| 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 | 58.7 | Low | 78.4 | Confident | 132 Ų | 132 | 121.7 Ų | 121.7 | 65% | 0.65 | 61% | 0.608 | S | S | * | * | 0 | 131.7 | 0 | -87.6 | 163.7 | 69.1 | 0 | 0 | 109.9 | Q5 R6 L9 | M1-Q5 HydrophobicContact CB-CB 4.18Å; M1-Q5 HydrophobicContact CE-CB 3.75Å; M1-Q5 WeakPolarHBondContact CE-O 3.45Å; M1-Q5 HydrophobicContact CG-CB 4.1Å; M1-R6 HydrophobicContact CB-CG 4.28Å; M1-R6 HydrophobicContact CE-CB 4.48Å; M1-R6 HydrophobicContact CE-CG 3.89Å; M1-L9 HydrophobicContact CE-CB 4.41Å; M1-L9 HydrophobicContact CE-CD2 4.39Å | |||
| 2 | K | 79.6 | Confident | 78.9 | Confident | 173 Ų | 173 | 119.2 Ų | 119.2 | 75% | 0.752 | 60% | 0.596 | S | S | * | * | trans | -67.9 | 150.5 | 171.5 | -68.3 | 179.7 | 177 | 178.1 | 0 | 109.4 | K4 Q5 R6 | K2-K4 PolarHBondContact O-N 3.49Å; K2-Q5 WeakPolarHBondContact O-CB 3.36Å; K2-Q5 PolarHBondContact O-N 3.06Å; K2-R6 PolarHBondContact O-N 3.12Å | ||
| 3 | L | 78.6 | Confident | 79.4 | Confident | 140 Ų | 140 | 117.8 Ų | 117.8 | 73% | 0.733 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -47.5 | -40.3 | -177 | -172.7 | 68.4 | 0 | 0 | 0 | 113.2 | Q5 R6 V7 | L3-Q5 VanDerWaalsContact C-N 3.34Å; L3-Q5 PolarHBondContact O-N 3.35Å; L3-R6 PolarHBondContact O-N 3.17Å; L3-R6 VanDerWaalsContact O-N 3.12Å; L3-V7 PolarHBondContact O-N 3.17Å |
| 4 | K | 73.8 | Confident | 79.8 | Confident | 180 Ų | 180 | 117 Ų | 117 | 78% | 0.783 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -57.2 | -39.5 | 175.2 | -72.7 | -171.7 | 175.2 | -174.3 | 0 | 113.9 | K2 R6 V7 V8 | K2-K4 PolarHBondContact O-N 3.49Å; K4-R6 VanDerWaalsContact C-N 3.35Å; K4-V7 PolarHBondContact O-N 2.85Å; K4-V8 WeakPolarHBondContact O-CG2 3.48Å; K4-V8 PolarHBondContact O-N 2.87Å |
| 5 | Q | 76.2 | Confident | 79.8 | Confident | 109 Ų | 109 | 114.1 Ų | 114.1 | 51% | 0.509 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.6 | -32 | 177.8 | -76.2 | 174.9 | -45 | 0 | 0 | 112.2 | M1 K2 L3 L9 | M1-Q5 HydrophobicContact CB-CB 4.18Å; M1-Q5 HydrophobicContact CE-CB 3.75Å; M1-Q5 WeakPolarHBondContact CE-O 3.45Å; M1-Q5 HydrophobicContact CG-CB 4.1Å; K2-Q5 WeakPolarHBondContact O-CB 3.36Å; K2-Q5 PolarHBondContact O-N 3.06Å; L3-Q5 VanDerWaalsContact C-N 3.34Å; L3-Q5 PolarHBondContact O-N 3.35Å; Q5-L9 WeakPolarHBondContact O-CB 3.27Å; Q5-L9 PolarHBondContact O-N 3.37Å; Q5-L9 VanDerWaalsContact O-N 3.11Å |
| 6 | R | 80.8 | Confident | 79.8 | Confident | 153 Ų | 153 | 112.8 Ų | 112.8 | 58% | 0.577 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.6 | -40.3 | 176.9 | -71.3 | -176.7 | 174.5 | 171.8 | -1.7 | 111.6 | M1 K2 L3 K4 L9 L10 | M1-R6 HydrophobicContact CB-CG 4.28Å; M1-R6 HydrophobicContact CE-CB 4.48Å; M1-R6 HydrophobicContact CE-CG 3.89Å; K2-R6 PolarHBondContact O-N 3.12Å; L3-R6 PolarHBondContact O-N 3.17Å; L3-R6 VanDerWaalsContact O-N 3.12Å; K4-R6 VanDerWaalsContact C-N 3.35Å; R6-L9 PolarHBondContact O-N 2.97Å; R6-L10 PolarHBondContact O-N 3.34Å |
| 7 | V | 81.3 | Confident | 79.7 | Confident | 94 Ų | 94 | 114 Ų | 114 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.3 | -43.5 | 177.8 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | L3 K4 L10 A11 | L3-V7 PolarHBondContact O-N 3.17Å; K4-V7 PolarHBondContact O-N 2.85Å; V7-L10 PolarHBondContact O-N 3.48Å; V7-A11 PolarHBondContact O-N 3.01Å |
| 8 | V | 83.1 | Confident | 79.5 | Confident | 87 Ų | 87 | 112.5 Ų | 112.5 | 53% | 0.527 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.4 | -42.8 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | K4 L10 A11 I12 | K4-V8 WeakPolarHBondContact O-CG2 3.48Å; K4-V8 PolarHBondContact O-N 2.87Å; V8-L10 VanDerWaalsContact C-N 3.34Å; V8-L10 PolarHBondContact O-N 2.68Å; V8-A11 PolarHBondContact O-N 3.44Å; V8-I12 HydrophobicContact CG1-CD1 3.85Å; V8-I12 VanDerWaalsContact O-CG1 3.32Å; V8-I12 WeakPolarHBondContact O-CG1 3.4Å; V8-I12 PolarHBondContact O-N 3.46Å |
| 9 | L | 83.8 | Confident | 79 | Confident | 95 Ų | 95 | 114.3 Ų | 114.3 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.4 | -40.6 | 177.8 | -152.8 | 86.8 | 0 | 0 | 0 | 111.9 | M1 Q5 R6 I12 L13 | M1-L9 HydrophobicContact CE-CB 4.41Å; M1-L9 HydrophobicContact CE-CD2 4.39Å; Q5-L9 WeakPolarHBondContact O-CB 3.27Å; Q5-L9 PolarHBondContact O-N 3.37Å; Q5-L9 VanDerWaalsContact O-N 3.11Å; R6-L9 PolarHBondContact O-N 2.97Å; L9-I12 PolarHBondContact O-N 3.34Å; L9-L13 WeakPolarHBondContact O-CB 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 3.02Å |
| 10 | L | 83.6 | Confident | 78.3 | Confident | 121 Ų | 121 | 112.1 Ų | 112.1 | 63% | 0.634 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.1 | -41.6 | 176.4 | -117.2 | 120.4 | 0 | 0 | 0 | 112 | R6 V7 V8 L13 L14 | R6-L10 PolarHBondContact O-N 3.34Å; V7-L10 PolarHBondContact O-N 3.48Å; V8-L10 VanDerWaalsContact C-N 3.34Å; V8-L10 PolarHBondContact O-N 2.68Å; L10-L13 PolarHBondContact O-N 3.43Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 PolarHBondContact O-N 2.94Å |
| 11 | A | 82.9 | Confident | 77.6 | Confident | 55 Ų | 55 | 112.4 Ų | 112.4 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.2 | -43 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V7 V8 L14 V15 | V7-A11 PolarHBondContact O-N 3.01Å; V8-A11 PolarHBondContact O-N 3.44Å; A11-L14 PolarHBondContact O-N 3.32Å; A11-V15 VanDerWaalsContact O-CG2 3.27Å; A11-V15 WeakPolarHBondContact O-CG2 3.4Å; A11-V15 PolarHBondContact O-N 2.97Å |
| 12 | I | 85.1 | Confident | 77.7 | Confident | 91 Ų | 91 | 109.6 Ų | 109.6 | 47% | 0.467 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.4 | -45.2 | 176.3 | -67.9 | 167.4 | 0 | 0 | 0 | 110.8 | V8 L9 L14 V15 I16 | V8-I12 HydrophobicContact CG1-CD1 3.85Å; V8-I12 VanDerWaalsContact O-CG1 3.32Å; V8-I12 WeakPolarHBondContact O-CG1 3.4Å; V8-I12 PolarHBondContact O-N 3.46Å; L9-I12 PolarHBondContact O-N 3.34Å; I12-L14 VanDerWaalsContact C-N 3.33Å; I12-L14 PolarHBondContact O-N 3.2Å; I12-V15 PolarHBondContact O-N 3.19Å; I12-I16 HydrophobicContact CG2-CD1 3.71Å; I12-I16 HydrophobicContact CG2-CG1 4.38Å; I12-I16 VanDerWaalsContact O-CG1 3.27Å; I12-I16 WeakPolarHBondContact O-CG1 3.49Å; I12-I16 PolarHBondContact O-N 3.31Å |
| 13 | L | 85.4 | Confident | 76.8 | Confident | 102 Ų | 102 | 108.2 Ų | 108.2 | 53% | 0.534 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 177.2 | -75.1 | 167.8 | 0 | 0 | 0 | 112.3 | L9 L10 I16 F17 | L9-L13 WeakPolarHBondContact O-CB 3.32Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 3.02Å; L10-L13 PolarHBondContact O-N 3.43Å; L13-I16 PolarHBondContact O-N 3.11Å; L13-F17 VanDerWaalsContact O-CB 3.23Å; L13-F17 WeakPolarHBondContact O-CB 3.43Å; L13-F17 PolarHBondContact O-N 2.87Å |
| 14 | L | 83.8 | Confident | 75.6 | Confident | 106 Ų | 106 | 106.7 Ų | 106.7 | 56% | 0.555 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65 | -44.2 | 176.1 | -159 | 96.7 | 0 | 0 | 0 | 111.1 | L10 A11 I12 F17 I18 | L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 PolarHBondContact O-N 2.94Å; A11-L14 PolarHBondContact O-N 3.32Å; I12-L14 VanDerWaalsContact C-N 3.33Å; I12-L14 PolarHBondContact O-N 3.2Å; L14-F17 PolarHBondContact O-N 2.95Å; L14-I18 HydrophobicContact CD2-CD1 4.03Å; L14-I18 HydrophobicContact CG-CD1 4.18Å; L14-I18 WeakPolarHBondContact O-CB 3.19Å; L14-I18 WeakPolarHBondContact O-CD1 3.34Å; L14-I18 WeakPolarHBondContact O-CG1 3.47Å; L14-I18 PolarHBondContact O-N 3.08Å |
| 15 | V | 80.2 | Confident | 74.8 | Confident | 74 Ų | 74 | 101.7 Ų | 101.7 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 175.8 | 171 | 0 | 0 | 0 | 0 | 110.4 | A11 I12 F17 I18 F19 | A11-V15 VanDerWaalsContact O-CG2 3.27Å; A11-V15 WeakPolarHBondContact O-CG2 3.4Å; A11-V15 PolarHBondContact O-N 2.97Å; I12-V15 PolarHBondContact O-N 3.19Å; V15-F17 VanDerWaalsContact C-N 3.31Å; V15-F17 PolarHBondContact O-N 3.31Å; V15-I18 PolarHBondContact O-N 3.16Å; V15-F19 HydrophobicContact CG1-CD2 3.61Å; V15-F19 HydrophobicContact CG1-CE2 3.68Å; V15-F19 VanDerWaalsContact O-CD2 3.27Å; V15-F19 WeakPolarHBondContact O-CD2 3.47Å; V15-F19 PolarHBondContact O-N 2.83Å |
| 16 | I | 80.7 | Confident | 73.8 | Confident | 92 Ų | 92 | 100.6 Ų | 100.6 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 176.7 | -68.3 | 167.7 | 0 | 0 | 0 | 110.8 | I12 L13 F19 T20 | I12-I16 HydrophobicContact CG2-CD1 3.71Å; I12-I16 HydrophobicContact CG2-CG1 4.38Å; I12-I16 VanDerWaalsContact O-CG1 3.27Å; I12-I16 WeakPolarHBondContact O-CG1 3.49Å; I12-I16 PolarHBondContact O-N 3.31Å; L13-I16 PolarHBondContact O-N 3.11Å; I16-F19 PolarHBondContact O-N 3.17Å; I16-T20 WeakPolarHBondContact O-CB 3.27Å; I16-T20 PolarHBondContact O-N 2.97Å; I16-T20 PolarHBondContact O-OG1 3.27Å |
| 17 | F | 78.2 | Confident | 72.6 | Confident | 134 Ų | 134 | 97.4 Ų | 97.4 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -41.5 | 178.7 | -175.6 | -98.4 | 0 | 0 | 0 | 112.1 | L13 L14 V15 T20 K21 | L13-F17 VanDerWaalsContact O-CB 3.23Å; L13-F17 WeakPolarHBondContact O-CB 3.43Å; L13-F17 PolarHBondContact O-N 2.87Å; L14-F17 PolarHBondContact O-N 2.95Å; V15-F17 VanDerWaalsContact C-N 3.31Å; V15-F17 PolarHBondContact O-N 3.31Å; F17-T20 WeakPolarHBondContact CA-OG1 3.39Å; F17-T20 PolarHBondContact O-OG1 2.97Å; F17-K21 HydrophobicContact CE1-CD 4.41Å; F17-K21 WeakPolarHBondContact O-CB 3.25Å; F17-K21 PolarHBondContact O-N 3.19Å |
| 18 | I | 74.9 | Confident | 71.4 | Confident | 87 Ų | 87 | 97.9 Ų | 97.9 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 174.8 | -69.3 | 163.8 | 0 | 0 | 0 | 109.9 | L14 V15 T20 K21 V22 | L14-I18 HydrophobicContact CD2-CD1 4.03Å; L14-I18 HydrophobicContact CG-CD1 4.18Å; L14-I18 WeakPolarHBondContact O-CB 3.19Å; L14-I18 WeakPolarHBondContact O-CD1 3.34Å; L14-I18 WeakPolarHBondContact O-CG1 3.47Å; L14-I18 PolarHBondContact O-N 3.08Å; V15-I18 PolarHBondContact O-N 3.16Å; I18-T20 PolarHBondContact O-N 2.84Å; I18-K21 PolarHBondContact O-N 3.34Å; I18-V22 HydrophobicContact CG2-CG2 4.41Å; I18-V22 WeakPolarHBondContact O-CB 3.46Å; I18-V22 VanDerWaalsContact O-CG2 3.26Å; I18-V22 WeakPolarHBondContact O-CG2 3.45Å; I18-V22 PolarHBondContact O-N 3.02Å |
| 19 | F | 70.6 | Confident | 70.3 | Confident | 147 Ų | 147 | 98.5 Ų | 98.5 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.3 | -42.7 | 179.3 | -87.2 | -75 | 0 | 0 | 0 | 112.9 | V15 I16 V22 F23 | V15-F19 HydrophobicContact CG1-CD2 3.61Å; V15-F19 HydrophobicContact CG1-CE2 3.68Å; V15-F19 VanDerWaalsContact O-CD2 3.27Å; V15-F19 WeakPolarHBondContact O-CD2 3.47Å; V15-F19 PolarHBondContact O-N 2.83Å; I16-F19 PolarHBondContact O-N 3.17Å; F19-V22 PolarHBondContact O-N 3.21Å; F19-F23 VanDerWaalsContact O-CB 3.24Å; F19-F23 WeakPolarHBondContact O-CB 3.3Å; F19-F23 PolarHBondContact O-N 3.33Å |
| 20 | T | 65.4 | Low | 69.2 | Low | 69 Ų | 69 | 98.5 Ų | 98.5 | 42% | 0.423 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 176.3 | 32.2 | 0 | 0 | 0 | 0 | 111.8 | I16 F17 I18 L24 | I16-T20 WeakPolarHBondContact O-CB 3.27Å; I16-T20 PolarHBondContact O-N 2.97Å; I16-T20 PolarHBondContact O-OG1 3.27Å; F17-T20 WeakPolarHBondContact CA-OG1 3.39Å; F17-T20 PolarHBondContact O-OG1 2.97Å; I18-T20 PolarHBondContact O-N 2.84Å; T20-L24 VanDerWaalsContact O-CB 3.26Å; T20-L24 WeakPolarHBondContact O-CB 3.47Å; T20-L24 WeakPolarHBondContact O-CD1 3.37Å; T20-L24 VanDerWaalsContact O-CG 3.28Å; T20-L24 WeakPolarHBondContact O-CG 3.27Å; T20-L24 PolarHBondContact O-N 3.38Å |
| 21 | K | 63.4 | Low | 68.6 | Low | 119 Ų | 119 | 95.4 Ų | 95.4 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 177 | -163.8 | -174.2 | -179.2 | -169.6 | 0 | 111.5 | F17 I18 L24 I25 | F17-K21 HydrophobicContact CE1-CD 4.41Å; F17-K21 WeakPolarHBondContact O-CB 3.25Å; F17-K21 PolarHBondContact O-N 3.19Å; I18-K21 PolarHBondContact O-N 3.34Å; K21-L24 PolarHBondContact O-N 3.07Å; K21-I25 HydrophobicContact CG-CD1 3.9Å; K21-I25 WeakPolarHBondContact O-CB 3.33Å; K21-I25 WeakPolarHBondContact O-CD1 3.38Å; K21-I25 WeakPolarHBondContact O-CG1 3.46Å; K21-I25 PolarHBondContact O-N 2.9Å |
| 22 | V | 61.2 | Low | 68.2 | Low | 73 Ų | 73 | 95 Ų | 95 | 44% | 0.442 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 175.4 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | I18 F19 L24 I25 D26 | I18-V22 HydrophobicContact CG2-CG2 4.41Å; I18-V22 WeakPolarHBondContact O-CB 3.46Å; I18-V22 VanDerWaalsContact O-CG2 3.26Å; I18-V22 WeakPolarHBondContact O-CG2 3.45Å; I18-V22 PolarHBondContact O-N 3.02Å; F19-V22 PolarHBondContact O-N 3.21Å; V22-L24 VanDerWaalsContact C-N 3.33Å; V22-L24 PolarHBondContact O-N 2.81Å; V22-I25 PolarHBondContact O-N 3.31Å; V22-I25 VanDerWaalsContact O-N 3.16Å; V22-D26 WeakPolarHBondContact CG1-OD2 3.39Å; V22-D26 VanDerWaalsContact O-CG 3.31Å; V22-D26 PolarHBondContact O-N 3.45Å |
| 23 | F | 59.7 | Low | 67.8 | Low | 144 Ų | 144 | 91.6 Ų | 91.6 | 63% | 0.632 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.3 | -34.6 | -178.7 | -157.6 | -95.8 | 0 | 0 | 0 | 113.4 | F19 N27 | F19-F23 VanDerWaalsContact O-CB 3.24Å; F19-F23 WeakPolarHBondContact O-CB 3.3Å; F19-F23 PolarHBondContact O-N 3.33Å; F23-N27 WeakPolarHBondContact CD1-ND2 3.41Å; F23-N27 WeakPolarHBondContact CE1-ND2 3.27Å; F23-N27 WeakPolarHBondContact O-CB 3.2Å; F23-N27 PolarHBondContact O-N 3.48Å; F23-N27 PolarHBondContact O-ND2 3.24Å |
| 24 | L | 53.3 | Low | 67.5 | Low | 109 Ų | 109 | 90 Ų | 90 | 57% | 0.571 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.6 | -41.6 | 174.6 | -81.1 | 162.5 | 0 | 0 | 0 | 111.8 | T20 K21 V22 L28 | T20-L24 VanDerWaalsContact O-CB 3.26Å; T20-L24 WeakPolarHBondContact O-CB 3.47Å; T20-L24 WeakPolarHBondContact O-CD1 3.37Å; T20-L24 VanDerWaalsContact O-CG 3.28Å; T20-L24 WeakPolarHBondContact O-CG 3.27Å; T20-L24 PolarHBondContact O-N 3.38Å; K21-L24 PolarHBondContact O-N 3.07Å; V22-L24 VanDerWaalsContact C-N 3.33Å; V22-L24 PolarHBondContact O-N 2.81Å; L24-L28 WeakPolarHBondContact O-CB 3.11Å; L24-L28 WeakPolarHBondContact O-CD1 3.35Å; L24-L28 WeakPolarHBondContact O-CG 3.08Å; L24-L28 PolarHBondContact O-N 3.39Å |
| 25 | I | 57.5 | Low | 67.5 | Low | 75 Ų | 75 | 91 Ų | 91 | 39% | 0.385 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.8 | -49 | 178.4 | -68.7 | 166.2 | 0 | 0 | 0 | 110.2 | K21 V22 N27 L28 D29 | K21-I25 HydrophobicContact CG-CD1 3.9Å; K21-I25 WeakPolarHBondContact O-CB 3.33Å; K21-I25 WeakPolarHBondContact O-CD1 3.38Å; K21-I25 WeakPolarHBondContact O-CG1 3.46Å; K21-I25 PolarHBondContact O-N 2.9Å; V22-I25 PolarHBondContact O-N 3.31Å; V22-I25 VanDerWaalsContact O-N 3.16Å; I25-N27 VanDerWaalsContact C-N 3.29Å; I25-N27 PolarHBondContact O-N 2.88Å; I25-L28 WeakPolarHBondContact O-CB 3.23Å; I25-L28 PolarHBondContact O-N 3.34Å; I25-D29 PolarHBondContact O-N 2.89Å |
| 26 | D | 55.7 | Low | 67.9 | Low | 85 Ų | 85 | 93.5 Ų | 93.5 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.7 | -40.3 | 179.1 | -67.4 | -19.3 | 0 | 0 | 0 | 111.9 | V22 T30 | V22-D26 WeakPolarHBondContact CG1-OD2 3.39Å; V22-D26 VanDerWaalsContact O-CG 3.31Å; V22-D26 PolarHBondContact O-N 3.45Å; D26-T30 VanDerWaalsContact O-CB 3.3Å; D26-T30 WeakPolarHBondContact O-CB 3.34Å; D26-T30 PolarHBondContact O-N 2.85Å; D26-T30 PolarHBondContact O-OG1 2.02Å |
| 27 | N | 55.8 | Low | 68.1 | Low | 86 Ų | 86 | 90 Ų | 90 | 46% | 0.46 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.6 | -36.3 | 175.9 | -81.6 | -54.4 | 0 | 0 | 0 | 113.1 | F23 I25 S31 | F23-N27 WeakPolarHBondContact CD1-ND2 3.41Å; F23-N27 WeakPolarHBondContact CE1-ND2 3.27Å; F23-N27 WeakPolarHBondContact O-CB 3.2Å; F23-N27 PolarHBondContact O-N 3.48Å; F23-N27 PolarHBondContact O-ND2 3.24Å; I25-N27 VanDerWaalsContact C-N 3.29Å; I25-N27 PolarHBondContact O-N 2.88Å; N27-S31 WeakPolarHBondContact O-CB 3.5Å; N27-S31 PolarHBondContact O-N 3.14Å |
| 28 | L | 55.2 | Low | 68.6 | Low | 105 Ų | 105 | 87.6 Ų | 87.6 | 55% | 0.55 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 175.9 | -84.3 | 156.7 | 0 | 0 | 0 | 111.2 | L24 I25 S31 A32 | L24-L28 WeakPolarHBondContact O-CB 3.11Å; L24-L28 WeakPolarHBondContact O-CD1 3.35Å; L24-L28 WeakPolarHBondContact O-CG 3.08Å; L24-L28 PolarHBondContact O-N 3.39Å; I25-L28 WeakPolarHBondContact O-CB 3.23Å; I25-L28 PolarHBondContact O-N 3.34Å; L28-S31 WeakPolarHBondContact O-CB 3.01Å; L28-S31 PolarHBondContact O-N 2.9Å; L28-A32 WeakPolarHBondContact O-CB 3.21Å; L28-A32 PolarHBondContact O-N 2.97Å |
| 29 | D | 59.8 | Low | 69.4 | Low | 100 Ų | 100 | 91.8 Ų | 91.8 | 54% | 0.535 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.6 | -43.6 | 179.5 | -70.9 | -17.2 | 0 | 0 | 0 | 111.2 | I25 S31 A32 A33 | I25-D29 PolarHBondContact O-N 2.89Å; D29-S31 VanDerWaalsContact C-N 3.29Å; D29-S31 PolarHBondContact O-N 3.09Å; D29-A32 PolarHBondContact O-N 2.88Å; D29-A32 VanDerWaalsContact O-N 3.14Å; D29-A33 WeakPolarHBondContact O-CB 3.3Å; D29-A33 PolarHBondContact O-N 2.85Å |
| 30 | T | 61.7 | Low | 70.4 | Confident | 95 Ų | 95 | 85.3 Ų | 85.3 | 58% | 0.583 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.8 | -40 | 172.7 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | D26 N34 | D26-T30 VanDerWaalsContact O-CB 3.3Å; D26-T30 WeakPolarHBondContact O-CB 3.34Å; D26-T30 PolarHBondContact O-N 2.85Å; D26-T30 PolarHBondContact O-OG1 2.02Å; T30-N34 WeakPolarHBondContact O-CB 3.28Å; T30-N34 PolarHBondContact O-N 3.32Å; T30-N34 VanDerWaalsContact O-N 3.12Å |
| 31 | S | 70.4 | Confident | 71.7 | Confident | 55 Ų | 55 | 83.1 Ų | 83.1 | 39% | 0.385 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69 | -34 | 175.9 | 178.6 | 0 | 0 | 0 | 0 | 113.1 | N27 L28 D29 R35 | N27-S31 WeakPolarHBondContact O-CB 3.5Å; N27-S31 PolarHBondContact O-N 3.14Å; L28-S31 WeakPolarHBondContact O-CB 3.01Å; L28-S31 PolarHBondContact O-N 2.9Å; D29-S31 VanDerWaalsContact C-N 3.29Å; D29-S31 PolarHBondContact O-N 3.09Å; S31-R35 WeakPolarHBondContact O-CG 3.4Å; S31-R35 PolarHBondContact O-N 2.96Å; S31-R35 PolarHBondContact O-NE 3.23Å; S31-R35 PolarHBondContact OG-NH2 3.11Å |
| 32 | A | 74.9 | Confident | 73.1 | Confident | 46 Ų | 46 | 83.3 Ų | 83.3 | 38% | 0.38 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.5 | -49.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | L28 D29 N34 R35 E36 | L28-A32 WeakPolarHBondContact O-CB 3.21Å; L28-A32 PolarHBondContact O-N 2.97Å; D29-A32 PolarHBondContact O-N 2.88Å; D29-A32 VanDerWaalsContact O-N 3.14Å; A32-N34 PolarHBondContact O-N 3.28Å; A32-R35 WeakPolarHBondContact O-CB 3.08Å; A32-R35 PolarHBondContact O-N 3.17Å; A32-R35 VanDerWaalsContact O-N 3.08Å; A32-E36 PolarHBondContact O-N 3.24Å |
| 33 | A | 76.2 | Confident | 74.7 | Confident | 20 Ų | 20 | 85 Ų | 85 | 17% | 0.165 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D29 R35 E36 D37 | D29-A33 WeakPolarHBondContact O-CB 3.3Å; D29-A33 PolarHBondContact O-N 2.85Å; A33-R35 VanDerWaalsContact C-N 3.34Å; A33-R35 PolarHBondContact O-N 3.44Å; A33-E36 WeakPolarHBondContact O-CB 3.46Å; A33-E36 PolarHBondContact O-N 3.07Å; A33-D37 PolarHBondContact O-N 2.72Å |
| 34 | N | 79 | Confident | 76.3 | Confident | 70 Ų | 70 | 79.2 Ų | 79.2 | 37% | 0.374 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.2 | -35.9 | 175.1 | -170.6 | 23.1 | 0 | 0 | 0 | 112.4 | T30 A32 E36 D37 Q38 Y344 | T30-N34 WeakPolarHBondContact O-CB 3.28Å; T30-N34 PolarHBondContact O-N 3.32Å; T30-N34 VanDerWaalsContact O-N 3.12Å; A32-N34 PolarHBondContact O-N 3.28Å; N34-E36 VanDerWaalsContact C-N 3.32Å; N34-D37 PolarHBondContact O-N 3.01Å; N34-Q38 WeakPolarHBondContact O-CG 3.21Å; N34-Q38 PolarHBondContact O-N 2.86Å; N34-Q38 VanDerWaalsContact O-N 3.09Å; N34-Y344 PolarHBondContact OD1-OH 3.42Å |
| 35 | R | 84.8 | Confident | 78.3 | Confident | 126 Ų | 126 | 77.1 Ų | 77.1 | 48% | 0.475 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.1 | -34.9 | 174.3 | -79.8 | -179.1 | -74.9 | -173.9 | -1 | 112 | S31 A32 A33 R39 | S31-R35 WeakPolarHBondContact O-CG 3.4Å; S31-R35 PolarHBondContact O-N 2.96Å; S31-R35 PolarHBondContact O-NE 3.23Å; S31-R35 PolarHBondContact OG-NH2 3.11Å; A32-R35 WeakPolarHBondContact O-CB 3.08Å; A32-R35 PolarHBondContact O-N 3.17Å; A32-R35 VanDerWaalsContact O-N 3.08Å; A33-R35 VanDerWaalsContact C-N 3.34Å; A33-R35 PolarHBondContact O-N 3.44Å; R35-R39 WeakPolarHBondContact O-CG 3.15Å; R35-R39 PolarHBondContact O-N 3.25Å |
| 36 | E | 86.6 | Confident | 80 | Confident | 126 Ų | 126 | 79.2 Ų | 79.2 | 59% | 0.589 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66.8 | -46.8 | 174.9 | -172.5 | 169.8 | -171.9 | 0 | 0 | 111.7 | A32 A33 N34 Q38 R39 A40 | A32-E36 PolarHBondContact O-N 3.24Å; A33-E36 WeakPolarHBondContact O-CB 3.46Å; A33-E36 PolarHBondContact O-N 3.07Å; N34-E36 VanDerWaalsContact C-N 3.32Å; E36-Q38 VanDerWaalsContact C-N 3.27Å; E36-Q38 PolarHBondContact O-N 2.63Å; E36-R39 PolarHBondContact O-N 3.37Å; E36-A40 PolarHBondContact O-N 3.31Å |
| 37 | D | 86.6 | Confident | 81.6 | Confident | 18 Ų | 18 | 76.9 Ų | 76.9 | 10% | 0.096 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -56.3 | -43.3 | 175.1 | -68.4 | -16.7 | 0 | 0 | 0 | 111.6 | A33 N34 A40 F41 N340 Y344 R403 | A33-D37 PolarHBondContact O-N 2.72Å; N34-D37 PolarHBondContact O-N 3.01Å; D37-A40 PolarHBondContact O-N 3.42Å; D37-F41 VanDerWaalsContact O-CB 3.31Å; D37-F41 WeakPolarHBondContact O-CB 3.47Å; D37-F41 PolarHBondContact O-N 3.49Å; D37-N340 PolarHBondContact OD2-ND2 3.12Å; D37-Y344 HydrophobicContact CB-CE2 4.08Å; D37-R403 IonicContact OD1-NH1 3.95Å; D37-R403 PolarHBondContact OD1-NH1 3.22Å; D37-R403 VanDerWaalsContact OD1-NH1 3.1Å; D37-R403 IonicContact OD2-CZ 3.98Å; D37-R403 IonicContact OD2-NH1 3.93Å; D37-R403 PolarHBondContact OD2-NH1 3.04Å |
| 38 | Q | 88.9 | Confident | 83.4 | Confident | 84 Ų | 84 | 72.9 Ų | 72.9 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 175.4 | -73.9 | -179.3 | -16.2 | 0 | 0 | 111.4 | N34 E36 F41 H42 Y344 | N34-Q38 WeakPolarHBondContact O-CG 3.21Å; N34-Q38 PolarHBondContact O-N 2.86Å; N34-Q38 VanDerWaalsContact O-N 3.09Å; E36-Q38 VanDerWaalsContact C-N 3.27Å; E36-Q38 PolarHBondContact O-N 2.63Å; Q38-F41 WeakPolarHBondContact O-CB 3.43Å; Q38-F41 PolarHBondContact O-N 3.29Å; Q38-H42 PolarHBondContact O-N 2.86Å; Q38-H42 PolarHBondContact O-ND1 2.86Å; Q38-Y344 HydrophobicContact CG-CE1 4.3Å; Q38-Y344 HydrophobicContact CG-CE2 4.37Å; Q38-Y344 VanDerWaalsContact CG-OH 3.24Å; Q38-Y344 WeakPolarHBondContact CG-OH 3.38Å |
| 39 | R | 91.2 | Very high | 85.1 | Confident | 175 Ų | 175 | 76 Ų | 76 | 66% | 0.66 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.4 | -46.3 | 178.4 | -73.6 | 172.6 | -176.6 | 176.8 | 0.9 | 111.5 | R35 E36 F41 H42 R43 | R35-R39 WeakPolarHBondContact O-CG 3.15Å; R35-R39 PolarHBondContact O-N 3.25Å; E36-R39 PolarHBondContact O-N 3.37Å; R39-F41 VanDerWaalsContact C-N 3.29Å; R39-F41 PolarHBondContact O-N 3.07Å; R39-H42 PolarHBondContact O-N 3.37Å; R39-R43 WeakPolarHBondContact O-CG 3.47Å; R39-R43 PolarHBondContact O-N 2.91Å |
| 40 | A | 90.6 | Very high | 86.5 | Confident | 11 Ų | 11 | 72.2 Ų | 72.2 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | E36 D37 R43 M44 E79 | E36-A40 PolarHBondContact O-N 3.31Å; D37-A40 PolarHBondContact O-N 3.42Å; A40-R43 PolarHBondContact O-N 3.36Å; A40-M44 VanDerWaalsContact O-CB 3.3Å; A40-M44 WeakPolarHBondContact O-CB 3.39Å; A40-M44 PolarHBondContact O-N 2.82Å; A40-E79 WeakPolarHBondContact CA-OE1 3.34Å; A40-E79 WeakPolarHBondContact CB-OE1 3.3Å |
| 41 | F | 93.2 | Very high | 87.9 | Confident | 23 Ų | 23 | 74.7 Ų | 74.7 | 10% | 0.101 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 172.8 | -175.4 | -96.2 | 0 | 0 | 0 | 113.2 | D37 Q38 R39 M44 M45 R341 Y344 L345 V349 | D37-F41 VanDerWaalsContact O-CB 3.31Å; D37-F41 WeakPolarHBondContact O-CB 3.47Å; D37-F41 PolarHBondContact O-N 3.49Å; Q38-F41 WeakPolarHBondContact O-CB 3.43Å; Q38-F41 PolarHBondContact O-N 3.29Å; R39-F41 VanDerWaalsContact C-N 3.29Å; R39-F41 PolarHBondContact O-N 3.07Å; F41-M44 HydrophobicContact CD2-CE 3.54Å; F41-M44 HydrophobicContact CE2-CE 3.5Å; F41-M44 HydrophobicContact CG-CE 4.35Å; F41-M44 HydrophobicContact CZ-CE 4.32Å; F41-M44 PolarHBondContact O-N 3.3Å; F41-M45 HydrophobicContact CD1-CG 4.1Å; F41-M45 HydrophobicContact CE1-CG 3.66Å; F41-M45 HydrophobicContact CE1-SD 4.4Å; F41-M45 HydrophobicContact CE2-CG 4.3Å; F41-M45 HydrophobicContact CE2-SD 4.41Å; F41-M45 HydrophobicContact CZ-CG 3.76Å; F41-M45 HydrophobicContact CZ-SD 3.94Å; F41-M45 VanDerWaalsContact O-CG 3.31Å; F41-M45 WeakPolarHBondContact O-CG 3.49Å; F41-M45 PolarHBondContact O-N 3.06Å; F41-R341 VanDerWaalsContact CB-NH1 3.33Å; F41-Y344 HydrophobicContact CB-CD2 3.79Å; F41-Y344 HydrophobicContact CB-CE2 4.24Å; F41-Y344 HydrophobicContact CD1-CD2 4.36Å; F41-Y344 HydrophobicContact CD1-CG 4.39Å; F41-Y344 AromaticContact CD2-CD2 3.79Å; F41-Y344 HydrophobicContact CD2-CD2 3.79Å; F41-Y344 HydrophobicContact CD2-CG 4.12Å; F41-Y344 VanDerWaalsContact CE2-CB 3.42Å; F41-Y344 HydrophobicContact CE2-CG 4.44Å; F41-Y344 AromaticContact CG-CD2 3.71Å; F41-Y344 HydrophobicContact CG-CD2 3.71Å; F41-Y344 HydrophobicContact CG-CG 4.12Å; F41-L345 HydrophobicContact CE2-CD2 3.79Å; F41-L345 HydrophobicContact CE2-CG 4.01Å; F41-L345 HydrophobicContact CZ-CD2 4.29Å; F41-V349 HydrophobicContact CZ-CG1 4.03Å |
| 42 | H | 93.9 | Very high | 88.9 | Confident | 123 Ų | 123 | 73.8 Ų | 73.8 | 57% | 0.569 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.8 | -43.9 | 177.2 | -73.2 | 82.3 | 0 | 0 | 0 | 111.7 | Q38 R39 M44 M45 T46 | Q38-H42 PolarHBondContact O-N 2.86Å; Q38-H42 PolarHBondContact O-ND1 2.86Å; R39-H42 PolarHBondContact O-N 3.37Å; H42-M44 PolarHBondContact O-N 3.03Å; H42-M45 PolarHBondContact O-N 3.29Å; H42-T46 WeakPolarHBondContact O-CG2 3.37Å; H42-T46 PolarHBondContact O-N 2.95Å; H42-T46 PolarHBondContact O-OG1 3.2Å |
| 43 | R | 93 | Very high | 89.6 | Confident | 108 Ų | 108 | 73.2 Ų | 73.2 | 41% | 0.408 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58 | -49.6 | 175.3 | -74.4 | -166.1 | -63.4 | -154 | -5.2 | 111.6 | R39 A40 M45 T46 G47 E79 E80 | R39-R43 WeakPolarHBondContact O-CG 3.47Å; R39-R43 PolarHBondContact O-N 2.91Å; A40-R43 PolarHBondContact O-N 3.36Å; R43-M45 PolarHBondContact O-N 3.47Å; R43-T46 WeakPolarHBondContact CA-OG1 3.26Å; R43-T46 PolarHBondContact O-N 3.29Å; R43-T46 PolarHBondContact O-OG1 2.93Å; R43-G47 PolarHBondContact O-N 3.37Å; R43-E79 IonicContact CZ-OE1 3.75Å; R43-E79 VanDerWaalsContact CZ-OE1 3.29Å; R43-E79 IonicContact NE-OE1 2.82Å; R43-E79 PolarHBondContact NE-OE1 3.49Å; R43-E79 VanDerWaalsContact NH2-CD 3.35Å; R43-E79 IonicContact NH2-OE1 3.97Å; R43-E79 PolarHBondContact NH2-OE1 3.25Å; R43-E79 IonicContact NH2-OE2 3.5Å; R43-E79 PolarHBondContact NH2-OE2 3.43Å; R43-E80 IonicContact CZ-OE1 3.81Å; R43-E80 IonicContact NE-OE1 3.71Å; R43-E80 IonicContact NH1-OE1 2.59Å; R43-E80 PolarHBondContact NH1-OE1 2.91Å; R43-E80 VanDerWaalsContact NH1-OE1 3.11Å |
| 44 | M | 94.4 | Very high | 90.1 | Very high | 24 Ų | 24 | 76.9 Ų | 76.9 | 12% | 0.118 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -54.2 | -51.4 | 175.2 | 176.2 | -80.1 | -67.9 | 0 | 0 | 110.9 | A40 F41 H42 T46 G47 L48 I156 | A40-M44 VanDerWaalsContact O-CB 3.3Å; A40-M44 WeakPolarHBondContact O-CB 3.39Å; A40-M44 PolarHBondContact O-N 2.82Å; F41-M44 HydrophobicContact CD2-CE 3.54Å; F41-M44 HydrophobicContact CE2-CE 3.5Å; F41-M44 HydrophobicContact CG-CE 4.35Å; F41-M44 HydrophobicContact CZ-CE 4.32Å; F41-M44 PolarHBondContact O-N 3.3Å; H42-M44 PolarHBondContact O-N 3.03Å; M44-T46 VanDerWaalsContact C-N 3.32Å; M44-T46 PolarHBondContact O-N 3.01Å; M44-G47 CarbonylContact O-C 3.58Å; M44-G47 PolarHBondContact O-N 3.37Å; M44-L48 HydrophobicContact CG-CD2 4.48Å; M44-L48 WeakPolarHBondContact O-CG 3.2Å; M44-L48 PolarHBondContact O-N 3.07Å; M44-L48 VanDerWaalsContact O-N 3.12Å; M44-L48 HydrophobicContact SD-CD1 4.26Å; M44-L48 HydrophobicContact SD-CD2 3.6Å; M44-L48 VanDerWaalsContact SD-CD2 3.6Å; M44-L48 HydrophobicContact SD-CG 4Å; M44-I156 WeakPolarHBondContact CE-O 3.34Å; M44-I156 HydrophobicContact SD-CG1 4.48Å |
| 45 | M | 95.2 | Very high | 90.2 | Very high | 64 Ų | 64 | 80.2 Ų | 80.2 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 179.8 | -72.9 | -61.8 | -63.8 | 0 | 0 | 112.6 | F41 H42 R43 G47 L48 V349 A353 | F41-M45 HydrophobicContact CD1-CG 4.1Å; F41-M45 HydrophobicContact CE1-CG 3.66Å; F41-M45 HydrophobicContact CE1-SD 4.4Å; F41-M45 HydrophobicContact CE2-CG 4.3Å; F41-M45 HydrophobicContact CE2-SD 4.41Å; F41-M45 HydrophobicContact CZ-CG 3.76Å; F41-M45 HydrophobicContact CZ-SD 3.94Å; F41-M45 VanDerWaalsContact O-CG 3.31Å; F41-M45 WeakPolarHBondContact O-CG 3.49Å; F41-M45 PolarHBondContact O-N 3.06Å; H42-M45 PolarHBondContact O-N 3.29Å; R43-M45 PolarHBondContact O-N 3.47Å; M45-G47 VanDerWaalsContact C-N 3.34Å; M45-L48 HydrophobicContact CE-CD1 4.07Å; M45-L48 HydrophobicContact SD-CD1 3.72Å; M45-V349 HydrophobicContact CE-CG1 4.28Å; M45-V349 HydrophobicContact SD-CG1 4.46Å; M45-A353 HydrophobicContact CE-CB 4.38Å; M45-A353 HydrophobicContact SD-CB 4.12Å |
| 46 | T | 92.4 | Very high | 90 | Very high | 119 Ų | 119 | 76.2 Ų | 76.2 | 73% | 0.73 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -68.9 | -31.1 | 176.2 | 54 | 0 | 0 | 0 | 0 | 113 | H42 R43 M44 | H42-T46 WeakPolarHBondContact O-CG2 3.37Å; H42-T46 PolarHBondContact O-N 2.95Å; H42-T46 PolarHBondContact O-OG1 3.2Å; R43-T46 WeakPolarHBondContact CA-OG1 3.26Å; R43-T46 PolarHBondContact O-N 3.29Å; R43-T46 PolarHBondContact O-OG1 2.93Å; M44-T46 VanDerWaalsContact C-N 3.32Å; M44-T46 PolarHBondContact O-N 3.01Å |
| 47 | G | 90.4 | Very high | 89.3 | Confident | 36 Ų | 36 | 74.1 Ų | 74.1 | 37% | 0.371 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 5.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R43 M44 M45 R155 | R43-G47 PolarHBondContact O-N 3.37Å; M44-G47 CarbonylContact O-C 3.58Å; M44-G47 PolarHBondContact O-N 3.37Å; M45-G47 VanDerWaalsContact C-N 3.34Å; G47-R155 PolarHBondContact O-NH2 3.32Å |
| 48 | L | 92.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 82.6 Ų | 82.6 | 2% | 0.016 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -64.4 | -42.9 | -179.3 | -73.5 | 178.5 | 0 | 0 | 0 | 112.5 | M44 M45 V50 I156 A353 A357 | M44-L48 HydrophobicContact CG-CD2 4.48Å; M44-L48 WeakPolarHBondContact O-CG 3.2Å; M44-L48 PolarHBondContact O-N 3.07Å; M44-L48 VanDerWaalsContact O-N 3.12Å; M44-L48 HydrophobicContact SD-CD1 4.26Å; M44-L48 HydrophobicContact SD-CD2 3.6Å; M44-L48 VanDerWaalsContact SD-CD2 3.6Å; M44-L48 HydrophobicContact SD-CG 4Å; M45-L48 HydrophobicContact CE-CD1 4.07Å; M45-L48 HydrophobicContact SD-CD1 3.72Å; L48-V50 PolarHBondContact O-N 2.9Å; L48-I156 HydrophobicContact CD2-CD1 4.34Å; L48-I156 HydrophobicContact CD2-CG1 3.52Å; L48-A353 HydrophobicContact CD1-CB 3.6Å; L48-A357 HydrophobicContact CB-CB 4.35Å; L48-A357 HydrophobicContact CD2-CB 4.17Å |
| 49 | R | 91.1 | Very high | 87.8 | Confident | 169 Ų | 169 | 80.5 Ų | 80.5 | 64% | 0.638 | 40% | 0.398 | S | S | * | . | trans | -79.3 | 109.2 | 179 | -70.6 | -174.6 | 176.4 | -173.4 | -1.3 | 109.1 | S356 | R49-S356 VanDerWaalsContact CG-OG 3.31Å; R49-S356 WeakPolarHBondContact CG-OG 3.36Å; R49-S356 PolarHBondContact NE-OG 3.41Å | ||
| 50 | V | 90.8 | Very high | 87.3 | Confident | 22 Ų | 22 | 81.1 Ų | 81.1 | 13% | 0.133 | 41% | 0.413 | C | S | . | . | trans | -109 | 112.1 | 176.6 | -179.7 | 0 | 0 | 0 | 0 | 107.5 | L48 L84 | L48-V50 PolarHBondContact O-N 2.9Å; V50-L84 HydrophobicContact CG1-CB 4.36Å; V50-L84 HydrophobicContact CG1-CG 4.18Å; V50-L84 HydrophobicContact CG2-CD2 3.91Å; V50-L84 HydrophobicContact CG2-CG 4.43Å | ||
| 51 | E | 90 | Very high | 87.2 | Confident | 147 Ų | 147 | 83.9 Ų | 83.9 | 69% | 0.687 | 42% | 0.424 | S | S | * | . | trans | -75.8 | 129.3 | 171.9 | -172.1 | 178.1 | 171.8 | 0 | 0 | 109.5 | A53 G85 | E51-A53 PolarHBondContact O-N 2.81Å; E51-G85 VanDerWaalsContact O-CA 3.29Å; E51-G85 WeakPolarHBondContact O-CA 3.4Å | ||
| 52 | L | 92.2 | Very high | 87.2 | Confident | 35 Ų | 35 | 84.6 Ų | 84.6 | 18% | 0.183 | 43% | 0.432 | C | S | . | . | trans | -80.1 | 71.8 | 178.7 | -63.5 | 172.1 | 0 | 0 | 0 | 110.5 | M88 H89 V166 H360 P362 | L52-M88 HydrophobicContact CD2-CB 3.21Å; L52-M88 HydrophobicContact CD2-CE 4.46Å; L52-M88 HydrophobicContact CD2-CG 4.4Å; L52-H89 HydrophobicContact CB-CB 4.16Å; L52-H89 PolarHBondContact O-ND1 2.74Å; L52-V166 HydrophobicContact CD1-CG2 4.44Å; L52-H360 WeakPolarHBondContact CD1-O 3.3Å; L52-P362 HydrophobicContact CD1-CG 3.76Å | ||
| 53 | A | 89.8 | Confident | 87.3 | Confident | 35 Ų | 35 | 79.7 Ų | 79.7 | 29% | 0.289 | 41% | 0.411 | S | S | . | . | trans | -101.4 | 140.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | E51 K55 A86 | E51-A53 PolarHBondContact O-N 2.81Å; A53-K55 PolarHBondContact O-N 2.62Å; A53-A86 WeakPolarHBondContact O-CA 3.41Å; A53-A86 PolarHBondContact O-N 2.94Å | ||
| 54 | P | 85.4 | Confident | 87.5 | Confident | 96 Ų | 96 | 75.4 Ų | 75.4 | 62% | 0.623 | 40% | 0.395 | S | S | * | . | trans | -71.3 | -0.3 | -178.3 | 30.2 | -36.6 | 0 | 0 | 0 | 114.3 | L56 | P54-L56 PolarHBondContact O-N 3.36Š| ||
| 55 | K | 81.8 | Confident | 87.5 | Confident | 140 Ų | 140 | 79 Ų | 79 | 61% | 0.609 | 41% | 0.412 | S | S | * | . | trans | -80.5 | 114.7 | -167.4 | -163.6 | -176.9 | -174 | -127.2 | 0 | 110.5 | A53 D57 | A53-K55 PolarHBondContact O-N 2.62Å; K55-D57 WeakPolarHBondContact CD-OD1 3.17Å; K55-D57 WeakPolarHBondContact CE-OD1 3.42Å; K55-D57 WeakPolarHBondContact CG-OD1 3.28Å; K55-D57 IonicContact NZ-OD1 2.68Å; K55-D57 PolarHBondContact NZ-OD1 3.18Å; K55-D57 IonicContact NZ-OD2 2.88Å; K55-D57 PolarHBondContact NZ-OD2 3.08Å | ||
| 56 | L | 81.1 | Confident | 87.6 | Confident | 42 Ų | 42 | 76.4 Ų | 76.4 | 22% | 0.22 | 40% | 0.399 | C | S | . | . | trans | -97.9 | 108.5 | 164.1 | -71.4 | 172 | 0 | 0 | 0 | 107.5 | P54 T59 P63 I66 E83 A86 | P54-L56 PolarHBondContact O-N 3.36Å; L56-T59 HydrophobicContact CB-CG2 3.92Å; L56-P63 HydrophobicContact CD1-CB 4.32Å; L56-I66 HydrophobicContact CD1-CD1 4.01Å; L56-I66 HydrophobicContact CD2-CD1 3.75Å; L56-I66 HydrophobicContact CG-CD1 4.48Å; L56-E83 HydrophobicContact CD2-CB 3.81Å; L56-E83 HydrophobicContact CD2-CG 3.86Å; L56-A86 HydrophobicContact CD2-CB 3.47Å; L56-A86 VanDerWaalsContact CD2-CB 3.47Å; L56-A86 HydrophobicContact CG-CB 3.79Å | ||
| 57 | D | 72.4 | Confident | 87.8 | Confident | 83 Ų | 83 | 71 Ų | 71 | 44% | 0.444 | 37% | 0.366 | S | S | . | . | trans | -80.2 | 133.2 | 178.6 | -79.2 | -28.8 | 0 | 0 | 0 | 110 | K55 T59 | K55-D57 WeakPolarHBondContact CD-OD1 3.17Å; K55-D57 WeakPolarHBondContact CE-OD1 3.42Å; K55-D57 WeakPolarHBondContact CG-OD1 3.28Å; K55-D57 IonicContact NZ-OD1 2.68Å; K55-D57 PolarHBondContact NZ-OD1 3.18Å; K55-D57 IonicContact NZ-OD2 2.88Å; K55-D57 PolarHBondContact NZ-OD2 3.08Å; D57-T59 PolarHBondContact O-N 2.81Å | ||
| 58 | H | 67.9 | Low | 88.1 | Confident | 195 Ų | 195 | 70.9 Ų | 70.9 | 90% | 0.903 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 63.9 | 23.8 | 169.8 | -52.3 | -70 | 0 | 0 | 0 | 117.5 | ||
| 59 | T | 74.8 | Confident | 88.3 | Confident | 40 Ų | 40 | 76.9 Ų | 76.9 | 25% | 0.245 | 39% | 0.39 | C | S | . | . | trans | -140.7 | 144.1 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 113.2 | L56 D57 Q61 I66 | L56-T59 HydrophobicContact CB-CG2 3.92Å; D57-T59 PolarHBondContact O-N 2.81Å; T59-Q61 VanDerWaalsContact OG1-CB 3.31Å; T59-Q61 WeakPolarHBondContact OG1-CB 3.47Å; T59-Q61 WeakPolarHBondContact OG1-CG 3.24Å; T59-Q61 PolarHBondContact OG1-N 3.43Å; T59-Q61 PolarHBondContact OG1-OE1 2.85Å; T59-I66 HydrophobicContact CG2-CD1 3.84Å | ||
| 60 | L | 81.3 | Confident | 88.6 | Confident | 188 Ų | 188 | 70.3 Ų | 70.3 | 98% | 0.984 | 37% | 0.365 | S | S | * | . | trans | -91.7 | -2.3 | 169.8 | -66.2 | 175.9 | 0 | 0 | 0 | 112.1 | ||||
| 61 | Q | 88.4 | Confident | 88.8 | Confident | 70 Ų | 70 | 69.6 Ų | 69.6 | 33% | 0.327 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -72.3 | 148.5 | -179.3 | -62.9 | 174.2 | -79 | 0 | 0 | 110.9 | T59 E65 I66 Q69 | T59-Q61 VanDerWaalsContact OG1-CB 3.31Å; T59-Q61 WeakPolarHBondContact OG1-CB 3.47Å; T59-Q61 WeakPolarHBondContact OG1-CG 3.24Å; T59-Q61 PolarHBondContact OG1-N 3.43Å; T59-Q61 PolarHBondContact OG1-OE1 2.85Å; Q61-E65 HydrophobicContact CB-CB 4.42Å; Q61-I66 HydrophobicContact CB-CD1 4.17Å; Q61-I66 HydrophobicContact CB-CG1 3.92Å; Q61-Q69 VanDerWaalsContact NE2-CD 3.33Å |
| 62 | S | 93.2 | Very high | 89 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 26% | 0.259 | 34% | 0.344 | S | S | . | . | trans | -68.1 | 152.8 | 168.3 | 68.4 | 0 | 0 | 0 | 0 | 110.8 | W64 E65 I66 | S62-W64 PolarHBondContact O-N 3.25Å; S62-W64 VanDerWaalsContact O-N 3.12Å; S62-E65 WeakPolarHBondContact CB-OE2 3.45Å; S62-E65 PolarHBondContact N-OE2 3.46Å; S62-E65 PolarHBondContact O-N 2.98Å; S62-E65 VanDerWaalsContact O-N 3.16Å; S62-E65 VanDerWaalsContact OG-CD 3.26Å; S62-E65 VanDerWaalsContact OG-CG 3.25Å; S62-E65 WeakPolarHBondContact OG-CG 3.34Å; S62-E65 PolarHBondContact OG-N 3.34Å; S62-E65 PolarHBondContact OG-OE2 2.93Å; S62-I66 PolarHBondContact O-N 3.15Å | ||
| 63 | P | 95.6 | Very high | 88.9 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 13% | 0.13 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.5 | -27.6 | 173.8 | 22.1 | -32.3 | 0 | 0 | 0 | 112.5 | L56 A67 I87 A90 | L56-P63 HydrophobicContact CD1-CB 4.32Å; P63-A67 WeakPolarHBondContact O-CB 3.48Å; P63-A67 PolarHBondContact O-N 3.34Å; P63-I87 HydrophobicContact CB-CB 4.42Å; P63-I87 HydrophobicContact CB-CG1 3.79Å; P63-A90 HydrophobicContact CB-CB 4.31Å; P63-A90 HydrophobicContact CG-CB 3.86Å |
| 64 | W | 96.6 | Very high | 89.1 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.9 | -43.3 | 178.9 | -46.3 | 147.4 | 0 | 0 | 0 | 112.2 | S62 A67 A68 I87 A90 M91 K94 L114 E115 Q118 L223 | S62-W64 PolarHBondContact O-N 3.25Å; S62-W64 VanDerWaalsContact O-N 3.12Å; W64-A67 PolarHBondContact O-N 3.41Å; W64-A68 VanDerWaalsContact O-CB 3.3Å; W64-A68 WeakPolarHBondContact O-CB 3.4Å; W64-A68 PolarHBondContact O-N 3.21Å; W64-I87 HydrophobicContact CZ3-CG2 4.5Å; W64-A90 HydrophobicContact CH2-CB 3.37Å; W64-A90 HydrophobicContact CZ2-CB 3.96Å; W64-A90 HydrophobicContact CZ3-CB 3.87Å; W64-M91 HydrophobicContact CH2-CG 4.21Å; W64-M91 HydrophobicContact CZ3-CG 3.92Å; W64-K94 HydrophobicContact CH2-CG 4.47Å; W64-K94 HydrophobicContact CZ2-CB 4.34Å; W64-K94 HydrophobicContact CZ2-CG 3.99Å; W64-L114 HydrophobicContact CH2-CD1 4Å; W64-L114 HydrophobicContact CZ2-CB 4.29Å; W64-L114 HydrophobicContact CZ2-CD1 4.21Å; W64-E115 PolarHBondContact NE1-O 2.88Å; W64-Q118 HydrophobicContact CB-CB 4.36Å; W64-Q118 HydrophobicContact CD2-CB 3.59Å; W64-Q118 HydrophobicContact CD2-CG 3.78Å; W64-Q118 HydrophobicContact CE3-CB 4.21Å; W64-Q118 HydrophobicContact CE3-CG 3.88Å; W64-Q118 HydrophobicContact CG-CB 3.65Å; W64-Q118 HydrophobicContact CG-CG 4.09Å; W64-Q118 HydrophobicContact CZ2-CB 4.22Å; W64-Q118 HydrophobicContact CZ3-CG 4.35Å; W64-L223 HydrophobicContact CE3-CD1 4.4Å; W64-L223 HydrophobicContact CZ3-CD1 4.4Å |
| 65 | E | 95.9 | Very high | 89.5 | Confident | 101 Ų | 101 | 65.7 Ų | 65.7 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.6 | -73 | 160.7 | 146.4 | 0 | 0 | 111.4 | Q61 S62 A68 Q69 | Q61-E65 HydrophobicContact CB-CB 4.42Å; S62-E65 WeakPolarHBondContact CB-OE2 3.45Å; S62-E65 PolarHBondContact N-OE2 3.46Å; S62-E65 PolarHBondContact O-N 2.98Å; S62-E65 VanDerWaalsContact O-N 3.16Å; S62-E65 VanDerWaalsContact OG-CD 3.26Å; S62-E65 VanDerWaalsContact OG-CG 3.25Å; S62-E65 WeakPolarHBondContact OG-CG 3.34Å; S62-E65 PolarHBondContact OG-N 3.34Å; S62-E65 PolarHBondContact OG-OE2 2.93Å; E65-A68 PolarHBondContact O-N 2.9Å; E65-Q69 WeakPolarHBondContact O-CB 3.48Å; E65-Q69 VanDerWaalsContact O-CG 3.26Å; E65-Q69 WeakPolarHBondContact O-CG 3.38Å; E65-Q69 PolarHBondContact O-N 2.76Å |
| 66 | I | 96 | Very high | 90.2 | Very high | 8 Ų | 8 | 59.2 Ų | 59.2 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.1 | -51.9 | 176.9 | -64.5 | 157.4 | 0 | 0 | 0 | 110 | L56 T59 Q61 S62 A68 Q69 W70 E83 I87 | L56-I66 HydrophobicContact CD1-CD1 4.01Å; L56-I66 HydrophobicContact CD2-CD1 3.75Å; L56-I66 HydrophobicContact CG-CD1 4.48Å; T59-I66 HydrophobicContact CG2-CD1 3.84Å; Q61-I66 HydrophobicContact CB-CD1 4.17Å; Q61-I66 HydrophobicContact CB-CG1 3.92Å; S62-I66 PolarHBondContact O-N 3.15Å; I66-A68 VanDerWaalsContact C-N 3.25Å; I66-A68 PolarHBondContact O-N 3.5Å; I66-Q69 PolarHBondContact O-N 3.39Å; I66-Q69 VanDerWaalsContact O-N 3.16Å; I66-W70 HydrophobicContact CG2-CZ2 3.87Å; I66-W70 PolarHBondContact O-N 3.18Å; I66-E83 HydrophobicContact CD1-CG 4.29Å; I66-E83 HydrophobicContact CG2-CB 4.07Å; I66-E83 HydrophobicContact CG2-CG 4.15Å; I66-I87 HydrophobicContact CB-CD1 4.48Å; I66-I87 HydrophobicContact CG2-CD1 4.1Å |
| 67 | A | 97.1 | Very high | 91 | Very high | 6 Ų | 6 | 57.5 Ų | 57.5 | 5% | 0.05 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -35.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P63 W64 I87 L223 | P63-A67 WeakPolarHBondContact O-CB 3.48Å; P63-A67 PolarHBondContact O-N 3.34Å; W64-A67 PolarHBondContact O-N 3.41Å; A67-I87 HydrophobicContact CB-CD1 4.01Å; A67-I87 HydrophobicContact CB-CG2 4.14Å; A67-L223 HydrophobicContact CB-CD2 3.68Å |
| 68 | A | 97.2 | Very high | 92 | Very high | 33 Ų | 33 | 55 Ų | 55 | 27% | 0.273 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70 | -36.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | W64 E65 I66 W70 V71 P226 | W64-A68 VanDerWaalsContact O-CB 3.3Å; W64-A68 WeakPolarHBondContact O-CB 3.4Å; W64-A68 PolarHBondContact O-N 3.21Å; E65-A68 PolarHBondContact O-N 2.9Å; I66-A68 VanDerWaalsContact C-N 3.25Å; I66-A68 PolarHBondContact O-N 3.5Å; A68-W70 VanDerWaalsContact C-N 3.27Å; A68-W70 PolarHBondContact O-N 3.42Å; A68-V71 PolarHBondContact O-N 2.5Å; A68-P226 HydrophobicContact CB-CB 4.19Å; A68-P226 HydrophobicContact CB-CG 3.6Å |
| 69 | Q | 96 | Very high | 93.1 | Very high | 129 Ų | 129 | 49.4 Ų | 49.4 | 60% | 0.603 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -71 | -21.4 | 178.4 | -74.3 | 173.1 | -3.8 | 0 | 0 | 113.4 | Q61 E65 I66 V71 | Q61-Q69 VanDerWaalsContact NE2-CD 3.33Å; E65-Q69 WeakPolarHBondContact O-CB 3.48Å; E65-Q69 VanDerWaalsContact O-CG 3.26Å; E65-Q69 WeakPolarHBondContact O-CG 3.38Å; E65-Q69 PolarHBondContact O-N 2.76Å; I66-Q69 PolarHBondContact O-N 3.39Å; I66-Q69 VanDerWaalsContact O-N 3.16Å; Q69-V71 VanDerWaalsContact C-N 3.32Å |
| 70 | W | 96.9 | Very high | 93.9 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -27.3 | 175.6 | -73.1 | -10.2 | 0 | 0 | 0 | 114.2 | I66 A68 V72 P78 T81 E83 L84 I87 L164 | I66-W70 HydrophobicContact CG2-CZ2 3.87Å; I66-W70 PolarHBondContact O-N 3.18Å; A68-W70 VanDerWaalsContact C-N 3.27Å; A68-W70 PolarHBondContact O-N 3.42Å; W70-V72 PolarHBondContact O-N 2.98Å; W70-P78 HydrophobicContact CD2-CG 4.27Å; W70-P78 HydrophobicContact CG-CG 4.09Å; W70-T81 HydrophobicContact CH2-CG2 4.08Å; W70-T81 HydrophobicContact CZ2-CG2 4.38Å; W70-T81 HydrophobicContact CZ3-CG2 4.24Å; W70-E83 HydrophobicContact CH2-CB 4.42Å; W70-E83 HydrophobicContact CZ2-CB 4.08Å; W70-L84 HydrophobicContact CH2-CB 4.24Å; W70-L84 HydrophobicContact CZ3-CD1 4.34Å; W70-I87 HydrophobicContact CE3-CD1 4.28Å; W70-I87 HydrophobicContact CH2-CD1 3.3Å; W70-I87 HydrophobicContact CZ2-CD1 3.88Å; W70-I87 HydrophobicContact CZ3-CD1 3.53Å; W70-L164 HydrophobicContact CZ3-CD2 4.24Å |
| 71 | V | 96.3 | Very high | 94.4 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | trans | -74.6 | 121.9 | -173.6 | -173.8 | 0 | 0 | 0 | 0 | 109.8 | A68 Q69 V76 L225 P226 W229 F296 | A68-V71 PolarHBondContact O-N 2.5Å; Q69-V71 VanDerWaalsContact C-N 3.32Å; V71-V76 HydrophobicContact CG2-CG1 4.29Å; V71-L225 HydrophobicContact CG2-CD2 4.32Å; V71-P226 HydrophobicContact CB-CG 4.36Å; V71-P226 HydrophobicContact CG2-CG 3.98Å; V71-W229 HydrophobicContact CG1-CB 4.49Å; V71-W229 HydrophobicContact CG1-CD2 4.37Å; V71-W229 HydrophobicContact CG1-CG 3.87Å; V71-W229 WeakPolarHBondContact O-CZ2 3.37Å; V71-W229 PolarHBondContact O-NE1 3.15Å; V71-F296 HydrophobicContact CG1-CE1 4.31Å; V71-F296 HydrophobicContact CG1-CE2 3.91Å; V71-F296 HydrophobicContact CG1-CZ 3.46Å; V71-F296 VanDerWaalsContact CG1-CZ 3.46Å | ||
| 72 | V | 93.4 | Very high | 94.5 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 34% | 0.339 | 25% | 0.251 | S | S | . | . | B | Isolated β-bridge | trans | -137.3 | 170.7 | 175.6 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | W70 R74 E75 | W70-V72 PolarHBondContact O-N 2.98Å; V72-R74 PolarHBondContact O-N 3.14Å; V72-E75 HydrophobicContact CG2-CG 3.38Å; V72-E75 PolarHBondContact N-O 3.35Å; V72-E75 PolarHBondContact O-N 2.05Å |
| 73 | P | 90.8 | Very high | 94.6 | Very high | 45 Ų | 45 | 48.1 Ų | 48.1 | 29% | 0.292 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -24 | -170.4 | -30.4 | 38 | 0 | 0 | 0 | 116.5 | W229 M304 | P73-W229 HydrophobicContact CG-CH2 3.73Å; P73-W229 HydrophobicContact CG-CZ3 3.98Å; P73-M304 PolarHBondContact O-N 3.05Å; P73-M304 VanDerWaalsContact O-N 3.16Å |
| 74 | R | 92.4 | Very high | 94.6 | Very high | 85 Ų | 85 | 47.2 Ų | 47.2 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 2.9 | -174.1 | -63 | -56.3 | -53.6 | 178 | 4.1 | 114.9 | V72 D274 A302 | V72-R74 PolarHBondContact O-N 3.14Å; R74-D274 IonicContact CZ-OD1 2.73Å; R74-D274 IonicContact CZ-OD2 2.72Å; R74-D274 IonicContact NH1-OD1 2.84Å; R74-D274 IonicContact NH1-OD2 3.19Å; R74-D274 PolarHBondContact NH1-OD2 2.92Å; R74-D274 IonicContact NH2-OD1 2.84Å; R74-D274 PolarHBondContact NH2-OD1 3.42Å; R74-D274 IonicContact NH2-OD2 2.68Å; R74-D274 PolarHBondContact NH2-OD2 2.9Å; R74-A302 WeakPolarHBondContact CD-O 3.49Å; R74-A302 PolarHBondContact NH1-O 3.42Å |
| 75 | E | 94.1 | Very high | 94.5 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -159.1 | 141.5 | 172.6 | 57.5 | -174.9 | -164.6 | 0 | 0 | 111.8 | V72 R160 | V72-E75 HydrophobicContact CG2-CG 3.38Å; V72-E75 PolarHBondContact N-O 3.35Å; V72-E75 PolarHBondContact O-N 2.05Å; E75-R160 CarbonylContact C-O 3.59Å; E75-R160 WeakPolarHBondContact CA-O 3.32Å; E75-R160 HydrophobicContact CB-CB 4.1Å; E75-R160 IonicContact OE2-CZ 2.82Å; E75-R160 VanDerWaalsContact OE2-CZ 3.24Å; E75-R160 IonicContact OE2-NE 3.29Å; E75-R160 PolarHBondContact OE2-NE 3.48Å; E75-R160 IonicContact OE2-NH2 3.64Å; E75-R160 PolarHBondContact OE2-NH2 3.32Å |
| 76 | V | 97.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -82.3 | -29.1 | 175 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | V71 R160 L225 M304 | V71-V76 HydrophobicContact CG2-CG1 4.29Å; V76-R160 PolarHBondContact N-O 2.84Å; V76-L225 HydrophobicContact CG1-CD2 3.8Å; V76-L225 HydrophobicContact CG2-CD2 4.47Å; V76-M304 HydrophobicContact CB-CE 4.49Å; V76-M304 HydrophobicContact CG2-CE 3.56Å |
| 77 | Y | 96.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -144.6 | 148.2 | 175.9 | 55.8 | -92.2 | 0 | 0 | 0 | 109.9 | T81 F151 D154 R155 R160 A162 L164 | Y77-T81 HydrophobicContact CD2-CG2 4.11Å; Y77-F151 HydrophobicContact CD1-CE2 4.46Å; Y77-F151 HydrophobicContact CE1-CD2 4.42Å; Y77-F151 AromaticContact CE1-CE2 3.9Å; Y77-F151 HydrophobicContact CE1-CE2 3.9Å; Y77-D154 PolarHBondContact OH-OD2 3.31Å; Y77-R155 HydrophobicContact CE1-CG 4.5Å; Y77-R155 HydrophobicContact CE2-CG 3.75Å; Y77-R155 VanDerWaalsContact OH-CA 3.32Å; Y77-R155 WeakPolarHBondContact OH-CA 3.23Å; Y77-R155 WeakPolarHBondContact OH-CG 3.25Å; Y77-R155 PolarHBondContact OH-N 3.34Å; Y77-R160 HydrophobicContact CD2-CB 4.14Å; Y77-R160 HydrophobicContact CD2-CG 4.08Å; Y77-R160 HydrophobicContact CE1-CB 4.25Å; Y77-R160 HydrophobicContact CE2-CB 3.75Å; Y77-R160 HydrophobicContact CE2-CG 3.51Å; Y77-R160 WeakPolarHBondContact O-CB 3.21Å; Y77-R160 VanDerWaalsContact O-CD 3.23Å; Y77-R160 WeakPolarHBondContact O-CD 3.47Å; Y77-R160 PolarHBondContact O-NE 3.11Å; Y77-R160 WeakPolarHBondContact OH-CA 3.4Å; Y77-A162 WeakPolarHBondContact CE1-O 3.25Å; Y77-L164 HydrophobicContact CD1-CD1 3.92Å; Y77-L164 HydrophobicContact CG-CD1 4.43Å |
| 78 | P | 94.8 | Very high | 94.7 | Very high | 30 Ų | 30 | 41.9 Ų | 41.9 | 20% | 0.195 | 22% | 0.222 | C | C | . | . | trans | -69.7 | 169.9 | -179 | 28.2 | -35.5 | 0 | 0 | 0 | 112.2 | W70 E80 T81 | W70-P78 HydrophobicContact CD2-CG 4.27Å; W70-P78 HydrophobicContact CG-CG 4.09Å; P78-E80 VanDerWaalsContact C-N 3.33Å; P78-E80 WeakPolarHBondContact CG-O 3.45Å; P78-T81 HydrophobicContact CG-CG2 3.95Å; P78-T81 WeakPolarHBondContact O-CG2 3.43Å | ||
| 79 | E | 90.3 | Very high | 94.7 | Very high | 78 Ų | 78 | 42.5 Ų | 42.5 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -62.7 | -40.8 | 173.3 | -173.5 | -176.5 | 161.9 | 0 | 0 | 111.8 | A40 R43 | A40-E79 WeakPolarHBondContact CA-OE1 3.34Å; A40-E79 WeakPolarHBondContact CB-OE1 3.3Å; R43-E79 IonicContact CZ-OE1 3.75Å; R43-E79 VanDerWaalsContact CZ-OE1 3.29Å; R43-E79 IonicContact NE-OE1 2.82Å; R43-E79 PolarHBondContact NE-OE1 3.49Å; R43-E79 VanDerWaalsContact NH2-CD 3.35Å; R43-E79 IonicContact NH2-OE1 3.97Å; R43-E79 PolarHBondContact NH2-OE1 3.25Å; R43-E79 IonicContact NH2-OE2 3.5Å; R43-E79 PolarHBondContact NH2-OE2 3.43Å |
| 80 | E | 90.6 | Very high | 94.8 | Very high | 125 Ų | 125 | 36.6 Ų | 36.6 | 58% | 0.584 | 19% | 0.193 | S | C | * | . | trans | -101.4 | 111 | 179.1 | -64.2 | -174.9 | -175.3 | 0 | 0 | 109.7 | R43 P78 P82 | R43-E80 IonicContact CZ-OE1 3.81Å; R43-E80 IonicContact NE-OE1 3.71Å; R43-E80 IonicContact NH1-OE1 2.59Å; R43-E80 PolarHBondContact NH1-OE1 2.91Å; R43-E80 VanDerWaalsContact NH1-OE1 3.11Å; P78-E80 VanDerWaalsContact C-N 3.33Å; P78-E80 WeakPolarHBondContact CG-O 3.45Å; E80-P82 VanDerWaalsContact C-CD 3.47Å; E80-P82 WeakPolarHBondContact O-CD 3.27Å | ||
| 81 | T | 92.2 | Very high | 94.9 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 17% | 0.166 | 19% | 0.187 | C | C | . | . | trans | -123.9 | 68.5 | -174.6 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | W70 Y77 P78 E83 L84 | W70-T81 HydrophobicContact CH2-CG2 4.08Å; W70-T81 HydrophobicContact CZ2-CG2 4.38Å; W70-T81 HydrophobicContact CZ3-CG2 4.24Å; Y77-T81 HydrophobicContact CD2-CG2 4.11Å; P78-T81 HydrophobicContact CG-CG2 3.95Å; P78-T81 WeakPolarHBondContact O-CG2 3.43Å; T81-E83 PolarHBondContact O-N 3.46Å; T81-L84 VanDerWaalsContact O-CB 3.3Å; T81-L84 WeakPolarHBondContact O-CB 3.35Å; T81-L84 PolarHBondContact O-N 2.89Å; T81-L84 VanDerWaalsContact O-N 3.16Å | ||
| 82 | P | 91.3 | Very high | 95 | Very high | 108 Ų | 108 | 35.5 Ų | 35.5 | 70% | 0.701 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -28.9 | -177.7 | 17.7 | -23.1 | 0 | 0 | 0 | 113.2 | E80 | E80-P82 VanDerWaalsContact C-CD 3.47Å; E80-P82 WeakPolarHBondContact O-CD 3.27Å |
| 83 | E | 94.6 | Very high | 95.2 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -2.2 | -179.1 | -56.5 | 78.6 | -171.1 | 0 | 0 | 113.8 | L56 I66 W70 T81 G85 A86 I87 | L56-E83 HydrophobicContact CD2-CB 3.81Å; L56-E83 HydrophobicContact CD2-CG 3.86Å; I66-E83 HydrophobicContact CD1-CG 4.29Å; I66-E83 HydrophobicContact CG2-CB 4.07Å; I66-E83 HydrophobicContact CG2-CG 4.15Å; W70-E83 HydrophobicContact CH2-CB 4.42Å; W70-E83 HydrophobicContact CZ2-CB 4.08Å; T81-E83 PolarHBondContact O-N 3.46Å; E83-G85 VanDerWaalsContact C-N 3.26Å; E83-G85 PolarHBondContact O-N 3.46Å; E83-A86 PolarHBondContact O-N 3.44Å; E83-I87 HydrophobicContact CB-CD1 4.17Å; E83-I87 WeakPolarHBondContact O-CG1 3.32Å; E83-I87 PolarHBondContact O-N 3.13Å |
| 84 | L | 95.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58 | -39.6 | -174.4 | -178.8 | 58.6 | 0 | 0 | 0 | 112.3 | V50 W70 T81 A86 I87 M88 F151 R155 L164 | V50-L84 HydrophobicContact CG1-CB 4.36Å; V50-L84 HydrophobicContact CG1-CG 4.18Å; V50-L84 HydrophobicContact CG2-CD2 3.91Å; V50-L84 HydrophobicContact CG2-CG 4.43Å; W70-L84 HydrophobicContact CH2-CB 4.24Å; W70-L84 HydrophobicContact CZ3-CD1 4.34Å; T81-L84 VanDerWaalsContact O-CB 3.3Å; T81-L84 WeakPolarHBondContact O-CB 3.35Å; T81-L84 PolarHBondContact O-N 2.89Å; T81-L84 VanDerWaalsContact O-N 3.16Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-A86 PolarHBondContact O-N 2.73Å; L84-I87 PolarHBondContact O-N 2.87Å; L84-M88 HydrophobicContact CD1-CG 3.86Å; L84-M88 HydrophobicContact CD1-SD 3.85Å; L84-M88 HydrophobicContact CD2-SD 4.41Å; L84-M88 HydrophobicContact CG-CG 4.29Å; L84-M88 HydrophobicContact CG-SD 3.85Å; L84-M88 WeakPolarHBondContact O-CB 3.49Å; L84-M88 WeakPolarHBondContact O-CG 3.38Å; L84-M88 PolarHBondContact O-N 2.96Å; L84-F151 HydrophobicContact CD1-CZ 4.31Å; L84-R155 VanDerWaalsContact CD2-CZ 3.44Å; L84-L164 HydrophobicContact CD1-CD2 3.54Å; L84-L164 HydrophobicContact CD1-CG 3.95Å |
| 85 | G | 95.8 | Very high | 95.8 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E51 E83 H89 | E51-G85 VanDerWaalsContact O-CA 3.29Å; E51-G85 WeakPolarHBondContact O-CA 3.4Å; E83-G85 VanDerWaalsContact C-N 3.26Å; E83-G85 PolarHBondContact O-N 3.46Å; G85-H89 WeakPolarHBondContact O-CB 3.45Å; G85-H89 PolarHBondContact O-N 3.01Å |
| 86 | A | 96.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70.7 | -38.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A53 L56 E83 L84 H89 A90 | A53-A86 WeakPolarHBondContact O-CA 3.41Å; A53-A86 PolarHBondContact O-N 2.94Å; L56-A86 HydrophobicContact CD2-CB 3.47Å; L56-A86 VanDerWaalsContact CD2-CB 3.47Å; L56-A86 HydrophobicContact CG-CB 3.79Å; E83-A86 PolarHBondContact O-N 3.44Å; L84-A86 VanDerWaalsContact C-N 3.34Å; L84-A86 PolarHBondContact O-N 2.73Å; A86-H89 PolarHBondContact O-N 3.01Å; A86-A90 WeakPolarHBondContact O-CB 3.23Å; A86-A90 PolarHBondContact O-N 2.9Å |
| 87 | I | 97.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.7 | -49.3 | 176.7 | -64.6 | 160 | 0 | 0 | 0 | 110.4 | P63 W64 I66 A67 W70 E83 L84 H89 A90 M91 L164 L223 | P63-I87 HydrophobicContact CB-CB 4.42Å; P63-I87 HydrophobicContact CB-CG1 3.79Å; W64-I87 HydrophobicContact CZ3-CG2 4.5Å; I66-I87 HydrophobicContact CB-CD1 4.48Å; I66-I87 HydrophobicContact CG2-CD1 4.1Å; A67-I87 HydrophobicContact CB-CD1 4.01Å; A67-I87 HydrophobicContact CB-CG2 4.14Å; W70-I87 HydrophobicContact CE3-CD1 4.28Å; W70-I87 HydrophobicContact CH2-CD1 3.3Å; W70-I87 HydrophobicContact CZ2-CD1 3.88Å; W70-I87 HydrophobicContact CZ3-CD1 3.53Å; E83-I87 HydrophobicContact CB-CD1 4.17Å; E83-I87 WeakPolarHBondContact O-CG1 3.32Å; E83-I87 PolarHBondContact O-N 3.13Å; L84-I87 PolarHBondContact O-N 2.87Å; I87-H89 VanDerWaalsContact C-N 3.33Å; I87-H89 PolarHBondContact O-N 2.73Å; I87-A90 WeakPolarHBondContact O-CB 3.3Å; I87-A90 PolarHBondContact O-N 2.66Å; I87-M91 HydrophobicContact CG2-SD 4.24Å; I87-M91 WeakPolarHBondContact O-CG 3.4Å; I87-M91 PolarHBondContact O-N 3.36Å; I87-L164 HydrophobicContact CB-CD2 4.35Å; I87-L164 HydrophobicContact CG2-CD2 3.6Å; I87-L223 HydrophobicContact CG2-CD2 4.49Å |
| 88 | M | 97.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.2 | -37.3 | 178.1 | -68.6 | -179.3 | 71.2 | 0 | 0 | 111.7 | L52 L84 M91 A92 F151 V166 | L52-M88 HydrophobicContact CD2-CB 3.21Å; L52-M88 HydrophobicContact CD2-CE 4.46Å; L52-M88 HydrophobicContact CD2-CG 4.4Å; L84-M88 HydrophobicContact CD1-CG 3.86Å; L84-M88 HydrophobicContact CD1-SD 3.85Å; L84-M88 HydrophobicContact CD2-SD 4.41Å; L84-M88 HydrophobicContact CG-CG 4.29Å; L84-M88 HydrophobicContact CG-SD 3.85Å; L84-M88 WeakPolarHBondContact O-CB 3.49Å; L84-M88 WeakPolarHBondContact O-CG 3.38Å; L84-M88 PolarHBondContact O-N 2.96Å; M88-M91 PolarHBondContact O-N 2.91Å; M88-A92 WeakPolarHBondContact O-CB 3.49Å; M88-A92 PolarHBondContact O-N 3.12Å; M88-F151 HydrophobicContact CE-CE1 3.98Å; M88-F151 HydrophobicContact SD-CE1 4.02Å; M88-F151 HydrophobicContact SD-CZ 4.45Å; M88-V166 HydrophobicContact CB-CG2 4.43Å; M88-V166 HydrophobicContact CE-CB 4.05Å; M88-V166 HydrophobicContact CE-CG2 3.96Å |
| 89 | H | 98 | Very high | 96.4 | Very high | 46 Ų | 46 | 45.1 Ų | 45.1 | 21% | 0.213 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -47.8 | 172.5 | 179.9 | 92.6 | 0 | 0 | 0 | 110.7 | L52 G85 A86 I87 M91 A92 T93 | L52-H89 HydrophobicContact CB-CB 4.16Å; L52-H89 PolarHBondContact O-ND1 2.74Å; G85-H89 WeakPolarHBondContact O-CB 3.45Å; G85-H89 PolarHBondContact O-N 3.01Å; A86-H89 PolarHBondContact O-N 3.01Å; I87-H89 VanDerWaalsContact C-N 3.33Å; I87-H89 PolarHBondContact O-N 2.73Å; H89-M91 VanDerWaalsContact C-N 3.33Å; H89-M91 PolarHBondContact O-N 3.43Å; H89-A92 PolarHBondContact O-N 2.94Å; H89-A92 VanDerWaalsContact O-N 3.15Å; H89-T93 PolarHBondContact CD2-OG1 3.29Å; H89-T93 PolarHBondContact NE2-OG1 2.85Å; H89-T93 PolarHBondContact O-N 2.97Å; H89-T93 PolarHBondContact O-OG1 3.34Å |
| 90 | A | 98.1 | Very high | 96.7 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 5% | 0.05 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61 | -41.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P63 W64 A86 I87 A92 T93 K94 | P63-A90 HydrophobicContact CB-CB 4.31Å; P63-A90 HydrophobicContact CG-CB 3.86Å; W64-A90 HydrophobicContact CH2-CB 3.37Å; W64-A90 HydrophobicContact CZ2-CB 3.96Å; W64-A90 HydrophobicContact CZ3-CB 3.87Å; A86-A90 WeakPolarHBondContact O-CB 3.23Å; A86-A90 PolarHBondContact O-N 2.9Å; I87-A90 WeakPolarHBondContact O-CB 3.3Å; I87-A90 PolarHBondContact O-N 2.66Å; A90-A92 VanDerWaalsContact C-N 3.3Å; A90-A92 PolarHBondContact O-N 2.74Å; A90-T93 PolarHBondContact O-N 2.9Å; A90-K94 HydrophobicContact CB-CG 3.94Å; A90-K94 WeakPolarHBondContact O-CB 3.4Å; A90-K94 WeakPolarHBondContact O-CG 3.42Å; A90-K94 PolarHBondContact O-N 3.27Å |
| 91 | M | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.6 | -40.2 | 175 | -69.1 | 170.2 | 65.5 | 0 | 0 | 112 | W64 I87 M88 H89 L164 V166 R168 V221 L223 | W64-M91 HydrophobicContact CH2-CG 4.21Å; W64-M91 HydrophobicContact CZ3-CG 3.92Å; I87-M91 HydrophobicContact CG2-SD 4.24Å; I87-M91 WeakPolarHBondContact O-CG 3.4Å; I87-M91 PolarHBondContact O-N 3.36Å; M88-M91 PolarHBondContact O-N 2.91Å; H89-M91 VanDerWaalsContact C-N 3.33Å; H89-M91 PolarHBondContact O-N 3.43Å; M91-L164 HydrophobicContact CE-CB 4.38Å; M91-L164 WeakPolarHBondContact CE-O 3.09Å; M91-L164 HydrophobicContact SD-CB 4.1Å; M91-V166 HydrophobicContact CB-CG1 3.56Å; M91-V166 HydrophobicContact CE-CG1 4.19Å; M91-R168 PolarHBondContact O-NH1 2.78Å; M91-V221 HydrophobicContact CB-CG1 4.32Å; M91-V221 HydrophobicContact CE-CG1 4.09Å; M91-V221 WeakPolarHBondContact CE-O 3.06Å; M91-L223 HydrophobicContact CE-CB 3.79Å; M91-L223 HydrophobicContact CG-CD1 4.32Å; M91-L223 HydrophobicContact SD-CB 4.05Å; M91-L223 HydrophobicContact SD-CD1 4.25Å |
| 92 | A | 98.3 | Very high | 95.9 | Very high | 14 Ų | 14 | 36.9 Ų | 36.9 | 12% | 0.116 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -73.3 | -31.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | M88 H89 A90 V166 R168 P362 | M88-A92 WeakPolarHBondContact O-CB 3.49Å; M88-A92 PolarHBondContact O-N 3.12Å; H89-A92 PolarHBondContact O-N 2.94Å; H89-A92 VanDerWaalsContact O-N 3.15Å; A90-A92 VanDerWaalsContact C-N 3.3Å; A90-A92 PolarHBondContact O-N 2.74Å; A92-V166 HydrophobicContact CB-CG1 4.24Å; A92-V166 HydrophobicContact CB-CG2 4.27Å; A92-R168 VanDerWaalsContact O-CD 3.29Å; A92-R168 WeakPolarHBondContact O-CD 3.35Å; A92-R168 WeakPolarHBondContact O-CG 3.47Å; A92-R168 PolarHBondContact O-NE 3.01Å; A92-P362 HydrophobicContact CB-CG 4.08Å |
| 93 | T | 97.9 | Very high | 94.4 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 47% | 0.472 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -120.3 | -22.5 | -167.2 | 66.2 | 0 | 0 | 0 | 0 | 115.5 | H89 A90 K95 | H89-T93 PolarHBondContact CD2-OG1 3.29Å; H89-T93 PolarHBondContact NE2-OG1 2.85Å; H89-T93 PolarHBondContact O-N 2.97Å; H89-T93 PolarHBondContact O-OG1 3.34Å; A90-T93 PolarHBondContact O-N 2.9Å; T93-K95 PolarHBondContact O-N 3.04Å |
| 94 | K | 98.3 | Very high | 93.1 | Very high | 74 Ų | 74 | 45.2 Ų | 45.2 | 32% | 0.322 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -61.4 | 140.3 | -177.1 | -77.1 | -84.4 | 171.3 | 177.7 | 0 | 111.1 | W64 A90 I96 L114 E115 R168 | W64-K94 HydrophobicContact CH2-CG 4.47Å; W64-K94 HydrophobicContact CZ2-CB 4.34Å; W64-K94 HydrophobicContact CZ2-CG 3.99Å; A90-K94 HydrophobicContact CB-CG 3.94Å; A90-K94 WeakPolarHBondContact O-CB 3.4Å; A90-K94 WeakPolarHBondContact O-CG 3.42Å; A90-K94 PolarHBondContact O-N 3.27Å; K94-I96 PolarHBondContact O-N 3.34Å; K94-L114 HydrophobicContact CB-CB 4.21Å; K94-L114 HydrophobicContact CB-CD1 4.45Å; K94-E115 HydrophobicContact CD-CB 4.16Å; K94-E115 WeakPolarHBondContact CD-OE2 3.49Å; K94-E115 IonicContact NZ-OE2 3.05Å; K94-E115 PolarHBondContact NZ-OE2 3.48Å; K94-R168 PolarHBondContact O-NH1 3.3Å; K94-R168 PolarHBondContact O-NH2 2.91Å |
| 95 | K | 98.6 | Very high | 92.3 | Very high | 138 Ų | 138 | 47 Ų | 47 | 60% | 0.6 | 24% | 0.235 | S | C | * | . | P | Polyproline II helix | trans | -57 | 135.2 | -179.7 | -179.2 | 178.2 | 178.1 | -177.8 | 0 | 110.4 | T93 I97 L114 E115 | T93-K95 PolarHBondContact O-N 3.04Å; K95-I97 HydrophobicContact CG-CG2 4.34Å; K95-L114 CarbonylContact O-C 3.58Å; K95-L114 WeakPolarHBondContact O-CA 3.4Å; K95-E115 HydrophobicContact CB-CB 4.42Å; K95-E115 PolarHBondContact O-N 3.47Å |
| 96 | I | 98.9 | Very high | 91.8 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 122.7 | 170.5 | -59.8 | 159.3 | 0 | 0 | 0 | 107.5 | K94 K98 L112 L114 V170 E175 I176 V179 | K94-I96 PolarHBondContact O-N 3.34Å; I96-K98 WeakPolarHBondContact CG2-O 3.26Å; I96-L112 HydrophobicContact CD1-CD1 3.86Å; I96-L112 HydrophobicContact CG1-CD1 4.25Å; I96-L112 HydrophobicContact CG2-CB 4.2Å; I96-L112 HydrophobicContact CG2-CD2 4.21Å; I96-L114 HydrophobicContact CG1-CD2 3.79Å; I96-V170 HydrophobicContact CD1-CG1 3.75Å; I96-V170 HydrophobicContact CD1-CG2 4.25Å; I96-E175 HydrophobicContact CD1-CB 4.33Å; I96-I176 HydrophobicContact CD1-CD1 3.77Å; I96-I176 HydrophobicContact CG2-CD1 4.28Å; I96-V179 HydrophobicContact CG2-CG2 4.04Å |
| 97 | I | 98.8 | Very high | 91.6 | Very high | 80 Ų | 80 | 50.3 Ų | 50.3 | 41% | 0.41 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -15.6 | -176.6 | 62 | 166.7 | 0 | 0 | 0 | 113 | K95 I113 E115 | K95-I97 HydrophobicContact CG-CG2 4.34Å; I97-I113 HydrophobicContact CD1-CG2 4Å; I97-I113 HydrophobicContact CG1-CB 4.16Å; I97-I113 HydrophobicContact CG1-CG2 3.94Å; I97-I113 VanDerWaalsContact CG1-O 3.26Å; I97-I113 WeakPolarHBondContact CG1-O 3.4Å; I97-I113 PolarHBondContact N-O 3.16Å; I97-E115 HydrophobicContact CG2-CB 4.38Å |
| 98 | K | 98.6 | Very high | 91.5 | Very high | 100 Ų | 100 | 50.8 Ų | 50.8 | 44% | 0.435 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 142.8 | 171.3 | -168.1 | 176.6 | -179.9 | -179.7 | 0 | 109.8 | I96 L112 I113 V179 | I96-K98 WeakPolarHBondContact CG2-O 3.26Å; K98-L112 CarbonylContact O-C 3.51Å; K98-L112 WeakPolarHBondContact O-CA 3.25Å; K98-I113 HydrophobicContact CB-CB 3.97Å; K98-I113 HydrophobicContact CB-CD1 4.04Å; K98-I113 HydrophobicContact CB-CG1 4.05Å; K98-I113 HydrophobicContact CD-CD1 3.85Å; K98-I113 HydrophobicContact CG-CD1 4.45Å; K98-I113 PolarHBondContact N-O 2.8Å; K98-I113 PolarHBondContact O-N 2.67Å; K98-V179 CarbonylContact C-O 3.53Å; K98-V179 WeakPolarHBondContact CA-O 3.44Å |
| 99 | A | 98.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 138.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L111 L112 I176 V179 A180 T181 L184 | A99-L111 CarbonylContact C-O 3.57Å; A99-L111 WeakPolarHBondContact CA-O 3.25Å; A99-L112 HydrophobicContact CB-CD2 3.6Å; A99-I176 HydrophobicContact CB-CD1 4.22Å; A99-I176 HydrophobicContact CB-CG2 3.95Å; A99-V179 HydrophobicContact CB-CG2 4.3Å; A99-V179 PolarHBondContact N-O 2.71Å; A99-A180 HydrophobicContact CB-CB 4.3Å; A99-A180 CarbonylContact O-C 3.55Å; A99-A180 VanDerWaalsContact O-CA 3.25Å; A99-A180 WeakPolarHBondContact O-CA 3.34Å; A99-T181 PolarHBondContact O-N 3.48Å; A99-L184 HydrophobicContact CB-CD2 3.83Å |
| 100 | D | 97.1 | Very high | 91.3 | Very high | 38 Ų | 38 | 50.7 Ų | 50.7 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 167.8 | 177.7 | -156.7 | -2.4 | 0 | 0 | 0 | 110.3 | A110 L111 T181 | D100-A110 CarbonylContact O-C 3.59Å; D100-A110 WeakPolarHBondContact O-CA 3.35Å; D100-L111 PolarHBondContact N-O 3.16Å; D100-L111 PolarHBondContact O-N 3.02Å; D100-T181 HydrophobicContact CB-CG2 3.84Å; D100-T181 WeakPolarHBondContact OD1-CG2 3.31Å; D100-T181 PolarHBondContact OD1-OG1 3.36Å |
| 101 | V | 90.3 | Very high | 91.3 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 145.4 | 167.5 | -62.9 | 0 | 0 | 0 | 0 | 109.7 | Y103 Q183 L184 K200 | V101-Y103 PolarHBondContact O-N 3.46Å; V101-Q183 HydrophobicContact CG1-CG 4.25Å; V101-Q183 HydrophobicContact CG2-CG 3.73Å; V101-L184 HydrophobicContact CG1-CB 4.05Å; V101-L184 HydrophobicContact CG1-CD1 3.9Å; V101-K200 HydrophobicContact CB-CB 4.38Å; V101-K200 HydrophobicContact CG1-CB 4.16Å; V101-K200 HydrophobicContact CG1-CG 4.36Å; V101-K200 HydrophobicContact CG2-CB 4.38Å |
| 102 | G | 74.8 | Confident | 91.3 | Very high | 10 Ų | 10 | 52.5 Ų | 52.5 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | trans | -59.1 | 135.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K104 K109 | G102-K104 PolarHBondContact O-N 3.26Å; G102-K109 PolarHBondContact N-O 3.47Å; G102-K109 VanDerWaalsContact N-O 3.12Å | ||
| 103 | Y | 59.6 | Low | 91.3 | Very high | 182 Ų | 182 | 53.7 Ų | 53.7 | 71% | 0.714 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -72.8 | 112.5 | 175.1 | -177.1 | -100.1 | 0 | 0 | 0 | 110.1 | V101 | V101-Y103 PolarHBondContact O-N 3.46Š|
| 104 | K | 67.8 | Low | 91.3 | Very high | 149 Ų | 149 | 50 Ų | 50 | 65% | 0.648 | 24% | 0.243 | S | C | * | . | S | Bend | trans | 60.9 | 159.7 | 177.8 | -59.5 | 177.3 | 174.9 | 162.7 | 0 | 113.7 | G102 K109 | G102-K104 PolarHBondContact O-N 3.26Å; K104-K109 WeakPolarHBondContact O-CE 2.82Å |
| 105 | G | 78 | Confident | 91.3 | Very high | 38 Ų | 38 | 50.8 Ų | 50.8 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | trans | 126.7 | 166.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y202 | G105-Y202 PolarHBondContact O-N 2.69Å; G105-Y202 VanDerWaalsContact O-N 3.16Å | ||
| 106 | T | 85.4 | Confident | 91.2 | Very high | 62 Ų | 62 | 47.2 Ų | 47.2 | 38% | 0.38 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -90 | -30.1 | -175.2 | 47.8 | 0 | 0 | 0 | 0 | 112.8 | C201 Y203 | T106-C201 PolarHBondContact O-SG 3.01Å; T106-Y203 HydrophobicContact CG2-CD2 4.48Å; T106-Y203 HydrophobicContact CG2-CE2 4.04Å; T106-Y203 WeakPolarHBondContact O-CB 3.26Å; T106-Y203 WeakPolarHBondContact O-CD2 2.79Å; T106-Y203 PolarHBondContact O-N 2.96Å; T106-Y203 VanDerWaalsContact O-N 3.14Å |
| 107 | Q | 92.9 | Very high | 91.1 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -113.4 | 160.2 | -170.4 | -62.4 | -67.9 | -29.2 | 0 | 0 | 112.8 | K109 D142 | Q107-K109 PolarHBondContact O-N 2.73Å; Q107-D142 HydrophobicContact CB-CB 4.26Å; Q107-D142 WeakPolarHBondContact CG-OD1 3.08Å |
| 108 | L | 94.8 | Very high | 91 | Very high | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | trans | -68.3 | 123.2 | -178.9 | 177.3 | 57 | 0 | 0 | 0 | 111.5 | P124 F197 Y198 A210 | L108-P124 HydrophobicContact CD2-CG 3.93Å; L108-P124 HydrophobicContact CG-CG 4.04Å; L108-F197 HydrophobicContact CD1-CD2 4.06Å; L108-F197 HydrophobicContact CD1-CE2 3.67Å; L108-F197 HydrophobicContact CD2-CE2 4.3Å; L108-F197 HydrophobicContact CG-CE2 4.2Å; L108-Y198 WeakPolarHBondContact CD1-O 3.46Å; L108-A210 HydrophobicContact CD2-CB 3.61Å | ||
| 109 | K | 95.8 | Very high | 91 | Very high | 45 Ų | 45 | 45.7 Ų | 45.7 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | trans | -153.9 | 154.2 | 172 | 62.7 | -171.1 | 178 | -177.8 | 0 | 110.8 | G102 K104 Q107 V121 F122 K123 | G102-K109 PolarHBondContact N-O 3.47Å; G102-K109 VanDerWaalsContact N-O 3.12Å; K104-K109 WeakPolarHBondContact O-CE 2.82Å; Q107-K109 PolarHBondContact O-N 2.73Å; K109-V121 HydrophobicContact CB-CG1 4.02Å; K109-V121 HydrophobicContact CD-CG1 4.03Å; K109-V121 HydrophobicContact CG-CG1 4.44Å; K109-F122 WeakPolarHBondContact CA-O 3.31Å; K109-K123 HydrophobicContact CB-CG 4.23Å | ||
| 110 | A | 96.7 | Very high | 91 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 145.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | D100 L112 F122 | D100-A110 CarbonylContact O-C 3.59Å; D100-A110 WeakPolarHBondContact O-CA 3.35Å; A110-L112 HydrophobicContact CB-CD2 4.17Å; A110-F122 HydrophobicContact CB-CB 4.37Å; A110-F122 HydrophobicContact CB-CD1 4.48Å; A110-F122 PolarHBondContact N-O 2.81Å; A110-F122 PolarHBondContact O-N 3.15Å |
| 111 | L | 97.8 | Very high | 91 | Very high | 44 Ų | 44 | 44.8 Ų | 44.8 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.6 | 166 | 175.2 | 65.8 | 0 | 0 | 0 | 107.5 | A99 D100 K119 W224 | A99-L111 CarbonylContact C-O 3.57Å; A99-L111 WeakPolarHBondContact CA-O 3.25Å; D100-L111 PolarHBondContact N-O 3.16Å; D100-L111 PolarHBondContact O-N 3.02Å; L111-K119 HydrophobicContact CD1-CB 4.29Å; L111-W224 HydrophobicContact CD1-CE3 4.32Å; L111-W224 HydrophobicContact CD1-CZ3 4.37Å |
| 112 | L | 98.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 150.1 | 175.2 | -49.6 | 179.9 | 0 | 0 | 0 | 109.8 | I96 K98 A99 A110 K119 V120 F122 I176 | I96-L112 HydrophobicContact CD1-CD1 3.86Å; I96-L112 HydrophobicContact CG1-CD1 4.25Å; I96-L112 HydrophobicContact CG2-CB 4.2Å; I96-L112 HydrophobicContact CG2-CD2 4.21Å; K98-L112 CarbonylContact O-C 3.51Å; K98-L112 WeakPolarHBondContact O-CA 3.25Å; A99-L112 HydrophobicContact CB-CD2 3.6Å; A110-L112 HydrophobicContact CB-CD2 4.17Å; L112-K119 WeakPolarHBondContact O-CA 3.38Å; L112-V120 HydrophobicContact CB-CG2 3.72Å; L112-V120 HydrophobicContact CD1-CG2 4.49Å; L112-V120 HydrophobicContact CG-CG2 4.5Å; L112-V120 PolarHBondContact N-O 3.23Å; L112-V120 PolarHBondContact O-N 2.84Å; L112-F122 HydrophobicContact CD1-CB 3.57Å; L112-F122 HydrophobicContact CD1-CD2 4.43Å; L112-F122 HydrophobicContact CD1-CG 4.06Å; L112-F122 HydrophobicContact CG-CB 3.9Å; L112-I176 HydrophobicContact CD1-CD1 4.35Å; L112-I176 HydrophobicContact CD2-CD1 3.7Å |
| 113 | I | 98.6 | Very high | 92.6 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 20% | 0.195 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 121.8 | 166.8 | -53.3 | -175.5 | 0 | 0 | 0 | 107.4 | I97 K98 Q118 | I97-I113 HydrophobicContact CD1-CG2 4Å; I97-I113 HydrophobicContact CG1-CB 4.16Å; I97-I113 HydrophobicContact CG1-CG2 3.94Å; I97-I113 VanDerWaalsContact CG1-O 3.26Å; I97-I113 WeakPolarHBondContact CG1-O 3.4Å; I97-I113 PolarHBondContact N-O 3.16Å; K98-I113 HydrophobicContact CB-CB 3.97Å; K98-I113 HydrophobicContact CB-CD1 4.04Å; K98-I113 HydrophobicContact CB-CG1 4.05Å; K98-I113 HydrophobicContact CD-CD1 3.85Å; K98-I113 HydrophobicContact CG-CD1 4.45Å; K98-I113 PolarHBondContact N-O 2.8Å; K98-I113 PolarHBondContact O-N 2.67Å; I113-Q118 WeakPolarHBondContact CA-O 3.44Å |
| 114 | L | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 158 | 175.5 | -55.4 | -175.3 | 0 | 0 | 0 | 110.4 | W64 K94 K95 I96 G116 G117 Q118 V120 | W64-L114 HydrophobicContact CH2-CD1 4Å; W64-L114 HydrophobicContact CZ2-CB 4.29Å; W64-L114 HydrophobicContact CZ2-CD1 4.21Å; K94-L114 HydrophobicContact CB-CB 4.21Å; K94-L114 HydrophobicContact CB-CD1 4.45Å; K95-L114 CarbonylContact O-C 3.58Å; K95-L114 WeakPolarHBondContact O-CA 3.4Å; I96-L114 HydrophobicContact CG1-CD2 3.79Å; L114-G116 PolarHBondContact O-N 3.39Å; L114-G117 PolarHBondContact O-N 3.07Å; L114-Q118 PolarHBondContact N-O 2.71Å; L114-V120 HydrophobicContact CD1-CG1 3.85Å; L114-V120 HydrophobicContact CD1-CG2 4.29Å; L114-V120 HydrophobicContact CD2-CG2 4.2Å; L114-V120 HydrophobicContact CG-CG1 4.18Å; L114-V120 HydrophobicContact CG-CG2 4.02Å |
| 115 | E | 98 | Very high | 95.9 | Very high | 91 Ų | 91 | 32.1 Ų | 32.1 | 43% | 0.425 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 132.9 | 169.8 | -178 | -174.7 | -121 | 0 | 0 | 110.8 | W64 K94 K95 I97 | W64-E115 PolarHBondContact NE1-O 2.88Å; K94-E115 HydrophobicContact CD-CB 4.16Å; K94-E115 WeakPolarHBondContact CD-OE2 3.49Å; K94-E115 IonicContact NZ-OE2 3.05Å; K94-E115 PolarHBondContact NZ-OE2 3.48Å; K95-E115 HydrophobicContact CB-CB 4.42Å; K95-E115 PolarHBondContact O-N 3.47Å; I97-E115 HydrophobicContact CG2-CB 4.38Å |
| 116 | G | 95.3 | Very high | 96.8 | Very high | 63 Ų | 63 | 32.4 Ų | 32.4 | 65% | 0.649 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.8 | 3.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114 | L114 Q118 | L114-G116 PolarHBondContact O-N 3.39Å; G116-Q118 VanDerWaalsContact C-N 3.32Å; G116-Q118 PolarHBondContact O-N 2.81Å |
| 117 | G | 96.9 | Very high | 97.4 | Very high | 48 Ų | 48 | 31.2 Ų | 31.2 | 50% | 0.495 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 82.3 | 3.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115 | L114 K119 | L114-G117 PolarHBondContact O-N 3.07Å; G117-K119 PolarHBondContact O-N 2.82Å |
| 118 | Q | 98 | Very high | 97.6 | Very high | 32 Ų | 32 | 33.4 Ų | 33.4 | 15% | 0.15 | 19% | 0.192 | C | C | . | . | trans | -70.1 | 125.2 | -178.3 | -178.7 | 58.2 | 52.3 | 0 | 0 | 111.6 | W64 I113 L114 G116 V120 L223 W224 | W64-Q118 HydrophobicContact CB-CB 4.36Å; W64-Q118 HydrophobicContact CD2-CB 3.59Å; W64-Q118 HydrophobicContact CD2-CG 3.78Å; W64-Q118 HydrophobicContact CE3-CB 4.21Å; W64-Q118 HydrophobicContact CE3-CG 3.88Å; W64-Q118 HydrophobicContact CG-CB 3.65Å; W64-Q118 HydrophobicContact CG-CG 4.09Å; W64-Q118 HydrophobicContact CZ2-CB 4.22Å; W64-Q118 HydrophobicContact CZ3-CG 4.35Å; I113-Q118 WeakPolarHBondContact CA-O 3.44Å; L114-Q118 PolarHBondContact N-O 2.71Å; G116-Q118 VanDerWaalsContact C-N 3.32Å; G116-Q118 PolarHBondContact O-N 2.81Å; Q118-V120 HydrophobicContact CG-CG1 4.34Å; Q118-L223 HydrophobicContact CG-CD1 3.47Å; Q118-L223 VanDerWaalsContact CG-CD1 3.47Å; Q118-W224 PolarHBondContact NE2-O 3.08Å | ||
| 119 | K | 98.1 | Very high | 97.8 | Very high | 72 Ų | 72 | 34.8 Ų | 34.8 | 31% | 0.313 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 139.8 | 172.2 | -63.9 | 171.2 | -166.1 | 155.4 | 0 | 109.8 | L111 L112 G117 W224 D227 | L111-K119 HydrophobicContact CD1-CB 4.29Å; L112-K119 WeakPolarHBondContact O-CA 3.38Å; G117-K119 PolarHBondContact O-N 2.82Å; K119-W224 HydrophobicContact CB-CB 3.62Å; K119-W224 HydrophobicContact CB-CD2 4.42Å; K119-W224 HydrophobicContact CB-CG 3.89Å; K119-W224 HydrophobicContact CD-CG 4.37Å; K119-W224 WeakPolarHBondContact O-CB 3.08Å; K119-W224 PolarHBondContact O-N 2.96Å; K119-W224 VanDerWaalsContact O-N 3.12Å; K119-D227 IonicContact NZ-OD1 4Å; K119-D227 IonicContact NZ-OD2 3.11Å; K119-D227 PolarHBondContact NZ-OD2 3.08Å |
| 120 | V | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 150.7 | 171.4 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | L112 L114 Q118 V221 T222 L223 | L112-V120 HydrophobicContact CB-CG2 3.72Å; L112-V120 HydrophobicContact CD1-CG2 4.49Å; L112-V120 HydrophobicContact CG-CG2 4.5Å; L112-V120 PolarHBondContact N-O 3.23Å; L112-V120 PolarHBondContact O-N 2.84Å; L114-V120 HydrophobicContact CD1-CG1 3.85Å; L114-V120 HydrophobicContact CD1-CG2 4.29Å; L114-V120 HydrophobicContact CD2-CG2 4.2Å; L114-V120 HydrophobicContact CG-CG1 4.18Å; L114-V120 HydrophobicContact CG-CG2 4.02Å; Q118-V120 HydrophobicContact CG-CG1 4.34Å; V120-V221 HydrophobicContact CB-CG1 3.62Å; V120-V221 HydrophobicContact CG1-CG1 3.87Å; V120-V221 HydrophobicContact CG2-CG1 3.66Å; V120-T222 CarbonylContact C-O 3.58Å; V120-T222 VanDerWaalsContact CA-O 3.24Å; V120-T222 WeakPolarHBondContact CA-O 3.34Å; V120-T222 WeakPolarHBondContact CB-O 3.5Å; V120-L223 HydrophobicContact CG1-CD1 4.14Å |
| 121 | V | 97.8 | Very high | 97.9 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 130.3 | 169.5 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | K109 K123 V221 T222 W224 | K109-V121 HydrophobicContact CB-CG1 4.02Å; K109-V121 HydrophobicContact CD-CG1 4.03Å; K109-V121 HydrophobicContact CG-CG1 4.44Å; V121-K123 HydrophobicContact CG1-CG 4.23Å; V121-V221 CarbonylContact O-C 3.59Å; V121-V221 WeakPolarHBondContact O-CA 3.17Å; V121-T222 PolarHBondContact N-O 3.43Å; V121-T222 PolarHBondContact O-N 2.89Å; V121-W224 HydrophobicContact CG2-CE3 3.63Å; V121-W224 HydrophobicContact CG2-CZ3 3.52Å |
| 122 | F | 98.4 | Very high | 97.9 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.5 | 170.7 | 179 | -103.6 | 0 | 0 | 0 | 110.5 | K109 A110 L112 P124 V170 M217 S220 V221 | K109-F122 WeakPolarHBondContact CA-O 3.31Å; A110-F122 HydrophobicContact CB-CB 4.37Å; A110-F122 HydrophobicContact CB-CD1 4.48Å; A110-F122 PolarHBondContact N-O 2.81Å; A110-F122 PolarHBondContact O-N 3.15Å; L112-F122 HydrophobicContact CD1-CB 3.57Å; L112-F122 HydrophobicContact CD1-CD2 4.43Å; L112-F122 HydrophobicContact CD1-CG 4.06Å; L112-F122 HydrophobicContact CG-CB 3.9Å; F122-P124 HydrophobicContact CE1-CB 3.96Å; F122-V170 HydrophobicContact CD2-CG2 4.47Å; F122-V170 HydrophobicContact CE2-CG2 3.87Å; F122-V170 HydrophobicContact CZ-CG2 4.23Å; F122-M217 HydrophobicContact CE1-CG 4.32Å; F122-M217 HydrophobicContact CE1-SD 3.9Å; F122-M217 HydrophobicContact CZ-CG 4.07Å; F122-M217 HydrophobicContact CZ-SD 4.25Å; F122-S220 VanDerWaalsContact CA-O 3.28Å; F122-S220 WeakPolarHBondContact CA-O 3.44Å; F122-S220 WeakPolarHBondContact CD2-O 3.31Å; F122-V221 HydrophobicContact CD2-CG2 4.08Å |
| 123 | K | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.6 | 171.3 | -64.7 | -167 | -178.5 | -175.2 | 0 | 108.9 | K109 V121 D142 H144 E147 G219 S220 D309 A311 | K109-K123 HydrophobicContact CB-CG 4.23Å; V121-K123 HydrophobicContact CG1-CG 4.23Å; K123-D142 HydrophobicContact CD-CB 4.37Å; K123-D142 WeakPolarHBondContact CE-OD2 3.25Å; K123-D142 IonicContact NZ-OD2 2.71Å; K123-D142 PolarHBondContact NZ-OD2 3.21Å; K123-H144 VanDerWaalsContact O-CB 3.23Å; K123-H144 WeakPolarHBondContact O-CB 3.34Å; K123-E147 HydrophobicContact CD-CG 4.13Å; K123-E147 WeakPolarHBondContact CE-OE1 3.49Å; K123-E147 IonicContact NZ-OE1 3.58Å; K123-E147 PolarHBondContact NZ-OE1 3.32Å; K123-G219 CarbonylContact O-C 3.5Å; K123-G219 WeakPolarHBondContact O-CA 3.46Å; K123-S220 PolarHBondContact N-O 2.04Å; K123-S220 PolarHBondContact O-N 3.48Å; K123-D309 IonicContact NZ-OD1 3.01Å; K123-D309 PolarHBondContact NZ-OD1 3.39Å; K123-A311 HydrophobicContact CD-CB 3.95Å |
| 124 | P | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 153.7 | -176.3 | 32.4 | -36.4 | 0 | 0 | 0 | 111.5 | L108 F122 R126 F197 A210 M217 | L108-P124 HydrophobicContact CD2-CG 3.93Å; L108-P124 HydrophobicContact CG-CG 4.04Å; F122-P124 HydrophobicContact CE1-CB 3.96Å; P124-R126 PolarHBondContact O-N 2.91Å; P124-F197 HydrophobicContact CB-CZ 4.38Å; P124-F197 HydrophobicContact CG-CZ 4.16Å; P124-A210 HydrophobicContact CB-CB 3.83Å; P124-A210 HydrophobicContact CG-CB 3.67Å; P124-M217 HydrophobicContact CB-CE 4.24Å; P124-M217 HydrophobicContact CB-CG 4.26Å; P124-M217 HydrophobicContact CB-SD 3.38Å; P124-M217 WeakPolarHBondContact CB-SD 3.47Å |
| 125 | K | 98.6 | Very high | 97.4 | Very high | 74 Ų | 74 | 53.8 Ų | 53.8 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | trans | -58.4 | 131.6 | 168.8 | 177.5 | 175.2 | -176.8 | 175.7 | 0 | 111.2 | Y127 H144 E218 | K125-Y127 VanDerWaalsContact CE-O 3.32Å; K125-Y127 WeakPolarHBondContact CE-O 3.4Å; K125-Y127 WeakPolarHBondContact CG-O 3.45Å; K125-H144 WeakPolarHBondContact CA-ND1 3.42Å; K125-E218 HydrophobicContact CB-CB 4.21Å; K125-E218 VanDerWaalsContact CB-O 3.23Å; K125-E218 WeakPolarHBondContact CB-O 3.4Å; K125-E218 HydrophobicContact CD-CB 4.03Å; K125-E218 HydrophobicContact CD-CG 4.43Å; K125-E218 WeakPolarHBondContact CD-OE2 3.3Å; K125-E218 PolarHBondContact N-O 3.08Å; K125-E218 IonicContact NZ-OE2 2.73Å; K125-E218 PolarHBondContact NZ-OE2 3.21Å | ||
| 126 | R | 97.9 | Very high | 97.2 | Very high | 44 Ų | 44 | 54.9 Ų | 54.9 | 17% | 0.166 | 31% | 0.312 | C | S | . | . | trans | -117.7 | -24.5 | 176.7 | -59 | -57.1 | -57.3 | -75.5 | 5.4 | 113.9 | P124 Y141 E208 | P124-R126 PolarHBondContact O-N 2.91Å; R126-Y141 HydrophobicContact CB-CD2 3.97Å; R126-Y141 HydrophobicContact CB-CG 4.28Å; R126-Y141 HydrophobicContact CG-CD2 4.42Å; R126-Y141 HydrophobicContact CG-CG 4.32Å; R126-Y141 VanDerWaalsContact NH2-CE2 3.28Å; R126-E208 PolarHBondContact NH2-O 2.85Å | ||
| 127 | Y | 98.1 | Very high | 97 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 15% | 0.145 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -135.6 | 160.1 | -176.7 | -59.5 | -67.4 | 0 | 0 | 0 | 111.3 | K125 Y131 G140 Y141 R143 | K125-Y127 VanDerWaalsContact CE-O 3.32Å; K125-Y127 WeakPolarHBondContact CE-O 3.4Å; K125-Y127 WeakPolarHBondContact CG-O 3.45Å; Y127-Y131 AromaticContact CD1-CD1 3.38Å; Y127-Y131 HydrophobicContact CD1-CD1 3.38Å; Y127-Y131 AromaticContact CD1-CD2 3.94Å; Y127-Y131 HydrophobicContact CD1-CD2 3.94Å; Y127-Y131 AromaticContact CD1-CE1 3.45Å; Y127-Y131 HydrophobicContact CD1-CE1 3.45Å; Y127-Y131 VanDerWaalsContact CD1-CE1 3.45Å; Y127-Y131 HydrophobicContact CD1-CE2 4.02Å; Y127-Y131 AromaticContact CD1-CG 3.64Å; Y127-Y131 HydrophobicContact CD1-CG 3.64Å; Y127-Y131 AromaticContact CD1-CZ 3.78Å; Y127-Y131 HydrophobicContact CD2-CD1 4.19Å; Y127-Y131 HydrophobicContact CD2-CE1 4.49Å; Y127-Y131 AromaticContact CE1-CD1 3.79Å; Y127-Y131 HydrophobicContact CE1-CD1 3.79Å; Y127-Y131 AromaticContact CE1-CE1 3.32Å; Y127-Y131 HydrophobicContact CE1-CE1 3.32Å; Y127-Y131 HydrophobicContact CE1-CE2 4.17Å; Y127-Y131 HydrophobicContact CE1-CG 4.37Å; Y127-Y131 AromaticContact CE1-CZ 3.55Å; Y127-Y131 HydrophobicContact CE2-CE1 4.38Å; Y127-Y131 AromaticContact CG-CD1 3.6Å; Y127-Y131 HydrophobicContact CG-CD1 3.6Å; Y127-Y131 HydrophobicContact CG-CE1 4.05Å; Y127-Y131 AromaticContact CG-CG 3.94Å; Y127-Y131 HydrophobicContact CG-CG 3.94Å; Y127-Y131 AromaticContact CZ-CE1 3.81Å; Y127-G140 WeakPolarHBondContact OH-CA 3.37Å; Y127-Y141 AromaticContact CE1-CD2 3.95Å; Y127-Y141 HydrophobicContact CE1-CD2 3.95Å; Y127-Y141 HydrophobicContact CE1-CE2 4.37Å; Y127-Y141 AromaticContact CE2-CD2 3.78Å; Y127-Y141 HydrophobicContact CE2-CD2 3.78Å; Y127-Y141 HydrophobicContact CE2-CG 4.2Å; Y127-Y141 AromaticContact CZ-CD2 3.34Å; Y127-Y141 WeakPolarHBondContact OH-CD2 3.48Å; Y127-Y141 PolarHBondContact OH-N 2.96Å; Y127-Y141 VanDerWaalsContact OH-N 3.09Å; Y127-R143 HydrophobicContact CD2-CG 3.86Å; Y127-R143 HydrophobicContact CE2-CG 4.41Å |
| 128 | S | 97.5 | Very high | 96.7 | Very high | 71 Ų | 71 | 54.4 Ų | 54.4 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | trans | -69.9 | 163.2 | 164.8 | 59.8 | 0 | 0 | 0 | 0 | 110.5 | D130 Y131 | S128-D130 PolarHBondContact O-N 3.32Å; S128-Y131 WeakPolarHBondContact O-CB 3.4Å; S128-Y131 PolarHBondContact O-N 2.84Å | ||
| 129 | R | 97.4 | Very high | 96.6 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 14% | 0.143 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -27.3 | -179.8 | -68.4 | -64.5 | -168.8 | -80.2 | -9.6 | 113.8 | H144 E218 I363 P365 V366 | R129-H144 PolarHBondContact NH1-CE1 2.99Å; R129-H144 PolarHBondContact NH1-NE2 2.78Å; R129-E218 IonicContact CZ-OE1 2.66Å; R129-E218 IonicContact NH1-OE1 3.13Å; R129-E218 PolarHBondContact NH1-OE1 3.28Å; R129-E218 IonicContact NH2-OE1 3.43Å; R129-E218 PolarHBondContact NH2-OE1 3.4Å; R129-I363 PolarHBondContact NH2-O 3.01Å; R129-P365 PolarHBondContact NE-O 3.47Å; R129-P365 PolarHBondContact NH2-O 2.81Å; R129-V366 WeakPolarHBondContact CD-O 3.41Å; R129-V366 PolarHBondContact NE-O 3.02Å |
| 130 | D | 96.5 | Very high | 96.4 | Very high | 122 Ų | 122 | 52.1 Ų | 52.1 | 65% | 0.652 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 3.7 | -177.8 | -53.3 | -47 | 0 | 0 | 0 | 112.9 | S128 V132 S368 | S128-D130 PolarHBondContact O-N 3.32Å; D130-V132 PolarHBondContact O-N 3.15Å; D130-S368 WeakPolarHBondContact OD1-CB 3.3Å |
| 131 | Y | 98.1 | Very high | 96.4 | Very high | 104 Ų | 104 | 54.6 Ų | 54.6 | 41% | 0.408 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 127.1 | 177.6 | -175.1 | -91.6 | 0 | 0 | 0 | 110.4 | Y127 S128 V133 | Y127-Y131 AromaticContact CD1-CD1 3.38Å; Y127-Y131 HydrophobicContact CD1-CD1 3.38Å; Y127-Y131 AromaticContact CD1-CD2 3.94Å; Y127-Y131 HydrophobicContact CD1-CD2 3.94Å; Y127-Y131 AromaticContact CD1-CE1 3.45Å; Y127-Y131 HydrophobicContact CD1-CE1 3.45Å; Y127-Y131 VanDerWaalsContact CD1-CE1 3.45Å; Y127-Y131 HydrophobicContact CD1-CE2 4.02Å; Y127-Y131 AromaticContact CD1-CG 3.64Å; Y127-Y131 HydrophobicContact CD1-CG 3.64Å; Y127-Y131 AromaticContact CD1-CZ 3.78Å; Y127-Y131 HydrophobicContact CD2-CD1 4.19Å; Y127-Y131 HydrophobicContact CD2-CE1 4.49Å; Y127-Y131 AromaticContact CE1-CD1 3.79Å; Y127-Y131 HydrophobicContact CE1-CD1 3.79Å; Y127-Y131 AromaticContact CE1-CE1 3.32Å; Y127-Y131 HydrophobicContact CE1-CE1 3.32Å; Y127-Y131 HydrophobicContact CE1-CE2 4.17Å; Y127-Y131 HydrophobicContact CE1-CG 4.37Å; Y127-Y131 AromaticContact CE1-CZ 3.55Å; Y127-Y131 HydrophobicContact CE2-CE1 4.38Å; Y127-Y131 AromaticContact CG-CD1 3.6Å; Y127-Y131 HydrophobicContact CG-CD1 3.6Å; Y127-Y131 HydrophobicContact CG-CE1 4.05Å; Y127-Y131 AromaticContact CG-CG 3.94Å; Y127-Y131 HydrophobicContact CG-CG 3.94Å; Y127-Y131 AromaticContact CZ-CE1 3.81Å; S128-Y131 WeakPolarHBondContact O-CB 3.4Å; S128-Y131 PolarHBondContact O-N 2.84Å; Y131-V133 HydrophobicContact CD1-CG2 4.01Å; Y131-V133 HydrophobicContact CE1-CG2 3.89Å |
| 132 | V | 98 | Very high | 96.4 | Very high | 59 Ų | 59 | 54.6 Ų | 54.6 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -98.6 | 125.2 | 175.2 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | D130 N316 | D130-V132 PolarHBondContact O-N 3.15Å; V132-N316 HydrophobicContact CG1-CB 4.17Å; V132-N316 WeakPolarHBondContact CG1-ND2 3.28Å |
| 133 | V | 97.9 | Very high | 96.4 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 10% | 0.103 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -83 | 121.4 | 172.8 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | Y131 A139 G315 N316 | Y131-V133 HydrophobicContact CD1-CG2 4.01Å; Y131-V133 HydrophobicContact CE1-CG2 3.89Å; V133-A139 HydrophobicContact CG1-CB 4.08Å; V133-G315 PolarHBondContact N-O 3.14Å; V133-N316 PolarHBondContact O-ND2 3.3Å |
| 134 | E | 95.4 | Very high | 96.4 | Very high | 160 Ų | 160 | 55 Ų | 55 | 75% | 0.748 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -103.2 | 166.6 | 176.5 | -60.6 | -174.2 | 159.1 | 0 | 0 | 111.4 | ||
| 135 | G | 93.6 | Very high | 96.4 | Very high | 70 Ų | 70 | 55.4 Ų | 55.4 | 72% | 0.722 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 93 | -145.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 136 | E | 92.6 | Very high | 96.4 | Very high | 114 Ų | 114 | 51.9 Ų | 51.9 | 53% | 0.533 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -59.7 | 148.6 | -178.1 | -66.7 | -65.6 | 138 | 0 | 0 | 112.2 | Y138 A139 | E136-Y138 HydrophobicContact CB-CD1 4.19Å; E136-Y138 HydrophobicContact CB-CE1 3.77Å; E136-Y138 HydrophobicContact CB-CE2 4.18Å; E136-Y138 HydrophobicContact CG-CE1 4.27Å; E136-Y138 PolarHBondContact O-N 2.92Å; E136-A139 HydrophobicContact CB-CB 4.42Å; E136-A139 WeakPolarHBondContact O-CB 3.26Å; E136-A139 PolarHBondContact O-N 3.35Å |
| 137 | P | 90.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 26% | 0.26 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -20 | -178.4 | -29 | 36.7 | 0 | 0 | 0 | 115.9 | A288 E321 | P137-A288 HydrophobicContact CB-CB 3.36Å; P137-E321 HydrophobicContact CB-CG 4.2Å; P137-E321 HydrophobicContact CG-CG 4.33Å; P137-E321 VanDerWaalsContact CG-OE2 3.25Å; P137-E321 WeakPolarHBondContact CG-OE2 3.33Å |
| 138 | Y | 91.9 | Very high | 96.5 | Very high | 61 Ų | 61 | 48.3 Ų | 48.3 | 24% | 0.239 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 10.2 | 179.9 | 52.8 | -88.6 | 0 | 0 | 0 | 113.6 | E136 Y242 K312 | E136-Y138 HydrophobicContact CB-CD1 4.19Å; E136-Y138 HydrophobicContact CB-CE1 3.77Å; E136-Y138 HydrophobicContact CB-CE2 4.18Å; E136-Y138 HydrophobicContact CG-CE1 4.27Å; E136-Y138 PolarHBondContact O-N 2.92Å; Y138-Y242 HydrophobicContact CD1-CD1 4.16Å; Y138-Y242 AromaticContact CD1-CE1 3.95Å; Y138-Y242 HydrophobicContact CD1-CE1 3.95Å; Y138-Y242 AromaticContact CD2-CD1 3.74Å; Y138-Y242 HydrophobicContact CD2-CD1 3.74Å; Y138-Y242 AromaticContact CD2-CE1 3.81Å; Y138-Y242 HydrophobicContact CD2-CE1 3.81Å; Y138-Y242 HydrophobicContact CE1-CD1 4.12Å; Y138-Y242 HydrophobicContact CE1-CE1 4.37Å; Y138-Y242 AromaticContact CE2-CD1 3.68Å; Y138-Y242 HydrophobicContact CE2-CD1 3.68Å; Y138-Y242 HydrophobicContact CE2-CE1 4.21Å; Y138-Y242 AromaticContact CG-CD1 3.99Å; Y138-Y242 HydrophobicContact CG-CD1 3.99Å; Y138-Y242 AromaticContact CG-CE1 3.67Å; Y138-Y242 HydrophobicContact CG-CE1 3.67Å; Y138-Y242 AromaticContact CZ-CD1 3.89Å; Y138-K312 PolarHBondContact O-NZ 3.49Å |
| 139 | A | 94.4 | Very high | 96.6 | Very high | 28 Ų | 28 | 45 Ų | 45 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | trans | -69.4 | 170.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V133 E136 | V133-A139 HydrophobicContact CG1-CB 4.08Å; E136-A139 HydrophobicContact CB-CB 4.42Å; E136-A139 WeakPolarHBondContact O-CB 3.26Å; E136-A139 PolarHBondContact O-N 3.35Å | ||
| 140 | G | 95.5 | Very high | 96.7 | Very high | 28 Ų | 28 | 43.1 Ų | 43.1 | 29% | 0.289 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 75.9 | 178.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y127 K312 | Y127-G140 WeakPolarHBondContact OH-CA 3.37Å; G140-K312 PolarHBondContact O-NZ 3.18Å |
| 141 | Y | 97.1 | Very high | 96.8 | Very high | 52 Ų | 52 | 37.4 Ų | 37.4 | 20% | 0.204 | 21% | 0.207 | C | C | . | . | trans | -78.8 | 161.7 | 175.8 | -53.3 | -59.5 | 0 | 0 | 0 | 112.6 | R126 Y127 R143 E208 | R126-Y141 HydrophobicContact CB-CD2 3.97Å; R126-Y141 HydrophobicContact CB-CG 4.28Å; R126-Y141 HydrophobicContact CG-CD2 4.42Å; R126-Y141 HydrophobicContact CG-CG 4.32Å; R126-Y141 VanDerWaalsContact NH2-CE2 3.28Å; Y127-Y141 AromaticContact CE1-CD2 3.95Å; Y127-Y141 HydrophobicContact CE1-CD2 3.95Å; Y127-Y141 HydrophobicContact CE1-CE2 4.37Å; Y127-Y141 AromaticContact CE2-CD2 3.78Å; Y127-Y141 HydrophobicContact CE2-CD2 3.78Å; Y127-Y141 HydrophobicContact CE2-CG 4.2Å; Y127-Y141 AromaticContact CZ-CD2 3.34Å; Y127-Y141 WeakPolarHBondContact OH-CD2 3.48Å; Y127-Y141 PolarHBondContact OH-N 2.96Å; Y127-Y141 VanDerWaalsContact OH-N 3.09Å; Y141-R143 PolarHBondContact O-N 2.88Å; Y141-R143 PolarHBondContact O-NH1 2.6Å; Y141-E208 WeakPolarHBondContact OH-CB 3.47Å; Y141-E208 VanDerWaalsContact OH-CD 3.26Å; Y141-E208 WeakPolarHBondContact OH-CG 3.27Å; Y141-E208 PolarHBondContact OH-OE1 2.89Å | ||
| 142 | D | 97.7 | Very high | 96.8 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 10% | 0.096 | 19% | 0.188 | C | C | . | . | trans | -53.5 | 132 | 162.3 | -86.1 | 17.1 | 0 | 0 | 0 | 110.8 | Q107 K123 A311 | Q107-D142 HydrophobicContact CB-CB 4.26Å; Q107-D142 WeakPolarHBondContact CG-OD1 3.08Å; K123-D142 HydrophobicContact CD-CB 4.37Å; K123-D142 WeakPolarHBondContact CE-OD2 3.25Å; K123-D142 IonicContact NZ-OD2 2.71Å; K123-D142 PolarHBondContact NZ-OD2 3.21Å; D142-A311 HydrophobicContact CB-CB 3.48Å; D142-A311 VanDerWaalsContact CB-CB 3.48Å; D142-A311 WeakPolarHBondContact OD2-CB 3.36Å | ||
| 143 | R | 98.4 | Very high | 96.8 | Very high | 14 Ų | 14 | 29.8 Ų | 29.8 | 5% | 0.053 | 17% | 0.171 | C | C | . | . | trans | -104.9 | 116.9 | 178.2 | -72.1 | 164.7 | -65.2 | -97.5 | 9.8 | 109.3 | Y127 Y141 N145 A146 A311 K312 S313 | Y127-R143 HydrophobicContact CD2-CG 3.86Å; Y127-R143 HydrophobicContact CE2-CG 4.41Å; Y141-R143 PolarHBondContact O-N 2.88Å; Y141-R143 PolarHBondContact O-NH1 2.6Å; R143-N145 VanDerWaalsContact C-N 3.33Å; R143-N145 PolarHBondContact O-N 3.08Å; R143-A146 HydrophobicContact CB-CB 3.89Å; R143-A146 WeakPolarHBondContact O-CB 3.48Å; R143-A146 PolarHBondContact O-N 3.24Å; R143-A146 VanDerWaalsContact O-N 3.15Å; R143-A311 PolarHBondContact N-O 3.33Å; R143-K312 PolarHBondContact NH2-O 3.36Å; R143-S313 VanDerWaalsContact CZ-O 3.26Å; R143-S313 PolarHBondContact NE-O 3.06Å; R143-S313 PolarHBondContact NH2-O 3.15Å | ||
| 144 | H | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | -177 | 70.1 | -60.8 | 0 | 0 | 0 | 112.5 | K123 K125 R129 A146 E147 V148 E218 S220 | K123-H144 VanDerWaalsContact O-CB 3.23Å; K123-H144 WeakPolarHBondContact O-CB 3.34Å; K125-H144 WeakPolarHBondContact CA-ND1 3.42Å; R129-H144 PolarHBondContact NH1-CE1 2.99Å; R129-H144 PolarHBondContact NH1-NE2 2.78Å; H144-A146 PolarHBondContact O-N 3.07Å; H144-E147 PolarHBondContact O-N 3Å; H144-V148 PolarHBondContact O-N 3.13Å; H144-E218 IonicContact CD2-OE1 2.74Å; H144-E218 IonicContact CE1-OE1 3.55Å; H144-E218 IonicContact NE2-OE1 3.48Å; H144-E218 PolarHBondContact NE2-OE1 2.94Å; H144-S220 VanDerWaalsContact O-CB 3.28Å; H144-S220 WeakPolarHBondContact O-CB 3.43Å; H144-S220 PolarHBondContact O-OG 3.17Å |
| 145 | N | 98.8 | Very high | 97 | Very high | 12 Ų | 12 | 22.6 Ų | 22.6 | 6% | 0.064 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.5 | -26.5 | 177.2 | 66.6 | -56 | 0 | 0 | 0 | 112.5 | R143 V148 A149 I363 V366 | R143-N145 VanDerWaalsContact C-N 3.33Å; R143-N145 PolarHBondContact O-N 3.08Å; N145-V148 PolarHBondContact O-N 2.93Å; N145-A149 WeakPolarHBondContact O-CB 3.45Å; N145-A149 PolarHBondContact O-N 3.32Å; N145-I363 HydrophobicContact CB-CD1 4.43Å; N145-V366 HydrophobicContact CB-CG1 4.11Å; N145-V366 WeakPolarHBondContact CB-O 3.5Å; N145-V366 PolarHBondContact ND2-O 3.44Å; N145-V366 WeakPolarHBondContact O-CG1 3.49Å |
| 146 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.5 | -36.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R143 H144 A149 A150 S313 F314 | R143-A146 HydrophobicContact CB-CB 3.89Å; R143-A146 WeakPolarHBondContact O-CB 3.48Å; R143-A146 PolarHBondContact O-N 3.24Å; R143-A146 VanDerWaalsContact O-N 3.15Å; H144-A146 PolarHBondContact O-N 3.07Å; A146-A149 PolarHBondContact O-N 3.47Å; A146-A150 WeakPolarHBondContact O-CB 3.47Å; A146-A150 PolarHBondContact O-N 3.39Å; A146-S313 WeakPolarHBondContact CB-O 3.12Å; A146-F314 HydrophobicContact CB-CB 4.37Å; A146-F314 HydrophobicContact CB-CD2 3.83Å |
| 147 | E | 98.8 | Very high | 97.5 | Very high | 6 Ų | 6 | 14.1 Ų | 14.1 | 3% | 0.028 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64 | -43.1 | 174.5 | -65.2 | -74 | -170.4 | 0 | 0 | 111.8 | K123 H144 A150 F151 V165 N310 A311 | K123-E147 HydrophobicContact CD-CG 4.13Å; K123-E147 WeakPolarHBondContact CE-OE1 3.49Å; K123-E147 IonicContact NZ-OE1 3.58Å; K123-E147 PolarHBondContact NZ-OE1 3.32Å; H144-E147 PolarHBondContact O-N 3Å; E147-A150 PolarHBondContact O-N 2.93Å; E147-F151 PolarHBondContact O-N 3.23Å; E147-V165 HydrophobicContact CB-CG1 3.92Å; E147-N310 PolarHBondContact OE1-N 3.39Å; E147-N310 PolarHBondContact OE2-N 3.36Å; E147-N310 VanDerWaalsContact OE2-N 3.08Å; E147-A311 VanDerWaalsContact CD-N 3.33Å; E147-A311 HydrophobicContact CG-CB 3.77Å; E147-A311 VanDerWaalsContact OE1-CB 3.27Å; E147-A311 WeakPolarHBondContact OE1-CB 3.25Å; E147-A311 PolarHBondContact OE1-N 3.15Å; E147-A311 VanDerWaalsContact OE1-N 3.08Å |
| 148 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.4 | -50.6 | 177.2 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | H144 N145 A150 F151 H152 V165 D361 I363 V366 | H144-V148 PolarHBondContact O-N 3.13Å; N145-V148 PolarHBondContact O-N 2.93Å; V148-A150 VanDerWaalsContact C-N 3.34Å; V148-A150 PolarHBondContact O-N 3.45Å; V148-F151 PolarHBondContact O-N 3.43Å; V148-H152 PolarHBondContact O-CD2 3.28Å; V148-H152 VanDerWaalsContact O-CD2 3.23Å; V148-H152 PolarHBondContact O-N 2.82Å; V148-H152 VanDerWaalsContact O-N 3.16Å; V148-V165 HydrophobicContact CB-CG1 4.48Å; V148-V165 HydrophobicContact CG2-CG1 3.82Å; V148-D361 HydrophobicContact CG1-CB 4.45Å; V148-D361 WeakPolarHBondContact CG1-OD2 3.17Å; V148-I363 HydrophobicContact CG2-CD1 4.27Å; V148-V366 HydrophobicContact CB-CG1 3.87Å; V148-V366 HydrophobicContact CG1-CG1 3.83Å; V148-V366 HydrophobicContact CG1-CG2 3.95Å |
| 149 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62.4 | -39.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N145 A146 H152 L153 F314 M358 V366 L367 | N145-A149 WeakPolarHBondContact O-CB 3.45Å; N145-A149 PolarHBondContact O-N 3.32Å; A146-A149 PolarHBondContact O-N 3.47Å; A149-H152 PolarHBondContact O-N 2.93Å; A149-L153 WeakPolarHBondContact O-CB 3.08Å; A149-L153 PolarHBondContact O-N 3.09Å; A149-F314 HydrophobicContact CB-CD2 4.15Å; A149-F314 HydrophobicContact CB-CE2 3.57Å; A149-F314 HydrophobicContact CB-CZ 3.94Å; A149-M358 HydrophobicContact CB-SD 3.78Å; A149-V366 HydrophobicContact CB-CG1 4.18Å; A149-L367 HydrophobicContact CB-CD1 3.81Å; A149-L367 HydrophobicContact CB-CD2 3.85Å; A149-L367 HydrophobicContact CB-CG 3.81Å |
| 150 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | A146 E147 V148 H152 L153 D154 F281 I285 N310 | A146-A150 WeakPolarHBondContact O-CB 3.47Å; A146-A150 PolarHBondContact O-N 3.39Å; E147-A150 PolarHBondContact O-N 2.93Å; V148-A150 VanDerWaalsContact C-N 3.34Å; V148-A150 PolarHBondContact O-N 3.45Å; A150-H152 PolarHBondContact O-N 2.9Å; A150-L153 PolarHBondContact O-N 2.95Å; A150-D154 WeakPolarHBondContact O-CB 3.49Å; A150-D154 PolarHBondContact O-N 3.16Å; A150-F281 HydrophobicContact CB-CE1 4.5Å; A150-F281 HydrophobicContact CB-CZ 3.84Å; A150-F281 WeakPolarHBondContact O-CE2 3.39Å; A150-F281 WeakPolarHBondContact O-CZ 3.27Å; A150-I285 HydrophobicContact CB-CD1 4.46Å; A150-N310 HydrophobicContact CB-CB 3.44Å; A150-N310 VanDerWaalsContact CB-CB 3.44Å |
| 151 | F | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 0% | 0.004 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -59.1 | -45.8 | 173.7 | 163.2 | -115.1 | 0 | 0 | 0 | 112.1 | Y77 L84 M88 E147 V148 L153 D154 R155 P163 L164 V165 | Y77-F151 HydrophobicContact CD1-CE2 4.46Å; Y77-F151 HydrophobicContact CE1-CD2 4.42Å; Y77-F151 AromaticContact CE1-CE2 3.9Å; Y77-F151 HydrophobicContact CE1-CE2 3.9Å; L84-F151 HydrophobicContact CD1-CZ 4.31Å; M88-F151 HydrophobicContact CE-CE1 3.98Å; M88-F151 HydrophobicContact SD-CE1 4.02Å; M88-F151 HydrophobicContact SD-CZ 4.45Å; E147-F151 PolarHBondContact O-N 3.23Å; V148-F151 PolarHBondContact O-N 3.43Å; F151-L153 VanDerWaalsContact C-N 3.35Å; F151-L153 PolarHBondContact O-N 2.96Å; F151-D154 WeakPolarHBondContact O-CB 3.47Å; F151-D154 PolarHBondContact O-N 2.74Å; F151-R155 HydrophobicContact CE2-CG 4.08Å; F151-R155 HydrophobicContact CZ-CG 4.3Å; F151-R155 PolarHBondContact O-N 2.69Å; F151-R155 VanDerWaalsContact O-N 3.15Å; F151-P163 WeakPolarHBondContact CD2-O 3.47Å; F151-L164 HydrophobicContact CE2-CB 4.39Å; F151-L164 HydrophobicContact CE2-CD1 4.31Å; F151-L164 HydrophobicContact CE2-CG 4.06Å; F151-L164 HydrophobicContact CZ-CB 4.38Å; F151-L164 HydrophobicContact CZ-CG 4.01Å; F151-V165 HydrophobicContact CB-CB 3.9Å; F151-V165 HydrophobicContact CB-CG2 3.89Å; F151-V165 HydrophobicContact CD1-CB 4.39Å; F151-V165 VanDerWaalsContact CD1-O 3.31Å; F151-V165 WeakPolarHBondContact CD1-O 3.36Å; F151-V165 HydrophobicContact CG-CB 4.27Å; F151-V165 HydrophobicContact CG-CG2 4.45Å |
| 152 | H | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 9 Ų | 9 | 2% | 0.019 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -67.6 | -34.6 | 177.6 | -75.2 | -73.9 | 0 | 0 | 0 | 112.8 | V148 A149 A150 R155 I156 L354 A357 M358 | V148-H152 PolarHBondContact O-CD2 3.28Å; V148-H152 VanDerWaalsContact O-CD2 3.23Å; V148-H152 PolarHBondContact O-N 2.82Å; V148-H152 VanDerWaalsContact O-N 3.16Å; A149-H152 PolarHBondContact O-N 2.93Å; A150-H152 PolarHBondContact O-N 2.9Å; H152-R155 WeakPolarHBondContact O-CB 3.36Å; H152-R155 PolarHBondContact O-N 3.24Å; H152-I156 WeakPolarHBondContact O-CD1 3.47Å; H152-I156 VanDerWaalsContact O-CG1 3.27Å; H152-I156 WeakPolarHBondContact O-CG1 3.5Å; H152-I156 PolarHBondContact O-N 3.05Å; H152-L354 HydrophobicContact CB-CD2 4.47Å; H152-A357 HydrophobicContact CB-CB 4.08Å; H152-A357 PolarHBondContact CE1-O 3.16Å; H152-A357 PolarHBondContact ND1-O 2.89Å; H152-M358 HydrophobicContact CB-CG 4.06Å |
| 153 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -65.3 | -41.5 | 173.3 | -176.9 | 61.9 | 0 | 0 | 0 | 111.9 | A149 A150 F151 R155 I156 L157 F281 L284 I285 L350 L354 | A149-L153 WeakPolarHBondContact O-CB 3.08Å; A149-L153 PolarHBondContact O-N 3.09Å; A150-L153 PolarHBondContact O-N 2.95Å; F151-L153 VanDerWaalsContact C-N 3.35Å; F151-L153 PolarHBondContact O-N 2.96Å; L153-R155 VanDerWaalsContact C-N 3.27Å; L153-R155 PolarHBondContact O-N 3.36Å; L153-I156 PolarHBondContact O-N 2.91Å; L153-I156 VanDerWaalsContact O-N 3.09Å; L153-L157 HydrophobicContact CD1-CD1 4.05Å; L153-L157 HydrophobicContact CD1-CG 3.99Å; L153-L157 HydrophobicContact CD2-CD1 4.3Å; L153-L157 HydrophobicContact CG-CD1 3.83Å; L153-L157 HydrophobicContact CG-CG 4.19Å; L153-L157 WeakPolarHBondContact O-CG 3.48Å; L153-L157 PolarHBondContact O-N 3.48Å; L153-F281 HydrophobicContact CB-CE2 4.05Å; L153-F281 HydrophobicContact CD2-CD2 4Å; L153-F281 HydrophobicContact CD2-CE2 4.01Å; L153-F281 HydrophobicContact CG-CD2 4.19Å; L153-F281 HydrophobicContact CG-CE2 4.05Å; L153-L284 HydrophobicContact CD2-CB 3.96Å; L153-L284 HydrophobicContact CD2-CD1 4.36Å; L153-I285 HydrophobicContact CD2-CG2 3.25Å; L153-L350 HydrophobicContact CD1-CD1 3.69Å; L153-L354 HydrophobicContact CB-CD2 4.05Å; L153-L354 HydrophobicContact CD1-CD1 4.31Å; L153-L354 HydrophobicContact CD1-CD2 4.4Å; L153-L354 HydrophobicContact CD1-CG 4.5Å |
| 154 | D | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -57.1 | -41.4 | 175.5 | 174.7 | 62.9 | 0 | 0 | 0 | 111.4 | Y77 A150 F151 G158 F159 R160 R161 A162 F281 L307 | Y77-D154 PolarHBondContact OH-OD2 3.31Å; A150-D154 WeakPolarHBondContact O-CB 3.49Å; A150-D154 PolarHBondContact O-N 3.16Å; F151-D154 WeakPolarHBondContact O-CB 3.47Å; F151-D154 PolarHBondContact O-N 2.74Å; D154-G158 PolarHBondContact O-N 3.12Å; D154-G158 VanDerWaalsContact O-N 3.15Å; D154-F159 PolarHBondContact O-N 2.88Å; D154-F159 WeakPolarHBondContact OD1-CB 3.43Å; D154-R160 PolarHBondContact OD1-N 2.58Å; D154-R160 VanDerWaalsContact OD1-N 3.1Å; D154-R160 WeakPolarHBondContact OD2-CA 3.37Å; D154-R160 PolarHBondContact OD2-N 3.1Å; D154-R161 PolarHBondContact OD1-N 3.14Å; D154-R161 PolarHBondContact OD2-N 3.3Å; D154-A162 HydrophobicContact CB-CB 3.84Å; D154-A162 WeakPolarHBondContact OD2-CB 3.47Å; D154-A162 PolarHBondContact OD2-N 3.4Å; D154-F281 HydrophobicContact CB-CE2 4.05Å; D154-L307 HydrophobicContact CB-CD1 4.41Å; D154-L307 WeakPolarHBondContact OD1-CD1 3.45Å |
| 155 | R | 97.6 | Very high | 98.4 | Very high | 26 Ų | 26 | 8 Ų | 8 | 10% | 0.098 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -61.4 | -47.3 | 171 | -68.1 | 178.9 | 65.8 | -145.5 | -7.4 | 112.6 | G47 Y77 L84 F151 H152 L153 G158 | G47-R155 PolarHBondContact O-NH2 3.32Å; Y77-R155 HydrophobicContact CE1-CG 4.5Å; Y77-R155 HydrophobicContact CE2-CG 3.75Å; Y77-R155 VanDerWaalsContact OH-CA 3.32Å; Y77-R155 WeakPolarHBondContact OH-CA 3.23Å; Y77-R155 WeakPolarHBondContact OH-CG 3.25Å; Y77-R155 PolarHBondContact OH-N 3.34Å; L84-R155 VanDerWaalsContact CD2-CZ 3.44Å; F151-R155 HydrophobicContact CE2-CG 4.08Å; F151-R155 HydrophobicContact CZ-CG 4.3Å; F151-R155 PolarHBondContact O-N 2.69Å; F151-R155 VanDerWaalsContact O-N 3.15Å; H152-R155 WeakPolarHBondContact O-CB 3.36Å; H152-R155 PolarHBondContact O-N 3.24Å; L153-R155 VanDerWaalsContact C-N 3.27Å; L153-R155 PolarHBondContact O-N 3.36Å; R155-G158 PolarHBondContact O-N 3.14Å |
| 156 | I | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | -177.2 | -71.2 | 160.5 | 0 | 0 | 0 | 111.7 | M44 L48 H152 L153 G158 R341 L345 L350 A353 L354 A357 | M44-I156 WeakPolarHBondContact CE-O 3.34Å; M44-I156 HydrophobicContact SD-CG1 4.48Å; L48-I156 HydrophobicContact CD2-CD1 4.34Å; L48-I156 HydrophobicContact CD2-CG1 3.52Å; H152-I156 WeakPolarHBondContact O-CD1 3.47Å; H152-I156 VanDerWaalsContact O-CG1 3.27Å; H152-I156 WeakPolarHBondContact O-CG1 3.5Å; H152-I156 PolarHBondContact O-N 3.05Å; L153-I156 PolarHBondContact O-N 2.91Å; L153-I156 VanDerWaalsContact O-N 3.09Å; I156-G158 PolarHBondContact O-N 2.9Å; I156-R341 WeakPolarHBondContact O-CD 3.42Å; I156-L345 HydrophobicContact CG2-CD1 3.93Å; I156-L345 HydrophobicContact CG2-CD2 3.55Å; I156-L345 HydrophobicContact CG2-CG 4.42Å; I156-L350 HydrophobicContact CG2-CD1 3.71Å; I156-A353 HydrophobicContact CD1-CB 3.92Å; I156-A353 HydrophobicContact CG1-CB 4.17Å; I156-A353 HydrophobicContact CG2-CB 4.15Å; I156-L354 HydrophobicContact CD1-CB 4.23Å; I156-L354 HydrophobicContact CD1-CD2 3.64Å; I156-L354 HydrophobicContact CD1-CG 3.68Å; I156-A357 HydrophobicContact CD1-CB 4.25Å |
| 157 | L | 98.3 | Very high | 98.4 | Very high | 5 Ų | 5 | 7.5 Ų | 7.5 | 3% | 0.026 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -74 | -12.4 | 175.3 | -64 | 174.8 | 0 | 0 | 0 | 112.1 | L153 F159 F281 L284 R341 L342 L345 | L153-L157 HydrophobicContact CD1-CD1 4.05Å; L153-L157 HydrophobicContact CD1-CG 3.99Å; L153-L157 HydrophobicContact CD2-CD1 4.3Å; L153-L157 HydrophobicContact CG-CD1 3.83Å; L153-L157 HydrophobicContact CG-CG 4.19Å; L153-L157 WeakPolarHBondContact O-CG 3.48Å; L153-L157 PolarHBondContact O-N 3.48Å; L157-F159 HydrophobicContact CB-CD1 4.34Å; L157-F159 HydrophobicContact CB-CD2 3.72Å; L157-F159 HydrophobicContact CB-CE1 4.43Å; L157-F159 HydrophobicContact CB-CE2 3.83Å; L157-F159 HydrophobicContact CB-CG 3.99Å; L157-F159 HydrophobicContact CB-CZ 4.19Å; L157-F159 HydrophobicContact CD1-CD2 3.81Å; L157-F159 HydrophobicContact CD1-CE2 3.41Å; L157-F159 VanDerWaalsContact CD1-CE2 3.41Å; L157-F159 HydrophobicContact CD1-CZ 4.18Å; L157-F159 HydrophobicContact CG-CD2 4.43Å; L157-F159 HydrophobicContact CG-CE2 4.22Å; L157-F159 PolarHBondContact O-N 3.01Å; L157-F281 HydrophobicContact CD1-CD2 3.96Å; L157-L284 HydrophobicContact CD1-CD1 3.99Å; L157-L284 HydrophobicContact CD2-CD1 4.25Å; L157-R341 WeakPolarHBondContact O-CG 3.16Å; L157-R341 PolarHBondContact O-NE 3Å; L157-L342 HydrophobicContact CD2-CD2 3.92Å; L157-L345 HydrophobicContact CD2-CD1 3.71Å |
| 158 | G | 96.4 | Very high | 98.4 | Very high | 19 Ų | 19 | 7.5 Ų | 7.5 | 20% | 0.196 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 22.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D154 R155 I156 R160 | D154-G158 PolarHBondContact O-N 3.12Å; D154-G158 VanDerWaalsContact O-N 3.15Å; R155-G158 PolarHBondContact O-N 3.14Å; I156-G158 PolarHBondContact O-N 2.9Å; G158-R160 PolarHBondContact O-NH1 3.21Å |
| 159 | F | 97.6 | Very high | 98.4 | Very high | 11 Ų | 11 | 12.4 Ų | 12.4 | 5% | 0.048 | 6% | 0.058 | C | C | . | . | trans | -74.5 | -43.3 | 179.4 | -75.2 | -21.8 | 0 | 0 | 0 | 111.7 | D154 L157 R161 D277 F281 T338 | D154-F159 PolarHBondContact O-N 2.88Å; D154-F159 WeakPolarHBondContact OD1-CB 3.43Å; L157-F159 HydrophobicContact CB-CD1 4.34Å; L157-F159 HydrophobicContact CB-CD2 3.72Å; L157-F159 HydrophobicContact CB-CE1 4.43Å; L157-F159 HydrophobicContact CB-CE2 3.83Å; L157-F159 HydrophobicContact CB-CG 3.99Å; L157-F159 HydrophobicContact CB-CZ 4.19Å; L157-F159 HydrophobicContact CD1-CD2 3.81Å; L157-F159 HydrophobicContact CD1-CE2 3.41Å; L157-F159 VanDerWaalsContact CD1-CE2 3.41Å; L157-F159 HydrophobicContact CD1-CZ 4.18Å; L157-F159 HydrophobicContact CG-CD2 4.43Å; L157-F159 HydrophobicContact CG-CE2 4.22Å; L157-F159 PolarHBondContact O-N 3.01Å; F159-R161 VanDerWaalsContact C-N 3.3Å; F159-R161 HydrophobicContact CB-CG 4.06Å; F159-R161 WeakPolarHBondContact O-CG 3.45Å; F159-R161 PolarHBondContact O-N 2.72Å; F159-D277 HydrophobicContact CD1-CB 4.46Å; F159-D277 HydrophobicContact CE1-CB 3.77Å; F159-D277 HydrophobicContact CE2-CB 4.36Å; F159-D277 WeakPolarHBondContact CE2-O 3.12Å; F159-D277 HydrophobicContact CZ-CB 3.71Å; F159-F281 HydrophobicContact CD2-CB 4.39Å; F159-F281 HydrophobicContact CD2-CD2 4.35Å; F159-F281 HydrophobicContact CE2-CB 3.97Å; F159-T338 HydrophobicContact CE1-CG2 3.95Å; F159-T338 HydrophobicContact CZ-CG2 3.97Å | ||
| 160 | R | 97.5 | Very high | 98.4 | Very high | 56 Ų | 56 | 12.4 Ų | 12.4 | 21% | 0.211 | 6% | 0.058 | C | C | . | . | trans | 57.9 | 40.3 | 176.5 | -46.8 | -173.2 | -62 | -78 | 5.1 | 113.1 | E75 V76 Y77 D154 G158 | E75-R160 CarbonylContact C-O 3.59Å; E75-R160 WeakPolarHBondContact CA-O 3.32Å; E75-R160 HydrophobicContact CB-CB 4.1Å; E75-R160 IonicContact OE2-CZ 2.82Å; E75-R160 VanDerWaalsContact OE2-CZ 3.24Å; E75-R160 IonicContact OE2-NE 3.29Å; E75-R160 PolarHBondContact OE2-NE 3.48Å; E75-R160 IonicContact OE2-NH2 3.64Å; E75-R160 PolarHBondContact OE2-NH2 3.32Å; V76-R160 PolarHBondContact N-O 2.84Å; Y77-R160 HydrophobicContact CD2-CB 4.14Å; Y77-R160 HydrophobicContact CD2-CG 4.08Å; Y77-R160 HydrophobicContact CE1-CB 4.25Å; Y77-R160 HydrophobicContact CE2-CB 3.75Å; Y77-R160 HydrophobicContact CE2-CG 3.51Å; Y77-R160 WeakPolarHBondContact O-CB 3.21Å; Y77-R160 VanDerWaalsContact O-CD 3.23Å; Y77-R160 WeakPolarHBondContact O-CD 3.47Å; Y77-R160 PolarHBondContact O-NE 3.11Å; Y77-R160 WeakPolarHBondContact OH-CA 3.4Å; D154-R160 PolarHBondContact OD1-N 2.58Å; D154-R160 VanDerWaalsContact OD1-N 3.1Å; D154-R160 WeakPolarHBondContact OD2-CA 3.37Å; D154-R160 PolarHBondContact OD2-N 3.1Å; G158-R160 PolarHBondContact O-NH1 3.21Å | ||
| 161 | R | 98 | Very high | 98.3 | Very high | 15 Ų | 15 | 14.1 Ų | 14.1 | 6% | 0.057 | 7% | 0.067 | C | C | . | . | trans | -114.4 | -9.5 | -175 | -45.3 | -169.7 | -172 | 155.3 | 4.7 | 113.1 | D154 F159 D274 D277 M304 L305 I306 L307 | D154-R161 PolarHBondContact OD1-N 3.14Å; D154-R161 PolarHBondContact OD2-N 3.3Å; F159-R161 VanDerWaalsContact C-N 3.3Å; F159-R161 HydrophobicContact CB-CG 4.06Å; F159-R161 WeakPolarHBondContact O-CG 3.45Å; F159-R161 PolarHBondContact O-N 2.72Å; R161-D274 IonicContact CZ-OD1 3.63Å; R161-D274 IonicContact NH1-OD1 2.76Å; R161-D274 IonicContact NH2-OD1 3.59Å; R161-D277 IonicContact CZ-OD2 2.86Å; R161-D277 IonicContact NH1-OD2 2.67Å; R161-D277 PolarHBondContact NH1-OD2 2.84Å; R161-D277 IonicContact NH2-OD2 2.73Å; R161-D277 PolarHBondContact NH2-OD2 2.85Å; R161-M304 HydrophobicContact CB-CE 4.26Å; R161-M304 HydrophobicContact CB-SD 3.98Å; R161-M304 HydrophobicContact CG-CE 4.4Å; R161-M304 HydrophobicContact CG-CG 4.5Å; R161-M304 HydrophobicContact CG-SD 3.54Å; R161-M304 VanDerWaalsContact CG-SD 3.54Å; R161-L305 WeakPolarHBondContact CB-O 3.39Å; R161-L305 VanDerWaalsContact CD-O 3.25Å; R161-L305 WeakPolarHBondContact CD-O 3.41Å; R161-I306 VanDerWaalsContact O-CG2 3.31Å; R161-I306 WeakPolarHBondContact O-CG2 3.45Å; R161-L307 HydrophobicContact CB-CB 4.4Å; R161-L307 HydrophobicContact CB-CD1 4.02Å; R161-L307 HydrophobicContact CB-CG 3.87Å; R161-L307 PolarHBondContact O-N 3.03Å | ||
| 162 | A | 98.3 | Very high | 98.3 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.008 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -90.1 | 143.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y77 D154 L307 | Y77-A162 WeakPolarHBondContact CE1-O 3.25Å; D154-A162 HydrophobicContact CB-CB 3.84Å; D154-A162 WeakPolarHBondContact OD2-CB 3.47Å; D154-A162 PolarHBondContact OD2-N 3.4Å; A162-L307 HydrophobicContact CB-CB 4.11Å |
| 163 | P | 98.1 | Very high | 98.3 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 4% | 0.039 | 9% | 0.09 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 157.4 | 166.4 | 29.2 | -35.5 | 0 | 0 | 0 | 110.7 | F151 V165 T222 L225 L308 | F151-P163 WeakPolarHBondContact CD2-O 3.47Å; P163-V165 WeakPolarHBondContact O-CG2 3.46Å; P163-V165 PolarHBondContact O-N 2.68Å; P163-T222 HydrophobicContact CB-CG2 3.82Å; P163-T222 HydrophobicContact CG-CG2 3.46Å; P163-T222 VanDerWaalsContact CG-CG2 3.46Å; P163-L225 HydrophobicContact CB-CD2 4.45Å; P163-L308 HydrophobicContact CG-CD2 3.75Å |
| 164 | L | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 135.8 | 174.4 | -80 | 62.2 | 0 | 0 | 0 | 109.9 | W70 Y77 L84 I87 M91 F151 T222 L223 | W70-L164 HydrophobicContact CZ3-CD2 4.24Å; Y77-L164 HydrophobicContact CD1-CD1 3.92Å; Y77-L164 HydrophobicContact CG-CD1 4.43Å; L84-L164 HydrophobicContact CD1-CD2 3.54Å; L84-L164 HydrophobicContact CD1-CG 3.95Å; I87-L164 HydrophobicContact CB-CD2 4.35Å; I87-L164 HydrophobicContact CG2-CD2 3.6Å; M91-L164 HydrophobicContact CE-CB 4.38Å; M91-L164 WeakPolarHBondContact CE-O 3.09Å; M91-L164 HydrophobicContact SD-CB 4.1Å; F151-L164 HydrophobicContact CE2-CB 4.39Å; F151-L164 HydrophobicContact CE2-CD1 4.31Å; F151-L164 HydrophobicContact CE2-CG 4.06Å; F151-L164 HydrophobicContact CZ-CB 4.38Å; F151-L164 HydrophobicContact CZ-CG 4.01Å; L164-T222 WeakPolarHBondContact O-CA 3.24Å; L164-L223 HydrophobicContact CB-CB 4.16Å; L164-L223 HydrophobicContact CB-CD2 4.46Å; L164-L223 HydrophobicContact CD2-CD2 4.42Å; L164-L223 PolarHBondContact O-N 2.73Å |
| 165 | V | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 135.7 | 177.3 | -168.9 | 0 | 0 | 0 | 0 | 110.1 | E147 V148 F151 P163 V221 T222 | E147-V165 HydrophobicContact CB-CG1 3.92Å; V148-V165 HydrophobicContact CB-CG1 4.48Å; V148-V165 HydrophobicContact CG2-CG1 3.82Å; F151-V165 HydrophobicContact CB-CB 3.9Å; F151-V165 HydrophobicContact CB-CG2 3.89Å; F151-V165 HydrophobicContact CD1-CB 4.39Å; F151-V165 VanDerWaalsContact CD1-O 3.31Å; F151-V165 WeakPolarHBondContact CD1-O 3.36Å; F151-V165 HydrophobicContact CG-CB 4.27Å; F151-V165 HydrophobicContact CG-CG2 4.45Å; P163-V165 WeakPolarHBondContact O-CG2 3.46Å; P163-V165 PolarHBondContact O-N 2.68Å; V165-V221 WeakPolarHBondContact CA-O 3.38Å; V165-T222 HydrophobicContact CG2-CG2 4.03Å |
| 166 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 149 | 173.4 | 72.5 | 0 | 0 | 0 | 0 | 110.9 | L52 M88 M91 A92 V221 P362 | L52-V166 HydrophobicContact CD1-CG2 4.44Å; M88-V166 HydrophobicContact CB-CG2 4.43Å; M88-V166 HydrophobicContact CE-CB 4.05Å; M88-V166 HydrophobicContact CE-CG2 3.96Å; M91-V166 HydrophobicContact CB-CG1 3.56Å; M91-V166 HydrophobicContact CE-CG1 4.19Å; A92-V166 HydrophobicContact CB-CG1 4.24Å; A92-V166 HydrophobicContact CB-CG2 4.27Å; V166-V221 HydrophobicContact CG1-CB 4.16Å; V166-V221 PolarHBondContact N-O 3.17Å; V166-V221 PolarHBondContact O-N 3.16Å; V166-P362 HydrophobicContact CG2-CG 4.19Å |
| 167 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 145.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D361 P362 | G167-D361 WeakPolarHBondContact CA-OD1 3.29Å; G167-D361 PolarHBondContact N-OD1 3.23Å; G167-D361 PolarHBondContact N-OD2 3.19Å; G167-P362 WeakPolarHBondContact O-CG 3.37Å |
| 168 | R | 98.7 | Very high | 98.4 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 139.8 | 172.4 | -173.3 | 173.8 | 173.7 | 155.9 | -1.8 | 111.7 | M91 A92 K94 V170 E175 G219 V221 | M91-R168 PolarHBondContact O-NH1 2.78Å; A92-R168 VanDerWaalsContact O-CD 3.29Å; A92-R168 WeakPolarHBondContact O-CD 3.35Å; A92-R168 WeakPolarHBondContact O-CG 3.47Å; A92-R168 PolarHBondContact O-NE 3.01Å; K94-R168 PolarHBondContact O-NH1 3.3Å; K94-R168 PolarHBondContact O-NH2 2.91Å; R168-V170 HydrophobicContact CB-CG2 4.48Å; R168-V170 HydrophobicContact CG-CG2 3.79Å; R168-E175 IonicContact NH2-OE2 3.1Å; R168-E175 PolarHBondContact NH2-OE2 3.33Å; R168-G219 PolarHBondContact N-O 3.04Å; R168-G219 PolarHBondContact O-N 2.98Å; R168-V221 HydrophobicContact CB-CG2 3.65Å; R168-V221 HydrophobicContact CG-CG2 4.4Å |
| 169 | F | 98.8 | Very high | 98.5 | Very high | 102 Ų | 102 | 34.5 Ų | 34.5 | 45% | 0.447 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.3 | 162.9 | -66 | -86.9 | 0 | 0 | 0 | 109 | T216 M217 E218 P362 I363 | F169-T216 HydrophobicContact CB-CG2 3.96Å; F169-T216 HydrophobicContact CD1-CG2 4.06Å; F169-T216 HydrophobicContact CG-CG2 4.45Å; F169-M217 CarbonylContact C-O 3.59Å; F169-M217 WeakPolarHBondContact CA-O 3.47Å; F169-E218 HydrophobicContact CD1-CB 3.9Å; F169-E218 HydrophobicContact CD1-CG 4.14Å; F169-E218 HydrophobicContact CE1-CB 3.69Å; F169-E218 HydrophobicContact CE1-CG 3.65Å; F169-E218 HydrophobicContact CZ-CG 3.98Å; F169-P362 WeakPolarHBondContact CE2-O 3.39Å; F169-I363 HydrophobicContact CD2-CG2 4.33Å; F169-I363 HydrophobicContact CE2-CG2 3.87Å; F169-I363 HydrophobicContact CZ-CG2 4.16Å |
| 170 | V | 98.5 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126.8 | -177.1 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | I96 F122 R168 L172 E175 I176 M217 | I96-V170 HydrophobicContact CD1-CG1 3.75Å; I96-V170 HydrophobicContact CD1-CG2 4.25Å; F122-V170 HydrophobicContact CD2-CG2 4.47Å; F122-V170 HydrophobicContact CE2-CG2 3.87Å; F122-V170 HydrophobicContact CZ-CG2 4.23Å; R168-V170 HydrophobicContact CB-CG2 4.48Å; R168-V170 HydrophobicContact CG-CG2 3.79Å; V170-L172 PolarHBondContact O-N 3.13Å; V170-E175 HydrophobicContact CG1-CB 3.91Å; V170-I176 HydrophobicContact CG1-CD1 3.77Å; V170-I176 HydrophobicContact CG1-CG1 3.58Å; V170-M217 PolarHBondContact N-O 3.44Å; V170-M217 PolarHBondContact O-N 3.49Å |
| 171 | N | 98.7 | Very high | 98.5 | Very high | 37 Ų | 37 | 33.6 Ų | 33.6 | 20% | 0.198 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 110.2 | 170.7 | -171.9 | -59.1 | 0 | 0 | 0 | 110.2 | R173 T174 E175 D215 | N171-R173 VanDerWaalsContact C-N 3.25Å; N171-R173 PolarHBondContact O-N 3.29Å; N171-R173 WeakPolarHBondContact OD1-CA 3.21Å; N171-R173 WeakPolarHBondContact OD1-CB 3.38Å; N171-R173 PolarHBondContact OD1-N 3.28Å; N171-T174 VanDerWaalsContact CB-OG1 3.29Å; N171-T174 WeakPolarHBondContact CB-OG1 3.49Å; N171-T174 PolarHBondContact O-N 2.95Å; N171-T174 PolarHBondContact OD1-N 3.39Å; N171-T174 PolarHBondContact OD1-OG1 3.23Å; N171-E175 HydrophobicContact CB-CG 4.4Å; N171-E175 PolarHBondContact N-OE1 3.43Å; N171-E175 WeakPolarHBondContact O-CA 3.41Å; N171-E175 VanDerWaalsContact O-CB 3.29Å; N171-E175 WeakPolarHBondContact O-CB 3.29Å; N171-E175 PolarHBondContact O-N 3.34Å; N171-D215 CarbonylContact C-O 3.53Å; N171-D215 WeakPolarHBondContact CA-O 3.43Å |
| 172 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -64.1 | -30.9 | -175.9 | -63.1 | -175.2 | 0 | 0 | 0 | 113 | V170 I176 K177 F188 T195 F197 A212 D215 M217 | V170-L172 PolarHBondContact O-N 3.13Å; L172-I176 HydrophobicContact CD2-CB 4.33Å; L172-I176 HydrophobicContact CD2-CG1 3.83Å; L172-K177 WeakPolarHBondContact O-CG 3.5Å; L172-K177 PolarHBondContact O-N 2.73Å; L172-F188 HydrophobicContact CB-CE1 4.13Å; L172-F188 HydrophobicContact CD1-CE1 4.18Å; L172-T195 HydrophobicContact CB-CG2 3.8Å; L172-T195 HydrophobicContact CD1-CG2 3.88Å; L172-T195 WeakPolarHBondContact CD1-O 3.21Å; L172-F197 HydrophobicContact CD1-CD1 4.26Å; L172-F197 HydrophobicContact CD2-CE1 4.33Å; L172-A212 HydrophobicContact CD1-CB 3.88Å; L172-A212 HydrophobicContact CG-CB 4.4Å; L172-D215 PolarHBondContact N-O 2.91Å; L172-M217 HydrophobicContact CD1-CB 4.13Å; L172-M217 HydrophobicContact CD1-CE 3.75Å; L172-M217 HydrophobicContact CD1-SD 4.12Å; L172-M217 HydrophobicContact CD2-CB 3.96Å; L172-M217 HydrophobicContact CD2-SD 4.07Å; L172-M217 HydrophobicContact CG-CB 3.92Å |
| 173 | R | 98.3 | Very high | 98.4 | Very high | 133 Ų | 133 | 45.2 Ų | 45.2 | 50% | 0.502 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -76.6 | -41.2 | -179 | -176.6 | -177.1 | -61.2 | -93.3 | -6.4 | 112.1 | N171 P178 D215 | N171-R173 VanDerWaalsContact C-N 3.25Å; N171-R173 PolarHBondContact O-N 3.29Å; N171-R173 WeakPolarHBondContact OD1-CA 3.21Å; N171-R173 WeakPolarHBondContact OD1-CB 3.38Å; N171-R173 PolarHBondContact OD1-N 3.28Å; R173-P178 VanDerWaalsContact O-CD 3.31Å; R173-P178 WeakPolarHBondContact O-CD 3.49Å; R173-P178 WeakPolarHBondContact O-CG 3.22Å; R173-D215 HydrophobicContact CB-CB 4.24Å; R173-D215 IonicContact CZ-OD1 3.86Å; R173-D215 IonicContact CZ-OD2 3.65Å; R173-D215 IonicContact NE-OD1 3.47Å; R173-D215 PolarHBondContact NE-OD1 2.89Å; R173-D215 IonicContact NE-OD2 2.81Å; R173-D215 PolarHBondContact NE-OD2 3.43Å; R173-D215 IonicContact NH2-OD1 3.34Å; R173-D215 PolarHBondContact NH2-OD1 3.05Å; R173-D215 IonicContact NH2-OD2 3.6Å |
| 174 | T | 98.6 | Very high | 98.3 | Very high | 93 Ų | 93 | 45 Ų | 45 | 57% | 0.571 | 23% | 0.226 | S | C | * | . | I | π-helix | trans | -101.8 | -26.2 | -172.5 | 62.5 | 0 | 0 | 0 | 0 | 114 | N171 | N171-T174 VanDerWaalsContact CB-OG1 3.29Å; N171-T174 WeakPolarHBondContact CB-OG1 3.49Å; N171-T174 PolarHBondContact O-N 2.95Å; N171-T174 PolarHBondContact OD1-N 3.39Å; N171-T174 PolarHBondContact OD1-OG1 3.23Å |
| 175 | E | 98.8 | Very high | 98.3 | Very high | 58 Ų | 58 | 48 Ų | 48 | 27% | 0.271 | 24% | 0.242 | S | C | . | . | I | π-helix | trans | -105.7 | -28.5 | -178 | -63.3 | 179.9 | -98.5 | 0 | 0 | 114 | I96 R168 V170 N171 V179 | I96-E175 HydrophobicContact CD1-CB 4.33Å; R168-E175 IonicContact NH2-OE2 3.1Å; R168-E175 PolarHBondContact NH2-OE2 3.33Å; V170-E175 HydrophobicContact CG1-CB 3.91Å; N171-E175 HydrophobicContact CB-CG 4.4Å; N171-E175 PolarHBondContact N-OE1 3.43Å; N171-E175 WeakPolarHBondContact O-CA 3.41Å; N171-E175 VanDerWaalsContact O-CB 3.29Å; N171-E175 WeakPolarHBondContact O-CB 3.29Å; N171-E175 PolarHBondContact O-N 3.34Å; E175-V179 VanDerWaalsContact O-CG2 3.24Å; E175-V179 WeakPolarHBondContact O-CG2 3.36Å |
| 176 | I | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.036 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -102 | -62.9 | -177.3 | -60 | -60.6 | 0 | 0 | 0 | 112.4 | I96 A99 L112 V170 L172 P178 V179 A180 L184 F188 | I96-I176 HydrophobicContact CD1-CD1 3.77Å; I96-I176 HydrophobicContact CG2-CD1 4.28Å; A99-I176 HydrophobicContact CB-CD1 4.22Å; A99-I176 HydrophobicContact CB-CG2 3.95Å; L112-I176 HydrophobicContact CD1-CD1 4.35Å; L112-I176 HydrophobicContact CD2-CD1 3.7Å; V170-I176 HydrophobicContact CG1-CD1 3.77Å; V170-I176 HydrophobicContact CG1-CG1 3.58Å; L172-I176 HydrophobicContact CD2-CB 4.33Å; L172-I176 HydrophobicContact CD2-CG1 3.83Å; I176-P178 VanDerWaalsContact C-N 3.32Å; I176-P178 VanDerWaalsContact O-N 3.17Å; I176-V179 CarbonylContact O-C 3.58Å; I176-V179 WeakPolarHBondContact O-CG2 3.43Å; I176-V179 PolarHBondContact O-N 2.92Å; I176-A180 HydrophobicContact CG2-CB 4.43Å; I176-A180 WeakPolarHBondContact O-CB 3.48Å; I176-A180 PolarHBondContact O-N 2.8Å; I176-L184 HydrophobicContact CG2-CD2 4.08Å; I176-F188 HydrophobicContact CG2-CE2 4.29Å; I176-F188 HydrophobicContact CG2-CZ 3.8Å |
| 177 | K | 98.5 | Very high | 98.2 | Very high | 57 Ų | 57 | 51.2 Ų | 51.2 | 25% | 0.248 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -50.7 | -41.8 | -174.4 | -77.2 | -179.2 | 176.6 | 178.5 | 0 | 114 | L172 V179 A180 L185 F188 | L172-K177 WeakPolarHBondContact O-CG 3.5Å; L172-K177 PolarHBondContact O-N 2.73Å; K177-V179 PolarHBondContact O-N 2.89Å; K177-A180 PolarHBondContact O-N 2.8Å; K177-L185 HydrophobicContact CB-CD2 4.13Å; K177-L185 HydrophobicContact CG-CD2 4.08Å; K177-F188 HydrophobicContact CD-CD1 4.37Å; K177-F188 HydrophobicContact CD-CE1 4.48Å; K177-F188 HydrophobicContact CG-CD1 4.31Å; K177-F188 HydrophobicContact CG-CD2 4.41Å; K177-F188 HydrophobicContact CG-CE1 4.06Å; K177-F188 HydrophobicContact CG-CE2 4.15Å; K177-F188 HydrophobicContact CG-CG 4.45Å; K177-F188 HydrophobicContact CG-CZ 3.97Å |
| 178 | P | 98.6 | Very high | 98.2 | Very high | 93 Ų | 93 | 52.7 Ų | 52.7 | 60% | 0.604 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -68.1 | -18.6 | -178 | -23.1 | 36.7 | 0 | 0 | 0 | 114.8 | R173 I176 | R173-P178 VanDerWaalsContact O-CD 3.31Å; R173-P178 WeakPolarHBondContact O-CD 3.49Å; R173-P178 WeakPolarHBondContact O-CG 3.22Å; I176-P178 VanDerWaalsContact C-N 3.32Å; I176-P178 VanDerWaalsContact O-N 3.17Å |
| 179 | V | 98.7 | Very high | 98.1 | Very high | 41 Ų | 41 | 54.1 Ų | 54.1 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -120.4 | 8.7 | -176.9 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | I96 K98 A99 E175 I176 K177 | I96-V179 HydrophobicContact CG2-CG2 4.04Å; K98-V179 CarbonylContact C-O 3.53Å; K98-V179 WeakPolarHBondContact CA-O 3.44Å; A99-V179 HydrophobicContact CB-CG2 4.3Å; A99-V179 PolarHBondContact N-O 2.71Å; E175-V179 VanDerWaalsContact O-CG2 3.24Å; E175-V179 WeakPolarHBondContact O-CG2 3.36Å; I176-V179 CarbonylContact O-C 3.58Å; I176-V179 WeakPolarHBondContact O-CG2 3.43Å; I176-V179 PolarHBondContact O-N 2.92Å; K177-V179 PolarHBondContact O-N 2.89Å |
| 180 | A | 98.5 | Very high | 98.1 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 13% | 0.132 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 145 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A99 I176 K177 L184 L185 | A99-A180 HydrophobicContact CB-CB 4.3Å; A99-A180 CarbonylContact O-C 3.55Å; A99-A180 VanDerWaalsContact O-CA 3.25Å; A99-A180 WeakPolarHBondContact O-CA 3.34Å; I176-A180 HydrophobicContact CG2-CB 4.43Å; I176-A180 WeakPolarHBondContact O-CB 3.48Å; I176-A180 PolarHBondContact O-N 2.8Å; K177-A180 PolarHBondContact O-N 2.8Å; A180-L184 HydrophobicContact CB-CB 4.35Å; A180-L184 HydrophobicContact CB-CD2 3.95Å; A180-L184 HydrophobicContact CB-CG 4.29Å; A180-L185 HydrophobicContact CB-CD1 4.48Å; A180-L185 HydrophobicContact CB-CD2 3.92Å; A180-L185 HydrophobicContact CB-CG 3.76Å |
| 181 | T | 98.1 | Very high | 98.1 | Very high | 32 Ų | 32 | 57.1 Ų | 57.1 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | trans | -64.7 | 156.5 | 167.8 | 63 | 0 | 0 | 0 | 0 | 111 | A99 D100 Q183 L184 L185 | A99-T181 PolarHBondContact O-N 3.48Å; D100-T181 HydrophobicContact CB-CG2 3.84Å; D100-T181 WeakPolarHBondContact OD1-CG2 3.31Å; D100-T181 PolarHBondContact OD1-OG1 3.36Å; T181-Q183 PolarHBondContact O-N 2.88Å; T181-L184 PolarHBondContact O-N 3.11Å; T181-L184 VanDerWaalsContact O-N 3.11Å; T181-L184 PolarHBondContact OG1-N 3.45Å; T181-L185 WeakPolarHBondContact O-CB 3.23Å; T181-L185 WeakPolarHBondContact O-CG 3.12Å; T181-L185 PolarHBondContact O-N 3.36Å | ||
| 182 | E | 97.3 | Very high | 98 | Very high | 171 Ų | 171 | 58.6 Ų | 58.6 | 80% | 0.799 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -54.7 | -35.4 | 171.9 | -67.4 | -175.4 | 170 | 0 | 0 | 111.8 | L184 L185 S186 | E182-L184 PolarHBondContact O-N 2.91Å; E182-L185 PolarHBondContact O-N 3.23Å; E182-S186 WeakPolarHBondContact O-CB 3.25Å; E182-S186 PolarHBondContact O-N 3.16Å; E182-S186 PolarHBondContact O-OG 3.09Å |
| 183 | Q | 95.3 | Very high | 97.8 | Very high | 89 Ų | 89 | 66 Ų | 66 | 42% | 0.416 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.4 | -46 | 177.7 | -176.4 | 169.9 | 7.1 | 0 | 0 | 112 | V101 T181 S186 K200 | V101-Q183 HydrophobicContact CG1-CG 4.25Å; V101-Q183 HydrophobicContact CG2-CG 3.73Å; T181-Q183 PolarHBondContact O-N 2.88Å; Q183-S186 PolarHBondContact O-OG 3.12Å; Q183-K200 HydrophobicContact CG-CD 3.66Å |
| 184 | L | 97.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -72.5 | -43.6 | 176.1 | 178.7 | 60 | 0 | 0 | 0 | 111.3 | A99 V101 I176 A180 T181 E182 S186 T187 F188 F197 | A99-L184 HydrophobicContact CB-CD2 3.83Å; V101-L184 HydrophobicContact CG1-CB 4.05Å; V101-L184 HydrophobicContact CG1-CD1 3.9Å; I176-L184 HydrophobicContact CG2-CD2 4.08Å; A180-L184 HydrophobicContact CB-CB 4.35Å; A180-L184 HydrophobicContact CB-CD2 3.95Å; A180-L184 HydrophobicContact CB-CG 4.29Å; T181-L184 PolarHBondContact O-N 3.11Å; T181-L184 VanDerWaalsContact O-N 3.11Å; T181-L184 PolarHBondContact OG1-N 3.45Å; E182-L184 PolarHBondContact O-N 2.91Å; L184-S186 VanDerWaalsContact C-N 3.27Å; L184-S186 PolarHBondContact O-N 2.93Å; L184-T187 PolarHBondContact O-N 3.34Å; L184-T187 PolarHBondContact O-OG1 2.99Å; L184-F188 HydrophobicContact CD1-CE2 4.41Å; L184-F188 HydrophobicContact CG-CE2 4.03Å; L184-F188 WeakPolarHBondContact O-CD2 3.45Å; L184-F197 HydrophobicContact CD1-CD2 4.04Å; L184-F197 HydrophobicContact CD1-CE2 4.4Å |
| 185 | L | 98.2 | Very high | 97.9 | Very high | 69 Ų | 69 | 57.9 Ų | 57.9 | 36% | 0.361 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -55.5 | -41 | 178.9 | -76.6 | 172.4 | 0 | 0 | 0 | 112.6 | K177 A180 T181 E182 T187 F188 | K177-L185 HydrophobicContact CB-CD2 4.13Å; K177-L185 HydrophobicContact CG-CD2 4.08Å; A180-L185 HydrophobicContact CB-CD1 4.48Å; A180-L185 HydrophobicContact CB-CD2 3.92Å; A180-L185 HydrophobicContact CB-CG 3.76Å; T181-L185 WeakPolarHBondContact O-CB 3.23Å; T181-L185 WeakPolarHBondContact O-CG 3.12Å; T181-L185 PolarHBondContact O-N 3.36Å; E182-L185 PolarHBondContact O-N 3.23Å; L185-T187 PolarHBondContact O-N 3.25Å; L185-F188 PolarHBondContact O-N 2.92Å; L185-F188 VanDerWaalsContact O-N 3.12Å |
| 186 | S | 97.4 | Very high | 97.9 | Very high | 69 Ų | 69 | 55.1 Ų | 55.1 | 48% | 0.483 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -11.3 | 178.1 | 69.4 | 0 | 0 | 0 | 0 | 114.7 | E182 Q183 L184 | E182-S186 WeakPolarHBondContact O-CB 3.25Å; E182-S186 PolarHBondContact O-N 3.16Å; E182-S186 PolarHBondContact O-OG 3.09Å; Q183-S186 PolarHBondContact O-OG 3.12Å; L184-S186 VanDerWaalsContact C-N 3.27Å; L184-S186 PolarHBondContact O-N 2.93Å |
| 187 | T | 97.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -1.6 | -179.3 | 74 | 0 | 0 | 0 | 0 | 113.6 | L184 L185 L189 F197 Y198 G199 K200 | L184-T187 PolarHBondContact O-N 3.34Å; L184-T187 PolarHBondContact O-OG1 2.99Å; L185-T187 PolarHBondContact O-N 3.25Å; T187-L189 WeakPolarHBondContact O-CD2 3.37Å; T187-F197 VanDerWaalsContact O-CA 3.32Å; T187-F197 WeakPolarHBondContact O-CA 3.44Å; T187-Y198 VanDerWaalsContact CA-CE1 3.48Å; T187-Y198 HydrophobicContact CG2-CD2 4.36Å; T187-Y198 HydrophobicContact CG2-CE1 4.48Å; T187-Y198 HydrophobicContact CG2-CE2 3.81Å; T187-Y198 WeakPolarHBondContact O-CD1 3.44Å; T187-Y198 VanDerWaalsContact O-CE1 3.29Å; T187-Y198 WeakPolarHBondContact O-CE1 3.33Å; T187-Y198 PolarHBondContact O-N 3.34Å; T187-G199 WeakPolarHBondContact CG2-O 3.46Å; T187-G199 PolarHBondContact OG1-N 3.44Å; T187-K200 HydrophobicContact CG2-CG 4Å |
| 188 | F | 98.5 | Very high | 97.7 | Very high | 31 Ų | 31 | 54.5 Ų | 54.5 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 140.2 | 176.7 | -84.5 | -91.4 | 0 | 0 | 0 | 111.3 | L172 I176 K177 L184 L185 T195 C196 F197 | L172-F188 HydrophobicContact CB-CE1 4.13Å; L172-F188 HydrophobicContact CD1-CE1 4.18Å; I176-F188 HydrophobicContact CG2-CE2 4.29Å; I176-F188 HydrophobicContact CG2-CZ 3.8Å; K177-F188 HydrophobicContact CD-CD1 4.37Å; K177-F188 HydrophobicContact CD-CE1 4.48Å; K177-F188 HydrophobicContact CG-CD1 4.31Å; K177-F188 HydrophobicContact CG-CD2 4.41Å; K177-F188 HydrophobicContact CG-CE1 4.06Å; K177-F188 HydrophobicContact CG-CE2 4.15Å; K177-F188 HydrophobicContact CG-CG 4.45Å; K177-F188 HydrophobicContact CG-CZ 3.97Å; L184-F188 HydrophobicContact CD1-CE2 4.41Å; L184-F188 HydrophobicContact CG-CE2 4.03Å; L184-F188 WeakPolarHBondContact O-CD2 3.45Å; L185-F188 PolarHBondContact O-N 2.92Å; L185-F188 VanDerWaalsContact O-N 3.12Å; F188-T195 HydrophobicContact CD1-CG2 3.71Å; F188-T195 HydrophobicContact CE1-CG2 3.82Å; F188-C196 VanDerWaalsContact CA-O 3.3Å; F188-C196 WeakPolarHBondContact CA-O 3.36Å; F188-C196 VanDerWaalsContact CD1-O 3.25Å; F188-C196 WeakPolarHBondContact CD1-O 3.32Å; F188-F197 HydrophobicContact CD1-CB 3.99Å; F188-F197 HydrophobicContact CD2-CB 4.22Å; F188-F197 HydrophobicContact CE1-CB 4.07Å; F188-F197 HydrophobicContact CE1-CD1 4.23Å; F188-F197 HydrophobicContact CE1-CG 4.48Å; F188-F197 HydrophobicContact CE2-CB 4.31Å; F188-F197 HydrophobicContact CG-CB 4.09Å; F188-F197 HydrophobicContact CZ-CB 4.24Å; F188-F197 HydrophobicContact CZ-CD1 4.32Å; F188-F197 HydrophobicContact CZ-CG 4.43Å |
| 189 | L | 98.4 | Very high | 97.6 | Very high | 37 Ų | 37 | 50.1 Ų | 50.1 | 19% | 0.194 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 170.8 | 172.8 | 63.5 | 159.3 | 0 | 0 | 0 | 109.9 | T187 V191 C196 Y198 E206 P209 | T187-L189 WeakPolarHBondContact O-CD2 3.37Å; L189-V191 HydrophobicContact CD1-CG2 3.8Å; L189-V191 HydrophobicContact CG-CG2 4.25Å; L189-C196 HydrophobicContact CD2-CB 4.29Å; L189-C196 HydrophobicContact CG-CB 4.27Å; L189-C196 PolarHBondContact N-O 2.99Å; L189-C196 PolarHBondContact O-N 3.34Å; L189-C196 VanDerWaalsContact O-O 3.1Å; L189-Y198 HydrophobicContact CD2-CD1 3.78Å; L189-Y198 HydrophobicContact CD2-CE1 4.4Å; L189-E206 HydrophobicContact CD1-CG 4.37Å; L189-P209 HydrophobicContact CD1-CG 4.43Å; L189-P209 HydrophobicContact CD2-CB 3.98Å |
| 190 | T | 98.1 | Very high | 97.3 | Very high | 96 Ų | 96 | 53 Ų | 53 | 59% | 0.589 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.3 | 173.4 | -64.6 | 0 | 0 | 0 | 0 | 108.7 | G192 N194 | T190-G192 VanDerWaalsContact CG2-O 3.26Å; T190-G192 WeakPolarHBondContact CG2-O 3.22Å; T190-N194 WeakPolarHBondContact CA-O 3.22Å |
| 191 | V | 97.6 | Very high | 97 | Very high | 69 Ų | 69 | 53.5 Ų | 53.5 | 42% | 0.418 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 110.1 | 174.9 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | L189 N193 N194 C196 P209 | L189-V191 HydrophobicContact CD1-CG2 3.8Å; L189-V191 HydrophobicContact CG-CG2 4.25Å; V191-N193 PolarHBondContact O-N 3.39Å; V191-N194 PolarHBondContact N-O 3.06Å; V191-N194 WeakPolarHBondContact O-CB 3.31Å; V191-N194 PolarHBondContact O-N 2.84Å; V191-C196 HydrophobicContact CG2-CB 4.38Å; V191-P209 HydrophobicContact CG2-CG 4.32Å |
| 192 | G | 96.5 | Very high | 96.7 | Very high | 68 Ų | 68 | 59.3 Ų | 59.3 | 70% | 0.701 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | -121.4 | -169 | 0 | 0 | 0 | 0 | 0 | 110.9 | T190 | T190-G192 VanDerWaalsContact CG2-O 3.26Å; T190-G192 WeakPolarHBondContact CG2-O 3.22Å |
| 193 | N | 96.3 | Very high | 96.3 | Very high | 156 Ų | 156 | 57 Ų | 57 | 83% | 0.834 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 6 | 176.5 | -67.7 | -17.8 | 0 | 0 | 0 | 113.4 | V191 | V191-N193 PolarHBondContact O-N 3.39Š|
| 194 | N | 98.5 | Very high | 96.3 | Very high | 52 Ų | 52 | 53.6 Ų | 53.6 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 136.6 | -171.9 | -64.1 | -25.3 | 0 | 0 | 0 | 111.7 | T190 V191 C211 A212 G214 | T190-N194 WeakPolarHBondContact CA-O 3.22Å; V191-N194 PolarHBondContact N-O 3.06Å; V191-N194 WeakPolarHBondContact O-CB 3.31Å; V191-N194 PolarHBondContact O-N 2.84Å; N194-C211 HydrophobicContact CB-CB 4.3Å; N194-A212 VanDerWaalsContact CB-O 3.27Å; N194-A212 WeakPolarHBondContact CB-O 3.44Å; N194-A212 PolarHBondContact ND2-O 2.98Å; N194-A212 PolarHBondContact OD1-O 3.41Å; N194-G214 CarbonylContact C-O 3.3Å; N194-G214 WeakPolarHBondContact CA-O 3.42Å; N194-G214 WeakPolarHBondContact OD1-CA 3.46Å; N194-G214 PolarHBondContact OD1-N 3.43Å |
| 195 | T | 98.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 125.1 | 166.2 | -69.2 | 0 | 0 | 0 | 0 | 109 | L172 F188 A212 G214 D215 | L172-T195 HydrophobicContact CB-CG2 3.8Å; L172-T195 HydrophobicContact CD1-CG2 3.88Å; L172-T195 WeakPolarHBondContact CD1-O 3.21Å; F188-T195 HydrophobicContact CD1-CG2 3.71Å; F188-T195 HydrophobicContact CE1-CG2 3.82Å; T195-A212 WeakPolarHBondContact O-CB 3.46Å; T195-A212 PolarHBondContact O-N 3.12Å; T195-G214 PolarHBondContact N-O 2.76Å; T195-D215 WeakPolarHBondContact CB-OD1 3.47Å; T195-D215 PolarHBondContact OG1-OD1 3.32Å |
| 196 | C | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 160.4 | -178 | -45.2 | 0 | 0 | 0 | 0 | 111.2 | F188 L189 V191 P209 A210 C211 | F188-C196 VanDerWaalsContact CA-O 3.3Å; F188-C196 WeakPolarHBondContact CA-O 3.36Å; F188-C196 VanDerWaalsContact CD1-O 3.25Å; F188-C196 WeakPolarHBondContact CD1-O 3.32Å; L189-C196 HydrophobicContact CD2-CB 4.29Å; L189-C196 HydrophobicContact CG-CB 4.27Å; L189-C196 PolarHBondContact N-O 2.99Å; L189-C196 PolarHBondContact O-N 3.34Å; L189-C196 VanDerWaalsContact O-O 3.1Å; V191-C196 HydrophobicContact CG2-CB 4.38Å; C196-P209 HydrophobicContact CB-CB 3.96Å; C196-P209 HydrophobicContact CB-CG 4.27Å; C196-A210 CarbonylContact C-O 3.55Å; C196-A210 WeakPolarHBondContact CA-O 3.4Å; C196-A210 VanDerWaalsContact CB-O 3.3Å; C196-A210 WeakPolarHBondContact CB-O 3.14Å; C196-C211 HydrophobicContact CB-CB 3.98Å; C196-C211 WeakPolarHBondContact CB-SG 3.47Å; C196-C211 WeakPolarHBondContact SG-CA 3.46Å; C196-C211 WeakPolarHBondContact SG-CB 3.42Å; C196-C211 CovalentContact SG-SG 2.04Å; C196-C211 PolarHBondContact SG-SG 2.93Å |
| 197 | F | 98.3 | Very high | 96.1 | Very high | 5 Ų | 5 | 64.7 Ų | 64.7 | 2% | 0.022 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 147.3 | 166.1 | 71.4 | -81 | 0 | 0 | 0 | 110.9 | L108 P124 L172 L184 T187 F188 A210 M217 | L108-F197 HydrophobicContact CD1-CD2 4.06Å; L108-F197 HydrophobicContact CD1-CE2 3.67Å; L108-F197 HydrophobicContact CD2-CE2 4.3Å; L108-F197 HydrophobicContact CG-CE2 4.2Å; P124-F197 HydrophobicContact CB-CZ 4.38Å; P124-F197 HydrophobicContact CG-CZ 4.16Å; L172-F197 HydrophobicContact CD1-CD1 4.26Å; L172-F197 HydrophobicContact CD2-CE1 4.33Å; L184-F197 HydrophobicContact CD1-CD2 4.04Å; L184-F197 HydrophobicContact CD1-CE2 4.4Å; T187-F197 VanDerWaalsContact O-CA 3.32Å; T187-F197 WeakPolarHBondContact O-CA 3.44Å; F188-F197 HydrophobicContact CD1-CB 3.99Å; F188-F197 HydrophobicContact CD2-CB 4.22Å; F188-F197 HydrophobicContact CE1-CB 4.07Å; F188-F197 HydrophobicContact CE1-CD1 4.23Å; F188-F197 HydrophobicContact CE1-CG 4.48Å; F188-F197 HydrophobicContact CE2-CB 4.31Å; F188-F197 HydrophobicContact CG-CB 4.09Å; F188-F197 HydrophobicContact CZ-CB 4.24Å; F188-F197 HydrophobicContact CZ-CD1 4.32Å; F188-F197 HydrophobicContact CZ-CG 4.43Å; F197-A210 PolarHBondContact N-O 3.19Å; F197-A210 PolarHBondContact O-N 2.9Å; F197-M217 HydrophobicContact CD1-CE 4.28Å; F197-M217 HydrophobicContact CD1-SD 4.43Å; F197-M217 HydrophobicContact CE1-CE 3.94Å; F197-M217 HydrophobicContact CE1-SD 3.56Å; F197-M217 VanDerWaalsContact CE1-SD 3.56Å; F197-M217 HydrophobicContact CZ-SD 4.35Å |
| 198 | Y | 96.8 | Very high | 96 | Very high | 47 Ų | 47 | 68.6 Ų | 68.6 | 18% | 0.184 | 35% | 0.352 | C | S | . | . | trans | -104.5 | -9.8 | 176.3 | 63.9 | -93.3 | 0 | 0 | 0 | 113.5 | L108 T187 L189 C204 R205 E206 | L108-Y198 WeakPolarHBondContact CD1-O 3.46Å; T187-Y198 VanDerWaalsContact CA-CE1 3.48Å; T187-Y198 HydrophobicContact CG2-CD2 4.36Å; T187-Y198 HydrophobicContact CG2-CE1 4.48Å; T187-Y198 HydrophobicContact CG2-CE2 3.81Å; T187-Y198 WeakPolarHBondContact O-CD1 3.44Å; T187-Y198 VanDerWaalsContact O-CE1 3.29Å; T187-Y198 WeakPolarHBondContact O-CE1 3.33Å; T187-Y198 PolarHBondContact O-N 3.34Å; L189-Y198 HydrophobicContact CD2-CD1 3.78Å; L189-Y198 HydrophobicContact CD2-CE1 4.4Å; Y198-C204 WeakPolarHBondContact O-CB 3.21Å; Y198-C204 PolarHBondContact O-SG 3.33Å; Y198-R205 WeakPolarHBondContact CB-O 3.04Å; Y198-E206 HydrophobicContact CD1-CB 4.06Å; Y198-E206 HydrophobicContact CD1-CG 4.15Å; Y198-E206 HydrophobicContact CE1-CB 4.01Å; Y198-E206 HydrophobicContact CE1-CG 3.99Å | ||
| 199 | G | 94.9 | Very high | 96 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | trans | 60.9 | -163.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | T187 | T187-G199 WeakPolarHBondContact CG2-O 3.46Å; T187-G199 PolarHBondContact OG1-N 3.44Å | ||
| 200 | K | 92.6 | Very high | 95.9 | Very high | 101 Ų | 101 | 66.8 Ų | 66.8 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -133.5 | 110.8 | 176.5 | -68.5 | -173 | -177.8 | -178.7 | 0 | 110.4 | V101 Q183 T187 | V101-K200 HydrophobicContact CB-CB 4.38Å; V101-K200 HydrophobicContact CG1-CB 4.16Å; V101-K200 HydrophobicContact CG1-CG 4.36Å; V101-K200 HydrophobicContact CG2-CB 4.38Å; Q183-K200 HydrophobicContact CG-CD 3.66Å; T187-K200 HydrophobicContact CG2-CG 4Å |
| 201 | C | 92.9 | Very high | 96 | Very high | 27 Ų | 27 | 64.5 Ų | 64.5 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -158.5 | 173.1 | 178.9 | 73.8 | 0 | 0 | 0 | 0 | 109.6 | T106 Y203 C204 | T106-C201 PolarHBondContact O-SG 3.01Å; C201-Y203 VanDerWaalsContact C-N 3.34Å; C201-Y203 PolarHBondContact O-N 2.94Å; C201-C204 HydrophobicContact CB-CB 4.07Å; C201-C204 WeakPolarHBondContact CB-SG 3.1Å; C201-C204 PolarHBondContact N-SG 3.33Å; C201-C204 VanDerWaalsContact N-SG 3.37Å; C201-C204 PolarHBondContact O-N 3.09Å; C201-C204 VanDerWaalsContact SG-CA 3.58Å; C201-C204 WeakPolarHBondContact SG-CB 3.1Å; C201-C204 PolarHBondContact SG-N 3.29Å; C201-C204 CovalentContact SG-SG 2.04Å; C201-C204 PolarHBondContact SG-SG 3.43Å |
| 202 | Y | 90.6 | Very high | 96 | Very high | 154 Ų | 154 | 61.5 Ų | 61.5 | 60% | 0.604 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -42.8 | -175.9 | -174.8 | -103.2 | 0 | 0 | 0 | 113.4 | G105 R205 | G105-Y202 PolarHBondContact O-N 2.69Å; G105-Y202 VanDerWaalsContact O-N 3.16Å; Y202-R205 PolarHBondContact O-NH1 2.87Å; Y202-R205 PolarHBondContact O-NH2 2.86Å; Y202-R205 VanDerWaalsContact O-NH2 3.11Å |
| 203 | Y | 90.6 | Very high | 96.1 | Very high | 121 Ų | 121 | 64.9 Ų | 64.9 | 48% | 0.475 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 3.7 | 178.8 | -59.8 | -58 | 0 | 0 | 0 | 114.2 | T106 C201 R205 | T106-Y203 HydrophobicContact CG2-CD2 4.48Å; T106-Y203 HydrophobicContact CG2-CE2 4.04Å; T106-Y203 WeakPolarHBondContact O-CB 3.26Å; T106-Y203 WeakPolarHBondContact O-CD2 2.79Å; T106-Y203 PolarHBondContact O-N 2.96Å; T106-Y203 VanDerWaalsContact O-N 3.14Å; C201-Y203 VanDerWaalsContact C-N 3.34Å; C201-Y203 PolarHBondContact O-N 2.94Å; Y203-R205 PolarHBondContact O-N 2.8Å |
| 204 | C | 94.2 | Very high | 96.2 | Very high | 18 Ų | 18 | 58.6 Ų | 58.6 | 12% | 0.122 | 29% | 0.29 | C | S | . | . | trans | -73.4 | 127.1 | -178.5 | -73 | 0 | 0 | 0 | 0 | 110.4 | Y198 C201 | Y198-C204 WeakPolarHBondContact O-CB 3.21Å; Y198-C204 PolarHBondContact O-SG 3.33Å; C201-C204 HydrophobicContact CB-CB 4.07Å; C201-C204 WeakPolarHBondContact CB-SG 3.1Å; C201-C204 PolarHBondContact N-SG 3.33Å; C201-C204 VanDerWaalsContact N-SG 3.37Å; C201-C204 PolarHBondContact O-N 3.09Å; C201-C204 VanDerWaalsContact SG-CA 3.58Å; C201-C204 WeakPolarHBondContact SG-CB 3.1Å; C201-C204 PolarHBondContact SG-N 3.29Å; C201-C204 CovalentContact SG-SG 2.04Å; C201-C204 PolarHBondContact SG-SG 3.43Å | ||
| 205 | R | 95.3 | Very high | 96.2 | Very high | 122 Ų | 122 | 58 Ų | 58 | 46% | 0.46 | 29% | 0.287 | S | S | . | . | trans | -138.5 | 146.3 | -179.8 | -58 | -65.4 | 178.8 | -92.7 | -4.6 | 109.7 | Y198 Y202 Y203 T207 E208 | Y198-R205 WeakPolarHBondContact CB-O 3.04Å; Y202-R205 PolarHBondContact O-NH1 2.87Å; Y202-R205 PolarHBondContact O-NH2 2.86Å; Y202-R205 VanDerWaalsContact O-NH2 3.11Å; Y203-R205 PolarHBondContact O-N 2.8Å; R205-T207 PolarHBondContact O-N 2.86Å; R205-E208 CarbonylContact O-C 3.51Å; R205-E208 PolarHBondContact O-N 2.74Å | ||
| 206 | E | 96.3 | Very high | 96.2 | Very high | 128 Ų | 128 | 61 Ų | 61 | 60% | 0.598 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -28.8 | 176.6 | -172.5 | 177.4 | 159.7 | 0 | 0 | 112.7 | L189 Y198 E208 P209 | L189-E206 HydrophobicContact CD1-CG 4.37Å; Y198-E206 HydrophobicContact CD1-CB 4.06Å; Y198-E206 HydrophobicContact CD1-CG 4.15Å; Y198-E206 HydrophobicContact CE1-CB 4.01Å; Y198-E206 HydrophobicContact CE1-CG 3.99Å; E206-E208 VanDerWaalsContact C-N 3.26Å; E206-E208 PolarHBondContact O-N 3.37Å; E206-P209 WeakPolarHBondContact O-CD 3.41Å |
| 207 | T | 96.8 | Very high | 96.2 | Very high | 123 Ų | 123 | 61 Ų | 61 | 76% | 0.755 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -12.8 | 176.2 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | R205 | R205-T207 PolarHBondContact O-N 2.86Š|
| 208 | E | 96.1 | Very high | 96.2 | Very high | 83 Ų | 83 | 61.9 Ų | 61.9 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -128.3 | 51.9 | -174.4 | -64.2 | -179.6 | 124.2 | 0 | 0 | 112.2 | R126 Y141 R205 E206 | R126-E208 PolarHBondContact NH2-O 2.85Å; Y141-E208 WeakPolarHBondContact OH-CB 3.47Å; Y141-E208 VanDerWaalsContact OH-CD 3.26Å; Y141-E208 WeakPolarHBondContact OH-CG 3.27Å; Y141-E208 PolarHBondContact OH-OE1 2.89Å; R205-E208 CarbonylContact O-C 3.51Å; R205-E208 PolarHBondContact O-N 2.74Å; E206-E208 VanDerWaalsContact C-N 3.26Å; E206-E208 PolarHBondContact O-N 3.37Å |
| 209 | P | 97.4 | Very high | 96.3 | Very high | 27 Ų | 27 | 59.6 Ų | 59.6 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | trans | -73.9 | 162.9 | -176.2 | 35.3 | -36.9 | 0 | 0 | 0 | 112.1 | L189 V191 C196 E206 | L189-P209 HydrophobicContact CD1-CG 4.43Å; L189-P209 HydrophobicContact CD2-CB 3.98Å; V191-P209 HydrophobicContact CG2-CG 4.32Å; C196-P209 HydrophobicContact CB-CB 3.96Å; C196-P209 HydrophobicContact CB-CG 4.27Å; E206-P209 WeakPolarHBondContact O-CD 3.41Å | ||
| 210 | A | 98.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 129.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | L108 P124 C196 F197 M217 | L108-A210 HydrophobicContact CD2-CB 3.61Å; P124-A210 HydrophobicContact CB-CB 3.83Å; P124-A210 HydrophobicContact CG-CB 3.67Å; C196-A210 CarbonylContact C-O 3.55Å; C196-A210 WeakPolarHBondContact CA-O 3.4Å; C196-A210 VanDerWaalsContact CB-O 3.3Å; C196-A210 WeakPolarHBondContact CB-O 3.14Å; F197-A210 PolarHBondContact N-O 3.19Å; F197-A210 PolarHBondContact O-N 2.9Å; A210-M217 HydrophobicContact CB-CE 3.92Å; A210-M217 WeakPolarHBondContact O-CE 3.39Å |
| 211 | C | 98.3 | Very high | 96.8 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 33% | 0.331 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 138.7 | -177.7 | -71.1 | 0 | 0 | 0 | 0 | 111.4 | N194 C196 M217 | N194-C211 HydrophobicContact CB-CB 4.3Å; C196-C211 HydrophobicContact CB-CB 3.98Å; C196-C211 WeakPolarHBondContact CB-SG 3.47Å; C196-C211 WeakPolarHBondContact SG-CA 3.46Å; C196-C211 WeakPolarHBondContact SG-CB 3.42Å; C196-C211 CovalentContact SG-SG 2.04Å; C196-C211 PolarHBondContact SG-SG 2.93Å; C211-M217 VanDerWaalsContact C-CE 3.43Å |
| 212 | A | 98.5 | Very high | 97.1 | Very high | 5 Ų | 5 | 54.3 Ų | 54.3 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | trans | -71.7 | 168.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L172 N194 T195 T216 M217 | L172-A212 HydrophobicContact CD1-CB 3.88Å; L172-A212 HydrophobicContact CG-CB 4.4Å; N194-A212 VanDerWaalsContact CB-O 3.27Å; N194-A212 WeakPolarHBondContact CB-O 3.44Å; N194-A212 PolarHBondContact ND2-O 2.98Å; N194-A212 PolarHBondContact OD1-O 3.41Å; T195-A212 WeakPolarHBondContact O-CB 3.46Å; T195-A212 PolarHBondContact O-N 3.12Å; A212-T216 WeakPolarHBondContact CB-O 3.41Å; A212-M217 HydrophobicContact CB-CB 4.03Å; A212-M217 HydrophobicContact CB-CE 4.47Å | ||
| 213 | D | 98.3 | Very high | 97.4 | Very high | 139 Ų | 139 | 47.7 Ų | 47.7 | 74% | 0.743 | 25% | 0.251 | S | S | * | . | B | Isolated β-bridge | trans | -89.6 | 106.9 | 158.8 | -174.8 | 13.1 | 0 | 0 | 0 | 108.2 | D215 T216 | D213-D215 PolarHBondContact O-N 3.1Å; D213-T216 PolarHBondContact N-O 2.8Å; D213-T216 PolarHBondContact O-N 2.98Å |
| 214 | G | 98.3 | Very high | 97.7 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 26% | 0.258 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -106.7 | -161.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | N194 T195 | N194-G214 CarbonylContact C-O 3.3Å; N194-G214 WeakPolarHBondContact CA-O 3.42Å; N194-G214 WeakPolarHBondContact OD1-CA 3.46Å; N194-G214 PolarHBondContact OD1-N 3.43Å; T195-G214 PolarHBondContact N-O 2.76Å |
| 215 | D | 98.5 | Very high | 97.9 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 21% | 0.214 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -7.2 | 176.5 | -70.1 | -42.3 | 0 | 0 | 0 | 113.3 | N171 L172 R173 T195 D213 | N171-D215 CarbonylContact C-O 3.53Å; N171-D215 WeakPolarHBondContact CA-O 3.43Å; L172-D215 PolarHBondContact N-O 2.91Å; R173-D215 HydrophobicContact CB-CB 4.24Å; R173-D215 IonicContact CZ-OD1 3.86Å; R173-D215 IonicContact CZ-OD2 3.65Å; R173-D215 IonicContact NE-OD1 3.47Å; R173-D215 PolarHBondContact NE-OD1 2.89Å; R173-D215 IonicContact NE-OD2 2.81Å; R173-D215 PolarHBondContact NE-OD2 3.43Å; R173-D215 IonicContact NH2-OD1 3.34Å; R173-D215 PolarHBondContact NH2-OD1 3.05Å; R173-D215 IonicContact NH2-OD2 3.6Å; T195-D215 WeakPolarHBondContact CB-OD1 3.47Å; T195-D215 PolarHBondContact OG1-OD1 3.32Å; D213-D215 PolarHBondContact O-N 3.1Å |
| 216 | T | 98.8 | Very high | 97.9 | Very high | 63 Ų | 63 | 42.7 Ų | 42.7 | 39% | 0.387 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 117.1 | -175.5 | -58.9 | 0 | 0 | 0 | 0 | 111 | F169 A212 D213 | F169-T216 HydrophobicContact CB-CG2 3.96Å; F169-T216 HydrophobicContact CD1-CG2 4.06Å; F169-T216 HydrophobicContact CG-CG2 4.45Å; A212-T216 WeakPolarHBondContact CB-O 3.41Å; D213-T216 PolarHBondContact N-O 2.8Å; D213-T216 PolarHBondContact O-N 2.98Å |
| 217 | M | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.4 | 179.4 | -177.4 | 167.9 | -84.2 | 0 | 0 | 111.3 | F122 P124 F169 V170 L172 F197 A210 C211 A212 | F122-M217 HydrophobicContact CE1-CG 4.32Å; F122-M217 HydrophobicContact CE1-SD 3.9Å; F122-M217 HydrophobicContact CZ-CG 4.07Å; F122-M217 HydrophobicContact CZ-SD 4.25Å; P124-M217 HydrophobicContact CB-CE 4.24Å; P124-M217 HydrophobicContact CB-CG 4.26Å; P124-M217 HydrophobicContact CB-SD 3.38Å; P124-M217 WeakPolarHBondContact CB-SD 3.47Å; F169-M217 CarbonylContact C-O 3.59Å; F169-M217 WeakPolarHBondContact CA-O 3.47Å; V170-M217 PolarHBondContact N-O 3.44Å; V170-M217 PolarHBondContact O-N 3.49Å; L172-M217 HydrophobicContact CD1-CB 4.13Å; L172-M217 HydrophobicContact CD1-CE 3.75Å; L172-M217 HydrophobicContact CD1-SD 4.12Å; L172-M217 HydrophobicContact CD2-CB 3.96Å; L172-M217 HydrophobicContact CD2-SD 4.07Å; L172-M217 HydrophobicContact CG-CB 3.92Å; F197-M217 HydrophobicContact CD1-CE 4.28Å; F197-M217 HydrophobicContact CD1-SD 4.43Å; F197-M217 HydrophobicContact CE1-CE 3.94Å; F197-M217 HydrophobicContact CE1-SD 3.56Å; F197-M217 VanDerWaalsContact CE1-SD 3.56Å; F197-M217 HydrophobicContact CZ-SD 4.35Å; A210-M217 HydrophobicContact CB-CE 3.92Å; A210-M217 WeakPolarHBondContact O-CE 3.39Å; C211-M217 VanDerWaalsContact C-CE 3.43Å; A212-M217 HydrophobicContact CB-CB 4.03Å; A212-M217 HydrophobicContact CB-CE 4.47Å |
| 218 | E | 98.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 42 Ų | 42 | 10% | 0.103 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 140 | 166.5 | -166.7 | -167.6 | 137.1 | 0 | 0 | 110.2 | K125 R129 H144 F169 I363 | K125-E218 HydrophobicContact CB-CB 4.21Å; K125-E218 VanDerWaalsContact CB-O 3.23Å; K125-E218 WeakPolarHBondContact CB-O 3.4Å; K125-E218 HydrophobicContact CD-CB 4.03Å; K125-E218 HydrophobicContact CD-CG 4.43Å; K125-E218 WeakPolarHBondContact CD-OE2 3.3Å; K125-E218 PolarHBondContact N-O 3.08Å; K125-E218 IonicContact NZ-OE2 2.73Å; K125-E218 PolarHBondContact NZ-OE2 3.21Å; R129-E218 IonicContact CZ-OE1 2.66Å; R129-E218 IonicContact NH1-OE1 3.13Å; R129-E218 PolarHBondContact NH1-OE1 3.28Å; R129-E218 IonicContact NH2-OE1 3.43Å; R129-E218 PolarHBondContact NH2-OE1 3.4Å; H144-E218 IonicContact CD2-OE1 2.74Å; H144-E218 IonicContact CE1-OE1 3.55Å; H144-E218 IonicContact NE2-OE1 3.48Å; H144-E218 PolarHBondContact NE2-OE1 2.94Å; F169-E218 HydrophobicContact CD1-CB 3.9Å; F169-E218 HydrophobicContact CD1-CG 4.14Å; F169-E218 HydrophobicContact CE1-CB 3.69Å; F169-E218 HydrophobicContact CE1-CG 3.65Å; F169-E218 HydrophobicContact CZ-CG 3.98Å; E218-I363 HydrophobicContact CG-CB 4.2Å; E218-I363 HydrophobicContact CG-CG2 3.63Å |
| 219 | G | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166 | -179.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K123 R168 | K123-G219 CarbonylContact O-C 3.5Å; K123-G219 WeakPolarHBondContact O-CA 3.46Å; R168-G219 PolarHBondContact N-O 3.04Å; R168-G219 PolarHBondContact O-N 2.98Å |
| 220 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 145.2 | 173.1 | 60.3 | 0 | 0 | 0 | 0 | 110.3 | F122 K123 H144 | F122-S220 VanDerWaalsContact CA-O 3.28Å; F122-S220 WeakPolarHBondContact CA-O 3.44Å; F122-S220 WeakPolarHBondContact CD2-O 3.31Å; K123-S220 PolarHBondContact N-O 2.04Å; K123-S220 PolarHBondContact O-N 3.48Å; H144-S220 VanDerWaalsContact O-CB 3.28Å; H144-S220 WeakPolarHBondContact O-CB 3.43Å; H144-S220 PolarHBondContact O-OG 3.17Å |
| 221 | V | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 113.4 | 176.7 | 178.4 | 0 | 0 | 0 | 0 | 107.8 | M91 V120 V121 F122 V165 V166 R168 | M91-V221 HydrophobicContact CB-CG1 4.32Å; M91-V221 HydrophobicContact CE-CG1 4.09Å; M91-V221 WeakPolarHBondContact CE-O 3.06Å; V120-V221 HydrophobicContact CB-CG1 3.62Å; V120-V221 HydrophobicContact CG1-CG1 3.87Å; V120-V221 HydrophobicContact CG2-CG1 3.66Å; V121-V221 CarbonylContact O-C 3.59Å; V121-V221 WeakPolarHBondContact O-CA 3.17Å; F122-V221 HydrophobicContact CD2-CG2 4.08Å; V165-V221 WeakPolarHBondContact CA-O 3.38Å; V166-V221 HydrophobicContact CG1-CB 4.16Å; V166-V221 PolarHBondContact N-O 3.17Å; V166-V221 PolarHBondContact O-N 3.16Å; R168-V221 HydrophobicContact CB-CG2 3.65Å; R168-V221 HydrophobicContact CG-CG2 4.4Å |
| 222 | T | 98.6 | Very high | 96.8 | Very high | 16 Ų | 16 | 47.6 Ų | 47.6 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 126.9 | 177.1 | -56.4 | 0 | 0 | 0 | 0 | 109.8 | V120 V121 P163 L164 V165 W224 | V120-T222 CarbonylContact C-O 3.58Å; V120-T222 VanDerWaalsContact CA-O 3.24Å; V120-T222 WeakPolarHBondContact CA-O 3.34Å; V120-T222 WeakPolarHBondContact CB-O 3.5Å; V121-T222 PolarHBondContact N-O 3.43Å; V121-T222 PolarHBondContact O-N 2.89Å; P163-T222 HydrophobicContact CB-CG2 3.82Å; P163-T222 HydrophobicContact CG-CG2 3.46Å; P163-T222 VanDerWaalsContact CG-CG2 3.46Å; L164-T222 WeakPolarHBondContact O-CA 3.24Å; V165-T222 HydrophobicContact CG2-CG2 4.03Å; T222-W224 PolarHBondContact O-N 2.86Å |
| 223 | L | 98.4 | Very high | 96.6 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 130.9 | 179 | -167.3 | 66 | 0 | 0 | 0 | 110.5 | W64 A67 I87 M91 Q118 V120 L164 | W64-L223 HydrophobicContact CE3-CD1 4.4Å; W64-L223 HydrophobicContact CZ3-CD1 4.4Å; A67-L223 HydrophobicContact CB-CD2 3.68Å; I87-L223 HydrophobicContact CG2-CD2 4.49Å; M91-L223 HydrophobicContact CE-CB 3.79Å; M91-L223 HydrophobicContact CG-CD1 4.32Å; M91-L223 HydrophobicContact SD-CB 4.05Å; M91-L223 HydrophobicContact SD-CD1 4.25Å; Q118-L223 HydrophobicContact CG-CD1 3.47Å; Q118-L223 VanDerWaalsContact CG-CD1 3.47Å; V120-L223 HydrophobicContact CG1-CD1 4.14Å; L164-L223 HydrophobicContact CB-CB 4.16Å; L164-L223 HydrophobicContact CB-CD2 4.46Å; L164-L223 HydrophobicContact CD2-CD2 4.42Å; L164-L223 PolarHBondContact O-N 2.73Å |
| 224 | W | 97.3 | Very high | 96.4 | Very high | 113 Ų | 113 | 48 Ų | 48 | 43% | 0.428 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -71.4 | 134.2 | 174.4 | -159.5 | -91.7 | 0 | 0 | 0 | 110.2 | L111 Q118 K119 V121 T222 | L111-W224 HydrophobicContact CD1-CE3 4.32Å; L111-W224 HydrophobicContact CD1-CZ3 4.37Å; Q118-W224 PolarHBondContact NE2-O 3.08Å; K119-W224 HydrophobicContact CB-CB 3.62Å; K119-W224 HydrophobicContact CB-CD2 4.42Å; K119-W224 HydrophobicContact CB-CG 3.89Å; K119-W224 HydrophobicContact CD-CG 4.37Å; K119-W224 WeakPolarHBondContact O-CB 3.08Å; K119-W224 PolarHBondContact O-N 2.96Å; K119-W224 VanDerWaalsContact O-N 3.12Å; V121-W224 HydrophobicContact CG2-CE3 3.63Å; V121-W224 HydrophobicContact CG2-CZ3 3.52Å; T222-W224 PolarHBondContact O-N 2.86Å |
| 225 | L | 96.6 | Very high | 96.3 | Very high | 19 Ų | 19 | 55.7 Ų | 55.7 | 10% | 0.099 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 150.7 | 176.7 | -66.6 | 174.5 | 0 | 0 | 0 | 111 | V71 V76 P163 L231 F296 I306 | V71-L225 HydrophobicContact CG2-CD2 4.32Å; V76-L225 HydrophobicContact CG1-CD2 3.8Å; V76-L225 HydrophobicContact CG2-CD2 4.47Å; P163-L225 HydrophobicContact CB-CD2 4.45Å; L225-L231 HydrophobicContact CD1-CD2 4.13Å; L225-F296 HydrophobicContact CD1-CE1 4.04Å; L225-F296 HydrophobicContact CD1-CZ 4.38Å; L225-I306 HydrophobicContact CD1-CG2 4.08Å |
| 226 | P | 95.5 | Very high | 96.2 | Very high | 23 Ų | 23 | 54.4 Ų | 54.4 | 15% | 0.149 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 142 | -177.7 | -24.4 | 35.7 | 0 | 0 | 0 | 112.8 | A68 V71 V228 W229 | A68-P226 HydrophobicContact CB-CB 4.19Å; A68-P226 HydrophobicContact CB-CG 3.6Å; V71-P226 HydrophobicContact CB-CG 4.36Å; V71-P226 HydrophobicContact CG2-CG 3.98Å; P226-V228 HydrophobicContact CB-CG2 3.84Å; P226-V228 PolarHBondContact O-N 3.2Å; P226-V228 VanDerWaalsContact O-N 3.09Å; P226-W229 PolarHBondContact O-N 3.38Å |
| 227 | D | 93.8 | Very high | 96.2 | Very high | 120 Ų | 120 | 52.3 Ų | 52.3 | 64% | 0.642 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.1 | -178.6 | -69.8 | -26.2 | 0 | 0 | 0 | 112.7 | K119 W229 | K119-D227 IonicContact NZ-OD1 4Å; K119-D227 IonicContact NZ-OD2 3.11Å; K119-D227 PolarHBondContact NZ-OD2 3.08Å; D227-W229 PolarHBondContact O-N 3.06Å |
| 228 | V | 93.4 | Very high | 96.2 | Very high | 116 Ų | 116 | 53 Ų | 53 | 70% | 0.703 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -13 | 173 | -62.2 | 0 | 0 | 0 | 0 | 113.6 | P226 P230 | P226-V228 HydrophobicContact CB-CG2 3.84Å; P226-V228 PolarHBondContact O-N 3.2Å; P226-V228 VanDerWaalsContact O-N 3.09Å; V228-P230 WeakPolarHBondContact O-CD 3.46Å |
| 229 | W | 93.3 | Very high | 96.1 | Very high | 65 Ų | 65 | 52.4 Ų | 52.4 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -114.9 | 69.2 | 179.1 | -69 | 119.3 | 0 | 0 | 0 | 110.8 | V71 P73 P226 D227 F296 | V71-W229 HydrophobicContact CG1-CB 4.49Å; V71-W229 HydrophobicContact CG1-CD2 4.37Å; V71-W229 HydrophobicContact CG1-CG 3.87Å; V71-W229 WeakPolarHBondContact O-CZ2 3.37Å; V71-W229 PolarHBondContact O-NE1 3.15Å; P73-W229 HydrophobicContact CG-CH2 3.73Å; P73-W229 HydrophobicContact CG-CZ3 3.98Å; P226-W229 PolarHBondContact O-N 3.38Å; D227-W229 PolarHBondContact O-N 3.06Å; W229-F296 HydrophobicContact CB-CD1 3.59Å; W229-F296 HydrophobicContact CB-CE1 3.53Å; W229-F296 HydrophobicContact CB-CG 4.31Å; W229-F296 HydrophobicContact CB-CZ 4.2Å; W229-F296 HydrophobicContact CD2-CG 4.48Å; W229-F296 HydrophobicContact CE3-CB 4.09Å; W229-F296 HydrophobicContact CE3-CD1 4.36Å; W229-F296 HydrophobicContact CE3-CD2 4.06Å; W229-F296 AromaticContact CE3-CG 3.92Å; W229-F296 HydrophobicContact CE3-CG 3.92Å; W229-F296 HydrophobicContact CG-CD1 4.34Å; W229-F296 HydrophobicContact CG-CE1 4.22Å; W229-F296 HydrophobicContact CG-CZ 4.44Å |
| 230 | P | 93.5 | Very high | 95.9 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 38% | 0.377 | 26% | 0.26 | S | S | . | . | trans | -64.5 | 139.9 | -179.1 | 27.3 | -33.9 | 0 | 0 | 0 | 111.1 | V228 F296 Q297 | V228-P230 WeakPolarHBondContact O-CD 3.46Å; P230-F296 WeakPolarHBondContact O-CA 3.22Å; P230-Q297 HydrophobicContact CB-CG 4.46Å; P230-Q297 HydrophobicContact CG-CB 4.16Å; P230-Q297 HydrophobicContact CG-CG 4.41Å; P230-Q297 PolarHBondContact O-N 3.16Å | ||
| 231 | L | 93.6 | Very high | 95.7 | Very high | 65 Ų | 65 | 56 Ų | 56 | 34% | 0.34 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 139.2 | -177.3 | -61.8 | 173 | 0 | 0 | 0 | 111.8 | L225 E294 S295 F296 Q297 I306 L308 | L225-L231 HydrophobicContact CD1-CD2 4.13Å; L231-E294 HydrophobicContact CB-CB 4.42Å; L231-E294 HydrophobicContact CB-CG 4.44Å; L231-E294 HydrophobicContact CD1-CG 4.47Å; L231-E294 HydrophobicContact CD2-CB 4.33Å; L231-S295 CarbonylContact C-O 3.59Å; L231-S295 WeakPolarHBondContact CA-O 3.35Å; L231-F296 HydrophobicContact CD2-CD1 3.81Å; L231-F296 HydrophobicContact CD2-CE1 3.84Å; L231-Q297 PolarHBondContact O-NE2 3.32Å; L231-I306 HydrophobicContact CD2-CG1 4.16Å; L231-L308 HydrophobicContact CD1-CD1 3.53Å |
| 232 | Q | 93.1 | Very high | 95.4 | Very high | 91 Ų | 91 | 59.4 Ų | 59.4 | 43% | 0.425 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129.1 | 167 | -166.2 | 178.8 | 17.7 | 0 | 0 | 109.3 | H234 E294 S295 Q297 | Q232-H234 VanDerWaalsContact CD-CE1 3.47Å; Q232-H234 PolarHBondContact O-CD2 3.05Å; Q232-H234 PolarHBondContact OE1-CE1 3.09Å; Q232-H234 VanDerWaalsContact OE1-CE1 3.31Å; Q232-H234 PolarHBondContact OE1-NE2 3.19Å; Q232-E294 CarbonylContact O-C 3.59Å; Q232-E294 VanDerWaalsContact O-CA 3.25Å; Q232-E294 WeakPolarHBondContact O-CA 3.26Å; Q232-S295 PolarHBondContact N-O 3.45Å; Q232-S295 PolarHBondContact O-N 2.97Å; Q232-Q297 HydrophobicContact CB-CG 3.78Å |
| 233 | K | 93.4 | Very high | 95 | Very high | 125 Ų | 125 | 66.6 Ų | 66.6 | 54% | 0.543 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 132.1 | 177.4 | -173.8 | 172.3 | -177.7 | 168.4 | 0 | 111.1 | H292 | K233-H292 HydrophobicContact CD-CB 4.49Å; K233-H292 VanDerWaalsContact CE-CB 3.44Å; K233-H292 WeakPolarHBondContact CE-CD2 3.43Å; K233-H292 HydrophobicContact CG-CB 4.22Å |
| 234 | H | 94.4 | Very high | 94.6 | Very high | 28 Ų | 28 | 75.5 Ų | 75.5 | 13% | 0.13 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 146.4 | 178.9 | -58.6 | -90.4 | 0 | 0 | 0 | 110.3 | Q232 R271 H292 Y293 S295 | Q232-H234 VanDerWaalsContact CD-CE1 3.47Å; Q232-H234 PolarHBondContact O-CD2 3.05Å; Q232-H234 PolarHBondContact OE1-CE1 3.09Å; Q232-H234 VanDerWaalsContact OE1-CE1 3.31Å; Q232-H234 PolarHBondContact OE1-NE2 3.19Å; H234-R271 PolarHBondContact NE2-NH1 3.39Å; H234-H292 CarbonylContact O-C 3.59Å; H234-H292 WeakPolarHBondContact O-CA 3.46Å; H234-H292 VanDerWaalsContact O-CB 3.28Å; H234-H292 WeakPolarHBondContact O-CB 3.07Å; H234-H292 PolarHBondContact O-CD2 2.87Å; H234-H292 VanDerWaalsContact O-CD2 3.3Å; H234-Y293 HydrophobicContact CB-CD1 4.07Å; H234-Y293 HydrophobicContact CB-CD2 3.95Å; H234-Y293 HydrophobicContact CB-CE1 3.58Å; H234-Y293 HydrophobicContact CB-CE2 3.42Å; H234-Y293 VanDerWaalsContact CB-CE2 3.42Å; H234-Y293 HydrophobicContact CB-CG 4.24Å; H234-Y293 WeakPolarHBondContact CB-OH 3.36Å; H234-Y293 AromaticContact CD2-CD2 3.95Å; H234-Y293 AromaticContact CD2-CE2 3.4Å; H234-Y293 WeakPolarHBondContact CD2-CE2 3.45Å; H234-Y293 AromaticContact CG-CE2 3.46Å; H234-Y293 VanDerWaalsContact CG-CE2 3.46Å; H234-Y293 AromaticContact CG-CZ 3.6Å; H234-Y293 PolarHBondContact N-O 2.98Å; H234-Y293 PolarHBondContact O-N 3.43Å; H234-S295 PolarHBondContact NE2-OG 2.89Å |
| 235 | R | 96 | Very high | 94.3 | Very high | 187 Ų | 187 | 74.3 Ų | 74.3 | 71% | 0.706 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 132.1 | 170.3 | -174 | 175.7 | -179.9 | -167.6 | -1.8 | 109.1 | ||
| 236 | H | 97.5 | Very high | 94.2 | Very high | 12 Ų | 12 | 78.9 Ų | 78.9 | 6% | 0.056 | 39% | 0.393 | C | S | . | . | trans | -72.4 | 129.7 | 177.2 | -161.3 | -81.7 | 0 | 0 | 0 | 110 | W238 G239 R290 H291 Y293 | H236-W238 VanDerWaalsContact C-N 3.28Å; H236-W238 PolarHBondContact ND1-N 2.6Å; H236-W238 VanDerWaalsContact ND1-N 3.18Å; H236-W238 PolarHBondContact O-N 3.44Å; H236-G239 PolarHBondContact O-N 3.24Å; H236-R290 WeakPolarHBondContact CB-O 3.21Å; H236-H291 WeakPolarHBondContact CB-O 3.42Å; H236-H291 PolarHBondContact N-O 3.31Å; H236-Y293 HydrophobicContact CB-CD1 4.4Å; H236-Y293 AromaticContact CD2-CD1 3.88Å | ||
| 237 | P | 97.9 | Very high | 94.2 | Very high | 20 Ų | 20 | 83 Ų | 83 | 13% | 0.13 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -38.5 | -179.6 | -21.9 | 32.3 | 0 | 0 | 0 | 112 | G239 Y256 V260 Y266 I275 | P237-G239 PolarHBondContact O-N 3.32Å; P237-Y256 HydrophobicContact CB-CE1 4.41Å; P237-Y256 PolarHBondContact O-OH 2.94Å; P237-V260 HydrophobicContact CB-CG1 4.43Å; P237-V260 HydrophobicContact CB-CG2 4.17Å; P237-V260 HydrophobicContact CG-CG1 4.48Å; P237-Y266 HydrophobicContact CG-CD2 4.24Å; P237-Y266 HydrophobicContact CG-CE1 4.04Å; P237-Y266 HydrophobicContact CG-CE2 3.5Å; P237-Y266 VanDerWaalsContact CG-CE2 3.5Å; P237-Y266 WeakPolarHBondContact CG-OH 3.36Å; P237-I275 HydrophobicContact CG-CD1 4Å |
| 238 | W | 98.4 | Very high | 94.3 | Very high | 16 Ų | 16 | 77.7 Ų | 77.7 | 6% | 0.061 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 23.1 | 172.4 | -66.3 | -97.7 | 0 | 0 | 0 | 114 | H236 W250 Y256 C257 V260 L272 I275 P327 | H236-W238 VanDerWaalsContact C-N 3.28Å; H236-W238 PolarHBondContact ND1-N 2.6Å; H236-W238 VanDerWaalsContact ND1-N 3.18Å; H236-W238 PolarHBondContact O-N 3.44Å; W238-W250 VanDerWaalsContact C-NE1 3.3Å; W238-W250 HydrophobicContact CB-CD2 4.42Å; W238-W250 HydrophobicContact CB-CG 4.37Å; W238-W250 AromaticContact CD1-CD2 3.85Å; W238-W250 AromaticContact CD1-CG 3.66Å; W238-W250 HydrophobicContact CG-CB 4.43Å; W238-W250 HydrophobicContact CG-CG 4.27Å; W238-W250 PolarHBondContact O-NE1 2.73Å; W238-Y256 HydrophobicContact CD2-CE1 4.12Å; W238-Y256 AromaticContact CE2-CD1 3.8Å; W238-Y256 AromaticContact CE2-CE1 3.77Å; W238-Y256 HydrophobicContact CG-CE1 4.43Å; W238-Y256 AromaticContact CZ2-CD1 3.99Å; W238-Y256 HydrophobicContact CZ2-CD1 3.99Å; W238-Y256 HydrophobicContact CZ2-CE1 4.09Å; W238-Y256 AromaticContact NE1-CD1 3.63Å; W238-Y256 AromaticContact NE1-CE1 3.88Å; W238-C257 HydrophobicContact CZ2-CB 4.06Å; W238-V260 HydrophobicContact CH2-CB 4.05Å; W238-V260 HydrophobicContact CH2-CG1 3.76Å; W238-V260 HydrophobicContact CH2-CG2 3.95Å; W238-V260 HydrophobicContact CZ2-CG2 4.24Å; W238-V260 HydrophobicContact CZ3-CG1 4Å; W238-V260 HydrophobicContact CZ3-CG2 4.43Å; W238-L272 HydrophobicContact CH2-CD1 4.01Å; W238-L272 HydrophobicContact CZ3-CD1 4.22Å; W238-I275 HydrophobicContact CE3-CG2 3.94Å; W238-I275 HydrophobicContact CZ3-CG2 3.86Å; W238-P327 HydrophobicContact CB-CG 4.18Å; W238-P327 HydrophobicContact CD2-CB 4.09Å; W238-P327 HydrophobicContact CD2-CG 3.6Å; W238-P327 HydrophobicContact CE3-CB 4.11Å; W238-P327 HydrophobicContact CE3-CG 3.8Å; W238-P327 HydrophobicContact CG-CG 3.75Å; W238-P327 HydrophobicContact CH2-CB 4.39Å; W238-P327 HydrophobicContact CZ2-CB 4.35Å; W238-P327 HydrophobicContact CZ3-CB 4.27Å; W238-P327 HydrophobicContact CZ3-CG 4.45Å |
| 239 | G | 96.9 | Very high | 94.5 | Very high | 9 Ų | 9 | 78.4 Ų | 78.4 | 9% | 0.093 | 38% | 0.376 | C | S | . | . | trans | -63.7 | 136.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | H236 P237 W250 | H236-G239 PolarHBondContact O-N 3.24Å; P237-G239 PolarHBondContact O-N 3.32Å; G239-W250 PolarHBondContact O-NE1 3.17Å; G239-W250 VanDerWaalsContact O-NE1 3.09Å | ||
| 240 | R | 95.5 | Very high | 94.8 | Very high | 37 Ų | 37 | 75.7 Ų | 75.7 | 14% | 0.14 | 37% | 0.366 | C | S | . | . | trans | -68.2 | 164 | 174.2 | -64.9 | 178.4 | -171.9 | -80.8 | -0.5 | 111.5 | Y242 W250 E251 A288 S323 | R240-Y242 HydrophobicContact CB-CD2 4.2Å; R240-Y242 HydrophobicContact CB-CE2 3.86Å; R240-Y242 WeakPolarHBondContact O-CD2 3.46Å; R240-Y242 WeakPolarHBondContact O-CE2 3.31Å; R240-W250 HydrophobicContact CG-CZ2 4.06Å; R240-E251 IonicContact NH1-OE1 3.67Å; R240-A288 PolarHBondContact NE-O 3.34Å; R240-A288 VanDerWaalsContact NE-O 3.08Å; R240-S323 PolarHBondContact NH1-OG 2.9Å; R240-S323 PolarHBondContact NH2-OG 2.88Å | ||
| 241 | T | 93.7 | Very high | 94.9 | Very high | 39 Ų | 39 | 76.3 Ų | 76.3 | 24% | 0.239 | 36% | 0.364 | C | S | . | . | trans | -83.5 | -24.4 | 177.9 | 62.1 | 0 | 0 | 0 | 0 | 113.6 | R243 K246 A248 | T241-R243 PolarHBondContact O-N 3.18Å; T241-R243 PolarHBondContact OG1-N 3.34Å; T241-K246 WeakPolarHBondContact CB-O 3.38Å; T241-K246 HydrophobicContact CG2-CD 4.41Å; T241-K246 HydrophobicContact CG2-CG 4.2Å; T241-K246 VanDerWaalsContact CG2-O 3.28Å; T241-K246 WeakPolarHBondContact CG2-O 3.44Å; T241-K246 PolarHBondContact OG1-O 3.5Å; T241-A248 HydrophobicContact CG2-CB 3.84Å | ||
| 242 | Y | 91.6 | Very high | 95.1 | Very high | 72 Ų | 72 | 80.4 Ų | 80.4 | 28% | 0.282 | 38% | 0.376 | S | S | . | . | trans | 53.5 | 30.4 | -172.4 | -56.8 | -89.1 | 0 | 0 | 0 | 113.1 | Y138 R240 D289 H291 | Y138-Y242 HydrophobicContact CD1-CD1 4.16Å; Y138-Y242 AromaticContact CD1-CE1 3.95Å; Y138-Y242 HydrophobicContact CD1-CE1 3.95Å; Y138-Y242 AromaticContact CD2-CD1 3.74Å; Y138-Y242 HydrophobicContact CD2-CD1 3.74Å; Y138-Y242 AromaticContact CD2-CE1 3.81Å; Y138-Y242 HydrophobicContact CD2-CE1 3.81Å; Y138-Y242 HydrophobicContact CE1-CD1 4.12Å; Y138-Y242 HydrophobicContact CE1-CE1 4.37Å; Y138-Y242 AromaticContact CE2-CD1 3.68Å; Y138-Y242 HydrophobicContact CE2-CD1 3.68Å; Y138-Y242 HydrophobicContact CE2-CE1 4.21Å; Y138-Y242 AromaticContact CG-CD1 3.99Å; Y138-Y242 HydrophobicContact CG-CD1 3.99Å; Y138-Y242 AromaticContact CG-CE1 3.67Å; Y138-Y242 HydrophobicContact CG-CE1 3.67Å; Y138-Y242 AromaticContact CZ-CD1 3.89Å; R240-Y242 HydrophobicContact CB-CD2 4.2Å; R240-Y242 HydrophobicContact CB-CE2 3.86Å; R240-Y242 WeakPolarHBondContact O-CD2 3.46Å; R240-Y242 WeakPolarHBondContact O-CE2 3.31Å; Y242-D289 WeakPolarHBondContact CE1-OD1 3.33Å; Y242-D289 PolarHBondContact OH-O 3.27Å; Y242-D289 PolarHBondContact OH-OD1 3.49Å; Y242-H291 HydrophobicContact CE2-CB 3.67Å; Y242-H291 AromaticContact CE2-CD2 3.89Å; Y242-H291 AromaticContact CZ-CD2 3.69Å; Y242-H291 WeakPolarHBondContact OH-CB 3.35Å; Y242-H291 PolarHBondContact OH-CD2 3.32Å; Y242-H291 VanDerWaalsContact OH-CD2 3.32Å | ||
| 243 | R | 91.8 | Very high | 95.3 | Very high | 168 Ų | 168 | 77.3 Ų | 77.3 | 63% | 0.634 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -131.2 | 121.2 | 179.7 | -69.3 | -178.5 | -170.2 | -165.5 | 1.5 | 108.7 | T241 G245 K246 | T241-R243 PolarHBondContact O-N 3.18Å; T241-R243 PolarHBondContact OG1-N 3.34Å; R243-G245 PolarHBondContact O-N 3.18Å; R243-K246 HydrophobicContact CB-CB 3.98Å; R243-K246 PolarHBondContact O-N 3.22Å; R243-K246 VanDerWaalsContact O-N 3.11Å |
| 244 | E | 89.3 | Confident | 95.3 | Very high | 203 Ų | 203 | 80.3 Ų | 80.3 | 95% | 0.949 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 135.1 | 175.7 | -167.5 | 178.8 | 179.2 | 0 | 0 | 110.7 | K246 | E244-K246 PolarHBondContact O-N 3.46Š|
| 245 | G | 90.8 | Very high | 95.3 | Very high | 88 Ų | 88 | 82 Ų | 82 | 91% | 0.907 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 3.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R243 | R243-G245 PolarHBondContact O-N 3.18Š|
| 246 | K | 94.9 | Very high | 95.5 | Very high | 115 Ų | 115 | 74.6 Ų | 74.6 | 50% | 0.5 | 37% | 0.365 | S | S | . | . | trans | -113.6 | 108.6 | 178.6 | -171.3 | -178.3 | 179.8 | 172.4 | 0 | 111.6 | T241 R243 E244 | T241-K246 WeakPolarHBondContact CB-O 3.38Å; T241-K246 HydrophobicContact CG2-CD 4.41Å; T241-K246 HydrophobicContact CG2-CG 4.2Å; T241-K246 VanDerWaalsContact CG2-O 3.28Å; T241-K246 WeakPolarHBondContact CG2-O 3.44Å; T241-K246 PolarHBondContact OG1-O 3.5Å; R243-K246 HydrophobicContact CB-CB 3.98Å; R243-K246 PolarHBondContact O-N 3.22Å; R243-K246 VanDerWaalsContact O-N 3.11Å; E244-K246 PolarHBondContact O-N 3.46Å | ||
| 247 | L | 95.3 | Very high | 95.5 | Very high | 108 Ų | 108 | 74.1 Ų | 74.1 | 57% | 0.565 | 36% | 0.363 | S | S | * | . | trans | -74.5 | 142.8 | 173 | -59.4 | 178.7 | 0 | 0 | 0 | 112.1 | E251 Y252 | L247-E251 WeakPolarHBondContact CA-OE2 3.34Å; L247-E251 HydrophobicContact CB-CB 4.3Å; L247-E251 HydrophobicContact CD2-CB 4.44Å; L247-E251 WeakPolarHBondContact CD2-OE2 3.24Å; L247-Y252 HydrophobicContact CB-CD1 3.99Å; L247-Y252 HydrophobicContact CB-CE1 4.44Å | ||
| 248 | A | 96.9 | Very high | 95.5 | Very high | 10 Ų | 10 | 77.2 Ų | 77.2 | 8% | 0.083 | 38% | 0.378 | C | S | . | . | trans | -74 | 155.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | T241 W250 E251 Y252 | T241-A248 HydrophobicContact CG2-CB 3.84Å; A248-W250 VanDerWaalsContact C-N 3.26Å; A248-W250 VanDerWaalsContact CB-CD1 3.5Å; A248-W250 HydrophobicContact CB-CD2 4.44Å; A248-W250 HydrophobicContact CB-CG 4.24Å; A248-W250 HydrophobicContact CB-CZ2 4.48Å; A248-W250 PolarHBondContact O-N 3.09Å; A248-E251 HydrophobicContact CB-CG 4.28Å; A248-E251 PolarHBondContact N-OE2 2.76Å; A248-E251 WeakPolarHBondContact O-CB 3.47Å; A248-E251 PolarHBondContact O-N 3.45Å; A248-Y252 VanDerWaalsContact O-CD1 3.27Å; A248-Y252 WeakPolarHBondContact O-CD1 3.33Å; A248-Y252 WeakPolarHBondContact O-CE1 3.21Å | ||
| 249 | R | 97.5 | Very high | 95.5 | Very high | 130 Ų | 130 | 78 Ų | 78 | 49% | 0.491 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.9 | -41.2 | -177.5 | -174.2 | 179.3 | 167.9 | -179.4 | -2.4 | 112.7 | E251 Y252 D253 Y256 | R249-E251 PolarHBondContact O-N 3.25Å; R249-Y252 HydrophobicContact CG-CE2 4.34Å; R249-Y252 PolarHBondContact O-N 3.16Å; R249-D253 HydrophobicContact CG-CB 4.01Å; R249-D253 IonicContact CZ-OD2 3.3Å; R249-D253 VanDerWaalsContact CZ-OD2 3.3Å; R249-D253 IonicContact NE-OD2 2.69Å; R249-D253 PolarHBondContact NE-OD2 2.98Å; R249-D253 IonicContact NH2-OD2 2.87Å; R249-D253 PolarHBondContact NH2-OD2 2.93Å; R249-D253 VanDerWaalsContact O-CB 3.25Å; R249-D253 WeakPolarHBondContact O-CB 3.4Å; R249-D253 PolarHBondContact O-N 3.11Å; R249-Y256 HydrophobicContact CB-CD2 4.14Å; R249-Y256 HydrophobicContact CB-CE2 4.04Å; R249-Y256 HydrophobicContact CG-CD2 3.82Å; R249-Y256 HydrophobicContact CG-CE2 4.1Å |
| 250 | W | 98 | Very high | 95.5 | Very high | 9 Ų | 9 | 77.9 Ų | 77.9 | 3% | 0.034 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.8 | -16.6 | 179.9 | 64.2 | -100.3 | 0 | 0 | 0 | 113.9 | W238 G239 R240 A248 Y256 A326 Q330 | W238-W250 VanDerWaalsContact C-NE1 3.3Å; W238-W250 HydrophobicContact CB-CD2 4.42Å; W238-W250 HydrophobicContact CB-CG 4.37Å; W238-W250 AromaticContact CD1-CD2 3.85Å; W238-W250 AromaticContact CD1-CG 3.66Å; W238-W250 HydrophobicContact CG-CB 4.43Å; W238-W250 HydrophobicContact CG-CG 4.27Å; W238-W250 PolarHBondContact O-NE1 2.73Å; G239-W250 PolarHBondContact O-NE1 3.17Å; G239-W250 VanDerWaalsContact O-NE1 3.09Å; R240-W250 HydrophobicContact CG-CZ2 4.06Å; A248-W250 VanDerWaalsContact C-N 3.26Å; A248-W250 VanDerWaalsContact CB-CD1 3.5Å; A248-W250 HydrophobicContact CB-CD2 4.44Å; A248-W250 HydrophobicContact CB-CG 4.24Å; A248-W250 HydrophobicContact CB-CZ2 4.48Å; A248-W250 PolarHBondContact O-N 3.09Å; W250-Y256 HydrophobicContact CB-CD1 3.37Å; W250-Y256 HydrophobicContact CB-CD2 4.12Å; W250-Y256 HydrophobicContact CB-CE1 3.6Å; W250-Y256 HydrophobicContact CB-CE2 4.32Å; W250-Y256 HydrophobicContact CB-CG 3.65Å; W250-A326 HydrophobicContact CE3-CB 3.83Å; W250-A326 HydrophobicContact CZ3-CB 3.94Å; W250-Q330 PolarHBondContact O-NE2 2.95Å |
| 251 | E | 97.3 | Very high | 95.6 | Very high | 71 Ų | 71 | 79.6 Ų | 79.6 | 33% | 0.332 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -80.5 | -19.8 | 179.5 | -67.4 | 175.9 | 139.7 | 0 | 0 | 112.9 | R240 L247 A248 R249 | R240-E251 IonicContact NH1-OE1 3.67Å; L247-E251 WeakPolarHBondContact CA-OE2 3.34Å; L247-E251 HydrophobicContact CB-CB 4.3Å; L247-E251 HydrophobicContact CD2-CB 4.44Å; L247-E251 WeakPolarHBondContact CD2-OE2 3.24Å; A248-E251 HydrophobicContact CB-CG 4.28Å; A248-E251 PolarHBondContact N-OE2 2.76Å; A248-E251 WeakPolarHBondContact O-CB 3.47Å; A248-E251 PolarHBondContact O-N 3.45Å; R249-E251 PolarHBondContact O-N 3.25Å |
| 252 | Y | 96.4 | Very high | 95.8 | Very high | 151 Ų | 151 | 85.6 Ų | 85.6 | 59% | 0.592 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -128.2 | -15.4 | -178.5 | 63.9 | -100.4 | 0 | 0 | 0 | 114.8 | L247 A248 R249 | L247-Y252 HydrophobicContact CB-CD1 3.99Å; L247-Y252 HydrophobicContact CB-CE1 4.44Å; A248-Y252 VanDerWaalsContact O-CD1 3.27Å; A248-Y252 WeakPolarHBondContact O-CD1 3.33Å; A248-Y252 WeakPolarHBondContact O-CE1 3.21Å; R249-Y252 HydrophobicContact CG-CE2 4.34Å; R249-Y252 PolarHBondContact O-N 3.16Å |
| 253 | D | 97.4 | Very high | 95.9 | Very high | 25 Ų | 25 | 85.8 Ų | 85.8 | 13% | 0.134 | 43% | 0.426 | C | S | . | . | trans | -93.9 | 101.6 | 177 | -176.8 | -6 | 0 | 0 | 0 | 109.7 | R249 S255 Y256 | R249-D253 HydrophobicContact CG-CB 4.01Å; R249-D253 IonicContact CZ-OD2 3.3Å; R249-D253 VanDerWaalsContact CZ-OD2 3.3Å; R249-D253 IonicContact NE-OD2 2.69Å; R249-D253 PolarHBondContact NE-OD2 2.98Å; R249-D253 IonicContact NH2-OD2 2.87Å; R249-D253 PolarHBondContact NH2-OD2 2.93Å; R249-D253 VanDerWaalsContact O-CB 3.25Å; R249-D253 WeakPolarHBondContact O-CB 3.4Å; R249-D253 PolarHBondContact O-N 3.11Å; D253-S255 PolarHBondContact O-N 3.41Å; D253-S255 WeakPolarHBondContact OD1-CA 3.39Å; D253-S255 PolarHBondContact OD1-N 3.01Å; D253-S255 PolarHBondContact OD1-OG 3.32Å; D253-Y256 WeakPolarHBondContact O-CB 3.45Å; D253-Y256 PolarHBondContact O-N 3.46Å; D253-Y256 PolarHBondContact OD1-N 3.47Å | ||
| 254 | E | 93 | Very high | 95.9 | Very high | 189 Ų | 189 | 82 Ų | 82 | 88% | 0.883 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24 | 178.7 | -65.2 | -174.5 | 168.9 | 0 | 0 | 112.8 | ||
| 255 | S | 95.9 | Very high | 96.1 | Very high | 62 Ų | 62 | 74.3 Ų | 74.3 | 43% | 0.434 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 11.2 | 177.6 | 69.1 | 0 | 0 | 0 | 0 | 113.4 | D253 C257 D258 | D253-S255 PolarHBondContact O-N 3.41Å; D253-S255 WeakPolarHBondContact OD1-CA 3.39Å; D253-S255 PolarHBondContact OD1-N 3.01Å; D253-S255 PolarHBondContact OD1-OG 3.32Å; S255-C257 VanDerWaalsContact C-N 3.29Å; S255-C257 PolarHBondContact O-N 2.89Å; S255-D258 WeakPolarHBondContact O-CB 3.11Å; S255-D258 PolarHBondContact O-N 3.25Å |
| 256 | Y | 98.5 | Very high | 96.2 | Very high | 33 Ų | 33 | 71.4 Ų | 71.4 | 13% | 0.129 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54.3 | -42.6 | -173.1 | -179.2 | -102.3 | 0 | 0 | 0 | 113.2 | P237 W238 R249 W250 D253 D258 A259 V260 | P237-Y256 HydrophobicContact CB-CE1 4.41Å; P237-Y256 PolarHBondContact O-OH 2.94Å; W238-Y256 HydrophobicContact CD2-CE1 4.12Å; W238-Y256 AromaticContact CE2-CD1 3.8Å; W238-Y256 AromaticContact CE2-CE1 3.77Å; W238-Y256 HydrophobicContact CG-CE1 4.43Å; W238-Y256 AromaticContact CZ2-CD1 3.99Å; W238-Y256 HydrophobicContact CZ2-CD1 3.99Å; W238-Y256 HydrophobicContact CZ2-CE1 4.09Å; W238-Y256 AromaticContact NE1-CD1 3.63Å; W238-Y256 AromaticContact NE1-CE1 3.88Å; R249-Y256 HydrophobicContact CB-CD2 4.14Å; R249-Y256 HydrophobicContact CB-CE2 4.04Å; R249-Y256 HydrophobicContact CG-CD2 3.82Å; R249-Y256 HydrophobicContact CG-CE2 4.1Å; W250-Y256 HydrophobicContact CB-CD1 3.37Å; W250-Y256 HydrophobicContact CB-CD2 4.12Å; W250-Y256 HydrophobicContact CB-CE1 3.6Å; W250-Y256 HydrophobicContact CB-CE2 4.32Å; W250-Y256 HydrophobicContact CB-CG 3.65Å; D253-Y256 WeakPolarHBondContact O-CB 3.45Å; D253-Y256 PolarHBondContact O-N 3.46Å; D253-Y256 PolarHBondContact OD1-N 3.47Å; Y256-D258 VanDerWaalsContact C-N 3.27Å; Y256-D258 PolarHBondContact O-N 2.8Å; Y256-A259 WeakPolarHBondContact O-CB 3.37Å; Y256-A259 PolarHBondContact O-N 3.1Å; Y256-A259 VanDerWaalsContact O-N 3.16Å; Y256-V260 HydrophobicContact CD1-CG2 3.91Å; Y256-V260 HydrophobicContact CE1-CG2 3.42Å; Y256-V260 VanDerWaalsContact CE1-CG2 3.42Å; Y256-V260 PolarHBondContact O-N 3.18Å |
| 257 | C | 98.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.014 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.9 | -28.8 | 179.8 | -172.1 | 0 | 0 | 0 | 0 | 113 | W238 S255 A259 V260 K261 Q330 C331 | W238-C257 HydrophobicContact CZ2-CB 4.06Å; S255-C257 VanDerWaalsContact C-N 3.29Å; S255-C257 PolarHBondContact O-N 2.89Å; C257-A259 PolarHBondContact O-N 3.23Å; C257-V260 PolarHBondContact O-N 3.38Å; C257-V260 VanDerWaalsContact O-N 3.08Å; C257-K261 WeakPolarHBondContact O-CB 3.48Å; C257-K261 WeakPolarHBondContact O-CG 3.3Å; C257-K261 PolarHBondContact O-N 3.45Å; C257-Q330 HydrophobicContact CB-CB 3.89Å; C257-C331 HydrophobicContact CB-CB 4.06Å; C257-C331 WeakPolarHBondContact CB-SG 3.05Å; C257-C331 WeakPolarHBondContact SG-CA 3.45Å; C257-C331 WeakPolarHBondContact SG-CB 3.31Å; C257-C331 CovalentContact SG-SG 2.02Å; C257-C331 PolarHBondContact SG-SG 3.02Å |
| 258 | D | 97.8 | Very high | 95.8 | Very high | 84 Ų | 84 | 68.5 Ų | 68.5 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.3 | -30.4 | 177 | -65.3 | -26.8 | 0 | 0 | 0 | 112.2 | S255 Y256 K262 | S255-D258 WeakPolarHBondContact O-CB 3.11Å; S255-D258 PolarHBondContact O-N 3.25Å; Y256-D258 VanDerWaalsContact C-N 3.27Å; Y256-D258 PolarHBondContact O-N 2.8Å; D258-K262 WeakPolarHBondContact O-CD 3.39Å; D258-K262 WeakPolarHBondContact O-CG 3.37Å |
| 259 | A | 97.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 71 Ų | 71 | 27% | 0.273 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -73.9 | -40.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y256 C257 K262 T263 | Y256-A259 WeakPolarHBondContact O-CB 3.37Å; Y256-A259 PolarHBondContact O-N 3.1Å; Y256-A259 VanDerWaalsContact O-N 3.16Å; C257-A259 PolarHBondContact O-N 3.23Å; A259-K262 PolarHBondContact O-N 2.99Å; A259-T263 PolarHBondContact O-OG1 3.45Å |
| 260 | V | 98.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 66.5 Ų | 66.5 | 4% | 0.036 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 177 | 178 | 0 | 0 | 0 | 0 | 110.9 | P237 W238 Y256 C257 K262 T263 Y266 L272 | P237-V260 HydrophobicContact CB-CG1 4.43Å; P237-V260 HydrophobicContact CB-CG2 4.17Å; P237-V260 HydrophobicContact CG-CG1 4.48Å; W238-V260 HydrophobicContact CH2-CB 4.05Å; W238-V260 HydrophobicContact CH2-CG1 3.76Å; W238-V260 HydrophobicContact CH2-CG2 3.95Å; W238-V260 HydrophobicContact CZ2-CG2 4.24Å; W238-V260 HydrophobicContact CZ3-CG1 4Å; W238-V260 HydrophobicContact CZ3-CG2 4.43Å; Y256-V260 HydrophobicContact CD1-CG2 3.91Å; Y256-V260 HydrophobicContact CE1-CG2 3.42Å; Y256-V260 VanDerWaalsContact CE1-CG2 3.42Å; Y256-V260 PolarHBondContact O-N 3.18Å; C257-V260 PolarHBondContact O-N 3.38Å; C257-V260 VanDerWaalsContact O-N 3.08Å; V260-K262 PolarHBondContact O-N 3.16Å; V260-T263 PolarHBondContact O-N 3.43Å; V260-Y266 HydrophobicContact CG1-CD2 3.74Å; V260-Y266 HydrophobicContact CG1-CG 3.84Å; V260-Y266 WeakPolarHBondContact O-CB 3.19Å; V260-L272 HydrophobicContact CG1-CD1 4.19Å |
| 261 | K | 97.2 | Very high | 95 | Very high | 74 Ų | 74 | 66.3 Ų | 66.3 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -11.2 | 176.6 | -75.7 | 176.3 | 178.4 | 176.2 | 0 | 114.5 | C257 D267 L272 C331 | C257-K261 WeakPolarHBondContact O-CB 3.48Å; C257-K261 WeakPolarHBondContact O-CG 3.3Å; C257-K261 PolarHBondContact O-N 3.45Å; K261-D267 VanDerWaalsContact O-CA 3.3Å; K261-D267 WeakPolarHBondContact O-CA 3.43Å; K261-D267 WeakPolarHBondContact O-CB 3.47Å; K261-L272 HydrophobicContact CG-CD2 3.6Å; K261-C331 PolarHBondContact NZ-O 2.88Å |
| 262 | K | 97 | Very high | 94.9 | Very high | 165 Ų | 165 | 63.5 Ų | 63.5 | 72% | 0.717 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | 6.5 | 178.6 | -64.5 | 171 | -173.5 | 168.3 | 0 | 112.9 | D258 A259 V260 | D258-K262 WeakPolarHBondContact O-CD 3.39Å; D258-K262 WeakPolarHBondContact O-CG 3.37Å; A259-K262 PolarHBondContact O-N 2.99Å; V260-K262 PolarHBondContact O-N 3.16Å |
| 263 | T | 95.1 | Very high | 95 | Very high | 75 Ų | 75 | 57.3 Ų | 57.3 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -118.4 | 120.4 | -173.7 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | A259 V260 Y266 D267 | A259-T263 PolarHBondContact O-OG1 3.45Å; V260-T263 PolarHBondContact O-N 3.43Å; T263-Y266 WeakPolarHBondContact O-CA 3.23Å; T263-Y266 WeakPolarHBondContact O-CB 3.49Å; T263-Y266 WeakPolarHBondContact O-CD2 3.41Å; T263-Y266 PolarHBondContact O-N 3.43Å; T263-D267 PolarHBondContact O-N 3.24Å |
| 264 | S | 92 | Very high | 95 | Very high | 89 Ų | 89 | 56.1 Ų | 56.1 | 62% | 0.622 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 138.7 | 170.8 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | D267 | S264-D267 WeakPolarHBondContact CA-OD1 3.33Å; S264-D267 PolarHBondContact N-OD2 3.18Å |
| 265 | P | 91.9 | Very high | 95.2 | Very high | 41 Ų | 41 | 47.1 Ų | 47.1 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -93.8 | 21.3 | 4.6 | 37.9 | -37.3 | 0 | 0 | 0 | 114.1 | R271 | P265-R271 HydrophobicContact CG-CG 4.16Å; P265-R271 WeakPolarHBondContact O-CB 3.24Å |
| 266 | Y | 94.2 | Very high | 95.3 | Very high | 28 Ų | 28 | 44.1 Ų | 44.1 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -96.2 | -8.2 | -174 | -44.9 | -62.2 | 0 | 0 | 0 | 113.9 | P237 V260 T263 S268 R271 I275 Y293 | P237-Y266 HydrophobicContact CG-CD2 4.24Å; P237-Y266 HydrophobicContact CG-CE1 4.04Å; P237-Y266 HydrophobicContact CG-CE2 3.5Å; P237-Y266 VanDerWaalsContact CG-CE2 3.5Å; P237-Y266 WeakPolarHBondContact CG-OH 3.36Å; V260-Y266 HydrophobicContact CG1-CD2 3.74Å; V260-Y266 HydrophobicContact CG1-CG 3.84Å; V260-Y266 WeakPolarHBondContact O-CB 3.19Å; T263-Y266 WeakPolarHBondContact O-CA 3.23Å; T263-Y266 WeakPolarHBondContact O-CB 3.49Å; T263-Y266 WeakPolarHBondContact O-CD2 3.41Å; T263-Y266 PolarHBondContact O-N 3.43Å; Y266-S268 VanDerWaalsContact C-N 3.29Å; Y266-R271 HydrophobicContact CD1-CB 4.4Å; Y266-R271 HydrophobicContact CD1-CG 3.76Å; Y266-R271 HydrophobicContact CE1-CG 3.76Å; Y266-I275 HydrophobicContact CD1-CD1 3.73Å; Y266-I275 HydrophobicContact CE1-CD1 3.33Å; Y266-Y293 PolarHBondContact OH-OH 3.09Å; Y266-Y293 VanDerWaalsContact OH-OH 3.07Å |
| 267 | D | 93.3 | Very high | 95.4 | Very high | 80 Ų | 80 | 42.6 Ų | 42.6 | 43% | 0.428 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -79.2 | -11.6 | 178.7 | 57.3 | -3.9 | 0 | 0 | 0 | 113.6 | K261 T263 S264 | K261-D267 VanDerWaalsContact O-CA 3.3Å; K261-D267 WeakPolarHBondContact O-CA 3.43Å; K261-D267 WeakPolarHBondContact O-CB 3.47Å; T263-D267 PolarHBondContact O-N 3.24Å; S264-D267 WeakPolarHBondContact CA-OD1 3.33Å; S264-D267 PolarHBondContact N-OD2 3.18Å |
| 268 | S | 88.8 | Confident | 95.4 | Very high | 81 Ų | 81 | 42.5 Ų | 42.5 | 57% | 0.566 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -154.8 | 166.7 | -178.8 | 57 | 0 | 0 | 0 | 0 | 111.6 | Y266 | Y266-S268 VanDerWaalsContact C-N 3.29Š|
| 269 | G | 88.8 | Confident | 95.4 | Very high | 63 Ų | 63 | 38.7 Ų | 38.7 | 65% | 0.649 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | -163.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 270 | P | 91.8 | Very high | 95.5 | Very high | 35 Ų | 35 | 37.1 Ų | 37.1 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7.6 | -170.9 | 32.7 | -35.3 | 0 | 0 | 0 | 114.1 | L272 L273 D274 R335 | P270-L272 PolarHBondContact O-N 3.22Å; P270-L273 PolarHBondContact O-N 2.6Å; P270-D274 VanDerWaalsContact O-CG 3.27Å; P270-D274 PolarHBondContact O-N 3.12Å; P270-R335 PolarHBondContact O-NH2 2.9Å; P270-R335 VanDerWaalsContact O-NH2 3.15Å |
| 271 | R | 93.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 2% | 0.019 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.8 | -39.7 | -161.6 | -173.3 | 59 | 63.6 | 96.2 | -8.2 | 114 | H234 P265 Y266 D274 I275 Y293 S295 S303 | H234-R271 PolarHBondContact NE2-NH1 3.39Å; P265-R271 HydrophobicContact CG-CG 4.16Å; P265-R271 WeakPolarHBondContact O-CB 3.24Å; Y266-R271 HydrophobicContact CD1-CB 4.4Å; Y266-R271 HydrophobicContact CD1-CG 3.76Å; Y266-R271 HydrophobicContact CE1-CG 3.76Å; R271-D274 WeakPolarHBondContact O-CB 3.44Å; R271-D274 PolarHBondContact O-N 2.9Å; R271-I275 PolarHBondContact O-N 3.36Å; R271-Y293 VanDerWaalsContact NH1-CE2 3.33Å; R271-Y293 PolarHBondContact NH1-OH 3.49Å; R271-S295 PolarHBondContact NH2-OG 2.89Å; R271-S303 PolarHBondContact NE-O 3Å; R271-S303 PolarHBondContact NH2-O 3.32Å |
| 272 | L | 96.7 | Very high | 95.6 | Very high | 12 Ų | 12 | 33.5 Ų | 33.5 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.7 | -40.6 | 177.4 | -179.1 | 58.7 | 0 | 0 | 0 | 111.6 | W238 V260 K261 P270 D274 I275 I276 I333 | W238-L272 HydrophobicContact CH2-CD1 4.01Å; W238-L272 HydrophobicContact CZ3-CD1 4.22Å; V260-L272 HydrophobicContact CG1-CD1 4.19Å; K261-L272 HydrophobicContact CG-CD2 3.6Å; P270-L272 PolarHBondContact O-N 3.22Å; L272-D274 VanDerWaalsContact C-N 3.3Å; L272-D274 PolarHBondContact O-N 2.86Å; L272-I275 WeakPolarHBondContact O-CB 3.32Å; L272-I275 PolarHBondContact O-N 3.48Å; L272-I276 HydrophobicContact CG-CD1 4.29Å; L272-I276 WeakPolarHBondContact O-CG1 3.34Å; L272-I276 PolarHBondContact O-N 3.11Å; L272-I276 VanDerWaalsContact O-N 3.08Å; L272-I333 HydrophobicContact CD2-CD1 3.84Å; L272-I333 HydrophobicContact CG-CD1 4.18Å |
| 273 | L | 97.3 | Very high | 95.7 | Very high | 21 Ų | 21 | 26.1 Ų | 26.1 | 11% | 0.11 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66 | -35 | 174.3 | -68.4 | 169.9 | 0 | 0 | 0 | 111.3 | P270 I275 I276 D277 I333 R335 V400 | P270-L273 PolarHBondContact O-N 2.6Å; L273-I275 VanDerWaalsContact C-N 3.32Å; L273-I275 PolarHBondContact O-N 3.21Å; L273-I276 PolarHBondContact O-N 3.02Å; L273-I276 VanDerWaalsContact O-N 3.14Å; L273-D277 PolarHBondContact O-N 2.74Å; L273-I333 HydrophobicContact CD2-CB 4.42Å; L273-I333 HydrophobicContact CD2-CD1 3.93Å; L273-I333 HydrophobicContact CD2-CG1 3.97Å; L273-R335 HydrophobicContact CB-CG 4.16Å; L273-R335 HydrophobicContact CD1-CG 4.1Å; L273-R335 HydrophobicContact CD2-CG 4.29Å; L273-R335 HydrophobicContact CG-CG 4.43Å; L273-R335 PolarHBondContact O-NH1 2.73Å; L273-R335 VanDerWaalsContact O-NH1 3.16Å; L273-V400 HydrophobicContact CD1-CB 4.2Å; L273-V400 HydrophobicContact CD1-CG1 3.88Å; L273-V400 HydrophobicContact CD2-CB 4.21Å; L273-V400 HydrophobicContact CD2-CG2 4.24Å |
| 274 | D | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.1 | -39.5 | 173.7 | -67.5 | -17.9 | 0 | 0 | 0 | 111.9 | R74 R161 P270 R271 L272 I276 T278 M304 L305 R335 | R74-D274 IonicContact CZ-OD1 2.73Å; R74-D274 IonicContact CZ-OD2 2.72Å; R74-D274 IonicContact NH1-OD1 2.84Å; R74-D274 IonicContact NH1-OD2 3.19Å; R74-D274 PolarHBondContact NH1-OD2 2.92Å; R74-D274 IonicContact NH2-OD1 2.84Å; R74-D274 PolarHBondContact NH2-OD1 3.42Å; R74-D274 IonicContact NH2-OD2 2.68Å; R74-D274 PolarHBondContact NH2-OD2 2.9Å; R161-D274 IonicContact CZ-OD1 3.63Å; R161-D274 IonicContact NH1-OD1 2.76Å; R161-D274 IonicContact NH2-OD1 3.59Å; P270-D274 VanDerWaalsContact O-CG 3.27Å; P270-D274 PolarHBondContact O-N 3.12Å; R271-D274 WeakPolarHBondContact O-CB 3.44Å; R271-D274 PolarHBondContact O-N 2.9Å; L272-D274 VanDerWaalsContact C-N 3.3Å; L272-D274 PolarHBondContact O-N 2.86Å; D274-I276 VanDerWaalsContact C-N 3.32Å; D274-T278 VanDerWaalsContact O-CB 3.31Å; D274-T278 WeakPolarHBondContact O-CB 2.96Å; D274-T278 PolarHBondContact O-N 2.87Å; D274-T278 PolarHBondContact O-OG1 3.49Å; D274-M304 WeakPolarHBondContact OD2-CA 3.46Å; D274-L305 HydrophobicContact CB-CB 4.01Å; D274-R335 VanDerWaalsContact N-NH1 3.17Å; D274-R335 IonicContact OD1-CZ 3.99Å; D274-R335 IonicContact OD1-NH1 3.53Å; D274-R335 PolarHBondContact OD1-NH1 3.2Å; D274-R335 IonicContact OD1-NH2 2.66Å; D274-R335 PolarHBondContact OD1-NH2 3.18Å |
| 275 | I | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 172.6 | -74.3 | 173.8 | 0 | 0 | 0 | 110.9 | P237 W238 Y266 R271 L272 L273 T278 A279 Y293 L305 P327 | P237-I275 HydrophobicContact CG-CD1 4Å; W238-I275 HydrophobicContact CE3-CG2 3.94Å; W238-I275 HydrophobicContact CZ3-CG2 3.86Å; Y266-I275 HydrophobicContact CD1-CD1 3.73Å; Y266-I275 HydrophobicContact CE1-CD1 3.33Å; R271-I275 PolarHBondContact O-N 3.36Å; L272-I275 WeakPolarHBondContact O-CB 3.32Å; L272-I275 PolarHBondContact O-N 3.48Å; L273-I275 VanDerWaalsContact C-N 3.32Å; L273-I275 PolarHBondContact O-N 3.21Å; I275-T278 CarbonylContact O-C 3.51Å; I275-T278 WeakPolarHBondContact O-CB 3.33Å; I275-T278 PolarHBondContact O-N 2.87Å; I275-A279 WeakPolarHBondContact O-CB 3.42Å; I275-A279 PolarHBondContact O-N 2.92Å; I275-Y293 HydrophobicContact CD1-CE1 4.27Å; I275-L305 HydrophobicContact CG1-CD1 4.11Å; I275-P327 HydrophobicContact CG2-CB 3.93Å; I275-P327 HydrophobicContact CG2-CG 4.08Å |
| 276 | I | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.9 | -44.6 | -178.4 | -68.9 | 165.2 | 0 | 0 | 0 | 111.4 | L272 L273 D274 T278 A279 V280 P327 L328 C331 I333 | L272-I276 HydrophobicContact CG-CD1 4.29Å; L272-I276 WeakPolarHBondContact O-CG1 3.34Å; L272-I276 PolarHBondContact O-N 3.11Å; L272-I276 VanDerWaalsContact O-N 3.08Å; L273-I276 PolarHBondContact O-N 3.02Å; L273-I276 VanDerWaalsContact O-N 3.14Å; D274-I276 VanDerWaalsContact C-N 3.32Å; I276-T278 PolarHBondContact O-N 3Å; I276-A279 WeakPolarHBondContact O-CB 3.37Å; I276-A279 PolarHBondContact O-N 3.48Å; I276-A279 VanDerWaalsContact O-N 3.15Å; I276-V280 WeakPolarHBondContact O-CG2 3.3Å; I276-V280 PolarHBondContact O-N 2.82Å; I276-P327 HydrophobicContact CG1-CB 4.2Å; I276-L328 HydrophobicContact CG2-CB 4.39Å; I276-L328 HydrophobicContact CG2-CD1 3.84Å; I276-C331 HydrophobicContact CD1-CB 4Å; I276-I333 HydrophobicContact CD1-CD1 3.81Å; I276-I333 HydrophobicContact CD1-CG1 3.22Å; I276-I333 WeakPolarHBondContact CD1-O 3.29Å; I276-I333 WeakPolarHBondContact CG2-O 3.23Å |
| 277 | D | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.1 | -40.8 | 172.8 | -72.3 | -5 | 0 | 0 | 0 | 111.1 | F159 R161 L273 V280 F281 R335 T338 | F159-D277 HydrophobicContact CD1-CB 4.46Å; F159-D277 HydrophobicContact CE1-CB 3.77Å; F159-D277 HydrophobicContact CE2-CB 4.36Å; F159-D277 WeakPolarHBondContact CE2-O 3.12Å; F159-D277 HydrophobicContact CZ-CB 3.71Å; R161-D277 IonicContact CZ-OD2 2.86Å; R161-D277 IonicContact NH1-OD2 2.67Å; R161-D277 PolarHBondContact NH1-OD2 2.84Å; R161-D277 IonicContact NH2-OD2 2.73Å; R161-D277 PolarHBondContact NH2-OD2 2.85Å; L273-D277 PolarHBondContact O-N 2.74Å; D277-V280 PolarHBondContact O-N 3.28Å; D277-F281 PolarHBondContact O-N 2.9Å; D277-R335 IonicContact OD1-NH1 2.8Å; D277-R335 WeakPolarHBondContact OD2-CD 3.38Å; D277-R335 IonicContact OD2-CZ 3.73Å; D277-R335 IonicContact OD2-NE 3.19Å; D277-R335 IonicContact OD2-NH1 3.34Å; D277-R335 PolarHBondContact OD2-NH1 3.42Å; D277-T338 PolarHBondContact OD1-OG1 2.85Å; D277-T338 VanDerWaalsContact OD1-OG1 3.13Å |
| 278 | T | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.8 | -37.6 | 177.2 | -58 | 0 | 0 | 0 | 0 | 111.8 | D274 I275 I276 F281 D282 L305 L307 | D274-T278 VanDerWaalsContact O-CB 3.31Å; D274-T278 WeakPolarHBondContact O-CB 2.96Å; D274-T278 PolarHBondContact O-N 2.87Å; D274-T278 PolarHBondContact O-OG1 3.49Å; I275-T278 CarbonylContact O-C 3.51Å; I275-T278 WeakPolarHBondContact O-CB 3.33Å; I275-T278 PolarHBondContact O-N 2.87Å; I276-T278 PolarHBondContact O-N 3Å; T278-F281 WeakPolarHBondContact O-CB 3.28Å; T278-F281 PolarHBondContact O-N 3.46Å; T278-D282 VanDerWaalsContact O-CB 3.29Å; T278-D282 WeakPolarHBondContact O-CB 3.19Å; T278-D282 VanDerWaalsContact O-CG 3.31Å; T278-D282 PolarHBondContact O-N 3.21Å; T278-L305 HydrophobicContact CG2-CD1 4.23Å; T278-L305 HydrophobicContact CG2-CD2 3.88Å; T278-L305 WeakPolarHBondContact OG1-CD2 3.38Å; T278-L307 HydrophobicContact CG2-CD2 3.62Å |
| 279 | A | 98.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 10.2 Ų | 10.2 | 3% | 0.025 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66.1 | -38.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I275 I276 Y283 P327 | I275-A279 WeakPolarHBondContact O-CB 3.42Å; I275-A279 PolarHBondContact O-N 2.92Å; I276-A279 WeakPolarHBondContact O-CB 3.37Å; I276-A279 PolarHBondContact O-N 3.48Å; I276-A279 VanDerWaalsContact O-N 3.15Å; A279-Y283 VanDerWaalsContact O-CB 3.25Å; A279-Y283 WeakPolarHBondContact O-CB 3.32Å; A279-Y283 PolarHBondContact O-N 2.91Å; A279-P327 HydrophobicContact CB-CB 3.98Å; A279-P327 HydrophobicContact CB-CG 3.74Å |
| 280 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62.1 | -48.7 | 171.6 | 170.2 | 0 | 0 | 0 | 0 | 110.3 | I276 D277 Y283 L284 L328 L342 V382 | I276-V280 WeakPolarHBondContact O-CG2 3.3Å; I276-V280 PolarHBondContact O-N 2.82Å; D277-V280 PolarHBondContact O-N 3.28Å; V280-Y283 PolarHBondContact O-N 3.47Å; V280-L284 HydrophobicContact CG1-CD1 4.22Å; V280-L284 VanDerWaalsContact O-CG 3.31Å; V280-L284 WeakPolarHBondContact O-CG 3.48Å; V280-L284 PolarHBondContact O-N 2.86Å; V280-L284 VanDerWaalsContact O-N 3.09Å; V280-L328 HydrophobicContact CG2-CD2 4.19Å; V280-L342 HydrophobicContact CG1-CD1 4.14Å; V280-L342 HydrophobicContact CG1-CD2 4Å; V280-V382 HydrophobicContact CG1-CG1 3.96Å; V280-V382 HydrophobicContact CG1-CG2 4.32Å; V280-V382 HydrophobicContact CG2-CG1 3.93Å |
| 281 | F | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -56.1 | -53.8 | 176.2 | 178.3 | -102.1 | 0 | 0 | 0 | 112.1 | A150 L153 D154 L157 F159 D277 T278 Y283 L284 I285 L307 | A150-F281 HydrophobicContact CB-CE1 4.5Å; A150-F281 HydrophobicContact CB-CZ 3.84Å; A150-F281 WeakPolarHBondContact O-CE2 3.39Å; A150-F281 WeakPolarHBondContact O-CZ 3.27Å; L153-F281 HydrophobicContact CB-CE2 4.05Å; L153-F281 HydrophobicContact CD2-CD2 4Å; L153-F281 HydrophobicContact CD2-CE2 4.01Å; L153-F281 HydrophobicContact CG-CD2 4.19Å; L153-F281 HydrophobicContact CG-CE2 4.05Å; D154-F281 HydrophobicContact CB-CE2 4.05Å; L157-F281 HydrophobicContact CD1-CD2 3.96Å; F159-F281 HydrophobicContact CD2-CB 4.39Å; F159-F281 HydrophobicContact CD2-CD2 4.35Å; F159-F281 HydrophobicContact CE2-CB 3.97Å; D277-F281 PolarHBondContact O-N 2.9Å; T278-F281 WeakPolarHBondContact O-CB 3.28Å; T278-F281 PolarHBondContact O-N 3.46Å; F281-Y283 VanDerWaalsContact C-N 3.29Å; F281-Y283 PolarHBondContact O-N 3.45Å; F281-L284 PolarHBondContact O-N 3.47Å; F281-I285 HydrophobicContact CD1-CD1 3.79Å; F281-I285 HydrophobicContact CE1-CD1 3.41Å; F281-I285 VanDerWaalsContact CE1-CD1 3.41Å; F281-I285 HydrophobicContact CZ-CD1 3.99Å; F281-I285 WeakPolarHBondContact O-CG1 3.08Å; F281-I285 PolarHBondContact O-N 3.3Å; F281-I285 VanDerWaalsContact O-N 3.16Å; F281-L307 HydrophobicContact CD1-CD1 3.92Å; F281-L307 HydrophobicContact CD1-CD2 3.91Å; F281-L307 HydrophobicContact CD1-CG 4.46Å; F281-L307 HydrophobicContact CD2-CD1 4.1Å; F281-L307 HydrophobicContact CE1-CB 4.43Å; F281-L307 HydrophobicContact CE1-CD1 3.91Å; F281-L307 HydrophobicContact CE1-CD2 4.21Å; F281-L307 HydrophobicContact CE1-CG 4.42Å; F281-L307 HydrophobicContact CE2-CD1 4.11Å; F281-L307 HydrophobicContact CG-CD1 3.98Å; F281-L307 HydrophobicContact CG-CD2 4.49Å; F281-L307 HydrophobicContact CZ-CD1 3.99Å |
| 282 | D | 98.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 12.4 Ų | 12.4 | 3% | 0.027 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.3 | -37.6 | -178.9 | -78.5 | -25 | 0 | 0 | 0 | 111.5 | T278 I285 G286 N287 R290 I324 | T278-D282 VanDerWaalsContact O-CB 3.29Å; T278-D282 WeakPolarHBondContact O-CB 3.19Å; T278-D282 VanDerWaalsContact O-CG 3.31Å; T278-D282 PolarHBondContact O-N 3.21Å; D282-I285 WeakPolarHBondContact O-CG1 3.48Å; D282-I285 PolarHBondContact O-N 3.05Å; D282-G286 CarbonylContact O-C 3.58Å; D282-G286 WeakPolarHBondContact O-CA 3.42Å; D282-G286 PolarHBondContact O-N 3.06Å; D282-N287 HydrophobicContact CB-CB 4.02Å; D282-N287 PolarHBondContact O-N 3.07Å; D282-N287 WeakPolarHBondContact OD1-CB 3.48Å; D282-N287 PolarHBondContact OD1-ND2 3.26Å; D282-R290 VanDerWaalsContact CG-NE 3.33Å; D282-R290 IonicContact OD1-CZ 3.94Å; D282-R290 IonicContact OD1-NE 3.53Å; D282-R290 PolarHBondContact OD1-NE 3.47Å; D282-R290 IonicContact OD1-NH2 3.61Å; D282-R290 PolarHBondContact OD1-NH2 2.87Å; D282-R290 WeakPolarHBondContact OD2-CB 3.42Å; D282-R290 VanDerWaalsContact OD2-CD 3.25Å; D282-R290 WeakPolarHBondContact OD2-CD 3.49Å; D282-R290 IonicContact OD2-CZ 3.8Å; D282-R290 IonicContact OD2-NE 2.81Å; D282-R290 PolarHBondContact OD2-NE 3.42Å; D282-R290 IonicContact OD2-NH2 3.97Å; D282-I324 HydrophobicContact CB-CG2 3.58Å |
| 283 | Y | 98.9 | Very high | 98 | Very high | 10 Ų | 10 | 11.8 Ų | 11.8 | 4% | 0.039 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.4 | -44.7 | 177.5 | 179.3 | -102.9 | 0 | 0 | 0 | 111.5 | A279 V280 F281 I285 G286 E321 I324 L325 R378 S381 V382 | A279-Y283 VanDerWaalsContact O-CB 3.25Å; A279-Y283 WeakPolarHBondContact O-CB 3.32Å; A279-Y283 PolarHBondContact O-N 2.91Å; V280-Y283 PolarHBondContact O-N 3.47Å; F281-Y283 VanDerWaalsContact C-N 3.29Å; F281-Y283 PolarHBondContact O-N 3.45Å; Y283-I285 VanDerWaalsContact C-N 3.28Å; Y283-I285 PolarHBondContact O-N 3.21Å; Y283-G286 PolarHBondContact O-N 3.35Å; Y283-G286 VanDerWaalsContact O-N 3.12Å; Y283-E321 WeakPolarHBondContact CD2-O 3.28Å; Y283-I324 HydrophobicContact CD2-CB 4.23Å; Y283-L325 HydrophobicContact CD1-CD1 3.69Å; Y283-L325 HydrophobicContact CD1-CD2 4.1Å; Y283-L325 HydrophobicContact CD1-CG 3.91Å; Y283-L325 HydrophobicContact CD2-CD1 3.94Å; Y283-L325 HydrophobicContact CD2-CD2 4.4Å; Y283-L325 HydrophobicContact CD2-CG 3.63Å; Y283-L325 HydrophobicContact CE1-CD1 3.75Å; Y283-L325 HydrophobicContact CE1-CG 4.4Å; Y283-L325 HydrophobicContact CE2-CD1 3.99Å; Y283-L325 HydrophobicContact CE2-CG 4.14Å; Y283-L325 HydrophobicContact CG-CD1 3.77Å; Y283-L325 HydrophobicContact CG-CD2 3.77Å; Y283-L325 HydrophobicContact CG-CG 3.47Å; Y283-L325 VanDerWaalsContact CG-CG 3.47Å; Y283-R378 HydrophobicContact CD1-CB 3.97Å; Y283-R378 HydrophobicContact CD1-CG 4.44Å; Y283-R378 HydrophobicContact CE1-CB 3.6Å; Y283-R378 HydrophobicContact CE1-CG 3.93Å; Y283-R378 WeakPolarHBondContact CE1-O 3.44Å; Y283-R378 WeakPolarHBondContact O-CD 3.31Å; Y283-S381 WeakPolarHBondContact OH-CB 3.33Å; Y283-S381 PolarHBondContact OH-OG 3.34Å; Y283-S381 VanDerWaalsContact OH-OG 3.12Å; Y283-V382 HydrophobicContact CD1-CG2 3.63Å; Y283-V382 HydrophobicContact CE1-CG2 4.1Å |
| 284 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -58.3 | -42.2 | 178.4 | -69.4 | 172 | 0 | 0 | 0 | 111.5 | L153 L157 V280 F281 L350 R378 L379 V382 | L153-L284 HydrophobicContact CD2-CB 3.96Å; L153-L284 HydrophobicContact CD2-CD1 4.36Å; L157-L284 HydrophobicContact CD1-CD1 3.99Å; L157-L284 HydrophobicContact CD2-CD1 4.25Å; V280-L284 HydrophobicContact CG1-CD1 4.22Å; V280-L284 VanDerWaalsContact O-CG 3.31Å; V280-L284 WeakPolarHBondContact O-CG 3.48Å; V280-L284 PolarHBondContact O-N 2.86Å; V280-L284 VanDerWaalsContact O-N 3.09Å; F281-L284 PolarHBondContact O-N 3.47Å; L284-L350 HydrophobicContact CD1-CD2 4.47Å; L284-L350 HydrophobicContact CD2-CD2 4.34Å; L284-R378 HydrophobicContact CD2-CB 3.96Å; L284-R378 WeakPolarHBondContact O-CD 3.49Å; L284-R378 PolarHBondContact O-NH1 3.2Å; L284-L379 HydrophobicContact CD2-CB 3.97Å; L284-V382 HydrophobicContact CD2-CG2 4.46Å |
| 285 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -85.8 | -12.2 | 179.4 | 71.1 | -174.9 | 0 | 0 | 0 | 113.1 | A150 L153 F281 D282 Y283 N287 N310 S313 F314 | A150-I285 HydrophobicContact CB-CD1 4.46Å; L153-I285 HydrophobicContact CD2-CG2 3.25Å; F281-I285 HydrophobicContact CD1-CD1 3.79Å; F281-I285 HydrophobicContact CE1-CD1 3.41Å; F281-I285 VanDerWaalsContact CE1-CD1 3.41Å; F281-I285 HydrophobicContact CZ-CD1 3.99Å; F281-I285 WeakPolarHBondContact O-CG1 3.08Å; F281-I285 PolarHBondContact O-N 3.3Å; F281-I285 VanDerWaalsContact O-N 3.16Å; D282-I285 WeakPolarHBondContact O-CG1 3.48Å; D282-I285 PolarHBondContact O-N 3.05Å; Y283-I285 VanDerWaalsContact C-N 3.28Å; Y283-I285 PolarHBondContact O-N 3.21Å; I285-N287 HydrophobicContact CD1-CB 3.89Å; I285-N287 HydrophobicContact CG1-CB 3.77Å; I285-N310 HydrophobicContact CD1-CB 4.4Å; I285-S313 WeakPolarHBondContact CD1-OG 3.16Å; I285-S313 WeakPolarHBondContact CG1-OG 3.49Å; I285-S313 WeakPolarHBondContact O-CB 3.47Å; I285-F314 HydrophobicContact CB-CD2 4.2Å; I285-F314 HydrophobicContact CB-CE1 4.33Å; I285-F314 HydrophobicContact CB-CE2 3.63Å; I285-F314 HydrophobicContact CB-CZ 3.72Å; I285-F314 HydrophobicContact CG2-CE1 4.38Å; I285-F314 HydrophobicContact CG2-CE2 3.65Å; I285-F314 HydrophobicContact CG2-CZ 3.49Å; I285-F314 VanDerWaalsContact CG2-CZ 3.49Å; I285-F314 PolarHBondContact O-N 2.93Å |
| 286 | G | 98.6 | Very high | 97.5 | Very high | 19 Ų | 19 | 12.4 Ų | 12.4 | 20% | 0.196 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 38.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D282 Y283 | D282-G286 CarbonylContact O-C 3.58Å; D282-G286 WeakPolarHBondContact O-CA 3.42Å; D282-G286 PolarHBondContact O-N 3.06Å; Y283-G286 PolarHBondContact O-N 3.35Å; Y283-G286 VanDerWaalsContact O-N 3.12Å |
| 287 | N | 98.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | trans | -89.1 | 99.1 | 175.1 | -174.4 | 14.5 | 0 | 0 | 0 | 111.2 | D282 I285 D289 R290 S313 | D282-N287 HydrophobicContact CB-CB 4.02Å; D282-N287 PolarHBondContact O-N 3.07Å; D282-N287 WeakPolarHBondContact OD1-CB 3.48Å; D282-N287 PolarHBondContact OD1-ND2 3.26Å; I285-N287 HydrophobicContact CD1-CB 3.89Å; I285-N287 HydrophobicContact CG1-CB 3.77Å; N287-D289 PolarHBondContact OD1-N 2.91Å; N287-R290 PolarHBondContact ND2-NH2 3.38Å; N287-S313 WeakPolarHBondContact CB-OG 3.43Å | ||
| 288 | A | 97.6 | Very high | 95.7 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 7% | 0.066 | 12% | 0.124 | C | C | . | . | trans | -93.4 | 8.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | P137 R240 E321 I324 | P137-A288 HydrophobicContact CB-CB 3.36Å; R240-A288 PolarHBondContact NE-O 3.34Å; R240-A288 VanDerWaalsContact NE-O 3.08Å; A288-E321 HydrophobicContact CB-CG 4.3Å; A288-I324 HydrophobicContact CB-CD1 4.09Å; A288-I324 HydrophobicContact CB-CG1 4.14Å | ||
| 289 | D | 97.1 | Very high | 94.2 | Very high | 28 Ų | 28 | 25.3 Ų | 25.3 | 15% | 0.15 | 13% | 0.131 | C | C | . | . | trans | -109.3 | 12.4 | -170.2 | -156 | 27.9 | 0 | 0 | 0 | 114.2 | Y242 N287 H291 K312 | Y242-D289 WeakPolarHBondContact CE1-OD1 3.33Å; Y242-D289 PolarHBondContact OH-O 3.27Å; Y242-D289 PolarHBondContact OH-OD1 3.49Å; N287-D289 PolarHBondContact OD1-N 2.91Å; D289-H291 PolarHBondContact O-N 3.15Å; D289-H291 IonicContact OD1-CD2 3.67Å; D289-K312 HydrophobicContact CB-CB 3.87Å; D289-K312 HydrophobicContact CB-CG 4.08Å | ||
| 290 | R | 97.4 | Very high | 92.7 | Very high | 23 Ų | 23 | 35.1 Ų | 35.1 | 9% | 0.087 | 18% | 0.176 | C | C | . | . | trans | -76.1 | 71.8 | 176.8 | -163.3 | 175 | -58.6 | -77.5 | -1.2 | 112.4 | H236 D282 N287 H292 L308 N310 | H236-R290 WeakPolarHBondContact CB-O 3.21Å; D282-R290 VanDerWaalsContact CG-NE 3.33Å; D282-R290 IonicContact OD1-CZ 3.94Å; D282-R290 IonicContact OD1-NE 3.53Å; D282-R290 PolarHBondContact OD1-NE 3.47Å; D282-R290 IonicContact OD1-NH2 3.61Å; D282-R290 PolarHBondContact OD1-NH2 2.87Å; D282-R290 WeakPolarHBondContact OD2-CB 3.42Å; D282-R290 VanDerWaalsContact OD2-CD 3.25Å; D282-R290 WeakPolarHBondContact OD2-CD 3.49Å; D282-R290 IonicContact OD2-CZ 3.8Å; D282-R290 IonicContact OD2-NE 2.81Å; D282-R290 PolarHBondContact OD2-NE 3.42Å; D282-R290 IonicContact OD2-NH2 3.97Å; N287-R290 PolarHBondContact ND2-NH2 3.38Å; R290-H292 VanDerWaalsContact CG-O 3.31Å; R290-H292 WeakPolarHBondContact CG-O 3.42Å; R290-L308 PolarHBondContact NH1-O 3.44Å; R290-L308 VanDerWaalsContact NH1-O 3.09Å; R290-N310 PolarHBondContact NH2-OD1 3.4Å | ||
| 291 | H | 95.5 | Very high | 91.2 | Very high | 63 Ų | 63 | 36.7 Ų | 36.7 | 29% | 0.292 | 19% | 0.192 | S | C | . | . | trans | -80.2 | -17.1 | 178 | 52.9 | 34.2 | 0 | 0 | 0 | 114.9 | H236 Y242 D289 | H236-H291 WeakPolarHBondContact CB-O 3.42Å; H236-H291 PolarHBondContact N-O 3.31Å; Y242-H291 HydrophobicContact CE2-CB 3.67Å; Y242-H291 AromaticContact CE2-CD2 3.89Å; Y242-H291 AromaticContact CZ-CD2 3.69Å; Y242-H291 WeakPolarHBondContact OH-CB 3.35Å; Y242-H291 PolarHBondContact OH-CD2 3.32Å; Y242-H291 VanDerWaalsContact OH-CD2 3.32Å; D289-H291 PolarHBondContact O-N 3.15Å; D289-H291 IonicContact OD1-CD2 3.67Å | ||
| 292 | H | 96.2 | Very high | 90.1 | Very high | 63 Ų | 63 | 38.9 Ų | 38.9 | 29% | 0.292 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 160 | 177.8 | -69.7 | 84.9 | 0 | 0 | 0 | 107.1 | K233 H234 R290 | K233-H292 HydrophobicContact CD-CB 4.49Å; K233-H292 VanDerWaalsContact CE-CB 3.44Å; K233-H292 WeakPolarHBondContact CE-CD2 3.43Å; K233-H292 HydrophobicContact CG-CB 4.22Å; H234-H292 CarbonylContact O-C 3.59Å; H234-H292 WeakPolarHBondContact O-CA 3.46Å; H234-H292 VanDerWaalsContact O-CB 3.28Å; H234-H292 WeakPolarHBondContact O-CB 3.07Å; H234-H292 PolarHBondContact O-CD2 2.87Å; H234-H292 VanDerWaalsContact O-CD2 3.3Å; R290-H292 VanDerWaalsContact CG-O 3.31Å; R290-H292 WeakPolarHBondContact CG-O 3.42Å |
| 293 | Y | 96 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 158.9 | 170 | 68.1 | -95.4 | 0 | 0 | 0 | 109.7 | H234 H236 Y266 R271 I275 L305 | H234-Y293 HydrophobicContact CB-CD1 4.07Å; H234-Y293 HydrophobicContact CB-CD2 3.95Å; H234-Y293 HydrophobicContact CB-CE1 3.58Å; H234-Y293 HydrophobicContact CB-CE2 3.42Å; H234-Y293 VanDerWaalsContact CB-CE2 3.42Å; H234-Y293 HydrophobicContact CB-CG 4.24Å; H234-Y293 WeakPolarHBondContact CB-OH 3.36Å; H234-Y293 AromaticContact CD2-CD2 3.95Å; H234-Y293 AromaticContact CD2-CE2 3.4Å; H234-Y293 WeakPolarHBondContact CD2-CE2 3.45Å; H234-Y293 AromaticContact CG-CE2 3.46Å; H234-Y293 VanDerWaalsContact CG-CE2 3.46Å; H234-Y293 AromaticContact CG-CZ 3.6Å; H234-Y293 PolarHBondContact N-O 2.98Å; H234-Y293 PolarHBondContact O-N 3.43Å; H236-Y293 HydrophobicContact CB-CD1 4.4Å; H236-Y293 AromaticContact CD2-CD1 3.88Å; Y266-Y293 PolarHBondContact OH-OH 3.09Å; Y266-Y293 VanDerWaalsContact OH-OH 3.07Å; R271-Y293 VanDerWaalsContact NH1-CE2 3.33Å; R271-Y293 PolarHBondContact NH1-OH 3.49Å; I275-Y293 HydrophobicContact CD1-CE1 4.27Å; Y293-L305 HydrophobicContact CD1-CD1 4.02Å; Y293-L305 HydrophobicContact CD2-CB 4.42Å; Y293-L305 HydrophobicContact CD2-CD1 3.72Å; Y293-L305 HydrophobicContact CD2-CG 3.63Å; Y293-L305 HydrophobicContact CE2-CD1 4.41Å; Y293-L305 HydrophobicContact CG-CD1 3.5Å; Y293-L305 VanDerWaalsContact CG-CD1 3.5Å; Y293-L305 HydrophobicContact CG-CG 3.76Å |
| 294 | E | 95.3 | Very high | 88.9 | Confident | 32 Ų | 32 | 38.1 Ų | 38.1 | 15% | 0.15 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 149.1 | 179 | -70.3 | 74.7 | -164.6 | 0 | 0 | 110.7 | L231 Q232 I306 L308 | L231-E294 HydrophobicContact CB-CB 4.42Å; L231-E294 HydrophobicContact CB-CG 4.44Å; L231-E294 HydrophobicContact CD1-CG 4.47Å; L231-E294 HydrophobicContact CD2-CB 4.33Å; Q232-E294 CarbonylContact O-C 3.59Å; Q232-E294 VanDerWaalsContact O-CA 3.25Å; Q232-E294 WeakPolarHBondContact O-CA 3.26Å; E294-I306 PolarHBondContact O-N 3.47Å; E294-L308 HydrophobicContact CB-CD1 4.01Å; E294-L308 HydrophobicContact CG-CD1 4.04Å |
| 295 | S | 94.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 168 | 166.7 | 75.5 | 0 | 0 | 0 | 0 | 109 | L231 Q232 H234 R271 M304 | L231-S295 CarbonylContact C-O 3.59Å; L231-S295 WeakPolarHBondContact CA-O 3.35Å; Q232-S295 PolarHBondContact N-O 3.45Å; Q232-S295 PolarHBondContact O-N 2.97Å; H234-S295 PolarHBondContact NE2-OG 2.89Å; R271-S295 PolarHBondContact NH2-OG 2.89Å; S295-M304 WeakPolarHBondContact CB-O 3.48Å |
| 296 | F | 92.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 150.1 | 166.6 | -57.8 | -52.3 | 0 | 0 | 0 | 110.3 | V71 L225 W229 P230 L231 S303 M304 I306 | V71-F296 HydrophobicContact CG1-CE1 4.31Å; V71-F296 HydrophobicContact CG1-CE2 3.91Å; V71-F296 HydrophobicContact CG1-CZ 3.46Å; V71-F296 VanDerWaalsContact CG1-CZ 3.46Å; L225-F296 HydrophobicContact CD1-CE1 4.04Å; L225-F296 HydrophobicContact CD1-CZ 4.38Å; W229-F296 HydrophobicContact CB-CD1 3.59Å; W229-F296 HydrophobicContact CB-CE1 3.53Å; W229-F296 HydrophobicContact CB-CG 4.31Å; W229-F296 HydrophobicContact CB-CZ 4.2Å; W229-F296 HydrophobicContact CD2-CG 4.48Å; W229-F296 HydrophobicContact CE3-CB 4.09Å; W229-F296 HydrophobicContact CE3-CD1 4.36Å; W229-F296 HydrophobicContact CE3-CD2 4.06Å; W229-F296 AromaticContact CE3-CG 3.92Å; W229-F296 HydrophobicContact CE3-CG 3.92Å; W229-F296 HydrophobicContact CG-CD1 4.34Å; W229-F296 HydrophobicContact CG-CE1 4.22Å; W229-F296 HydrophobicContact CG-CZ 4.44Å; P230-F296 WeakPolarHBondContact O-CA 3.22Å; L231-F296 HydrophobicContact CD2-CD1 3.81Å; L231-F296 HydrophobicContact CD2-CE1 3.84Å; F296-S303 WeakPolarHBondContact CB-OG 3.25Å; F296-S303 PolarHBondContact N-OG 3.04Å; F296-M304 HydrophobicContact CE2-CE 4.44Å; F296-I306 HydrophobicContact CD2-CD1 4.16Å; F296-I306 HydrophobicContact CE1-CD1 4.12Å; F296-I306 HydrophobicContact CE1-CG1 4.38Å; F296-I306 HydrophobicContact CE2-CD1 3.62Å; F296-I306 HydrophobicContact CZ-CD1 3.6Å; F296-I306 HydrophobicContact CZ-CG1 4.33Å |
| 297 | Q | 89.9 | Confident | 88.6 | Confident | 82 Ų | 82 | 37.3 Ų | 37.3 | 38% | 0.383 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -75.2 | 157.1 | 172.6 | -66.6 | 174.5 | 14.4 | 0 | 0 | 110.6 | P230 L231 Q232 | P230-Q297 HydrophobicContact CB-CG 4.46Å; P230-Q297 HydrophobicContact CG-CB 4.16Å; P230-Q297 HydrophobicContact CG-CG 4.41Å; P230-Q297 PolarHBondContact O-N 3.16Å; L231-Q297 PolarHBondContact O-NE2 3.32Å; Q232-Q297 HydrophobicContact CB-CG 3.78Å |
| 298 | D | 69.8 | Low | 88.4 | Confident | 159 Ų | 159 | 38.6 Ų | 38.6 | 85% | 0.85 | 21% | 0.205 | S | C | * | . | S | Bend | trans | 59 | 46.4 | 163.4 | -57.9 | -24.9 | 0 | 0 | 0 | 117.4 | ||
| 299 | D | 65.8 | Low | 88.1 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 17% | 0.166 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -126.7 | 30.7 | 171.6 | 73.7 | -1.2 | 0 | 0 | 0 | 114.6 | G301 A302 S303 | D299-G301 PolarHBondContact O-N 3.28Å; D299-G301 PolarHBondContact OD1-N 2.94Å; D299-A302 VanDerWaalsContact O-CB 3.25Å; D299-A302 WeakPolarHBondContact O-CB 3.26Å; D299-A302 PolarHBondContact O-N 2.86Å; D299-A302 PolarHBondContact OD1-N 3.01Å; D299-S303 VanDerWaalsContact OD1-CB 3.26Å; D299-S303 WeakPolarHBondContact OD1-CB 3.4Å; D299-S303 PolarHBondContact OD1-N 3.15Å; D299-S303 WeakPolarHBondContact OD2-CA 3.43Å; D299-S303 WeakPolarHBondContact OD2-CB 3.47Å; D299-S303 PolarHBondContact OD2-N 3.5Å; D299-S303 PolarHBondContact OD2-OG 2.72Å |
| 300 | E | 68.8 | Low | 88.2 | Confident | 208 Ų | 208 | 41.2 Ų | 41.2 | 97% | 0.972 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 23.4 | 176.8 | -56.3 | -176.2 | 175.5 | 0 | 0 | 113.7 | ||
| 301 | G | 66.8 | Low | 88.2 | Confident | 33 Ų | 33 | 40.1 Ų | 40.1 | 34% | 0.34 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 5.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D299 S303 | D299-G301 PolarHBondContact O-N 3.28Å; D299-G301 PolarHBondContact OD1-N 2.94Å; G301-S303 PolarHBondContact O-N 3.41Å |
| 302 | A | 74.8 | Confident | 88.3 | Confident | 46 Ų | 46 | 38.1 Ų | 38.1 | 38% | 0.38 | 20% | 0.204 | S | C | . | . | trans | -70.4 | -19.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R74 D299 M304 | R74-A302 WeakPolarHBondContact CD-O 3.49Å; R74-A302 PolarHBondContact NH1-O 3.42Å; D299-A302 VanDerWaalsContact O-CB 3.25Å; D299-A302 WeakPolarHBondContact O-CB 3.26Å; D299-A302 PolarHBondContact O-N 2.86Å; D299-A302 PolarHBondContact OD1-N 3.01Å; A302-M304 PolarHBondContact O-N 3.42Å | ||
| 303 | S | 83.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -64 | 136.2 | -169.2 | -158 | 0 | 0 | 0 | 0 | 111.3 | R271 F296 D299 G301 | R271-S303 PolarHBondContact NE-O 3Å; R271-S303 PolarHBondContact NH2-O 3.32Å; F296-S303 WeakPolarHBondContact CB-OG 3.25Å; F296-S303 PolarHBondContact N-OG 3.04Å; D299-S303 VanDerWaalsContact OD1-CB 3.26Å; D299-S303 WeakPolarHBondContact OD1-CB 3.4Å; D299-S303 PolarHBondContact OD1-N 3.15Å; D299-S303 WeakPolarHBondContact OD2-CA 3.43Å; D299-S303 WeakPolarHBondContact OD2-CB 3.47Å; D299-S303 PolarHBondContact OD2-N 3.5Å; D299-S303 PolarHBondContact OD2-OG 2.72Å; G301-S303 PolarHBondContact O-N 3.41Å |
| 304 | M | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 157.3 | 171.5 | 73.5 | -178.4 | 175.3 | 0 | 0 | 112 | P73 V76 R161 D274 S295 F296 A302 I306 | P73-M304 PolarHBondContact O-N 3.05Å; P73-M304 VanDerWaalsContact O-N 3.16Å; V76-M304 HydrophobicContact CB-CE 4.49Å; V76-M304 HydrophobicContact CG2-CE 3.56Å; R161-M304 HydrophobicContact CB-CE 4.26Å; R161-M304 HydrophobicContact CB-SD 3.98Å; R161-M304 HydrophobicContact CG-CE 4.4Å; R161-M304 HydrophobicContact CG-CG 4.5Å; R161-M304 HydrophobicContact CG-SD 3.54Å; R161-M304 VanDerWaalsContact CG-SD 3.54Å; D274-M304 WeakPolarHBondContact OD2-CA 3.46Å; S295-M304 WeakPolarHBondContact CB-O 3.48Å; F296-M304 HydrophobicContact CE2-CE 4.44Å; A302-M304 PolarHBondContact O-N 3.42Å; M304-I306 HydrophobicContact CE-CD1 3.48Å; M304-I306 VanDerWaalsContact CE-CD1 3.48Å; M304-I306 HydrophobicContact CG-CD1 3.76Å; M304-I306 PolarHBondContact O-N 3.23Å; M304-I306 HydrophobicContact SD-CD1 4.44Å |
| 305 | L | 94.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 120.5 | 163.7 | -167.5 | 158.8 | 0 | 0 | 0 | 108.9 | R161 D274 I275 T278 Y293 L307 | R161-L305 WeakPolarHBondContact CB-O 3.39Å; R161-L305 VanDerWaalsContact CD-O 3.25Å; R161-L305 WeakPolarHBondContact CD-O 3.41Å; D274-L305 HydrophobicContact CB-CB 4.01Å; I275-L305 HydrophobicContact CG1-CD1 4.11Å; T278-L305 HydrophobicContact CG2-CD1 4.23Å; T278-L305 HydrophobicContact CG2-CD2 3.88Å; T278-L305 WeakPolarHBondContact OG1-CD2 3.38Å; Y293-L305 HydrophobicContact CD1-CD1 4.02Å; Y293-L305 HydrophobicContact CD2-CB 4.42Å; Y293-L305 HydrophobicContact CD2-CD1 3.72Å; Y293-L305 HydrophobicContact CD2-CG 3.63Å; Y293-L305 HydrophobicContact CE2-CD1 4.41Å; Y293-L305 HydrophobicContact CG-CD1 3.5Å; Y293-L305 VanDerWaalsContact CG-CD1 3.5Å; Y293-L305 HydrophobicContact CG-CG 3.76Å; L305-L307 HydrophobicContact CD2-CD2 4.01Å |
| 306 | I | 96.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -83.5 | 127.7 | 176.7 | -47.1 | -59.8 | 0 | 0 | 0 | 109.5 | R161 L225 L231 E294 F296 M304 L308 | R161-I306 VanDerWaalsContact O-CG2 3.31Å; R161-I306 WeakPolarHBondContact O-CG2 3.45Å; L225-I306 HydrophobicContact CD1-CG2 4.08Å; L231-I306 HydrophobicContact CD2-CG1 4.16Å; E294-I306 PolarHBondContact O-N 3.47Å; F296-I306 HydrophobicContact CD2-CD1 4.16Å; F296-I306 HydrophobicContact CE1-CD1 4.12Å; F296-I306 HydrophobicContact CE1-CG1 4.38Å; F296-I306 HydrophobicContact CE2-CD1 3.62Å; F296-I306 HydrophobicContact CZ-CD1 3.6Å; F296-I306 HydrophobicContact CZ-CG1 4.33Å; M304-I306 HydrophobicContact CE-CD1 3.48Å; M304-I306 VanDerWaalsContact CE-CD1 3.48Å; M304-I306 HydrophobicContact CG-CD1 3.76Å; M304-I306 PolarHBondContact O-N 3.23Å; M304-I306 HydrophobicContact SD-CD1 4.44Å; I306-L308 VanDerWaalsContact C-N 3.28Å; I306-L308 HydrophobicContact CB-CG 4.27Å; I306-L308 HydrophobicContact CG2-CD1 4.26Å; I306-L308 HydrophobicContact CG2-CD2 3.83Å; I306-L308 HydrophobicContact CG2-CG 3.7Å; I306-L308 PolarHBondContact O-N 3.32Å |
| 307 | L | 97.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | trans | -82.5 | 72.3 | -178.8 | -65 | 175.3 | 0 | 0 | 0 | 110.9 | D154 R161 A162 T278 F281 L305 N310 | D154-L307 HydrophobicContact CB-CD1 4.41Å; D154-L307 WeakPolarHBondContact OD1-CD1 3.45Å; R161-L307 HydrophobicContact CB-CB 4.4Å; R161-L307 HydrophobicContact CB-CD1 4.02Å; R161-L307 HydrophobicContact CB-CG 3.87Å; R161-L307 PolarHBondContact O-N 3.03Å; A162-L307 HydrophobicContact CB-CB 4.11Å; T278-L307 HydrophobicContact CG2-CD2 3.62Å; F281-L307 HydrophobicContact CD1-CD1 3.92Å; F281-L307 HydrophobicContact CD1-CD2 3.91Å; F281-L307 HydrophobicContact CD1-CG 4.46Å; F281-L307 HydrophobicContact CD2-CD1 4.1Å; F281-L307 HydrophobicContact CE1-CB 4.43Å; F281-L307 HydrophobicContact CE1-CD1 3.91Å; F281-L307 HydrophobicContact CE1-CD2 4.21Å; F281-L307 HydrophobicContact CE1-CG 4.42Å; F281-L307 HydrophobicContact CE2-CD1 4.11Å; F281-L307 HydrophobicContact CG-CD1 3.98Å; F281-L307 HydrophobicContact CG-CD2 4.49Å; F281-L307 HydrophobicContact CZ-CD1 3.99Å; L305-L307 HydrophobicContact CD2-CD2 4.01Å; L307-N310 PolarHBondContact O-ND2 2.91Å | ||
| 308 | L | 95.4 | Very high | 89.5 | Confident | 32 Ų | 32 | 38.5 Ų | 38.5 | 17% | 0.168 | 22% | 0.224 | C | C | . | . | trans | -89.8 | 158.8 | 174 | -59.9 | 178.4 | 0 | 0 | 0 | 112.2 | P163 L231 R290 E294 I306 | P163-L308 HydrophobicContact CG-CD2 3.75Å; L231-L308 HydrophobicContact CD1-CD1 3.53Å; R290-L308 PolarHBondContact NH1-O 3.44Å; R290-L308 VanDerWaalsContact NH1-O 3.09Å; E294-L308 HydrophobicContact CB-CD1 4.01Å; E294-L308 HydrophobicContact CG-CD1 4.04Å; I306-L308 VanDerWaalsContact C-N 3.28Å; I306-L308 HydrophobicContact CB-CG 4.27Å; I306-L308 HydrophobicContact CG2-CD1 4.26Å; I306-L308 HydrophobicContact CG2-CD2 3.83Å; I306-L308 HydrophobicContact CG2-CG 3.7Å; I306-L308 PolarHBondContact O-N 3.32Å | ||
| 309 | D | 91.6 | Very high | 90.7 | Very high | 89 Ų | 89 | 35 Ų | 35 | 48% | 0.476 | 21% | 0.205 | S | C | . | . | trans | 52 | 60.3 | 173.2 | -76.5 | -39.7 | 0 | 0 | 0 | 114 | K123 A311 | K123-D309 IonicContact NZ-OD1 3.01Å; K123-D309 PolarHBondContact NZ-OD1 3.39Å; D309-A311 VanDerWaalsContact C-N 3.32Å | ||
| 310 | N | 98.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.011 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -90.7 | 7.9 | -179 | -49.3 | -65.5 | 0 | 0 | 0 | 112.9 | E147 A150 I285 R290 L307 K312 S313 | E147-N310 PolarHBondContact OE1-N 3.39Å; E147-N310 PolarHBondContact OE2-N 3.36Å; E147-N310 VanDerWaalsContact OE2-N 3.08Å; A150-N310 HydrophobicContact CB-CB 3.44Å; A150-N310 VanDerWaalsContact CB-CB 3.44Å; I285-N310 HydrophobicContact CD1-CB 4.4Å; R290-N310 PolarHBondContact NH2-OD1 3.4Å; L307-N310 PolarHBondContact O-ND2 2.91Å; N310-K312 PolarHBondContact O-N 3.42Å; N310-S313 VanDerWaalsContact O-CB 3.22Å; N310-S313 WeakPolarHBondContact O-CB 3.39Å; N310-S313 PolarHBondContact O-N 3.43Å; N310-S313 PolarHBondContact O-OG 3.25Å |
| 311 | A | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -66.4 | -15.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K123 D142 R143 E147 D309 S313 | K123-A311 HydrophobicContact CD-CB 3.95Å; D142-A311 HydrophobicContact CB-CB 3.48Å; D142-A311 VanDerWaalsContact CB-CB 3.48Å; D142-A311 WeakPolarHBondContact OD2-CB 3.36Å; R143-A311 PolarHBondContact N-O 3.33Å; E147-A311 VanDerWaalsContact CD-N 3.33Å; E147-A311 HydrophobicContact CG-CB 3.77Å; E147-A311 VanDerWaalsContact OE1-CB 3.27Å; E147-A311 WeakPolarHBondContact OE1-CB 3.25Å; E147-A311 PolarHBondContact OE1-N 3.15Å; E147-A311 VanDerWaalsContact OE1-N 3.08Å; D309-A311 VanDerWaalsContact C-N 3.32Å; A311-S313 PolarHBondContact O-N 2.95Å |
| 312 | K | 97.6 | Very high | 95.1 | Very high | 20 Ų | 20 | 33.9 Ų | 33.9 | 9% | 0.087 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -83.6 | 18.2 | 174.4 | -70.2 | -72.1 | -160.7 | 155.6 | 0 | 113.6 | Y138 G140 R143 D289 N310 | Y138-K312 PolarHBondContact O-NZ 3.49Å; G140-K312 PolarHBondContact O-NZ 3.18Å; R143-K312 PolarHBondContact NH2-O 3.36Å; D289-K312 HydrophobicContact CB-CB 3.87Å; D289-K312 HydrophobicContact CB-CG 4.08Å; N310-K312 PolarHBondContact O-N 3.42Å |
| 313 | S | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -104.6 | 172.9 | -179.9 | -42 | 0 | 0 | 0 | 0 | 112.3 | R143 A146 I285 N287 N310 A311 G315 | R143-S313 VanDerWaalsContact CZ-O 3.26Å; R143-S313 PolarHBondContact NE-O 3.06Å; R143-S313 PolarHBondContact NH2-O 3.15Å; A146-S313 WeakPolarHBondContact CB-O 3.12Å; I285-S313 WeakPolarHBondContact CD1-OG 3.16Å; I285-S313 WeakPolarHBondContact CG1-OG 3.49Å; I285-S313 WeakPolarHBondContact O-CB 3.47Å; N287-S313 WeakPolarHBondContact CB-OG 3.43Å; N310-S313 VanDerWaalsContact O-CB 3.22Å; N310-S313 WeakPolarHBondContact O-CB 3.39Å; N310-S313 PolarHBondContact O-N 3.43Å; N310-S313 PolarHBondContact O-OG 3.25Å; A311-S313 PolarHBondContact O-N 2.95Å; S313-G315 PolarHBondContact O-N 3.41Å | ||
| 314 | F | 98.5 | Very high | 96.9 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 50.5 | 41.8 | 177.4 | -57.4 | -78.6 | 0 | 0 | 0 | 112.8 | A146 A149 I285 L367 H371 V375 | A146-F314 HydrophobicContact CB-CB 4.37Å; A146-F314 HydrophobicContact CB-CD2 3.83Å; A149-F314 HydrophobicContact CB-CD2 4.15Å; A149-F314 HydrophobicContact CB-CE2 3.57Å; A149-F314 HydrophobicContact CB-CZ 3.94Å; I285-F314 HydrophobicContact CB-CD2 4.2Å; I285-F314 HydrophobicContact CB-CE1 4.33Å; I285-F314 HydrophobicContact CB-CE2 3.63Å; I285-F314 HydrophobicContact CB-CZ 3.72Å; I285-F314 HydrophobicContact CG2-CE1 4.38Å; I285-F314 HydrophobicContact CG2-CE2 3.65Å; I285-F314 HydrophobicContact CG2-CZ 3.49Å; I285-F314 VanDerWaalsContact CG2-CZ 3.49Å; I285-F314 PolarHBondContact O-N 2.93Å; F314-L367 HydrophobicContact CB-CD2 4.14Å; F314-L367 HydrophobicContact CD1-CD1 3.94Å; F314-L367 HydrophobicContact CD1-CD2 3.89Å; F314-L367 HydrophobicContact CD2-CD2 4.2Å; F314-L367 HydrophobicContact CE1-CD1 3.59Å; F314-L367 HydrophobicContact CE1-CD2 4.32Å; F314-L367 HydrophobicContact CG-CD2 3.82Å; F314-L367 HydrophobicContact CZ-CD1 3.94Å; F314-H371 HydrophobicContact CD1-CB 4.28Å; F314-H371 PolarHBondContact O-CE1 3.09Å; F314-H371 VanDerWaalsContact O-CE1 3.23Å; F314-H371 PolarHBondContact O-NE2 3.23Å; F314-V375 HydrophobicContact CE1-CG2 3.79Å |
| 315 | G | 98.2 | Very high | 97.3 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 9% | 0.093 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -85.7 | -35.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V133 S313 | V133-G315 PolarHBondContact N-O 3.14Å; S313-G315 PolarHBondContact O-N 3.41Å |
| 316 | N | 98.4 | Very high | 97.5 | Very high | 39 Ų | 39 | 33.7 Ų | 33.7 | 21% | 0.209 | 18% | 0.18 | C | C | . | . | trans | -141.8 | 117.9 | -177.4 | -167.7 | -34.4 | 0 | 0 | 0 | 109.9 | V132 V133 S318 L319 R378 | V132-N316 HydrophobicContact CG1-CB 4.17Å; V132-N316 WeakPolarHBondContact CG1-ND2 3.28Å; V133-N316 PolarHBondContact O-ND2 3.3Å; N316-S318 VanDerWaalsContact C-N 3.3Å; N316-S318 WeakPolarHBondContact OD1-CA 3.47Å; N316-S318 PolarHBondContact OD1-N 3.21Å; N316-L319 HydrophobicContact CB-CB 4.19Å; N316-L319 PolarHBondContact OD1-N 3.32Å; N316-R378 PolarHBondContact O-NH2 2.61Å | ||
| 317 | P | 98.1 | Very high | 97.6 | Very high | 22 Ų | 22 | 33.8 Ų | 33.8 | 14% | 0.143 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -79.9 | -11.7 | 178.5 | 31.5 | -32.9 | 0 | 0 | 0 | 113.2 | P370 H371 A374 | P317-P370 HydrophobicContact CB-CB 3.83Å; P317-P370 HydrophobicContact CG-CB 3.93Å; P317-H371 VanDerWaalsContact CD-CE1 3.48Å; P317-H371 WeakPolarHBondContact CD-CE1 3.38Å; P317-A374 HydrophobicContact CB-CB 4.3Å; P317-A374 WeakPolarHBondContact O-CB 3.48Å |
| 318 | S | 97.5 | Very high | 97.6 | Very high | 114 Ų | 114 | 33.8 Ų | 33.8 | 80% | 0.797 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -102.9 | 0.9 | -176.1 | -56.5 | 0 | 0 | 0 | 0 | 113.5 | N316 | N316-S318 VanDerWaalsContact C-N 3.3Å; N316-S318 WeakPolarHBondContact OD1-CA 3.47Å; N316-S318 PolarHBondContact OD1-N 3.21Å |
| 319 | L | 96.4 | Very high | 97.8 | Very high | 84 Ų | 84 | 35.1 Ų | 35.1 | 44% | 0.44 | 18% | 0.184 | S | C | . | . | trans | -122.1 | 126 | 179.4 | -178 | 67.1 | 0 | 0 | 0 | 110.4 | N316 R378 | N316-L319 HydrophobicContact CB-CB 4.19Å; N316-L319 PolarHBondContact OD1-N 3.32Å; L319-R378 PolarHBondContact O-NH2 3.16Å | ||
| 320 | D | 97.2 | Very high | 98.1 | Very high | 63 Ų | 63 | 32.5 Ų | 32.5 | 34% | 0.337 | 17% | 0.169 | S | C | . | . | trans | -109.4 | 100.5 | 173.8 | -66.3 | -25 | 0 | 0 | 0 | 109.4 | R322 R378 | D320-R322 PolarHBondContact O-N 2.94Å; D320-R378 WeakPolarHBondContact OD1-CG 3.47Å; D320-R378 IonicContact OD1-CZ 3.21Å; D320-R378 IonicContact OD1-NE 3.79Å; D320-R378 PolarHBondContact OD1-NE 3.2Å; D320-R378 IonicContact OD1-NH2 2.87Å | ||
| 321 | E | 97.7 | Very high | 98.1 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 22% | 0.224 | 17% | 0.17 | C | C | . | . | trans | -77.2 | 85.4 | -175.4 | -179.3 | 51 | -106.5 | 0 | 0 | 111.1 | P137 Y283 A288 S323 I324 | P137-E321 HydrophobicContact CB-CG 4.2Å; P137-E321 HydrophobicContact CG-CG 4.33Å; P137-E321 VanDerWaalsContact CG-OE2 3.25Å; P137-E321 WeakPolarHBondContact CG-OE2 3.33Å; Y283-E321 WeakPolarHBondContact CD2-O 3.28Å; A288-E321 HydrophobicContact CB-CG 4.3Å; E321-S323 VanDerWaalsContact CD-OG 3.24Å; E321-S323 PolarHBondContact O-N 3.5Å; E321-S323 VanDerWaalsContact OE1-CB 3.3Å; E321-S323 WeakPolarHBondContact OE1-CB 3.31Å; E321-S323 PolarHBondContact OE1-N 2.89Å; E321-S323 VanDerWaalsContact OE1-N 3.17Å; E321-S323 PolarHBondContact OE1-OG 3.29Å; E321-I324 HydrophobicContact CB-CD1 3.81Å; E321-I324 HydrophobicContact CB-CG1 4.21Å; E321-I324 HydrophobicContact CG-CD1 4.04Å; E321-I324 HydrophobicContact CG-CG1 3.93Å; E321-I324 WeakPolarHBondContact O-CB 3.41Å; E321-I324 WeakPolarHBondContact O-CG1 3.3Å; E321-I324 PolarHBondContact O-N 3.06Å | ||
| 322 | R | 97.6 | Very high | 98.1 | Very high | 139 Ų | 139 | 33 Ų | 33 | 53% | 0.525 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -52.4 | -31.8 | -177.3 | -175.9 | 177 | -179.1 | -90.6 | -1.7 | 113.3 | D320 I324 L325 | D320-R322 PolarHBondContact O-N 2.94Å; R322-I324 PolarHBondContact O-N 2.88Å; R322-I324 VanDerWaalsContact O-N 3.15Å; R322-L325 PolarHBondContact O-N 2.84Å |
| 323 | S | 97.9 | Very high | 98.2 | Very high | 24 Ų | 24 | 33.2 Ų | 33.2 | 17% | 0.168 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -64.3 | -18 | -178.2 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | R240 E321 L325 A326 | R240-S323 PolarHBondContact NH1-OG 2.9Å; R240-S323 PolarHBondContact NH2-OG 2.88Å; E321-S323 VanDerWaalsContact CD-OG 3.24Å; E321-S323 PolarHBondContact O-N 3.5Å; E321-S323 VanDerWaalsContact OE1-CB 3.3Å; E321-S323 WeakPolarHBondContact OE1-CB 3.31Å; E321-S323 PolarHBondContact OE1-N 2.89Å; E321-S323 VanDerWaalsContact OE1-N 3.17Å; E321-S323 PolarHBondContact OE1-OG 3.29Å; S323-L325 PolarHBondContact O-N 2.87Å; S323-A326 VanDerWaalsContact O-CB 3.23Å; S323-A326 WeakPolarHBondContact O-CB 3.49Å; S323-A326 PolarHBondContact O-N 3.12Å |
| 324 | I | 98.8 | Very high | 98.2 | Very high | 16 Ų | 16 | 33.2 Ų | 33.2 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -63.3 | -33.1 | 171.7 | -59.7 | 165 | 0 | 0 | 0 | 111.1 | D282 Y283 A288 E321 R322 A326 P327 | D282-I324 HydrophobicContact CB-CG2 3.58Å; Y283-I324 HydrophobicContact CD2-CB 4.23Å; A288-I324 HydrophobicContact CB-CD1 4.09Å; A288-I324 HydrophobicContact CB-CG1 4.14Å; E321-I324 HydrophobicContact CB-CD1 3.81Å; E321-I324 HydrophobicContact CB-CG1 4.21Å; E321-I324 HydrophobicContact CG-CD1 4.04Å; E321-I324 HydrophobicContact CG-CG1 3.93Å; E321-I324 WeakPolarHBondContact O-CB 3.41Å; E321-I324 WeakPolarHBondContact O-CG1 3.3Å; E321-I324 PolarHBondContact O-N 3.06Å; R322-I324 PolarHBondContact O-N 2.88Å; R322-I324 VanDerWaalsContact O-N 3.15Å; I324-A326 PolarHBondContact O-N 2.93Å; I324-P327 VanDerWaalsContact O-CD 3.3Å; I324-P327 WeakPolarHBondContact O-CD 3.43Å |
| 325 | L | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -78.6 | 6.7 | 177.5 | -70.6 | 179.6 | 0 | 0 | 0 | 114 | Y283 R322 S323 P327 L328 Y329 V382 | Y283-L325 HydrophobicContact CD1-CD1 3.69Å; Y283-L325 HydrophobicContact CD1-CD2 4.1Å; Y283-L325 HydrophobicContact CD1-CG 3.91Å; Y283-L325 HydrophobicContact CD2-CD1 3.94Å; Y283-L325 HydrophobicContact CD2-CD2 4.4Å; Y283-L325 HydrophobicContact CD2-CG 3.63Å; Y283-L325 HydrophobicContact CE1-CD1 3.75Å; Y283-L325 HydrophobicContact CE1-CG 4.4Å; Y283-L325 HydrophobicContact CE2-CD1 3.99Å; Y283-L325 HydrophobicContact CE2-CG 4.14Å; Y283-L325 HydrophobicContact CG-CD1 3.77Å; Y283-L325 HydrophobicContact CG-CD2 3.77Å; Y283-L325 HydrophobicContact CG-CG 3.47Å; Y283-L325 VanDerWaalsContact CG-CG 3.47Å; R322-L325 PolarHBondContact O-N 2.84Å; S323-L325 PolarHBondContact O-N 2.87Å; L325-P327 VanDerWaalsContact C-CD 3.45Å; L325-P327 VanDerWaalsContact C-N 3.34Å; L325-L328 HydrophobicContact CD2-CB 4.5Å; L325-L328 HydrophobicContact CD2-CD2 4.18Å; L325-L328 WeakPolarHBondContact O-CA 3.38Å; L325-L328 WeakPolarHBondContact O-CB 3.2Å; L325-L328 PolarHBondContact O-N 3.29Å; L325-Y329 HydrophobicContact CB-CD1 4.05Å; L325-Y329 HydrophobicContact CB-CE1 4.48Å; L325-Y329 WeakPolarHBondContact O-CD1 3.42Å; L325-Y329 PolarHBondContact O-N 2.9Å; L325-V382 HydrophobicContact CD1-CG2 4.18Å; L325-V382 HydrophobicContact CD2-CG2 4.15Å |
| 326 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -50.6 | -43.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | W250 S323 I324 L328 Y329 Q330 | W250-A326 HydrophobicContact CE3-CB 3.83Å; W250-A326 HydrophobicContact CZ3-CB 3.94Å; S323-A326 VanDerWaalsContact O-CB 3.23Å; S323-A326 WeakPolarHBondContact O-CB 3.49Å; S323-A326 PolarHBondContact O-N 3.12Å; I324-A326 PolarHBondContact O-N 2.93Å; A326-L328 VanDerWaalsContact C-N 3.29Å; A326-L328 PolarHBondContact O-N 3.11Å; A326-Y329 HydrophobicContact CB-CE1 3.94Å; A326-Y329 HydrophobicContact CB-CE2 4.33Å; A326-Y329 WeakPolarHBondContact CB-OH 3.32Å; A326-Y329 VanDerWaalsContact N-CE1 3.3Å; A326-Q330 WeakPolarHBondContact O-CB 3.39Å; A326-Q330 VanDerWaalsContact O-CG 3.27Å; A326-Q330 WeakPolarHBondContact O-CG 3.25Å; A326-Q330 PolarHBondContact O-N 3.01Å |
| 327 | P | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.013 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.3 | -42.2 | 174.1 | -23.7 | 34.3 | 0 | 0 | 0 | 112.6 | W238 I275 I276 A279 I324 L325 C331 | W238-P327 HydrophobicContact CB-CG 4.18Å; W238-P327 HydrophobicContact CD2-CB 4.09Å; W238-P327 HydrophobicContact CD2-CG 3.6Å; W238-P327 HydrophobicContact CE3-CB 4.11Å; W238-P327 HydrophobicContact CE3-CG 3.8Å; W238-P327 HydrophobicContact CG-CG 3.75Å; W238-P327 HydrophobicContact CH2-CB 4.39Å; W238-P327 HydrophobicContact CZ2-CB 4.35Å; W238-P327 HydrophobicContact CZ3-CB 4.27Å; W238-P327 HydrophobicContact CZ3-CG 4.45Å; I275-P327 HydrophobicContact CG2-CB 3.93Å; I275-P327 HydrophobicContact CG2-CG 4.08Å; I276-P327 HydrophobicContact CG1-CB 4.2Å; A279-P327 HydrophobicContact CB-CB 3.98Å; A279-P327 HydrophobicContact CB-CG 3.74Å; I324-P327 VanDerWaalsContact O-CD 3.3Å; I324-P327 WeakPolarHBondContact O-CD 3.43Å; L325-P327 VanDerWaalsContact C-CD 3.45Å; L325-P327 VanDerWaalsContact C-N 3.34Å; P327-C331 WeakPolarHBondContact O-CB 3.42Å; P327-C331 PolarHBondContact O-N 2.81Å; P327-C331 PolarHBondContact O-SG 2.94Å |
| 328 | L | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.1 | -53.1 | -179.1 | 178.6 | 62.5 | 0 | 0 | 0 | 111.8 | I276 V280 L325 A326 Q330 C332 I334 V382 T385 V386 | I276-L328 HydrophobicContact CG2-CB 4.39Å; I276-L328 HydrophobicContact CG2-CD1 3.84Å; V280-L328 HydrophobicContact CG2-CD2 4.19Å; L325-L328 HydrophobicContact CD2-CB 4.5Å; L325-L328 HydrophobicContact CD2-CD2 4.18Å; L325-L328 WeakPolarHBondContact O-CA 3.38Å; L325-L328 WeakPolarHBondContact O-CB 3.2Å; L325-L328 PolarHBondContact O-N 3.29Å; A326-L328 VanDerWaalsContact C-N 3.29Å; A326-L328 PolarHBondContact O-N 3.11Å; L328-Q330 VanDerWaalsContact C-N 3.35Å; L328-Q330 PolarHBondContact O-N 3.12Å; L328-C332 WeakPolarHBondContact O-CA 3.23Å; L328-C332 PolarHBondContact O-N 3.41Å; L328-I334 HydrophobicContact CD1-CB 4.25Å; L328-I334 HydrophobicContact CD1-CD1 4.49Å; L328-V382 HydrophobicContact CD2-CG1 4.2Å; L328-T385 HydrophobicContact CD2-CG2 3.86Å; L328-T385 HydrophobicContact CG-CG2 3.97Å; L328-V386 HydrophobicContact CD1-CG2 4.17Å; L328-V386 HydrophobicContact CD2-CG2 4.02Å |
| 329 | Y | 98.4 | Very high | 97.8 | Very high | 60 Ų | 60 | 29.8 Ų | 29.8 | 24% | 0.235 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -76.1 | -20.3 | -174.1 | 69.5 | -114.5 | 0 | 0 | 0 | 113.7 | L325 A326 | L325-Y329 HydrophobicContact CB-CD1 4.05Å; L325-Y329 HydrophobicContact CB-CE1 4.48Å; L325-Y329 WeakPolarHBondContact O-CD1 3.42Å; L325-Y329 PolarHBondContact O-N 2.9Å; A326-Y329 HydrophobicContact CB-CE1 3.94Å; A326-Y329 HydrophobicContact CB-CE2 4.33Å; A326-Y329 WeakPolarHBondContact CB-OH 3.32Å; A326-Y329 VanDerWaalsContact N-CE1 3.3Å |
| 330 | Q | 98.6 | Very high | 97.8 | Very high | 34 Ų | 34 | 27.1 Ų | 27.1 | 16% | 0.159 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -87.2 | -38.8 | 174.3 | -66.6 | -179.3 | -16.3 | 0 | 0 | 112.1 | W250 C257 A326 L328 | W250-Q330 PolarHBondContact O-NE2 2.95Å; C257-Q330 HydrophobicContact CB-CB 3.89Å; A326-Q330 WeakPolarHBondContact O-CB 3.39Å; A326-Q330 VanDerWaalsContact O-CG 3.27Å; A326-Q330 WeakPolarHBondContact O-CG 3.25Å; A326-Q330 PolarHBondContact O-N 3.01Å; L328-Q330 VanDerWaalsContact C-N 3.35Å; L328-Q330 PolarHBondContact O-N 3.12Å |
| 331 | C | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 3% | 0.027 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -84.3 | -26.4 | -177.8 | -58.6 | 0 | 0 | 0 | 0 | 113 | C257 K261 I276 P327 I333 | C257-C331 HydrophobicContact CB-CB 4.06Å; C257-C331 WeakPolarHBondContact CB-SG 3.05Å; C257-C331 WeakPolarHBondContact SG-CA 3.45Å; C257-C331 WeakPolarHBondContact SG-CB 3.31Å; C257-C331 CovalentContact SG-SG 2.02Å; C257-C331 PolarHBondContact SG-SG 3.02Å; K261-C331 PolarHBondContact NZ-O 2.88Å; I276-C331 HydrophobicContact CD1-CB 4Å; P327-C331 WeakPolarHBondContact O-CB 3.42Å; P327-C331 PolarHBondContact O-N 2.81Å; P327-C331 PolarHBondContact O-SG 2.94Å; C331-I333 VanDerWaalsContact C-N 3.26Å; C331-I333 HydrophobicContact CB-CG1 4.19Å; C331-I333 PolarHBondContact O-N 3.01Å |
| 332 | C | 98.4 | Very high | 97.9 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 7% | 0.068 | 11% | 0.109 | C | C | . | . | trans | 45 | 48.6 | -176 | -82 | 0 | 0 | 0 | 0 | 113.2 | L328 C389 F393 V398 | L328-C332 WeakPolarHBondContact O-CA 3.23Å; L328-C332 PolarHBondContact O-N 3.41Å; C332-C389 WeakPolarHBondContact CA-SG 3.01Å; C332-C389 HydrophobicContact CB-CB 3.57Å; C332-C389 WeakPolarHBondContact CB-SG 3.5Å; C332-C389 WeakPolarHBondContact SG-CB 3.2Å; C332-C389 CovalentContact SG-SG 2.05Å; C332-C389 PolarHBondContact SG-SG 2.85Å; C332-F393 HydrophobicContact CB-CD2 3.73Å; C332-F393 HydrophobicContact CB-CE2 3.89Å; C332-F393 VanDerWaalsContact SG-CE2 3.55Å; C332-V398 WeakPolarHBondContact O-CA 3.3Å; C332-V398 WeakPolarHBondContact O-CG2 3.16Å | ||
| 333 | I | 98.3 | Very high | 97.9 | Very high | 23 Ų | 23 | 18.7 Ų | 18.7 | 12% | 0.118 | 9% | 0.094 | C | C | . | . | trans | -134.2 | 151.7 | 169.6 | 63.7 | -178.7 | 0 | 0 | 0 | 108.8 | L272 L273 I276 C331 V398 V400 | L272-I333 HydrophobicContact CD2-CD1 3.84Å; L272-I333 HydrophobicContact CG-CD1 4.18Å; L273-I333 HydrophobicContact CD2-CB 4.42Å; L273-I333 HydrophobicContact CD2-CD1 3.93Å; L273-I333 HydrophobicContact CD2-CG1 3.97Å; I276-I333 HydrophobicContact CD1-CD1 3.81Å; I276-I333 HydrophobicContact CD1-CG1 3.22Å; I276-I333 WeakPolarHBondContact CD1-O 3.29Å; I276-I333 WeakPolarHBondContact CG2-O 3.23Å; C331-I333 VanDerWaalsContact C-N 3.26Å; C331-I333 HydrophobicContact CB-CG1 4.19Å; C331-I333 PolarHBondContact O-N 3.01Å; I333-V398 CarbonylContact C-O 3.41Å; I333-V398 VanDerWaalsContact CA-O 3.23Å; I333-V398 WeakPolarHBondContact CA-O 3.21Å; I333-V400 HydrophobicContact CB-CG2 3.93Å; I333-V400 HydrophobicContact CG2-CG2 4.21Å | ||
| 334 | I | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 149.8 | 174.3 | -171.1 | 169.9 | 0 | 0 | 0 | 109 | L328 T338 W339 L342 V386 V398 L399 V400 | L328-I334 HydrophobicContact CD1-CB 4.25Å; L328-I334 HydrophobicContact CD1-CD1 4.49Å; I334-T338 HydrophobicContact CD1-CG2 4.02Å; I334-T338 HydrophobicContact CG1-CG2 4.21Å; I334-W339 HydrophobicContact CG2-CB 4.38Å; I334-L342 HydrophobicContact CD1-CD1 4.07Å; I334-V386 HydrophobicContact CD1-CG2 3.88Å; I334-V386 HydrophobicContact CG2-CG1 3.96Å; I334-V386 HydrophobicContact CG2-CG2 4.32Å; I334-V398 HydrophobicContact CG2-CG1 4.4Å; I334-V398 PolarHBondContact N-O 2.99Å; I334-L399 HydrophobicContact CG2-CD2 3.57Å; I334-V400 PolarHBondContact O-N 3.5Å |
| 335 | R | 97.5 | Very high | 97.9 | Very high | 12 Ų | 12 | 19.4 Ų | 19.4 | 5% | 0.045 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 140.6 | 174.2 | -72.3 | -179.2 | 168.5 | 107.2 | 1.7 | 111.6 | P270 L273 D274 D277 S337 T338 W339 V400 D402 | P270-R335 PolarHBondContact O-NH2 2.9Å; P270-R335 VanDerWaalsContact O-NH2 3.15Å; L273-R335 HydrophobicContact CB-CG 4.16Å; L273-R335 HydrophobicContact CD1-CG 4.1Å; L273-R335 HydrophobicContact CD2-CG 4.29Å; L273-R335 HydrophobicContact CG-CG 4.43Å; L273-R335 PolarHBondContact O-NH1 2.73Å; L273-R335 VanDerWaalsContact O-NH1 3.16Å; D274-R335 VanDerWaalsContact N-NH1 3.17Å; D274-R335 IonicContact OD1-CZ 3.99Å; D274-R335 IonicContact OD1-NH1 3.53Å; D274-R335 PolarHBondContact OD1-NH1 3.2Å; D274-R335 IonicContact OD1-NH2 2.66Å; D274-R335 PolarHBondContact OD1-NH2 3.18Å; D277-R335 IonicContact OD1-NH1 2.8Å; D277-R335 WeakPolarHBondContact OD2-CD 3.38Å; D277-R335 IonicContact OD2-CZ 3.73Å; D277-R335 IonicContact OD2-NE 3.19Å; D277-R335 IonicContact OD2-NH1 3.34Å; D277-R335 PolarHBondContact OD2-NH1 3.42Å; R335-S337 VanDerWaalsContact C-N 3.29Å; R335-S337 PolarHBondContact O-N 2.94Å; R335-T338 PolarHBondContact O-N 2.96Å; R335-W339 WeakPolarHBondContact O-CB 3.33Å; R335-W339 PolarHBondContact O-N 3.17Å; R335-V400 WeakPolarHBondContact CA-O 3.49Å; R335-D402 HydrophobicContact CB-CB 4.4Å; R335-D402 WeakPolarHBondContact CD-OD2 3.41Å; R335-D402 HydrophobicContact CG-CB 3.96Å; R335-D402 IonicContact NE-OD2 3.75Å |
| 336 | V | 96.1 | Very high | 97.8 | Very high | 18 Ų | 18 | 23.1 Ų | 23.1 | 11% | 0.109 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.8 | -43.3 | 173.1 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | T338 W339 N340 L399 V400 | V336-T338 VanDerWaalsContact C-N 3.3Å; V336-T338 PolarHBondContact O-N 2.97Å; V336-W339 PolarHBondContact O-N 3.49Å; V336-N340 WeakPolarHBondContact O-CB 3.36Å; V336-N340 VanDerWaalsContact O-CG 3.3Å; V336-N340 PolarHBondContact O-N 3.33Å; V336-L399 HydrophobicContact CG2-CB 3.95Å; V336-V400 PolarHBondContact N-O 2.94Å; V336-V400 VanDerWaalsContact N-O 3.07Å |
| 337 | S | 94.6 | Very high | 97.6 | Very high | 33 Ų | 33 | 29.8 Ų | 29.8 | 23% | 0.231 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.8 | -43.7 | 176.7 | 64.2 | 0 | 0 | 0 | 0 | 112.6 | R335 R341 D402 | R335-S337 VanDerWaalsContact C-N 3.29Å; R335-S337 PolarHBondContact O-N 2.94Å; S337-R341 WeakPolarHBondContact O-CB 3.44Å; S337-R341 PolarHBondContact O-N 2.94Å; S337-D402 WeakPolarHBondContact CB-OD2 2.87Å; S337-D402 PolarHBondContact N-OD1 3.03Å; S337-D402 PolarHBondContact OG-OD1 3.39Å; S337-D402 PolarHBondContact OG-OD2 2.99Å |
| 338 | T | 97.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.6 | -45.7 | 179.3 | -62.1 | 0 | 0 | 0 | 0 | 111.1 | F159 D277 I334 R335 V336 N340 R341 L342 | F159-T338 HydrophobicContact CE1-CG2 3.95Å; F159-T338 HydrophobicContact CZ-CG2 3.97Å; D277-T338 PolarHBondContact OD1-OG1 2.85Å; D277-T338 VanDerWaalsContact OD1-OG1 3.13Å; I334-T338 HydrophobicContact CD1-CG2 4.02Å; I334-T338 HydrophobicContact CG1-CG2 4.21Å; R335-T338 PolarHBondContact O-N 2.96Å; V336-T338 VanDerWaalsContact C-N 3.3Å; V336-T338 PolarHBondContact O-N 2.97Å; T338-N340 VanDerWaalsContact C-N 3.33Å; T338-N340 PolarHBondContact O-N 2.96Å; T338-R341 PolarHBondContact O-N 2.9Å; T338-L342 HydrophobicContact CG2-CD1 3.97Å; T338-L342 HydrophobicContact CG2-CG 4.33Å; T338-L342 VanDerWaalsContact O-CG 3.22Å; T338-L342 WeakPolarHBondContact O-CG 3.38Å; T338-L342 PolarHBondContact O-N 3.23Å |
| 339 | W | 97.9 | Very high | 97.5 | Very high | 48 Ų | 48 | 33 Ų | 33 | 18% | 0.182 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.8 | -45.6 | 176 | 172.4 | -112.5 | 0 | 0 | 0 | 112.5 | I334 R335 V336 L342 N343 L383 V386 L399 | I334-W339 HydrophobicContact CG2-CB 4.38Å; R335-W339 WeakPolarHBondContact O-CB 3.33Å; R335-W339 PolarHBondContact O-N 3.17Å; V336-W339 PolarHBondContact O-N 3.49Å; W339-L342 PolarHBondContact O-N 2.92Å; W339-N343 VanDerWaalsContact CD2-ND2 3.28Å; W339-N343 WeakPolarHBondContact CZ2-ND2 3.32Å; W339-N343 PolarHBondContact O-N 3.26Å; W339-N343 VanDerWaalsContact O-N 3.11Å; W339-N343 PolarHBondContact O-ND2 3.24Å; W339-L383 HydrophobicContact CE3-CD2 4.04Å; W339-L383 HydrophobicContact CH2-CD2 3.99Å; W339-L383 HydrophobicContact CZ3-CB 4.48Å; W339-L383 HydrophobicContact CZ3-CD2 3.43Å; W339-L383 VanDerWaalsContact CZ3-CD2 3.43Å; W339-V386 HydrophobicContact CD2-CG1 4.12Å; W339-V386 HydrophobicContact CE3-CB 3.86Å; W339-V386 HydrophobicContact CE3-CG1 3.51Å; W339-V386 HydrophobicContact CE3-CG2 4.02Å; W339-V386 HydrophobicContact CH2-CB 4.23Å; W339-V386 HydrophobicContact CH2-CG1 4.09Å; W339-V386 HydrophobicContact CZ3-CB 3.48Å; W339-V386 VanDerWaalsContact CZ3-CB 3.48Å; W339-V386 HydrophobicContact CZ3-CG1 3.5Å; W339-V386 VanDerWaalsContact CZ3-CG1 3.5Å; W339-V386 HydrophobicContact CZ3-CG2 3.98Å; W339-L399 HydrophobicContact CB-CD2 4.02Å; W339-L399 HydrophobicContact CD2-CD2 4.33Å; W339-L399 HydrophobicContact CG-CD1 4.46Å; W339-L399 HydrophobicContact CG-CD2 3.83Å |
| 340 | N | 96.5 | Very high | 97.5 | Very high | 29 Ų | 29 | 30.1 Ų | 30.1 | 16% | 0.155 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.6 | -44.5 | 179 | -70.7 | -11.5 | 0 | 0 | 0 | 111.1 | D37 V336 T338 L342 N343 Y344 | D37-N340 PolarHBondContact OD2-ND2 3.12Å; V336-N340 WeakPolarHBondContact O-CB 3.36Å; V336-N340 VanDerWaalsContact O-CG 3.3Å; V336-N340 PolarHBondContact O-N 3.33Å; T338-N340 VanDerWaalsContact C-N 3.33Å; T338-N340 PolarHBondContact O-N 2.96Å; N340-L342 PolarHBondContact O-N 2.87Å; N340-N343 PolarHBondContact O-N 2.94Å; N340-Y344 WeakPolarHBondContact O-CD2 3.22Å; N340-Y344 PolarHBondContact O-N 3.34Å; N340-Y344 VanDerWaalsContact O-N 3.11Å |
| 341 | R | 97.5 | Very high | 97.5 | Very high | 32 Ų | 32 | 30.7 Ų | 30.7 | 12% | 0.121 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.8 | -50.2 | 175.2 | -177.8 | 73.3 | 66.2 | -154.5 | -8.6 | 112 | F41 I156 L157 S337 T338 N343 Y344 L345 | F41-R341 VanDerWaalsContact CB-NH1 3.33Å; I156-R341 WeakPolarHBondContact O-CD 3.42Å; L157-R341 WeakPolarHBondContact O-CG 3.16Å; L157-R341 PolarHBondContact O-NE 3Å; S337-R341 WeakPolarHBondContact O-CB 3.44Å; S337-R341 PolarHBondContact O-N 2.94Å; T338-R341 PolarHBondContact O-N 2.9Å; R341-N343 VanDerWaalsContact C-N 3.25Å; R341-N343 PolarHBondContact O-N 3.07Å; R341-Y344 PolarHBondContact O-N 2.91Å; R341-Y344 VanDerWaalsContact O-N 3.16Å; R341-L345 HydrophobicContact CG-CD1 3.9Å; R341-L345 WeakPolarHBondContact O-CG 3.26Å; R341-L345 PolarHBondContact O-N 2.04Å |
| 342 | L | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.9 | -37.7 | 179.6 | -66.7 | 168.9 | 0 | 0 | 0 | 111.5 | L157 V280 I334 T338 W339 N340 Y344 L345 K346 L379 V382 L383 | L157-L342 HydrophobicContact CD2-CD2 3.92Å; V280-L342 HydrophobicContact CG1-CD1 4.14Å; V280-L342 HydrophobicContact CG1-CD2 4Å; I334-L342 HydrophobicContact CD1-CD1 4.07Å; T338-L342 HydrophobicContact CG2-CD1 3.97Å; T338-L342 HydrophobicContact CG2-CG 4.33Å; T338-L342 VanDerWaalsContact O-CG 3.22Å; T338-L342 WeakPolarHBondContact O-CG 3.38Å; T338-L342 PolarHBondContact O-N 3.23Å; W339-L342 PolarHBondContact O-N 2.92Å; N340-L342 PolarHBondContact O-N 2.87Å; L342-Y344 PolarHBondContact O-N 2.71Å; L342-L345 PolarHBondContact O-N 3.32Å; L342-K346 PolarHBondContact O-N 3.24Å; L342-L379 HydrophobicContact CB-CD1 3.96Å; L342-L379 HydrophobicContact CD2-CD1 3.54Å; L342-L379 HydrophobicContact CG-CD1 4.31Å; L342-V382 HydrophobicContact CD1-CG1 3.83Å; L342-L383 HydrophobicContact CB-CD2 3.87Å |
| 343 | N | 98.1 | Very high | 97.5 | Very high | 40 Ų | 40 | 33.5 Ų | 33.5 | 21% | 0.214 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.1 | -31.5 | 177.1 | -88.1 | -80 | 0 | 0 | 0 | 113.9 | W339 N340 R341 L345 K346 | W339-N343 VanDerWaalsContact CD2-ND2 3.28Å; W339-N343 WeakPolarHBondContact CZ2-ND2 3.32Å; W339-N343 PolarHBondContact O-N 3.26Å; W339-N343 VanDerWaalsContact O-N 3.11Å; W339-N343 PolarHBondContact O-ND2 3.24Å; N340-N343 PolarHBondContact O-N 2.94Å; R341-N343 VanDerWaalsContact C-N 3.25Å; R341-N343 PolarHBondContact O-N 3.07Å; N343-L345 VanDerWaalsContact C-N 3.28Å; N343-K346 WeakPolarHBondContact O-CD 3.43Å; N343-K346 WeakPolarHBondContact O-CE 3.48Å; N343-K346 VanDerWaalsContact O-CG 3.24Å; N343-K346 WeakPolarHBondContact O-CG 3.06Å |
| 344 | Y | 97.8 | Very high | 97.5 | Very high | 54 Ų | 54 | 32.4 Ų | 32.4 | 21% | 0.212 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -74.4 | -21.6 | 173.6 | -59.3 | -34.8 | 0 | 0 | 0 | 113 | N34 D37 Q38 F41 N340 R341 L342 | N34-Y344 PolarHBondContact OD1-OH 3.42Å; D37-Y344 HydrophobicContact CB-CE2 4.08Å; Q38-Y344 HydrophobicContact CG-CE1 4.3Å; Q38-Y344 HydrophobicContact CG-CE2 4.37Å; Q38-Y344 VanDerWaalsContact CG-OH 3.24Å; Q38-Y344 WeakPolarHBondContact CG-OH 3.38Å; F41-Y344 HydrophobicContact CB-CD2 3.79Å; F41-Y344 HydrophobicContact CB-CE2 4.24Å; F41-Y344 HydrophobicContact CD1-CD2 4.36Å; F41-Y344 HydrophobicContact CD1-CG 4.39Å; F41-Y344 AromaticContact CD2-CD2 3.79Å; F41-Y344 HydrophobicContact CD2-CD2 3.79Å; F41-Y344 HydrophobicContact CD2-CG 4.12Å; F41-Y344 VanDerWaalsContact CE2-CB 3.42Å; F41-Y344 HydrophobicContact CE2-CG 4.44Å; F41-Y344 AromaticContact CG-CD2 3.71Å; F41-Y344 HydrophobicContact CG-CD2 3.71Å; F41-Y344 HydrophobicContact CG-CG 4.12Å; N340-Y344 WeakPolarHBondContact O-CD2 3.22Å; N340-Y344 PolarHBondContact O-N 3.34Å; N340-Y344 VanDerWaalsContact O-N 3.11Å; R341-Y344 PolarHBondContact O-N 2.91Å; R341-Y344 VanDerWaalsContact O-N 3.16Å; L342-Y344 PolarHBondContact O-N 2.71Å |
| 345 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -5 | -176.7 | -72.5 | 170.5 | 0 | 0 | 0 | 114.4 | F41 I156 L157 R341 L342 N343 V349 L350 L379 | F41-L345 HydrophobicContact CE2-CD2 3.79Å; F41-L345 HydrophobicContact CE2-CG 4.01Å; F41-L345 HydrophobicContact CZ-CD2 4.29Å; I156-L345 HydrophobicContact CG2-CD1 3.93Å; I156-L345 HydrophobicContact CG2-CD2 3.55Å; I156-L345 HydrophobicContact CG2-CG 4.42Å; L157-L345 HydrophobicContact CD2-CD1 3.71Å; R341-L345 HydrophobicContact CG-CD1 3.9Å; R341-L345 WeakPolarHBondContact O-CG 3.26Å; R341-L345 PolarHBondContact O-N 2.04Å; L342-L345 PolarHBondContact O-N 3.32Å; N343-L345 VanDerWaalsContact C-N 3.28Å; L345-V349 HydrophobicContact CD2-CG1 4.29Å; L345-L350 HydrophobicContact CB-CB 4.14Å; L345-L350 HydrophobicContact CD1-CD1 4.27Å; L345-L350 HydrophobicContact CD2-CD1 4.26Å; L345-L350 WeakPolarHBondContact O-CB 3.46Å; L345-L350 PolarHBondContact O-N 3.24Å; L345-L379 VanDerWaalsContact C-CD2 3.48Å; L345-L379 HydrophobicContact CB-CD2 3.95Å; L345-L379 VanDerWaalsContact O-CD2 3.31Å; L345-L379 WeakPolarHBondContact O-CD2 3.48Å |
| 346 | K | 95.9 | Very high | 97.4 | Very high | 79 Ų | 79 | 38.5 Ų | 38.5 | 34% | 0.343 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 177.6 | 179.1 | 74.6 | -171.8 | 176.5 | -177 | 0 | 112.9 | L342 N343 G348 V349 L379 L383 | L342-K346 PolarHBondContact O-N 3.24Å; N343-K346 WeakPolarHBondContact O-CD 3.43Å; N343-K346 WeakPolarHBondContact O-CE 3.48Å; N343-K346 VanDerWaalsContact O-CG 3.24Å; N343-K346 WeakPolarHBondContact O-CG 3.06Å; K346-G348 PolarHBondContact O-N 2.92Å; K346-V349 WeakPolarHBondContact O-CB 3.4Å; K346-V349 VanDerWaalsContact O-CG2 3.26Å; K346-V349 WeakPolarHBondContact O-CG2 3.38Å; K346-V349 PolarHBondContact O-N 2.85Å; K346-L379 HydrophobicContact CB-CD2 4.47Å; K346-L383 HydrophobicContact CB-CD1 4.16Å |
| 347 | N | 95.8 | Very high | 97.5 | Very high | 141 Ų | 141 | 37.8 Ų | 37.8 | 75% | 0.754 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 39.5 | 174.6 | -56.8 | -21.3 | 0 | 0 | 0 | 114.1 | V349 | N347-V349 VanDerWaalsContact C-N 3.3Å; N347-V349 PolarHBondContact O-N 3.24Å |
| 348 | G | 96.4 | Very high | 97.7 | Very high | 25 Ų | 25 | 36.6 Ų | 36.6 | 26% | 0.258 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -0.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K346 S352 D376 | K346-G348 PolarHBondContact O-N 2.92Å; G348-S352 WeakPolarHBondContact O-CB 3.26Å; G348-S352 PolarHBondContact O-N 2.82Å; G348-S352 PolarHBondContact O-OG 3.05Å; G348-D376 WeakPolarHBondContact CA-OD2 3.42Å |
| 349 | V | 98.3 | Very high | 97.6 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 27% | 0.267 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.5 | -39.7 | -179.4 | 178 | 0 | 0 | 0 | 0 | 110.7 | F41 M45 L345 K346 N347 S352 A353 | F41-V349 HydrophobicContact CZ-CG1 4.03Å; M45-V349 HydrophobicContact CE-CG1 4.28Å; M45-V349 HydrophobicContact SD-CG1 4.46Å; L345-V349 HydrophobicContact CD2-CG1 4.29Å; K346-V349 WeakPolarHBondContact O-CB 3.4Å; K346-V349 VanDerWaalsContact O-CG2 3.26Å; K346-V349 WeakPolarHBondContact O-CG2 3.38Å; K346-V349 PolarHBondContact O-N 2.85Å; N347-V349 VanDerWaalsContact C-N 3.3Å; N347-V349 PolarHBondContact O-N 3.24Å; V349-S352 PolarHBondContact O-N 3.32Å; V349-A353 VanDerWaalsContact O-CB 3.26Å; V349-A353 WeakPolarHBondContact O-CB 3.41Å; V349-A353 PolarHBondContact O-N 3.05Å |
| 350 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.3 | -52.2 | 179.1 | -177.9 | 51.3 | 0 | 0 | 0 | 112.6 | L153 I156 L284 L345 S352 A353 L354 V375 D376 L379 | L153-L350 HydrophobicContact CD1-CD1 3.69Å; I156-L350 HydrophobicContact CG2-CD1 3.71Å; L284-L350 HydrophobicContact CD1-CD2 4.47Å; L284-L350 HydrophobicContact CD2-CD2 4.34Å; L345-L350 HydrophobicContact CB-CB 4.14Å; L345-L350 HydrophobicContact CD1-CD1 4.27Å; L345-L350 HydrophobicContact CD2-CD1 4.26Å; L345-L350 WeakPolarHBondContact O-CB 3.46Å; L345-L350 PolarHBondContact O-N 3.24Å; L350-S352 VanDerWaalsContact C-N 3.29Å; L350-S352 PolarHBondContact O-N 3.29Å; L350-A353 PolarHBondContact O-N 2.85Å; L350-L354 HydrophobicContact CD1-CD1 4.33Å; L350-L354 HydrophobicContact CD1-CG 4.43Å; L350-L354 HydrophobicContact CG-CD1 4.46Å; L350-L354 PolarHBondContact O-N 3.29Å; L350-V375 HydrophobicContact CD1-CG1 4.49Å; L350-V375 HydrophobicContact CD2-CG1 3.34Å; L350-V375 HydrophobicContact CG-CG1 3.6Å; L350-D376 WeakPolarHBondContact CB-OD1 3.47Å; L350-L379 HydrophobicContact CB-CD2 4.12Å; L350-L379 HydrophobicContact CD2-CB 4.08Å; L350-L379 HydrophobicContact CD2-CD2 3.92Å; L350-L379 HydrophobicContact CD2-CG 4.43Å |
| 351 | K | 98.1 | Very high | 97.5 | Very high | 46 Ų | 46 | 39.5 Ų | 39.5 | 20% | 0.2 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -51.7 | -47.8 | 171.7 | 163 | 165.2 | -177 | -176.4 | 0 | 112.4 | L354 K355 L372 D373 D376 | K351-L354 PolarHBondContact O-N 3.18Å; K351-K355 WeakPolarHBondContact O-CB 3.31Å; K351-K355 PolarHBondContact O-N 3.05Å; K351-L372 HydrophobicContact CD-CB 3.99Å; K351-L372 HydrophobicContact CG-CB 3.95Å; K351-D373 WeakPolarHBondContact CD-OD1 3.42Å; K351-D373 IonicContact NZ-OD1 2.83Å; K351-D373 PolarHBondContact NZ-OD1 2.88Å; K351-D373 IonicContact NZ-OD2 3.86Å; K351-D376 WeakPolarHBondContact CB-OD2 3.35Å; K351-D376 PolarHBondContact N-OD1 3.06Å |
| 352 | S | 98.3 | Very high | 97.6 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 52% | 0.517 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.7 | -41.1 | -178.2 | -60.3 | 0 | 0 | 0 | 0 | 111.8 | G348 V349 L350 S356 | G348-S352 WeakPolarHBondContact O-CB 3.26Å; G348-S352 PolarHBondContact O-N 2.82Å; G348-S352 PolarHBondContact O-OG 3.05Å; V349-S352 PolarHBondContact O-N 3.32Å; L350-S352 VanDerWaalsContact C-N 3.29Å; L350-S352 PolarHBondContact O-N 3.29Å; S352-S356 WeakPolarHBondContact O-CB 3.45Å; S352-S356 PolarHBondContact O-N 2.9Å |
| 353 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63 | -48.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | M45 L48 I156 V349 L350 S356 A357 | M45-A353 HydrophobicContact CE-CB 4.38Å; M45-A353 HydrophobicContact SD-CB 4.12Å; L48-A353 HydrophobicContact CD1-CB 3.6Å; I156-A353 HydrophobicContact CD1-CB 3.92Å; I156-A353 HydrophobicContact CG1-CB 4.17Å; I156-A353 HydrophobicContact CG2-CB 4.15Å; V349-A353 VanDerWaalsContact O-CB 3.26Å; V349-A353 WeakPolarHBondContact O-CB 3.41Å; V349-A353 PolarHBondContact O-N 3.05Å; L350-A353 PolarHBondContact O-N 2.85Å; A353-S356 PolarHBondContact O-N 2.8Å; A353-A357 WeakPolarHBondContact O-CB 3.38Å; A353-A357 PolarHBondContact O-N 3.35Å |
| 354 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -49.1 | 176.6 | -86.1 | 171.3 | 0 | 0 | 0 | 111.8 | H152 L153 I156 L350 K351 S356 A357 M358 L372 V375 | H152-L354 HydrophobicContact CB-CD2 4.47Å; L153-L354 HydrophobicContact CB-CD2 4.05Å; L153-L354 HydrophobicContact CD1-CD1 4.31Å; L153-L354 HydrophobicContact CD1-CD2 4.4Å; L153-L354 HydrophobicContact CD1-CG 4.5Å; I156-L354 HydrophobicContact CD1-CB 4.23Å; I156-L354 HydrophobicContact CD1-CD2 3.64Å; I156-L354 HydrophobicContact CD1-CG 3.68Å; L350-L354 HydrophobicContact CD1-CD1 4.33Å; L350-L354 HydrophobicContact CD1-CG 4.43Å; L350-L354 HydrophobicContact CG-CD1 4.46Å; L350-L354 PolarHBondContact O-N 3.29Å; K351-L354 PolarHBondContact O-N 3.18Å; L354-S356 VanDerWaalsContact C-N 3.27Å; L354-S356 PolarHBondContact O-N 2.59Å; L354-A357 PolarHBondContact O-N 2.8Å; L354-M358 HydrophobicContact CB-CE 4.17Å; L354-M358 WeakPolarHBondContact O-CE 3.36Å; L354-M358 WeakPolarHBondContact O-CG 3.24Å; L354-M358 PolarHBondContact O-N 2.84Å; L354-M358 VanDerWaalsContact O-N 3.07Å; L354-L372 HydrophobicContact CB-CD2 3.92Å; L354-V375 HydrophobicContact CD1-CB 4.35Å; L354-V375 HydrophobicContact CD1-CG1 3.83Å; L354-V375 HydrophobicContact CD1-CG2 4.27Å |
| 355 | K | 97.8 | Very high | 97.5 | Very high | 112 Ų | 112 | 43.6 Ų | 43.6 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 178 | -170.7 | 167.9 | -172 | 156.8 | 0 | 111.7 | K351 A359 D369 L372 | K351-K355 WeakPolarHBondContact O-CB 3.31Å; K351-K355 PolarHBondContact O-N 3.05Å; K355-A359 PolarHBondContact O-N 3.12Å; K355-D369 IonicContact NZ-OD1 2.85Å; K355-D369 PolarHBondContact NZ-OD1 3.07Å; K355-L372 HydrophobicContact CB-CD1 4.28Å; K355-L372 HydrophobicContact CD-CD1 4.28Å; K355-L372 HydrophobicContact CG-CD1 4.41Å |
| 356 | S | 97.7 | Very high | 97.6 | Very high | 27 Ų | 27 | 43.7 Ų | 43.7 | 19% | 0.189 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.2 | -42.8 | 177.5 | -166.6 | 0 | 0 | 0 | 0 | 112.6 | R49 S352 A353 L354 M358 A359 | R49-S356 VanDerWaalsContact CG-OG 3.31Å; R49-S356 WeakPolarHBondContact CG-OG 3.36Å; R49-S356 PolarHBondContact NE-OG 3.41Å; S352-S356 WeakPolarHBondContact O-CB 3.45Å; S352-S356 PolarHBondContact O-N 2.9Å; A353-S356 PolarHBondContact O-N 2.8Å; L354-S356 VanDerWaalsContact C-N 3.27Å; L354-S356 PolarHBondContact O-N 2.59Å; S356-M358 VanDerWaalsContact C-N 3.35Å; S356-M358 PolarHBondContact O-N 3.35Å; S356-A359 WeakPolarHBondContact O-CB 3.38Å; S356-A359 PolarHBondContact O-N 3.17Å |
| 357 | A | 97.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.8 | -36.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L48 H152 I156 A353 L354 | L48-A357 HydrophobicContact CB-CB 4.35Å; L48-A357 HydrophobicContact CD2-CB 4.17Å; H152-A357 HydrophobicContact CB-CB 4.08Å; H152-A357 PolarHBondContact CE1-O 3.16Å; H152-A357 PolarHBondContact ND1-O 2.89Å; I156-A357 HydrophobicContact CD1-CB 4.25Å; A353-A357 WeakPolarHBondContact O-CB 3.38Å; A353-A357 PolarHBondContact O-N 3.35Å; L354-A357 PolarHBondContact O-N 2.8Å |
| 358 | M | 97.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 34.4 Ų | 34.4 | 3% | 0.034 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -4.2 | -179.1 | -62.3 | -177.4 | -60.3 | 0 | 0 | 113.6 | A149 H152 L354 S356 H360 D361 V366 L367 L372 | A149-M358 HydrophobicContact CB-SD 3.78Å; H152-M358 HydrophobicContact CB-CG 4.06Å; L354-M358 HydrophobicContact CB-CE 4.17Å; L354-M358 WeakPolarHBondContact O-CE 3.36Å; L354-M358 WeakPolarHBondContact O-CG 3.24Å; L354-M358 PolarHBondContact O-N 2.84Å; L354-M358 VanDerWaalsContact O-N 3.07Å; S356-M358 VanDerWaalsContact C-N 3.35Å; S356-M358 PolarHBondContact O-N 3.35Å; M358-H360 VanDerWaalsContact C-N 3.26Å; M358-H360 PolarHBondContact O-N 3.42Å; M358-D361 WeakPolarHBondContact O-CB 3.35Å; M358-D361 PolarHBondContact O-N 2.83Å; M358-V366 HydrophobicContact CB-CB 4.16Å; M358-V366 HydrophobicContact CB-CG2 3.88Å; M358-V366 HydrophobicContact CE-CB 4.42Å; M358-V366 HydrophobicContact CG-CB 4.33Å; M358-V366 HydrophobicContact CG-CG2 4.32Å; M358-V366 HydrophobicContact SD-CB 3.63Å; M358-V366 HydrophobicContact SD-CG1 3.66Å; M358-V366 HydrophobicContact SD-CG2 4.25Å; M358-L367 HydrophobicContact CE-CB 4.21Å; M358-L367 HydrophobicContact CE-CD1 3.98Å; M358-L367 HydrophobicContact CE-CG 3.98Å; M358-L367 HydrophobicContact SD-CD1 4.48Å; M358-L367 HydrophobicContact SD-CG 4.28Å; M358-L372 HydrophobicContact CE-CD2 4.13Å |
| 359 | A | 96.1 | Very high | 97.9 | Very high | 45 Ų | 45 | 37.2 Ų | 37.2 | 37% | 0.372 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -31.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114 | K355 S356 S364 | K355-A359 PolarHBondContact O-N 3.12Å; S356-A359 WeakPolarHBondContact O-CB 3.38Å; S356-A359 PolarHBondContact O-N 3.17Å; A359-S364 PolarHBondContact O-OG 3.23Å |
| 360 | H | 94.3 | Very high | 97.9 | Very high | 91 Ų | 91 | 38.4 Ų | 38.4 | 42% | 0.421 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 3.2 | -178.1 | -63.8 | 85.9 | 0 | 0 | 0 | 113.1 | L52 M358 | L52-H360 WeakPolarHBondContact CD1-O 3.3Å; M358-H360 VanDerWaalsContact C-N 3.26Å; M358-H360 PolarHBondContact O-N 3.42Å |
| 361 | D | 98.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -64.5 | 139.9 | 173.1 | -173.9 | -77.2 | 0 | 0 | 0 | 109.6 | V148 G167 M358 I363 S364 V366 | V148-D361 HydrophobicContact CG1-CB 4.45Å; V148-D361 WeakPolarHBondContact CG1-OD2 3.17Å; G167-D361 WeakPolarHBondContact CA-OD1 3.29Å; G167-D361 PolarHBondContact N-OD1 3.23Å; G167-D361 PolarHBondContact N-OD2 3.19Å; M358-D361 WeakPolarHBondContact O-CB 3.35Å; M358-D361 PolarHBondContact O-N 2.83Å; D361-I363 PolarHBondContact O-N 2.82Å; D361-I363 VanDerWaalsContact O-N 3.07Å; D361-I363 WeakPolarHBondContact OD1-CG1 3.34Å; D361-I363 PolarHBondContact OD1-N 3.43Å; D361-S364 WeakPolarHBondContact O-CB 3.49Å; D361-S364 PolarHBondContact O-N 3.06Å; D361-V366 HydrophobicContact CB-CG2 4.02Å |
| 362 | P | 98.3 | Very high | 97.9 | Very high | 53 Ų | 53 | 36.7 Ų | 36.7 | 34% | 0.344 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -23.3 | -175.5 | -25.7 | 38 | 0 | 0 | 0 | 114.2 | L52 A92 V166 G167 F169 | L52-P362 HydrophobicContact CD1-CG 3.76Å; A92-P362 HydrophobicContact CB-CG 4.08Å; V166-P362 HydrophobicContact CG2-CG 4.19Å; G167-P362 WeakPolarHBondContact O-CG 3.37Å; F169-P362 WeakPolarHBondContact CE2-O 3.39Å |
| 363 | I | 98.4 | Very high | 97.9 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 18.4 | 178.7 | 71.4 | 164.1 | 0 | 0 | 0 | 112.9 | R129 N145 V148 F169 E218 D361 P365 V366 | R129-I363 PolarHBondContact NH2-O 3.01Å; N145-I363 HydrophobicContact CB-CD1 4.43Å; V148-I363 HydrophobicContact CG2-CD1 4.27Å; F169-I363 HydrophobicContact CD2-CG2 4.33Å; F169-I363 HydrophobicContact CE2-CG2 3.87Å; F169-I363 HydrophobicContact CZ-CG2 4.16Å; E218-I363 HydrophobicContact CG-CB 4.2Å; E218-I363 HydrophobicContact CG-CG2 3.63Å; D361-I363 PolarHBondContact O-N 2.82Å; D361-I363 VanDerWaalsContact O-N 3.07Å; D361-I363 WeakPolarHBondContact OD1-CG1 3.34Å; D361-I363 PolarHBondContact OD1-N 3.43Å; I363-P365 CarbonylContact O-C 3.51Å; I363-P365 VanDerWaalsContact O-C 3.3Å; I363-P365 VanDerWaalsContact O-O 3.05Å; I363-V366 HydrophobicContact CG1-CG2 4.27Å |
| 364 | S | 97.5 | Very high | 97.9 | Very high | 60 Ų | 60 | 37 Ų | 37 | 42% | 0.42 | 22% | 0.217 | S | C | . | . | trans | -57.2 | 134.2 | 173.1 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | A359 D361 | A359-S364 PolarHBondContact O-OG 3.23Å; D361-S364 WeakPolarHBondContact O-CB 3.49Å; D361-S364 PolarHBondContact O-N 3.06Å | ||
| 365 | P | 97.9 | Very high | 97.9 | Very high | 95 Ų | 95 | 37 Ų | 37 | 62% | 0.617 | 22% | 0.217 | S | C | * | . | cis | -72.9 | 132.7 | 0.3 | 29.9 | -34.9 | 0 | 0 | 0 | 113.4 | R129 I363 | R129-P365 PolarHBondContact NE-O 3.47Å; R129-P365 PolarHBondContact NH2-O 2.81Å; I363-P365 CarbonylContact O-C 3.51Å; I363-P365 VanDerWaalsContact O-C 3.3Å; I363-P365 VanDerWaalsContact O-O 3.05Å | ||
| 366 | V | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.012 | 20% | 0.2 | C | C | . | . | trans | -81.4 | -43.2 | -179.7 | -179.9 | 0 | 0 | 0 | 0 | 112 | R129 N145 V148 A149 M358 D361 I363 | R129-V366 WeakPolarHBondContact CD-O 3.41Å; R129-V366 PolarHBondContact NE-O 3.02Å; N145-V366 HydrophobicContact CB-CG1 4.11Å; N145-V366 WeakPolarHBondContact CB-O 3.5Å; N145-V366 PolarHBondContact ND2-O 3.44Å; N145-V366 WeakPolarHBondContact O-CG1 3.49Å; V148-V366 HydrophobicContact CB-CG1 3.87Å; V148-V366 HydrophobicContact CG1-CG1 3.83Å; V148-V366 HydrophobicContact CG1-CG2 3.95Å; A149-V366 HydrophobicContact CB-CG1 4.18Å; M358-V366 HydrophobicContact CB-CB 4.16Å; M358-V366 HydrophobicContact CB-CG2 3.88Å; M358-V366 HydrophobicContact CE-CB 4.42Å; M358-V366 HydrophobicContact CG-CB 4.33Å; M358-V366 HydrophobicContact CG-CG2 4.32Å; M358-V366 HydrophobicContact SD-CB 3.63Å; M358-V366 HydrophobicContact SD-CG1 3.66Å; M358-V366 HydrophobicContact SD-CG2 4.25Å; D361-V366 HydrophobicContact CB-CG2 4.02Å; I363-V366 HydrophobicContact CG1-CG2 4.27Å | ||
| 367 | L | 98.6 | Very high | 98 | Very high | 9 Ų | 9 | 36.9 Ų | 36.9 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -117.7 | 149.4 | 175.2 | -65.7 | -176.9 | 0 | 0 | 0 | 110.1 | A149 F314 M358 H371 L372 | A149-L367 HydrophobicContact CB-CD1 3.81Å; A149-L367 HydrophobicContact CB-CD2 3.85Å; A149-L367 HydrophobicContact CB-CG 3.81Å; F314-L367 HydrophobicContact CB-CD2 4.14Å; F314-L367 HydrophobicContact CD1-CD1 3.94Å; F314-L367 HydrophobicContact CD1-CD2 3.89Å; F314-L367 HydrophobicContact CD2-CD2 4.2Å; F314-L367 HydrophobicContact CE1-CD1 3.59Å; F314-L367 HydrophobicContact CE1-CD2 4.32Å; F314-L367 HydrophobicContact CG-CD2 3.82Å; F314-L367 HydrophobicContact CZ-CD1 3.94Å; M358-L367 HydrophobicContact CE-CB 4.21Å; M358-L367 HydrophobicContact CE-CD1 3.98Å; M358-L367 HydrophobicContact CE-CG 3.98Å; M358-L367 HydrophobicContact SD-CD1 4.48Å; M358-L367 HydrophobicContact SD-CG 4.28Å; L367-H371 HydrophobicContact CB-CB 4.3Å; L367-H371 HydrophobicContact CD1-CB 4.45Å; L367-H371 HydrophobicContact CD2-CB 4.47Å; L367-L372 HydrophobicContact CB-CD2 4.45Å; L367-L372 HydrophobicContact CB-CG 4.3Å; L367-L372 HydrophobicContact CD1-CD2 4.22Å |
| 368 | S | 98.1 | Very high | 98 | Very high | 16 Ų | 16 | 36.9 Ų | 36.9 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | trans | -74.9 | 157.5 | 167.7 | 63.9 | 0 | 0 | 0 | 0 | 110.7 | D130 P370 H371 L372 | D130-S368 WeakPolarHBondContact OD1-CB 3.3Å; S368-P370 VanDerWaalsContact C-CD 3.49Å; S368-P370 VanDerWaalsContact C-N 3.35Å; S368-H371 PolarHBondContact O-N 3.3Å; S368-H371 VanDerWaalsContact O-N 3.15Å; S368-H371 PolarHBondContact OG-CD2 3.4Å; S368-L372 PolarHBondContact O-N 3.42Å | ||
| 369 | D | 97.9 | Very high | 98.1 | Very high | 83 Ų | 83 | 36.6 Ų | 36.6 | 44% | 0.444 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.6 | -38.2 | 179.1 | -75.8 | -35.3 | 0 | 0 | 0 | 113.4 | K355 H371 L372 D373 | K355-D369 IonicContact NZ-OD1 2.85Å; K355-D369 PolarHBondContact NZ-OD1 3.07Å; D369-H371 VanDerWaalsContact C-N 3.32Å; D369-H371 PolarHBondContact O-N 2.93Å; D369-L372 WeakPolarHBondContact O-CB 3.29Å; D369-L372 PolarHBondContact O-N 2.89Å; D369-L372 VanDerWaalsContact O-N 3.09Å; D369-D373 PolarHBondContact O-N 3.46Å |
| 370 | P | 98.6 | Very high | 98.2 | Very high | 69 Ų | 69 | 38.5 Ų | 38.5 | 45% | 0.448 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58 | -38.5 | 174.1 | -28.2 | 36.4 | 0 | 0 | 0 | 114.2 | P317 S368 D373 A374 | P317-P370 HydrophobicContact CB-CB 3.83Å; P317-P370 HydrophobicContact CG-CB 3.93Å; S368-P370 VanDerWaalsContact C-CD 3.49Å; S368-P370 VanDerWaalsContact C-N 3.35Å; P370-D373 PolarHBondContact O-N 2.85Å; P370-A374 WeakPolarHBondContact O-CB 3.44Å; P370-A374 PolarHBondContact O-N 3.42Å |
| 371 | H | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 2% | 0.023 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.7 | -36.3 | 175.6 | -82.4 | -62.7 | 0 | 0 | 0 | 112.1 | F314 P317 L367 S368 D369 A374 V375 | F314-H371 HydrophobicContact CD1-CB 4.28Å; F314-H371 PolarHBondContact O-CE1 3.09Å; F314-H371 VanDerWaalsContact O-CE1 3.23Å; F314-H371 PolarHBondContact O-NE2 3.23Å; P317-H371 VanDerWaalsContact CD-CE1 3.48Å; P317-H371 WeakPolarHBondContact CD-CE1 3.38Å; L367-H371 HydrophobicContact CB-CB 4.3Å; L367-H371 HydrophobicContact CD1-CB 4.45Å; L367-H371 HydrophobicContact CD2-CB 4.47Å; S368-H371 PolarHBondContact O-N 3.3Å; S368-H371 VanDerWaalsContact O-N 3.15Å; S368-H371 PolarHBondContact OG-CD2 3.4Å; D369-H371 VanDerWaalsContact C-N 3.32Å; D369-H371 PolarHBondContact O-N 2.93Å; H371-A374 PolarHBondContact O-N 2.92Å; H371-V375 WeakPolarHBondContact O-CG2 3.42Å; H371-V375 PolarHBondContact O-N 3.02Å |
| 372 | L | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 174.6 | -71.1 | 172.4 | 0 | 0 | 0 | 111.6 | K351 L354 K355 M358 L367 S368 D369 V375 | K351-L372 HydrophobicContact CD-CB 3.99Å; K351-L372 HydrophobicContact CG-CB 3.95Å; L354-L372 HydrophobicContact CB-CD2 3.92Å; K355-L372 HydrophobicContact CB-CD1 4.28Å; K355-L372 HydrophobicContact CD-CD1 4.28Å; K355-L372 HydrophobicContact CG-CD1 4.41Å; M358-L372 HydrophobicContact CE-CD2 4.13Å; L367-L372 HydrophobicContact CB-CD2 4.45Å; L367-L372 HydrophobicContact CB-CG 4.3Å; L367-L372 HydrophobicContact CD1-CD2 4.22Å; S368-L372 PolarHBondContact O-N 3.42Å; D369-L372 WeakPolarHBondContact O-CB 3.29Å; D369-L372 PolarHBondContact O-N 2.89Å; D369-L372 VanDerWaalsContact O-N 3.09Å; L372-V375 PolarHBondContact O-N 3.23Å |
| 373 | D | 98.4 | Very high | 98.5 | Very high | 75 Ų | 75 | 33.9 Ų | 33.9 | 40% | 0.401 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 174.8 | -71.5 | -34.5 | 0 | 0 | 0 | 112.1 | K351 D369 P370 V375 D376 Q377 | K351-D373 WeakPolarHBondContact CD-OD1 3.42Å; K351-D373 IonicContact NZ-OD1 2.83Å; K351-D373 PolarHBondContact NZ-OD1 2.88Å; K351-D373 IonicContact NZ-OD2 3.86Å; D369-D373 PolarHBondContact O-N 3.46Å; P370-D373 PolarHBondContact O-N 2.85Å; D373-V375 VanDerWaalsContact C-N 3.29Å; D373-V375 PolarHBondContact O-N 3.45Å; D373-D376 PolarHBondContact O-N 3.49Å; D373-Q377 PolarHBondContact O-N 2.93Å |
| 374 | A | 98.6 | Very high | 98.5 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 6% | 0.058 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.9 | -38.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | P317 P370 H371 D376 Q377 R378 | P317-A374 HydrophobicContact CB-CB 4.3Å; P317-A374 WeakPolarHBondContact O-CB 3.48Å; P370-A374 WeakPolarHBondContact O-CB 3.44Å; P370-A374 PolarHBondContact O-N 3.42Å; H371-A374 PolarHBondContact O-N 2.92Å; A374-D376 PolarHBondContact O-N 3.2Å; A374-Q377 PolarHBondContact O-N 3.36Å; A374-R378 WeakPolarHBondContact O-CB 3.36Å; A374-R378 WeakPolarHBondContact O-CD 3.26Å; A374-R378 WeakPolarHBondContact O-CG 3.33Å; A374-R378 PolarHBondContact O-N 3.26Å |
| 375 | V | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 178.7 | 171.8 | 0 | 0 | 0 | 0 | 111.9 | F314 L350 L354 H371 L372 D373 R378 L379 | F314-V375 HydrophobicContact CE1-CG2 3.79Å; L350-V375 HydrophobicContact CD1-CG1 4.49Å; L350-V375 HydrophobicContact CD2-CG1 3.34Å; L350-V375 HydrophobicContact CG-CG1 3.6Å; L354-V375 HydrophobicContact CD1-CB 4.35Å; L354-V375 HydrophobicContact CD1-CG1 3.83Å; L354-V375 HydrophobicContact CD1-CG2 4.27Å; H371-V375 WeakPolarHBondContact O-CG2 3.42Å; H371-V375 PolarHBondContact O-N 3.02Å; L372-V375 PolarHBondContact O-N 3.23Å; D373-V375 VanDerWaalsContact C-N 3.29Å; D373-V375 PolarHBondContact O-N 3.45Å; V375-R378 PolarHBondContact O-N 3.16Å; V375-L379 PolarHBondContact O-N 2.8Å |
| 376 | D | 98.3 | Very high | 98.6 | Very high | 25 Ų | 25 | 29.9 Ų | 29.9 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -40.9 | 175.3 | -80 | -20.2 | 0 | 0 | 0 | 111.5 | G348 L350 K351 D373 A374 L379 L380 | G348-D376 WeakPolarHBondContact CA-OD2 3.42Å; L350-D376 WeakPolarHBondContact CB-OD1 3.47Å; K351-D376 WeakPolarHBondContact CB-OD2 3.35Å; K351-D376 PolarHBondContact N-OD1 3.06Å; D373-D376 PolarHBondContact O-N 3.49Å; A374-D376 PolarHBondContact O-N 3.2Å; D376-L379 WeakPolarHBondContact O-CB 3.4Å; D376-L379 PolarHBondContact O-N 3.32Å; D376-L380 PolarHBondContact O-N 3.28Å |
| 377 | Q | 98.3 | Very high | 98.6 | Very high | 111 Ų | 111 | 34.9 Ų | 34.9 | 52% | 0.519 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 176.4 | -66.8 | -56.4 | -41.9 | 0 | 0 | 111.5 | D373 A374 L379 L380 S381 | D373-Q377 PolarHBondContact O-N 2.93Å; A374-Q377 PolarHBondContact O-N 3.36Å; Q377-L379 VanDerWaalsContact C-N 3.32Å; Q377-L379 PolarHBondContact O-N 2.83Å; Q377-L380 WeakPolarHBondContact O-CB 3.27Å; Q377-L380 PolarHBondContact O-N 2.93Å; Q377-L380 VanDerWaalsContact O-N 3.1Å; Q377-S381 PolarHBondContact O-N 2.88Å; Q377-S381 PolarHBondContact O-OG 3.27Å |
| 378 | R | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.2 | -38.9 | 176.8 | -70.2 | 162.1 | -175.8 | 178.9 | -0.6 | 111.8 | Y283 L284 N316 L319 D320 A374 V375 L380 S381 V382 | Y283-R378 HydrophobicContact CD1-CB 3.97Å; Y283-R378 HydrophobicContact CD1-CG 4.44Å; Y283-R378 HydrophobicContact CE1-CB 3.6Å; Y283-R378 HydrophobicContact CE1-CG 3.93Å; Y283-R378 WeakPolarHBondContact CE1-O 3.44Å; Y283-R378 WeakPolarHBondContact O-CD 3.31Å; L284-R378 HydrophobicContact CD2-CB 3.96Å; L284-R378 WeakPolarHBondContact O-CD 3.49Å; L284-R378 PolarHBondContact O-NH1 3.2Å; N316-R378 PolarHBondContact O-NH2 2.61Å; L319-R378 PolarHBondContact O-NH2 3.16Å; D320-R378 WeakPolarHBondContact OD1-CG 3.47Å; D320-R378 IonicContact OD1-CZ 3.21Å; D320-R378 IonicContact OD1-NE 3.79Å; D320-R378 PolarHBondContact OD1-NE 3.2Å; D320-R378 IonicContact OD1-NH2 2.87Å; A374-R378 WeakPolarHBondContact O-CB 3.36Å; A374-R378 WeakPolarHBondContact O-CD 3.26Å; A374-R378 WeakPolarHBondContact O-CG 3.33Å; A374-R378 PolarHBondContact O-N 3.26Å; V375-R378 PolarHBondContact O-N 3.16Å; R378-L380 VanDerWaalsContact C-N 3.27Å; R378-L380 PolarHBondContact O-N 2.99Å; R378-S381 WeakPolarHBondContact O-CB 3.15Å; R378-S381 PolarHBondContact O-N 3.05Å; R378-V382 WeakPolarHBondContact O-CG2 3.36Å; R378-V382 PolarHBondContact O-N 3.07Å |
| 379 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.3 | -41.9 | 174 | 175.8 | 62.6 | 0 | 0 | 0 | 111.6 | L284 L342 L345 K346 L350 V375 D376 Q377 S381 V382 L383 | L284-L379 HydrophobicContact CD2-CB 3.97Å; L342-L379 HydrophobicContact CB-CD1 3.96Å; L342-L379 HydrophobicContact CD2-CD1 3.54Å; L342-L379 HydrophobicContact CG-CD1 4.31Å; L345-L379 VanDerWaalsContact C-CD2 3.48Å; L345-L379 HydrophobicContact CB-CD2 3.95Å; L345-L379 VanDerWaalsContact O-CD2 3.31Å; L345-L379 WeakPolarHBondContact O-CD2 3.48Å; K346-L379 HydrophobicContact CB-CD2 4.47Å; L350-L379 HydrophobicContact CB-CD2 4.12Å; L350-L379 HydrophobicContact CD2-CB 4.08Å; L350-L379 HydrophobicContact CD2-CD2 3.92Å; L350-L379 HydrophobicContact CD2-CG 4.43Å; V375-L379 PolarHBondContact O-N 2.8Å; D376-L379 WeakPolarHBondContact O-CB 3.4Å; D376-L379 PolarHBondContact O-N 3.32Å; Q377-L379 VanDerWaalsContact C-N 3.32Å; Q377-L379 PolarHBondContact O-N 2.83Å; L379-S381 VanDerWaalsContact C-N 3.32Å; L379-S381 PolarHBondContact O-N 2.8Å; L379-V382 PolarHBondContact O-N 2.97Å; L379-L383 HydrophobicContact CD1-CD1 4.47Å; L379-L383 HydrophobicContact CD1-CG 4.33Å; L379-L383 HydrophobicContact CG-CD1 4.28Å; L379-L383 WeakPolarHBondContact O-CG 3.33Å; L379-L383 PolarHBondContact O-N 2.94Å |
| 380 | L | 98.6 | Very high | 98.6 | Very high | 85 Ų | 85 | 36 Ų | 36 | 45% | 0.445 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.6 | -38.5 | 175.7 | -61.3 | 178.1 | 0 | 0 | 0 | 111.9 | D376 Q377 R378 L383 A384 | D376-L380 PolarHBondContact O-N 3.28Å; Q377-L380 WeakPolarHBondContact O-CB 3.27Å; Q377-L380 PolarHBondContact O-N 2.93Å; Q377-L380 VanDerWaalsContact O-N 3.1Å; R378-L380 VanDerWaalsContact C-N 3.27Å; R378-L380 PolarHBondContact O-N 2.99Å; L380-L383 PolarHBondContact O-N 3.05Å; L380-A384 WeakPolarHBondContact O-CB 3.41Å; L380-A384 PolarHBondContact O-N 2.94Å |
| 381 | S | 98.7 | Very high | 98.6 | Very high | 36 Ų | 36 | 38 Ų | 38 | 25% | 0.252 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65 | -39.1 | 175.4 | -37.3 | 0 | 0 | 0 | 0 | 112.5 | Y283 Q377 R378 L379 A384 T385 | Y283-S381 WeakPolarHBondContact OH-CB 3.33Å; Y283-S381 PolarHBondContact OH-OG 3.34Å; Y283-S381 VanDerWaalsContact OH-OG 3.12Å; Q377-S381 PolarHBondContact O-N 2.88Å; Q377-S381 PolarHBondContact O-OG 3.27Å; R378-S381 WeakPolarHBondContact O-CB 3.15Å; R378-S381 PolarHBondContact O-N 3.05Å; L379-S381 VanDerWaalsContact C-N 3.32Å; L379-S381 PolarHBondContact O-N 2.8Å; S381-A384 PolarHBondContact O-N 3.18Å; S381-T385 WeakPolarHBondContact O-CB 3.34Å; S381-T385 PolarHBondContact O-N 3.41Å; S381-T385 PolarHBondContact O-OG1 2.73Å |
| 382 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.4 | -50.1 | 174.8 | 176.1 | 0 | 0 | 0 | 0 | 109.8 | V280 Y283 L284 L325 L328 L342 R378 L379 A384 T385 V386 | V280-V382 HydrophobicContact CG1-CG1 3.96Å; V280-V382 HydrophobicContact CG1-CG2 4.32Å; V280-V382 HydrophobicContact CG2-CG1 3.93Å; Y283-V382 HydrophobicContact CD1-CG2 3.63Å; Y283-V382 HydrophobicContact CE1-CG2 4.1Å; L284-V382 HydrophobicContact CD2-CG2 4.46Å; L325-V382 HydrophobicContact CD1-CG2 4.18Å; L325-V382 HydrophobicContact CD2-CG2 4.15Å; L328-V382 HydrophobicContact CD2-CG1 4.2Å; L342-V382 HydrophobicContact CD1-CG1 3.83Å; R378-V382 WeakPolarHBondContact O-CG2 3.36Å; R378-V382 PolarHBondContact O-N 3.07Å; L379-V382 PolarHBondContact O-N 2.97Å; V382-A384 VanDerWaalsContact C-N 3.32Å; V382-A384 PolarHBondContact O-N 2.85Å; V382-T385 WeakPolarHBondContact O-CB 3.36Å; V382-T385 PolarHBondContact O-N 3.41Å; V382-T385 VanDerWaalsContact O-N 3.13Å; V382-V386 WeakPolarHBondContact O-CG2 3.1Å; V382-V386 PolarHBondContact O-N 2.66Å |
| 383 | L | 98.8 | Very high | 98.5 | Very high | 19 Ų | 19 | 48 Ų | 48 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.7 | -41.5 | 179.7 | -67.1 | 175.1 | 0 | 0 | 0 | 111.9 | W339 L342 K346 L379 L380 T385 V386 K387 | W339-L383 HydrophobicContact CE3-CD2 4.04Å; W339-L383 HydrophobicContact CH2-CD2 3.99Å; W339-L383 HydrophobicContact CZ3-CB 4.48Å; W339-L383 HydrophobicContact CZ3-CD2 3.43Å; W339-L383 VanDerWaalsContact CZ3-CD2 3.43Å; L342-L383 HydrophobicContact CB-CD2 3.87Å; K346-L383 HydrophobicContact CB-CD1 4.16Å; L379-L383 HydrophobicContact CD1-CD1 4.47Å; L379-L383 HydrophobicContact CD1-CG 4.33Å; L379-L383 HydrophobicContact CG-CD1 4.28Å; L379-L383 WeakPolarHBondContact O-CG 3.33Å; L379-L383 PolarHBondContact O-N 2.94Å; L380-L383 PolarHBondContact O-N 3.05Å; L383-T385 VanDerWaalsContact C-N 3.34Å; L383-V386 PolarHBondContact O-N 2.91Å; L383-K387 WeakPolarHBondContact O-CB 3.43Å; L383-K387 PolarHBondContact O-N 3.33Å |
| 384 | A | 98.8 | Very high | 98.5 | Very high | 60 Ų | 60 | 46 Ų | 46 | 50% | 0.496 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.6 | -39.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L380 S381 V382 K387 Q388 | L380-A384 WeakPolarHBondContact O-CB 3.41Å; L380-A384 PolarHBondContact O-N 2.94Å; S381-A384 PolarHBondContact O-N 3.18Å; V382-A384 VanDerWaalsContact C-N 3.32Å; V382-A384 PolarHBondContact O-N 2.85Å; A384-K387 PolarHBondContact O-N 3.4Å; A384-Q388 PolarHBondContact O-N 3.36Å |
| 385 | T | 98.8 | Very high | 98.4 | Very high | 14 Ų | 14 | 49.6 Ų | 49.6 | 9% | 0.086 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | L328 S381 V382 L383 K387 Q388 C389 | L328-T385 HydrophobicContact CD2-CG2 3.86Å; L328-T385 HydrophobicContact CG-CG2 3.97Å; S381-T385 WeakPolarHBondContact O-CB 3.34Å; S381-T385 PolarHBondContact O-N 3.41Å; S381-T385 PolarHBondContact O-OG1 2.73Å; V382-T385 WeakPolarHBondContact O-CB 3.36Å; V382-T385 PolarHBondContact O-N 3.41Å; V382-T385 VanDerWaalsContact O-N 3.13Å; L383-T385 VanDerWaalsContact C-N 3.34Å; T385-K387 VanDerWaalsContact C-N 3.31Å; T385-K387 PolarHBondContact O-N 2.83Å; T385-Q388 PolarHBondContact O-N 3.35Å; T385-C389 PolarHBondContact O-N 3.26Å |
| 386 | V | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 175.2 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | L328 I334 W339 V382 L383 Q388 C389 T390 V398 L399 | L328-V386 HydrophobicContact CD1-CG2 4.17Å; L328-V386 HydrophobicContact CD2-CG2 4.02Å; I334-V386 HydrophobicContact CD1-CG2 3.88Å; I334-V386 HydrophobicContact CG2-CG1 3.96Å; I334-V386 HydrophobicContact CG2-CG2 4.32Å; W339-V386 HydrophobicContact CD2-CG1 4.12Å; W339-V386 HydrophobicContact CE3-CB 3.86Å; W339-V386 HydrophobicContact CE3-CG1 3.51Å; W339-V386 HydrophobicContact CE3-CG2 4.02Å; W339-V386 HydrophobicContact CH2-CB 4.23Å; W339-V386 HydrophobicContact CH2-CG1 4.09Å; W339-V386 HydrophobicContact CZ3-CB 3.48Å; W339-V386 VanDerWaalsContact CZ3-CB 3.48Å; W339-V386 HydrophobicContact CZ3-CG1 3.5Å; W339-V386 VanDerWaalsContact CZ3-CG1 3.5Å; W339-V386 HydrophobicContact CZ3-CG2 3.98Å; V382-V386 WeakPolarHBondContact O-CG2 3.1Å; V382-V386 PolarHBondContact O-N 2.66Å; L383-V386 PolarHBondContact O-N 2.91Å; V386-Q388 VanDerWaalsContact C-N 3.35Å; V386-Q388 PolarHBondContact O-N 3.47Å; V386-C389 WeakPolarHBondContact O-CB 3.31Å; V386-C389 PolarHBondContact O-N 3.43Å; V386-C389 VanDerWaalsContact O-N 3.14Å; V386-T390 HydrophobicContact CG1-CG2 4.28Å; V386-T390 WeakPolarHBondContact O-CG2 3.49Å; V386-T390 PolarHBondContact O-N 3.38Å; V386-T390 PolarHBondContact O-OG1 3.05Å; V386-V398 HydrophobicContact CG1-CG1 4.29Å; V386-L399 HydrophobicContact CG1-CD2 4.41Å |
| 387 | K | 98.5 | Very high | 98 | Very high | 108 Ų | 108 | 60 Ų | 60 | 47% | 0.47 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.9 | -46.2 | 178 | -177.9 | 53.4 | 176.9 | 155.8 | 0 | 111.5 | L383 A384 T385 C389 T390 D391 | L383-K387 WeakPolarHBondContact O-CB 3.43Å; L383-K387 PolarHBondContact O-N 3.33Å; A384-K387 PolarHBondContact O-N 3.4Å; T385-K387 VanDerWaalsContact C-N 3.31Å; T385-K387 PolarHBondContact O-N 2.83Å; K387-C389 VanDerWaalsContact C-N 3.34Å; K387-C389 PolarHBondContact O-N 3.27Å; K387-T390 WeakPolarHBondContact CA-OG1 3.44Å; K387-T390 PolarHBondContact O-N 2.91Å; K387-T390 VanDerWaalsContact O-N 3.13Å; K387-T390 PolarHBondContact O-OG1 3.46Å; K387-D391 VanDerWaalsContact CE-OD1 3.26Å; K387-D391 WeakPolarHBondContact CE-OD1 3.17Å; K387-D391 WeakPolarHBondContact CE-OD2 3.14Å; K387-D391 IonicContact NZ-OD1 3.78Å; K387-D391 PolarHBondContact NZ-OD1 3.29Å; K387-D391 IonicContact NZ-OD2 3.39Å; K387-D391 VanDerWaalsContact O-CG 3.28Å; K387-D391 PolarHBondContact O-N 3.41Å |
| 388 | Q | 98.6 | Very high | 98 | Very high | 112 Ų | 112 | 54.7 Ų | 54.7 | 52% | 0.523 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57 | -45.9 | 174.2 | -176.9 | -179.8 | -0.9 | 0 | 0 | 111.8 | A384 T385 V386 T390 D391 Q392 | A384-Q388 PolarHBondContact O-N 3.36Å; T385-Q388 PolarHBondContact O-N 3.35Å; V386-Q388 VanDerWaalsContact C-N 3.35Å; V386-Q388 PolarHBondContact O-N 3.47Å; Q388-T390 PolarHBondContact O-N 2.98Å; Q388-D391 PolarHBondContact O-N 3.04Å; Q388-Q392 WeakPolarHBondContact O-CB 3.43Å; Q388-Q392 PolarHBondContact O-N 2.95Å |
| 389 | C | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.02 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.2 | -46 | 174.6 | -73.2 | 0 | 0 | 0 | 0 | 111.7 | C332 T385 V386 K387 D391 Q392 F393 V398 | C332-C389 WeakPolarHBondContact CA-SG 3.01Å; C332-C389 HydrophobicContact CB-CB 3.57Å; C332-C389 WeakPolarHBondContact CB-SG 3.5Å; C332-C389 WeakPolarHBondContact SG-CB 3.2Å; C332-C389 CovalentContact SG-SG 2.05Å; C332-C389 PolarHBondContact SG-SG 2.85Å; T385-C389 PolarHBondContact O-N 3.26Å; V386-C389 WeakPolarHBondContact O-CB 3.31Å; V386-C389 PolarHBondContact O-N 3.43Å; V386-C389 VanDerWaalsContact O-N 3.14Å; K387-C389 VanDerWaalsContact C-N 3.34Å; K387-C389 PolarHBondContact O-N 3.27Å; C389-D391 VanDerWaalsContact C-N 3.33Å; C389-D391 PolarHBondContact O-N 2.94Å; C389-Q392 PolarHBondContact O-N 2.92Å; C389-F393 WeakPolarHBondContact O-CD2 3.49Å; C389-F393 PolarHBondContact O-N 3.15Å; C389-V398 HydrophobicContact CB-CG1 3.92Å; C389-V398 HydrophobicContact CB-CG2 3.95Å; C389-V398 WeakPolarHBondContact O-CG2 3.39Å |
| 390 | T | 98.5 | Very high | 97.8 | Very high | 16 Ų | 16 | 58.3 Ų | 58.3 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.7 | -34.7 | 180 | 58.7 | 0 | 0 | 0 | 0 | 112.8 | V386 K387 Q388 Q392 G394 V395 V398 | V386-T390 HydrophobicContact CG1-CG2 4.28Å; V386-T390 WeakPolarHBondContact O-CG2 3.49Å; V386-T390 PolarHBondContact O-N 3.38Å; V386-T390 PolarHBondContact O-OG1 3.05Å; K387-T390 WeakPolarHBondContact CA-OG1 3.44Å; K387-T390 PolarHBondContact O-N 2.91Å; K387-T390 VanDerWaalsContact O-N 3.13Å; K387-T390 PolarHBondContact O-OG1 3.46Å; Q388-T390 PolarHBondContact O-N 2.98Å; T390-Q392 VanDerWaalsContact C-N 3.32Å; T390-G394 CarbonylContact O-C 3.58Å; T390-G394 WeakPolarHBondContact O-CA 3.29Å; T390-G394 PolarHBondContact O-N 2.83Å; T390-V395 HydrophobicContact CG2-CG2 4.46Å; T390-V398 HydrophobicContact CG2-CB 3.93Å; T390-V398 HydrophobicContact CG2-CG1 3.84Å; T390-V398 HydrophobicContact CG2-CG2 4.33Å |
| 391 | D | 98.4 | Very high | 97.4 | Very high | 110 Ų | 110 | 57.9 Ų | 57.9 | 59% | 0.588 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -70.7 | -31.5 | 177.5 | -69.1 | -20.3 | 0 | 0 | 0 | 111.3 | K387 Q388 C389 | K387-D391 VanDerWaalsContact CE-OD1 3.26Å; K387-D391 WeakPolarHBondContact CE-OD1 3.17Å; K387-D391 WeakPolarHBondContact CE-OD2 3.14Å; K387-D391 IonicContact NZ-OD1 3.78Å; K387-D391 PolarHBondContact NZ-OD1 3.29Å; K387-D391 IonicContact NZ-OD2 3.39Å; K387-D391 VanDerWaalsContact O-CG 3.28Å; K387-D391 PolarHBondContact O-N 3.41Å; Q388-D391 PolarHBondContact O-N 3.04Å; C389-D391 VanDerWaalsContact C-N 3.33Å; C389-D391 PolarHBondContact O-N 2.94Å |
| 392 | Q | 97.9 | Very high | 96.8 | Very high | 126 Ų | 126 | 59 Ų | 59 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -84.8 | -41.9 | 180 | -175.9 | 172.9 | -7.8 | 0 | 0 | 113.6 | Q388 C389 T390 | Q388-Q392 WeakPolarHBondContact O-CB 3.43Å; Q388-Q392 PolarHBondContact O-N 2.95Å; C389-Q392 PolarHBondContact O-N 2.92Å; T390-Q392 VanDerWaalsContact C-N 3.32Å |
| 393 | F | 97.7 | Very high | 95.5 | Very high | 96 Ų | 96 | 62.6 Ų | 62.6 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -115.3 | -4.6 | -169.1 | -60.3 | -72.9 | 0 | 0 | 0 | 114.4 | C332 C389 T397 V398 | C332-F393 HydrophobicContact CB-CD2 3.73Å; C332-F393 HydrophobicContact CB-CE2 3.89Å; C332-F393 VanDerWaalsContact SG-CE2 3.55Å; C389-F393 WeakPolarHBondContact O-CD2 3.49Å; C389-F393 PolarHBondContact O-N 3.15Å; F393-T397 HydrophobicContact CB-CG2 4.26Å; F393-T397 VanDerWaalsContact O-CB 3.3Å; F393-T397 WeakPolarHBondContact O-CB 3.29Å; F393-T397 PolarHBondContact O-OG1 3.18Å; F393-V398 HydrophobicContact CB-CG2 4.02Å |
| 394 | G | 97.6 | Very high | 93.3 | Very high | 33 Ų | 33 | 68.7 Ų | 68.7 | 34% | 0.34 | 36% | 0.364 | S | S | . | . | trans | 84 | 152.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T390 D396 T397 V398 | T390-G394 CarbonylContact O-C 3.58Å; T390-G394 WeakPolarHBondContact O-CA 3.29Å; T390-G394 PolarHBondContact O-N 2.83Å; G394-D396 PolarHBondContact O-N 3.05Å; G394-T397 PolarHBondContact O-N 3.41Å; G394-V398 VanDerWaalsContact O-CG2 3.32Å; G394-V398 WeakPolarHBondContact O-CG2 3.2Å; G394-V398 PolarHBondContact O-N 2.94Å | ||
| 395 | V | 95.9 | Very high | 90.7 | Very high | 81 Ų | 81 | 71.1 Ų | 71.1 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | -175.8 | 177.4 | 0 | 0 | 0 | 0 | 111.8 | T390 T397 V398 L399 | T390-V395 HydrophobicContact CG2-CG2 4.46Å; V395-T397 PolarHBondContact O-N 2.82Å; V395-V398 PolarHBondContact O-N 3.41Å; V395-V398 VanDerWaalsContact O-N 3.15Å; V395-L399 HydrophobicContact CG1-CB 4.46Å; V395-L399 HydrophobicContact CG1-CD1 3.62Å; V395-L399 HydrophobicContact CG1-CG 3.99Å; V395-L399 WeakPolarHBondContact O-CB 3.31Å; V395-L399 PolarHBondContact O-N 2.81Å |
| 396 | D | 94.1 | Very high | 87.8 | Confident | 157 Ų | 157 | 76.9 Ų | 76.9 | 84% | 0.84 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -66.8 | -24.1 | -175.4 | -55.7 | -25.4 | 0 | 0 | 0 | 113.1 | G394 | G394-D396 PolarHBondContact O-N 3.05Å |
| 397 | T | 95.6 | Very high | 84.6 | Confident | 86 Ų | 86 | 81.5 Ų | 81.5 | 53% | 0.528 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -79.6 | -38.3 | 175.4 | -51.8 | 0 | 0 | 0 | 0 | 111.4 | F393 G394 V395 | F393-T397 HydrophobicContact CB-CG2 4.26Å; F393-T397 VanDerWaalsContact O-CB 3.3Å; F393-T397 WeakPolarHBondContact O-CB 3.29Å; F393-T397 PolarHBondContact O-OG1 3.18Å; G394-T397 PolarHBondContact O-N 3.41Å; V395-T397 PolarHBondContact O-N 2.82Å |
| 398 | V | 98 | Very high | 81.5 | Confident | 1 Ų | 1 | 85 Ų | 85 | 1% | 0.006 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -89.2 | -40.3 | -169.8 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | C332 I333 I334 V386 C389 T390 F393 G394 V395 V400 | C332-V398 WeakPolarHBondContact O-CA 3.3Å; C332-V398 WeakPolarHBondContact O-CG2 3.16Å; I333-V398 CarbonylContact C-O 3.41Å; I333-V398 VanDerWaalsContact CA-O 3.23Å; I333-V398 WeakPolarHBondContact CA-O 3.21Å; I334-V398 HydrophobicContact CG2-CG1 4.4Å; I334-V398 PolarHBondContact N-O 2.99Å; V386-V398 HydrophobicContact CG1-CG1 4.29Å; C389-V398 HydrophobicContact CB-CG1 3.92Å; C389-V398 HydrophobicContact CB-CG2 3.95Å; C389-V398 WeakPolarHBondContact O-CG2 3.39Å; T390-V398 HydrophobicContact CG2-CB 3.93Å; T390-V398 HydrophobicContact CG2-CG1 3.84Å; T390-V398 HydrophobicContact CG2-CG2 4.33Å; F393-V398 HydrophobicContact CB-CG2 4.02Å; G394-V398 VanDerWaalsContact O-CG2 3.32Å; G394-V398 WeakPolarHBondContact O-CG2 3.2Å; G394-V398 PolarHBondContact O-N 2.94Å; V395-V398 PolarHBondContact O-N 3.41Å; V395-V398 VanDerWaalsContact O-N 3.15Å; V398-V400 PolarHBondContact O-N 3.26Å |
| 399 | L | 97.1 | Very high | 78.2 | Confident | 31 Ų | 31 | 90 Ų | 90 | 16% | 0.162 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 104.9 | 179.9 | -60.2 | -168.9 | 0 | 0 | 0 | 109.6 | I334 V336 W339 V386 V395 | I334-L399 HydrophobicContact CG2-CD2 3.57Å; V336-L399 HydrophobicContact CG2-CB 3.95Å; W339-L399 HydrophobicContact CB-CD2 4.02Å; W339-L399 HydrophobicContact CD2-CD2 4.33Å; W339-L399 HydrophobicContact CG-CD1 4.46Å; W339-L399 HydrophobicContact CG-CD2 3.83Å; V386-L399 HydrophobicContact CG1-CD2 4.41Å; V395-L399 HydrophobicContact CG1-CB 4.46Å; V395-L399 HydrophobicContact CG1-CD1 3.62Å; V395-L399 HydrophobicContact CG1-CG 3.99Å; V395-L399 WeakPolarHBondContact O-CB 3.31Å; V395-L399 PolarHBondContact O-N 2.81Å |
| 400 | V | 95.8 | Very high | 77.2 | Confident | 50 Ų | 50 | 94.4 Ų | 94.4 | 30% | 0.303 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 119.9 | -179.1 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | L273 I333 I334 R335 V336 V398 D402 | L273-V400 HydrophobicContact CD1-CB 4.2Å; L273-V400 HydrophobicContact CD1-CG1 3.88Å; L273-V400 HydrophobicContact CD2-CB 4.21Å; L273-V400 HydrophobicContact CD2-CG2 4.24Å; I333-V400 HydrophobicContact CB-CG2 3.93Å; I333-V400 HydrophobicContact CG2-CG2 4.21Å; I334-V400 PolarHBondContact O-N 3.5Å; R335-V400 WeakPolarHBondContact CA-O 3.49Å; V336-V400 PolarHBondContact N-O 2.94Å; V336-V400 VanDerWaalsContact N-O 3.07Å; V398-V400 PolarHBondContact O-N 3.26Å; V400-D402 PolarHBondContact O-N 3.47Å |
| 401 | E | 91.4 | Very high | 76.1 | Confident | 76 Ų | 76 | 98.5 Ų | 98.5 | 36% | 0.355 | 53% | 0.528 | S | S | . | . | trans | -70.2 | 122.6 | 177.7 | -174.7 | 54 | -99.1 | 0 | 0 | 110.4 | R403 M404 | E401-R403 WeakPolarHBondContact OE1-CB 3.42Å; E401-R403 WeakPolarHBondContact OE1-CG 3.42Å; E401-R403 IonicContact OE1-CZ 3.34Å; E401-R403 PolarHBondContact OE1-N 3.07Å; E401-R403 IonicContact OE1-NE 3.56Å; E401-R403 PolarHBondContact OE1-NE 2.81Å; E401-R403 IonicContact OE1-NH2 3.24Å; E401-R403 IonicContact OE2-CZ 2.87Å; E401-R403 IonicContact OE2-NE 2.86Å; E401-R403 IonicContact OE2-NH2 2.74Å; E401-R403 PolarHBondContact OE2-NH2 3.34Å; E401-M404 HydrophobicContact CG-CE 4.32Å; E401-M404 HydrophobicContact CG-CG 4.08Å | ||
| 402 | D | 86.1 | Confident | 74.8 | Confident | 60 Ų | 60 | 97.8 Ų | 97.8 | 32% | 0.321 | 53% | 0.525 | S | S | . | . | trans | -115.9 | 2.2 | -175.3 | 63.3 | -54.2 | 0 | 0 | 0 | 113 | R335 S337 V400 | R335-D402 HydrophobicContact CB-CB 4.4Å; R335-D402 WeakPolarHBondContact CD-OD2 3.41Å; R335-D402 HydrophobicContact CG-CB 3.96Å; R335-D402 IonicContact NE-OD2 3.75Å; S337-D402 WeakPolarHBondContact CB-OD2 2.87Å; S337-D402 PolarHBondContact N-OD1 3.03Å; S337-D402 PolarHBondContact OG-OD1 3.39Å; S337-D402 PolarHBondContact OG-OD2 2.99Å; V400-D402 PolarHBondContact O-N 3.47Å | ||
| 403 | R | 70.9 | Confident | 73.5 | Confident | 74 Ų | 74 | 96.2 Ų | 96.2 | 28% | 0.279 | 52% | 0.521 | S | S | . | . | trans | -104.8 | 5.1 | -177.1 | -57.7 | 168.4 | -70.1 | -173 | 3.2 | 113.8 | D37 E401 P405 | D37-R403 IonicContact OD1-NH1 3.95Å; D37-R403 PolarHBondContact OD1-NH1 3.22Å; D37-R403 VanDerWaalsContact OD1-NH1 3.1Å; D37-R403 IonicContact OD2-CZ 3.98Å; D37-R403 IonicContact OD2-NH1 3.93Å; D37-R403 PolarHBondContact OD2-NH1 3.04Å; E401-R403 WeakPolarHBondContact OE1-CB 3.42Å; E401-R403 WeakPolarHBondContact OE1-CG 3.42Å; E401-R403 IonicContact OE1-CZ 3.34Å; E401-R403 PolarHBondContact OE1-N 3.07Å; E401-R403 IonicContact OE1-NE 3.56Å; E401-R403 PolarHBondContact OE1-NE 2.81Å; E401-R403 IonicContact OE1-NH2 3.24Å; E401-R403 IonicContact OE2-CZ 2.87Å; E401-R403 IonicContact OE2-NE 2.86Å; E401-R403 IonicContact OE2-NH2 2.74Å; E401-R403 PolarHBondContact OE2-NH2 3.34Å; R403-P405 WeakPolarHBondContact O-CD 3.45Å | ||
| 404 | M | 52.5 | Low | 72 | Confident | 148 Ų | 148 | 96.2 Ų | 96.2 | 73% | 0.729 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -66.5 | 122.2 | 171 | -70.6 | -168.7 | -179.3 | 0 | 0 | 108.4 | E401 L406 | E401-M404 HydrophobicContact CG-CE 4.32Å; E401-M404 HydrophobicContact CG-CG 4.08Å; M404-L406 PolarHBondContact O-N 2.87Å; M404-L406 VanDerWaalsContact O-N 3.12Å |
| 405 | P | 44.6 | Very low | 70.2 | Confident | 110 Ų | 110 | 100.4 Ų | 100.4 | 71% | 0.714 | 54% | 0.54 | S | S | * | . | trans | -56.8 | 125.9 | 167.8 | 23.4 | -29.3 | 0 | 0 | 0 | 106.2 | R403 S407 | R403-P405 WeakPolarHBondContact O-CD 3.45Å; P405-S407 PolarHBondContact O-N 2.88Å | ||
| 406 | L | 37.2 | Very low | 68.4 | Low | 136 Ų | 136 | 101.8 Ų | 101.8 | 71% | 0.712 | 54% | 0.544 | S | S | * | . | trans | -57.7 | 97 | 164.1 | -75.5 | 164.1 | 0 | 0 | 0 | 105.5 | M404 H408 L409 | M404-L406 PolarHBondContact O-N 2.87Å; M404-L406 VanDerWaalsContact O-N 3.12Å; L406-H408 PolarHBondContact O-N 2.68Å; L406-L409 HydrophobicContact CB-CD1 4.4Å; L406-L409 HydrophobicContact CD1-CD1 3.71Å; L406-L409 HydrophobicContact CD1-CG 4.42Å | ||
| 407 | S | 32.4 | Very low | 66.4 | Low | 98 Ų | 98 | 97.5 Ų | 97.5 | 69% | 0.685 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -63.3 | 109.1 | 165.3 | 45.4 | 0 | 0 | 0 | 0 | 104.3 | P405 | P405-S407 PolarHBondContact O-N 2.88Š|
| 408 | H | 31.8 | Very low | 64 | Low | 180 Ų | 180 | 98.5 Ų | 98.5 | 83% | 0.833 | 52% | 0.52 | S | S | * | . | trans | 87.3 | 71.9 | -172.5 | -41.8 | -60.1 | 0 | 0 | 0 | 115.1 | L406 | L406-H408 PolarHBondContact O-N 2.68Š| ||
| 409 | L | 30.3 | Very low | 60.9 | Low | 218 Ų | 218 | 107.4 Ų | 107.4 | 100% | 1.141 | 57% | 0.567 | S | S | * | * | trans | -109.4 | 0 | 132.9 | -88.2 | 164.7 | 0 | 0 | 0 | 108.4 | L406 | L406-L409 HydrophobicContact CB-CD1 4.4Å; L406-L409 HydrophobicContact CD1-CD1 3.71Å; L406-L409 HydrophobicContact CD1-CG 4.42Å |
Retrieved 409 of 409 residues in 77.2 ms
(Link to these results)