| 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 | 55.4 | Low | 70.4 | Confident | 141 Ų | 141 | 128.6 Ų | 128.6 | 70% | 0.695 | 63% | 0.632 | S | S | * | * | 0 | 127.8 | 0 | -80.1 | 164.6 | 68.4 | 0 | 0 | 109.7 | Q5 R6 V9 | M1-Q5 HydrophobicContact CB-CB 4.01Å; M1-Q5 HydrophobicContact CE-CB 3.84Å; M1-Q5 HydrophobicContact CG-CB 4.28Å; M1-R6 HydrophobicContact CB-CG 4.33Å; M1-V9 HydrophobicContact CE-CG2 3.8Å | |||
| 2 | K | 70.4 | Confident | 70.9 | Confident | 177 Ų | 177 | 122 Ų | 122 | 77% | 0.77 | 61% | 0.613 | S | S | * | * | trans | -63.2 | 151.4 | 176.4 | -69.5 | 176.7 | 175.6 | 176.7 | 0 | 109.7 | K4 Q5 R6 | K2-K4 PolarHBondContact O-N 3.01Å; K2-Q5 WeakPolarHBondContact O-CA 3.38Å; K2-Q5 WeakPolarHBondContact O-CB 3.29Å; K2-Q5 PolarHBondContact O-N 3.49Å; K2-R6 PolarHBondContact O-N 3.4Å | ||
| 3 | L | 69.2 | Low | 71.4 | Confident | 151 Ų | 151 | 118 Ų | 118 | 79% | 0.791 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -49.1 | -37.3 | -175.5 | -159.8 | 76.8 | 0 | 0 | 0 | 113.1 | Q5 R6 M7 | L3-Q5 PolarHBondContact O-N 3.46Å; L3-R6 PolarHBondContact O-N 3.33Å; L3-M7 PolarHBondContact O-N 3.19Å; L3-M7 VanDerWaalsContact O-N 3.11Å |
| 4 | K | 67.6 | Low | 71.7 | Confident | 180 Ų | 180 | 117.3 Ų | 117.3 | 78% | 0.783 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -59.9 | -40.4 | 174.1 | -70.4 | -172.8 | 175 | -175.3 | 0 | 113.7 | K2 M7 V8 | K2-K4 PolarHBondContact O-N 3.01Å; K4-M7 PolarHBondContact O-N 3.13Å; K4-V8 VanDerWaalsContact O-CG2 3.32Å; K4-V8 WeakPolarHBondContact O-CG2 3.34Å; K4-V8 PolarHBondContact O-N 3.08Å; K4-V8 VanDerWaalsContact O-N 3.12Å |
| 5 | Q | 68.1 | Low | 72.1 | Confident | 111 Ų | 111 | 117.3 Ų | 117.3 | 52% | 0.519 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.4 | -34.6 | 177.3 | -100.5 | 174.1 | -24.8 | 0 | 0 | 112.2 | M1 K2 L3 V9 | M1-Q5 HydrophobicContact CB-CB 4.01Å; M1-Q5 HydrophobicContact CE-CB 3.84Å; M1-Q5 HydrophobicContact CG-CB 4.28Å; K2-Q5 WeakPolarHBondContact O-CA 3.38Å; K2-Q5 WeakPolarHBondContact O-CB 3.29Å; K2-Q5 PolarHBondContact O-N 3.49Å; L3-Q5 PolarHBondContact O-N 3.46Å; Q5-V9 WeakPolarHBondContact O-CG2 3.12Å; Q5-V9 PolarHBondContact O-N 3.11Å; Q5-V9 VanDerWaalsContact O-N 3.16Å |
| 6 | R | 72.1 | Confident | 72.1 | Confident | 168 Ų | 168 | 117.3 Ų | 117.3 | 63% | 0.634 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.7 | -38.7 | 175.4 | -72.4 | -177 | 173.3 | 173.6 | -1.6 | 111.7 | M1 K2 L3 V9 L10 | M1-R6 HydrophobicContact CB-CG 4.33Å; K2-R6 PolarHBondContact O-N 3.4Å; L3-R6 PolarHBondContact O-N 3.33Å; R6-V9 PolarHBondContact O-N 2.85Å; R6-L10 WeakPolarHBondContact O-CB 3.36Å; R6-L10 PolarHBondContact O-N 2.97Å |
| 7 | M | 70.6 | Confident | 71.9 | Confident | 130 Ų | 130 | 116.8 Ų | 116.8 | 64% | 0.64 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.4 | -40.1 | 176.5 | -122.8 | -173.5 | 84.6 | 0 | 0 | 112.5 | L3 K4 L10 C11 | L3-M7 PolarHBondContact O-N 3.19Å; L3-M7 VanDerWaalsContact O-N 3.11Å; K4-M7 PolarHBondContact O-N 3.13Å; M7-L10 PolarHBondContact O-N 3.06Å; M7-C11 WeakPolarHBondContact O-CB 3.45Å; M7-C11 PolarHBondContact O-N 3.31Å; M7-C11 PolarHBondContact O-SG 3.09Å |
| 8 | V | 76 | Confident | 71.5 | Confident | 103 Ų | 103 | 112 Ų | 112 | 62% | 0.624 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66 | -42.6 | 177.6 | 172 | 0 | 0 | 0 | 0 | 111.2 | K4 C11 A12 | K4-V8 VanDerWaalsContact O-CG2 3.32Å; K4-V8 WeakPolarHBondContact O-CG2 3.34Å; K4-V8 PolarHBondContact O-N 3.08Å; K4-V8 VanDerWaalsContact O-N 3.12Å; V8-C11 PolarHBondContact O-N 3.14Å; V8-A12 WeakPolarHBondContact O-CB 3.37Å; V8-A12 PolarHBondContact O-N 3.35Å |
| 9 | V | 75.3 | Confident | 70.9 | Confident | 77 Ų | 77 | 110.7 Ų | 110.7 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.2 | -40.8 | 176.4 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | M1 Q5 R6 A12 V13 | M1-V9 HydrophobicContact CE-CG2 3.8Å; Q5-V9 WeakPolarHBondContact O-CG2 3.12Å; Q5-V9 PolarHBondContact O-N 3.11Å; Q5-V9 VanDerWaalsContact O-N 3.16Å; R6-V9 PolarHBondContact O-N 2.85Å; V9-A12 PolarHBondContact O-N 3.38Å; V9-V13 HydrophobicContact CG1-CG2 4.36Å; V9-V13 WeakPolarHBondContact O-CB 3.49Å; V9-V13 VanDerWaalsContact O-CG2 3.27Å; V9-V13 WeakPolarHBondContact O-CG2 3.46Å; V9-V13 PolarHBondContact O-N 3.25Å |
| 10 | L | 75.6 | Confident | 70.1 | Confident | 112 Ų | 112 | 107.3 Ų | 107.3 | 59% | 0.586 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.6 | -41.2 | 177.2 | -159.7 | 80.1 | 0 | 0 | 0 | 111.9 | R6 M7 V13 L14 | R6-L10 WeakPolarHBondContact O-CB 3.36Å; R6-L10 PolarHBondContact O-N 2.97Å; M7-L10 PolarHBondContact O-N 3.06Å; L10-V13 PolarHBondContact O-N 2.93Å; L10-L14 HydrophobicContact CG-CD1 4.33Å; L10-L14 WeakPolarHBondContact O-CB 3.45Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 2.96Å |
| 11 | C | 74.5 | Confident | 69 | Low | 65 Ų | 65 | 108.9 Ų | 108.9 | 44% | 0.439 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.7 | -41.6 | 174.9 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | M7 V8 L14 L15 | M7-C11 WeakPolarHBondContact O-CB 3.45Å; M7-C11 PolarHBondContact O-N 3.31Å; M7-C11 PolarHBondContact O-SG 3.09Å; V8-C11 PolarHBondContact O-N 3.14Å; C11-L14 PolarHBondContact O-N 3.48Å; C11-L15 WeakPolarHBondContact O-CB 3.46Å; C11-L15 PolarHBondContact O-N 2.89Å |
| 12 | A | 75.8 | Confident | 68.8 | Low | 49 Ų | 49 | 106.9 Ų | 106.9 | 41% | 0.405 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.3 | -40.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V8 V9 L15 L16 | V8-A12 WeakPolarHBondContact O-CB 3.37Å; V8-A12 PolarHBondContact O-N 3.35Å; V9-A12 PolarHBondContact O-N 3.38Å; A12-L15 PolarHBondContact O-N 3.24Å; A12-L16 WeakPolarHBondContact O-CB 3.28Å; A12-L16 WeakPolarHBondContact O-CG 3.27Å; A12-L16 PolarHBondContact O-N 2.89Å |
| 13 | V | 77.9 | Confident | 67.8 | Low | 70 Ų | 70 | 106.4 Ų | 106.4 | 42% | 0.424 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.3 | -41.1 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | V9 L10 L16 L17 | V9-V13 HydrophobicContact CG1-CG2 4.36Å; V9-V13 WeakPolarHBondContact O-CB 3.49Å; V9-V13 VanDerWaalsContact O-CG2 3.27Å; V9-V13 WeakPolarHBondContact O-CG2 3.46Å; V9-V13 PolarHBondContact O-N 3.25Å; L10-V13 PolarHBondContact O-N 2.93Å; V13-L16 PolarHBondContact O-N 3.33Å; V13-L17 HydrophobicContact CG1-CD1 3.88Å; V13-L17 HydrophobicContact CG1-CG 4.44Å; V13-L17 WeakPolarHBondContact O-CB 3.43Å; V13-L17 VanDerWaalsContact O-CG 3.31Å; V13-L17 WeakPolarHBondContact O-CG 3.42Å; V13-L17 PolarHBondContact O-N 3.47Å |
| 14 | L | 75.9 | Confident | 66.7 | Low | 108 Ų | 108 | 106.2 Ų | 106.2 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67 | -35.7 | 175.7 | -75.3 | 166.7 | 0 | 0 | 0 | 112.3 | L10 C11 L17 G18 | L10-L14 HydrophobicContact CG-CD1 4.33Å; L10-L14 WeakPolarHBondContact O-CB 3.45Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 2.96Å; C11-L14 PolarHBondContact O-N 3.48Å; L14-L17 PolarHBondContact O-N 3.24Å; L14-G18 PolarHBondContact O-N 2.82Å |
| 15 | L | 76.6 | Confident | 65.6 | Low | 118 Ų | 118 | 104.4 Ų | 104.4 | 62% | 0.618 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.8 | -42.5 | 173.7 | -127.3 | 117.6 | 0 | 0 | 0 | 111.4 | C11 A12 G18 L19 | C11-L15 WeakPolarHBondContact O-CB 3.46Å; C11-L15 PolarHBondContact O-N 2.89Å; A12-L15 PolarHBondContact O-N 3.24Å; L15-G18 PolarHBondContact O-N 2.75Å; L15-L19 HydrophobicContact CD2-CD1 4.24Å; L15-L19 WeakPolarHBondContact O-CB 3.29Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 3.15Å |
| 16 | L | 72.6 | Confident | 64.2 | Low | 117 Ų | 117 | 104.8 Ų | 104.8 | 61% | 0.613 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.5 | -39.5 | 175.8 | -79 | 163.6 | 0 | 0 | 0 | 112 | A12 V13 A20 | A12-L16 WeakPolarHBondContact O-CB 3.28Å; A12-L16 WeakPolarHBondContact O-CG 3.27Å; A12-L16 PolarHBondContact O-N 2.89Å; V13-L16 PolarHBondContact O-N 3.33Å; L16-A20 WeakPolarHBondContact O-CB 3.25Å; L16-A20 PolarHBondContact O-N 3.47Å |
| 17 | L | 68.8 | Low | 62.6 | Low | 108 Ų | 108 | 99.9 Ų | 99.9 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.9 | -36.9 | 174.3 | -74.1 | 168 | 0 | 0 | 0 | 111.9 | V13 L14 K21 | V13-L17 HydrophobicContact CG1-CD1 3.88Å; V13-L17 HydrophobicContact CG1-CG 4.44Å; V13-L17 WeakPolarHBondContact O-CB 3.43Å; V13-L17 VanDerWaalsContact O-CG 3.31Å; V13-L17 WeakPolarHBondContact O-CG 3.42Å; V13-L17 PolarHBondContact O-N 3.47Å; L14-L17 PolarHBondContact O-N 3.24Å; L17-K21 VanDerWaalsContact O-CB 3.27Å; L17-K21 WeakPolarHBondContact O-CB 3.43Å; L17-K21 PolarHBondContact O-N 3.3Å |
| 18 | G | 64.8 | Low | 61 | Low | 31 Ų | 31 | 96.6 Ų | 96.6 | 32% | 0.32 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.5 | -45.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L14 L15 K21 I22 | L14-G18 PolarHBondContact O-N 2.82Å; L15-G18 PolarHBondContact O-N 2.75Å; G18-K21 PolarHBondContact O-N 3.28Å; G18-I22 VanDerWaalsContact O-CG1 3.28Å; G18-I22 WeakPolarHBondContact O-CG1 3.36Å; G18-I22 PolarHBondContact O-N 3.45Å |
| 19 | L | 60.6 | Low | 59.4 | Low | 87 Ų | 87 | 100.7 Ų | 100.7 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.6 | -38.1 | 175.5 | -73.7 | 171 | 0 | 0 | 0 | 112.3 | L15 K21 I22 F23 | L15-L19 HydrophobicContact CD2-CD1 4.24Å; L15-L19 WeakPolarHBondContact O-CB 3.29Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 3.15Å; L19-K21 VanDerWaalsContact C-N 3.34Å; L19-I22 PolarHBondContact O-N 3.38Å; L19-F23 WeakPolarHBondContact O-CB 3.25Å; L19-F23 PolarHBondContact O-N 2.87Å |
| 20 | A | 54 | Low | 57.9 | Low | 42 Ų | 42 | 98.3 Ų | 98.3 | 35% | 0.347 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.1 | -35.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L16 F23 L24 | L16-A20 WeakPolarHBondContact O-CB 3.25Å; L16-A20 PolarHBondContact O-N 3.47Å; A20-F23 PolarHBondContact O-N 3.11Å; A20-L24 WeakPolarHBondContact O-CB 3.35Å; A20-L24 WeakPolarHBondContact O-CD1 3.26Å; A20-L24 VanDerWaalsContact O-CG 3.31Å; A20-L24 WeakPolarHBondContact O-CG 3.32Å; A20-L24 PolarHBondContact O-N 3.42Å |
| 21 | K | 47.7 | Very low | 56.6 | Low | 142 Ų | 142 | 96.6 Ų | 96.6 | 62% | 0.617 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.9 | -35.2 | 174.9 | -154.2 | 179.1 | -172.8 | -178.3 | 0 | 111.8 | L17 G18 L19 L25 | L17-K21 VanDerWaalsContact O-CB 3.27Å; L17-K21 WeakPolarHBondContact O-CB 3.43Å; L17-K21 PolarHBondContact O-N 3.3Å; G18-K21 PolarHBondContact O-N 3.28Å; L19-K21 VanDerWaalsContact C-N 3.34Å; K21-L25 HydrophobicContact CG-CD1 3.86Å; K21-L25 HydrophobicContact CG-CG 4.42Å; K21-L25 WeakPolarHBondContact O-CB 3.49Å; K21-L25 WeakPolarHBondContact O-CD1 3.47Å; K21-L25 WeakPolarHBondContact O-CG 3.36Å; K21-L25 PolarHBondContact O-N 3.45Å |
| 22 | I | 51.6 | Low | 55.1 | Low | 99 Ų | 99 | 96.7 Ų | 96.7 | 51% | 0.508 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.9 | -47.5 | 170.2 | -67.4 | 163.1 | 0 | 0 | 0 | 109.5 | G18 L19 L24 L25 D26 | G18-I22 VanDerWaalsContact O-CG1 3.28Å; G18-I22 WeakPolarHBondContact O-CG1 3.36Å; G18-I22 PolarHBondContact O-N 3.45Å; L19-I22 PolarHBondContact O-N 3.38Å; I22-L24 VanDerWaalsContact C-N 3.33Å; I22-L24 PolarHBondContact O-N 3.45Å; I22-L25 PolarHBondContact O-N 3.26Å; I22-D26 WeakPolarHBondContact O-CA 3.33Å; I22-D26 WeakPolarHBondContact O-CB 3.18Å; I22-D26 PolarHBondContact O-N 3.37Å |
| 23 | F | 48.2 | Very low | 53.6 | Low | 166 Ų | 166 | 96.8 Ų | 96.8 | 73% | 0.728 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.5 | -28.5 | 176.8 | -100.3 | -89.1 | 0 | 0 | 0 | 114.6 | L19 A20 G27 | L19-F23 WeakPolarHBondContact O-CB 3.25Å; L19-F23 PolarHBondContact O-N 2.87Å; A20-F23 PolarHBondContact O-N 3.11Å; F23-G27 WeakPolarHBondContact O-CA 3.24Å; F23-G27 PolarHBondContact O-N 2.83Å; F23-G27 VanDerWaalsContact O-N 3.16Å |
| 24 | L | 46.6 | Very low | 52.3 | Low | 148 Ų | 148 | 96 Ų | 96 | 78% | 0.775 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -84.2 | -26.7 | 176.3 | -80.6 | 161.6 | 0 | 0 | 0 | 113.3 | A20 I22 | A20-L24 WeakPolarHBondContact O-CB 3.35Å; A20-L24 WeakPolarHBondContact O-CD1 3.26Å; A20-L24 VanDerWaalsContact O-CG 3.31Å; A20-L24 WeakPolarHBondContact O-CG 3.32Å; A20-L24 PolarHBondContact O-N 3.42Å; I22-L24 VanDerWaalsContact C-N 3.33Å; I22-L24 PolarHBondContact O-N 3.45Å |
| 25 | L | 45 | Very low | 51.2 | Low | 141 Ų | 141 | 98.7 Ų | 98.7 | 74% | 0.738 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -89.9 | -24.4 | 175.1 | -69.2 | 169.9 | 0 | 0 | 0 | 112.6 | K21 I22 | K21-L25 HydrophobicContact CG-CD1 3.86Å; K21-L25 HydrophobicContact CG-CG 4.42Å; K21-L25 WeakPolarHBondContact O-CB 3.49Å; K21-L25 WeakPolarHBondContact O-CD1 3.47Å; K21-L25 WeakPolarHBondContact O-CG 3.36Å; K21-L25 PolarHBondContact O-N 3.45Å; I22-L25 PolarHBondContact O-N 3.26Å |
| 26 | D | 39.2 | Very low | 50.3 | Low | 119 Ų | 119 | 102 Ų | 102 | 64% | 0.636 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -103.8 | 2.7 | -179.7 | -137.7 | 12.4 | 0 | 0 | 0 | 112 | I22 G28 | I22-D26 WeakPolarHBondContact O-CA 3.33Å; I22-D26 WeakPolarHBondContact O-CB 3.18Å; I22-D26 PolarHBondContact O-N 3.37Å; D26-G28 VanDerWaalsContact C-N 3.28Å; D26-G28 PolarHBondContact O-N 3.29Å |
| 27 | G | 36.9 | Very low | 49.5 | Very low | 65 Ų | 65 | 99.6 Ų | 99.6 | 67% | 0.67 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -79 | 65.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F23 | F23-G27 WeakPolarHBondContact O-CA 3.24Å; F23-G27 PolarHBondContact O-N 2.83Å; F23-G27 VanDerWaalsContact O-N 3.16Å |
| 28 | G | 38.1 | Very low | 49.2 | Very low | 61 Ų | 61 | 98.9 Ų | 98.9 | 63% | 0.629 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 166.2 | -10.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | D26 G30 | D26-G28 VanDerWaalsContact C-N 3.28Å; D26-G28 PolarHBondContact O-N 3.29Å; G28-G30 PolarHBondContact O-N 2.8Å |
| 29 | E | 42 | Very low | 49.3 | Very low | 189 Ų | 189 | 106.8 Ų | 106.8 | 88% | 0.883 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -98.4 | 92.5 | -179.5 | -70.4 | -164 | 156.2 | 0 | 0 | 111.4 | ||
| 30 | G | 43.4 | Very low | 49.4 | Very low | 28 Ų | 28 | 105.5 Ų | 105.5 | 29% | 0.289 | 58% | 0.576 | S | S | . | * | trans | 135.1 | 21 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | G28 R35 | G28-G30 PolarHBondContact O-N 2.8Å; G30-R35 PolarHBondContact O-NE 3.25Å; G30-R35 PolarHBondContact O-NH2 3.5Å | ||
| 31 | S | 47.8 | Very low | 49.9 | Very low | 75 Ų | 75 | 105.9 Ų | 105.9 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | trans | -55.4 | 143.2 | 163.2 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | A33 S34 R35 | S31-A33 PolarHBondContact O-N 2.87Å; S31-A33 VanDerWaalsContact O-N 3.17Å; S31-A33 PolarHBondContact OG-N 3.46Å; S31-S34 PolarHBondContact O-N 2.99Å; S31-R35 PolarHBondContact O-N 2.9Å | ||
| 32 | A | 44.5 | Very low | 50.9 | Low | 67 Ų | 67 | 107 Ų | 107 | 55% | 0.554 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -56.8 | -27.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | R36 | A32-R36 WeakPolarHBondContact O-CB 3.26Å; A32-R36 VanDerWaalsContact O-CG 3.27Å; A32-R36 WeakPolarHBondContact O-CG 3.26Å; A32-R36 PolarHBondContact O-N 2.67Å |
| 33 | A | 43.3 | Very low | 51.7 | Low | 51 Ų | 51 | 106.4 Ų | 106.4 | 42% | 0.421 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.1 | -54.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | S31 R35 R36 D37 | S31-A33 PolarHBondContact O-N 2.87Å; S31-A33 VanDerWaalsContact O-N 3.17Å; S31-A33 PolarHBondContact OG-N 3.46Å; A33-R35 VanDerWaalsContact C-N 3.29Å; A33-R35 PolarHBondContact O-N 3.04Å; A33-R36 WeakPolarHBondContact O-CB 3.31Å; A33-R36 PolarHBondContact O-N 3.16Å; A33-D37 WeakPolarHBondContact O-CB 3.49Å; A33-D37 PolarHBondContact O-N 2.88Å; A33-D37 VanDerWaalsContact O-OD2 3.11Å |
| 34 | S | 50.6 | Low | 52.6 | Low | 54 Ų | 54 | 98.9 Ų | 98.9 | 38% | 0.378 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -56.8 | -38.1 | 177.2 | 170.1 | 0 | 0 | 0 | 0 | 113.2 | S31 D37 L38 | S31-S34 PolarHBondContact O-N 2.99Å; S34-D37 PolarHBondContact O-N 3.24Å; S34-L38 WeakPolarHBondContact O-CB 3.43Å; S34-L38 PolarHBondContact O-N 3.33Å |
| 35 | R | 53.1 | Low | 53.6 | Low | 164 Ų | 164 | 96.4 Ų | 96.4 | 62% | 0.619 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.8 | -34.4 | 174.8 | -81.9 | -174.7 | -101.5 | -172.7 | -9 | 113.7 | G30 S31 A33 R39 | G30-R35 PolarHBondContact O-NE 3.25Å; G30-R35 PolarHBondContact O-NH2 3.5Å; S31-R35 PolarHBondContact O-N 2.9Å; A33-R35 VanDerWaalsContact C-N 3.29Å; A33-R35 PolarHBondContact O-N 3.04Å; R35-R39 WeakPolarHBondContact O-CG 2.96Å; R35-R39 PolarHBondContact O-N 3.08Å |
| 36 | R | 57.5 | Low | 54.7 | Low | 189 Ų | 189 | 93.9 Ų | 93.9 | 71% | 0.713 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.3 | -41.4 | 173.1 | -77.2 | 176.1 | -176 | -169.1 | 1.7 | 110.7 | A32 A33 R39 A40 | A32-R36 WeakPolarHBondContact O-CB 3.26Å; A32-R36 VanDerWaalsContact O-CG 3.27Å; A32-R36 WeakPolarHBondContact O-CG 3.26Å; A32-R36 PolarHBondContact O-N 2.67Å; A33-R36 WeakPolarHBondContact O-CB 3.31Å; A33-R36 PolarHBondContact O-N 3.16Å; R36-R39 PolarHBondContact O-N 2.94Å; R36-A40 WeakPolarHBondContact O-CB 3.47Å; R36-A40 PolarHBondContact O-N 2.89Å |
| 37 | D | 56.6 | Low | 56 | Low | 66 Ų | 66 | 89.6 Ų | 89.6 | 35% | 0.353 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 177.9 | -63.4 | -23.4 | 0 | 0 | 0 | 111.5 | A33 S34 R39 A40 F41 F346 | A33-D37 WeakPolarHBondContact O-CB 3.49Å; A33-D37 PolarHBondContact O-N 2.88Å; A33-D37 VanDerWaalsContact O-OD2 3.11Å; S34-D37 PolarHBondContact O-N 3.24Å; D37-R39 PolarHBondContact O-N 3.03Å; D37-A40 PolarHBondContact O-N 3.24Å; D37-F41 WeakPolarHBondContact O-CB 3.43Å; D37-F41 PolarHBondContact O-N 2.76Å; D37-F346 HydrophobicContact CB-CE1 3.74Å; D37-F346 HydrophobicContact CB-CZ 3.71Å |
| 38 | L | 61.3 | Low | 57.5 | Low | 93 Ų | 93 | 87 Ų | 87 | 49% | 0.487 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.2 | -36 | 176.1 | -153.7 | 86.7 | 0 | 0 | 0 | 112.7 | S34 R42 | S34-L38 WeakPolarHBondContact O-CB 3.43Å; S34-L38 PolarHBondContact O-N 3.33Å; L38-R42 WeakPolarHBondContact O-CG 3.45Å; L38-R42 PolarHBondContact O-N 3.45Å |
| 39 | R | 66.6 | Low | 59.2 | Low | 197 Ų | 197 | 87.2 Ų | 87.2 | 74% | 0.743 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -68.9 | -42.1 | 174.7 | -77.8 | -179 | -177.3 | -162 | 0.8 | 111.6 | R35 R36 D37 F41 R42 K43 | R35-R39 WeakPolarHBondContact O-CG 2.96Å; R35-R39 PolarHBondContact O-N 3.08Å; R36-R39 PolarHBondContact O-N 2.94Å; D37-R39 PolarHBondContact O-N 3.03Å; R39-F41 VanDerWaalsContact C-N 3.3Å; R39-F41 PolarHBondContact O-N 3.37Å; R39-R42 PolarHBondContact O-N 3.25Å; R39-K43 WeakPolarHBondContact O-CB 3.43Å; R39-K43 PolarHBondContact O-N 3.23Å |
| 40 | A | 63.6 | Low | 61 | Low | 59 Ų | 59 | 80 Ų | 80 | 49% | 0.488 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | R36 D37 K43 M44 | R36-A40 WeakPolarHBondContact O-CB 3.47Å; R36-A40 PolarHBondContact O-N 2.89Å; D37-A40 PolarHBondContact O-N 3.24Å; A40-K43 PolarHBondContact O-N 2.68Å; A40-M44 PolarHBondContact O-N 3.11Å |
| 41 | F | 65.4 | Low | 62.7 | Low | 50 Ų | 50 | 82.5 Ų | 82.5 | 22% | 0.219 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 174.6 | -172.7 | -90.2 | 0 | 0 | 0 | 112.6 | D37 R39 K43 M44 E45 I158 V351 | D37-F41 WeakPolarHBondContact O-CB 3.43Å; D37-F41 PolarHBondContact O-N 2.76Å; R39-F41 VanDerWaalsContact C-N 3.3Å; R39-F41 PolarHBondContact O-N 3.37Å; F41-K43 PolarHBondContact O-N 2.89Å; F41-M44 HydrophobicContact CB-CE 4.44Å; F41-M44 HydrophobicContact CD1-CE 4.2Å; F41-M44 HydrophobicContact CD2-CE 3.26Å; F41-M44 HydrophobicContact CE1-CE 4.24Å; F41-M44 HydrophobicContact CE2-CE 3.32Å; F41-M44 HydrophobicContact CG-CE 3.73Å; F41-M44 HydrophobicContact CZ-CE 3.83Å; F41-M44 WeakPolarHBondContact O-CA 3.13Å; F41-M44 VanDerWaalsContact O-CB 3.31Å; F41-M44 WeakPolarHBondContact O-CB 3.46Å; F41-M44 WeakPolarHBondContact O-CE 3.11Å; F41-M44 PolarHBondContact O-N 2.87Å; F41-M44 VanDerWaalsContact O-N 3.08Å; F41-E45 HydrophobicContact CD1-CG 4.33Å; F41-E45 VanDerWaalsContact CE1-CD 3.47Å; F41-E45 HydrophobicContact CE1-CG 3.86Å; F41-E45 WeakPolarHBondContact CE1-OE1 3.24Å; F41-E45 HydrophobicContact CZ-CG 4.34Å; F41-E45 PolarHBondContact O-N 2.96Å; F41-I158 HydrophobicContact CE2-CD1 4.48Å; F41-V351 HydrophobicContact CE2-CG1 3.89Å; F41-V351 HydrophobicContact CZ-CG1 4.17Å |
| 42 | R | 67.9 | Low | 64 | Low | 166 Ų | 166 | 88.2 Ų | 88.2 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 177.4 | -74.7 | -179.4 | -179.7 | 176.9 | 1 | 113 | L38 R39 M44 E45 S46 | L38-R42 WeakPolarHBondContact O-CG 3.45Å; L38-R42 PolarHBondContact O-N 3.45Å; R39-R42 PolarHBondContact O-N 3.25Å; R42-M44 PolarHBondContact O-N 3.22Å; R42-E45 PolarHBondContact O-N 2.88Å; R42-S46 PolarHBondContact O-N 2.68Å; R42-S46 PolarHBondContact O-OG 3.39Å |
| 43 | K | 68.8 | Low | 65.2 | Low | 87 Ų | 87 | 87.4 Ų | 87.4 | 38% | 0.378 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 173.6 | -171.8 | 178.1 | -179.3 | -173 | 0 | 110.6 | R39 A40 F41 S46 G47 E80 | R39-K43 WeakPolarHBondContact O-CB 3.43Å; R39-K43 PolarHBondContact O-N 3.23Å; A40-K43 PolarHBondContact O-N 2.68Å; F41-K43 PolarHBondContact O-N 2.89Å; K43-S46 PolarHBondContact O-OG 2.81Å; K43-G47 PolarHBondContact O-N 2.81Å; K43-E80 WeakPolarHBondContact CE-OE1 3.38Å; K43-E80 IonicContact NZ-OE1 3.12Å; K43-E80 PolarHBondContact NZ-OE1 3.5Å |
| 44 | M | 67.3 | Low | 66.9 | Low | 7 Ų | 7 | 86 Ų | 86 | 3% | 0.034 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.9 | -55.3 | 172 | 171 | -107.6 | -25.6 | 0 | 0 | 112.5 | A40 F41 R42 S46 G47 L48 R157 I158 | A40-M44 PolarHBondContact O-N 3.11Å; F41-M44 HydrophobicContact CB-CE 4.44Å; F41-M44 HydrophobicContact CD1-CE 4.2Å; F41-M44 HydrophobicContact CD2-CE 3.26Å; F41-M44 HydrophobicContact CE1-CE 4.24Å; F41-M44 HydrophobicContact CE2-CE 3.32Å; F41-M44 HydrophobicContact CG-CE 3.73Å; F41-M44 HydrophobicContact CZ-CE 3.83Å; F41-M44 WeakPolarHBondContact O-CA 3.13Å; F41-M44 VanDerWaalsContact O-CB 3.31Å; F41-M44 WeakPolarHBondContact O-CB 3.46Å; F41-M44 WeakPolarHBondContact O-CE 3.11Å; F41-M44 PolarHBondContact O-N 2.87Å; F41-M44 VanDerWaalsContact O-N 3.08Å; R42-M44 PolarHBondContact O-N 3.22Å; M44-S46 PolarHBondContact O-N 2.97Å; M44-G47 CarbonylContact O-C 3.27Å; M44-G47 WeakPolarHBondContact O-CA 3.47Å; M44-G47 PolarHBondContact O-N 3.25Å; M44-L48 HydrophobicContact CG-CG 4.36Å; M44-L48 PolarHBondContact O-N 3.47Å; M44-L48 VanDerWaalsContact O-N 3.17Å; M44-L48 HydrophobicContact SD-CD1 3.67Å; M44-L48 HydrophobicContact SD-CD2 4.4Å; M44-L48 HydrophobicContact SD-CG 4.09Å; M44-R157 HydrophobicContact CB-CB 4.33Å; M44-R157 HydrophobicContact CG-CB 3.86Å; M44-I158 HydrophobicContact CB-CG1 4.24Å; M44-I158 HydrophobicContact CE-CD1 3.14Å; M44-I158 HydrophobicContact CE-CG1 3.69Å; M44-I158 HydrophobicContact CG-CD1 4.13Å; M44-I158 HydrophobicContact CG-CG1 3.64Å; M44-I158 HydrophobicContact SD-CD1 3.42Å; M44-I158 WeakPolarHBondContact SD-CD1 3.41Å; M44-I158 HydrophobicContact SD-CG1 3.66Å |
| 45 | E | 66.3 | Low | 68.2 | Low | 97 Ų | 97 | 89.9 Ų | 89.9 | 45% | 0.453 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -54.1 | -40.7 | -179.5 | -78.2 | -172.8 | 144.9 | 0 | 0 | 111.8 | F41 R42 G47 L48 | F41-E45 HydrophobicContact CD1-CG 4.33Å; F41-E45 VanDerWaalsContact CE1-CD 3.47Å; F41-E45 HydrophobicContact CE1-CG 3.86Å; F41-E45 WeakPolarHBondContact CE1-OE1 3.24Å; F41-E45 HydrophobicContact CZ-CG 4.34Å; F41-E45 PolarHBondContact O-N 2.96Å; R42-E45 PolarHBondContact O-N 2.88Å; E45-G47 PolarHBondContact O-N 2.98Å; E45-L48 PolarHBondContact O-N 3.28Å |
| 46 | S | 67.6 | Low | 69.5 | Low | 87 Ų | 87 | 84.4 Ų | 84.4 | 61% | 0.608 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.4 | -24.3 | 177.1 | 71.4 | 0 | 0 | 0 | 0 | 114.2 | R42 K43 M44 | R42-S46 PolarHBondContact O-N 2.68Å; R42-S46 PolarHBondContact O-OG 3.39Å; K43-S46 PolarHBondContact O-OG 2.81Å; M44-S46 PolarHBondContact O-N 2.97Å |
| 47 | G | 66.5 | Low | 70 | Confident | 29 Ų | 29 | 80.6 Ų | 80.6 | 30% | 0.299 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -94.7 | -6.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K43 M44 E45 | K43-G47 PolarHBondContact O-N 2.81Å; M44-G47 CarbonylContact O-C 3.27Å; M44-G47 WeakPolarHBondContact O-CA 3.47Å; M44-G47 PolarHBondContact O-N 3.25Å; E45-G47 PolarHBondContact O-N 2.98Å |
| 48 | L | 69.6 | Low | 70.3 | Confident | 12 Ų | 12 | 85.8 Ų | 85.8 | 6% | 0.063 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -76.2 | -29.5 | 177.6 | -69.2 | 176.3 | 0 | 0 | 0 | 112.4 | M44 E45 L156 A355 Q358 | M44-L48 HydrophobicContact CG-CG 4.36Å; M44-L48 PolarHBondContact O-N 3.47Å; M44-L48 VanDerWaalsContact O-N 3.17Å; M44-L48 HydrophobicContact SD-CD1 3.67Å; M44-L48 HydrophobicContact SD-CD2 4.4Å; M44-L48 HydrophobicContact SD-CG 4.09Å; E45-L48 PolarHBondContact O-N 3.28Å; L48-L156 HydrophobicContact CD2-CD1 4.38Å; L48-L156 HydrophobicContact CD2-CG 3.91Å; L48-A355 HydrophobicContact CD1-CB 3.61Å; L48-A355 HydrophobicContact CD2-CB 4.41Å; L48-Q358 HydrophobicContact CB-CG 4.35Å |
| 49 | S | 73.5 | Confident | 70.6 | Confident | 64 Ų | 64 | 84.2 Ų | 84.2 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -92.5 | 109.6 | 179.5 | -63.9 | 0 | 0 | 0 | 0 | 110.3 | Q358 | S49-Q358 PolarHBondContact OG-NE2 3.07Š|
| 50 | L | 80.3 | Confident | 71 | Confident | 38 Ų | 38 | 83.9 Ų | 83.9 | 20% | 0.199 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 136.4 | 172.1 | -65.2 | 179.4 | 0 | 0 | 0 | 110.4 | R52 L84 A85 L88 F362 | L50-R52 PolarHBondContact O-N 2.92Å; L50-L84 HydrophobicContact CD1-CD2 4.07Å; L50-L84 HydrophobicContact CD1-CG 4.31Å; L50-L84 HydrophobicContact CD2-CD2 4.11Å; L50-A85 HydrophobicContact CB-CB 3.97Å; L50-A85 HydrophobicContact CD2-CB 4.25Å; L50-A85 HydrophobicContact CG-CB 4.48Å; L50-L88 HydrophobicContact CD1-CD1 3.83Å; L50-F362 HydrophobicContact CB-CB 4.29Å; L50-F362 HydrophobicContact CB-CD1 4.31Å; L50-F362 HydrophobicContact CB-CD2 3.46Å; L50-F362 VanDerWaalsContact CB-CD2 3.46Å; L50-F362 HydrophobicContact CB-CE2 3.79Å; L50-F362 HydrophobicContact CB-CG 3.75Å; L50-F362 HydrophobicContact CB-CZ 4.35Å; L50-F362 HydrophobicContact CD1-CD1 3.9Å; L50-F362 HydrophobicContact CD1-CE1 4.11Å; L50-F362 HydrophobicContact CD1-CG 4.13Å; L50-F362 HydrophobicContact CG-CG 4.5Å |
| 51 | P | 78.6 | Confident | 71.9 | Confident | 81 Ų | 81 | 85.1 Ų | 85.1 | 53% | 0.526 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -66 | 128 | 177.2 | 25 | -32 | 0 | 0 | 0 | 110.7 | A54 A85 F362 | P51-A54 HydrophobicContact CG-CB 4.21Å; P51-A85 HydrophobicContact CG-CB 3.96Å; P51-F362 WeakPolarHBondContact O-CE2 3.36Å |
| 52 | R | 74.1 | Confident | 73 | Confident | 195 Ų | 195 | 84.4 Ų | 84.4 | 74% | 0.736 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 142.6 | 174.1 | -69.3 | -175.9 | 179 | 174.5 | -0.9 | 110.7 | L50 A54 A361 F362 | L50-R52 PolarHBondContact O-N 2.92Å; R52-A54 VanDerWaalsContact C-N 3.27Å; R52-A54 PolarHBondContact O-N 2.84Å; R52-A361 PolarHBondContact NH2-O 2.96Å; R52-F362 HydrophobicContact CG-CD2 4.4Å |
| 53 | G | 69.9 | Low | 74.2 | Confident | 49 Ų | 49 | 77.6 Ų | 77.6 | 51% | 0.505 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 27.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | H55 | G53-H55 PolarHBondContact O-CD2 2.91Å; G53-H55 PolarHBondContact O-N 3.36Å; G53-H55 PolarHBondContact O-NE2 2.61Å |
| 54 | A | 79.3 | Confident | 75.4 | Confident | 21 Ų | 21 | 74.2 Ų | 74.2 | 17% | 0.174 | 41% | 0.411 | C | S | . | . | trans | -66.5 | 132.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P51 R52 A85 A86 | P51-A54 HydrophobicContact CG-CB 4.21Å; R52-A54 VanDerWaalsContact C-N 3.27Å; R52-A54 PolarHBondContact O-N 2.84Å; A54-A85 HydrophobicContact CB-CB 3.64Å; A54-A86 HydrophobicContact CB-CB 4.17Å; A54-A86 WeakPolarHBondContact O-CA 3.29Å | ||
| 55 | H | 78.7 | Confident | 76.6 | Confident | 136 Ų | 136 | 78.6 Ų | 78.6 | 63% | 0.63 | 43% | 0.431 | S | S | * | . | trans | -129.7 | 149.9 | 177 | -63.9 | -65.2 | 0 | 0 | 0 | 109.4 | G53 T57 | G53-H55 PolarHBondContact O-CD2 2.91Å; G53-H55 PolarHBondContact O-N 3.36Å; G53-H55 PolarHBondContact O-NE2 2.61Å; H55-T57 PolarHBondContact O-N 3.3Å; H55-T57 VanDerWaalsContact O-N 3.13Å | ||
| 56 | L | 80.6 | Confident | 77.8 | Confident | 49 Ų | 49 | 74.5 Ų | 74.5 | 26% | 0.257 | 41% | 0.412 | S | S | . | . | trans | -71.9 | 104.1 | 171.8 | -63.4 | 173.3 | 0 | 0 | 0 | 108.1 | P63 I66 E83 A86 | L56-P63 HydrophobicContact CD1-CB 3.84Å; L56-P63 HydrophobicContact CD1-CG 4.42Å; L56-I66 HydrophobicContact CD1-CD1 3.73Å; L56-I66 HydrophobicContact CD2-CD1 3.8Å; L56-I66 HydrophobicContact CG-CD1 4.43Å; L56-E83 HydrophobicContact CD2-CB 4.06Å; L56-E83 HydrophobicContact CD2-CG 4.08Å; L56-A86 HydrophobicContact CD2-CB 3.91Å; L56-A86 HydrophobicContact CG-CB 4.04Å | ||
| 57 | T | 66.7 | Low | 79 | Confident | 110 Ų | 110 | 70.6 Ų | 70.6 | 68% | 0.675 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -91.1 | -14.3 | -174.3 | 48.5 | 0 | 0 | 0 | 0 | 113.8 | H55 | H55-T57 PolarHBondContact O-N 3.3Å; H55-T57 VanDerWaalsContact O-N 3.13Å |
| 58 | H | 64.6 | Low | 80.3 | Confident | 175 Ų | 175 | 71.4 Ų | 71.4 | 81% | 0.81 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -141.8 | 24.5 | -168.9 | -64.7 | -65.5 | 0 | 0 | 0 | 115.1 | ||
| 59 | T | 65.8 | Low | 81.4 | Confident | 60 Ų | 60 | 76.8 Ų | 76.8 | 37% | 0.368 | 41% | 0.411 | S | S | . | . | trans | -126.2 | 130.5 | 179.9 | 64 | 0 | 0 | 0 | 0 | 111.4 | Q61 I66 | T59-Q61 PolarHBondContact OG1-O 3.02Å; T59-I66 HydrophobicContact CG2-CD1 4.32Å | ||
| 60 | L | 75.8 | Confident | 82.3 | Confident | 190 Ų | 190 | 75.4 Ų | 75.4 | 100% | 0.995 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -74 | -13 | 163.8 | -69.1 | 172.2 | 0 | 0 | 0 | 111.9 | ||
| 61 | Q | 81.7 | Confident | 82.9 | Confident | 84 Ų | 84 | 74.2 Ų | 74.2 | 39% | 0.393 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -75.4 | 144.4 | 179 | -68.4 | 177.1 | -42.9 | 0 | 0 | 111.3 | T59 E65 I66 | T59-Q61 PolarHBondContact OG1-O 3.02Å; Q61-E65 WeakPolarHBondContact CA-OE2 3.18Å; Q61-I66 HydrophobicContact CB-CD1 4.47Å; Q61-I66 HydrophobicContact CB-CG1 4.12Å |
| 62 | S | 89.9 | Confident | 83.4 | Confident | 35 Ų | 35 | 71 Ų | 71 | 25% | 0.245 | 37% | 0.372 | C | S | . | . | trans | -70.4 | 151.7 | 173.5 | 87.7 | 0 | 0 | 0 | 0 | 110.6 | W64 E65 I66 | S62-W64 PolarHBondContact O-N 3.12Å; S62-W64 VanDerWaalsContact O-N 3.11Å; S62-W64 PolarHBondContact OG-N 2.89Å; S62-E65 PolarHBondContact N-OE2 2.83Å; S62-E65 PolarHBondContact O-N 3.48Å; S62-E65 VanDerWaalsContact O-N 3.14Å; S62-E65 WeakPolarHBondContact OG-CG 3.33Å; S62-E65 PolarHBondContact OG-N 2.86Å; S62-E65 VanDerWaalsContact OG-N 3.09Å; S62-I66 PolarHBondContact O-N 2.91Å | ||
| 63 | P | 92.4 | Very high | 84.1 | Confident | 23 Ų | 23 | 64.6 Ų | 64.6 | 15% | 0.149 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.3 | -26.8 | 174.3 | 21.8 | -32 | 0 | 0 | 0 | 112.7 | L56 A67 V87 | L56-P63 HydrophobicContact CD1-CB 3.84Å; L56-P63 HydrophobicContact CD1-CG 4.42Å; P63-A67 WeakPolarHBondContact O-CB 3.22Å; P63-A67 PolarHBondContact O-N 2.8Å; P63-A67 VanDerWaalsContact O-N 3.11Å; P63-V87 HydrophobicContact CB-CG2 4.16Å |
| 64 | W | 93.6 | Very high | 84.9 | Confident | 17 Ų | 17 | 63.9 Ų | 63.9 | 6% | 0.064 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -75.7 | -37.8 | 179.9 | -37.6 | 137.1 | 0 | 0 | 0 | 112.2 | S62 A67 S68 L91 A94 L114 D115 Q118 L225 | S62-W64 PolarHBondContact O-N 3.12Å; S62-W64 VanDerWaalsContact O-N 3.11Å; S62-W64 PolarHBondContact OG-N 2.89Å; W64-A67 PolarHBondContact O-N 3.1Å; W64-S68 VanDerWaalsContact O-CB 3.27Å; W64-S68 WeakPolarHBondContact O-CB 3.45Å; W64-S68 PolarHBondContact O-N 3.38Å; W64-L91 HydrophobicContact CZ3-CB 4.37Å; W64-L91 HydrophobicContact CZ3-CD1 4.38Å; W64-A94 HydrophobicContact CH2-CB 4.15Å; W64-A94 HydrophobicContact CZ2-CB 3.8Å; W64-L114 HydrophobicContact CH2-CD1 4.15Å; W64-L114 HydrophobicContact CZ2-CB 4.47Å; W64-L114 HydrophobicContact CZ2-CD1 4.19Å; W64-D115 PolarHBondContact NE1-O 3.09Å; W64-Q118 HydrophobicContact CB-CB 4.16Å; W64-Q118 HydrophobicContact CB-CG 4.08Å; W64-Q118 VanDerWaalsContact CD1-CB 3.48Å; W64-Q118 HydrophobicContact CD2-CB 3.93Å; W64-Q118 HydrophobicContact CD2-CG 3.87Å; W64-Q118 HydrophobicContact CE3-CG 4.28Å; W64-Q118 HydrophobicContact CG-CB 3.59Å; W64-Q118 HydrophobicContact CG-CG 3.77Å; W64-L225 HydrophobicContact CE3-CD1 4.36Å |
| 65 | E | 92.3 | Very high | 85.4 | Confident | 98 Ų | 98 | 65.7 Ų | 65.7 | 46% | 0.458 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 174.7 | -72.9 | 169.1 | 171 | 0 | 0 | 111 | Q61 S62 S68 Q69 | Q61-E65 WeakPolarHBondContact CA-OE2 3.18Å; S62-E65 PolarHBondContact N-OE2 2.83Å; S62-E65 PolarHBondContact O-N 3.48Å; S62-E65 VanDerWaalsContact O-N 3.14Å; S62-E65 WeakPolarHBondContact OG-CG 3.33Å; S62-E65 PolarHBondContact OG-N 2.86Å; S62-E65 VanDerWaalsContact OG-N 3.09Å; E65-S68 PolarHBondContact O-N 2.93Å; E65-Q69 VanDerWaalsContact O-CG 3.29Å; E65-Q69 WeakPolarHBondContact O-CG 3.26Å; E65-Q69 PolarHBondContact O-N 2.89Å |
| 66 | I | 92.5 | Very high | 86 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 6% | 0.056 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.8 | -50.7 | 175.1 | -63.9 | 171.5 | 0 | 0 | 0 | 109.7 | L56 T59 Q61 S62 S68 Q69 W70 E83 | L56-I66 HydrophobicContact CD1-CD1 3.73Å; L56-I66 HydrophobicContact CD2-CD1 3.8Å; L56-I66 HydrophobicContact CG-CD1 4.43Å; T59-I66 HydrophobicContact CG2-CD1 4.32Å; Q61-I66 HydrophobicContact CB-CD1 4.47Å; Q61-I66 HydrophobicContact CB-CG1 4.12Å; S62-I66 PolarHBondContact O-N 2.91Å; I66-S68 VanDerWaalsContact C-N 3.31Å; I66-S68 PolarHBondContact O-N 3.32Å; I66-Q69 PolarHBondContact O-N 2.89Å; I66-W70 HydrophobicContact CG2-CH2 4.32Å; I66-W70 HydrophobicContact CG2-CZ2 3.49Å; I66-W70 VanDerWaalsContact CG2-CZ2 3.49Å; I66-W70 PolarHBondContact O-N 3.19Å; I66-E83 HydrophobicContact CG2-CB 4.35Å; I66-E83 HydrophobicContact CG2-CG 4.49Å |
| 67 | A | 93.3 | Very high | 86.4 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 5% | 0.05 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.1 | -35.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P63 W64 W70 V87 L166 L225 | P63-A67 WeakPolarHBondContact O-CB 3.22Å; P63-A67 PolarHBondContact O-N 2.8Å; P63-A67 VanDerWaalsContact O-N 3.11Å; W64-A67 PolarHBondContact O-N 3.1Å; A67-W70 HydrophobicContact CB-CE3 4.12Å; A67-W70 HydrophobicContact CB-CZ3 4.18Å; A67-W70 WeakPolarHBondContact O-CB 3.35Å; A67-W70 PolarHBondContact O-N 2.82Å; A67-V87 HydrophobicContact CB-CG1 4.07Å; A67-L166 HydrophobicContact CB-CD1 4.22Å; A67-L225 HydrophobicContact CB-CD2 3.82Å |
| 68 | S | 93.3 | Very high | 87.4 | Confident | 45 Ų | 45 | 53.7 Ų | 53.7 | 32% | 0.315 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65 | -40 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | W64 E65 I66 W70 V71 P228 | W64-S68 VanDerWaalsContact O-CB 3.27Å; W64-S68 WeakPolarHBondContact O-CB 3.45Å; W64-S68 PolarHBondContact O-N 3.38Å; E65-S68 PolarHBondContact O-N 2.93Å; I66-S68 VanDerWaalsContact C-N 3.31Å; I66-S68 PolarHBondContact O-N 3.32Å; S68-W70 PolarHBondContact O-N 2.88Å; S68-V71 PolarHBondContact O-N 2.99Å; S68-P228 VanDerWaalsContact OG-CB 3.25Å; S68-P228 WeakPolarHBondContact OG-CB 3.45Å |
| 69 | Q | 92.8 | Very high | 88.3 | Confident | 126 Ų | 126 | 49.6 Ų | 49.6 | 59% | 0.589 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -68 | -19.2 | 179.3 | -71.6 | 167.6 | 20.7 | 0 | 0 | 113.5 | E65 I66 V71 | E65-Q69 VanDerWaalsContact O-CG 3.29Å; E65-Q69 WeakPolarHBondContact O-CG 3.26Å; E65-Q69 PolarHBondContact O-N 2.89Å; I66-Q69 PolarHBondContact O-N 2.89Å; Q69-V71 VanDerWaalsContact C-N 3.35Å |
| 70 | W | 92.8 | Very high | 89.1 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 13% | 0.129 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -24.8 | 177.2 | -65.5 | -18.7 | 0 | 0 | 0 | 114.1 | I66 A67 S68 G72 V76 P78 T81 E83 L84 V87 L166 | I66-W70 HydrophobicContact CG2-CH2 4.32Å; I66-W70 HydrophobicContact CG2-CZ2 3.49Å; I66-W70 VanDerWaalsContact CG2-CZ2 3.49Å; I66-W70 PolarHBondContact O-N 3.19Å; A67-W70 HydrophobicContact CB-CE3 4.12Å; A67-W70 HydrophobicContact CB-CZ3 4.18Å; A67-W70 WeakPolarHBondContact O-CB 3.35Å; A67-W70 PolarHBondContact O-N 2.82Å; S68-W70 PolarHBondContact O-N 2.88Å; W70-G72 PolarHBondContact O-N 2.85Å; W70-V76 CarbonylContact C-O 3.58Å; W70-P78 HydrophobicContact CG-CG 4.35Å; W70-T81 HydrophobicContact CD2-CG2 4.34Å; W70-T81 HydrophobicContact CE3-CG2 4.48Å; W70-T81 HydrophobicContact CH2-CG2 4.47Å; W70-T81 HydrophobicContact CZ2-CG2 4.28Å; W70-E83 HydrophobicContact CH2-CB 4.45Å; W70-E83 HydrophobicContact CZ2-CB 4.06Å; W70-L84 HydrophobicContact CZ3-CD1 4.38Å; W70-V87 HydrophobicContact CH2-CB 4.33Å; W70-V87 HydrophobicContact CH2-CG2 3.73Å; W70-V87 HydrophobicContact CZ2-CG2 4.5Å; W70-V87 HydrophobicContact CZ3-CG2 4.31Å; W70-L166 HydrophobicContact CZ3-CD1 3.99Å |
| 71 | V | 92.6 | Very high | 89.5 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | trans | -73.2 | 124.3 | -171.9 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | S68 Q69 V76 L227 P228 W231 F298 | S68-V71 PolarHBondContact O-N 2.99Å; Q69-V71 VanDerWaalsContact C-N 3.35Å; V71-V76 HydrophobicContact CG2-CG1 4.31Å; V71-L227 HydrophobicContact CG2-CD2 4.4Å; V71-P228 HydrophobicContact CB-CG 4.2Å; V71-P228 HydrophobicContact CG2-CG 4.02Å; V71-W231 HydrophobicContact CG1-CB 4.4Å; V71-W231 HydrophobicContact CG1-CD2 4.32Å; V71-W231 HydrophobicContact CG1-CG 3.82Å; V71-W231 PolarHBondContact O-NE1 3.37Å; V71-F298 HydrophobicContact CG1-CE1 4.27Å; V71-F298 HydrophobicContact CG1-CE2 3.95Å; V71-F298 HydrophobicContact CG1-CZ 3.49Å; V71-F298 VanDerWaalsContact CG1-CZ 3.49Å | ||
| 72 | G | 89.8 | Confident | 89.6 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -134.5 | 177.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | W70 R74 E75 F298 | W70-G72 PolarHBondContact O-N 2.85Å; G72-R74 PolarHBondContact O-N 3.31Å; G72-R74 VanDerWaalsContact O-N 3.09Å; G72-E75 PolarHBondContact N-O 2.81Å; G72-E75 VanDerWaalsContact O-O 3.05Å; G72-F298 VanDerWaalsContact O-CE2 3.29Å; G72-F298 WeakPolarHBondContact O-CE2 3.3Å |
| 73 | P | 87 | Confident | 89.6 | Confident | 61 Ų | 61 | 47.1 Ų | 47.1 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.3 | -174.8 | -23.4 | 31.7 | 0 | 0 | 0 | 114.9 | W231 M306 | P73-W231 HydrophobicContact CG-CH2 3.61Å; P73-W231 HydrophobicContact CG-CZ3 4.05Å; P73-M306 WeakPolarHBondContact O-CG 3.45Å; P73-M306 PolarHBondContact O-N 2.76Å |
| 74 | R | 87.7 | Confident | 89.5 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 13% | 0.125 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | 2.8 | -171.6 | -63.2 | -58.1 | -54.7 | -178.3 | -0.3 | 114.6 | G72 D276 A304 M306 M406 L408 | G72-R74 PolarHBondContact O-N 3.31Å; G72-R74 VanDerWaalsContact O-N 3.09Å; R74-D276 IonicContact CZ-OD1 2.97Å; R74-D276 IonicContact CZ-OD2 3.8Å; R74-D276 VanDerWaalsContact CZ-OD2 3.29Å; R74-D276 IonicContact NH1-OD2 3.39Å; R74-D276 PolarHBondContact NH1-OD2 2.81Å; R74-D276 VanDerWaalsContact NH2-CG 3.3Å; R74-D276 IonicContact NH2-OD1 2.72Å; R74-D276 PolarHBondContact NH2-OD1 3.28Å; R74-D276 IonicContact NH2-OD2 2.83Å; R74-D276 PolarHBondContact NH2-OD2 2.89Å; R74-A304 WeakPolarHBondContact CD-O 3.36Å; R74-A304 PolarHBondContact NH1-O 3.37Å; R74-M306 VanDerWaalsContact NH1-CA 3.3Å; R74-M406 HydrophobicContact CG-CE 4.17Å; R74-L408 HydrophobicContact CG-CD2 4.02Å |
| 75 | E | 89.7 | Confident | 89.4 | Confident | 60 Ų | 60 | 45.6 Ų | 45.6 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -156 | 142.3 | 172.6 | 58 | -174.5 | -168 | 0 | 0 | 110.6 | G72 R162 M306 | G72-E75 PolarHBondContact N-O 2.81Å; G72-E75 VanDerWaalsContact O-O 3.05Å; E75-R162 CarbonylContact C-O 3.59Å; E75-R162 WeakPolarHBondContact CA-O 3.4Å; E75-R162 HydrophobicContact CB-CB 4.23Å; E75-R162 IonicContact OE2-CZ 2.57Å; E75-R162 IonicContact OE2-NE 3.63Å; E75-R162 PolarHBondContact OE2-NE 2.89Å; E75-R162 VanDerWaalsContact OE2-NE 3.1Å; E75-R162 IonicContact OE2-NH2 3.63Å; E75-R162 PolarHBondContact OE2-NH2 2.81Å; E75-M306 VanDerWaalsContact CA-CE 3.41Å |
| 76 | V | 91.2 | Very high | 89.4 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -82.7 | -28.7 | 174.5 | 178.9 | 0 | 0 | 0 | 0 | 110 | W70 V71 R162 L227 M306 | W70-V76 CarbonylContact C-O 3.58Å; V71-V76 HydrophobicContact CG2-CG1 4.31Å; V76-R162 PolarHBondContact N-O 3.05Å; V76-L227 HydrophobicContact CG1-CD2 3.96Å; V76-M306 HydrophobicContact CG2-CE 3.63Å |
| 77 | Y | 89.9 | Confident | 89.4 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -148 | 149.3 | 177 | 50.4 | -96.5 | 0 | 0 | 0 | 111.3 | F151 D154 I155 R162 A164 L166 | Y77-F151 HydrophobicContact CE1-CE2 4.15Å; Y77-D154 PolarHBondContact OH-OD2 3.07Å; Y77-I155 HydrophobicContact CD2-CD1 3.86Å; Y77-I155 HydrophobicContact CD2-CG1 4.28Å; Y77-I155 HydrophobicContact CE1-CD1 4.26Å; Y77-I155 HydrophobicContact CE2-CB 3.97Å; Y77-I155 HydrophobicContact CE2-CD1 3.34Å; Y77-I155 HydrophobicContact CE2-CG1 3.4Å; Y77-I155 WeakPolarHBondContact OH-CA 3.47Å; Y77-I155 WeakPolarHBondContact OH-CB 3.48Å; Y77-I155 PolarHBondContact OH-N 2.92Å; Y77-I155 VanDerWaalsContact OH-N 3.16Å; Y77-R162 HydrophobicContact CD2-CB 4.05Å; Y77-R162 HydrophobicContact CD2-CG 4.05Å; Y77-R162 HydrophobicContact CE2-CB 3.62Å; Y77-R162 HydrophobicContact CE2-CG 3.48Å; Y77-R162 VanDerWaalsContact CE2-CG 3.48Å; Y77-R162 WeakPolarHBondContact O-CD 3.13Å; Y77-R162 PolarHBondContact O-NE 2.99Å; Y77-R162 WeakPolarHBondContact OH-CA 3.34Å; Y77-A164 WeakPolarHBondContact CE1-O 3.44Å; Y77-L166 HydrophobicContact CD1-CD2 3.9Å; Y77-L166 HydrophobicContact CE1-CD2 4.32Å |
| 78 | P | 88.1 | Confident | 89.5 | Confident | 35 Ų | 35 | 40.5 Ų | 40.5 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | trans | -71.3 | 163.5 | -178.2 | 21.6 | -26.8 | 0 | 0 | 0 | 112.6 | W70 E80 T81 | W70-P78 HydrophobicContact CG-CG 4.35Å; P78-E80 VanDerWaalsContact C-N 3.26Å; P78-E80 PolarHBondContact O-N 3.44Å; P78-T81 HydrophobicContact CB-CG2 4.43Å; P78-T81 VanDerWaalsContact CD-CG2 3.47Å; P78-T81 HydrophobicContact CG-CG2 3.54Å; P78-T81 WeakPolarHBondContact O-CG2 3.43Å | ||
| 79 | E | 81.7 | Confident | 89.5 | Confident | 88 Ų | 88 | 39.2 Ų | 39.2 | 41% | 0.411 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -64.6 | -30.8 | 177.6 | -174.4 | -179.2 | 158.5 | 0 | 0 | 112.9 | R157 | E79-R157 PolarHBondContact O-NH2 3.38Š|
| 80 | E | 82.6 | Confident | 89.6 | Confident | 121 Ų | 121 | 34.4 Ų | 34.4 | 57% | 0.565 | 19% | 0.187 | S | C | * | . | trans | -109.7 | 104.4 | 174 | -72.5 | -178.7 | -169.4 | 0 | 0 | 108.9 | K43 P78 | K43-E80 WeakPolarHBondContact CE-OE1 3.38Å; K43-E80 IonicContact NZ-OE1 3.12Å; K43-E80 PolarHBondContact NZ-OE1 3.5Å; P78-E80 VanDerWaalsContact C-N 3.26Å; P78-E80 PolarHBondContact O-N 3.44Å | ||
| 81 | T | 84.3 | Confident | 89.7 | Confident | 24 Ų | 24 | 32.8 Ų | 32.8 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | trans | -126.8 | 74.1 | -177.7 | 33.8 | 0 | 0 | 0 | 0 | 110.5 | W70 P78 E83 L84 | W70-T81 HydrophobicContact CD2-CG2 4.34Å; W70-T81 HydrophobicContact CE3-CG2 4.48Å; W70-T81 HydrophobicContact CH2-CG2 4.47Å; W70-T81 HydrophobicContact CZ2-CG2 4.28Å; P78-T81 HydrophobicContact CB-CG2 4.43Å; P78-T81 VanDerWaalsContact CD-CG2 3.47Å; P78-T81 HydrophobicContact CG-CG2 3.54Å; P78-T81 WeakPolarHBondContact O-CG2 3.43Å; T81-E83 PolarHBondContact O-N 3.18Å; T81-L84 VanDerWaalsContact O-CB 3.26Å; T81-L84 WeakPolarHBondContact O-CB 3.43Å; T81-L84 PolarHBondContact O-N 3.44Å; T81-L84 VanDerWaalsContact O-N 3.16Å | ||
| 82 | P | 85.1 | Confident | 89.9 | Confident | 103 Ų | 103 | 33.2 Ų | 33.2 | 67% | 0.669 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -28 | -178.9 | 20.8 | -27 | 0 | 0 | 0 | 113.4 | ||
| 83 | E | 89.8 | Confident | 90.1 | Very high | 69 Ų | 69 | 37.2 Ų | 37.2 | 32% | 0.322 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -5.6 | 179.6 | -52.1 | 75.5 | -169.3 | 0 | 0 | 113.6 | L56 I66 W70 T81 A85 A86 V87 | L56-E83 HydrophobicContact CD2-CB 4.06Å; L56-E83 HydrophobicContact CD2-CG 4.08Å; I66-E83 HydrophobicContact CG2-CB 4.35Å; I66-E83 HydrophobicContact CG2-CG 4.49Å; W70-E83 HydrophobicContact CH2-CB 4.45Å; W70-E83 HydrophobicContact CZ2-CB 4.06Å; T81-E83 PolarHBondContact O-N 3.18Å; E83-A85 VanDerWaalsContact C-N 3.3Å; E83-A85 PolarHBondContact O-N 3.06Å; E83-A86 WeakPolarHBondContact O-CA 3.48Å; E83-A86 WeakPolarHBondContact O-CB 3.22Å; E83-A86 PolarHBondContact O-N 3.36Å; E83-V87 PolarHBondContact O-N 2.93Å |
| 84 | L | 89.9 | Confident | 90.6 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53.4 | -46.5 | -177 | 177.6 | 66.7 | 0 | 0 | 0 | 112.3 | L50 W70 T81 A86 V87 L88 F151 I155 L166 | L50-L84 HydrophobicContact CD1-CD2 4.07Å; L50-L84 HydrophobicContact CD1-CG 4.31Å; L50-L84 HydrophobicContact CD2-CD2 4.11Å; W70-L84 HydrophobicContact CZ3-CD1 4.38Å; T81-L84 VanDerWaalsContact O-CB 3.26Å; T81-L84 WeakPolarHBondContact O-CB 3.43Å; T81-L84 PolarHBondContact O-N 3.44Å; T81-L84 VanDerWaalsContact O-N 3.16Å; L84-A86 PolarHBondContact O-N 3.17Å; L84-V87 PolarHBondContact O-N 3.08Å; L84-L88 HydrophobicContact CD1-CD1 4.08Å; L84-L88 HydrophobicContact CD1-CG 4.06Å; L84-L88 HydrophobicContact CG-CD1 3.98Å; L84-L88 HydrophobicContact CG-CG 4.31Å; L84-L88 WeakPolarHBondContact O-CG 3.35Å; L84-L88 PolarHBondContact O-N 3.25Å; L84-F151 HydrophobicContact CD1-CZ 4.42Å; L84-I155 HydrophobicContact CD1-CD1 4.18Å; L84-I155 HydrophobicContact CD2-CD1 3.36Å; L84-I155 HydrophobicContact CD2-CG1 4.41Å; L84-I155 HydrophobicContact CG-CD1 4.4Å; L84-L166 HydrophobicContact CD1-CD1 4.47Å; L84-L166 HydrophobicContact CD1-CD2 3.76Å |
| 85 | A | 90.5 | Very high | 91 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -38.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L50 P51 A54 E83 T89 F362 | L50-A85 HydrophobicContact CB-CB 3.97Å; L50-A85 HydrophobicContact CD2-CB 4.25Å; L50-A85 HydrophobicContact CG-CB 4.48Å; P51-A85 HydrophobicContact CG-CB 3.96Å; A54-A85 HydrophobicContact CB-CB 3.64Å; E83-A85 VanDerWaalsContact C-N 3.3Å; E83-A85 PolarHBondContact O-N 3.06Å; A85-T89 VanDerWaalsContact O-CB 3.28Å; A85-T89 WeakPolarHBondContact O-CB 3.4Å; A85-T89 PolarHBondContact O-N 2.87Å; A85-T89 PolarHBondContact O-OG1 2.88Å; A85-F362 HydrophobicContact CB-CE2 4.32Å; A85-F362 HydrophobicContact CB-CZ 4.27Å |
| 86 | A | 92.2 | Very high | 91.4 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 4% | 0.041 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.3 | -38.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A54 L56 E83 L84 S90 | A54-A86 HydrophobicContact CB-CB 4.17Å; A54-A86 WeakPolarHBondContact O-CA 3.29Å; L56-A86 HydrophobicContact CD2-CB 3.91Å; L56-A86 HydrophobicContact CG-CB 4.04Å; E83-A86 WeakPolarHBondContact O-CA 3.48Å; E83-A86 WeakPolarHBondContact O-CB 3.22Å; E83-A86 PolarHBondContact O-N 3.36Å; L84-A86 PolarHBondContact O-N 3.17Å; A86-S90 WeakPolarHBondContact O-CB 3.49Å; A86-S90 PolarHBondContact O-N 2.85Å; A86-S90 PolarHBondContact O-OG 3.43Å |
| 87 | V | 94 | Very high | 91.7 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -46.8 | 175.2 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | P63 A67 W70 E83 L84 S90 L91 L166 | P63-V87 HydrophobicContact CB-CG2 4.16Å; A67-V87 HydrophobicContact CB-CG1 4.07Å; W70-V87 HydrophobicContact CH2-CB 4.33Å; W70-V87 HydrophobicContact CH2-CG2 3.73Å; W70-V87 HydrophobicContact CZ2-CG2 4.5Å; W70-V87 HydrophobicContact CZ3-CG2 4.31Å; E83-V87 PolarHBondContact O-N 2.93Å; L84-V87 PolarHBondContact O-N 3.08Å; V87-S90 WeakPolarHBondContact O-CB 3.23Å; V87-S90 PolarHBondContact O-N 3.18Å; V87-L91 WeakPolarHBondContact O-CB 3.48Å; V87-L91 PolarHBondContact O-N 3.25Å; V87-L166 HydrophobicContact CG1-CD1 3.64Å |
| 88 | L | 94.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 176.7 | -65.6 | 177.3 | 0 | 0 | 0 | 111.9 | L50 L84 S90 L91 S92 F151 L166 F362 | L50-L88 HydrophobicContact CD1-CD1 3.83Å; L84-L88 HydrophobicContact CD1-CD1 4.08Å; L84-L88 HydrophobicContact CD1-CG 4.06Å; L84-L88 HydrophobicContact CG-CD1 3.98Å; L84-L88 HydrophobicContact CG-CG 4.31Å; L84-L88 WeakPolarHBondContact O-CG 3.35Å; L84-L88 PolarHBondContact O-N 3.25Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-S90 PolarHBondContact O-N 3.12Å; L88-L91 WeakPolarHBondContact O-CB 3.25Å; L88-L91 PolarHBondContact O-N 3.01Å; L88-S92 PolarHBondContact O-N 2.85Å; L88-F151 HydrophobicContact CD1-CE1 3.99Å; L88-F151 HydrophobicContact CD1-CZ 4.2Å; L88-F151 HydrophobicContact CD2-CE1 3.99Å; L88-F151 HydrophobicContact CD2-CZ 4.1Å; L88-L166 HydrophobicContact CD2-CB 4.13Å; L88-F362 HydrophobicContact CB-CE1 3.78Å; L88-F362 HydrophobicContact CB-CZ 4.37Å; L88-F362 HydrophobicContact CD1-CD1 4.36Å; L88-F362 HydrophobicContact CD1-CE1 3.93Å |
| 89 | T | 94.3 | Very high | 92.6 | Very high | 19 Ų | 19 | 50 Ų | 50 | 12% | 0.117 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.4 | -48.1 | 172.8 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | A85 L91 S92 T93 | A85-T89 VanDerWaalsContact O-CB 3.28Å; A85-T89 WeakPolarHBondContact O-CB 3.4Å; A85-T89 PolarHBondContact O-N 2.87Å; A85-T89 PolarHBondContact O-OG1 2.88Å; T89-L91 VanDerWaalsContact C-N 3.32Å; T89-L91 PolarHBondContact O-N 3.29Å; T89-S92 PolarHBondContact O-N 2.94Å; T89-S92 VanDerWaalsContact O-N 3.08Å; T89-S92 PolarHBondContact O-OG 3.02Å; T89-T93 PolarHBondContact O-N 3.15Å; T89-T93 VanDerWaalsContact O-N 3.11Å; T89-T93 PolarHBondContact O-OG1 3.09Å |
| 90 | S | 94.9 | Very high | 93.2 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 17% | 0.168 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.6 | -41.9 | 177.5 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | A86 V87 L88 S92 T93 A94 | A86-S90 WeakPolarHBondContact O-CB 3.49Å; A86-S90 PolarHBondContact O-N 2.85Å; A86-S90 PolarHBondContact O-OG 3.43Å; V87-S90 WeakPolarHBondContact O-CB 3.23Å; V87-S90 PolarHBondContact O-N 3.18Å; L88-S90 VanDerWaalsContact C-N 3.33Å; L88-S90 PolarHBondContact O-N 3.12Å; S90-S92 PolarHBondContact O-N 2.85Å; S90-T93 PolarHBondContact O-N 2.9Å; S90-A94 WeakPolarHBondContact O-CB 3.3Å; S90-A94 PolarHBondContact O-N 3.02Å |
| 91 | L | 95.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.6 | -36.6 | 177.1 | -169.6 | 65.9 | 0 | 0 | 0 | 111.4 | W64 V87 L88 T89 L114 V120 V168 R170 L223 L225 | W64-L91 HydrophobicContact CZ3-CB 4.37Å; W64-L91 HydrophobicContact CZ3-CD1 4.38Å; V87-L91 WeakPolarHBondContact O-CB 3.48Å; V87-L91 PolarHBondContact O-N 3.25Å; L88-L91 WeakPolarHBondContact O-CB 3.25Å; L88-L91 PolarHBondContact O-N 3.01Å; T89-L91 VanDerWaalsContact C-N 3.32Å; T89-L91 PolarHBondContact O-N 3.29Å; L91-L114 HydrophobicContact CD1-CD1 3.8Å; L91-V120 HydrophobicContact CD1-CG1 3.63Å; L91-V168 HydrophobicContact CB-CG1 3.81Å; L91-V168 HydrophobicContact CD2-CB 4.11Å; L91-V168 HydrophobicContact CD2-CG1 3.58Å; L91-V168 HydrophobicContact CG-CG1 3.55Å; L91-R170 PolarHBondContact O-NH1 3.26Å; L91-L223 HydrophobicContact CD1-CB 4.5Å; L91-L223 HydrophobicContact CD2-CB 4.44Å; L91-L223 HydrophobicContact CG-CB 4.2Å; L91-L223 VanDerWaalsContact O-CD1 3.26Å; L91-L223 WeakPolarHBondContact O-CD1 3.45Å; L91-L225 HydrophobicContact CD1-CD1 4.25Å |
| 92 | S | 95.5 | Very high | 93.2 | Very high | 21 Ų | 21 | 42.4 Ų | 42.4 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -75.8 | -25.9 | 179 | 75.5 | 0 | 0 | 0 | 0 | 114.3 | L88 T89 S90 R170 | L88-S92 PolarHBondContact O-N 2.85Å; T89-S92 PolarHBondContact O-N 2.94Å; T89-S92 VanDerWaalsContact O-N 3.08Å; T89-S92 PolarHBondContact O-OG 3.02Å; S90-S92 PolarHBondContact O-N 2.85Å; S92-R170 VanDerWaalsContact O-CD 3.24Å; S92-R170 WeakPolarHBondContact O-CD 3.36Å; S92-R170 WeakPolarHBondContact O-CG 3.29Å; S92-R170 PolarHBondContact O-NE 3.43Å |
| 93 | T | 94.8 | Very high | 92 | Very high | 99 Ų | 99 | 46 Ų | 46 | 61% | 0.607 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -115.9 | -16.2 | -172.7 | 60.3 | 0 | 0 | 0 | 0 | 115.5 | T89 S90 | T89-T93 PolarHBondContact O-N 3.15Å; T89-T93 VanDerWaalsContact O-N 3.11Å; T89-T93 PolarHBondContact O-OG1 3.09Å; S90-T93 PolarHBondContact O-N 2.9Å |
| 94 | A | 96.3 | Very high | 90.9 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 13% | 0.132 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -58.7 | 142.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | W64 S90 L114 R170 | W64-A94 HydrophobicContact CH2-CB 4.15Å; W64-A94 HydrophobicContact CZ2-CB 3.8Å; S90-A94 WeakPolarHBondContact O-CB 3.3Å; S90-A94 PolarHBondContact O-N 3.02Å; A94-L114 HydrophobicContact CB-CB 4.22Å; A94-L114 HydrophobicContact CB-CD1 4.17Å; A94-R170 VanDerWaalsContact O-CZ 3.28Å; A94-R170 PolarHBondContact O-NH1 3.12Å; A94-R170 PolarHBondContact O-NH2 3.41Å |
| 95 | R | 97.2 | Very high | 90.2 | Very high | 180 Ų | 180 | 51.2 Ų | 51.2 | 68% | 0.679 | 25% | 0.247 | S | C | * | . | P | Polyproline II helix | trans | -64.3 | 138.1 | 179.2 | -178 | 178.7 | 178.2 | 177.6 | -0.7 | 110 | L114 D115 | R95-L114 CarbonylContact O-C 3.6Å; R95-L114 VanDerWaalsContact O-CA 3.29Å; R95-L114 WeakPolarHBondContact O-CA 3.31Å; R95-D115 HydrophobicContact CB-CB 4.44Å; R95-D115 PolarHBondContact O-N 2.88Å |
| 96 | I | 98.3 | Very high | 89.9 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.2 | 171.6 | -60.2 | 160.5 | 0 | 0 | 0 | 107.6 | L112 L114 V172 E177 I178 V181 | I96-L112 HydrophobicContact CD1-CD1 3.92Å; I96-L112 HydrophobicContact CG1-CD1 4.31Å; I96-L112 HydrophobicContact CG2-CB 4.23Å; I96-L112 HydrophobicContact CG2-CD2 4.37Å; I96-L114 HydrophobicContact CG1-CD2 3.78Å; I96-V172 HydrophobicContact CD1-CG1 3.87Å; I96-V172 HydrophobicContact CD1-CG2 4.4Å; I96-E177 HydrophobicContact CD1-CB 4.26Å; I96-I178 HydrophobicContact CD1-CD1 3.88Å; I96-I178 HydrophobicContact CG2-CD1 4.33Å; I96-V181 HydrophobicContact CG2-CG2 4.07Å |
| 97 | E | 97.7 | Very high | 89.8 | Confident | 84 Ų | 84 | 55.4 Ų | 55.4 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -27.6 | -178.1 | -63.8 | -163.2 | 138.4 | 0 | 0 | 113.2 | V113 V181 | E97-V113 PolarHBondContact N-O 3.03Å; E97-V181 WeakPolarHBondContact O-CB 3.47Å; E97-V181 WeakPolarHBondContact O-CG1 3.07Å |
| 98 | R | 97.4 | Very high | 89.7 | Confident | 179 Ų | 179 | 55.8 Ų | 55.8 | 68% | 0.675 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 145.9 | 175.8 | -54.9 | -176.3 | -177.2 | -165.8 | 0.1 | 110.7 | L112 V113 V181 | R98-L112 CarbonylContact O-C 3.5Å; R98-L112 WeakPolarHBondContact O-CA 3.49Å; R98-V113 HydrophobicContact CB-CB 3.97Å; R98-V113 HydrophobicContact CB-CG2 4.06Å; R98-V113 HydrophobicContact CG-CB 4.46Å; R98-V113 PolarHBondContact N-O 3.3Å; R98-V113 PolarHBondContact O-N 2.99Å; R98-V181 WeakPolarHBondContact CA-O 3.38Å |
| 99 | A | 97.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 132.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L112 I178 V181 A182 T183 L186 | A99-L112 HydrophobicContact CB-CD2 3.54Å; A99-I178 HydrophobicContact CB-CD1 4.23Å; A99-I178 HydrophobicContact CB-CG2 3.99Å; A99-V181 HydrophobicContact CB-CG2 4.31Å; A99-V181 PolarHBondContact N-O 3.33Å; A99-A182 HydrophobicContact CB-CB 4.26Å; A99-A182 CarbonylContact O-C 3.48Å; A99-A182 VanDerWaalsContact O-CA 3.22Å; A99-A182 WeakPolarHBondContact O-CA 3.42Å; A99-T183 PolarHBondContact O-N 3.06Å; A99-L186 HydrophobicContact CB-CD2 3.86Å |
| 100 | D | 95.8 | Very high | 89.7 | Confident | 52 Ų | 52 | 57.4 Ų | 57.4 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 166.8 | 178.2 | -160.7 | 5.7 | 0 | 0 | 0 | 110.5 | A110 L111 T183 | D100-A110 CarbonylContact O-C 3.58Å; D100-A110 WeakPolarHBondContact O-CA 3.37Å; D100-L111 PolarHBondContact N-O 3.27Å; D100-L111 PolarHBondContact O-N 2.73Å; D100-T183 HydrophobicContact CB-CG2 3.81Å; D100-T183 VanDerWaalsContact CG-CG2 3.45Å; D100-T183 WeakPolarHBondContact OD1-CG2 3.5Å; D100-T183 PolarHBondContact OD1-OG1 2.81Å |
| 101 | V | 89.3 | Confident | 89.8 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 144.9 | 169.2 | -62.8 | 0 | 0 | 0 | 0 | 110 | Y103 Q185 L186 K202 | V101-Y103 PolarHBondContact O-N 2.93Å; V101-Q185 HydrophobicContact CG1-CG 4.18Å; V101-Q185 VanDerWaalsContact CG2-CD 3.47Å; V101-Q185 HydrophobicContact CG2-CG 3.68Å; V101-Q185 VanDerWaalsContact CG2-NE2 3.3Å; V101-L186 HydrophobicContact CG1-CB 4.01Å; V101-L186 HydrophobicContact CG1-CD1 3.92Å; V101-K202 HydrophobicContact CB-CB 4.4Å; V101-K202 HydrophobicContact CG1-CB 4.26Å; V101-K202 HydrophobicContact CG1-CG 4.35Å; V101-K202 HydrophobicContact CG2-CB 4.41Å |
| 102 | G | 76.2 | Confident | 89.9 | Confident | 10 Ų | 10 | 58.3 Ų | 58.3 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | trans | -60.1 | 134.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | K104 K109 | G102-K104 PolarHBondContact O-N 3.46Å; G102-K109 PolarHBondContact N-O 3.21Å; G102-K109 VanDerWaalsContact N-O 3.09Å | ||
| 103 | Y | 60.7 | Low | 90 | Very high | 180 Ų | 180 | 58.5 Ų | 58.5 | 71% | 0.706 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -73.6 | 112.4 | 174.3 | -174.9 | -99.4 | 0 | 0 | 0 | 110.3 | V101 | V101-Y103 PolarHBondContact O-N 2.93Š|
| 104 | K | 67.2 | Low | 90.1 | Very high | 150 Ų | 150 | 53.8 Ų | 53.8 | 65% | 0.652 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 60.7 | 148 | 176.4 | -60.1 | 178.1 | 177.7 | 164 | 0 | 114.2 | G102 K109 | G102-K104 PolarHBondContact O-N 3.46Å; K104-K109 VanDerWaalsContact O-CE 3.3Å; K104-K109 WeakPolarHBondContact O-CE 3.38Å; K104-K109 PolarHBondContact O-NZ 2.81Å |
| 105 | G | 75.4 | Confident | 90 | Very high | 36 Ų | 36 | 57.4 Ų | 57.4 | 37% | 0.371 | 27% | 0.27 | S | S | . | . | trans | 140.4 | 167 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y204 | G105-Y204 PolarHBondContact O-N 3.33Å; G105-Y204 VanDerWaalsContact O-N 3.08Å | ||
| 106 | T | 82.7 | Confident | 89.6 | Confident | 71 Ų | 71 | 51.8 Ų | 51.8 | 44% | 0.436 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -88.8 | -32.1 | -178.2 | 48.1 | 0 | 0 | 0 | 0 | 112.7 | C203 Y205 | T106-C203 PolarHBondContact O-SG 2.95Å; T106-Y205 HydrophobicContact CG2-CD2 4.39Å; T106-Y205 HydrophobicContact CG2-CE2 3.93Å; T106-Y205 WeakPolarHBondContact O-CB 3.47Å; T106-Y205 VanDerWaalsContact O-CD2 3.23Å; T106-Y205 WeakPolarHBondContact O-CD2 3.44Å; T106-Y205 PolarHBondContact O-N 2.86Å |
| 107 | Q | 90.6 | Very high | 89.4 | Confident | 22 Ų | 22 | 53.7 Ų | 53.7 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -111.8 | 159.6 | -171.6 | -62.1 | -66.8 | -29.8 | 0 | 0 | 112.6 | K109 D142 | Q107-K109 PolarHBondContact O-N 2.84Å; Q107-D142 HydrophobicContact CB-CB 4.3Å; Q107-D142 WeakPolarHBondContact CG-OD1 3.36Å |
| 108 | L | 92.5 | Very high | 89.3 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 5% | 0.047 | 28% | 0.279 | C | S | . | . | trans | -67.3 | 122.2 | -179.9 | 177.3 | 55.9 | 0 | 0 | 0 | 111.3 | P124 F199 Y200 A212 | L108-P124 HydrophobicContact CD2-CG 4.01Å; L108-P124 HydrophobicContact CG-CG 4.11Å; L108-F199 HydrophobicContact CD1-CD2 4.09Å; L108-F199 HydrophobicContact CD1-CE2 3.73Å; L108-F199 HydrophobicContact CD2-CD2 4.49Å; L108-F199 HydrophobicContact CD2-CE2 4.2Å; L108-F199 HydrophobicContact CG-CE2 4.18Å; L108-Y200 VanDerWaalsContact CD1-O 3.27Å; L108-Y200 WeakPolarHBondContact CD1-O 3.47Å; L108-A212 HydrophobicContact CD2-CB 3.65Å | ||
| 109 | K | 94.3 | Very high | 89.3 | Confident | 51 Ų | 51 | 47 Ų | 47 | 22% | 0.222 | 26% | 0.264 | C | S | . | . | trans | -151.3 | 152.2 | 172.1 | 63.2 | -172.9 | 179.1 | -179.8 | 0 | 110.1 | G102 K104 Q107 V121 F122 K123 | G102-K109 PolarHBondContact N-O 3.21Å; G102-K109 VanDerWaalsContact N-O 3.09Å; K104-K109 VanDerWaalsContact O-CE 3.3Å; K104-K109 WeakPolarHBondContact O-CE 3.38Å; K104-K109 PolarHBondContact O-NZ 2.81Å; Q107-K109 PolarHBondContact O-N 2.84Å; K109-V121 HydrophobicContact CB-CG1 4.05Å; K109-V121 HydrophobicContact CD-CG1 4.11Å; K109-V121 HydrophobicContact CG-CG1 4.5Å; K109-F122 WeakPolarHBondContact CA-O 3.47Å; K109-K123 HydrophobicContact CB-CG 4.29Å | ||
| 110 | A | 95 | Very high | 89.3 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 3% | 0.025 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 146.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110 | D100 L112 F122 | D100-A110 CarbonylContact O-C 3.58Å; D100-A110 WeakPolarHBondContact O-CA 3.37Å; A110-L112 HydrophobicContact CB-CD2 4.23Å; A110-F122 HydrophobicContact CB-CB 4.31Å; A110-F122 HydrophobicContact CB-CD1 4.35Å; A110-F122 PolarHBondContact N-O 2.89Å; A110-F122 PolarHBondContact O-N 3.09Å |
| 111 | L | 96.8 | Very high | 89.3 | Confident | 43 Ų | 43 | 45.4 Ų | 45.4 | 23% | 0.225 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119.6 | 167.7 | 176.4 | 66.4 | 0 | 0 | 0 | 107.2 | D100 K119 W226 | D100-L111 PolarHBondContact N-O 3.27Å; D100-L111 PolarHBondContact O-N 2.73Å; L111-K119 HydrophobicContact CD1-CB 4.23Å; L111-W226 HydrophobicContact CD1-CE3 4.38Å; L111-W226 HydrophobicContact CD1-CZ3 4.39Å |
| 112 | L | 97.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 150.6 | 173.7 | -47.7 | 179.3 | 0 | 0 | 0 | 109.5 | I96 R98 A99 A110 K119 V120 F122 I178 L223 | I96-L112 HydrophobicContact CD1-CD1 3.92Å; I96-L112 HydrophobicContact CG1-CD1 4.31Å; I96-L112 HydrophobicContact CG2-CB 4.23Å; I96-L112 HydrophobicContact CG2-CD2 4.37Å; R98-L112 CarbonylContact O-C 3.5Å; R98-L112 WeakPolarHBondContact O-CA 3.49Å; A99-L112 HydrophobicContact CB-CD2 3.54Å; A110-L112 HydrophobicContact CB-CD2 4.23Å; L112-K119 WeakPolarHBondContact O-CA 3.07Å; L112-V120 HydrophobicContact CB-CG2 3.69Å; L112-V120 HydrophobicContact CG-CG2 4.48Å; L112-V120 PolarHBondContact N-O 3.45Å; L112-V120 PolarHBondContact O-N 3.16Å; L112-F122 HydrophobicContact CD1-CB 3.66Å; L112-F122 HydrophobicContact CD1-CD2 4.46Å; L112-F122 HydrophobicContact CD1-CG 4.1Å; L112-F122 HydrophobicContact CG-CB 3.91Å; L112-I178 HydrophobicContact CD1-CD1 4.21Å; L112-I178 HydrophobicContact CD2-CD1 3.74Å; L112-L223 HydrophobicContact CD1-CD2 3.85Å |
| 113 | V | 97.7 | Very high | 90.7 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 16% | 0.158 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.6 | 169.4 | -174 | 0 | 0 | 0 | 0 | 107.1 | E97 R98 Q118 K119 | E97-V113 PolarHBondContact N-O 3.03Å; R98-V113 HydrophobicContact CB-CB 3.97Å; R98-V113 HydrophobicContact CB-CG2 4.06Å; R98-V113 HydrophobicContact CG-CB 4.46Å; R98-V113 PolarHBondContact N-O 3.3Å; R98-V113 PolarHBondContact O-N 2.99Å; V113-Q118 WeakPolarHBondContact CA-O 3.15Å; V113-K119 HydrophobicContact CG2-CG 4.47Å |
| 114 | L | 97.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 164.9 | 176.1 | -55.9 | -178.6 | 0 | 0 | 0 | 110.3 | W64 L91 A94 R95 I96 G116 G117 Q118 V120 | W64-L114 HydrophobicContact CH2-CD1 4.15Å; W64-L114 HydrophobicContact CZ2-CB 4.47Å; W64-L114 HydrophobicContact CZ2-CD1 4.19Å; L91-L114 HydrophobicContact CD1-CD1 3.8Å; A94-L114 HydrophobicContact CB-CB 4.22Å; A94-L114 HydrophobicContact CB-CD1 4.17Å; R95-L114 CarbonylContact O-C 3.6Å; R95-L114 VanDerWaalsContact O-CA 3.29Å; R95-L114 WeakPolarHBondContact O-CA 3.31Å; I96-L114 HydrophobicContact CG1-CD2 3.78Å; L114-G116 PolarHBondContact O-N 3.41Å; L114-G117 PolarHBondContact O-N 3Å; L114-Q118 PolarHBondContact N-O 2.86Å; L114-Q118 PolarHBondContact O-N 3.16Å; L114-V120 HydrophobicContact CD1-CG1 3.61Å; L114-V120 HydrophobicContact CD1-CG2 4.2Å; L114-V120 HydrophobicContact CD2-CG2 4.19Å; L114-V120 HydrophobicContact CG-CG1 4.02Å; L114-V120 HydrophobicContact CG-CG2 3.96Å |
| 115 | D | 93.1 | Very high | 93.9 | Very high | 92 Ų | 92 | 32 Ų | 32 | 49% | 0.492 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | 138.3 | 169.7 | -172.1 | 2.6 | 0 | 0 | 0 | 111.1 | W64 R95 G117 | W64-D115 PolarHBondContact NE1-O 3.09Å; R95-D115 HydrophobicContact CB-CB 4.44Å; R95-D115 PolarHBondContact O-N 2.88Å; D115-G117 VanDerWaalsContact C-N 3.35Å |
| 116 | G | 89.6 | Confident | 94.9 | Very high | 62 Ų | 62 | 32.5 Ų | 32.5 | 64% | 0.639 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 10.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L114 Q118 | L114-G116 PolarHBondContact O-N 3.41Å; G116-Q118 VanDerWaalsContact C-N 3.26Å; G116-Q118 PolarHBondContact O-N 2.97Å |
| 117 | G | 93.2 | Very high | 95.5 | Very high | 45 Ų | 45 | 30.9 Ų | 30.9 | 46% | 0.464 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 10 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | L114 D115 K119 | L114-G117 PolarHBondContact O-N 3Å; D115-G117 VanDerWaalsContact C-N 3.35Å; G117-K119 PolarHBondContact O-N 3.14Å |
| 118 | Q | 96.3 | Very high | 95.8 | Very high | 38 Ų | 38 | 35.2 Ų | 35.2 | 18% | 0.178 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 125.2 | -176.8 | 178.7 | 57.5 | 52.8 | 0 | 0 | 111.4 | W64 V113 L114 G116 L225 W226 | W64-Q118 HydrophobicContact CB-CB 4.16Å; W64-Q118 HydrophobicContact CB-CG 4.08Å; W64-Q118 VanDerWaalsContact CD1-CB 3.48Å; W64-Q118 HydrophobicContact CD2-CB 3.93Å; W64-Q118 HydrophobicContact CD2-CG 3.87Å; W64-Q118 HydrophobicContact CE3-CG 4.28Å; W64-Q118 HydrophobicContact CG-CB 3.59Å; W64-Q118 HydrophobicContact CG-CG 3.77Å; V113-Q118 WeakPolarHBondContact CA-O 3.15Å; L114-Q118 PolarHBondContact N-O 2.86Å; L114-Q118 PolarHBondContact O-N 3.16Å; G116-Q118 VanDerWaalsContact C-N 3.26Å; G116-Q118 PolarHBondContact O-N 2.97Å; Q118-L225 HydrophobicContact CG-CD1 3.47Å; Q118-L225 VanDerWaalsContact CG-CD1 3.47Å; Q118-W226 PolarHBondContact NE2-O 2.62Å |
| 119 | K | 96.8 | Very high | 95.9 | Very high | 83 Ų | 83 | 36.6 Ų | 36.6 | 36% | 0.361 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 142 | 176.8 | -64.4 | 174.9 | -168.7 | 160.8 | 0 | 110.8 | L111 L112 V113 G117 W226 | L111-K119 HydrophobicContact CD1-CB 4.23Å; L112-K119 WeakPolarHBondContact O-CA 3.07Å; V113-K119 HydrophobicContact CG2-CG 4.47Å; G117-K119 PolarHBondContact O-N 3.14Å; K119-W226 HydrophobicContact CB-CB 3.73Å; K119-W226 HydrophobicContact CB-CD2 4.48Å; K119-W226 HydrophobicContact CB-CG 4.02Å; K119-W226 WeakPolarHBondContact O-CB 3.4Å; K119-W226 PolarHBondContact O-N 3.23Å; K119-W226 VanDerWaalsContact O-N 3.09Å |
| 120 | V | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 149 | 173.6 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | L91 L112 L114 L223 T224 L225 | L91-V120 HydrophobicContact CD1-CG1 3.63Å; L112-V120 HydrophobicContact CB-CG2 3.69Å; L112-V120 HydrophobicContact CG-CG2 4.48Å; L112-V120 PolarHBondContact N-O 3.45Å; L112-V120 PolarHBondContact O-N 3.16Å; L114-V120 HydrophobicContact CD1-CG1 3.61Å; L114-V120 HydrophobicContact CD1-CG2 4.2Å; L114-V120 HydrophobicContact CD2-CG2 4.19Å; L114-V120 HydrophobicContact CG-CG1 4.02Å; L114-V120 HydrophobicContact CG-CG2 3.96Å; V120-L223 HydrophobicContact CB-CD2 4.46Å; V120-L223 HydrophobicContact CG2-CD2 3.79Å; V120-T224 CarbonylContact C-O 3.53Å; V120-T224 VanDerWaalsContact CA-O 3.24Å; V120-T224 WeakPolarHBondContact CA-O 3.26Å; V120-T224 WeakPolarHBondContact CB-O 3.41Å; V120-L225 HydrophobicContact CG1-CD1 4.2Å |
| 121 | V | 96.5 | Very high | 96 | Very high | 21 Ų | 21 | 45.9 Ų | 45.9 | 13% | 0.127 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.7 | 171.3 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | K109 K123 L223 T224 W226 | K109-V121 HydrophobicContact CB-CG1 4.05Å; K109-V121 HydrophobicContact CD-CG1 4.11Å; K109-V121 HydrophobicContact CG-CG1 4.5Å; V121-K123 HydrophobicContact CG1-CG 4.29Å; V121-L223 CarbonylContact O-C 3.31Å; V121-L223 WeakPolarHBondContact O-CA 3.25Å; V121-T224 PolarHBondContact N-O 2.87Å; V121-T224 PolarHBondContact O-N 3.39Å; V121-W226 HydrophobicContact CG2-CE3 3.62Å; V121-W226 HydrophobicContact CG2-CZ3 3.48Å; V121-W226 VanDerWaalsContact CG2-CZ3 3.48Å |
| 122 | F | 97.4 | Very high | 96 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 119.1 | 171.7 | 179.5 | -107.2 | 0 | 0 | 0 | 110.6 | K109 A110 L112 P124 V172 F199 M219 S222 L223 | K109-F122 WeakPolarHBondContact CA-O 3.47Å; A110-F122 HydrophobicContact CB-CB 4.31Å; A110-F122 HydrophobicContact CB-CD1 4.35Å; A110-F122 PolarHBondContact N-O 2.89Å; A110-F122 PolarHBondContact O-N 3.09Å; L112-F122 HydrophobicContact CD1-CB 3.66Å; L112-F122 HydrophobicContact CD1-CD2 4.46Å; L112-F122 HydrophobicContact CD1-CG 4.1Å; L112-F122 HydrophobicContact CG-CB 3.91Å; F122-P124 HydrophobicContact CE1-CB 3.9Å; F122-P124 HydrophobicContact CZ-CB 4.38Å; F122-V172 HydrophobicContact CE2-CG2 3.95Å; F122-V172 HydrophobicContact CZ-CG2 4.36Å; F122-F199 HydrophobicContact CE1-CZ 4.44Å; F122-M219 HydrophobicContact CE1-CG 4.47Å; F122-M219 HydrophobicContact CE1-SD 3.93Å; F122-M219 HydrophobicContact CZ-CG 4.13Å; F122-M219 HydrophobicContact CZ-SD 4.19Å; F122-S222 WeakPolarHBondContact CA-O 3.23Å; F122-L223 HydrophobicContact CB-CD2 3.88Å; F122-L223 HydrophobicContact CD2-CD2 3.71Å; F122-L223 HydrophobicContact CD2-CG 4.34Å; F122-L223 HydrophobicContact CG-CD2 4.26Å |
| 123 | K | 97.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 116.9 | 169.6 | -62.6 | -169.2 | -177.8 | -174.9 | 0 | 109.1 | K109 V121 D142 H144 E147 G221 S222 D311 A313 | K109-K123 HydrophobicContact CB-CG 4.29Å; V121-K123 HydrophobicContact CG1-CG 4.29Å; K123-D142 HydrophobicContact CD-CB 4.4Å; K123-D142 IonicContact NZ-OD2 3.9Å; K123-D142 PolarHBondContact NZ-OD2 2.98Å; K123-H144 VanDerWaalsContact O-CB 3.23Å; K123-H144 WeakPolarHBondContact O-CB 3.33Å; K123-E147 HydrophobicContact CD-CG 4.15Å; K123-E147 WeakPolarHBondContact CE-OE1 3.35Å; K123-E147 IonicContact NZ-OE1 3.72Å; K123-E147 PolarHBondContact NZ-OE1 2.84Å; K123-G221 CarbonylContact O-C 3.57Å; K123-G221 VanDerWaalsContact O-CA 3.23Å; K123-G221 WeakPolarHBondContact O-CA 3.4Å; K123-S222 PolarHBondContact N-O 3.41Å; K123-S222 PolarHBondContact O-N 2.86Å; K123-D311 IonicContact NZ-OD1 3.64Å; K123-D311 PolarHBondContact NZ-OD1 2.82Å; K123-A313 HydrophobicContact CD-CB 4.01Å |
| 124 | P | 97.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.019 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 156.3 | -176.4 | 32.1 | -36.1 | 0 | 0 | 0 | 112.1 | L108 F122 R126 F199 A212 M219 | L108-P124 HydrophobicContact CD2-CG 4.01Å; L108-P124 HydrophobicContact CG-CG 4.11Å; F122-P124 HydrophobicContact CE1-CB 3.9Å; F122-P124 HydrophobicContact CZ-CB 4.38Å; P124-R126 PolarHBondContact O-N 2.98Å; P124-F199 HydrophobicContact CB-CZ 4.36Å; P124-F199 HydrophobicContact CG-CZ 4.16Å; P124-A212 HydrophobicContact CB-CB 3.81Å; P124-A212 HydrophobicContact CG-CB 3.61Å; P124-M219 HydrophobicContact CB-CE 4.37Å; P124-M219 HydrophobicContact CB-CG 4.28Å; P124-M219 HydrophobicContact CB-SD 3.43Å; P124-M219 WeakPolarHBondContact CB-SD 3.38Å |
| 125 | K | 97.6 | Very high | 95.4 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 26% | 0.261 | 32% | 0.321 | S | S | . | . | trans | -59.7 | 129.5 | 170.2 | 177.5 | 177.7 | 174.6 | -174.6 | 0 | 111 | Y127 N128 H144 E220 | K125-Y127 WeakPolarHBondContact CE-O 3.3Å; K125-Y127 WeakPolarHBondContact CG-O 3.34Å; K125-N128 PolarHBondContact NZ-OD1 2.93Å; K125-H144 WeakPolarHBondContact CA-ND1 3.48Å; K125-H144 VanDerWaalsContact CB-CE1 3.49Å; K125-H144 WeakPolarHBondContact CB-CE1 3.23Å; K125-E220 HydrophobicContact CB-CB 4.17Å; K125-E220 VanDerWaalsContact CB-O 3.25Å; K125-E220 WeakPolarHBondContact CB-O 3.18Å; K125-E220 HydrophobicContact CD-CB 4.17Å; K125-E220 PolarHBondContact N-O 2.92Å; K125-E220 IonicContact NZ-OE2 3.75Å | ||
| 126 | R | 96.3 | Very high | 95.2 | Very high | 46 Ų | 46 | 58.2 Ų | 58.2 | 17% | 0.174 | 32% | 0.323 | C | S | . | . | trans | -115.9 | -25.6 | 176.7 | -59 | -57.5 | -57.5 | -74.1 | 4.1 | 114 | P124 Y141 E210 | P124-R126 PolarHBondContact O-N 2.98Å; R126-Y141 HydrophobicContact CB-CD2 4.05Å; R126-Y141 HydrophobicContact CB-CG 4.34Å; R126-Y141 HydrophobicContact CG-CG 4.4Å; R126-Y141 VanDerWaalsContact NH2-CE2 3.32Å; R126-Y141 VanDerWaalsContact NH2-CZ 3.26Å; R126-E210 PolarHBondContact NH2-O 3.34Å | ||
| 127 | Y | 96.5 | Very high | 95.1 | Very high | 38 Ų | 38 | 57.2 Ų | 57.2 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -135.4 | 160.1 | -177.1 | -59.5 | -69.2 | 0 | 0 | 0 | 111.2 | K125 Y131 G140 Y141 R143 | K125-Y127 WeakPolarHBondContact CE-O 3.3Å; K125-Y127 WeakPolarHBondContact CG-O 3.34Å; Y127-Y131 AromaticContact CD1-CD1 3.38Å; Y127-Y131 HydrophobicContact CD1-CD1 3.38Å; Y127-Y131 HydrophobicContact CD1-CD2 4.21Å; Y127-Y131 AromaticContact CD1-CE1 3.44Å; Y127-Y131 HydrophobicContact CD1-CE1 3.44Å; Y127-Y131 VanDerWaalsContact CD1-CE1 3.44Å; Y127-Y131 HydrophobicContact CD1-CE2 4.27Å; Y127-Y131 AromaticContact CD1-CG 3.78Å; Y127-Y131 HydrophobicContact CD1-CG 3.78Å; Y127-Y131 AromaticContact CD1-CZ 3.91Å; Y127-Y131 HydrophobicContact CD2-CD1 4.29Å; Y127-Y131 AromaticContact CE1-CD1 3.82Å; Y127-Y131 HydrophobicContact CE1-CD1 3.82Å; Y127-Y131 AromaticContact CE1-CE1 3.35Å; Y127-Y131 HydrophobicContact CE1-CE1 3.35Å; Y127-Y131 HydrophobicContact CE1-CE2 4.44Å; Y127-Y131 AromaticContact CE1-CZ 3.72Å; Y127-Y131 HydrophobicContact CE2-CE1 4.49Å; Y127-Y131 AromaticContact CG-CD1 3.64Å; Y127-Y131 HydrophobicContact CG-CD1 3.64Å; Y127-Y131 HydrophobicContact CG-CE1 4.07Å; Y127-Y131 HydrophobicContact CG-CG 4.12Å; Y127-Y131 AromaticContact CZ-CE1 3.9Å; Y127-G140 WeakPolarHBondContact OH-CA 3.36Å; Y127-Y141 AromaticContact CE1-CD2 3.94Å; Y127-Y141 HydrophobicContact CE1-CD2 3.94Å; Y127-Y141 HydrophobicContact CE1-CE2 4.35Å; Y127-Y141 AromaticContact CE2-CD2 3.75Å; Y127-Y141 HydrophobicContact CE2-CD2 3.75Å; Y127-Y141 HydrophobicContact CE2-CG 4.17Å; Y127-Y141 AromaticContact CZ-CD2 3.31Å; Y127-Y141 WeakPolarHBondContact OH-CD2 3.47Å; Y127-Y141 PolarHBondContact OH-N 3.18Å; Y127-R143 HydrophobicContact CD2-CG 3.88Å; Y127-R143 HydrophobicContact CE2-CG 4.44Å |
| 128 | N | 95.8 | Very high | 94.9 | Very high | 113 Ų | 113 | 58 Ų | 58 | 60% | 0.604 | 29% | 0.294 | S | S | * | . | trans | -75.2 | 160.1 | 167.7 | -70.4 | -31.2 | 0 | 0 | 0 | 110.8 | K125 D130 Y131 | K125-N128 PolarHBondContact NZ-OD1 2.93Å; N128-D130 PolarHBondContact O-N 3.29Å; N128-Y131 VanDerWaalsContact O-CB 3.29Å; N128-Y131 WeakPolarHBondContact O-CB 3.32Å; N128-Y131 PolarHBondContact O-N 2.78Å; N128-Y131 VanDerWaalsContact O-N 3.13Å | ||
| 129 | R | 95.3 | Very high | 94.6 | Very high | 38 Ų | 38 | 57.5 Ų | 57.5 | 14% | 0.143 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -31.3 | -176.1 | -67.2 | -63.3 | -167.2 | -84.1 | -7.5 | 113.7 | H144 E220 I365 P367 V368 | R129-H144 PolarHBondContact NH1-CE1 3.39Å; R129-H144 VanDerWaalsContact NH1-CE1 3.25Å; R129-H144 PolarHBondContact NH1-NE2 3.38Å; R129-E220 IonicContact CZ-OE1 3.39Å; R129-E220 IonicContact NH1-OE1 3.65Å; R129-E220 PolarHBondContact NH1-OE1 2.94Å; R129-E220 IonicContact NH2-OE1 2.72Å; R129-E220 PolarHBondContact NH2-OE1 3.01Å; R129-I365 PolarHBondContact NH2-O 3.35Å; R129-I365 VanDerWaalsContact NH2-O 3.12Å; R129-P367 PolarHBondContact NE-O 2.99Å; R129-P367 PolarHBondContact NH2-O 2.9Å; R129-V368 VanDerWaalsContact CD-O 3.25Å; R129-V368 WeakPolarHBondContact CD-O 3.41Å; R129-V368 PolarHBondContact NE-O 3.14Å; R129-V368 VanDerWaalsContact NE-O 3.09Å |
| 130 | D | 94.8 | Very high | 94.4 | Very high | 131 Ų | 131 | 54.9 Ų | 54.9 | 70% | 0.701 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 2 | -178.8 | -52.2 | -48.9 | 0 | 0 | 0 | 113.1 | N128 V132 | N128-D130 PolarHBondContact O-N 3.29Å; D130-V132 PolarHBondContact O-N 3.04Å |
| 131 | Y | 96.6 | Very high | 94.3 | Very high | 117 Ų | 117 | 57.5 Ų | 57.5 | 46% | 0.459 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 125.6 | -179.9 | -175.3 | -94.6 | 0 | 0 | 0 | 110.4 | Y127 N128 V133 | Y127-Y131 AromaticContact CD1-CD1 3.38Å; Y127-Y131 HydrophobicContact CD1-CD1 3.38Å; Y127-Y131 HydrophobicContact CD1-CD2 4.21Å; Y127-Y131 AromaticContact CD1-CE1 3.44Å; Y127-Y131 HydrophobicContact CD1-CE1 3.44Å; Y127-Y131 VanDerWaalsContact CD1-CE1 3.44Å; Y127-Y131 HydrophobicContact CD1-CE2 4.27Å; Y127-Y131 AromaticContact CD1-CG 3.78Å; Y127-Y131 HydrophobicContact CD1-CG 3.78Å; Y127-Y131 AromaticContact CD1-CZ 3.91Å; Y127-Y131 HydrophobicContact CD2-CD1 4.29Å; Y127-Y131 AromaticContact CE1-CD1 3.82Å; Y127-Y131 HydrophobicContact CE1-CD1 3.82Å; Y127-Y131 AromaticContact CE1-CE1 3.35Å; Y127-Y131 HydrophobicContact CE1-CE1 3.35Å; Y127-Y131 HydrophobicContact CE1-CE2 4.44Å; Y127-Y131 AromaticContact CE1-CZ 3.72Å; Y127-Y131 HydrophobicContact CE2-CE1 4.49Å; Y127-Y131 AromaticContact CG-CD1 3.64Å; Y127-Y131 HydrophobicContact CG-CD1 3.64Å; Y127-Y131 HydrophobicContact CG-CE1 4.07Å; Y127-Y131 HydrophobicContact CG-CG 4.12Å; Y127-Y131 AromaticContact CZ-CE1 3.9Å; N128-Y131 VanDerWaalsContact O-CB 3.29Å; N128-Y131 WeakPolarHBondContact O-CB 3.32Å; N128-Y131 PolarHBondContact O-N 2.78Å; N128-Y131 VanDerWaalsContact O-N 3.13Å; Y131-V133 HydrophobicContact CD1-CG2 4.09Å; Y131-V133 HydrophobicContact CE1-CG2 3.96Å |
| 132 | V | 96.7 | Very high | 94.3 | Very high | 57 Ų | 57 | 57.4 Ų | 57.4 | 35% | 0.345 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -98.2 | 126.9 | 176.3 | 180 | 0 | 0 | 0 | 0 | 109.2 | D130 N318 | D130-V132 PolarHBondContact O-N 3.04Å; V132-N318 HydrophobicContact CG1-CB 4.16Å; V132-N318 WeakPolarHBondContact CG1-ND2 3.41Å |
| 133 | V | 95.8 | Very high | 94.3 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 10% | 0.103 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 123.4 | 172.9 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | Y131 A139 G317 N318 | Y131-V133 HydrophobicContact CD1-CG2 4.09Å; Y131-V133 HydrophobicContact CE1-CG2 3.96Å; V133-A139 HydrophobicContact CG1-CB 4.15Å; V133-G317 PolarHBondContact N-O 2.8Å; V133-N318 PolarHBondContact O-ND2 2.76Å |
| 134 | E | 92.5 | Very high | 94.3 | Very high | 162 Ų | 162 | 58 Ų | 58 | 76% | 0.757 | 30% | 0.304 | S | S | * | . | trans | -105.4 | 164.5 | 176.9 | -60.4 | -175.1 | 161.9 | 0 | 0 | 111.1 | ||||
| 135 | G | 90.4 | Very high | 94.3 | Very high | 71 Ų | 71 | 58.5 Ų | 58.5 | 73% | 0.732 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 93.7 | -144.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 136 | E | 89.8 | Confident | 94.3 | Very high | 114 Ų | 114 | 55.6 Ų | 55.6 | 53% | 0.533 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -61.3 | 148.5 | -177.4 | -66.9 | -61.3 | 146.8 | 0 | 0 | 112.3 | Y138 A139 | E136-Y138 HydrophobicContact CB-CD1 4.24Å; E136-Y138 HydrophobicContact CB-CE1 3.91Å; E136-Y138 HydrophobicContact CB-CE2 4.19Å; E136-Y138 HydrophobicContact CG-CE1 4.36Å; E136-Y138 PolarHBondContact O-N 2.8Å; E136-A139 HydrophobicContact CB-CB 4.4Å; E136-A139 WeakPolarHBondContact O-CB 3.39Å; E136-A139 PolarHBondContact O-N 2.93Å |
| 137 | P | 87.8 | Confident | 94.3 | Very high | 41 Ų | 41 | 53.7 Ų | 53.7 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.4 | -178.8 | -28.6 | 36.4 | 0 | 0 | 0 | 115.9 | A290 E323 | P137-A290 HydrophobicContact CB-CB 3.39Å; P137-E323 HydrophobicContact CB-CG 4.25Å; P137-E323 HydrophobicContact CG-CG 4.35Å; P137-E323 WeakPolarHBondContact CG-OE2 3.41Å |
| 138 | Y | 88.6 | Confident | 94.3 | Very high | 62 Ų | 62 | 51.9 Ų | 51.9 | 24% | 0.243 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 8.4 | 179.7 | 54.6 | -94.3 | 0 | 0 | 0 | 113.8 | E136 Y244 K314 | E136-Y138 HydrophobicContact CB-CD1 4.24Å; E136-Y138 HydrophobicContact CB-CE1 3.91Å; E136-Y138 HydrophobicContact CB-CE2 4.19Å; E136-Y138 HydrophobicContact CG-CE1 4.36Å; E136-Y138 PolarHBondContact O-N 2.8Å; Y138-Y244 HydrophobicContact CD1-CD1 4.07Å; Y138-Y244 AromaticContact CD1-CE1 3.92Å; Y138-Y244 HydrophobicContact CD1-CE1 3.92Å; Y138-Y244 AromaticContact CD2-CD1 3.84Å; Y138-Y244 HydrophobicContact CD2-CD1 3.84Å; Y138-Y244 AromaticContact CD2-CE1 3.94Å; Y138-Y244 HydrophobicContact CD2-CE1 3.94Å; Y138-Y244 HydrophobicContact CE1-CD1 4.02Å; Y138-Y244 HydrophobicContact CE1-CE1 4.33Å; Y138-Y244 AromaticContact CE2-CD1 3.79Å; Y138-Y244 HydrophobicContact CE2-CD1 3.79Å; Y138-Y244 HydrophobicContact CE2-CE1 4.35Å; Y138-Y244 AromaticContact CG-CD1 3.98Å; Y138-Y244 HydrophobicContact CG-CD1 3.98Å; Y138-Y244 AromaticContact CG-CE1 3.71Å; Y138-Y244 HydrophobicContact CG-CE1 3.71Å; Y138-Y244 AromaticContact CZ-CD1 3.87Å; Y138-K314 PolarHBondContact O-NZ 3.27Å |
| 139 | A | 90.9 | Very high | 94.3 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 23% | 0.231 | 25% | 0.252 | C | S | . | . | trans | -69.8 | 168.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.9 | V133 E136 | V133-A139 HydrophobicContact CG1-CB 4.15Å; E136-A139 HydrophobicContact CB-CB 4.4Å; E136-A139 WeakPolarHBondContact O-CB 3.39Å; E136-A139 PolarHBondContact O-N 2.93Å | ||
| 140 | G | 92.8 | Very high | 94.4 | Very high | 28 Ų | 28 | 44.7 Ų | 44.7 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 79.6 | 176.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y127 K314 | Y127-G140 WeakPolarHBondContact OH-CA 3.36Å; G140-K314 PolarHBondContact O-NZ 3.19Å |
| 141 | Y | 94.7 | Very high | 94.3 | Very high | 54 Ų | 54 | 38.5 Ų | 38.5 | 21% | 0.212 | 21% | 0.212 | C | C | . | . | trans | -78.1 | 162.6 | 175.1 | -52.7 | -60 | 0 | 0 | 0 | 112.6 | R126 Y127 R143 E210 | R126-Y141 HydrophobicContact CB-CD2 4.05Å; R126-Y141 HydrophobicContact CB-CG 4.34Å; R126-Y141 HydrophobicContact CG-CG 4.4Å; R126-Y141 VanDerWaalsContact NH2-CE2 3.32Å; R126-Y141 VanDerWaalsContact NH2-CZ 3.26Å; Y127-Y141 AromaticContact CE1-CD2 3.94Å; Y127-Y141 HydrophobicContact CE1-CD2 3.94Å; Y127-Y141 HydrophobicContact CE1-CE2 4.35Å; Y127-Y141 AromaticContact CE2-CD2 3.75Å; Y127-Y141 HydrophobicContact CE2-CD2 3.75Å; Y127-Y141 HydrophobicContact CE2-CG 4.17Å; Y127-Y141 AromaticContact CZ-CD2 3.31Å; Y127-Y141 WeakPolarHBondContact OH-CD2 3.47Å; Y127-Y141 PolarHBondContact OH-N 3.18Å; Y141-R143 PolarHBondContact O-N 3.26Å; Y141-E210 WeakPolarHBondContact OH-CG 3.02Å; Y141-E210 PolarHBondContact OH-OE1 2.86Å | ||
| 142 | D | 95.8 | Very high | 94.1 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | trans | -56.1 | 132.8 | 164.4 | -85.8 | 18.7 | 0 | 0 | 0 | 110.7 | Q107 K123 A313 K314 | Q107-D142 HydrophobicContact CB-CB 4.3Å; Q107-D142 WeakPolarHBondContact CG-OD1 3.36Å; K123-D142 HydrophobicContact CD-CB 4.4Å; K123-D142 IonicContact NZ-OD2 3.9Å; K123-D142 PolarHBondContact NZ-OD2 2.98Å; D142-A313 HydrophobicContact CB-CB 3.51Å; D142-A313 WeakPolarHBondContact OD2-CB 3.44Å; D142-K314 WeakPolarHBondContact OD1-CE 3.46Å | ||
| 143 | R | 96.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 6% | 0.06 | 17% | 0.174 | C | C | . | . | trans | -105.2 | 118.1 | 178.5 | -70.9 | 166.4 | -66 | -98.4 | 7.2 | 109.2 | Y127 Y141 N145 A146 A313 K314 S315 | Y127-R143 HydrophobicContact CD2-CG 3.88Å; Y127-R143 HydrophobicContact CE2-CG 4.44Å; Y141-R143 PolarHBondContact O-N 3.26Å; R143-N145 PolarHBondContact O-N 3.01Å; R143-A146 HydrophobicContact CB-CB 3.77Å; R143-A146 VanDerWaalsContact O-CB 3.29Å; R143-A146 WeakPolarHBondContact O-CB 3.23Å; R143-A146 PolarHBondContact O-N 3.27Å; R143-A313 PolarHBondContact N-O 3.18Å; R143-K314 PolarHBondContact NH2-O 2.77Å; R143-S315 VanDerWaalsContact CZ-O 3.22Å; R143-S315 PolarHBondContact NE-O 2.9Å; R143-S315 PolarHBondContact NH2-O 3.08Å | ||
| 144 | H | 97.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.9 | -38.6 | -177.5 | 71.3 | -63.2 | 0 | 0 | 0 | 112.4 | K123 K125 R129 A146 E147 V148 E220 S222 | K123-H144 VanDerWaalsContact O-CB 3.23Å; K123-H144 WeakPolarHBondContact O-CB 3.33Å; K125-H144 WeakPolarHBondContact CA-ND1 3.48Å; K125-H144 VanDerWaalsContact CB-CE1 3.49Å; K125-H144 WeakPolarHBondContact CB-CE1 3.23Å; R129-H144 PolarHBondContact NH1-CE1 3.39Å; R129-H144 VanDerWaalsContact NH1-CE1 3.25Å; R129-H144 PolarHBondContact NH1-NE2 3.38Å; H144-A146 PolarHBondContact O-N 2.92Å; H144-E147 PolarHBondContact O-N 2.9Å; H144-V148 PolarHBondContact O-N 2.9Å; H144-E220 IonicContact CD2-OE1 3.21Å; H144-E220 IonicContact CE1-OE1 2.68Å; H144-E220 PolarHBondContact CE1-OE1 3.38Å; H144-E220 IonicContact NE2-OE1 3.54Å; H144-E220 PolarHBondContact NE2-OE1 3.25Å; H144-S222 WeakPolarHBondContact CB-OG 3.28Å; H144-S222 WeakPolarHBondContact O-CB 3.45Å |
| 145 | N | 97.6 | Very high | 92.4 | Very high | 14 Ų | 14 | 23.3 Ų | 23.3 | 8% | 0.075 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.2 | -26.1 | 177 | 67.5 | -53.5 | 0 | 0 | 0 | 112.2 | R143 A149 V368 | R143-N145 PolarHBondContact O-N 3.01Å; N145-A149 VanDerWaalsContact O-CB 3.3Å; N145-A149 WeakPolarHBondContact O-CB 3.27Å; N145-A149 PolarHBondContact O-N 3.44Å; N145-V368 HydrophobicContact CB-CG1 3.96Å; N145-V368 WeakPolarHBondContact CB-O 3.25Å; N145-V368 PolarHBondContact ND2-O 3.47Å; N145-V368 VanDerWaalsContact O-CG1 3.29Å; N145-V368 WeakPolarHBondContact O-CG1 3.38Å |
| 146 | A | 97.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -70.5 | -35.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R143 H144 A150 S315 F316 | R143-A146 HydrophobicContact CB-CB 3.77Å; R143-A146 VanDerWaalsContact O-CB 3.29Å; R143-A146 WeakPolarHBondContact O-CB 3.23Å; R143-A146 PolarHBondContact O-N 3.27Å; H144-A146 PolarHBondContact O-N 2.92Å; A146-A150 WeakPolarHBondContact O-CB 3.47Å; A146-A150 PolarHBondContact O-N 3.49Å; A146-S315 WeakPolarHBondContact CB-O 3.38Å; A146-S315 WeakPolarHBondContact CB-OG 3.3Å; A146-F316 HydrophobicContact CB-CB 4.36Å; A146-F316 HydrophobicContact CB-CD2 3.93Å |
| 147 | E | 96.8 | Very high | 89.2 | Confident | 6 Ų | 6 | 17 Ų | 17 | 3% | 0.028 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 172.5 | -66.1 | -72.6 | -172.2 | 0 | 0 | 111.5 | K123 H144 A149 A150 F151 V167 N312 A313 | K123-E147 HydrophobicContact CD-CG 4.15Å; K123-E147 WeakPolarHBondContact CE-OE1 3.35Å; K123-E147 IonicContact NZ-OE1 3.72Å; K123-E147 PolarHBondContact NZ-OE1 2.84Å; H144-E147 PolarHBondContact O-N 2.9Å; E147-A149 PolarHBondContact O-N 2.94Å; E147-A150 PolarHBondContact O-N 2.69Å; E147-F151 PolarHBondContact O-N 2.72Å; E147-V167 HydrophobicContact CB-CG1 3.98Å; E147-N312 PolarHBondContact OE1-N 2.86Å; E147-N312 VanDerWaalsContact OE1-N 3.13Å; E147-N312 WeakPolarHBondContact OE2-CB 3.33Å; E147-N312 PolarHBondContact OE2-N 3.25Å; E147-A313 HydrophobicContact CG-CB 3.74Å; E147-A313 VanDerWaalsContact OE1-CB 3.25Å; E147-A313 WeakPolarHBondContact OE1-CB 3.43Å; E147-A313 PolarHBondContact OE1-N 2.92Å |
| 148 | V | 96.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.6 | -49.1 | 177 | 176.5 | 0 | 0 | 0 | 0 | 110 | H144 A150 F151 H152 V167 L360 D363 I365 V368 | H144-V148 PolarHBondContact O-N 2.9Å; V148-A150 PolarHBondContact O-N 3.45Å; V148-F151 PolarHBondContact O-N 2.94Å; V148-H152 PolarHBondContact O-CD2 2.78Å; V148-H152 VanDerWaalsContact O-CD2 3.27Å; V148-H152 PolarHBondContact O-N 2.86Å; V148-V167 HydrophobicContact CB-CG1 4.45Å; V148-V167 HydrophobicContact CG2-CG1 3.84Å; V148-L360 HydrophobicContact CG1-CD2 4.41Å; V148-D363 HydrophobicContact CG1-CB 4.26Å; V148-D363 VanDerWaalsContact CG1-OD2 3.22Å; V148-D363 WeakPolarHBondContact CG1-OD2 3.44Å; V148-I365 HydrophobicContact CG2-CD1 4.27Å; V148-V368 HydrophobicContact CB-CG1 3.9Å; V148-V368 HydrophobicContact CG1-CG1 3.79Å; V148-V368 HydrophobicContact CG1-CG2 4.04Å |
| 149 | A | 96.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | N145 E147 H152 L153 F316 M356 L360 V368 L369 | N145-A149 VanDerWaalsContact O-CB 3.3Å; N145-A149 WeakPolarHBondContact O-CB 3.27Å; N145-A149 PolarHBondContact O-N 3.44Å; E147-A149 PolarHBondContact O-N 2.94Å; A149-H152 PolarHBondContact O-N 2.88Å; A149-L153 VanDerWaalsContact O-CB 3.31Å; A149-L153 WeakPolarHBondContact O-CB 3.47Å; A149-L153 PolarHBondContact O-N 3.06Å; A149-F316 HydrophobicContact CB-CD2 4.12Å; A149-F316 HydrophobicContact CB-CE2 3.58Å; A149-F316 HydrophobicContact CB-CZ 3.98Å; A149-M356 HydrophobicContact CB-CE 4.36Å; A149-M356 WeakPolarHBondContact O-CE 3.49Å; A149-L360 HydrophobicContact CB-CD2 4.48Å; A149-V368 HydrophobicContact CB-CG1 4.28Å; A149-L369 HydrophobicContact CB-CD1 3.82Å; A149-L369 HydrophobicContact CB-CD2 3.75Å; A149-L369 HydrophobicContact CB-CG 3.78Å |
| 150 | A | 95.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.6 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A146 E147 V148 L153 D154 F283 I287 N312 | A146-A150 WeakPolarHBondContact O-CB 3.47Å; A146-A150 PolarHBondContact O-N 3.49Å; E147-A150 PolarHBondContact O-N 2.69Å; V148-A150 PolarHBondContact O-N 3.45Å; A150-L153 PolarHBondContact O-N 3.4Å; A150-D154 WeakPolarHBondContact O-CB 3.36Å; A150-D154 PolarHBondContact O-N 3.25Å; A150-F283 HydrophobicContact CB-CE1 4.46Å; A150-F283 HydrophobicContact CB-CZ 3.88Å; A150-F283 WeakPolarHBondContact O-CZ 3.29Å; A150-I287 HydrophobicContact CB-CD1 4.41Å; A150-N312 HydrophobicContact CB-CB 3.37Å |
| 151 | F | 94.1 | Very high | 85.3 | Confident | 1 Ų | 1 | 11.1 Ų | 11.1 | 0% | 0.004 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -59.3 | -50.1 | 173.3 | 161.4 | -111.5 | 0 | 0 | 0 | 111.7 | Y77 L84 L88 E147 V148 L153 D154 I155 P165 L166 V167 | Y77-F151 HydrophobicContact CE1-CE2 4.15Å; L84-F151 HydrophobicContact CD1-CZ 4.42Å; L88-F151 HydrophobicContact CD1-CE1 3.99Å; L88-F151 HydrophobicContact CD1-CZ 4.2Å; L88-F151 HydrophobicContact CD2-CE1 3.99Å; L88-F151 HydrophobicContact CD2-CZ 4.1Å; E147-F151 PolarHBondContact O-N 2.72Å; V148-F151 PolarHBondContact O-N 2.94Å; F151-L153 PolarHBondContact O-N 2.65Å; F151-D154 PolarHBondContact O-N 2.93Å; F151-I155 HydrophobicContact CE2-CB 4.3Å; F151-I155 HydrophobicContact CE2-CD1 3.88Å; F151-I155 HydrophobicContact CZ-CD1 3.85Å; F151-I155 HydrophobicContact CZ-CG2 4.44Å; F151-I155 WeakPolarHBondContact O-CG2 3.5Å; F151-I155 PolarHBondContact O-N 3Å; F151-P165 VanDerWaalsContact CD2-O 3.26Å; F151-P165 WeakPolarHBondContact CD2-O 3.21Å; F151-L166 HydrophobicContact CE2-CD2 3.56Å; F151-L166 HydrophobicContact CZ-CD2 3.82Å; F151-V167 HydrophobicContact CB-CB 3.74Å; F151-V167 HydrophobicContact CB-CG2 3.8Å; F151-V167 HydrophobicContact CD1-CB 4.21Å; F151-V167 WeakPolarHBondContact CD1-O 3.23Å; F151-V167 WeakPolarHBondContact CE1-O 3.03Å; F151-V167 HydrophobicContact CG-CB 4.06Å; F151-V167 HydrophobicContact CG-CG2 4.34Å |
| 152 | H | 91.6 | Very high | 85.1 | Confident | 4 Ų | 4 | 10.6 Ų | 10.6 | 2% | 0.019 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.3 | -27.1 | 179.6 | -82.5 | -76.9 | 0 | 0 | 0 | 113.2 | V148 A149 I155 L156 M356 A359 L360 | V148-H152 PolarHBondContact O-CD2 2.78Å; V148-H152 VanDerWaalsContact O-CD2 3.27Å; V148-H152 PolarHBondContact O-N 2.86Å; A149-H152 PolarHBondContact O-N 2.88Å; H152-I155 WeakPolarHBondContact O-CG2 3.26Å; H152-L156 WeakPolarHBondContact O-CB 3.46Å; H152-L156 PolarHBondContact O-N 3.22Å; H152-M356 HydrophobicContact CB-CE 3.35Å; H152-A359 HydrophobicContact CB-CB 4.45Å; H152-A359 PolarHBondContact CE1-O 3.49Å; H152-A359 PolarHBondContact ND1-O 3.39Å; H152-L360 HydrophobicContact CB-CD2 3.78Å |
| 153 | L | 90 | Very high | 84.9 | Confident | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -76.2 | -41 | 174 | -176.2 | 67 | 0 | 0 | 0 | 111.8 | A149 A150 F151 L156 L159 F283 L286 I287 L352 M356 L377 | A149-L153 VanDerWaalsContact O-CB 3.31Å; A149-L153 WeakPolarHBondContact O-CB 3.47Å; A149-L153 PolarHBondContact O-N 3.06Å; A150-L153 PolarHBondContact O-N 3.4Å; F151-L153 PolarHBondContact O-N 2.65Å; L153-L156 WeakPolarHBondContact O-CB 3.31Å; L153-L156 PolarHBondContact O-N 3.06Å; L153-L159 HydrophobicContact CD1-CD1 3.38Å; L153-L159 HydrophobicContact CD2-CD1 4.23Å; L153-L159 HydrophobicContact CG-CD1 3.47Å; L153-L159 VanDerWaalsContact CG-CD1 3.47Å; L153-L159 WeakPolarHBondContact O-CD1 3.4Å; L153-F283 HydrophobicContact CB-CE2 4.16Å; L153-F283 HydrophobicContact CD2-CD2 4.14Å; L153-F283 HydrophobicContact CD2-CE2 3.91Å; L153-F283 HydrophobicContact CG-CD2 4.43Å; L153-F283 HydrophobicContact CG-CE2 4.06Å; L153-L286 HydrophobicContact CD2-CB 4.33Å; L153-I287 HydrophobicContact CD2-CG2 3.31Å; L153-L352 HydrophobicContact CD1-CD1 3.74Å; L153-M356 HydrophobicContact CB-CE 4.29Å; L153-M356 HydrophobicContact CB-SD 3.95Å; L153-M356 HydrophobicContact CD1-SD 3.98Å; L153-L377 HydrophobicContact CD2-CD2 4.39Å |
| 154 | D | 84.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -62.5 | -42.5 | 175.7 | 172.3 | 69.4 | 0 | 0 | 0 | 111.9 | Y77 A150 F151 L156 F161 R162 R163 A164 F283 L309 | Y77-D154 PolarHBondContact OH-OD2 3.07Å; A150-D154 WeakPolarHBondContact O-CB 3.36Å; A150-D154 PolarHBondContact O-N 3.25Å; F151-D154 PolarHBondContact O-N 2.93Å; D154-L156 VanDerWaalsContact C-N 3.33Å; D154-F161 PolarHBondContact O-N 3.49Å; D154-F161 WeakPolarHBondContact OD1-CB 3.42Å; D154-R162 PolarHBondContact OD1-N 2.98Å; D154-R162 VanDerWaalsContact OD1-N 3.14Å; D154-R162 WeakPolarHBondContact OD2-CA 3.42Å; D154-R163 PolarHBondContact OD1-N 3.34Å; D154-R163 PolarHBondContact OD2-N 3.32Å; D154-A164 HydrophobicContact CB-CB 3.83Å; D154-A164 VanDerWaalsContact OD2-CB 3.31Å; D154-A164 WeakPolarHBondContact OD2-CB 3.43Å; D154-A164 PolarHBondContact OD2-N 3.4Å; D154-F283 HydrophobicContact CB-CE2 4.09Å; D154-F283 HydrophobicContact CB-CZ 4.47Å; D154-L309 HydrophobicContact CB-CD1 4.37Å; D154-L309 WeakPolarHBondContact OD1-CD1 3.49Å |
| 155 | I | 74.1 | Confident | 84.6 | Confident | 30 Ų | 30 | 9.8 Ų | 9.8 | 15% | 0.154 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -78.6 | -19 | 177.1 | -161.9 | 148.8 | 0 | 0 | 0 | 113 | Y77 L84 F151 H152 R157 | Y77-I155 HydrophobicContact CD2-CD1 3.86Å; Y77-I155 HydrophobicContact CD2-CG1 4.28Å; Y77-I155 HydrophobicContact CE1-CD1 4.26Å; Y77-I155 HydrophobicContact CE2-CB 3.97Å; Y77-I155 HydrophobicContact CE2-CD1 3.34Å; Y77-I155 HydrophobicContact CE2-CG1 3.4Å; Y77-I155 WeakPolarHBondContact OH-CA 3.47Å; Y77-I155 WeakPolarHBondContact OH-CB 3.48Å; Y77-I155 PolarHBondContact OH-N 2.92Å; Y77-I155 VanDerWaalsContact OH-N 3.16Å; L84-I155 HydrophobicContact CD1-CD1 4.18Å; L84-I155 HydrophobicContact CD2-CD1 3.36Å; L84-I155 HydrophobicContact CD2-CG1 4.41Å; L84-I155 HydrophobicContact CG-CD1 4.4Å; F151-I155 HydrophobicContact CE2-CB 4.3Å; F151-I155 HydrophobicContact CE2-CD1 3.88Å; F151-I155 HydrophobicContact CZ-CD1 3.85Å; F151-I155 HydrophobicContact CZ-CG2 4.44Å; F151-I155 WeakPolarHBondContact O-CG2 3.5Å; F151-I155 PolarHBondContact O-N 3Å; H152-I155 WeakPolarHBondContact O-CG2 3.26Å; I155-R157 VanDerWaalsContact O-CA 3.32Å; I155-R157 WeakPolarHBondContact O-CA 3.41Å; I155-R157 PolarHBondContact O-N 3.06Å |
| 156 | L | 57.4 | Low | 84.5 | Confident | 2 Ų | 2 | 9.4 Ų | 9.4 | 1% | 0.01 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -49.4 | 111 | -179.1 | -159.8 | 130.3 | 0 | 0 | 0 | 106.4 | L48 H152 L153 D154 I158 L159 G160 L347 L352 A355 M356 | L48-L156 HydrophobicContact CD2-CD1 4.38Å; L48-L156 HydrophobicContact CD2-CG 3.91Å; H152-L156 WeakPolarHBondContact O-CB 3.46Å; H152-L156 PolarHBondContact O-N 3.22Å; L153-L156 WeakPolarHBondContact O-CB 3.31Å; L153-L156 PolarHBondContact O-N 3.06Å; D154-L156 VanDerWaalsContact C-N 3.33Å; L156-I158 HydrophobicContact CD2-CB 4.16Å; L156-I158 CarbonylContact O-C 3.54Å; L156-I158 VanDerWaalsContact O-C 3.31Å; L156-I158 PolarHBondContact O-N 3.17Å; L156-L159 PolarHBondContact O-N 3.46Å; L156-G160 PolarHBondContact O-N 2.96Å; L156-L347 HydrophobicContact CD2-CD1 4.44Å; L156-L347 HydrophobicContact CD2-CD2 3.72Å; L156-L352 HydrophobicContact CD2-CD1 4.49Å; L156-A355 HydrophobicContact CD1-CB 3.86Å; L156-A355 HydrophobicContact CD2-CB 4.12Å; L156-A355 HydrophobicContact CG-CB 4.33Å; L156-M356 HydrophobicContact CD1-CB 4.44Å; L156-M356 HydrophobicContact CD1-SD 4.07Å |
| 157 | R | 55.6 | Low | 84.5 | Confident | 50 Ų | 50 | 9.6 Ų | 9.6 | 19% | 0.189 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -18.9 | -157.7 | -166.3 | 165 | -174.8 | 171.5 | 15.7 | 112.7 | M44 E79 I155 R343 | M44-R157 HydrophobicContact CB-CB 4.33Å; M44-R157 HydrophobicContact CG-CB 3.86Å; E79-R157 PolarHBondContact O-NH2 3.38Å; I155-R157 VanDerWaalsContact O-CA 3.32Å; I155-R157 WeakPolarHBondContact O-CA 3.41Å; I155-R157 PolarHBondContact O-N 3.06Å; R157-R343 PolarHBondContact O-NH1 3.29Å |
| 158 | I | 51.5 | Low | 84.5 | Confident | 10 Ų | 10 | 9.3 Ų | 9.3 | 5% | 0.051 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -56.7 | 166.1 | -64.8 | 165.9 | 0 | 0 | 0 | 113.7 | F41 M44 L156 G160 R343 F346 L347 | F41-I158 HydrophobicContact CE2-CD1 4.48Å; M44-I158 HydrophobicContact CB-CG1 4.24Å; M44-I158 HydrophobicContact CE-CD1 3.14Å; M44-I158 HydrophobicContact CE-CG1 3.69Å; M44-I158 HydrophobicContact CG-CD1 4.13Å; M44-I158 HydrophobicContact CG-CG1 3.64Å; M44-I158 HydrophobicContact SD-CD1 3.42Å; M44-I158 WeakPolarHBondContact SD-CD1 3.41Å; M44-I158 HydrophobicContact SD-CG1 3.66Å; L156-I158 HydrophobicContact CD2-CB 4.16Å; L156-I158 CarbonylContact O-C 3.54Å; L156-I158 VanDerWaalsContact O-C 3.31Å; L156-I158 PolarHBondContact O-N 3.17Å; I158-G160 PolarHBondContact O-N 3.22Å; I158-R343 HydrophobicContact CG2-CB 3.68Å; I158-R343 HydrophobicContact CG2-CG 4.18Å; I158-R343 WeakPolarHBondContact CG2-O 3.41Å; I158-R343 WeakPolarHBondContact O-CB 3.49Å; I158-R343 WeakPolarHBondContact O-CD 3.45Å; I158-R343 WeakPolarHBondContact O-CG 3.39Å; I158-R343 PolarHBondContact O-NH1 2.89Å; I158-F346 HydrophobicContact CD1-CB 4.32Å; I158-F346 HydrophobicContact CG2-CB 4.4Å; I158-L347 HydrophobicContact CB-CD1 3.97Å; I158-L347 HydrophobicContact CB-CD2 3.91Å; I158-L347 HydrophobicContact CB-CG 3.93Å; I158-L347 HydrophobicContact CD1-CD2 3.3Å; I158-L347 HydrophobicContact CD1-CG 3.79Å; I158-L347 HydrophobicContact CG1-CD2 4.2Å; I158-L347 HydrophobicContact CG1-CG 4.47Å; I158-L347 HydrophobicContact CG2-CD1 3.56Å; I158-L347 HydrophobicContact CG2-CD2 4.09Å; I158-L347 HydrophobicContact CG2-CG 3.53Å |
| 159 | L | 70.9 | Confident | 84.5 | Confident | 2 Ų | 2 | 9.3 Ų | 9.3 | 1% | 0.01 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -42.9 | 178.6 | -81.8 | 172.3 | 0 | 0 | 0 | 110.4 | L153 L156 F161 L286 R343 L344 L347 | L153-L159 HydrophobicContact CD1-CD1 3.38Å; L153-L159 HydrophobicContact CD2-CD1 4.23Å; L153-L159 HydrophobicContact CG-CD1 3.47Å; L153-L159 VanDerWaalsContact CG-CD1 3.47Å; L153-L159 WeakPolarHBondContact O-CD1 3.4Å; L156-L159 PolarHBondContact O-N 3.46Å; L159-F161 HydrophobicContact CB-CD2 4.27Å; L159-F161 HydrophobicContact CB-CE2 4.4Å; L159-F161 HydrophobicContact CD2-CE2 3.94Å; L159-F161 HydrophobicContact CD2-CZ 4.26Å; L159-F161 PolarHBondContact O-N 2.84Å; L159-L286 HydrophobicContact CD1-CD1 4.29Å; L159-L286 HydrophobicContact CD2-CD1 4.45Å; L159-R343 WeakPolarHBondContact O-CD 3.32Å; L159-L344 HydrophobicContact CD2-CD2 3.73Å; L159-L347 HydrophobicContact CD2-CD1 4.31Å; L159-L347 HydrophobicContact CG-CD1 4.01Å |
| 160 | G | 72.3 | Confident | 84.6 | Confident | 11 Ų | 11 | 9.9 Ų | 9.9 | 11% | 0.113 | 5% | 0.046 | C | C | . | . | trans | 55.3 | 30.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L156 I158 R162 | L156-G160 PolarHBondContact O-N 2.96Å; I158-G160 PolarHBondContact O-N 3.22Å; G160-R162 PolarHBondContact O-NH1 2.9Å | ||
| 161 | F | 83.9 | Confident | 84.8 | Confident | 13 Ų | 13 | 15.2 Ų | 15.2 | 6% | 0.057 | 7% | 0.067 | C | C | . | . | trans | -70.2 | -42.9 | 176.8 | -71.7 | -41.6 | 0 | 0 | 0 | 109.8 | D154 L159 R163 D279 F283 T340 | D154-F161 PolarHBondContact O-N 3.49Å; D154-F161 WeakPolarHBondContact OD1-CB 3.42Å; L159-F161 HydrophobicContact CB-CD2 4.27Å; L159-F161 HydrophobicContact CB-CE2 4.4Å; L159-F161 HydrophobicContact CD2-CE2 3.94Å; L159-F161 HydrophobicContact CD2-CZ 4.26Å; L159-F161 PolarHBondContact O-N 2.84Å; F161-R163 VanDerWaalsContact C-N 3.28Å; F161-R163 HydrophobicContact CB-CG 4.01Å; F161-R163 WeakPolarHBondContact O-CG 3.48Å; F161-R163 PolarHBondContact O-N 2.92Å; F161-D279 HydrophobicContact CD1-CB 4.31Å; F161-D279 HydrophobicContact CE1-CB 3.63Å; F161-D279 VanDerWaalsContact CE1-CG 3.48Å; F161-D279 HydrophobicContact CZ-CB 3.9Å; F161-F283 HydrophobicContact CD2-CB 4.43Å; F161-F283 HydrophobicContact CD2-CD2 4.26Å; F161-F283 HydrophobicContact CE2-CB 4.01Å; F161-F283 HydrophobicContact CE2-CD2 4.41Å; F161-T340 HydrophobicContact CE1-CG2 3.91Å; F161-T340 HydrophobicContact CZ-CG2 3.85Å | ||
| 162 | R | 90.2 | Very high | 84.9 | Confident | 43 Ų | 43 | 15.2 Ų | 15.2 | 16% | 0.162 | 7% | 0.067 | C | C | . | . | trans | 56.4 | 41.9 | 177.6 | -49 | -170.5 | -63.2 | -72.4 | -1.4 | 112.5 | E75 V76 Y77 D154 G160 | E75-R162 CarbonylContact C-O 3.59Å; E75-R162 WeakPolarHBondContact CA-O 3.4Å; E75-R162 HydrophobicContact CB-CB 4.23Å; E75-R162 IonicContact OE2-CZ 2.57Å; E75-R162 IonicContact OE2-NE 3.63Å; E75-R162 PolarHBondContact OE2-NE 2.89Å; E75-R162 VanDerWaalsContact OE2-NE 3.1Å; E75-R162 IonicContact OE2-NH2 3.63Å; E75-R162 PolarHBondContact OE2-NH2 2.81Å; V76-R162 PolarHBondContact N-O 3.05Å; Y77-R162 HydrophobicContact CD2-CB 4.05Å; Y77-R162 HydrophobicContact CD2-CG 4.05Å; Y77-R162 HydrophobicContact CE2-CB 3.62Å; Y77-R162 HydrophobicContact CE2-CG 3.48Å; Y77-R162 VanDerWaalsContact CE2-CG 3.48Å; Y77-R162 WeakPolarHBondContact O-CD 3.13Å; Y77-R162 PolarHBondContact O-NE 2.99Å; Y77-R162 WeakPolarHBondContact OH-CA 3.34Å; D154-R162 PolarHBondContact OD1-N 2.98Å; D154-R162 VanDerWaalsContact OD1-N 3.14Å; D154-R162 WeakPolarHBondContact OD2-CA 3.42Å; G160-R162 PolarHBondContact O-NH1 2.9Å | ||
| 163 | R | 92.7 | Very high | 85.2 | Confident | 13 Ų | 13 | 16.7 Ų | 16.7 | 5% | 0.049 | 8% | 0.075 | C | C | . | . | trans | -115.7 | -7.8 | -173.6 | -48.7 | -167.5 | -172.4 | 157.5 | -6.7 | 113.3 | D154 F161 D276 D279 M306 L307 I308 L309 | D154-R163 PolarHBondContact OD1-N 3.34Å; D154-R163 PolarHBondContact OD2-N 3.32Å; F161-R163 VanDerWaalsContact C-N 3.28Å; F161-R163 HydrophobicContact CB-CG 4.01Å; F161-R163 WeakPolarHBondContact O-CG 3.48Å; F161-R163 PolarHBondContact O-N 2.92Å; R163-D276 IonicContact CZ-OD1 3.12Å; R163-D276 PolarHBondContact NH1-O 2.97Å; R163-D276 IonicContact NH1-OD1 3.47Å; R163-D276 IonicContact NH2-OD1 3.4Å; R163-D276 PolarHBondContact NH2-OD1 3.32Å; R163-D279 IonicContact CZ-OD2 2.65Å; R163-D279 IonicContact NH1-OD2 2.86Å; R163-D279 IonicContact NH2-OD2 3.82Å; R163-D279 PolarHBondContact NH2-OD2 3.48Å; R163-M306 HydrophobicContact CB-CE 4.43Å; R163-M306 HydrophobicContact CB-SD 4.06Å; R163-M306 HydrophobicContact CG-CE 4.46Å; R163-M306 HydrophobicContact CG-SD 3.56Å; R163-M306 VanDerWaalsContact CG-SD 3.56Å; R163-L307 WeakPolarHBondContact CB-O 3.42Å; R163-L307 WeakPolarHBondContact CD-O 3.22Å; R163-I308 WeakPolarHBondContact O-CA 3.46Å; R163-I308 WeakPolarHBondContact O-CG2 3.37Å; R163-L309 HydrophobicContact CB-CB 4.46Å; R163-L309 HydrophobicContact CB-CD1 4.08Å; R163-L309 HydrophobicContact CB-CG 3.91Å; R163-L309 PolarHBondContact O-N 3.48Å | ||
| 164 | A | 93.3 | Very high | 85.6 | Confident | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.008 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -91.3 | 147.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y77 D154 L309 | Y77-A164 WeakPolarHBondContact CE1-O 3.44Å; D154-A164 HydrophobicContact CB-CB 3.83Å; D154-A164 VanDerWaalsContact OD2-CB 3.31Å; D154-A164 WeakPolarHBondContact OD2-CB 3.43Å; D154-A164 PolarHBondContact OD2-N 3.4Å; A164-L309 HydrophobicContact CB-CB 4.1Å |
| 165 | P | 94.4 | Very high | 86.1 | Confident | 6 Ų | 6 | 23.8 Ų | 23.8 | 4% | 0.039 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 162.2 | 167.4 | 29.9 | -36.2 | 0 | 0 | 0 | 111 | F151 V167 T224 L227 L310 | F151-P165 VanDerWaalsContact CD2-O 3.26Å; F151-P165 WeakPolarHBondContact CD2-O 3.21Å; P165-V167 PolarHBondContact O-N 3.32Å; P165-T224 HydrophobicContact CB-CG2 3.82Å; P165-T224 HydrophobicContact CG-CG2 3.44Å; P165-T224 VanDerWaalsContact CG-CG2 3.44Å; P165-L227 HydrophobicContact CB-CD2 4.42Å; P165-L310 HydrophobicContact CG-CD2 3.64Å |
| 166 | L | 95.4 | Very high | 87.2 | Confident | 6 Ų | 6 | 26.7 Ų | 26.7 | 3% | 0.031 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 131.1 | 175.3 | -55.8 | -176.8 | 0 | 0 | 0 | 110.3 | A67 W70 Y77 L84 V87 L88 F151 T224 L225 | A67-L166 HydrophobicContact CB-CD1 4.22Å; W70-L166 HydrophobicContact CZ3-CD1 3.99Å; Y77-L166 HydrophobicContact CD1-CD2 3.9Å; Y77-L166 HydrophobicContact CE1-CD2 4.32Å; L84-L166 HydrophobicContact CD1-CD1 4.47Å; L84-L166 HydrophobicContact CD1-CD2 3.76Å; V87-L166 HydrophobicContact CG1-CD1 3.64Å; L88-L166 HydrophobicContact CD2-CB 4.13Å; F151-L166 HydrophobicContact CE2-CD2 3.56Å; F151-L166 HydrophobicContact CZ-CD2 3.82Å; L166-T224 WeakPolarHBondContact O-CA 3.24Å; L166-L225 HydrophobicContact CB-CB 4.12Å; L166-L225 HydrophobicContact CB-CD2 4.41Å; L166-L225 HydrophobicContact CD1-CD2 3.95Å; L166-L225 HydrophobicContact CG-CD2 4.38Å; L166-L225 PolarHBondContact O-N 3.04Å |
| 167 | V | 96.6 | Very high | 89.1 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 137.5 | 178.3 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | E147 V148 F151 P165 L223 T224 | E147-V167 HydrophobicContact CB-CG1 3.98Å; V148-V167 HydrophobicContact CB-CG1 4.45Å; V148-V167 HydrophobicContact CG2-CG1 3.84Å; F151-V167 HydrophobicContact CB-CB 3.74Å; F151-V167 HydrophobicContact CB-CG2 3.8Å; F151-V167 HydrophobicContact CD1-CB 4.21Å; F151-V167 WeakPolarHBondContact CD1-O 3.23Å; F151-V167 WeakPolarHBondContact CE1-O 3.03Å; F151-V167 HydrophobicContact CG-CB 4.06Å; F151-V167 HydrophobicContact CG-CG2 4.34Å; P165-V167 PolarHBondContact O-N 3.32Å; V167-L223 CarbonylContact C-O 3.59Å; V167-L223 VanDerWaalsContact CA-O 3.26Å; V167-L223 WeakPolarHBondContact CA-O 3.3Å; V167-T224 HydrophobicContact CG2-CG2 4.01Å |
| 168 | V | 97.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 147.2 | 172.3 | 76.7 | 0 | 0 | 0 | 0 | 110.9 | L91 S222 L223 P364 | L91-V168 HydrophobicContact CB-CG1 3.81Å; L91-V168 HydrophobicContact CD2-CB 4.11Å; L91-V168 HydrophobicContact CD2-CG1 3.58Å; L91-V168 HydrophobicContact CG-CG1 3.55Å; V168-S222 WeakPolarHBondContact O-CA 3.14Å; V168-L223 HydrophobicContact CG1-CB 4.21Å; V168-L223 PolarHBondContact N-O 2.89Å; V168-L223 PolarHBondContact O-N 2.97Å; V168-P364 HydrophobicContact CG2-CG 4.27Å |
| 169 | G | 98 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 143 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G221 D363 P364 | G169-G221 WeakPolarHBondContact CA-O 3.48Å; G169-D363 WeakPolarHBondContact CA-OD1 3.48Å; G169-D363 PolarHBondContact N-OD1 2.76Å; G169-D363 PolarHBondContact N-OD2 2.94Å; G169-P364 WeakPolarHBondContact O-CG 3.36Å |
| 170 | R | 97.9 | Very high | 94.6 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 141.9 | 174.7 | -174.4 | 178.1 | 175.3 | 158.7 | -4.8 | 111.8 | L91 S92 A94 V172 E177 G221 L223 | L91-R170 PolarHBondContact O-NH1 3.26Å; S92-R170 VanDerWaalsContact O-CD 3.24Å; S92-R170 WeakPolarHBondContact O-CD 3.36Å; S92-R170 WeakPolarHBondContact O-CG 3.29Å; S92-R170 PolarHBondContact O-NE 3.43Å; A94-R170 VanDerWaalsContact O-CZ 3.28Å; A94-R170 PolarHBondContact O-NH1 3.12Å; A94-R170 PolarHBondContact O-NH2 3.41Å; R170-V172 HydrophobicContact CB-CG2 4.43Å; R170-V172 HydrophobicContact CG-CG2 3.85Å; R170-E177 IonicContact CZ-OE2 2.67Å; R170-E177 IonicContact NE-OE2 3.77Å; R170-E177 IonicContact NH2-OE2 3.94Å; R170-E177 PolarHBondContact NH2-OE2 3.03Å; R170-G221 PolarHBondContact N-O 3.4Å; R170-G221 PolarHBondContact O-N 3.23Å; R170-L223 HydrophobicContact CB-CD1 4.01Å; R170-L223 HydrophobicContact CB-CG 4.32Å; R170-L223 HydrophobicContact CG-CD1 4.35Å |
| 171 | Y | 98.1 | Very high | 95.8 | Very high | 113 Ų | 113 | 35.5 Ų | 35.5 | 44% | 0.443 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 124.9 | 163.3 | -64.6 | -82.3 | 0 | 0 | 0 | 109 | T218 M219 E220 I365 | Y171-T218 HydrophobicContact CD1-CG2 4.12Å; Y171-T218 HydrophobicContact CG-CG2 4.45Å; Y171-M219 WeakPolarHBondContact CA-O 3.29Å; Y171-E220 HydrophobicContact CD1-CB 3.88Å; Y171-E220 HydrophobicContact CD1-CG 4.06Å; Y171-E220 HydrophobicContact CE1-CB 3.69Å; Y171-E220 HydrophobicContact CE1-CG 3.58Å; Y171-I365 HydrophobicContact CD2-CG2 4.28Å; Y171-I365 HydrophobicContact CE2-CB 4.42Å; Y171-I365 HydrophobicContact CE2-CG2 3.8Å |
| 172 | V | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 126.8 | -176.9 | -178 | 0 | 0 | 0 | 0 | 109.1 | I96 F122 R170 L174 E177 I178 M219 | I96-V172 HydrophobicContact CD1-CG1 3.87Å; I96-V172 HydrophobicContact CD1-CG2 4.4Å; F122-V172 HydrophobicContact CE2-CG2 3.95Å; F122-V172 HydrophobicContact CZ-CG2 4.36Å; R170-V172 HydrophobicContact CB-CG2 4.43Å; R170-V172 HydrophobicContact CG-CG2 3.85Å; V172-L174 PolarHBondContact O-N 2.8Å; V172-E177 HydrophobicContact CG1-CB 3.97Å; V172-I178 HydrophobicContact CG1-CD1 3.8Å; V172-I178 HydrophobicContact CG1-CG1 3.56Å; V172-M219 PolarHBondContact N-O 3.01Å; V172-M219 PolarHBondContact O-N 2.95Å |
| 173 | N | 97.8 | Very high | 96.8 | Very high | 35 Ų | 35 | 36 Ų | 36 | 19% | 0.187 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 112.6 | 171.9 | -175.7 | -52.1 | 0 | 0 | 0 | 110 | R175 T176 E177 I178 E217 | N173-R175 PolarHBondContact O-N 3.48Å; N173-R175 WeakPolarHBondContact OD1-CA 3.3Å; N173-R175 WeakPolarHBondContact OD1-CB 3.17Å; N173-R175 PolarHBondContact OD1-N 3.13Å; N173-T176 VanDerWaalsContact CB-OG1 3.26Å; N173-T176 WeakPolarHBondContact CB-OG1 3.21Å; N173-T176 PolarHBondContact O-N 3.43Å; N173-T176 PolarHBondContact OD1-N 3.06Å; N173-T176 PolarHBondContact OD1-OG1 2.7Å; N173-E177 HydrophobicContact CB-CG 4.48Å; N173-E177 PolarHBondContact N-OE1 3.27Å; N173-E177 WeakPolarHBondContact O-CA 3.49Å; N173-E177 VanDerWaalsContact O-CB 3.31Å; N173-E177 WeakPolarHBondContact O-CB 3.38Å; N173-E177 PolarHBondContact O-N 2.81Å; N173-I178 PolarHBondContact O-N 3.49Å; N173-E217 WeakPolarHBondContact CA-O 3.09Å |
| 174 | L | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -64.7 | -28.9 | -175.7 | -63.5 | -177 | 0 | 0 | 0 | 113 | V172 I178 K179 F190 T197 F199 A214 E217 M219 | V172-L174 PolarHBondContact O-N 2.8Å; L174-I178 HydrophobicContact CD2-CB 4.32Å; L174-I178 HydrophobicContact CD2-CG1 3.92Å; L174-K179 WeakPolarHBondContact O-CB 3.49Å; L174-K179 VanDerWaalsContact O-CG 3.3Å; L174-K179 WeakPolarHBondContact O-CG 3.24Å; L174-K179 PolarHBondContact O-N 3.02Å; L174-F190 HydrophobicContact CB-CE1 4.19Å; L174-F190 HydrophobicContact CD1-CE1 4.13Å; L174-T197 HydrophobicContact CB-CG2 4.08Å; L174-T197 HydrophobicContact CD1-CG2 3.84Å; L174-F199 HydrophobicContact CD1-CD1 4.42Å; L174-F199 HydrophobicContact CD2-CE1 4.29Å; L174-A214 HydrophobicContact CD1-CB 3.78Å; L174-A214 HydrophobicContact CG-CB 4.4Å; L174-E217 PolarHBondContact N-O 3.28Å; L174-M219 HydrophobicContact CD1-CB 4.16Å; L174-M219 HydrophobicContact CD1-CE 3.84Å; L174-M219 HydrophobicContact CD1-SD 4.3Å; L174-M219 HydrophobicContact CD2-CB 3.96Å; L174-M219 HydrophobicContact CD2-SD 4.13Å; L174-M219 HydrophobicContact CG-CB 3.96Å |
| 175 | R | 96.1 | Very high | 97 | Very high | 150 Ų | 150 | 46.1 Ų | 46.1 | 57% | 0.566 | 23% | 0.233 | S | C | * | . | I | π-helix | trans | -81.3 | -39.8 | -178.1 | 179.7 | 176.1 | 177.3 | -169.9 | -0.5 | 112.8 | N173 P180 E217 | N173-R175 PolarHBondContact O-N 3.48Å; N173-R175 WeakPolarHBondContact OD1-CA 3.3Å; N173-R175 WeakPolarHBondContact OD1-CB 3.17Å; N173-R175 PolarHBondContact OD1-N 3.13Å; R175-P180 VanDerWaalsContact O-CD 3.25Å; R175-P180 WeakPolarHBondContact O-CD 3.28Å; R175-P180 WeakPolarHBondContact O-CG 3.27Å; R175-E217 HydrophobicContact CB-CG 4.42Å; R175-E217 VanDerWaalsContact CD-CD 3.44Å; R175-E217 WeakPolarHBondContact CD-OE1 3.12Å; R175-E217 WeakPolarHBondContact CD-OE2 3.49Å; R175-E217 IonicContact CZ-OE1 2.81Å; R175-E217 IonicContact NE-OE1 3.96Å; R175-E217 IonicContact NH1-OE1 3.82Å; R175-E217 PolarHBondContact NH1-OE1 3.1Å |
| 176 | T | 97.4 | Very high | 97 | Very high | 90 Ų | 90 | 46 Ų | 46 | 55% | 0.552 | 23% | 0.232 | S | C | * | . | I | π-helix | trans | -98.2 | -30 | -174.2 | 59.5 | 0 | 0 | 0 | 0 | 113 | N173 | N173-T176 VanDerWaalsContact CB-OG1 3.26Å; N173-T176 WeakPolarHBondContact CB-OG1 3.21Å; N173-T176 PolarHBondContact O-N 3.43Å; N173-T176 PolarHBondContact OD1-N 3.06Å; N173-T176 PolarHBondContact OD1-OG1 2.7Å |
| 177 | E | 97.8 | Very high | 97.1 | Very high | 55 Ų | 55 | 48.7 Ų | 48.7 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -105.2 | -28 | -175.7 | -62.5 | 178.3 | -96 | 0 | 0 | 114 | I96 R170 V172 N173 V181 | I96-E177 HydrophobicContact CD1-CB 4.26Å; R170-E177 IonicContact CZ-OE2 2.67Å; R170-E177 IonicContact NE-OE2 3.77Å; R170-E177 IonicContact NH2-OE2 3.94Å; R170-E177 PolarHBondContact NH2-OE2 3.03Å; V172-E177 HydrophobicContact CG1-CB 3.97Å; N173-E177 HydrophobicContact CB-CG 4.48Å; N173-E177 PolarHBondContact N-OE1 3.27Å; N173-E177 WeakPolarHBondContact O-CA 3.49Å; N173-E177 VanDerWaalsContact O-CB 3.31Å; N173-E177 WeakPolarHBondContact O-CB 3.38Å; N173-E177 PolarHBondContact O-N 2.81Å; E177-V181 WeakPolarHBondContact O-CG2 3.31Å |
| 178 | I | 97.8 | Very high | 97 | Very high | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -104.1 | -62.6 | -176.6 | -60.2 | -61.4 | 0 | 0 | 0 | 112.5 | I96 A99 L112 V172 N173 L174 P180 V181 A182 L186 F190 | I96-I178 HydrophobicContact CD1-CD1 3.88Å; I96-I178 HydrophobicContact CG2-CD1 4.33Å; A99-I178 HydrophobicContact CB-CD1 4.23Å; A99-I178 HydrophobicContact CB-CG2 3.99Å; L112-I178 HydrophobicContact CD1-CD1 4.21Å; L112-I178 HydrophobicContact CD2-CD1 3.74Å; V172-I178 HydrophobicContact CG1-CD1 3.8Å; V172-I178 HydrophobicContact CG1-CG1 3.56Å; N173-I178 PolarHBondContact O-N 3.49Å; L174-I178 HydrophobicContact CD2-CB 4.32Å; L174-I178 HydrophobicContact CD2-CG1 3.92Å; I178-P180 VanDerWaalsContact C-N 3.34Å; I178-V181 CarbonylContact O-C 3.57Å; I178-V181 WeakPolarHBondContact O-CG2 3.18Å; I178-V181 PolarHBondContact O-N 2.75Å; I178-A182 HydrophobicContact CG2-CB 4.43Å; I178-A182 WeakPolarHBondContact O-CB 3.46Å; I178-A182 PolarHBondContact O-N 3.27Å; I178-L186 HydrophobicContact CG2-CD2 4.19Å; I178-F190 HydrophobicContact CG2-CE2 4.41Å; I178-F190 HydrophobicContact CG2-CZ 3.91Å |
| 179 | K | 96.9 | Very high | 96.9 | Very high | 68 Ų | 68 | 52 Ų | 52 | 30% | 0.296 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -51.5 | -41.4 | -174.4 | -77.1 | 178.9 | -179.4 | 178.1 | 0 | 114.3 | L174 V181 A182 L187 F190 | L174-K179 WeakPolarHBondContact O-CB 3.49Å; L174-K179 VanDerWaalsContact O-CG 3.3Å; L174-K179 WeakPolarHBondContact O-CG 3.24Å; L174-K179 PolarHBondContact O-N 3.02Å; K179-V181 PolarHBondContact O-N 3.25Å; K179-A182 PolarHBondContact O-N 2.99Å; K179-L187 HydrophobicContact CB-CD2 4.2Å; K179-L187 HydrophobicContact CG-CD2 4.13Å; K179-F190 HydrophobicContact CG-CD1 4.44Å; K179-F190 HydrophobicContact CG-CE1 4.12Å; K179-F190 HydrophobicContact CG-CE2 4.31Å; K179-F190 HydrophobicContact CG-CZ 4.05Å |
| 180 | P | 97.8 | Very high | 96.9 | Very high | 93 Ų | 93 | 53.7 Ų | 53.7 | 60% | 0.604 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -68.7 | -18.8 | -177.9 | -22.1 | 36.1 | 0 | 0 | 0 | 114.5 | R175 I178 | R175-P180 VanDerWaalsContact O-CD 3.25Å; R175-P180 WeakPolarHBondContact O-CD 3.28Å; R175-P180 WeakPolarHBondContact O-CG 3.27Å; I178-P180 VanDerWaalsContact C-N 3.34Å |
| 181 | V | 97.9 | Very high | 96.9 | Very high | 39 Ų | 39 | 54.8 Ų | 54.8 | 24% | 0.236 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -119.9 | 7.9 | -176.3 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | I96 E97 R98 A99 E177 I178 K179 | I96-V181 HydrophobicContact CG2-CG2 4.07Å; E97-V181 WeakPolarHBondContact O-CB 3.47Å; E97-V181 WeakPolarHBondContact O-CG1 3.07Å; R98-V181 WeakPolarHBondContact CA-O 3.38Å; A99-V181 HydrophobicContact CB-CG2 4.31Å; A99-V181 PolarHBondContact N-O 3.33Å; E177-V181 WeakPolarHBondContact O-CG2 3.31Å; I178-V181 CarbonylContact O-C 3.57Å; I178-V181 WeakPolarHBondContact O-CG2 3.18Å; I178-V181 PolarHBondContact O-N 2.75Å; K179-V181 PolarHBondContact O-N 3.25Å |
| 182 | A | 97.5 | Very high | 96.8 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 13% | 0.132 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -82.1 | 144.9 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | A99 I178 K179 L186 L187 | A99-A182 HydrophobicContact CB-CB 4.26Å; A99-A182 CarbonylContact O-C 3.48Å; A99-A182 VanDerWaalsContact O-CA 3.22Å; A99-A182 WeakPolarHBondContact O-CA 3.42Å; I178-A182 HydrophobicContact CG2-CB 4.43Å; I178-A182 WeakPolarHBondContact O-CB 3.46Å; I178-A182 PolarHBondContact O-N 3.27Å; K179-A182 PolarHBondContact O-N 2.99Å; A182-L186 HydrophobicContact CB-CB 4.4Å; A182-L186 HydrophobicContact CB-CD2 3.97Å; A182-L186 HydrophobicContact CB-CG 4.32Å; A182-L187 HydrophobicContact CB-CD2 3.86Å; A182-L187 HydrophobicContact CB-CG 3.79Å |
| 183 | T | 96.9 | Very high | 96.6 | Very high | 51 Ų | 51 | 59 Ų | 59 | 31% | 0.313 | 31% | 0.308 | S | S | . | . | trans | -66.4 | 155.3 | 169 | 63.4 | 0 | 0 | 0 | 0 | 111 | A99 D100 Q185 L186 L187 | A99-T183 PolarHBondContact O-N 3.06Å; D100-T183 HydrophobicContact CB-CG2 3.81Å; D100-T183 VanDerWaalsContact CG-CG2 3.45Å; D100-T183 WeakPolarHBondContact OD1-CG2 3.5Å; D100-T183 PolarHBondContact OD1-OG1 2.81Å; T183-Q185 PolarHBondContact O-N 2.85Å; T183-Q185 VanDerWaalsContact O-N 3.12Å; T183-L186 PolarHBondContact O-N 3.44Å; T183-L186 PolarHBondContact OG1-N 3.31Å; T183-L187 WeakPolarHBondContact O-CG 3.25Å; T183-L187 PolarHBondContact O-N 2.73Å | ||
| 184 | D | 96.1 | Very high | 96.4 | Very high | 138 Ų | 138 | 60.6 Ų | 60.6 | 74% | 0.738 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -54.7 | -33.1 | 173.8 | -66.9 | -28.8 | 0 | 0 | 0 | 112 | L187 S188 | D184-L187 PolarHBondContact O-N 3.26Å; D184-S188 WeakPolarHBondContact O-CB 3.13Å; D184-S188 PolarHBondContact O-N 2.96Å |
| 185 | Q | 93.6 | Very high | 96.2 | Very high | 88 Ų | 88 | 67.6 Ų | 67.6 | 41% | 0.411 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 178.1 | 179.1 | 165.3 | -3 | 0 | 0 | 113.3 | V101 T183 S188 T189 K202 | V101-Q185 HydrophobicContact CG1-CG 4.18Å; V101-Q185 VanDerWaalsContact CG2-CD 3.47Å; V101-Q185 HydrophobicContact CG2-CG 3.68Å; V101-Q185 VanDerWaalsContact CG2-NE2 3.3Å; T183-Q185 PolarHBondContact O-N 2.85Å; T183-Q185 VanDerWaalsContact O-N 3.12Å; Q185-S188 PolarHBondContact O-OG 2.88Å; Q185-T189 WeakPolarHBondContact O-CG2 3.24Å; Q185-K202 HydrophobicContact CG-CD 3.75Å |
| 186 | L | 95.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -78.5 | -43.4 | 174.5 | 177.8 | 59.7 | 0 | 0 | 0 | 110.4 | A99 V101 I178 A182 T183 S188 T189 F190 F199 | A99-L186 HydrophobicContact CB-CD2 3.86Å; V101-L186 HydrophobicContact CG1-CB 4.01Å; V101-L186 HydrophobicContact CG1-CD1 3.92Å; I178-L186 HydrophobicContact CG2-CD2 4.19Å; A182-L186 HydrophobicContact CB-CB 4.4Å; A182-L186 HydrophobicContact CB-CD2 3.97Å; A182-L186 HydrophobicContact CB-CG 4.32Å; T183-L186 PolarHBondContact O-N 3.44Å; T183-L186 PolarHBondContact OG1-N 3.31Å; L186-S188 VanDerWaalsContact C-N 3.27Å; L186-S188 PolarHBondContact O-N 3.13Å; L186-T189 PolarHBondContact O-N 2.79Å; L186-T189 PolarHBondContact O-OG1 2.91Å; L186-F190 HydrophobicContact CD1-CE2 4.42Å; L186-F190 HydrophobicContact CG-CE2 4.06Å; L186-F190 WeakPolarHBondContact O-CD2 3.36Å; L186-F199 HydrophobicContact CD1-CD2 4.12Å; L186-F199 HydrophobicContact CD1-CE2 4.5Å |
| 187 | L | 96.8 | Very high | 96.2 | Very high | 63 Ų | 63 | 59 Ų | 59 | 33% | 0.33 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56 | -40 | 178.5 | -74.6 | 174 | 0 | 0 | 0 | 112.5 | K179 A182 T183 D184 T189 F190 | K179-L187 HydrophobicContact CB-CD2 4.2Å; K179-L187 HydrophobicContact CG-CD2 4.13Å; A182-L187 HydrophobicContact CB-CD2 3.86Å; A182-L187 HydrophobicContact CB-CG 3.79Å; T183-L187 WeakPolarHBondContact O-CG 3.25Å; T183-L187 PolarHBondContact O-N 2.73Å; D184-L187 PolarHBondContact O-N 3.26Å; L187-T189 PolarHBondContact O-N 2.84Å; L187-F190 PolarHBondContact O-N 3.06Å; L187-F190 VanDerWaalsContact O-N 3.16Å |
| 188 | S | 96 | Very high | 96.2 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 51% | 0.51 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -9.5 | 178.2 | 79.9 | 0 | 0 | 0 | 0 | 114.3 | D184 Q185 L186 | D184-S188 WeakPolarHBondContact O-CB 3.13Å; D184-S188 PolarHBondContact O-N 2.96Å; Q185-S188 PolarHBondContact O-OG 2.88Å; L186-S188 VanDerWaalsContact C-N 3.27Å; L186-S188 PolarHBondContact O-N 3.13Å |
| 189 | T | 95.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -2.3 | -179 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | Q185 L186 L187 F199 Y200 G201 K202 | Q185-T189 WeakPolarHBondContact O-CG2 3.24Å; L186-T189 PolarHBondContact O-N 2.79Å; L186-T189 PolarHBondContact O-OG1 2.91Å; L187-T189 PolarHBondContact O-N 2.84Å; T189-F199 WeakPolarHBondContact O-CA 3.16Å; T189-Y200 HydrophobicContact CG2-CD2 4.4Å; T189-Y200 HydrophobicContact CG2-CE1 4.44Å; T189-Y200 HydrophobicContact CG2-CE2 3.84Å; T189-Y200 WeakPolarHBondContact O-CD1 3.14Å; T189-Y200 VanDerWaalsContact O-CE1 3.28Å; T189-Y200 WeakPolarHBondContact O-CE1 3.29Å; T189-Y200 PolarHBondContact O-N 2.99Å; T189-G201 WeakPolarHBondContact CG2-O 3.4Å; T189-G201 PolarHBondContact OG1-N 2.97Å; T189-K202 HydrophobicContact CG2-CG 4.07Å |
| 190 | F | 97.2 | Very high | 96 | Very high | 36 Ų | 36 | 55.4 Ų | 55.4 | 16% | 0.158 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 140.3 | 176.4 | -85.3 | -93.7 | 0 | 0 | 0 | 111.3 | L174 I178 K179 L186 L187 T197 C198 F199 | L174-F190 HydrophobicContact CB-CE1 4.19Å; L174-F190 HydrophobicContact CD1-CE1 4.13Å; I178-F190 HydrophobicContact CG2-CE2 4.41Å; I178-F190 HydrophobicContact CG2-CZ 3.91Å; K179-F190 HydrophobicContact CG-CD1 4.44Å; K179-F190 HydrophobicContact CG-CE1 4.12Å; K179-F190 HydrophobicContact CG-CE2 4.31Å; K179-F190 HydrophobicContact CG-CZ 4.05Å; L186-F190 HydrophobicContact CD1-CE2 4.42Å; L186-F190 HydrophobicContact CG-CE2 4.06Å; L186-F190 WeakPolarHBondContact O-CD2 3.36Å; L187-F190 PolarHBondContact O-N 3.06Å; L187-F190 VanDerWaalsContact O-N 3.16Å; F190-T197 HydrophobicContact CD1-CG2 3.64Å; F190-T197 HydrophobicContact CE1-CG2 3.81Å; F190-C198 VanDerWaalsContact CA-O 3.3Å; F190-C198 WeakPolarHBondContact CA-O 3.45Å; F190-C198 WeakPolarHBondContact CD1-O 2.94Å; F190-F199 HydrophobicContact CD1-CB 4.1Å; F190-F199 HydrophobicContact CD2-CB 4.19Å; F190-F199 HydrophobicContact CE1-CB 4.17Å; F190-F199 HydrophobicContact CE1-CD1 4.23Å; F190-F199 HydrophobicContact CE2-CB 4.27Å; F190-F199 HydrophobicContact CG-CB 4.13Å; F190-F199 HydrophobicContact CZ-CB 4.26Å; F190-F199 HydrophobicContact CZ-CD1 4.23Å; F190-F199 HydrophobicContact CZ-CG 4.45Å |
| 191 | L | 96.8 | Very high | 95.8 | Very high | 33 Ų | 33 | 51 Ų | 51 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 164 | 175.7 | 62.8 | 95 | 0 | 0 | 0 | 110 | Q193 C198 Y200 E208 P211 | L191-Q193 HydrophobicContact CD1-CG 3.47Å; L191-Q193 VanDerWaalsContact CD1-CG 3.47Å; L191-C198 HydrophobicContact CD1-CB 3.97Å; L191-C198 HydrophobicContact CG-CB 4.25Å; L191-C198 PolarHBondContact N-O 2.87Å; L191-C198 PolarHBondContact O-N 3.03Å; L191-C198 VanDerWaalsContact O-O 3.11Å; L191-Y200 HydrophobicContact CD2-CD1 3.77Å; L191-Y200 HydrophobicContact CD2-CE1 4.23Å; L191-E208 HydrophobicContact CD2-CG 3.67Å; L191-P211 HydrophobicContact CD1-CG 4.27Å; L191-P211 HydrophobicContact CD2-CB 4.34Å |
| 192 | M | 95.9 | Very high | 95.4 | Very high | 111 Ų | 111 | 53.8 Ų | 53.8 | 55% | 0.547 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 130.3 | 174.4 | -66.6 | -62.2 | -62.1 | 0 | 0 | 109.4 | N196 | M192-N196 WeakPolarHBondContact CA-O 3.3Å |
| 193 | Q | 94.3 | Very high | 95.1 | Very high | 90 Ų | 90 | 54.6 Ų | 54.6 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 104.4 | 166 | -66.9 | -167.8 | -10.3 | 0 | 0 | 108.9 | L191 N195 N196 P211 | L191-Q193 HydrophobicContact CD1-CG 3.47Å; L191-Q193 VanDerWaalsContact CD1-CG 3.47Å; Q193-N195 PolarHBondContact O-N 3.39Å; Q193-N196 PolarHBondContact N-O 2.86Å; Q193-N196 WeakPolarHBondContact O-CB 3.13Å; Q193-N196 PolarHBondContact O-N 3.17Å; Q193-P211 VanDerWaalsContact NE2-CG 3.3Å |
| 194 | G | 92.8 | Very high | 94.6 | Very high | 69 Ų | 69 | 60.8 Ų | 60.8 | 71% | 0.711 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | -121.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 195 | N | 93.5 | Very high | 94.1 | Very high | 148 Ų | 148 | 60 Ų | 60 | 79% | 0.791 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 0.4 | 177.9 | -67.3 | -14 | 0 | 0 | 0 | 113.6 | Q193 | Q193-N195 PolarHBondContact O-N 3.39Š|
| 196 | N | 96.9 | Very high | 94 | Very high | 53 Ų | 53 | 57.1 Ų | 57.1 | 28% | 0.283 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 132.8 | -174 | -66.3 | -21 | 0 | 0 | 0 | 111.4 | M192 Q193 C213 A214 G216 | M192-N196 WeakPolarHBondContact CA-O 3.3Å; Q193-N196 PolarHBondContact N-O 2.86Å; Q193-N196 WeakPolarHBondContact O-CB 3.13Å; Q193-N196 PolarHBondContact O-N 3.17Å; N196-C213 HydrophobicContact CB-CB 4.38Å; N196-A214 VanDerWaalsContact CB-O 3.26Å; N196-A214 WeakPolarHBondContact CB-O 3.16Å; N196-A214 PolarHBondContact ND2-O 3.35Å; N196-A214 PolarHBondContact OD1-O 3.19Å; N196-G216 WeakPolarHBondContact CA-O 3.31Å; N196-G216 PolarHBondContact OD1-N 3.28Å |
| 197 | T | 97.1 | Very high | 93.9 | Very high | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 125.8 | 168.5 | -61.9 | 0 | 0 | 0 | 0 | 109.2 | L174 F190 A214 G216 | L174-T197 HydrophobicContact CB-CG2 4.08Å; L174-T197 HydrophobicContact CD1-CG2 3.84Å; F190-T197 HydrophobicContact CD1-CG2 3.64Å; F190-T197 HydrophobicContact CE1-CG2 3.81Å; T197-A214 WeakPolarHBondContact O-CB 3.36Å; T197-A214 PolarHBondContact O-N 3.46Å; T197-G216 PolarHBondContact N-O 3.2Å |
| 198 | C | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 160.2 | -178.6 | -45 | 0 | 0 | 0 | 0 | 111.3 | F190 L191 P211 A212 C213 | F190-C198 VanDerWaalsContact CA-O 3.3Å; F190-C198 WeakPolarHBondContact CA-O 3.45Å; F190-C198 WeakPolarHBondContact CD1-O 2.94Å; L191-C198 HydrophobicContact CD1-CB 3.97Å; L191-C198 HydrophobicContact CG-CB 4.25Å; L191-C198 PolarHBondContact N-O 2.87Å; L191-C198 PolarHBondContact O-N 3.03Å; L191-C198 VanDerWaalsContact O-O 3.11Å; C198-P211 HydrophobicContact CB-CB 3.93Å; C198-P211 HydrophobicContact CB-CG 4.17Å; C198-A212 CarbonylContact C-O 3.47Å; C198-A212 WeakPolarHBondContact CA-O 3.46Å; C198-A212 WeakPolarHBondContact CB-O 3Å; C198-C213 HydrophobicContact CB-CB 3.98Å; C198-C213 WeakPolarHBondContact CB-SG 3.04Å; C198-C213 VanDerWaalsContact SG-CA 3.54Å; C198-C213 WeakPolarHBondContact SG-CB 2.94Å; C198-C213 CovalentContact SG-SG 2.04Å; C198-C213 PolarHBondContact SG-SG 3.5Å |
| 199 | F | 96.9 | Very high | 93.6 | Very high | 5 Ų | 5 | 69.4 Ų | 69.4 | 2% | 0.022 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 147.3 | 165.5 | 70.9 | -86.6 | 0 | 0 | 0 | 110.8 | L108 F122 P124 L174 L186 T189 F190 A212 M219 | L108-F199 HydrophobicContact CD1-CD2 4.09Å; L108-F199 HydrophobicContact CD1-CE2 3.73Å; L108-F199 HydrophobicContact CD2-CD2 4.49Å; L108-F199 HydrophobicContact CD2-CE2 4.2Å; L108-F199 HydrophobicContact CG-CE2 4.18Å; F122-F199 HydrophobicContact CE1-CZ 4.44Å; P124-F199 HydrophobicContact CB-CZ 4.36Å; P124-F199 HydrophobicContact CG-CZ 4.16Å; L174-F199 HydrophobicContact CD1-CD1 4.42Å; L174-F199 HydrophobicContact CD2-CE1 4.29Å; L186-F199 HydrophobicContact CD1-CD2 4.12Å; L186-F199 HydrophobicContact CD1-CE2 4.5Å; T189-F199 WeakPolarHBondContact O-CA 3.16Å; F190-F199 HydrophobicContact CD1-CB 4.1Å; F190-F199 HydrophobicContact CD2-CB 4.19Å; F190-F199 HydrophobicContact CE1-CB 4.17Å; F190-F199 HydrophobicContact CE1-CD1 4.23Å; F190-F199 HydrophobicContact CE2-CB 4.27Å; F190-F199 HydrophobicContact CG-CB 4.13Å; F190-F199 HydrophobicContact CZ-CB 4.26Å; F190-F199 HydrophobicContact CZ-CD1 4.23Å; F190-F199 HydrophobicContact CZ-CG 4.45Å; F199-A212 PolarHBondContact N-O 2.98Å; F199-A212 PolarHBondContact O-N 2.75Å; F199-M219 HydrophobicContact CD1-CE 4.16Å; F199-M219 HydrophobicContact CD1-SD 4.34Å; F199-M219 HydrophobicContact CE1-CE 3.84Å; F199-M219 HydrophobicContact CE1-SD 3.48Å; F199-M219 WeakPolarHBondContact CE1-SD 3.4Å; F199-M219 HydrophobicContact CZ-SD 4.21Å |
| 200 | Y | 94.5 | Very high | 93.5 | Very high | 50 Ų | 50 | 73 Ų | 73 | 20% | 0.196 | 36% | 0.361 | C | S | . | . | trans | -106 | -9.9 | 176.3 | 64.3 | -91.9 | 0 | 0 | 0 | 113.4 | L108 T189 L191 C206 R207 E208 | L108-Y200 VanDerWaalsContact CD1-O 3.27Å; L108-Y200 WeakPolarHBondContact CD1-O 3.47Å; T189-Y200 HydrophobicContact CG2-CD2 4.4Å; T189-Y200 HydrophobicContact CG2-CE1 4.44Å; T189-Y200 HydrophobicContact CG2-CE2 3.84Å; T189-Y200 WeakPolarHBondContact O-CD1 3.14Å; T189-Y200 VanDerWaalsContact O-CE1 3.28Å; T189-Y200 WeakPolarHBondContact O-CE1 3.29Å; T189-Y200 PolarHBondContact O-N 2.99Å; L191-Y200 HydrophobicContact CD2-CD1 3.77Å; L191-Y200 HydrophobicContact CD2-CE1 4.23Å; Y200-C206 VanDerWaalsContact O-CB 3.24Å; Y200-C206 WeakPolarHBondContact O-CB 3.44Å; Y200-C206 PolarHBondContact O-SG 3.13Å; Y200-R207 VanDerWaalsContact CB-O 3.24Å; Y200-R207 WeakPolarHBondContact CB-O 3.21Å; Y200-E208 HydrophobicContact CD1-CB 4.19Å; Y200-E208 HydrophobicContact CD1-CG 4.23Å; Y200-E208 HydrophobicContact CE1-CB 4.14Å; Y200-E208 HydrophobicContact CE1-CG 4.07Å | ||
| 201 | G | 92.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 72 Ų | 72 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | trans | 60.2 | -160.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | T189 | T189-G201 WeakPolarHBondContact CG2-O 3.4Å; T189-G201 PolarHBondContact OG1-N 2.97Å | ||
| 202 | K | 90.3 | Very high | 93.4 | Very high | 97 Ų | 97 | 70.5 Ų | 70.5 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -133.5 | 112.6 | 176.2 | -65.9 | -170.4 | -174.6 | -178.3 | 0 | 110.4 | V101 Q185 T189 | V101-K202 HydrophobicContact CB-CB 4.4Å; V101-K202 HydrophobicContact CG1-CB 4.26Å; V101-K202 HydrophobicContact CG1-CG 4.35Å; V101-K202 HydrophobicContact CG2-CB 4.41Å; Q185-K202 HydrophobicContact CG-CD 3.75Å; T189-K202 HydrophobicContact CG2-CG 4.07Å |
| 203 | C | 90.1 | Very high | 93.4 | Very high | 33 Ų | 33 | 67.3 Ų | 67.3 | 22% | 0.223 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -158.4 | 173.3 | 178.3 | 75.7 | 0 | 0 | 0 | 0 | 110 | T106 Y205 C206 | T106-C203 PolarHBondContact O-SG 2.95Å; C203-Y205 VanDerWaalsContact C-N 3.33Å; C203-Y205 PolarHBondContact O-N 2.89Å; C203-C206 HydrophobicContact CB-CB 4.04Å; C203-C206 WeakPolarHBondContact CB-SG 3.33Å; C203-C206 PolarHBondContact N-SG 2.92Å; C203-C206 VanDerWaalsContact N-SG 3.42Å; C203-C206 PolarHBondContact O-N 3.32Å; C203-C206 VanDerWaalsContact SG-CA 3.59Å; C203-C206 WeakPolarHBondContact SG-CB 3.16Å; C203-C206 PolarHBondContact SG-N 3.06Å; C203-C206 CovalentContact SG-SG 2.03Å; C203-C206 PolarHBondContact SG-SG 2.76Å |
| 204 | Y | 86.9 | Confident | 93.6 | Very high | 181 Ų | 181 | 63.2 Ų | 63.2 | 71% | 0.71 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -37.2 | -175.3 | -174.7 | -99.7 | 0 | 0 | 0 | 113.9 | G105 | G105-Y204 PolarHBondContact O-N 3.33Å; G105-Y204 VanDerWaalsContact O-N 3.08Å |
| 205 | Y | 86.5 | Confident | 93.7 | Very high | 121 Ų | 121 | 66.5 Ų | 66.5 | 48% | 0.475 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 6.3 | 177.4 | -59.7 | -57.4 | 0 | 0 | 0 | 114 | T106 C203 R207 | T106-Y205 HydrophobicContact CG2-CD2 4.39Å; T106-Y205 HydrophobicContact CG2-CE2 3.93Å; T106-Y205 WeakPolarHBondContact O-CB 3.47Å; T106-Y205 VanDerWaalsContact O-CD2 3.23Å; T106-Y205 WeakPolarHBondContact O-CD2 3.44Å; T106-Y205 PolarHBondContact O-N 2.86Å; C203-Y205 VanDerWaalsContact C-N 3.33Å; C203-Y205 PolarHBondContact O-N 2.89Å; Y205-R207 PolarHBondContact O-N 3.05Å |
| 206 | C | 91.3 | Very high | 93.8 | Very high | 28 Ų | 28 | 60.5 Ų | 60.5 | 19% | 0.189 | 30% | 0.295 | C | S | . | . | trans | -76.1 | 125.8 | -177.1 | -73.6 | 0 | 0 | 0 | 0 | 110.6 | Y200 C203 | Y200-C206 VanDerWaalsContact O-CB 3.24Å; Y200-C206 WeakPolarHBondContact O-CB 3.44Å; Y200-C206 PolarHBondContact O-SG 3.13Å; C203-C206 HydrophobicContact CB-CB 4.04Å; C203-C206 WeakPolarHBondContact CB-SG 3.33Å; C203-C206 PolarHBondContact N-SG 2.92Å; C203-C206 VanDerWaalsContact N-SG 3.42Å; C203-C206 PolarHBondContact O-N 3.32Å; C203-C206 VanDerWaalsContact SG-CA 3.59Å; C203-C206 WeakPolarHBondContact SG-CB 3.16Å; C203-C206 PolarHBondContact SG-N 3.06Å; C203-C206 CovalentContact SG-SG 2.03Å; C203-C206 PolarHBondContact SG-SG 2.76Å | ||
| 207 | R | 92.2 | Very high | 93.8 | Very high | 153 Ų | 153 | 61 Ų | 61 | 58% | 0.577 | 30% | 0.296 | S | S | * | . | trans | -137.2 | 148.7 | -179.4 | -59.3 | 179.2 | -175.1 | -153 | 1.2 | 110.1 | Y200 Y205 T209 E210 | Y200-R207 VanDerWaalsContact CB-O 3.24Å; Y200-R207 WeakPolarHBondContact CB-O 3.21Å; Y205-R207 PolarHBondContact O-N 3.05Å; R207-T209 PolarHBondContact O-N 2.91Å; R207-E210 CarbonylContact O-C 3.59Å; R207-E210 PolarHBondContact O-N 3.29Å | ||
| 208 | E | 92.6 | Very high | 93.9 | Very high | 131 Ų | 131 | 63.7 Ų | 63.7 | 61% | 0.612 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -26.6 | 175.5 | -168 | 178.2 | 171.3 | 0 | 0 | 112.8 | L191 Y200 E210 P211 | L191-E208 HydrophobicContact CD2-CG 3.67Å; Y200-E208 HydrophobicContact CD1-CB 4.19Å; Y200-E208 HydrophobicContact CD1-CG 4.23Å; Y200-E208 HydrophobicContact CE1-CB 4.14Å; Y200-E208 HydrophobicContact CE1-CG 4.07Å; E208-E210 VanDerWaalsContact C-N 3.29Å; E208-E210 PolarHBondContact O-N 2.97Å; E208-P211 WeakPolarHBondContact O-CD 3.06Å |
| 209 | T | 93.6 | Very high | 93.9 | Very high | 113 Ų | 113 | 63.8 Ų | 63.8 | 69% | 0.693 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16.4 | 176.1 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | R207 | R207-T209 PolarHBondContact O-N 2.91Š|
| 210 | E | 93.1 | Very high | 94 | Very high | 74 Ų | 74 | 64.6 Ų | 64.6 | 35% | 0.346 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -127.7 | 51.6 | -173.5 | -63.7 | 176.9 | 129.6 | 0 | 0 | 112.3 | R126 Y141 R207 E208 | R126-E210 PolarHBondContact NH2-O 3.34Å; Y141-E210 WeakPolarHBondContact OH-CG 3.02Å; Y141-E210 PolarHBondContact OH-OE1 2.86Å; R207-E210 CarbonylContact O-C 3.59Å; R207-E210 PolarHBondContact O-N 3.29Å; E208-E210 VanDerWaalsContact C-N 3.29Å; E208-E210 PolarHBondContact O-N 2.97Å |
| 211 | P | 95.3 | Very high | 94.1 | Very high | 17 Ų | 17 | 62.2 Ų | 62.2 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | trans | -74 | 165.2 | -177.2 | 34.9 | -35.8 | 0 | 0 | 0 | 112 | L191 Q193 C198 E208 | L191-P211 HydrophobicContact CD1-CG 4.27Å; L191-P211 HydrophobicContact CD2-CB 4.34Å; Q193-P211 VanDerWaalsContact NE2-CG 3.3Å; C198-P211 HydrophobicContact CB-CB 3.93Å; C198-P211 HydrophobicContact CB-CG 4.17Å; E208-P211 WeakPolarHBondContact O-CD 3.06Å | ||
| 212 | A | 96.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 129.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | L108 P124 C198 F199 M219 | L108-A212 HydrophobicContact CD2-CB 3.65Å; P124-A212 HydrophobicContact CB-CB 3.81Å; P124-A212 HydrophobicContact CG-CB 3.61Å; C198-A212 CarbonylContact C-O 3.47Å; C198-A212 WeakPolarHBondContact CA-O 3.46Å; C198-A212 WeakPolarHBondContact CB-O 3Å; F199-A212 PolarHBondContact N-O 2.98Å; F199-A212 PolarHBondContact O-N 2.75Å; A212-M219 HydrophobicContact CB-CE 3.97Å; A212-M219 WeakPolarHBondContact O-CE 3.49Å |
| 213 | C | 96.8 | Very high | 94.7 | Very high | 44 Ų | 44 | 57.6 Ų | 57.6 | 30% | 0.297 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 138.8 | -177.1 | -69.4 | 0 | 0 | 0 | 0 | 111.6 | N196 C198 M219 | N196-C213 HydrophobicContact CB-CB 4.38Å; C198-C213 HydrophobicContact CB-CB 3.98Å; C198-C213 WeakPolarHBondContact CB-SG 3.04Å; C198-C213 VanDerWaalsContact SG-CA 3.54Å; C198-C213 WeakPolarHBondContact SG-CB 2.94Å; C198-C213 CovalentContact SG-SG 2.04Å; C198-C213 PolarHBondContact SG-SG 3.5Å; C213-M219 VanDerWaalsContact C-CE 3.45Å |
| 214 | A | 97.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.033 | 28% | 0.281 | C | S | . | . | trans | -73.5 | 164.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L174 N196 T197 T218 M219 | L174-A214 HydrophobicContact CD1-CB 3.78Å; L174-A214 HydrophobicContact CG-CB 4.4Å; N196-A214 VanDerWaalsContact CB-O 3.26Å; N196-A214 WeakPolarHBondContact CB-O 3.16Å; N196-A214 PolarHBondContact ND2-O 3.35Å; N196-A214 PolarHBondContact OD1-O 3.19Å; T197-A214 WeakPolarHBondContact O-CB 3.36Å; T197-A214 PolarHBondContact O-N 3.46Å; A214-T218 WeakPolarHBondContact CB-O 3.3Å; A214-M219 HydrophobicContact CB-CB 4.01Å; A214-M219 HydrophobicContact CB-CE 4.43Å | ||
| 215 | D | 96.5 | Very high | 95.5 | Very high | 138 Ų | 138 | 49 Ų | 49 | 74% | 0.738 | 25% | 0.252 | S | S | * | . | B | Isolated β-bridge | trans | -86.4 | 103.5 | 159.5 | -171.7 | 9 | 0 | 0 | 0 | 108 | E217 T218 | D215-E217 PolarHBondContact O-N 3.48Å; D215-T218 PolarHBondContact N-O 2.04Å; D215-T218 PolarHBondContact O-N 3.4Å |
| 216 | G | 96 | Very high | 95.9 | Very high | 22 Ų | 22 | 48.7 Ų | 48.7 | 23% | 0.227 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | -100.3 | -163.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N196 T197 | N196-G216 WeakPolarHBondContact CA-O 3.31Å; N196-G216 PolarHBondContact OD1-N 3.28Å; T197-G216 PolarHBondContact N-O 3.2Å |
| 217 | E | 96.5 | Very high | 96 | Very high | 63 Ų | 63 | 48.3 Ų | 48.3 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -10.1 | 178.3 | -62 | -177.9 | 167.3 | 0 | 0 | 113 | N173 L174 R175 D215 | N173-E217 WeakPolarHBondContact CA-O 3.09Å; L174-E217 PolarHBondContact N-O 3.28Å; R175-E217 HydrophobicContact CB-CG 4.42Å; R175-E217 VanDerWaalsContact CD-CD 3.44Å; R175-E217 WeakPolarHBondContact CD-OE1 3.12Å; R175-E217 WeakPolarHBondContact CD-OE2 3.49Å; R175-E217 IonicContact CZ-OE1 2.81Å; R175-E217 IonicContact NE-OE1 3.96Å; R175-E217 IonicContact NH1-OE1 3.82Å; R175-E217 PolarHBondContact NH1-OE1 3.1Å; D215-E217 PolarHBondContact O-N 3.48Å |
| 218 | T | 97.9 | Very high | 96.1 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 117.7 | -175.1 | -55.9 | 0 | 0 | 0 | 0 | 110.6 | Y171 A214 D215 | Y171-T218 HydrophobicContact CD1-CG2 4.12Å; Y171-T218 HydrophobicContact CG-CG2 4.45Å; A214-T218 WeakPolarHBondContact CB-O 3.3Å; D215-T218 PolarHBondContact N-O 2.04Å; D215-T218 PolarHBondContact O-N 3.4Å |
| 219 | M | 97.9 | Very high | 96 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 124.8 | 178.7 | -176.2 | 169.5 | -83.6 | 0 | 0 | 110.9 | F122 P124 Y171 V172 L174 F199 A212 C213 A214 | F122-M219 HydrophobicContact CE1-CG 4.47Å; F122-M219 HydrophobicContact CE1-SD 3.93Å; F122-M219 HydrophobicContact CZ-CG 4.13Å; F122-M219 HydrophobicContact CZ-SD 4.19Å; P124-M219 HydrophobicContact CB-CE 4.37Å; P124-M219 HydrophobicContact CB-CG 4.28Å; P124-M219 HydrophobicContact CB-SD 3.43Å; P124-M219 WeakPolarHBondContact CB-SD 3.38Å; Y171-M219 WeakPolarHBondContact CA-O 3.29Å; V172-M219 PolarHBondContact N-O 3.01Å; V172-M219 PolarHBondContact O-N 2.95Å; L174-M219 HydrophobicContact CD1-CB 4.16Å; L174-M219 HydrophobicContact CD1-CE 3.84Å; L174-M219 HydrophobicContact CD1-SD 4.3Å; L174-M219 HydrophobicContact CD2-CB 3.96Å; L174-M219 HydrophobicContact CD2-SD 4.13Å; L174-M219 HydrophobicContact CG-CB 3.96Å; F199-M219 HydrophobicContact CD1-CE 4.16Å; F199-M219 HydrophobicContact CD1-SD 4.34Å; F199-M219 HydrophobicContact CE1-CE 3.84Å; F199-M219 HydrophobicContact CE1-SD 3.48Å; F199-M219 WeakPolarHBondContact CE1-SD 3.4Å; F199-M219 HydrophobicContact CZ-SD 4.21Å; A212-M219 HydrophobicContact CB-CE 3.97Å; A212-M219 WeakPolarHBondContact O-CE 3.49Å; C213-M219 VanDerWaalsContact C-CE 3.45Å; A214-M219 HydrophobicContact CB-CB 4.01Å; A214-M219 HydrophobicContact CB-CE 4.43Å |
| 220 | E | 98.3 | Very high | 95.8 | Very high | 23 Ų | 23 | 42 Ų | 42 | 11% | 0.107 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 140.3 | 168.1 | -166.8 | -171 | 129 | 0 | 0 | 110.3 | K125 R129 H144 Y171 I365 | K125-E220 HydrophobicContact CB-CB 4.17Å; K125-E220 VanDerWaalsContact CB-O 3.25Å; K125-E220 WeakPolarHBondContact CB-O 3.18Å; K125-E220 HydrophobicContact CD-CB 4.17Å; K125-E220 PolarHBondContact N-O 2.92Å; K125-E220 IonicContact NZ-OE2 3.75Å; R129-E220 IonicContact CZ-OE1 3.39Å; R129-E220 IonicContact NH1-OE1 3.65Å; R129-E220 PolarHBondContact NH1-OE1 2.94Å; R129-E220 IonicContact NH2-OE1 2.72Å; R129-E220 PolarHBondContact NH2-OE1 3.01Å; H144-E220 IonicContact CD2-OE1 3.21Å; H144-E220 IonicContact CE1-OE1 2.68Å; H144-E220 PolarHBondContact CE1-OE1 3.38Å; H144-E220 IonicContact NE2-OE1 3.54Å; H144-E220 PolarHBondContact NE2-OE1 3.25Å; Y171-E220 HydrophobicContact CD1-CB 3.88Å; Y171-E220 HydrophobicContact CD1-CG 4.06Å; Y171-E220 HydrophobicContact CE1-CB 3.69Å; Y171-E220 HydrophobicContact CE1-CG 3.58Å; E220-I365 HydrophobicContact CG-CB 4.28Å; E220-I365 HydrophobicContact CG-CG2 3.8Å |
| 221 | G | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | -176.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K123 G169 R170 | K123-G221 CarbonylContact O-C 3.57Å; K123-G221 VanDerWaalsContact O-CA 3.23Å; K123-G221 WeakPolarHBondContact O-CA 3.4Å; G169-G221 WeakPolarHBondContact CA-O 3.48Å; R170-G221 PolarHBondContact N-O 3.4Å; R170-G221 PolarHBondContact O-N 3.23Å |
| 222 | S | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 139.1 | 175.5 | 60 | 0 | 0 | 0 | 0 | 109.8 | F122 K123 H144 V168 | F122-S222 WeakPolarHBondContact CA-O 3.23Å; K123-S222 PolarHBondContact N-O 3.41Å; K123-S222 PolarHBondContact O-N 2.86Å; H144-S222 WeakPolarHBondContact CB-OG 3.28Å; H144-S222 WeakPolarHBondContact O-CB 3.45Å; V168-S222 WeakPolarHBondContact O-CA 3.14Å |
| 223 | L | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.4 | 171.6 | -70.2 | 177.6 | 0 | 0 | 0 | 109.2 | L91 L112 V120 V121 F122 V167 V168 R170 | L91-L223 HydrophobicContact CD1-CB 4.5Å; L91-L223 HydrophobicContact CD2-CB 4.44Å; L91-L223 HydrophobicContact CG-CB 4.2Å; L91-L223 VanDerWaalsContact O-CD1 3.26Å; L91-L223 WeakPolarHBondContact O-CD1 3.45Å; L112-L223 HydrophobicContact CD1-CD2 3.85Å; V120-L223 HydrophobicContact CB-CD2 4.46Å; V120-L223 HydrophobicContact CG2-CD2 3.79Å; V121-L223 CarbonylContact O-C 3.31Å; V121-L223 WeakPolarHBondContact O-CA 3.25Å; F122-L223 HydrophobicContact CB-CD2 3.88Å; F122-L223 HydrophobicContact CD2-CD2 3.71Å; F122-L223 HydrophobicContact CD2-CG 4.34Å; F122-L223 HydrophobicContact CG-CD2 4.26Å; V167-L223 CarbonylContact C-O 3.59Å; V167-L223 VanDerWaalsContact CA-O 3.26Å; V167-L223 WeakPolarHBondContact CA-O 3.3Å; V168-L223 HydrophobicContact CG1-CB 4.21Å; V168-L223 PolarHBondContact N-O 2.89Å; V168-L223 PolarHBondContact O-N 2.97Å; R170-L223 HydrophobicContact CB-CD1 4.01Å; R170-L223 HydrophobicContact CB-CG 4.32Å; R170-L223 HydrophobicContact CG-CD1 4.35Å |
| 224 | T | 96.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 48.4 Ų | 48.4 | 10% | 0.104 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 124.7 | 173.2 | -54.7 | 0 | 0 | 0 | 0 | 109.4 | V120 V121 P165 L166 V167 W226 | V120-T224 CarbonylContact C-O 3.53Å; V120-T224 VanDerWaalsContact CA-O 3.24Å; V120-T224 WeakPolarHBondContact CA-O 3.26Å; V120-T224 WeakPolarHBondContact CB-O 3.41Å; V121-T224 PolarHBondContact N-O 2.87Å; V121-T224 PolarHBondContact O-N 3.39Å; P165-T224 HydrophobicContact CB-CG2 3.82Å; P165-T224 HydrophobicContact CG-CG2 3.44Å; P165-T224 VanDerWaalsContact CG-CG2 3.44Å; L166-T224 WeakPolarHBondContact O-CA 3.24Å; V167-T224 HydrophobicContact CG2-CG2 4.01Å; T224-W226 PolarHBondContact O-N 2.93Å |
| 225 | L | 96.3 | Very high | 94.8 | Very high | 18 Ų | 18 | 54.4 Ų | 54.4 | 9% | 0.094 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 130.2 | 177.3 | -173 | 67 | 0 | 0 | 0 | 110.4 | W64 A67 L91 Q118 V120 L166 | W64-L225 HydrophobicContact CE3-CD1 4.36Å; A67-L225 HydrophobicContact CB-CD2 3.82Å; L91-L225 HydrophobicContact CD1-CD1 4.25Å; Q118-L225 HydrophobicContact CG-CD1 3.47Å; Q118-L225 VanDerWaalsContact CG-CD1 3.47Å; V120-L225 HydrophobicContact CG1-CD1 4.2Å; L166-L225 HydrophobicContact CB-CB 4.12Å; L166-L225 HydrophobicContact CB-CD2 4.41Å; L166-L225 HydrophobicContact CD1-CD2 3.95Å; L166-L225 HydrophobicContact CG-CD2 4.38Å; L166-L225 PolarHBondContact O-N 3.04Å |
| 226 | W | 95 | Very high | 94.6 | Very high | 114 Ų | 114 | 49.3 Ų | 49.3 | 43% | 0.432 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 133.4 | 175.3 | -158.4 | -91.1 | 0 | 0 | 0 | 110.3 | L111 Q118 K119 V121 T224 | L111-W226 HydrophobicContact CD1-CE3 4.38Å; L111-W226 HydrophobicContact CD1-CZ3 4.39Å; Q118-W226 PolarHBondContact NE2-O 2.62Å; K119-W226 HydrophobicContact CB-CB 3.73Å; K119-W226 HydrophobicContact CB-CD2 4.48Å; K119-W226 HydrophobicContact CB-CG 4.02Å; K119-W226 WeakPolarHBondContact O-CB 3.4Å; K119-W226 PolarHBondContact O-N 3.23Å; K119-W226 VanDerWaalsContact O-N 3.09Å; V121-W226 HydrophobicContact CG2-CE3 3.62Å; V121-W226 HydrophobicContact CG2-CZ3 3.48Å; V121-W226 VanDerWaalsContact CG2-CZ3 3.48Å; T224-W226 PolarHBondContact O-N 2.93Å |
| 227 | L | 94.1 | Very high | 94.5 | Very high | 19 Ų | 19 | 57.4 Ų | 57.4 | 10% | 0.099 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -67 | 144.2 | 176.1 | -67.6 | 173.4 | 0 | 0 | 0 | 110.2 | V71 V76 P165 L233 F298 I308 | V71-L227 HydrophobicContact CG2-CD2 4.4Å; V76-L227 HydrophobicContact CG1-CD2 3.96Å; P165-L227 HydrophobicContact CB-CD2 4.42Å; L227-L233 HydrophobicContact CD1-CD1 4.34Å; L227-L233 HydrophobicContact CD1-CD2 4.1Å; L227-F298 HydrophobicContact CD1-CE1 4Å; L227-F298 HydrophobicContact CD1-CZ 4.28Å; L227-I308 HydrophobicContact CD1-CG2 4.05Å |
| 228 | P | 92.8 | Very high | 94.5 | Very high | 24 Ų | 24 | 55 Ų | 55 | 16% | 0.156 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 144.2 | -175.7 | 29.2 | -39.9 | 0 | 0 | 0 | 112.6 | S68 V71 V230 W231 | S68-P228 VanDerWaalsContact OG-CB 3.25Å; S68-P228 WeakPolarHBondContact OG-CB 3.45Å; V71-P228 HydrophobicContact CB-CG 4.2Å; V71-P228 HydrophobicContact CG2-CG 4.02Å; P228-V230 HydrophobicContact CB-CG2 4.26Å; P228-V230 HydrophobicContact CG-CG2 4.4Å; P228-V230 PolarHBondContact O-N 3.42Å; P228-W231 PolarHBondContact O-N 3.47Å |
| 229 | D | 90.9 | Very high | 94.4 | Very high | 128 Ų | 128 | 53 Ų | 53 | 68% | 0.684 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.8 | -172.8 | -67.9 | -28.7 | 0 | 0 | 0 | 113.7 | W231 | D229-W231 PolarHBondContact O-N 3.09Š|
| 230 | V | 90.8 | Very high | 94.4 | Very high | 114 Ų | 114 | 53.6 Ų | 53.6 | 69% | 0.691 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -16 | 175.1 | -57.3 | 0 | 0 | 0 | 0 | 113.1 | P228 P232 | P228-V230 HydrophobicContact CB-CG2 4.26Å; P228-V230 HydrophobicContact CG-CG2 4.4Å; P228-V230 PolarHBondContact O-N 3.42Å; V230-P232 WeakPolarHBondContact O-CD 3.5Å |
| 231 | W | 90.7 | Very high | 94.2 | Very high | 62 Ų | 62 | 53 Ų | 53 | 24% | 0.235 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -112.8 | 70.3 | 178.3 | -71.2 | 113.4 | 0 | 0 | 0 | 110.6 | V71 P73 P228 D229 F298 | V71-W231 HydrophobicContact CG1-CB 4.4Å; V71-W231 HydrophobicContact CG1-CD2 4.32Å; V71-W231 HydrophobicContact CG1-CG 3.82Å; V71-W231 PolarHBondContact O-NE1 3.37Å; P73-W231 HydrophobicContact CG-CH2 3.61Å; P73-W231 HydrophobicContact CG-CZ3 4.05Å; P228-W231 PolarHBondContact O-N 3.47Å; D229-W231 PolarHBondContact O-N 3.09Å; W231-F298 HydrophobicContact CB-CD1 3.61Å; W231-F298 HydrophobicContact CB-CE1 3.58Å; W231-F298 HydrophobicContact CB-CG 4.35Å; W231-F298 HydrophobicContact CB-CZ 4.3Å; W231-F298 HydrophobicContact CD2-CG 4.47Å; W231-F298 HydrophobicContact CE3-CB 3.99Å; W231-F298 HydrophobicContact CE3-CD1 4.3Å; W231-F298 HydrophobicContact CE3-CD2 4.09Å; W231-F298 AromaticContact CE3-CG 3.87Å; W231-F298 HydrophobicContact CE3-CG 3.87Å; W231-F298 HydrophobicContact CG-CD1 4.35Å; W231-F298 HydrophobicContact CG-CE1 4.27Å |
| 232 | P | 91.4 | Very high | 94 | Very high | 58 Ų | 58 | 55.1 Ų | 55.1 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | trans | -64.7 | 140.1 | -177.7 | 25.8 | -32.4 | 0 | 0 | 0 | 111.2 | V230 Q299 | V230-P232 WeakPolarHBondContact O-CD 3.5Å; P232-Q299 HydrophobicContact CG-CB 4.16Å; P232-Q299 HydrophobicContact CG-CG 4.45Å; P232-Q299 PolarHBondContact O-N 3.25Å | ||
| 233 | L | 91.9 | Very high | 93.6 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 31% | 0.314 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 141.6 | -176.9 | -61.2 | 167.8 | 0 | 0 | 0 | 111 | L227 E296 S297 F298 Q299 I308 L310 | L227-L233 HydrophobicContact CD1-CD1 4.34Å; L227-L233 HydrophobicContact CD1-CD2 4.1Å; L233-E296 HydrophobicContact CB-CB 4.5Å; L233-E296 VanDerWaalsContact CD1-OE2 3.3Å; L233-E296 WeakPolarHBondContact CD1-OE2 3.44Å; L233-S297 CarbonylContact C-O 3.52Å; L233-F298 HydrophobicContact CD2-CD1 3.76Å; L233-F298 HydrophobicContact CD2-CE1 3.8Å; L233-Q299 PolarHBondContact O-NE2 2.8Å; L233-Q299 VanDerWaalsContact O-NE2 3.1Å; L233-I308 HydrophobicContact CD2-CG1 4.15Å; L233-L310 HydrophobicContact CD1-CD1 3.81Å |
| 234 | Q | 91.4 | Very high | 93.1 | Very high | 90 Ų | 90 | 60.6 Ų | 60.6 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 126.6 | 170.6 | -166.5 | 179.5 | 18.3 | 0 | 0 | 109 | H236 E296 S297 Q299 | Q234-H236 VanDerWaalsContact CD-CE1 3.45Å; Q234-H236 PolarHBondContact O-CD2 3.35Å; Q234-H236 VanDerWaalsContact O-CD2 3.27Å; Q234-H236 PolarHBondContact OE1-CE1 3.43Å; Q234-H236 PolarHBondContact OE1-NE2 3.44Å; Q234-E296 CarbonylContact O-C 3.5Å; Q234-E296 VanDerWaalsContact O-CA 3.24Å; Q234-E296 WeakPolarHBondContact O-CA 3.41Å; Q234-S297 PolarHBondContact N-O 3.35Å; Q234-S297 PolarHBondContact O-N 2.87Å; Q234-Q299 HydrophobicContact CB-CG 3.75Å; Q234-Q299 HydrophobicContact CG-CG 4.48Å |
| 235 | K | 91.8 | Very high | 92.7 | Very high | 130 Ų | 130 | 67.9 Ų | 67.9 | 57% | 0.565 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 130.3 | 178.4 | -174.6 | 171.7 | -178.8 | 167.4 | 0 | 111.1 | H294 E296 | K235-H294 HydrophobicContact CD-CB 4.46Å; K235-H294 VanDerWaalsContact CE-CB 3.49Å; K235-H294 WeakPolarHBondContact CE-CD2 3.37Å; K235-H294 HydrophobicContact CG-CB 4.14Å; K235-E296 HydrophobicContact CB-CG 4.46Å |
| 236 | H | 92.7 | Very high | 92.1 | Very high | 30 Ų | 30 | 76.7 Ų | 76.7 | 14% | 0.139 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 146.1 | 178.9 | -61.2 | -86.8 | 0 | 0 | 0 | 110.4 | Q234 H294 Y295 S297 | Q234-H236 VanDerWaalsContact CD-CE1 3.45Å; Q234-H236 PolarHBondContact O-CD2 3.35Å; Q234-H236 VanDerWaalsContact O-CD2 3.27Å; Q234-H236 PolarHBondContact OE1-CE1 3.43Å; Q234-H236 PolarHBondContact OE1-NE2 3.44Å; H236-H294 WeakPolarHBondContact O-CA 3.37Å; H236-H294 VanDerWaalsContact O-CB 3.28Å; H236-H294 WeakPolarHBondContact O-CB 3.44Å; H236-H294 PolarHBondContact O-CD2 2.57Å; H236-Y295 HydrophobicContact CB-CD1 4.3Å; H236-Y295 HydrophobicContact CB-CD2 3.91Å; H236-Y295 HydrophobicContact CB-CE1 3.84Å; H236-Y295 HydrophobicContact CB-CE2 3.33Å; H236-Y295 HydrophobicContact CB-CG 4.35Å; H236-Y295 AromaticContact CD2-CE2 3.5Å; H236-Y295 VanDerWaalsContact CD2-CE2 3.5Å; H236-Y295 WeakPolarHBondContact CD2-CE2 3.39Å; H236-Y295 AromaticContact CG-CE2 3.52Å; H236-Y295 AromaticContact CG-CZ 3.83Å; H236-Y295 PolarHBondContact N-O 2.7Å; H236-Y295 PolarHBondContact O-N 3Å; H236-S297 PolarHBondContact CD2-OG 3.35Å; H236-S297 PolarHBondContact NE2-OG 2.81Å |
| 237 | R | 94.1 | Very high | 91.7 | Very high | 192 Ų | 192 | 75.3 Ų | 75.3 | 73% | 0.725 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 130.2 | 172 | -172.8 | 175 | -179.5 | -178 | -0.1 | 109.5 | Y268 | R237-Y268 PolarHBondContact O-OH 2.66Å |
| 238 | H | 95.6 | Very high | 91.5 | Very high | 12 Ų | 12 | 80 Ų | 80 | 6% | 0.056 | 40% | 0.398 | C | S | . | . | trans | -70.8 | 129.2 | 178 | -160.5 | -75.7 | 0 | 0 | 0 | 110 | W240 G241 R292 H293 Y295 | H238-W240 VanDerWaalsContact C-N 3.3Å; H238-W240 PolarHBondContact ND1-N 2.97Å; H238-W240 VanDerWaalsContact ND1-N 3.17Å; H238-W240 PolarHBondContact O-N 3.43Å; H238-G241 PolarHBondContact O-N 3.22Å; H238-R292 WeakPolarHBondContact CB-O 3.34Å; H238-H293 WeakPolarHBondContact CB-O 3.09Å; H238-H293 PolarHBondContact N-O 3.37Å; H238-Y295 HydrophobicContact CB-CD1 4.34Å; H238-Y295 AromaticContact CD2-CD1 3.81Å | ||
| 239 | P | 96.2 | Very high | 91.5 | Very high | 20 Ų | 20 | 84 Ų | 84 | 13% | 0.13 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -40.1 | -179.6 | -21.8 | 32.6 | 0 | 0 | 0 | 111.8 | G241 Y258 V262 Y268 | P239-G241 PolarHBondContact O-N 2.95Å; P239-Y258 HydrophobicContact CB-CE1 4.35Å; P239-Y258 PolarHBondContact O-OH 2.84Å; P239-V262 HydrophobicContact CB-CG1 4.26Å; P239-V262 HydrophobicContact CB-CG2 4.05Å; P239-V262 HydrophobicContact CG-CG1 4.27Å; P239-Y268 WeakPolarHBondContact CD-OH 3.41Å; P239-Y268 HydrophobicContact CG-CD2 4.26Å; P239-Y268 HydrophobicContact CG-CE1 3.92Å; P239-Y268 HydrophobicContact CG-CE2 3.52Å; P239-Y268 WeakPolarHBondContact CG-OH 3.43Å |
| 240 | W | 97.2 | Very high | 91.7 | Very high | 15 Ų | 15 | 78.3 Ų | 78.3 | 6% | 0.057 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 24.2 | 172.1 | -65.8 | -96.8 | 0 | 0 | 0 | 114.2 | H238 W252 Y258 C259 V262 L274 V277 A328 P329 | H238-W240 VanDerWaalsContact C-N 3.3Å; H238-W240 PolarHBondContact ND1-N 2.97Å; H238-W240 VanDerWaalsContact ND1-N 3.17Å; H238-W240 PolarHBondContact O-N 3.43Å; W240-W252 VanDerWaalsContact C-NE1 3.31Å; W240-W252 HydrophobicContact CB-CD2 4.42Å; W240-W252 HydrophobicContact CB-CG 4.35Å; W240-W252 AromaticContact CD1-CD2 3.8Å; W240-W252 AromaticContact CD1-CG 3.6Å; W240-W252 HydrophobicContact CG-CB 4.4Å; W240-W252 HydrophobicContact CG-CG 4.24Å; W240-W252 PolarHBondContact O-NE1 3.33Å; W240-Y258 HydrophobicContact CD2-CE1 4.17Å; W240-Y258 AromaticContact CE2-CD1 3.81Å; W240-Y258 AromaticContact CE2-CE1 3.84Å; W240-Y258 HydrophobicContact CG-CE1 4.45Å; W240-Y258 HydrophobicContact CZ2-CD1 4.02Å; W240-Y258 HydrophobicContact CZ2-CE1 4.18Å; W240-Y258 AromaticContact NE1-CD1 3.65Å; W240-Y258 AromaticContact NE1-CE1 3.93Å; W240-C259 HydrophobicContact CZ2-CB 4.11Å; W240-V262 HydrophobicContact CH2-CB 4.07Å; W240-V262 HydrophobicContact CH2-CG1 3.82Å; W240-V262 HydrophobicContact CH2-CG2 4.01Å; W240-V262 HydrophobicContact CZ2-CG2 4.29Å; W240-V262 HydrophobicContact CZ3-CG1 4Å; W240-V262 HydrophobicContact CZ3-CG2 4.46Å; W240-L274 HydrophobicContact CH2-CD1 4.04Å; W240-L274 HydrophobicContact CZ3-CD1 4.2Å; W240-V277 HydrophobicContact CE3-CG1 4.02Å; W240-V277 HydrophobicContact CZ3-CG1 3.97Å; W240-A328 HydrophobicContact CG-CB 4.49Å; W240-P329 HydrophobicContact CB-CG 4.2Å; W240-P329 HydrophobicContact CD2-CB 4.11Å; W240-P329 HydrophobicContact CD2-CG 3.59Å; W240-P329 HydrophobicContact CE3-CB 4.09Å; W240-P329 HydrophobicContact CE3-CG 3.77Å; W240-P329 HydrophobicContact CG-CG 3.76Å; W240-P329 HydrophobicContact CH2-CB 4.36Å; W240-P329 HydrophobicContact CZ2-CB 4.35Å; W240-P329 HydrophobicContact CZ3-CB 4.23Å; W240-P329 HydrophobicContact CZ3-CG 4.4Å |
| 241 | G | 94.8 | Very high | 91.9 | Very high | 11 Ų | 11 | 79 Ų | 79 | 11% | 0.113 | 38% | 0.378 | C | S | . | . | trans | -65.1 | 137.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | H238 P239 W252 | H238-G241 PolarHBondContact O-N 3.22Å; P239-G241 PolarHBondContact O-N 2.95Å; G241-W252 PolarHBondContact O-NE1 3.16Å; G241-W252 VanDerWaalsContact O-NE1 3.12Å | ||
| 242 | R | 93.6 | Very high | 92.2 | Very high | 44 Ų | 44 | 76.6 Ų | 76.6 | 17% | 0.166 | 37% | 0.369 | C | S | . | . | trans | -70 | 163.1 | 174.2 | -64.8 | 177 | -171.5 | -84.5 | -4 | 111.4 | Y244 W252 A290 S325 | R242-Y244 HydrophobicContact CB-CD2 4.22Å; R242-Y244 HydrophobicContact CB-CE2 3.92Å; R242-Y244 WeakPolarHBondContact O-CD2 3.09Å; R242-Y244 WeakPolarHBondContact O-CE2 3.23Å; R242-W252 HydrophobicContact CG-CZ2 4.09Å; R242-A290 PolarHBondContact NE-O 3.39Å; R242-A290 VanDerWaalsContact NE-O 3.09Å; R242-S325 PolarHBondContact NH2-OG 2.88Å | ||
| 243 | T | 89.6 | Confident | 92.3 | Very high | 42 Ų | 42 | 77.2 Ų | 77.2 | 26% | 0.258 | 37% | 0.367 | S | S | . | . | trans | -83.2 | -22.8 | 177.7 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | R245 K248 A250 | T243-R245 PolarHBondContact O-N 3Å; T243-R245 PolarHBondContact OG1-N 3.29Å; T243-K248 WeakPolarHBondContact CB-O 3.37Å; T243-K248 HydrophobicContact CG2-CD 4.42Å; T243-K248 HydrophobicContact CG2-CG 4.2Å; T243-K248 WeakPolarHBondContact CG2-O 3.47Å; T243-K248 PolarHBondContact OG1-O 3.03Å; T243-A250 HydrophobicContact CG2-CB 3.91Å | ||
| 244 | Y | 87.8 | Confident | 92.4 | Very high | 73 Ų | 73 | 81.6 Ų | 81.6 | 29% | 0.286 | 38% | 0.38 | S | S | . | . | trans | 53.6 | 28.2 | -173.3 | -57.5 | -88.7 | 0 | 0 | 0 | 113.5 | Y138 R242 D291 H293 | Y138-Y244 HydrophobicContact CD1-CD1 4.07Å; Y138-Y244 AromaticContact CD1-CE1 3.92Å; Y138-Y244 HydrophobicContact CD1-CE1 3.92Å; Y138-Y244 AromaticContact CD2-CD1 3.84Å; Y138-Y244 HydrophobicContact CD2-CD1 3.84Å; Y138-Y244 AromaticContact CD2-CE1 3.94Å; Y138-Y244 HydrophobicContact CD2-CE1 3.94Å; Y138-Y244 HydrophobicContact CE1-CD1 4.02Å; Y138-Y244 HydrophobicContact CE1-CE1 4.33Å; Y138-Y244 AromaticContact CE2-CD1 3.79Å; Y138-Y244 HydrophobicContact CE2-CD1 3.79Å; Y138-Y244 HydrophobicContact CE2-CE1 4.35Å; Y138-Y244 AromaticContact CG-CD1 3.98Å; Y138-Y244 HydrophobicContact CG-CD1 3.98Å; Y138-Y244 AromaticContact CG-CE1 3.71Å; Y138-Y244 HydrophobicContact CG-CE1 3.71Å; Y138-Y244 AromaticContact CZ-CD1 3.87Å; R242-Y244 HydrophobicContact CB-CD2 4.22Å; R242-Y244 HydrophobicContact CB-CE2 3.92Å; R242-Y244 WeakPolarHBondContact O-CD2 3.09Å; R242-Y244 WeakPolarHBondContact O-CE2 3.23Å; Y244-D291 WeakPolarHBondContact CE1-OD1 3.4Å; Y244-D291 PolarHBondContact OH-O 3.07Å; Y244-D291 PolarHBondContact OH-OD1 3.27Å; Y244-H293 HydrophobicContact CE2-CB 3.58Å; Y244-H293 AromaticContact CE2-CG 3.93Å; Y244-H293 AromaticContact CZ-CG 3.96Å; Y244-H293 AromaticContact CZ-ND1 3.96Å; Y244-H293 VanDerWaalsContact OH-CB 3.28Å; Y244-H293 WeakPolarHBondContact OH-CB 3.46Å; Y244-H293 PolarHBondContact OH-ND1 3Å | ||
| 245 | R | 87.8 | Confident | 92.6 | Very high | 170 Ų | 170 | 78.5 Ų | 78.5 | 64% | 0.642 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -127.7 | 123.7 | 178.8 | -69 | -177.1 | -171.4 | -167.1 | 1 | 108.8 | T243 G247 K248 | T243-R245 PolarHBondContact O-N 3Å; T243-R245 PolarHBondContact OG1-N 3.29Å; R245-G247 PolarHBondContact O-N 3.08Å; R245-K248 HydrophobicContact CB-CB 4.01Å; R245-K248 PolarHBondContact O-N 3.21Å; R245-K248 VanDerWaalsContact O-N 3.12Å |
| 246 | E | 84.6 | Confident | 92.6 | Very high | 202 Ų | 202 | 81.1 Ų | 81.1 | 94% | 0.944 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 134 | 176 | -165.9 | 177.2 | -179.7 | 0 | 0 | 110.5 | K248 | E246-K248 PolarHBondContact O-N 3.32Š|
| 247 | G | 85.3 | Confident | 92.6 | Very high | 85 Ų | 85 | 83 Ų | 83 | 88% | 0.876 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 2.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | R245 | R245-G247 PolarHBondContact O-N 3.08Š|
| 248 | K | 91.8 | Very high | 92.8 | Very high | 119 Ų | 119 | 75.3 Ų | 75.3 | 52% | 0.517 | 37% | 0.368 | S | S | . | . | trans | -113.6 | 105.5 | 178 | -171 | -179.4 | 180 | 171.9 | 0 | 111.6 | T243 R245 E246 | T243-K248 WeakPolarHBondContact CB-O 3.37Å; T243-K248 HydrophobicContact CG2-CD 4.42Å; T243-K248 HydrophobicContact CG2-CG 4.2Å; T243-K248 WeakPolarHBondContact CG2-O 3.47Å; T243-K248 PolarHBondContact OG1-O 3.03Å; R245-K248 HydrophobicContact CB-CB 4.01Å; R245-K248 PolarHBondContact O-N 3.21Å; R245-K248 VanDerWaalsContact O-N 3.12Å; E246-K248 PolarHBondContact O-N 3.32Å | ||
| 249 | L | 91.7 | Very high | 92.8 | Very high | 107 Ų | 107 | 74.8 Ų | 74.8 | 56% | 0.56 | 37% | 0.366 | S | S | * | . | trans | -72.6 | 143.1 | 174.8 | -53.8 | 178.2 | 0 | 0 | 0 | 111.5 | E253 Y254 | L249-E253 WeakPolarHBondContact CA-OE2 3.44Å; L249-E253 HydrophobicContact CB-CB 4.27Å; L249-E253 WeakPolarHBondContact CD2-OE2 3.49Å; L249-Y254 HydrophobicContact CB-CD1 4.14Å | ||
| 250 | A | 94.4 | Very high | 92.8 | Very high | 9 Ų | 9 | 78 Ų | 78 | 7% | 0.074 | 38% | 0.38 | C | S | . | . | trans | -72.9 | 158.2 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | T243 W252 E253 Y254 | T243-A250 HydrophobicContact CG2-CB 3.91Å; A250-W252 VanDerWaalsContact C-N 3.27Å; A250-W252 VanDerWaalsContact CB-CD1 3.47Å; A250-W252 HydrophobicContact CB-CD2 4.45Å; A250-W252 HydrophobicContact CB-CG 4.23Å; A250-W252 PolarHBondContact O-N 3.46Å; A250-E253 HydrophobicContact CB-CG 4.17Å; A250-E253 VanDerWaalsContact CB-OE1 3.22Å; A250-E253 WeakPolarHBondContact CB-OE1 3.47Å; A250-E253 VanDerWaalsContact N-CD 3.33Å; A250-E253 PolarHBondContact N-OE1 3.25Å; A250-E253 WeakPolarHBondContact O-CB 3.41Å; A250-E253 PolarHBondContact O-N 3.42Å; A250-Y254 VanDerWaalsContact O-CD1 3.27Å; A250-Y254 WeakPolarHBondContact O-CD1 3.41Å; A250-Y254 WeakPolarHBondContact O-CE1 3.45Å | ||
| 251 | R | 95.4 | Very high | 92.8 | Very high | 129 Ų | 129 | 79 Ų | 79 | 49% | 0.487 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.3 | -41.2 | -178.5 | -175.3 | 178 | 167.4 | -177.9 | -1.6 | 112.7 | E253 Y254 D255 Y258 | R251-E253 PolarHBondContact O-N 3.27Å; R251-Y254 HydrophobicContact CB-CE1 4.5Å; R251-Y254 HydrophobicContact CG-CE2 4.31Å; R251-Y254 PolarHBondContact O-N 2.82Å; R251-D255 HydrophobicContact CG-CB 4.08Å; R251-D255 IonicContact CZ-OD2 2.8Å; R251-D255 IonicContact NE-OD2 3.81Å; R251-D255 PolarHBondContact NE-OD2 3.12Å; R251-D255 IonicContact NH2-OD2 3.95Å; R251-D255 PolarHBondContact NH2-OD2 2.57Å; R251-D255 VanDerWaalsContact O-CB 3.24Å; R251-D255 WeakPolarHBondContact O-CB 3.46Å; R251-D255 PolarHBondContact O-N 2.8Å; R251-Y258 HydrophobicContact CB-CD2 4.16Å; R251-Y258 HydrophobicContact CB-CE2 4Å; R251-Y258 HydrophobicContact CG-CD2 3.77Å; R251-Y258 HydrophobicContact CG-CE2 3.99Å |
| 252 | W | 96.5 | Very high | 92.8 | Very high | 10 Ų | 10 | 78.6 Ų | 78.6 | 4% | 0.038 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.5 | -16.6 | 179.9 | 64.2 | -99.4 | 0 | 0 | 0 | 113.9 | W240 G241 R242 A250 Y258 A328 Q332 | W240-W252 VanDerWaalsContact C-NE1 3.31Å; W240-W252 HydrophobicContact CB-CD2 4.42Å; W240-W252 HydrophobicContact CB-CG 4.35Å; W240-W252 AromaticContact CD1-CD2 3.8Å; W240-W252 AromaticContact CD1-CG 3.6Å; W240-W252 HydrophobicContact CG-CB 4.4Å; W240-W252 HydrophobicContact CG-CG 4.24Å; W240-W252 PolarHBondContact O-NE1 3.33Å; G241-W252 PolarHBondContact O-NE1 3.16Å; G241-W252 VanDerWaalsContact O-NE1 3.12Å; R242-W252 HydrophobicContact CG-CZ2 4.09Å; A250-W252 VanDerWaalsContact C-N 3.27Å; A250-W252 VanDerWaalsContact CB-CD1 3.47Å; A250-W252 HydrophobicContact CB-CD2 4.45Å; A250-W252 HydrophobicContact CB-CG 4.23Å; A250-W252 PolarHBondContact O-N 3.46Å; W252-Y258 HydrophobicContact CB-CD1 3.36Å; W252-Y258 HydrophobicContact CB-CD2 4.2Å; W252-Y258 HydrophobicContact CB-CE1 3.58Å; W252-Y258 HydrophobicContact CB-CE2 4.39Å; W252-Y258 HydrophobicContact CB-CG 3.69Å; W252-A328 HydrophobicContact CE3-CB 3.77Å; W252-A328 HydrophobicContact CZ3-CB 3.88Å; W252-Q332 PolarHBondContact O-NE2 3.12Å |
| 253 | E | 94.9 | Very high | 92.9 | Very high | 71 Ų | 71 | 79.5 Ų | 79.5 | 33% | 0.332 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -79.4 | -23.4 | -179.3 | -65.5 | 170.3 | -139.8 | 0 | 0 | 112.7 | L249 A250 R251 | L249-E253 WeakPolarHBondContact CA-OE2 3.44Å; L249-E253 HydrophobicContact CB-CB 4.27Å; L249-E253 WeakPolarHBondContact CD2-OE2 3.49Å; A250-E253 HydrophobicContact CB-CG 4.17Å; A250-E253 VanDerWaalsContact CB-OE1 3.22Å; A250-E253 WeakPolarHBondContact CB-OE1 3.47Å; A250-E253 VanDerWaalsContact N-CD 3.33Å; A250-E253 PolarHBondContact N-OE1 3.25Å; A250-E253 WeakPolarHBondContact O-CB 3.41Å; A250-E253 PolarHBondContact O-N 3.42Å; R251-E253 PolarHBondContact O-N 3.27Å |
| 254 | Y | 94.3 | Very high | 93.1 | Very high | 152 Ų | 152 | 85.1 Ų | 85.1 | 60% | 0.596 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -123.2 | -17.3 | -178.6 | 63.3 | -101 | 0 | 0 | 0 | 114.6 | L249 A250 R251 | L249-Y254 HydrophobicContact CB-CD1 4.14Å; A250-Y254 VanDerWaalsContact O-CD1 3.27Å; A250-Y254 WeakPolarHBondContact O-CD1 3.41Å; A250-Y254 WeakPolarHBondContact O-CE1 3.45Å; R251-Y254 HydrophobicContact CB-CE1 4.5Å; R251-Y254 HydrophobicContact CG-CE2 4.31Å; R251-Y254 PolarHBondContact O-N 2.82Å |
| 255 | D | 95.1 | Very high | 93.3 | Very high | 25 Ų | 25 | 86.5 Ų | 86.5 | 13% | 0.134 | 42% | 0.423 | C | S | . | . | trans | -93.6 | 101.1 | 178 | -176.7 | -4.9 | 0 | 0 | 0 | 109.7 | R251 S257 Y258 | R251-D255 HydrophobicContact CG-CB 4.08Å; R251-D255 IonicContact CZ-OD2 2.8Å; R251-D255 IonicContact NE-OD2 3.81Å; R251-D255 PolarHBondContact NE-OD2 3.12Å; R251-D255 IonicContact NH2-OD2 3.95Å; R251-D255 PolarHBondContact NH2-OD2 2.57Å; R251-D255 VanDerWaalsContact O-CB 3.24Å; R251-D255 WeakPolarHBondContact O-CB 3.46Å; R251-D255 PolarHBondContact O-N 2.8Å; D255-S257 PolarHBondContact O-N 3.05Å; D255-S257 WeakPolarHBondContact OD1-CA 3.45Å; D255-S257 PolarHBondContact OD1-N 2.91Å; D255-S257 PolarHBondContact OD1-OG 3.47Å; D255-Y258 WeakPolarHBondContact O-CB 3.43Å; D255-Y258 PolarHBondContact O-N 3.46Å; D255-Y258 VanDerWaalsContact O-N 3.1Å; D255-Y258 PolarHBondContact OD1-N 3.46Å | ||
| 256 | E | 90.6 | Very high | 93.4 | Very high | 185 Ų | 185 | 82.7 Ų | 82.7 | 86% | 0.864 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -24.6 | 178.1 | -65.1 | -175 | 169.4 | 0 | 0 | 112.6 | Y258 | E256-Y258 VanDerWaalsContact C-N 3.33Š|
| 257 | S | 94.1 | Very high | 93.6 | Very high | 70 Ų | 70 | 75.9 Ų | 75.9 | 49% | 0.49 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 9.2 | 178.2 | 71.5 | 0 | 0 | 0 | 0 | 113.5 | D255 C259 E260 | D255-S257 PolarHBondContact O-N 3.05Å; D255-S257 WeakPolarHBondContact OD1-CA 3.45Å; D255-S257 PolarHBondContact OD1-N 2.91Å; D255-S257 PolarHBondContact OD1-OG 3.47Å; S257-C259 VanDerWaalsContact C-N 3.29Å; S257-C259 PolarHBondContact O-N 2.96Å; S257-E260 WeakPolarHBondContact O-CB 3.44Å; S257-E260 PolarHBondContact O-N 2.68Å |
| 258 | Y | 97.3 | Very high | 93.9 | Very high | 30 Ų | 30 | 72.7 Ų | 72.7 | 12% | 0.118 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54.8 | -41.2 | -172.9 | -178.2 | -103.4 | 0 | 0 | 0 | 113.3 | P239 W240 R251 W252 D255 E256 E260 A261 V262 | P239-Y258 HydrophobicContact CB-CE1 4.35Å; P239-Y258 PolarHBondContact O-OH 2.84Å; W240-Y258 HydrophobicContact CD2-CE1 4.17Å; W240-Y258 AromaticContact CE2-CD1 3.81Å; W240-Y258 AromaticContact CE2-CE1 3.84Å; W240-Y258 HydrophobicContact CG-CE1 4.45Å; W240-Y258 HydrophobicContact CZ2-CD1 4.02Å; W240-Y258 HydrophobicContact CZ2-CE1 4.18Å; W240-Y258 AromaticContact NE1-CD1 3.65Å; W240-Y258 AromaticContact NE1-CE1 3.93Å; R251-Y258 HydrophobicContact CB-CD2 4.16Å; R251-Y258 HydrophobicContact CB-CE2 4Å; R251-Y258 HydrophobicContact CG-CD2 3.77Å; R251-Y258 HydrophobicContact CG-CE2 3.99Å; W252-Y258 HydrophobicContact CB-CD1 3.36Å; W252-Y258 HydrophobicContact CB-CD2 4.2Å; W252-Y258 HydrophobicContact CB-CE1 3.58Å; W252-Y258 HydrophobicContact CB-CE2 4.39Å; W252-Y258 HydrophobicContact CB-CG 3.69Å; D255-Y258 WeakPolarHBondContact O-CB 3.43Å; D255-Y258 PolarHBondContact O-N 3.46Å; D255-Y258 VanDerWaalsContact O-N 3.1Å; D255-Y258 PolarHBondContact OD1-N 3.46Å; E256-Y258 VanDerWaalsContact C-N 3.33Å; Y258-E260 VanDerWaalsContact C-N 3.27Å; Y258-E260 PolarHBondContact O-N 3.21Å; Y258-A261 WeakPolarHBondContact O-CB 3.47Å; Y258-A261 PolarHBondContact O-N 3.29Å; Y258-A261 VanDerWaalsContact O-N 3.09Å; Y258-V262 HydrophobicContact CD1-CG2 3.84Å; Y258-V262 HydrophobicContact CE1-CG2 3.37Å; Y258-V262 HydrophobicContact CE2-CG2 4.45Å; Y258-V262 PolarHBondContact O-N 3.2Å; Y258-V262 VanDerWaalsContact O-N 3.11Å |
| 259 | C | 96.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.007 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.8 | -33 | 179.7 | -174.3 | 0 | 0 | 0 | 0 | 112.9 | W240 S257 A261 V262 K263 Q332 C333 | W240-C259 HydrophobicContact CZ2-CB 4.11Å; S257-C259 VanDerWaalsContact C-N 3.29Å; S257-C259 PolarHBondContact O-N 2.96Å; C259-A261 PolarHBondContact O-N 2.03Å; C259-V262 PolarHBondContact O-N 3.18Å; C259-K263 WeakPolarHBondContact O-CG 3.49Å; C259-K263 PolarHBondContact O-N 3.46Å; C259-Q332 HydrophobicContact CB-CB 3.94Å; C259-C333 HydrophobicContact CB-CB 4.04Å; C259-C333 WeakPolarHBondContact CB-SG 3.2Å; C259-C333 WeakPolarHBondContact SG-CA 3.14Å; C259-C333 WeakPolarHBondContact SG-CB 3.42Å; C259-C333 CovalentContact SG-SG 2.02Å; C259-C333 PolarHBondContact SG-SG 3.12Å |
| 260 | E | 95.8 | Very high | 93.5 | Very high | 89 Ų | 89 | 69.4 Ų | 69.4 | 42% | 0.416 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.6 | -26.8 | 177.2 | -63.8 | -55.2 | 125.3 | 0 | 0 | 112.6 | S257 Y258 K263 K264 | S257-E260 WeakPolarHBondContact O-CB 3.44Å; S257-E260 PolarHBondContact O-N 2.68Å; Y258-E260 VanDerWaalsContact C-N 3.27Å; Y258-E260 PolarHBondContact O-N 3.21Å; E260-K263 IonicContact OE1-NZ 2.92Å; E260-K263 PolarHBondContact OE1-NZ 3.04Å; E260-K264 WeakPolarHBondContact O-CG 3.49Å |
| 261 | A | 96 | Very high | 93 | Very high | 36 Ų | 36 | 72 Ų | 72 | 30% | 0.298 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -75.3 | -39.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y258 C259 K264 | Y258-A261 WeakPolarHBondContact O-CB 3.47Å; Y258-A261 PolarHBondContact O-N 3.29Å; Y258-A261 VanDerWaalsContact O-N 3.09Å; C259-A261 PolarHBondContact O-N 2.03Å; A261-K264 PolarHBondContact O-N 3.04Å |
| 262 | V | 96.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.012 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.2 | -43 | 177.5 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | P239 W240 Y258 C259 K264 M265 Y268 L274 | P239-V262 HydrophobicContact CB-CG1 4.26Å; P239-V262 HydrophobicContact CB-CG2 4.05Å; P239-V262 HydrophobicContact CG-CG1 4.27Å; W240-V262 HydrophobicContact CH2-CB 4.07Å; W240-V262 HydrophobicContact CH2-CG1 3.82Å; W240-V262 HydrophobicContact CH2-CG2 4.01Å; W240-V262 HydrophobicContact CZ2-CG2 4.29Å; W240-V262 HydrophobicContact CZ3-CG1 4Å; W240-V262 HydrophobicContact CZ3-CG2 4.46Å; Y258-V262 HydrophobicContact CD1-CG2 3.84Å; Y258-V262 HydrophobicContact CE1-CG2 3.37Å; Y258-V262 HydrophobicContact CE2-CG2 4.45Å; Y258-V262 PolarHBondContact O-N 3.2Å; Y258-V262 VanDerWaalsContact O-N 3.11Å; C259-V262 PolarHBondContact O-N 3.18Å; V262-K264 PolarHBondContact O-N 3.23Å; V262-M265 WeakPolarHBondContact O-CB 3.24Å; V262-M265 PolarHBondContact O-N 2.97Å; V262-Y268 HydrophobicContact CG1-CD2 3.89Å; V262-Y268 HydrophobicContact CG1-CG 3.88Å; V262-L274 HydrophobicContact CG1-CD1 4.27Å |
| 263 | K | 94.9 | Very high | 92.5 | Very high | 62 Ų | 62 | 66.3 Ų | 66.3 | 27% | 0.27 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -12.8 | 176.2 | -74.9 | 174.5 | -179.1 | 170.8 | 0 | 114.3 | C259 E260 D269 L274 | C259-K263 WeakPolarHBondContact O-CG 3.49Å; C259-K263 PolarHBondContact O-N 3.46Å; E260-K263 IonicContact OE1-NZ 2.92Å; E260-K263 PolarHBondContact OE1-NZ 3.04Å; K263-D269 VanDerWaalsContact O-CA 3.27Å; K263-D269 WeakPolarHBondContact O-CA 3.38Å; K263-L274 HydrophobicContact CG-CD2 3.65Å |
| 264 | K | 94.4 | Very high | 92.4 | Very high | 161 Ų | 161 | 63.4 Ų | 63.4 | 70% | 0.7 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 1.8 | 178.9 | -62.1 | 174.3 | -172.2 | 175.4 | 0 | 112.9 | E260 A261 V262 | E260-K264 WeakPolarHBondContact O-CG 3.49Å; A261-K264 PolarHBondContact O-N 3.04Å; V262-K264 PolarHBondContact O-N 3.23Å |
| 265 | M | 92.1 | Very high | 92.4 | Very high | 102 Ų | 102 | 56.6 Ų | 56.6 | 50% | 0.502 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -108.3 | 126.3 | -174.5 | -176.1 | -176.4 | -62.3 | 0 | 0 | 110.3 | V262 Y268 D269 | V262-M265 WeakPolarHBondContact O-CB 3.24Å; V262-M265 PolarHBondContact O-N 2.97Å; M265-Y268 WeakPolarHBondContact O-CA 3.49Å; M265-Y268 WeakPolarHBondContact O-CB 3.25Å; M265-Y268 WeakPolarHBondContact O-CD2 3.43Å; M265-Y268 PolarHBondContact O-N 3.02Å; M265-D269 PolarHBondContact O-N 3.41Å |
| 266 | P | 88.9 | Confident | 92.4 | Very high | 90 Ų | 90 | 55.4 Ų | 55.4 | 58% | 0.584 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 140.2 | 169.7 | -24 | 32.9 | 0 | 0 | 0 | 112.3 | D269 | P266-D269 VanDerWaalsContact CA-OD1 3.29Å; P266-D269 WeakPolarHBondContact CA-OD1 3.37Å |
| 267 | P | 89.7 | Confident | 92.7 | Very high | 58 Ų | 58 | 46.6 Ų | 46.6 | 38% | 0.377 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -93.7 | 22.8 | 0.6 | 37.7 | -36.4 | 0 | 0 | 0 | 114.3 | R273 | P267-R273 HydrophobicContact CG-CG 4.17Å; P267-R273 WeakPolarHBondContact O-CB 3.45Å |
| 268 | Y | 91.6 | Very high | 92.8 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 7% | 0.071 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -93.6 | -8.7 | -176 | -48.2 | -72.3 | 0 | 0 | 0 | 113.7 | R237 P239 V262 M265 A270 R273 V277 Y295 | R237-Y268 PolarHBondContact O-OH 2.66Å; P239-Y268 WeakPolarHBondContact CD-OH 3.41Å; P239-Y268 HydrophobicContact CG-CD2 4.26Å; P239-Y268 HydrophobicContact CG-CE1 3.92Å; P239-Y268 HydrophobicContact CG-CE2 3.52Å; P239-Y268 WeakPolarHBondContact CG-OH 3.43Å; V262-Y268 HydrophobicContact CG1-CD2 3.89Å; V262-Y268 HydrophobicContact CG1-CG 3.88Å; M265-Y268 WeakPolarHBondContact O-CA 3.49Å; M265-Y268 WeakPolarHBondContact O-CB 3.25Å; M265-Y268 WeakPolarHBondContact O-CD2 3.43Å; M265-Y268 PolarHBondContact O-N 3.02Å; Y268-A270 VanDerWaalsContact C-N 3.32Å; Y268-R273 HydrophobicContact CD1-CB 4.47Å; Y268-R273 HydrophobicContact CD1-CG 3.83Å; Y268-R273 HydrophobicContact CE1-CG 3.83Å; Y268-V277 HydrophobicContact CE1-CG2 3.99Å; Y268-Y295 HydrophobicContact CE1-CE1 4.45Å; Y268-Y295 WeakPolarHBondContact CE1-OH 3.4Å; Y268-Y295 WeakPolarHBondContact OH-CE1 3.35Å; Y268-Y295 PolarHBondContact OH-OH 3.42Å |
| 269 | D | 89.1 | Confident | 92.7 | Very high | 88 Ų | 88 | 42 Ų | 42 | 47% | 0.471 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -77.8 | -16 | 178.8 | 61.4 | -24 | 0 | 0 | 0 | 113.7 | K263 M265 P266 | K263-D269 VanDerWaalsContact O-CA 3.27Å; K263-D269 WeakPolarHBondContact O-CA 3.38Å; M265-D269 PolarHBondContact O-N 3.41Å; P266-D269 VanDerWaalsContact CA-OD1 3.29Å; P266-D269 WeakPolarHBondContact CA-OD1 3.37Å |
| 270 | A | 84.3 | Confident | 92.7 | Very high | 69 Ų | 69 | 41.9 Ų | 41.9 | 57% | 0.57 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -147.1 | 163.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y268 | Y268-A270 VanDerWaalsContact C-N 3.32Š|
| 271 | G | 85.5 | Confident | 92.8 | Very high | 64 Ų | 64 | 37.8 Ų | 37.8 | 66% | 0.66 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71 | -165.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R273 | G271-R273 VanDerWaalsContact C-N 3.32Å; G271-R273 PolarHBondContact O-N 3.25Å |
| 272 | P | 89.2 | Confident | 92.8 | Very high | 11 Ų | 11 | 36 Ų | 36 | 7% | 0.071 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -4.7 | -170.9 | 33.1 | -36.2 | 0 | 0 | 0 | 113.8 | L274 L275 D276 M406 | P272-L274 PolarHBondContact O-N 3.48Å; P272-L275 PolarHBondContact O-N 2.91Å; P272-L275 VanDerWaalsContact O-N 3.16Å; P272-D276 PolarHBondContact O-N 2.72Å; P272-M406 HydrophobicContact CB-SD 4.08Å; P272-M406 HydrophobicContact CG-SD 4.07Å |
| 273 | R | 91.1 | Very high | 92.9 | Very high | 9 Ų | 9 | 36 Ų | 36 | 3% | 0.034 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | -164.6 | -173.1 | 59.6 | 60.5 | 126.9 | -2.3 | 113.5 | P267 Y268 G271 D276 V277 Y295 S297 S305 | P267-R273 HydrophobicContact CG-CG 4.17Å; P267-R273 WeakPolarHBondContact O-CB 3.45Å; Y268-R273 HydrophobicContact CD1-CB 4.47Å; Y268-R273 HydrophobicContact CD1-CG 3.83Å; Y268-R273 HydrophobicContact CE1-CG 3.83Å; G271-R273 VanDerWaalsContact C-N 3.32Å; G271-R273 PolarHBondContact O-N 3.25Å; R273-D276 PolarHBondContact O-N 2.99Å; R273-V277 WeakPolarHBondContact O-CG2 3.41Å; R273-V277 PolarHBondContact O-N 2.82Å; R273-Y295 VanDerWaalsContact NH1-CE2 3.26Å; R273-S297 PolarHBondContact NH1-OG 3.16Å; R273-S297 PolarHBondContact NH2-OG 3.43Å; R273-S305 PolarHBondContact NH2-O 3.09Å; R273-S305 PolarHBondContact NH2-OG 2.74Å |
| 274 | L | 94.1 | Very high | 93 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 5% | 0.047 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.8 | -41.2 | 177.9 | -178.4 | 58.8 | 0 | 0 | 0 | 111.6 | W240 V262 K263 P272 D276 V277 I278 M335 | W240-L274 HydrophobicContact CH2-CD1 4.04Å; W240-L274 HydrophobicContact CZ3-CD1 4.2Å; V262-L274 HydrophobicContact CG1-CD1 4.27Å; K263-L274 HydrophobicContact CG-CD2 3.65Å; P272-L274 PolarHBondContact O-N 3.48Å; L274-D276 VanDerWaalsContact C-N 3.3Å; L274-D276 PolarHBondContact O-N 3.41Å; L274-V277 WeakPolarHBondContact O-CB 3.16Å; L274-V277 PolarHBondContact O-N 3.02Å; L274-I278 HydrophobicContact CG-CD1 4.28Å; L274-I278 WeakPolarHBondContact O-CG1 3.24Å; L274-I278 PolarHBondContact O-N 3.46Å; L274-M335 HydrophobicContact CD2-CE 4.22Å; L274-M335 HydrophobicContact CD2-SD 3.71Å; L274-M335 HydrophobicContact CG-SD 4.24Å |
| 275 | L | 94.2 | Very high | 93.2 | Very high | 10 Ų | 10 | 26.4 Ų | 26.4 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.8 | -35.9 | 174.5 | -70.1 | 174.6 | 0 | 0 | 0 | 111.8 | P272 I278 D279 M335 I402 D404 | P272-L275 PolarHBondContact O-N 2.91Å; P272-L275 VanDerWaalsContact O-N 3.16Å; L275-I278 PolarHBondContact O-N 2.99Å; L275-D279 PolarHBondContact O-N 3.18Å; L275-M335 HydrophobicContact CD2-CE 3.55Å; L275-M335 HydrophobicContact CD2-CG 4.32Å; L275-M335 HydrophobicContact CG-CE 4.01Å; L275-I402 HydrophobicContact CD1-CB 4.26Å; L275-I402 HydrophobicContact CD1-CG2 3.95Å; L275-I402 HydrophobicContact CD2-CB 4.24Å; L275-I402 HydrophobicContact CD2-CG1 4.28Å; L275-D404 HydrophobicContact CD1-CB 4.37Å |
| 276 | D | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 174.8 | -69.8 | -22.4 | 0 | 0 | 0 | 111.9 | R74 R163 P272 R273 L274 I278 D279 T280 L307 R337 | R74-D276 IonicContact CZ-OD1 2.97Å; R74-D276 IonicContact CZ-OD2 3.8Å; R74-D276 VanDerWaalsContact CZ-OD2 3.29Å; R74-D276 IonicContact NH1-OD2 3.39Å; R74-D276 PolarHBondContact NH1-OD2 2.81Å; R74-D276 VanDerWaalsContact NH2-CG 3.3Å; R74-D276 IonicContact NH2-OD1 2.72Å; R74-D276 PolarHBondContact NH2-OD1 3.28Å; R74-D276 IonicContact NH2-OD2 2.83Å; R74-D276 PolarHBondContact NH2-OD2 2.89Å; R163-D276 IonicContact CZ-OD1 3.12Å; R163-D276 PolarHBondContact NH1-O 2.97Å; R163-D276 IonicContact NH1-OD1 3.47Å; R163-D276 IonicContact NH2-OD1 3.4Å; R163-D276 PolarHBondContact NH2-OD1 3.32Å; P272-D276 PolarHBondContact O-N 2.72Å; R273-D276 PolarHBondContact O-N 2.99Å; L274-D276 VanDerWaalsContact C-N 3.3Å; L274-D276 PolarHBondContact O-N 3.41Å; D276-I278 VanDerWaalsContact C-N 3.3Å; D276-I278 PolarHBondContact O-N 3.42Å; D276-D279 PolarHBondContact O-N 3.36Å; D276-T280 WeakPolarHBondContact O-CB 3.41Å; D276-T280 PolarHBondContact O-N 3.45Å; D276-T280 PolarHBondContact O-OG1 3.35Å; D276-T280 VanDerWaalsContact O-OG1 3.05Å; D276-L307 HydrophobicContact CB-CB 4.15Å; D276-R337 IonicContact OD1-CZ 3.06Å; D276-R337 IonicContact OD1-NH1 2.84Å; D276-R337 IonicContact OD1-NH2 2.79Å; D276-R337 PolarHBondContact OD1-NH2 3.47Å; D276-R337 VanDerWaalsContact OD1-NH2 3.12Å |
| 277 | V | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 172.4 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | W240 Y268 R273 L274 T280 A281 Y295 L307 P329 | W240-V277 HydrophobicContact CE3-CG1 4.02Å; W240-V277 HydrophobicContact CZ3-CG1 3.97Å; Y268-V277 HydrophobicContact CE1-CG2 3.99Å; R273-V277 WeakPolarHBondContact O-CG2 3.41Å; R273-V277 PolarHBondContact O-N 2.82Å; L274-V277 WeakPolarHBondContact O-CB 3.16Å; L274-V277 PolarHBondContact O-N 3.02Å; V277-T280 PolarHBondContact O-N 3.29Å; V277-A281 WeakPolarHBondContact O-CB 3.44Å; V277-A281 PolarHBondContact O-N 3.13Å; V277-Y295 HydrophobicContact CG2-CE1 4.31Å; V277-L307 HydrophobicContact CG2-CD1 4.13Å; V277-P329 HydrophobicContact CG1-CB 4.31Å; V277-P329 HydrophobicContact CG1-CG 4.36Å |
| 278 | I | 96.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -70.3 | -42.7 | -179.7 | -65.3 | 165.2 | 0 | 0 | 0 | 111.7 | L274 L275 D276 T280 A281 V282 P329 L330 C333 M335 | L274-I278 HydrophobicContact CG-CD1 4.28Å; L274-I278 WeakPolarHBondContact O-CG1 3.24Å; L274-I278 PolarHBondContact O-N 3.46Å; L275-I278 PolarHBondContact O-N 2.99Å; D276-I278 VanDerWaalsContact C-N 3.3Å; D276-I278 PolarHBondContact O-N 3.42Å; I278-T280 VanDerWaalsContact C-N 3.27Å; I278-T280 PolarHBondContact O-N 2.87Å; I278-A281 WeakPolarHBondContact O-CB 3.46Å; I278-A281 PolarHBondContact O-N 3.08Å; I278-V282 PolarHBondContact O-N 3.47Å; I278-P329 HydrophobicContact CG1-CB 3.98Å; I278-L330 HydrophobicContact CG2-CB 4.19Å; I278-L330 HydrophobicContact CG2-CD1 3.8Å; I278-C333 HydrophobicContact CD1-CB 3.91Å; I278-M335 HydrophobicContact CD1-CG 3.27Å; I278-M335 WeakPolarHBondContact CD1-O 3.47Å; I278-M335 HydrophobicContact CD1-SD 4.05Å; I278-M335 WeakPolarHBondContact CG2-O 3.38Å |
| 279 | D | 95.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.6 | -45 | 171.5 | -79.9 | -13.7 | 0 | 0 | 0 | 111.3 | F161 R163 L275 D276 A281 V282 F283 R337 T340 | F161-D279 HydrophobicContact CD1-CB 4.31Å; F161-D279 HydrophobicContact CE1-CB 3.63Å; F161-D279 VanDerWaalsContact CE1-CG 3.48Å; F161-D279 HydrophobicContact CZ-CB 3.9Å; R163-D279 IonicContact CZ-OD2 2.65Å; R163-D279 IonicContact NH1-OD2 2.86Å; R163-D279 IonicContact NH2-OD2 3.82Å; R163-D279 PolarHBondContact NH2-OD2 3.48Å; L275-D279 PolarHBondContact O-N 3.18Å; D276-D279 PolarHBondContact O-N 3.36Å; D279-A281 VanDerWaalsContact C-N 3.32Å; D279-A281 PolarHBondContact O-N 3.19Å; D279-V282 WeakPolarHBondContact O-CB 3.45Å; D279-V282 PolarHBondContact O-N 3.35Å; D279-F283 PolarHBondContact O-N 2.62Å; D279-R337 IonicContact OD1-NH1 3.52Å; D279-R337 IonicContact OD2-CZ 2.88Å; D279-R337 IonicContact OD2-NH1 3.45Å; D279-R337 PolarHBondContact OD2-NH1 3.21Å; D279-T340 WeakPolarHBondContact OD1-CB 3.46Å; D279-T340 WeakPolarHBondContact OD1-CG2 3.29Å; D279-T340 PolarHBondContact OD1-OG1 2.91Å |
| 280 | T | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.6 | -37 | 177.7 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | D276 V277 I278 F283 D284 L307 L309 | D276-T280 WeakPolarHBondContact O-CB 3.41Å; D276-T280 PolarHBondContact O-N 3.45Å; D276-T280 PolarHBondContact O-OG1 3.35Å; D276-T280 VanDerWaalsContact O-OG1 3.05Å; V277-T280 PolarHBondContact O-N 3.29Å; I278-T280 VanDerWaalsContact C-N 3.27Å; I278-T280 PolarHBondContact O-N 2.87Å; T280-F283 WeakPolarHBondContact O-CB 3.02Å; T280-F283 PolarHBondContact O-N 3.18Å; T280-D284 VanDerWaalsContact O-CB 3.32Å; T280-D284 WeakPolarHBondContact O-CB 3.28Å; T280-D284 PolarHBondContact O-N 2.74Å; T280-L307 HydrophobicContact CG2-CD1 4.36Å; T280-L307 HydrophobicContact CG2-CD2 3.99Å; T280-L307 WeakPolarHBondContact OG1-CD2 3.43Å; T280-L309 HydrophobicContact CG2-CD2 3.61Å |
| 281 | A | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 9.1 Ų | 9.1 | 2% | 0.017 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.4 | -38.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V277 I278 D279 Y285 P329 | V277-A281 WeakPolarHBondContact O-CB 3.44Å; V277-A281 PolarHBondContact O-N 3.13Å; I278-A281 WeakPolarHBondContact O-CB 3.46Å; I278-A281 PolarHBondContact O-N 3.08Å; D279-A281 VanDerWaalsContact C-N 3.32Å; D279-A281 PolarHBondContact O-N 3.19Å; A281-Y285 VanDerWaalsContact O-CB 3.28Å; A281-Y285 WeakPolarHBondContact O-CB 3.06Å; A281-Y285 PolarHBondContact O-N 2.92Å; A281-P329 HydrophobicContact CB-CB 4.01Å; A281-P329 HydrophobicContact CB-CG 3.71Å |
| 282 | V | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61.7 | -48.1 | 171.5 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | I278 D279 Y285 L286 L327 L330 I336 L344 V384 | I278-V282 PolarHBondContact O-N 3.47Å; D279-V282 WeakPolarHBondContact O-CB 3.45Å; D279-V282 PolarHBondContact O-N 3.35Å; V282-Y285 PolarHBondContact O-N 3.15Å; V282-L286 HydrophobicContact CG1-CD1 4.3Å; V282-L286 WeakPolarHBondContact O-CG 3.5Å; V282-L286 PolarHBondContact O-N 3.48Å; V282-L286 VanDerWaalsContact O-N 3.08Å; V282-L327 HydrophobicContact CG2-CD2 4.45Å; V282-L330 HydrophobicContact CG2-CD2 4.15Å; V282-I336 HydrophobicContact CG2-CD1 4.4Å; V282-L344 HydrophobicContact CG1-CD1 4.05Å; V282-L344 HydrophobicContact CG1-CD2 4.04Å; V282-V384 HydrophobicContact CG1-CG1 3.96Å; V282-V384 HydrophobicContact CG1-CG2 4.3Å; V282-V384 HydrophobicContact CG2-CG1 3.96Å |
| 283 | F | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -58.4 | -51.5 | 176.9 | 176.4 | -97.3 | 0 | 0 | 0 | 111.9 | A150 L153 D154 F161 D279 T280 Y285 L286 I287 L309 | A150-F283 HydrophobicContact CB-CE1 4.46Å; A150-F283 HydrophobicContact CB-CZ 3.88Å; A150-F283 WeakPolarHBondContact O-CZ 3.29Å; L153-F283 HydrophobicContact CB-CE2 4.16Å; L153-F283 HydrophobicContact CD2-CD2 4.14Å; L153-F283 HydrophobicContact CD2-CE2 3.91Å; L153-F283 HydrophobicContact CG-CD2 4.43Å; L153-F283 HydrophobicContact CG-CE2 4.06Å; D154-F283 HydrophobicContact CB-CE2 4.09Å; D154-F283 HydrophobicContact CB-CZ 4.47Å; F161-F283 HydrophobicContact CD2-CB 4.43Å; F161-F283 HydrophobicContact CD2-CD2 4.26Å; F161-F283 HydrophobicContact CE2-CB 4.01Å; F161-F283 HydrophobicContact CE2-CD2 4.41Å; D279-F283 PolarHBondContact O-N 2.62Å; T280-F283 WeakPolarHBondContact O-CB 3.02Å; T280-F283 PolarHBondContact O-N 3.18Å; F283-Y285 VanDerWaalsContact C-N 3.28Å; F283-Y285 PolarHBondContact O-N 3.13Å; F283-L286 WeakPolarHBondContact O-CB 3.47Å; F283-L286 PolarHBondContact O-N 3.15Å; F283-I287 HydrophobicContact CD1-CD1 3.97Å; F283-I287 HydrophobicContact CE1-CD1 3.52Å; F283-I287 HydrophobicContact CZ-CD1 4.13Å; F283-I287 HydrophobicContact CZ-CG2 4.43Å; F283-I287 PolarHBondContact O-N 2.98Å; F283-I287 VanDerWaalsContact O-N 3.13Å; F283-L309 HydrophobicContact CD1-CD1 3.9Å; F283-L309 HydrophobicContact CD1-CD2 3.96Å; F283-L309 HydrophobicContact CD1-CG 4.5Å; F283-L309 HydrophobicContact CD2-CD1 4.17Å; F283-L309 HydrophobicContact CE1-CD1 3.9Å; F283-L309 HydrophobicContact CE1-CD2 4.29Å; F283-L309 HydrophobicContact CE1-CG 4.48Å; F283-L309 HydrophobicContact CE2-CD1 4.18Å; F283-L309 HydrophobicContact CG-CD1 4.02Å; F283-L309 HydrophobicContact CZ-CD1 4.03Å |
| 284 | D | 97.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 12.8 Ų | 12.8 | 3% | 0.027 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.2 | -38.2 | 179.1 | -79 | -27.2 | 0 | 0 | 0 | 111.7 | T280 I287 G288 N289 R292 I326 | T280-D284 VanDerWaalsContact O-CB 3.32Å; T280-D284 WeakPolarHBondContact O-CB 3.28Å; T280-D284 PolarHBondContact O-N 2.74Å; D284-I287 WeakPolarHBondContact O-CG1 3.37Å; D284-I287 PolarHBondContact O-N 3.15Å; D284-G288 CarbonylContact O-C 3.58Å; D284-G288 VanDerWaalsContact O-CA 3.31Å; D284-G288 WeakPolarHBondContact O-CA 3.18Å; D284-G288 PolarHBondContact O-N 3.26Å; D284-N289 HydrophobicContact CB-CB 4.08Å; D284-N289 PolarHBondContact O-N 3.07Å; D284-N289 WeakPolarHBondContact OD1-CB 3.29Å; D284-N289 PolarHBondContact OD1-ND2 3.49Å; D284-R292 VanDerWaalsContact CG-NE 3.33Å; D284-R292 IonicContact OD1-CZ 3.59Å; D284-R292 IonicContact OD1-NE 2.92Å; D284-R292 PolarHBondContact OD1-NE 2.96Å; D284-R292 IonicContact OD1-NH2 2.74Å; D284-R292 PolarHBondContact OD1-NH2 3.26Å; D284-R292 VanDerWaalsContact OD2-CD 3.26Å; D284-R292 WeakPolarHBondContact OD2-CD 3.47Å; D284-R292 IonicContact OD2-CZ 3.66Å; D284-R292 IonicContact OD2-NE 2.75Å; D284-R292 PolarHBondContact OD2-NE 3.25Å; D284-R292 IonicContact OD2-NH2 2.7Å; D284-I326 HydrophobicContact CB-CG2 3.61Å |
| 285 | Y | 98.3 | Very high | 96.2 | Very high | 18 Ų | 18 | 12.6 Ų | 12.6 | 7% | 0.071 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.5 | -42.6 | 177.3 | 176.6 | -105.9 | 0 | 0 | 0 | 111.9 | A281 V282 F283 I287 G288 D322 E323 I326 L327 R380 V384 | A281-Y285 VanDerWaalsContact O-CB 3.28Å; A281-Y285 WeakPolarHBondContact O-CB 3.06Å; A281-Y285 PolarHBondContact O-N 2.92Å; V282-Y285 PolarHBondContact O-N 3.15Å; F283-Y285 VanDerWaalsContact C-N 3.28Å; F283-Y285 PolarHBondContact O-N 3.13Å; Y285-I287 VanDerWaalsContact C-N 3.34Å; Y285-I287 PolarHBondContact O-N 3.07Å; Y285-G288 PolarHBondContact O-N 3.44Å; Y285-D322 HydrophobicContact CE2-CB 4.38Å; Y285-E323 WeakPolarHBondContact CD2-O 3.28Å; Y285-I326 HydrophobicContact CD2-CB 4.28Å; Y285-L327 HydrophobicContact CD1-CD1 3.65Å; Y285-L327 HydrophobicContact CD1-CD2 3.94Å; Y285-L327 HydrophobicContact CD1-CG 3.83Å; Y285-L327 HydrophobicContact CD2-CD1 4.02Å; Y285-L327 HydrophobicContact CD2-CD2 4.41Å; Y285-L327 HydrophobicContact CD2-CG 3.7Å; Y285-L327 HydrophobicContact CE1-CD1 3.65Å; Y285-L327 HydrophobicContact CE1-CG 4.28Å; Y285-L327 HydrophobicContact CE2-CD1 4.05Å; Y285-L327 HydrophobicContact CE2-CG 4.2Å; Y285-L327 HydrophobicContact CG-CD1 3.81Å; Y285-L327 HydrophobicContact CG-CD2 3.71Å; Y285-L327 HydrophobicContact CG-CG 3.47Å; Y285-L327 VanDerWaalsContact CG-CG 3.47Å; Y285-R380 HydrophobicContact CD1-CB 4.19Å; Y285-R380 HydrophobicContact CE1-CB 3.78Å; Y285-R380 HydrophobicContact CE1-CG 4.2Å; Y285-R380 WeakPolarHBondContact CE1-O 3.17Å; Y285-R380 WeakPolarHBondContact O-CD 3.27Å; Y285-V384 HydrophobicContact CD1-CG2 3.49Å; Y285-V384 VanDerWaalsContact CD1-CG2 3.49Å; Y285-V384 HydrophobicContact CE1-CG2 3.87Å |
| 286 | L | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.6 | -46.7 | 177 | -69.1 | 171.3 | 0 | 0 | 0 | 111 | L153 L159 V282 F283 G288 L344 L352 L377 R380 L381 V384 | L153-L286 HydrophobicContact CD2-CB 4.33Å; L159-L286 HydrophobicContact CD1-CD1 4.29Å; L159-L286 HydrophobicContact CD2-CD1 4.45Å; V282-L286 HydrophobicContact CG1-CD1 4.3Å; V282-L286 WeakPolarHBondContact O-CG 3.5Å; V282-L286 PolarHBondContact O-N 3.48Å; V282-L286 VanDerWaalsContact O-N 3.08Å; F283-L286 WeakPolarHBondContact O-CB 3.47Å; F283-L286 PolarHBondContact O-N 3.15Å; L286-G288 VanDerWaalsContact C-N 3.34Å; L286-L344 HydrophobicContact CD1-CD2 4.46Å; L286-L352 HydrophobicContact CD2-CD2 4.3Å; L286-L377 HydrophobicContact CB-CD2 4.18Å; L286-L377 WeakPolarHBondContact O-CD2 3.43Å; L286-R380 HydrophobicContact CD2-CB 4.06Å; L286-R380 WeakPolarHBondContact O-CD 3.27Å; L286-R380 PolarHBondContact O-NH1 3.46Å; L286-L381 HydrophobicContact CD2-CB 4.03Å; L286-V384 HydrophobicContact CD2-CG2 4.37Å |
| 287 | I | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -80.3 | -16.3 | 179.5 | 70.1 | 178.5 | 0 | 0 | 0 | 112.8 | A150 L153 F283 D284 Y285 N289 N312 S315 F316 R380 | A150-I287 HydrophobicContact CB-CD1 4.41Å; L153-I287 HydrophobicContact CD2-CG2 3.31Å; F283-I287 HydrophobicContact CD1-CD1 3.97Å; F283-I287 HydrophobicContact CE1-CD1 3.52Å; F283-I287 HydrophobicContact CZ-CD1 4.13Å; F283-I287 HydrophobicContact CZ-CG2 4.43Å; F283-I287 PolarHBondContact O-N 2.98Å; F283-I287 VanDerWaalsContact O-N 3.13Å; D284-I287 WeakPolarHBondContact O-CG1 3.37Å; D284-I287 PolarHBondContact O-N 3.15Å; Y285-I287 VanDerWaalsContact C-N 3.34Å; Y285-I287 PolarHBondContact O-N 3.07Å; I287-N289 HydrophobicContact CD1-CB 3.78Å; I287-N289 HydrophobicContact CG1-CB 3.77Å; I287-N312 HydrophobicContact CD1-CB 4.26Å; I287-S315 VanDerWaalsContact CD1-CB 3.48Å; I287-S315 VanDerWaalsContact CG1-CB 3.43Å; I287-S315 WeakPolarHBondContact O-CB 3.26Å; I287-F316 HydrophobicContact CB-CD2 4.21Å; I287-F316 HydrophobicContact CB-CE1 4.41Å; I287-F316 HydrophobicContact CB-CE2 3.65Å; I287-F316 HydrophobicContact CB-CZ 3.78Å; I287-F316 HydrophobicContact CG2-CE1 4.46Å; I287-F316 HydrophobicContact CG2-CE2 3.66Å; I287-F316 HydrophobicContact CG2-CZ 3.55Å; I287-F316 PolarHBondContact O-N 3.25Å; I287-R380 PolarHBondContact O-NH1 3.43Å |
| 288 | G | 97.4 | Very high | 95.9 | Very high | 18 Ų | 18 | 14.5 Ų | 14.5 | 19% | 0.186 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 39.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D284 Y285 L286 | D284-G288 CarbonylContact O-C 3.58Å; D284-G288 VanDerWaalsContact O-CA 3.31Å; D284-G288 WeakPolarHBondContact O-CA 3.18Å; D284-G288 PolarHBondContact O-N 3.26Å; Y285-G288 PolarHBondContact O-N 3.44Å; L286-G288 VanDerWaalsContact C-N 3.34Å |
| 289 | N | 97.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | trans | -90.1 | 99.8 | 174.7 | -177.5 | 18.5 | 0 | 0 | 0 | 110.8 | D284 I287 D291 R292 | D284-N289 HydrophobicContact CB-CB 4.08Å; D284-N289 PolarHBondContact O-N 3.07Å; D284-N289 WeakPolarHBondContact OD1-CB 3.29Å; D284-N289 PolarHBondContact OD1-ND2 3.49Å; I287-N289 HydrophobicContact CD1-CB 3.78Å; I287-N289 HydrophobicContact CG1-CB 3.77Å; N289-D291 PolarHBondContact OD1-N 3.13Å; N289-R292 PolarHBondContact ND2-NH2 3.27Å | ||
| 290 | A | 96.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 7% | 0.074 | 11% | 0.112 | C | C | . | . | trans | -93.4 | 7.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | P137 R242 E323 I326 | P137-A290 HydrophobicContact CB-CB 3.39Å; R242-A290 PolarHBondContact NE-O 3.39Å; R242-A290 VanDerWaalsContact NE-O 3.09Å; A290-E323 HydrophobicContact CB-CG 4.36Å; A290-I326 HydrophobicContact CB-CD1 4.07Å; A290-I326 HydrophobicContact CB-CG1 4.1Å | ||
| 291 | D | 95.4 | Very high | 92.4 | Very high | 30 Ų | 30 | 31 Ų | 31 | 16% | 0.16 | 16% | 0.158 | C | C | . | . | trans | -108.4 | 14 | -170.4 | -158.9 | 29.1 | 0 | 0 | 0 | 113.9 | Y244 N289 H293 K314 | Y244-D291 WeakPolarHBondContact CE1-OD1 3.4Å; Y244-D291 PolarHBondContact OH-O 3.07Å; Y244-D291 PolarHBondContact OH-OD1 3.27Å; N289-D291 PolarHBondContact OD1-N 3.13Å; D291-H293 VanDerWaalsContact C-N 3.3Å; D291-H293 PolarHBondContact O-N 3.13Å; D291-H293 PolarHBondContact O-ND1 3.2Å; D291-H293 IonicContact OD1-ND1 3.37Å; D291-K314 HydrophobicContact CB-CB 3.88Å; D291-K314 HydrophobicContact CB-CG 4.13Å | ||
| 292 | R | 95.7 | Very high | 90.7 | Very high | 23 Ų | 23 | 33.9 Ų | 33.9 | 9% | 0.087 | 19% | 0.189 | C | C | . | . | trans | -78.3 | 74.5 | 177.2 | -164.3 | 175.9 | -59 | -77.1 | -0.9 | 112.5 | H238 D284 N289 H294 L310 N312 | H238-R292 WeakPolarHBondContact CB-O 3.34Å; D284-R292 VanDerWaalsContact CG-NE 3.33Å; D284-R292 IonicContact OD1-CZ 3.59Å; D284-R292 IonicContact OD1-NE 2.92Å; D284-R292 PolarHBondContact OD1-NE 2.96Å; D284-R292 IonicContact OD1-NH2 2.74Å; D284-R292 PolarHBondContact OD1-NH2 3.26Å; D284-R292 VanDerWaalsContact OD2-CD 3.26Å; D284-R292 WeakPolarHBondContact OD2-CD 3.47Å; D284-R292 IonicContact OD2-CZ 3.66Å; D284-R292 IonicContact OD2-NE 2.75Å; D284-R292 PolarHBondContact OD2-NE 3.25Å; D284-R292 IonicContact OD2-NH2 2.7Å; N289-R292 PolarHBondContact ND2-NH2 3.27Å; R292-H294 WeakPolarHBondContact CG-O 3.4Å; R292-L310 PolarHBondContact NH1-O 2.91Å; R292-N312 PolarHBondContact NH2-OD1 2.96Å | ||
| 293 | H | 93.8 | Very high | 89.2 | Confident | 70 Ų | 70 | 36.1 Ų | 36.1 | 32% | 0.324 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -87.6 | -19.8 | 179.5 | 55.5 | -73.7 | 0 | 0 | 0 | 114.2 | H238 Y244 D291 | H238-H293 WeakPolarHBondContact CB-O 3.09Å; H238-H293 PolarHBondContact N-O 3.37Å; Y244-H293 HydrophobicContact CE2-CB 3.58Å; Y244-H293 AromaticContact CE2-CG 3.93Å; Y244-H293 AromaticContact CZ-CG 3.96Å; Y244-H293 AromaticContact CZ-ND1 3.96Å; Y244-H293 VanDerWaalsContact OH-CB 3.28Å; Y244-H293 WeakPolarHBondContact OH-CB 3.46Å; Y244-H293 PolarHBondContact OH-ND1 3Å; D291-H293 VanDerWaalsContact C-N 3.3Å; D291-H293 PolarHBondContact O-N 3.13Å; D291-H293 PolarHBondContact O-ND1 3.2Å; D291-H293 IonicContact OD1-ND1 3.37Å |
| 294 | H | 94.4 | Very high | 88 | Confident | 68 Ų | 68 | 37.9 Ų | 37.9 | 32% | 0.315 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 158.7 | 165.2 | -64.3 | 86.7 | 0 | 0 | 0 | 108.7 | K235 H236 R292 | K235-H294 HydrophobicContact CD-CB 4.46Å; K235-H294 VanDerWaalsContact CE-CB 3.49Å; K235-H294 WeakPolarHBondContact CE-CD2 3.37Å; K235-H294 HydrophobicContact CG-CB 4.14Å; H236-H294 WeakPolarHBondContact O-CA 3.37Å; H236-H294 VanDerWaalsContact O-CB 3.28Å; H236-H294 WeakPolarHBondContact O-CB 3.44Å; H236-H294 PolarHBondContact O-CD2 2.57Å; R292-H294 WeakPolarHBondContact CG-O 3.4Å |
| 295 | Y | 94.3 | Very high | 87.2 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 162.2 | 165.8 | 66.8 | -99.4 | 0 | 0 | 0 | 109 | H236 H238 Y268 R273 V277 L307 | H236-Y295 HydrophobicContact CB-CD1 4.3Å; H236-Y295 HydrophobicContact CB-CD2 3.91Å; H236-Y295 HydrophobicContact CB-CE1 3.84Å; H236-Y295 HydrophobicContact CB-CE2 3.33Å; H236-Y295 HydrophobicContact CB-CG 4.35Å; H236-Y295 AromaticContact CD2-CE2 3.5Å; H236-Y295 VanDerWaalsContact CD2-CE2 3.5Å; H236-Y295 WeakPolarHBondContact CD2-CE2 3.39Å; H236-Y295 AromaticContact CG-CE2 3.52Å; H236-Y295 AromaticContact CG-CZ 3.83Å; H236-Y295 PolarHBondContact N-O 2.7Å; H236-Y295 PolarHBondContact O-N 3Å; H238-Y295 HydrophobicContact CB-CD1 4.34Å; H238-Y295 AromaticContact CD2-CD1 3.81Å; Y268-Y295 HydrophobicContact CE1-CE1 4.45Å; Y268-Y295 WeakPolarHBondContact CE1-OH 3.4Å; Y268-Y295 WeakPolarHBondContact OH-CE1 3.35Å; Y268-Y295 PolarHBondContact OH-OH 3.42Å; R273-Y295 VanDerWaalsContact NH1-CE2 3.26Å; V277-Y295 HydrophobicContact CG2-CE1 4.31Å; Y295-L307 HydrophobicContact CD1-CD1 3.97Å; Y295-L307 HydrophobicContact CD2-CB 4.49Å; Y295-L307 HydrophobicContact CD2-CD1 3.71Å; Y295-L307 HydrophobicContact CD2-CG 3.63Å; Y295-L307 HydrophobicContact CE2-CD1 4.34Å; Y295-L307 HydrophobicContact CE2-CG 4.47Å; Y295-L307 HydrophobicContact CG-CD1 3.5Å; Y295-L307 HydrophobicContact CG-CG 3.77Å |
| 296 | E | 93.4 | Very high | 86.7 | Confident | 50 Ų | 50 | 37 Ų | 37 | 23% | 0.234 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 150.1 | 178.3 | -60.1 | -172.5 | 174.4 | 0 | 0 | 109.9 | L233 Q234 K235 I308 L310 | L233-E296 HydrophobicContact CB-CB 4.5Å; L233-E296 VanDerWaalsContact CD1-OE2 3.3Å; L233-E296 WeakPolarHBondContact CD1-OE2 3.44Å; Q234-E296 CarbonylContact O-C 3.5Å; Q234-E296 VanDerWaalsContact O-CA 3.24Å; Q234-E296 WeakPolarHBondContact O-CA 3.41Å; K235-E296 HydrophobicContact CB-CG 4.46Å; E296-I308 PolarHBondContact O-N 2.83Å; E296-L310 HydrophobicContact CB-CD1 4.13Å; E296-L310 HydrophobicContact CG-CD1 4.41Å; E296-L310 WeakPolarHBondContact OE2-CD1 3.35Å |
| 297 | S | 92.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 160.7 | 169.8 | 62.5 | 0 | 0 | 0 | 0 | 109.2 | L233 Q234 H236 R273 M306 | L233-S297 CarbonylContact C-O 3.52Å; Q234-S297 PolarHBondContact N-O 3.35Å; Q234-S297 PolarHBondContact O-N 2.87Å; H236-S297 PolarHBondContact CD2-OG 3.35Å; H236-S297 PolarHBondContact NE2-OG 2.81Å; R273-S297 PolarHBondContact NH1-OG 3.16Å; R273-S297 PolarHBondContact NH2-OG 3.43Å; S297-M306 WeakPolarHBondContact CA-O 3.2Å; S297-M306 WeakPolarHBondContact CB-O 3.28Å |
| 298 | F | 90.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 141.4 | 168.1 | -59.7 | -51.2 | 0 | 0 | 0 | 110.4 | V71 G72 L227 W231 L233 D300 S305 M306 I308 | V71-F298 HydrophobicContact CG1-CE1 4.27Å; V71-F298 HydrophobicContact CG1-CE2 3.95Å; V71-F298 HydrophobicContact CG1-CZ 3.49Å; V71-F298 VanDerWaalsContact CG1-CZ 3.49Å; G72-F298 VanDerWaalsContact O-CE2 3.29Å; G72-F298 WeakPolarHBondContact O-CE2 3.3Å; L227-F298 HydrophobicContact CD1-CE1 4Å; L227-F298 HydrophobicContact CD1-CZ 4.28Å; W231-F298 HydrophobicContact CB-CD1 3.61Å; W231-F298 HydrophobicContact CB-CE1 3.58Å; W231-F298 HydrophobicContact CB-CG 4.35Å; W231-F298 HydrophobicContact CB-CZ 4.3Å; W231-F298 HydrophobicContact CD2-CG 4.47Å; W231-F298 HydrophobicContact CE3-CB 3.99Å; W231-F298 HydrophobicContact CE3-CD1 4.3Å; W231-F298 HydrophobicContact CE3-CD2 4.09Å; W231-F298 AromaticContact CE3-CG 3.87Å; W231-F298 HydrophobicContact CE3-CG 3.87Å; W231-F298 HydrophobicContact CG-CD1 4.35Å; W231-F298 HydrophobicContact CG-CE1 4.27Å; L233-F298 HydrophobicContact CD2-CD1 3.76Å; L233-F298 HydrophobicContact CD2-CE1 3.8Å; F298-D300 PolarHBondContact O-N 3.38Å; F298-S305 WeakPolarHBondContact O-CB 3.28Å; F298-S305 PolarHBondContact O-OG 3.17Å; F298-M306 HydrophobicContact CE2-CE 4.1Å; F298-I308 HydrophobicContact CD2-CD1 3.91Å; F298-I308 HydrophobicContact CE1-CD1 4.12Å; F298-I308 HydrophobicContact CE1-CG1 4.32Å; F298-I308 HydrophobicContact CE2-CD1 3.42Å; F298-I308 VanDerWaalsContact CE2-CD1 3.42Å; F298-I308 HydrophobicContact CE2-CG1 4.4Å; F298-I308 HydrophobicContact CG-CD1 4.45Å; F298-I308 HydrophobicContact CZ-CD1 3.55Å; F298-I308 HydrophobicContact CZ-CG1 4.21Å |
| 299 | Q | 86.4 | Confident | 86.1 | Confident | 105 Ų | 105 | 36.1 Ų | 36.1 | 49% | 0.491 | 21% | 0.214 | S | C | . | . | trans | -66.5 | 118.6 | 165.5 | -65.7 | 175.8 | 21.6 | 0 | 0 | 106.9 | P232 L233 Q234 | P232-Q299 HydrophobicContact CG-CB 4.16Å; P232-Q299 HydrophobicContact CG-CG 4.45Å; P232-Q299 PolarHBondContact O-N 3.25Å; L233-Q299 PolarHBondContact O-NE2 2.8Å; L233-Q299 VanDerWaalsContact O-NE2 3.1Å; Q234-Q299 HydrophobicContact CB-CG 3.75Å; Q234-Q299 HydrophobicContact CG-CG 4.48Å | ||
| 300 | D | 70.8 | Confident | 85.9 | Confident | 61 Ų | 61 | 37.5 Ų | 37.5 | 33% | 0.326 | 22% | 0.221 | S | C | . | . | trans | -139.3 | 132.9 | -177.9 | 160.6 | 24.2 | 0 | 0 | 0 | 107 | F298 G302 G303 A304 S305 | F298-D300 PolarHBondContact O-N 3.38Å; D300-G302 PolarHBondContact O-N 3.02Å; D300-G302 PolarHBondContact OD1-N 3.06Å; D300-G303 PolarHBondContact OD2-N 2.86Å; D300-A304 PolarHBondContact OD2-N 2.82Å; D300-S305 PolarHBondContact OD2-N 3.45Å | ||
| 301 | D | 57.9 | Low | 85.5 | Confident | 182 Ų | 182 | 41.6 Ų | 41.6 | 97% | 0.973 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -12.8 | -179.2 | -65.6 | -32.7 | 0 | 0 | 0 | 113.1 | ||
| 302 | G | 62.8 | Low | 85.6 | Confident | 63 Ų | 63 | 40.3 Ų | 40.3 | 65% | 0.649 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -0.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | D300 A304 | D300-G302 PolarHBondContact O-N 3.02Å; D300-G302 PolarHBondContact OD1-N 3.06Å; G302-A304 PolarHBondContact O-N 3.27Å; G302-A304 VanDerWaalsContact O-N 3.13Å |
| 303 | G | 65.3 | Low | 85.6 | Confident | 48 Ų | 48 | 39.2 Ų | 39.2 | 50% | 0.495 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 65.4 | 12.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | D300 | D300-G303 PolarHBondContact OD2-N 2.86Š|
| 304 | A | 72 | Confident | 85.7 | Confident | 37 Ų | 37 | 36.9 Ų | 36.9 | 31% | 0.306 | 22% | 0.22 | S | C | . | . | trans | -90.3 | -11.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R74 D300 G302 M306 | R74-A304 WeakPolarHBondContact CD-O 3.36Å; R74-A304 PolarHBondContact NH1-O 3.37Å; D300-A304 PolarHBondContact OD2-N 2.82Å; G302-A304 PolarHBondContact O-N 3.27Å; G302-A304 VanDerWaalsContact O-N 3.13Å; A304-M306 PolarHBondContact O-N 2.91Å | ||
| 305 | S | 82.4 | Confident | 85.8 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -52.6 | 137.8 | -179.7 | 66 | 0 | 0 | 0 | 0 | 113 | R273 F298 D300 | R273-S305 PolarHBondContact NH2-O 3.09Å; R273-S305 PolarHBondContact NH2-OG 2.74Å; F298-S305 WeakPolarHBondContact O-CB 3.28Å; F298-S305 PolarHBondContact O-OG 3.17Å; D300-S305 PolarHBondContact OD2-N 3.45Å |
| 306 | M | 87.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 159.8 | 178.2 | 70.4 | 174.9 | 173.3 | 0 | 0 | 112.5 | P73 R74 E75 V76 R163 S297 F298 A304 I308 | P73-M306 WeakPolarHBondContact O-CG 3.45Å; P73-M306 PolarHBondContact O-N 2.76Å; R74-M306 VanDerWaalsContact NH1-CA 3.3Å; E75-M306 VanDerWaalsContact CA-CE 3.41Å; V76-M306 HydrophobicContact CG2-CE 3.63Å; R163-M306 HydrophobicContact CB-CE 4.43Å; R163-M306 HydrophobicContact CB-SD 4.06Å; R163-M306 HydrophobicContact CG-CE 4.46Å; R163-M306 HydrophobicContact CG-SD 3.56Å; R163-M306 VanDerWaalsContact CG-SD 3.56Å; S297-M306 WeakPolarHBondContact CA-O 3.2Å; S297-M306 WeakPolarHBondContact CB-O 3.28Å; F298-M306 HydrophobicContact CE2-CE 4.1Å; A304-M306 PolarHBondContact O-N 2.91Å; M306-I308 HydrophobicContact CE-CD1 3.56Å; M306-I308 HydrophobicContact CG-CD1 3.79Å; M306-I308 HydrophobicContact SD-CD1 4.39Å |
| 307 | L | 91.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 123.1 | 166.8 | -169.2 | 162.6 | 0 | 0 | 0 | 109.7 | R163 D276 V277 T280 Y295 L309 | R163-L307 WeakPolarHBondContact CB-O 3.42Å; R163-L307 WeakPolarHBondContact CD-O 3.22Å; D276-L307 HydrophobicContact CB-CB 4.15Å; V277-L307 HydrophobicContact CG2-CD1 4.13Å; T280-L307 HydrophobicContact CG2-CD1 4.36Å; T280-L307 HydrophobicContact CG2-CD2 3.99Å; T280-L307 WeakPolarHBondContact OG1-CD2 3.43Å; Y295-L307 HydrophobicContact CD1-CD1 3.97Å; Y295-L307 HydrophobicContact CD2-CB 4.49Å; Y295-L307 HydrophobicContact CD2-CD1 3.71Å; Y295-L307 HydrophobicContact CD2-CG 3.63Å; Y295-L307 HydrophobicContact CE2-CD1 4.34Å; Y295-L307 HydrophobicContact CE2-CG 4.47Å; Y295-L307 HydrophobicContact CG-CD1 3.5Å; Y295-L307 HydrophobicContact CG-CG 3.77Å; L307-L309 HydrophobicContact CD2-CD2 4.14Å |
| 308 | I | 93.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.3 | 177.9 | -47.1 | -58 | 0 | 0 | 0 | 110.2 | R163 L227 L233 E296 F298 M306 L310 | R163-I308 WeakPolarHBondContact O-CA 3.46Å; R163-I308 WeakPolarHBondContact O-CG2 3.37Å; L227-I308 HydrophobicContact CD1-CG2 4.05Å; L233-I308 HydrophobicContact CD2-CG1 4.15Å; E296-I308 PolarHBondContact O-N 2.83Å; F298-I308 HydrophobicContact CD2-CD1 3.91Å; F298-I308 HydrophobicContact CE1-CD1 4.12Å; F298-I308 HydrophobicContact CE1-CG1 4.32Å; F298-I308 HydrophobicContact CE2-CD1 3.42Å; F298-I308 VanDerWaalsContact CE2-CD1 3.42Å; F298-I308 HydrophobicContact CE2-CG1 4.4Å; F298-I308 HydrophobicContact CG-CD1 4.45Å; F298-I308 HydrophobicContact CZ-CD1 3.55Å; F298-I308 HydrophobicContact CZ-CG1 4.21Å; M306-I308 HydrophobicContact CE-CD1 3.56Å; M306-I308 HydrophobicContact CG-CD1 3.79Å; M306-I308 HydrophobicContact SD-CD1 4.39Å; I308-L310 VanDerWaalsContact C-N 3.28Å; I308-L310 HydrophobicContact CB-CD1 4.48Å; I308-L310 HydrophobicContact CB-CG 4.21Å; I308-L310 HydrophobicContact CG2-CD1 4.15Å; I308-L310 HydrophobicContact CG2-CD2 3.79Å; I308-L310 HydrophobicContact CG2-CG 3.64Å; I308-L310 PolarHBondContact O-N 2.55Å |
| 309 | L | 93.9 | Very high | 86.6 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | trans | -82 | 72.4 | -179.7 | -65.2 | 176.1 | 0 | 0 | 0 | 110.8 | D154 R163 A164 T280 F283 L307 N312 | D154-L309 HydrophobicContact CB-CD1 4.37Å; D154-L309 WeakPolarHBondContact OD1-CD1 3.49Å; R163-L309 HydrophobicContact CB-CB 4.46Å; R163-L309 HydrophobicContact CB-CD1 4.08Å; R163-L309 HydrophobicContact CB-CG 3.91Å; R163-L309 PolarHBondContact O-N 3.48Å; A164-L309 HydrophobicContact CB-CB 4.1Å; T280-L309 HydrophobicContact CG2-CD2 3.61Å; F283-L309 HydrophobicContact CD1-CD1 3.9Å; F283-L309 HydrophobicContact CD1-CD2 3.96Å; F283-L309 HydrophobicContact CD1-CG 4.5Å; F283-L309 HydrophobicContact CD2-CD1 4.17Å; F283-L309 HydrophobicContact CE1-CD1 3.9Å; F283-L309 HydrophobicContact CE1-CD2 4.29Å; F283-L309 HydrophobicContact CE1-CG 4.48Å; F283-L309 HydrophobicContact CE2-CD1 4.18Å; F283-L309 HydrophobicContact CG-CD1 4.02Å; F283-L309 HydrophobicContact CZ-CD1 4.03Å; L307-L309 HydrophobicContact CD2-CD2 4.14Å; L309-N312 PolarHBondContact O-ND2 2.8Å | ||
| 310 | L | 92.4 | Very high | 87.1 | Confident | 33 Ų | 33 | 34 Ų | 34 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | trans | -91.7 | 157.8 | 174.3 | -59.4 | 176.3 | 0 | 0 | 0 | 112 | P165 L233 R292 E296 I308 | P165-L310 HydrophobicContact CG-CD2 3.64Å; L233-L310 HydrophobicContact CD1-CD1 3.81Å; R292-L310 PolarHBondContact NH1-O 2.91Å; E296-L310 HydrophobicContact CB-CD1 4.13Å; E296-L310 HydrophobicContact CG-CD1 4.41Å; E296-L310 WeakPolarHBondContact OE2-CD1 3.35Å; I308-L310 VanDerWaalsContact C-N 3.28Å; I308-L310 HydrophobicContact CB-CD1 4.48Å; I308-L310 HydrophobicContact CB-CG 4.21Å; I308-L310 HydrophobicContact CG2-CD1 4.15Å; I308-L310 HydrophobicContact CG2-CD2 3.79Å; I308-L310 HydrophobicContact CG2-CG 3.64Å; I308-L310 PolarHBondContact O-N 2.55Å | ||
| 311 | D | 89.4 | Confident | 88.3 | Confident | 96 Ų | 96 | 35.3 Ų | 35.3 | 51% | 0.513 | 23% | 0.23 | S | C | . | . | trans | 52.1 | 63 | 174.9 | -75.9 | -40.1 | 0 | 0 | 0 | 113.8 | K123 | K123-D311 IonicContact NZ-OD1 3.64Å; K123-D311 PolarHBondContact NZ-OD1 2.82Å | ||
| 312 | N | 95.9 | Very high | 90.2 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | trans | -92.1 | 4.2 | -179.8 | -51.2 | -65.9 | 0 | 0 | 0 | 112.9 | E147 A150 I287 R292 L309 K314 S315 | E147-N312 PolarHBondContact OE1-N 2.86Å; E147-N312 VanDerWaalsContact OE1-N 3.13Å; E147-N312 WeakPolarHBondContact OE2-CB 3.33Å; E147-N312 PolarHBondContact OE2-N 3.25Å; A150-N312 HydrophobicContact CB-CB 3.37Å; I287-N312 HydrophobicContact CD1-CB 4.26Å; R292-N312 PolarHBondContact NH2-OD1 2.96Å; L309-N312 PolarHBondContact O-ND2 2.8Å; N312-K314 PolarHBondContact O-N 2.91Å; N312-K314 VanDerWaalsContact O-N 3.09Å; N312-S315 VanDerWaalsContact O-CB 3.25Å; N312-S315 WeakPolarHBondContact O-CB 3.08Å; N312-S315 PolarHBondContact O-N 2.71Å; N312-S315 VanDerWaalsContact O-N 3.08Å; N312-S315 PolarHBondContact O-OG 3.44Å | ||
| 313 | A | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | K123 D142 R143 E147 S315 | K123-A313 HydrophobicContact CD-CB 4.01Å; D142-A313 HydrophobicContact CB-CB 3.51Å; D142-A313 WeakPolarHBondContact OD2-CB 3.44Å; R143-A313 PolarHBondContact N-O 3.18Å; E147-A313 HydrophobicContact CG-CB 3.74Å; E147-A313 VanDerWaalsContact OE1-CB 3.25Å; E147-A313 WeakPolarHBondContact OE1-CB 3.43Å; E147-A313 PolarHBondContact OE1-N 2.92Å; A313-S315 PolarHBondContact O-N 2.98Å |
| 314 | K | 95.9 | Very high | 93.3 | Very high | 21 Ų | 21 | 32.9 Ų | 32.9 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 16.5 | 174.9 | -69.4 | -74.2 | -162.1 | 155.2 | 0 | 113.5 | Y138 G140 D142 R143 D291 N312 | Y138-K314 PolarHBondContact O-NZ 3.27Å; G140-K314 PolarHBondContact O-NZ 3.19Å; D142-K314 WeakPolarHBondContact OD1-CE 3.46Å; R143-K314 PolarHBondContact NH2-O 2.77Å; D291-K314 HydrophobicContact CB-CB 3.88Å; D291-K314 HydrophobicContact CB-CG 4.13Å; N312-K314 PolarHBondContact O-N 2.91Å; N312-K314 VanDerWaalsContact O-N 3.09Å |
| 315 | S | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -103 | 174.5 | 175.4 | 68.2 | 0 | 0 | 0 | 0 | 113.2 | R143 A146 I287 N312 A313 G317 | R143-S315 VanDerWaalsContact CZ-O 3.22Å; R143-S315 PolarHBondContact NE-O 2.9Å; R143-S315 PolarHBondContact NH2-O 3.08Å; A146-S315 WeakPolarHBondContact CB-O 3.38Å; A146-S315 WeakPolarHBondContact CB-OG 3.3Å; I287-S315 VanDerWaalsContact CD1-CB 3.48Å; I287-S315 VanDerWaalsContact CG1-CB 3.43Å; I287-S315 WeakPolarHBondContact O-CB 3.26Å; N312-S315 VanDerWaalsContact O-CB 3.25Å; N312-S315 WeakPolarHBondContact O-CB 3.08Å; N312-S315 PolarHBondContact O-N 2.71Å; N312-S315 VanDerWaalsContact O-N 3.08Å; N312-S315 PolarHBondContact O-OG 3.44Å; A313-S315 PolarHBondContact O-N 2.98Å; S315-G317 PolarHBondContact O-N 3.34Å | ||
| 316 | F | 97.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 51.7 | 38.3 | -179.3 | -58 | -79.5 | 0 | 0 | 0 | 113.9 | A146 A149 I287 L369 H373 L377 | A146-F316 HydrophobicContact CB-CB 4.36Å; A146-F316 HydrophobicContact CB-CD2 3.93Å; A149-F316 HydrophobicContact CB-CD2 4.12Å; A149-F316 HydrophobicContact CB-CE2 3.58Å; A149-F316 HydrophobicContact CB-CZ 3.98Å; I287-F316 HydrophobicContact CB-CD2 4.21Å; I287-F316 HydrophobicContact CB-CE1 4.41Å; I287-F316 HydrophobicContact CB-CE2 3.65Å; I287-F316 HydrophobicContact CB-CZ 3.78Å; I287-F316 HydrophobicContact CG2-CE1 4.46Å; I287-F316 HydrophobicContact CG2-CE2 3.66Å; I287-F316 HydrophobicContact CG2-CZ 3.55Å; I287-F316 PolarHBondContact O-N 3.25Å; F316-L369 HydrophobicContact CB-CD2 4.15Å; F316-L369 HydrophobicContact CD1-CD1 4.1Å; F316-L369 HydrophobicContact CD1-CD2 3.8Å; F316-L369 HydrophobicContact CD2-CD2 4.15Å; F316-L369 HydrophobicContact CE1-CD1 3.68Å; F316-L369 HydrophobicContact CE1-CD2 4.18Å; F316-L369 HydrophobicContact CG-CD2 3.77Å; F316-L369 HydrophobicContact CZ-CD1 3.99Å; F316-H373 VanDerWaalsContact C-CE1 3.45Å; F316-H373 HydrophobicContact CD1-CB 4.17Å; F316-H373 AromaticContact CD1-ND1 3.92Å; F316-H373 PolarHBondContact O-CE1 3.48Å; F316-H373 PolarHBondContact O-NE2 3.2Å; F316-L377 HydrophobicContact CE1-CD1 4.4Å; F316-L377 HydrophobicContact CE1-CD2 4.04Å; F316-L377 HydrophobicContact CE1-CG 4.31Å; F316-L377 HydrophobicContact CZ-CD2 4.38Å |
| 317 | G | 96.9 | Very high | 95.6 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -82.4 | -36.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V133 S315 | V133-G317 PolarHBondContact N-O 2.8Å; S315-G317 PolarHBondContact O-N 3.34Å |
| 318 | N | 97.4 | Very high | 95.9 | Very high | 37 Ų | 37 | 33.1 Ų | 33.1 | 20% | 0.198 | 18% | 0.175 | C | C | . | . | trans | -139.4 | 117.9 | -177.2 | -168.4 | -37.2 | 0 | 0 | 0 | 110.1 | V132 V133 S320 L321 R380 | V132-N318 HydrophobicContact CG1-CB 4.16Å; V132-N318 WeakPolarHBondContact CG1-ND2 3.41Å; V133-N318 PolarHBondContact O-ND2 2.76Å; N318-S320 VanDerWaalsContact C-N 3.33Å; N318-S320 WeakPolarHBondContact OD1-CA 3.46Å; N318-S320 WeakPolarHBondContact OD1-CB 3.32Å; N318-S320 PolarHBondContact OD1-N 3.48Å; N318-L321 HydrophobicContact CB-CB 4.25Å; N318-L321 PolarHBondContact OD1-N 2.79Å; N318-R380 PolarHBondContact O-NH2 3.3Å | ||
| 319 | P | 97.1 | Very high | 96.2 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 7% | 0.065 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -80.6 | -13.1 | 179.2 | 31.1 | -33 | 0 | 0 | 0 | 113.4 | P372 A376 R379 | P319-P372 HydrophobicContact CB-CB 3.67Å; P319-P372 HydrophobicContact CG-CB 3.82Å; P319-A376 HydrophobicContact CB-CB 4.45Å; P319-A376 WeakPolarHBondContact O-CB 3.32Å; P319-R379 PolarHBondContact O-NH1 3.22Å; P319-R379 PolarHBondContact O-NH2 2.88Å |
| 320 | S | 96.7 | Very high | 96.3 | Very high | 104 Ų | 104 | 33.2 Ų | 33.2 | 73% | 0.727 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -99.3 | -11.3 | -175.5 | -58 | 0 | 0 | 0 | 0 | 113.4 | N318 | N318-S320 VanDerWaalsContact C-N 3.33Å; N318-S320 WeakPolarHBondContact OD1-CA 3.46Å; N318-S320 WeakPolarHBondContact OD1-CB 3.32Å; N318-S320 PolarHBondContact OD1-N 3.48Å |
| 321 | L | 95.7 | Very high | 96.6 | Very high | 90 Ų | 90 | 35.2 Ų | 35.2 | 47% | 0.471 | 18% | 0.182 | S | C | . | . | trans | -111.9 | 131.3 | 179.2 | -176.9 | 66.7 | 0 | 0 | 0 | 110.8 | N318 R380 | N318-L321 HydrophobicContact CB-CB 4.25Å; N318-L321 PolarHBondContact OD1-N 2.79Å; L321-R380 PolarHBondContact O-NH2 2.95Å | ||
| 322 | D | 96.8 | Very high | 96.9 | Very high | 43 Ų | 43 | 32 Ų | 32 | 23% | 0.23 | 16% | 0.164 | C | C | . | . | trans | -114.4 | 100.3 | 174.1 | -60.4 | -27.4 | 0 | 0 | 0 | 109.2 | Y285 R324 R379 R380 | Y285-D322 HydrophobicContact CE2-CB 4.38Å; D322-R324 PolarHBondContact O-N 3.18Å; D322-R379 IonicContact OD1-CZ 3.33Å; D322-R379 IonicContact OD1-NE 2.77Å; D322-R379 IonicContact OD1-NH2 3.38Å; D322-R379 PolarHBondContact OD1-NH2 2.9Å; D322-R379 IonicContact OD2-CZ 2.82Å; D322-R379 IonicContact OD2-NE 3.23Å; D322-R379 PolarHBondContact OD2-NE 3.45Å; D322-R379 IonicContact OD2-NH2 2.94Å; D322-R379 PolarHBondContact OD2-NH2 3.06Å; D322-R380 HydrophobicContact CB-CG 4.3Å; D322-R380 VanDerWaalsContact OD1-CG 3.23Å; D322-R380 WeakPolarHBondContact OD1-CG 3.34Å; D322-R380 IonicContact OD1-CZ 2.95Å; D322-R380 IonicContact OD1-NE 2.97Å; D322-R380 PolarHBondContact OD1-NE 3.44Å; D322-R380 IonicContact OD1-NH2 3.8Å | ||
| 323 | E | 96.8 | Very high | 97 | Very high | 48 Ų | 48 | 31.9 Ų | 31.9 | 22% | 0.224 | 16% | 0.163 | C | C | . | . | trans | -75 | 89.9 | -173.4 | -178.5 | 51.2 | -108.6 | 0 | 0 | 111.6 | P137 Y285 A290 S325 I326 | P137-E323 HydrophobicContact CB-CG 4.25Å; P137-E323 HydrophobicContact CG-CG 4.35Å; P137-E323 WeakPolarHBondContact CG-OE2 3.41Å; Y285-E323 WeakPolarHBondContact CD2-O 3.28Å; A290-E323 HydrophobicContact CB-CG 4.36Å; E323-S325 VanDerWaalsContact CD-OG 3.23Å; E323-S325 WeakPolarHBondContact CG-OG 3.47Å; E323-S325 PolarHBondContact O-N 2.94Å; E323-S325 VanDerWaalsContact O-N 3.15Å; E323-S325 VanDerWaalsContact OE1-CB 3.32Å; E323-S325 WeakPolarHBondContact OE1-CB 3.33Å; E323-S325 PolarHBondContact OE1-N 3.37Å; E323-S325 PolarHBondContact OE1-OG 2.99Å; E323-I326 HydrophobicContact CB-CD1 3.83Å; E323-I326 HydrophobicContact CB-CG1 4.19Å; E323-I326 HydrophobicContact CG-CD1 4.07Å; E323-I326 HydrophobicContact CG-CG1 3.93Å; E323-I326 PolarHBondContact O-N 3.41Å; E323-I326 VanDerWaalsContact O-N 3.15Å | ||
| 324 | R | 96.2 | Very high | 97 | Very high | 150 Ų | 150 | 32.4 Ų | 32.4 | 57% | 0.566 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -56.7 | -30.6 | -176.4 | -175.6 | 177.9 | 179.4 | -168.2 | 0.3 | 113.1 | D322 I326 L327 | D322-R324 PolarHBondContact O-N 3.18Å; R324-I326 PolarHBondContact O-N 2.86Å; R324-I326 VanDerWaalsContact O-N 3.14Å; R324-L327 PolarHBondContact O-N 2.93Å |
| 325 | S | 96.4 | Very high | 97 | Very high | 26 Ų | 26 | 32.8 Ų | 32.8 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -63.5 | -19.3 | -178.4 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | R242 E323 L327 A328 | R242-S325 PolarHBondContact NH2-OG 2.88Å; E323-S325 VanDerWaalsContact CD-OG 3.23Å; E323-S325 WeakPolarHBondContact CG-OG 3.47Å; E323-S325 PolarHBondContact O-N 2.94Å; E323-S325 VanDerWaalsContact O-N 3.15Å; E323-S325 VanDerWaalsContact OE1-CB 3.32Å; E323-S325 WeakPolarHBondContact OE1-CB 3.33Å; E323-S325 PolarHBondContact OE1-N 3.37Å; E323-S325 PolarHBondContact OE1-OG 2.99Å; S325-L327 PolarHBondContact O-N 2.96Å; S325-A328 VanDerWaalsContact O-CB 3.25Å; S325-A328 WeakPolarHBondContact O-CB 3.44Å; S325-A328 PolarHBondContact O-N 3.33Å |
| 326 | I | 98.1 | Very high | 96.9 | Very high | 17 Ų | 17 | 32.8 Ų | 32.8 | 9% | 0.087 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -63.2 | -33.1 | 171.8 | -58.8 | 166.6 | 0 | 0 | 0 | 111.1 | D284 Y285 A290 E323 R324 A328 P329 | D284-I326 HydrophobicContact CB-CG2 3.61Å; Y285-I326 HydrophobicContact CD2-CB 4.28Å; A290-I326 HydrophobicContact CB-CD1 4.07Å; A290-I326 HydrophobicContact CB-CG1 4.1Å; E323-I326 HydrophobicContact CB-CD1 3.83Å; E323-I326 HydrophobicContact CB-CG1 4.19Å; E323-I326 HydrophobicContact CG-CD1 4.07Å; E323-I326 HydrophobicContact CG-CG1 3.93Å; E323-I326 PolarHBondContact O-N 3.41Å; E323-I326 VanDerWaalsContact O-N 3.15Å; R324-I326 PolarHBondContact O-N 2.86Å; R324-I326 VanDerWaalsContact O-N 3.14Å; I326-A328 PolarHBondContact O-N 2.88Å; I326-P329 VanDerWaalsContact O-CD 3.31Å; I326-P329 WeakPolarHBondContact O-CD 3.04Å |
| 327 | L | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -78.3 | 7.5 | 177.8 | -69.4 | -179.7 | 0 | 0 | 0 | 113.9 | V282 Y285 R324 S325 P329 L330 Y331 V384 | V282-L327 HydrophobicContact CG2-CD2 4.45Å; Y285-L327 HydrophobicContact CD1-CD1 3.65Å; Y285-L327 HydrophobicContact CD1-CD2 3.94Å; Y285-L327 HydrophobicContact CD1-CG 3.83Å; Y285-L327 HydrophobicContact CD2-CD1 4.02Å; Y285-L327 HydrophobicContact CD2-CD2 4.41Å; Y285-L327 HydrophobicContact CD2-CG 3.7Å; Y285-L327 HydrophobicContact CE1-CD1 3.65Å; Y285-L327 HydrophobicContact CE1-CG 4.28Å; Y285-L327 HydrophobicContact CE2-CD1 4.05Å; Y285-L327 HydrophobicContact CE2-CG 4.2Å; Y285-L327 HydrophobicContact CG-CD1 3.81Å; Y285-L327 HydrophobicContact CG-CD2 3.71Å; Y285-L327 HydrophobicContact CG-CG 3.47Å; Y285-L327 VanDerWaalsContact CG-CG 3.47Å; R324-L327 PolarHBondContact O-N 2.93Å; S325-L327 PolarHBondContact O-N 2.96Å; L327-P329 VanDerWaalsContact C-CD 3.46Å; L327-P329 VanDerWaalsContact C-N 3.35Å; L327-L330 HydrophobicContact CD2-CD2 4.16Å; L327-L330 WeakPolarHBondContact O-CA 3.3Å; L327-L330 WeakPolarHBondContact O-CB 3.39Å; L327-L330 PolarHBondContact O-N 2.85Å; L327-Y331 HydrophobicContact CB-CD1 4.09Å; L327-Y331 WeakPolarHBondContact O-CD1 3.31Å; L327-Y331 PolarHBondContact O-N 2.82Å; L327-V384 HydrophobicContact CD1-CG2 4.3Å; L327-V384 HydrophobicContact CD2-CG2 4.23Å |
| 328 | A | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -50.5 | -44.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | W240 W252 S325 I326 L330 Y331 Q332 | W240-A328 HydrophobicContact CG-CB 4.49Å; W252-A328 HydrophobicContact CE3-CB 3.77Å; W252-A328 HydrophobicContact CZ3-CB 3.88Å; S325-A328 VanDerWaalsContact O-CB 3.25Å; S325-A328 WeakPolarHBondContact O-CB 3.44Å; S325-A328 PolarHBondContact O-N 3.33Å; I326-A328 PolarHBondContact O-N 2.88Å; A328-L330 VanDerWaalsContact C-N 3.27Å; A328-L330 PolarHBondContact O-N 2.83Å; A328-Y331 VanDerWaalsContact CA-CZ 3.4Å; A328-Y331 HydrophobicContact CB-CE1 3.93Å; A328-Y331 HydrophobicContact CB-CE2 4.41Å; A328-Y331 WeakPolarHBondContact CB-OH 3.34Å; A328-Y331 VanDerWaalsContact N-CE1 3.3Å; A328-Q332 WeakPolarHBondContact O-CB 3.33Å; A328-Q332 VanDerWaalsContact O-CG 3.27Å; A328-Q332 WeakPolarHBondContact O-CG 3.33Å; A328-Q332 PolarHBondContact O-N 3.48Å |
| 329 | P | 97.9 | Very high | 96 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.019 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.8 | -40.2 | 174.4 | -23.6 | 34.5 | 0 | 0 | 0 | 112.6 | W240 V277 I278 A281 I326 L327 C333 | W240-P329 HydrophobicContact CB-CG 4.2Å; W240-P329 HydrophobicContact CD2-CB 4.11Å; W240-P329 HydrophobicContact CD2-CG 3.59Å; W240-P329 HydrophobicContact CE3-CB 4.09Å; W240-P329 HydrophobicContact CE3-CG 3.77Å; W240-P329 HydrophobicContact CG-CG 3.76Å; W240-P329 HydrophobicContact CH2-CB 4.36Å; W240-P329 HydrophobicContact CZ2-CB 4.35Å; W240-P329 HydrophobicContact CZ3-CB 4.23Å; W240-P329 HydrophobicContact CZ3-CG 4.4Å; V277-P329 HydrophobicContact CG1-CB 4.31Å; V277-P329 HydrophobicContact CG1-CG 4.36Å; I278-P329 HydrophobicContact CG1-CB 3.98Å; A281-P329 HydrophobicContact CB-CB 4.01Å; A281-P329 HydrophobicContact CB-CG 3.71Å; I326-P329 VanDerWaalsContact O-CD 3.31Å; I326-P329 WeakPolarHBondContact O-CD 3.04Å; L327-P329 VanDerWaalsContact C-CD 3.46Å; L327-P329 VanDerWaalsContact C-N 3.35Å; P329-C333 WeakPolarHBondContact O-CB 3.23Å; P329-C333 PolarHBondContact O-N 2.84Å; P329-C333 VanDerWaalsContact O-N 3.12Å; P329-C333 PolarHBondContact O-SG 3.28Å |
| 330 | L | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.2 | -52.5 | -178.9 | 179.6 | 63.8 | 0 | 0 | 0 | 111.9 | I278 V282 L327 A328 C334 I336 V384 T387 V388 | I278-L330 HydrophobicContact CG2-CB 4.19Å; I278-L330 HydrophobicContact CG2-CD1 3.8Å; V282-L330 HydrophobicContact CG2-CD2 4.15Å; L327-L330 HydrophobicContact CD2-CD2 4.16Å; L327-L330 WeakPolarHBondContact O-CA 3.3Å; L327-L330 WeakPolarHBondContact O-CB 3.39Å; L327-L330 PolarHBondContact O-N 2.85Å; A328-L330 VanDerWaalsContact C-N 3.27Å; A328-L330 PolarHBondContact O-N 2.83Å; L330-C334 VanDerWaalsContact O-CA 3.27Å; L330-C334 WeakPolarHBondContact O-CA 3.35Å; L330-C334 PolarHBondContact O-N 3.42Å; L330-I336 HydrophobicContact CD1-CB 4.1Å; L330-I336 HydrophobicContact CD1-CD1 4.41Å; L330-V384 HydrophobicContact CD2-CG1 4.13Å; L330-T387 HydrophobicContact CD2-CG2 3.84Å; L330-T387 HydrophobicContact CG-CG2 3.99Å; L330-V388 HydrophobicContact CD1-CG2 4.19Å; L330-V388 HydrophobicContact CD2-CG2 3.98Å |
| 331 | Y | 96.8 | Very high | 95.6 | Very high | 75 Ų | 75 | 31.6 Ų | 31.6 | 29% | 0.294 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -77.4 | -21.9 | -174.5 | 69.2 | -112.6 | 0 | 0 | 0 | 113.7 | L327 A328 | L327-Y331 HydrophobicContact CB-CD1 4.09Å; L327-Y331 WeakPolarHBondContact O-CD1 3.31Å; L327-Y331 PolarHBondContact O-N 2.82Å; A328-Y331 VanDerWaalsContact CA-CZ 3.4Å; A328-Y331 HydrophobicContact CB-CE1 3.93Å; A328-Y331 HydrophobicContact CB-CE2 4.41Å; A328-Y331 WeakPolarHBondContact CB-OH 3.34Å; A328-Y331 VanDerWaalsContact N-CE1 3.3Å |
| 332 | Q | 97.2 | Very high | 95.3 | Very high | 27 Ų | 27 | 30.9 Ų | 30.9 | 13% | 0.126 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -84.9 | -40.8 | 175 | -66.7 | -178.7 | -17.8 | 0 | 0 | 112 | W252 C259 A328 | W252-Q332 PolarHBondContact O-NE2 3.12Å; C259-Q332 HydrophobicContact CB-CB 3.94Å; A328-Q332 WeakPolarHBondContact O-CB 3.33Å; A328-Q332 VanDerWaalsContact O-CG 3.27Å; A328-Q332 WeakPolarHBondContact O-CG 3.33Å; A328-Q332 PolarHBondContact O-N 3.48Å |
| 333 | C | 97 | Very high | 94.8 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -83 | -22.9 | -179.6 | -57.5 | 0 | 0 | 0 | 0 | 113 | C259 I278 P329 M335 | C259-C333 HydrophobicContact CB-CB 4.04Å; C259-C333 WeakPolarHBondContact CB-SG 3.2Å; C259-C333 WeakPolarHBondContact SG-CA 3.14Å; C259-C333 WeakPolarHBondContact SG-CB 3.42Å; C259-C333 CovalentContact SG-SG 2.02Å; C259-C333 PolarHBondContact SG-SG 3.12Å; I278-C333 HydrophobicContact CD1-CB 3.91Å; P329-C333 WeakPolarHBondContact O-CB 3.23Å; P329-C333 PolarHBondContact O-N 2.84Å; P329-C333 VanDerWaalsContact O-N 3.12Å; P329-C333 PolarHBondContact O-SG 3.28Å; C333-M335 HydrophobicContact CB-CG 3.83Å; C333-M335 HydrophobicContact CB-SD 4.05Å; C333-M335 PolarHBondContact O-N 3.32Å |
| 334 | C | 96.7 | Very high | 94.5 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 7% | 0.068 | 14% | 0.141 | C | C | . | . | trans | 46.9 | 44.5 | -176.6 | -85.7 | 0 | 0 | 0 | 0 | 113.9 | L330 C391 T400 | L330-C334 VanDerWaalsContact O-CA 3.27Å; L330-C334 WeakPolarHBondContact O-CA 3.35Å; L330-C334 PolarHBondContact O-N 3.42Å; C334-C391 WeakPolarHBondContact CA-SG 3.37Å; C334-C391 HydrophobicContact CB-CB 3.52Å; C334-C391 WeakPolarHBondContact CB-SG 3.35Å; C334-C391 VanDerWaalsContact SG-CA 3.59Å; C334-C391 WeakPolarHBondContact SG-CB 3.31Å; C334-C391 CovalentContact SG-SG 2.06Å; C334-C391 PolarHBondContact SG-SG 2.97Å; C334-T400 VanDerWaalsContact O-CA 3.31Å; C334-T400 WeakPolarHBondContact O-CA 3.34Å | ||
| 335 | M | 95.2 | Very high | 94.2 | Very high | 30 Ų | 30 | 24.1 Ų | 24.1 | 15% | 0.148 | 13% | 0.125 | C | C | . | . | trans | -138 | 144 | 178.3 | 63.3 | -167.7 | -71.5 | 0 | 0 | 109.9 | L274 L275 I278 C333 T400 I402 | L274-M335 HydrophobicContact CD2-CE 4.22Å; L274-M335 HydrophobicContact CD2-SD 3.71Å; L274-M335 HydrophobicContact CG-SD 4.24Å; L275-M335 HydrophobicContact CD2-CE 3.55Å; L275-M335 HydrophobicContact CD2-CG 4.32Å; L275-M335 HydrophobicContact CG-CE 4.01Å; I278-M335 HydrophobicContact CD1-CG 3.27Å; I278-M335 WeakPolarHBondContact CD1-O 3.47Å; I278-M335 HydrophobicContact CD1-SD 4.05Å; I278-M335 WeakPolarHBondContact CG2-O 3.38Å; C333-M335 HydrophobicContact CB-CG 3.83Å; C333-M335 HydrophobicContact CB-SD 4.05Å; C333-M335 PolarHBondContact O-N 3.32Å; M335-T400 CarbonylContact C-O 3.6Å; M335-T400 VanDerWaalsContact CA-O 3.3Å; M335-T400 WeakPolarHBondContact CA-O 3.27Å; M335-I402 HydrophobicContact CB-CG1 4.02Å; M335-I402 HydrophobicContact CE-CG1 4.27Å | ||
| 336 | I | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 147.9 | 176.3 | -171 | 169.7 | 0 | 0 | 0 | 109.2 | V282 L330 T340 W341 L344 V388 T400 L401 I402 | V282-I336 HydrophobicContact CG2-CD1 4.4Å; L330-I336 HydrophobicContact CD1-CB 4.1Å; L330-I336 HydrophobicContact CD1-CD1 4.41Å; I336-T340 HydrophobicContact CD1-CG2 4.02Å; I336-T340 HydrophobicContact CG1-CG2 4.25Å; I336-W341 HydrophobicContact CG2-CB 4.38Å; I336-L344 HydrophobicContact CD1-CD1 3.98Å; I336-V388 HydrophobicContact CD1-CG2 4Å; I336-V388 HydrophobicContact CG2-CG1 3.92Å; I336-V388 HydrophobicContact CG2-CG2 4.29Å; I336-T400 HydrophobicContact CG2-CG2 4.5Å; I336-T400 PolarHBondContact N-O 3.11Å; I336-L401 HydrophobicContact CG2-CD2 3.73Å; I336-I402 PolarHBondContact O-N 3.33Å |
| 337 | R | 93.3 | Very high | 93.3 | Very high | 17 Ų | 17 | 25.7 Ų | 25.7 | 6% | 0.064 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 136.4 | 177.3 | -163.4 | 178.9 | -75.4 | 101.4 | -9.1 | 110.4 | D276 D279 S339 T340 W341 I402 D404 | D276-R337 IonicContact OD1-CZ 3.06Å; D276-R337 IonicContact OD1-NH1 2.84Å; D276-R337 IonicContact OD1-NH2 2.79Å; D276-R337 PolarHBondContact OD1-NH2 3.47Å; D276-R337 VanDerWaalsContact OD1-NH2 3.12Å; D279-R337 IonicContact OD1-NH1 3.52Å; D279-R337 IonicContact OD2-CZ 2.88Å; D279-R337 IonicContact OD2-NH1 3.45Å; D279-R337 PolarHBondContact OD2-NH1 3.21Å; R337-S339 WeakPolarHBondContact CD-OG 3.27Å; R337-S339 VanDerWaalsContact CG-OG 3.31Å; R337-S339 WeakPolarHBondContact CG-OG 3.19Å; R337-S339 PolarHBondContact O-N 3.39Å; R337-T340 WeakPolarHBondContact O-CB 3.46Å; R337-T340 PolarHBondContact O-N 2.85Å; R337-W341 PolarHBondContact O-N 3.29Å; R337-I402 WeakPolarHBondContact CA-O 3.14Å; R337-D404 HydrophobicContact CG-CB 3.89Å; R337-D404 IonicContact CZ-OD2 3.69Å; R337-D404 VanDerWaalsContact CZ-OD2 3.23Å; R337-D404 VanDerWaalsContact NE-CB 3.26Å; R337-D404 IonicContact NE-OD2 3.67Å; R337-D404 PolarHBondContact NE-OD2 3.27Å; R337-D404 IonicContact NH2-OD2 2.79Å; R337-D404 PolarHBondContact NH2-OD2 3.34Å |
| 338 | V | 91.8 | Very high | 92.9 | Very high | 39 Ų | 39 | 28.8 Ų | 28.8 | 24% | 0.236 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -53.6 | -41.6 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | T340 W341 N342 L401 I402 E403 | V338-T340 PolarHBondContact O-N 2.96Å; V338-W341 PolarHBondContact O-N 2.81Å; V338-N342 WeakPolarHBondContact O-CB 3.42Å; V338-N342 VanDerWaalsContact O-CG 3.24Å; V338-N342 PolarHBondContact O-N 2.94Å; V338-N342 PolarHBondContact O-ND2 3.37Å; V338-L401 HydrophobicContact CG2-CB 3.88Å; V338-I402 PolarHBondContact N-O 3.1Å; V338-E403 HydrophobicContact CG2-CG 4.11Å |
| 339 | S | 87.5 | Confident | 92.5 | Very high | 50 Ų | 50 | 32.7 Ų | 32.7 | 35% | 0.35 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 177.2 | 60.2 | 0 | 0 | 0 | 0 | 111.9 | R337 R343 | R337-S339 WeakPolarHBondContact CD-OG 3.27Å; R337-S339 VanDerWaalsContact CG-OG 3.31Å; R337-S339 WeakPolarHBondContact CG-OG 3.19Å; R337-S339 PolarHBondContact O-N 3.39Å; S339-R343 WeakPolarHBondContact O-CB 3.31Å; S339-R343 VanDerWaalsContact O-CD 3.3Å; S339-R343 WeakPolarHBondContact O-CD 3.36Å; S339-R343 WeakPolarHBondContact O-CG 3.2Å; S339-R343 PolarHBondContact O-N 3.46Å |
| 340 | T | 90.9 | Very high | 92.1 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -46.3 | 178.9 | -52.3 | 0 | 0 | 0 | 0 | 110.3 | F161 D279 I336 R337 V338 N342 R343 L344 | F161-T340 HydrophobicContact CE1-CG2 3.91Å; F161-T340 HydrophobicContact CZ-CG2 3.85Å; D279-T340 WeakPolarHBondContact OD1-CB 3.46Å; D279-T340 WeakPolarHBondContact OD1-CG2 3.29Å; D279-T340 PolarHBondContact OD1-OG1 2.91Å; I336-T340 HydrophobicContact CD1-CG2 4.02Å; I336-T340 HydrophobicContact CG1-CG2 4.25Å; R337-T340 WeakPolarHBondContact O-CB 3.46Å; R337-T340 PolarHBondContact O-N 2.85Å; V338-T340 PolarHBondContact O-N 2.96Å; T340-N342 PolarHBondContact O-N 3.34Å; T340-R343 PolarHBondContact O-N 3.38Å; T340-L344 HydrophobicContact CG2-CD1 3.97Å; T340-L344 HydrophobicContact CG2-CG 4.3Å; T340-L344 WeakPolarHBondContact O-CB 3.17Å; T340-L344 VanDerWaalsContact O-CG 3.24Å; T340-L344 WeakPolarHBondContact O-CG 3.09Å; T340-L344 PolarHBondContact O-N 2.81Å |
| 341 | W | 93.2 | Very high | 91.8 | Very high | 31 Ų | 31 | 35.7 Ų | 35.7 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58 | -46.1 | 177.1 | 171 | -111.2 | 0 | 0 | 0 | 113.3 | I336 R337 V338 L344 S345 I385 V388 K389 M392 L401 | I336-W341 HydrophobicContact CG2-CB 4.38Å; R337-W341 PolarHBondContact O-N 3.29Å; V338-W341 PolarHBondContact O-N 2.81Å; W341-L344 PolarHBondContact O-N 2.84Å; W341-S345 WeakPolarHBondContact O-CB 3.1Å; W341-S345 PolarHBondContact O-N 2.9Å; W341-S345 PolarHBondContact O-OG 3.36Å; W341-S345 VanDerWaalsContact O-OG 3.07Å; W341-I385 HydrophobicContact CH2-CG2 4.06Å; W341-I385 HydrophobicContact CZ3-CB 4.46Å; W341-I385 HydrophobicContact CZ3-CG1 4.38Å; W341-I385 HydrophobicContact CZ3-CG2 4.24Å; W341-V388 HydrophobicContact CD2-CG1 4.19Å; W341-V388 HydrophobicContact CE3-CB 3.9Å; W341-V388 HydrophobicContact CE3-CG1 3.56Å; W341-V388 HydrophobicContact CE3-CG2 4.07Å; W341-V388 HydrophobicContact CH2-CB 4.31Å; W341-V388 HydrophobicContact CH2-CG1 4.17Å; W341-V388 HydrophobicContact CZ3-CB 3.53Å; W341-V388 HydrophobicContact CZ3-CG1 3.56Å; W341-V388 HydrophobicContact CZ3-CG2 4.03Å; W341-K389 HydrophobicContact CH2-CG 4.18Å; W341-M392 HydrophobicContact CZ2-SD 4.33Å; W341-L401 HydrophobicContact CB-CD2 3.89Å; W341-L401 HydrophobicContact CD2-CD2 4.3Å; W341-L401 HydrophobicContact CG-CD2 3.74Å |
| 342 | N | 89.4 | Confident | 91.5 | Very high | 74 Ų | 74 | 32.1 Ų | 32.1 | 40% | 0.396 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.6 | -46.2 | 178.8 | -70.4 | -16.2 | 0 | 0 | 0 | 110.5 | V338 T340 S345 F346 | V338-N342 WeakPolarHBondContact O-CB 3.42Å; V338-N342 VanDerWaalsContact O-CG 3.24Å; V338-N342 PolarHBondContact O-N 2.94Å; V338-N342 PolarHBondContact O-ND2 3.37Å; T340-N342 PolarHBondContact O-N 3.34Å; N342-S345 WeakPolarHBondContact O-CB 2.99Å; N342-S345 PolarHBondContact O-N 2.85Å; N342-S345 VanDerWaalsContact O-N 3.15Å; N342-F346 HydrophobicContact CB-CE2 4.4Å; N342-F346 WeakPolarHBondContact O-CD2 3.33Å; N342-F346 PolarHBondContact O-N 3.26Å; N342-F346 VanDerWaalsContact O-N 3.15Å |
| 343 | R | 86.9 | Confident | 91.4 | Very high | 65 Ų | 65 | 31.4 Ų | 31.4 | 25% | 0.245 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.5 | -50.1 | 177.6 | -72.9 | 167.6 | 178.3 | -77.5 | 3.7 | 112 | R157 I158 L159 S339 T340 S345 F346 L347 | R157-R343 PolarHBondContact O-NH1 3.29Å; I158-R343 HydrophobicContact CG2-CB 3.68Å; I158-R343 HydrophobicContact CG2-CG 4.18Å; I158-R343 WeakPolarHBondContact CG2-O 3.41Å; I158-R343 WeakPolarHBondContact O-CB 3.49Å; I158-R343 WeakPolarHBondContact O-CD 3.45Å; I158-R343 WeakPolarHBondContact O-CG 3.39Å; I158-R343 PolarHBondContact O-NH1 2.89Å; L159-R343 WeakPolarHBondContact O-CD 3.32Å; S339-R343 WeakPolarHBondContact O-CB 3.31Å; S339-R343 VanDerWaalsContact O-CD 3.3Å; S339-R343 WeakPolarHBondContact O-CD 3.36Å; S339-R343 WeakPolarHBondContact O-CG 3.2Å; S339-R343 PolarHBondContact O-N 3.46Å; T340-R343 PolarHBondContact O-N 3.38Å; R343-S345 PolarHBondContact O-N 3.42Å; R343-F346 PolarHBondContact O-N 2.84Å; R343-F346 VanDerWaalsContact O-N 3.13Å; R343-L347 PolarHBondContact O-N 2.89Å |
| 344 | L | 91.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.5 | -36.1 | 175.4 | -67.5 | 169.6 | 0 | 0 | 0 | 112.2 | L159 V282 L286 I336 T340 W341 F346 L347 L381 V384 | L159-L344 HydrophobicContact CD2-CD2 3.73Å; V282-L344 HydrophobicContact CG1-CD1 4.05Å; V282-L344 HydrophobicContact CG1-CD2 4.04Å; L286-L344 HydrophobicContact CD1-CD2 4.46Å; I336-L344 HydrophobicContact CD1-CD1 3.98Å; T340-L344 HydrophobicContact CG2-CD1 3.97Å; T340-L344 HydrophobicContact CG2-CG 4.3Å; T340-L344 WeakPolarHBondContact O-CB 3.17Å; T340-L344 VanDerWaalsContact O-CG 3.24Å; T340-L344 WeakPolarHBondContact O-CG 3.09Å; T340-L344 PolarHBondContact O-N 2.81Å; W341-L344 PolarHBondContact O-N 2.84Å; L344-F346 VanDerWaalsContact C-N 3.34Å; L344-F346 PolarHBondContact O-N 3.39Å; L344-L347 PolarHBondContact O-N 3.39Å; L344-L381 HydrophobicContact CB-CD1 4.03Å; L344-L381 HydrophobicContact CD2-CD1 3.63Å; L344-L381 HydrophobicContact CG-CD1 4.4Å; L344-V384 HydrophobicContact CD1-CG1 3.88Å |
| 345 | S | 90.1 | Very high | 90.8 | Very high | 33 Ų | 33 | 34.2 Ų | 34.2 | 23% | 0.231 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.4 | -32.4 | 178.4 | -71.8 | 0 | 0 | 0 | 0 | 113.6 | W341 N342 R343 L347 K348 | W341-S345 WeakPolarHBondContact O-CB 3.1Å; W341-S345 PolarHBondContact O-N 2.9Å; W341-S345 PolarHBondContact O-OG 3.36Å; W341-S345 VanDerWaalsContact O-OG 3.07Å; N342-S345 WeakPolarHBondContact O-CB 2.99Å; N342-S345 PolarHBondContact O-N 2.85Å; N342-S345 VanDerWaalsContact O-N 3.15Å; R343-S345 PolarHBondContact O-N 3.42Å; S345-L347 VanDerWaalsContact C-N 3.27Å; S345-L347 PolarHBondContact O-N 2.96Å; S345-K348 WeakPolarHBondContact O-CD 3.31Å; S345-K348 WeakPolarHBondContact O-CG 3.35Å; S345-K348 PolarHBondContact OG-NZ 2.97Å |
| 346 | F | 86.9 | Confident | 90.6 | Very high | 76 Ų | 76 | 32.8 Ų | 32.8 | 33% | 0.333 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -72.3 | -19.7 | 174.9 | -69.5 | -59.8 | 0 | 0 | 0 | 113.8 | D37 I158 N342 R343 L344 | D37-F346 HydrophobicContact CB-CE1 3.74Å; D37-F346 HydrophobicContact CB-CZ 3.71Å; I158-F346 HydrophobicContact CD1-CB 4.32Å; I158-F346 HydrophobicContact CG2-CB 4.4Å; N342-F346 HydrophobicContact CB-CE2 4.4Å; N342-F346 WeakPolarHBondContact O-CD2 3.33Å; N342-F346 PolarHBondContact O-N 3.26Å; N342-F346 VanDerWaalsContact O-N 3.15Å; R343-F346 PolarHBondContact O-N 2.84Å; R343-F346 VanDerWaalsContact O-N 3.13Å; L344-F346 VanDerWaalsContact C-N 3.34Å; L344-F346 PolarHBondContact O-N 3.39Å |
| 347 | L | 88.4 | Confident | 90.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 0.2 | -177.2 | -73.5 | 168.6 | 0 | 0 | 0 | 114.2 | L156 I158 L159 R343 L344 S345 V351 L352 L381 | L156-L347 HydrophobicContact CD2-CD1 4.44Å; L156-L347 HydrophobicContact CD2-CD2 3.72Å; I158-L347 HydrophobicContact CB-CD1 3.97Å; I158-L347 HydrophobicContact CB-CD2 3.91Å; I158-L347 HydrophobicContact CB-CG 3.93Å; I158-L347 HydrophobicContact CD1-CD2 3.3Å; I158-L347 HydrophobicContact CD1-CG 3.79Å; I158-L347 HydrophobicContact CG1-CD2 4.2Å; I158-L347 HydrophobicContact CG1-CG 4.47Å; I158-L347 HydrophobicContact CG2-CD1 3.56Å; I158-L347 HydrophobicContact CG2-CD2 4.09Å; I158-L347 HydrophobicContact CG2-CG 3.53Å; L159-L347 HydrophobicContact CD2-CD1 4.31Å; L159-L347 HydrophobicContact CG-CD1 4.01Å; R343-L347 PolarHBondContact O-N 2.89Å; L344-L347 PolarHBondContact O-N 3.39Å; S345-L347 VanDerWaalsContact C-N 3.27Å; S345-L347 PolarHBondContact O-N 2.96Å; L347-V351 HydrophobicContact CD2-CG1 4.18Å; L347-L352 HydrophobicContact CB-CB 4.17Å; L347-L352 HydrophobicContact CD1-CD1 4.19Å; L347-L352 HydrophobicContact CD2-CB 4.33Å; L347-L352 HydrophobicContact CD2-CD1 4.17Å; L347-L352 PolarHBondContact O-N 3.17Å; L347-L352 VanDerWaalsContact O-N 3.15Å; L347-L381 VanDerWaalsContact C-CD2 3.42Å; L347-L381 HydrophobicContact CB-CD2 3.58Å; L347-L381 WeakPolarHBondContact O-CD2 3.27Å |
| 348 | K | 90.3 | Very high | 90.3 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 30% | 0.296 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 161.7 | -178.4 | -71.9 | 171.1 | 179.5 | 153.5 | 0 | 112.5 | S345 V351 I385 | S345-K348 WeakPolarHBondContact O-CD 3.31Å; S345-K348 WeakPolarHBondContact O-CG 3.35Å; S345-K348 PolarHBondContact OG-NZ 2.97Å; K348-V351 VanDerWaalsContact O-CG2 3.3Å; K348-V351 WeakPolarHBondContact O-CG2 3.47Å; K348-I385 HydrophobicContact CD-CD1 3.84Å; K348-I385 HydrophobicContact CG-CD1 3.43Å; K348-I385 VanDerWaalsContact CG-CD1 3.43Å |
| 349 | G | 89.2 | Confident | 90.2 | Very high | 82 Ų | 82 | 38.8 Ų | 38.8 | 85% | 0.845 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 30.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 350 | G | 89.3 | Confident | 90.5 | Very high | 27 Ų | 27 | 36.6 Ų | 36.6 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -0.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S353 S354 D378 | G350-S353 PolarHBondContact O-OG 2.89Å; G350-S354 WeakPolarHBondContact O-CB 3.07Å; G350-S354 PolarHBondContact O-N 3.19Å; G350-D378 WeakPolarHBondContact CA-OD2 3.43Å |
| 351 | V | 90.2 | Very high | 90.5 | Very high | 40 Ų | 40 | 38.1 Ų | 38.1 | 24% | 0.242 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -39 | 178.4 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | F41 L347 K348 S354 A355 | F41-V351 HydrophobicContact CE2-CG1 3.89Å; F41-V351 HydrophobicContact CZ-CG1 4.17Å; L347-V351 HydrophobicContact CD2-CG1 4.18Å; K348-V351 VanDerWaalsContact O-CG2 3.3Å; K348-V351 WeakPolarHBondContact O-CG2 3.47Å; V351-S354 PolarHBondContact O-N 3.25Å; V351-A355 VanDerWaalsContact O-CB 3.23Å; V351-A355 WeakPolarHBondContact O-CB 3.35Å; V351-A355 PolarHBondContact O-N 2.02Å |
| 352 | L | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.7 | -53.5 | 179.6 | 179.2 | 54.4 | 0 | 0 | 0 | 112.3 | L153 L156 L286 L347 S354 A355 M356 L377 D378 L381 | L153-L352 HydrophobicContact CD1-CD1 3.74Å; L156-L352 HydrophobicContact CD2-CD1 4.49Å; L286-L352 HydrophobicContact CD2-CD2 4.3Å; L347-L352 HydrophobicContact CB-CB 4.17Å; L347-L352 HydrophobicContact CD1-CD1 4.19Å; L347-L352 HydrophobicContact CD2-CB 4.33Å; L347-L352 HydrophobicContact CD2-CD1 4.17Å; L347-L352 PolarHBondContact O-N 3.17Å; L347-L352 VanDerWaalsContact O-N 3.15Å; L352-S354 VanDerWaalsContact C-N 3.31Å; L352-S354 PolarHBondContact O-N 2.96Å; L352-A355 PolarHBondContact O-N 3.12Å; L352-M356 VanDerWaalsContact O-CB 3.28Å; L352-M356 WeakPolarHBondContact O-CB 3.31Å; L352-M356 PolarHBondContact O-N 3.25Å; L352-L377 HydrophobicContact CD2-CB 3.9Å; L352-L377 HydrophobicContact CG-CB 4.13Å; L352-D378 WeakPolarHBondContact CB-OD1 3.47Å; L352-L381 HydrophobicContact CB-CD2 4.1Å; L352-L381 HydrophobicContact CD2-CB 4.05Å; L352-L381 HydrophobicContact CD2-CD2 4.06Å |
| 353 | S | 93.6 | Very high | 90.7 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -37.9 | 179.2 | 64.9 | 0 | 0 | 0 | 0 | 112.8 | G350 M356 R357 L374 D378 | G350-S353 PolarHBondContact O-OG 2.89Å; S353-M356 PolarHBondContact O-N 3.25Å; S353-R357 WeakPolarHBondContact O-CB 3.37Å; S353-R357 PolarHBondContact O-N 3.49Å; S353-L374 VanDerWaalsContact CB-O 3.24Å; S353-L374 WeakPolarHBondContact CB-O 3.4Å; S353-D378 WeakPolarHBondContact CB-OD2 3.42Å; S353-D378 PolarHBondContact N-OD1 3.45Å; S353-D378 PolarHBondContact OG-OD2 2.74Å |
| 354 | S | 91.7 | Very high | 91.1 | Very high | 66 Ų | 66 | 34.4 Ų | 34.4 | 46% | 0.462 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.8 | -49.4 | 176.6 | -169.8 | 0 | 0 | 0 | 0 | 112.2 | G350 V351 L352 M356 R357 Q358 | G350-S354 WeakPolarHBondContact O-CB 3.07Å; G350-S354 PolarHBondContact O-N 3.19Å; V351-S354 PolarHBondContact O-N 3.25Å; L352-S354 VanDerWaalsContact C-N 3.31Å; L352-S354 PolarHBondContact O-N 2.96Å; S354-M356 VanDerWaalsContact C-N 3.3Å; S354-M356 PolarHBondContact O-N 3.45Å; S354-R357 PolarHBondContact O-N 3.34Å; S354-Q358 PolarHBondContact O-N 3.37Å |
| 355 | A | 89.9 | Confident | 91.4 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L48 L156 V351 L352 Q358 A359 | L48-A355 HydrophobicContact CD1-CB 3.61Å; L48-A355 HydrophobicContact CD2-CB 4.41Å; L156-A355 HydrophobicContact CD1-CB 3.86Å; L156-A355 HydrophobicContact CD2-CB 4.12Å; L156-A355 HydrophobicContact CG-CB 4.33Å; V351-A355 VanDerWaalsContact O-CB 3.23Å; V351-A355 WeakPolarHBondContact O-CB 3.35Å; V351-A355 PolarHBondContact O-N 2.02Å; L352-A355 PolarHBondContact O-N 3.12Å; A355-Q358 PolarHBondContact O-N 3.45Å; A355-A359 WeakPolarHBondContact O-CB 3.36Å; A355-A359 PolarHBondContact O-N 3.31Å |
| 356 | M | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.6 | -44.6 | 176.3 | -164.2 | 72.1 | -142.7 | 0 | 0 | 111.4 | A149 H152 L153 L156 L352 S353 S354 Q358 A359 L360 L369 L374 L377 | A149-M356 HydrophobicContact CB-CE 4.36Å; A149-M356 WeakPolarHBondContact O-CE 3.49Å; H152-M356 HydrophobicContact CB-CE 3.35Å; L153-M356 HydrophobicContact CB-CE 4.29Å; L153-M356 HydrophobicContact CB-SD 3.95Å; L153-M356 HydrophobicContact CD1-SD 3.98Å; L156-M356 HydrophobicContact CD1-CB 4.44Å; L156-M356 HydrophobicContact CD1-SD 4.07Å; L352-M356 VanDerWaalsContact O-CB 3.28Å; L352-M356 WeakPolarHBondContact O-CB 3.31Å; L352-M356 PolarHBondContact O-N 3.25Å; S353-M356 PolarHBondContact O-N 3.25Å; S354-M356 VanDerWaalsContact C-N 3.3Å; S354-M356 PolarHBondContact O-N 3.45Å; M356-Q358 VanDerWaalsContact C-N 3.31Å; M356-Q358 PolarHBondContact O-N 2.89Å; M356-A359 PolarHBondContact O-N 3.18Å; M356-L360 HydrophobicContact CE-CD1 3.68Å; M356-L360 HydrophobicContact CE-CD2 3.55Å; M356-L360 HydrophobicContact CE-CG 3.56Å; M356-L360 HydrophobicContact CG-CD1 3.83Å; M356-L360 HydrophobicContact CG-CG 4.36Å; M356-L360 WeakPolarHBondContact O-CB 3.49Å; M356-L360 WeakPolarHBondContact O-CG 3.46Å; M356-L360 PolarHBondContact O-N 2.96Å; M356-L369 HydrophobicContact CG-CD1 4.47Å; M356-L374 HydrophobicContact CB-CD2 3.87Å; M356-L374 HydrophobicContact CG-CD2 3.84Å; M356-L377 HydrophobicContact CB-CD1 4.28Å; M356-L377 HydrophobicContact CG-CD1 3.94Å |
| 357 | R | 92.2 | Very high | 92.1 | Very high | 97 Ų | 97 | 37.2 Ų | 37.2 | 37% | 0.366 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 176.9 | -168.9 | -179.2 | -65.1 | 95.9 | -1.2 | 111.7 | S353 S354 A361 E371 L374 | S353-R357 WeakPolarHBondContact O-CB 3.37Å; S353-R357 PolarHBondContact O-N 3.49Å; S354-R357 PolarHBondContact O-N 3.34Å; R357-A361 PolarHBondContact O-N 3.23Å; R357-E371 IonicContact CZ-OE1 3.89Å; R357-E371 IonicContact CZ-OE2 3.29Å; R357-E371 IonicContact NE-OE1 3.71Å; R357-E371 PolarHBondContact NE-OE1 3.43Å; R357-E371 IonicContact NE-OE2 2.96Å; R357-E371 IonicContact NH2-OE1 3.47Å; R357-E371 PolarHBondContact NH2-OE1 3.17Å; R357-E371 IonicContact NH2-OE2 2.73Å; R357-E371 PolarHBondContact NH2-OE2 3.27Å; R357-L374 HydrophobicContact CB-CD1 4.25Å; R357-L374 HydrophobicContact CG-CD1 4.37Å |
| 358 | Q | 90 | Very high | 92.5 | Very high | 81 Ų | 81 | 37.3 Ų | 37.3 | 38% | 0.379 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.3 | -44.8 | 177.4 | -172.1 | 173.7 | 32.6 | 0 | 0 | 112.2 | L48 S49 S354 A355 M356 L360 A361 | L48-Q358 HydrophobicContact CB-CG 4.35Å; S49-Q358 PolarHBondContact OG-NE2 3.07Å; S354-Q358 PolarHBondContact O-N 3.37Å; A355-Q358 PolarHBondContact O-N 3.45Å; M356-Q358 VanDerWaalsContact C-N 3.31Å; M356-Q358 PolarHBondContact O-N 2.89Å; Q358-L360 PolarHBondContact O-N 2.99Å; Q358-A361 WeakPolarHBondContact O-CB 3.14Å; Q358-A361 PolarHBondContact O-N 2.92Å |
| 359 | A | 89.4 | Confident | 92.8 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H152 A355 M356 A361 | H152-A359 HydrophobicContact CB-CB 4.45Å; H152-A359 PolarHBondContact CE1-O 3.49Å; H152-A359 PolarHBondContact ND1-O 3.39Å; A355-A359 WeakPolarHBondContact O-CB 3.36Å; A355-A359 PolarHBondContact O-N 3.31Å; M356-A359 PolarHBondContact O-N 3.18Å; A359-A361 VanDerWaalsContact C-N 3.3Å; A359-A361 PolarHBondContact O-N 3.39Å |
| 360 | L | 92.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.3 | -21.1 | 180 | -66.2 | 171.2 | 0 | 0 | 0 | 113.7 | V148 A149 H152 M356 Q358 F362 D363 V368 L369 | V148-L360 HydrophobicContact CG1-CD2 4.41Å; A149-L360 HydrophobicContact CB-CD2 4.48Å; H152-L360 HydrophobicContact CB-CD2 3.78Å; M356-L360 HydrophobicContact CE-CD1 3.68Å; M356-L360 HydrophobicContact CE-CD2 3.55Å; M356-L360 HydrophobicContact CE-CG 3.56Å; M356-L360 HydrophobicContact CG-CD1 3.83Å; M356-L360 HydrophobicContact CG-CG 4.36Å; M356-L360 WeakPolarHBondContact O-CB 3.49Å; M356-L360 WeakPolarHBondContact O-CG 3.46Å; M356-L360 PolarHBondContact O-N 2.96Å; Q358-L360 PolarHBondContact O-N 2.99Å; L360-F362 PolarHBondContact O-N 3.14Å; L360-F362 VanDerWaalsContact O-N 3.15Å; L360-D363 WeakPolarHBondContact O-CB 3.49Å; L360-D363 PolarHBondContact O-N 3.15Å; L360-V368 HydrophobicContact CB-CB 4.36Å; L360-V368 HydrophobicContact CB-CG2 4.22Å; L360-V368 HydrophobicContact CD1-CB 4.18Å; L360-V368 HydrophobicContact CD2-CB 3.89Å; L360-V368 HydrophobicContact CD2-CG1 4.02Å; L360-V368 HydrophobicContact CD2-CG2 3.99Å; L360-V368 HydrophobicContact CG-CB 4.35Å; L360-L369 HydrophobicContact CD1-CB 4.25Å; L360-L369 HydrophobicContact CD1-CD1 3.96Å; L360-L369 HydrophobicContact CD1-CG 3.95Å |
| 361 | A | 92.5 | Very high | 93.5 | Very high | 34 Ų | 34 | 35 Ų | 35 | 28% | 0.281 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -12.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R52 R357 Q358 A359 | R52-A361 PolarHBondContact NH2-O 2.96Å; R357-A361 PolarHBondContact O-N 3.23Å; Q358-A361 WeakPolarHBondContact O-CB 3.14Å; Q358-A361 PolarHBondContact O-N 2.92Å; A359-A361 VanDerWaalsContact C-N 3.3Å; A359-A361 PolarHBondContact O-N 3.39Å |
| 362 | F | 90.3 | Very high | 93.9 | Very high | 25 Ų | 25 | 36.5 Ų | 36.5 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -31.7 | 170.8 | 175.6 | -99 | 0 | 0 | 0 | 112.4 | L50 P51 R52 A85 L88 L360 | L50-F362 HydrophobicContact CB-CB 4.29Å; L50-F362 HydrophobicContact CB-CD1 4.31Å; L50-F362 HydrophobicContact CB-CD2 3.46Å; L50-F362 VanDerWaalsContact CB-CD2 3.46Å; L50-F362 HydrophobicContact CB-CE2 3.79Å; L50-F362 HydrophobicContact CB-CG 3.75Å; L50-F362 HydrophobicContact CB-CZ 4.35Å; L50-F362 HydrophobicContact CD1-CD1 3.9Å; L50-F362 HydrophobicContact CD1-CE1 4.11Å; L50-F362 HydrophobicContact CD1-CG 4.13Å; L50-F362 HydrophobicContact CG-CG 4.5Å; P51-F362 WeakPolarHBondContact O-CE2 3.36Å; R52-F362 HydrophobicContact CG-CD2 4.4Å; A85-F362 HydrophobicContact CB-CE2 4.32Å; A85-F362 HydrophobicContact CB-CZ 4.27Å; L88-F362 HydrophobicContact CB-CE1 3.78Å; L88-F362 HydrophobicContact CB-CZ 4.37Å; L88-F362 HydrophobicContact CD1-CD1 4.36Å; L88-F362 HydrophobicContact CD1-CE1 3.93Å; L360-F362 PolarHBondContact O-N 3.14Å; L360-F362 VanDerWaalsContact O-N 3.15Å |
| 363 | D | 95.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -70.3 | 138.1 | -169.9 | -167.6 | -73.8 | 0 | 0 | 0 | 112.2 | V148 G169 L360 I365 N366 V368 | V148-D363 HydrophobicContact CG1-CB 4.26Å; V148-D363 VanDerWaalsContact CG1-OD2 3.22Å; V148-D363 WeakPolarHBondContact CG1-OD2 3.44Å; G169-D363 WeakPolarHBondContact CA-OD1 3.48Å; G169-D363 PolarHBondContact N-OD1 2.76Å; G169-D363 PolarHBondContact N-OD2 2.94Å; L360-D363 WeakPolarHBondContact O-CB 3.49Å; L360-D363 PolarHBondContact O-N 3.15Å; D363-I365 PolarHBondContact O-N 3.46Å; D363-I365 VanDerWaalsContact OD1-CG1 3.29Å; D363-I365 WeakPolarHBondContact OD1-CG1 3.49Å; D363-I365 PolarHBondContact OD1-N 2.93Å; D363-N366 VanDerWaalsContact O-CB 3.23Å; D363-N366 WeakPolarHBondContact O-CB 3.43Å; D363-N366 PolarHBondContact O-N 3.09Å; D363-N366 VanDerWaalsContact O-N 3.12Å; D363-V368 HydrophobicContact CB-CG2 3.95Å |
| 364 | P | 96.2 | Very high | 94.3 | Very high | 64 Ų | 64 | 36.6 Ų | 36.6 | 42% | 0.416 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.5 | 179.4 | -26.4 | 35.5 | 0 | 0 | 0 | 115.5 | V168 G169 N366 | V168-P364 HydrophobicContact CG2-CG 4.27Å; G169-P364 WeakPolarHBondContact O-CG 3.36Å; P364-N366 VanDerWaalsContact C-N 3.31Å |
| 365 | I | 96.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 17.6 | -179.9 | 76.7 | 177.9 | 0 | 0 | 0 | 112.8 | R129 V148 Y171 E220 D363 P367 V368 | R129-I365 PolarHBondContact NH2-O 3.35Å; R129-I365 VanDerWaalsContact NH2-O 3.12Å; V148-I365 HydrophobicContact CG2-CD1 4.27Å; Y171-I365 HydrophobicContact CD2-CG2 4.28Å; Y171-I365 HydrophobicContact CE2-CB 4.42Å; Y171-I365 HydrophobicContact CE2-CG2 3.8Å; E220-I365 HydrophobicContact CG-CB 4.28Å; E220-I365 HydrophobicContact CG-CG2 3.8Å; D363-I365 PolarHBondContact O-N 3.46Å; D363-I365 VanDerWaalsContact OD1-CG1 3.29Å; D363-I365 WeakPolarHBondContact OD1-CG1 3.49Å; D363-I365 PolarHBondContact OD1-N 2.93Å; I365-P367 CarbonylContact O-C 3.49Å; I365-P367 VanDerWaalsContact O-C 3.27Å; I365-P367 VanDerWaalsContact O-O 3.08Å; I365-V368 HydrophobicContact CG1-CG2 4.08Å |
| 366 | N | 95.4 | Very high | 94.9 | Very high | 81 Ų | 81 | 35.9 Ų | 35.9 | 43% | 0.433 | 20% | 0.204 | S | C | . | . | trans | -58.2 | 130.3 | 175.3 | 178.7 | 74.3 | 0 | 0 | 0 | 111.2 | D363 P364 | D363-N366 VanDerWaalsContact O-CB 3.23Å; D363-N366 WeakPolarHBondContact O-CB 3.43Å; D363-N366 PolarHBondContact O-N 3.09Å; D363-N366 VanDerWaalsContact O-N 3.12Å; P364-N366 VanDerWaalsContact C-N 3.31Å | ||
| 367 | P | 96.7 | Very high | 95.1 | Very high | 87 Ų | 87 | 35.9 Ų | 35.9 | 57% | 0.565 | 20% | 0.204 | S | C | * | . | cis | -74.9 | 129 | 4.9 | 29.6 | -34.8 | 0 | 0 | 0 | 114.4 | R129 I365 | R129-P367 PolarHBondContact NE-O 2.99Å; R129-P367 PolarHBondContact NH2-O 2.9Å; I365-P367 CarbonylContact O-C 3.49Å; I365-P367 VanDerWaalsContact O-C 3.27Å; I365-P367 VanDerWaalsContact O-O 3.08Å | ||
| 368 | V | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | trans | -82.8 | -43 | 178.8 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | R129 N145 V148 A149 L360 D363 I365 | R129-V368 VanDerWaalsContact CD-O 3.25Å; R129-V368 WeakPolarHBondContact CD-O 3.41Å; R129-V368 PolarHBondContact NE-O 3.14Å; R129-V368 VanDerWaalsContact NE-O 3.09Å; N145-V368 HydrophobicContact CB-CG1 3.96Å; N145-V368 WeakPolarHBondContact CB-O 3.25Å; N145-V368 PolarHBondContact ND2-O 3.47Å; N145-V368 VanDerWaalsContact O-CG1 3.29Å; N145-V368 WeakPolarHBondContact O-CG1 3.38Å; V148-V368 HydrophobicContact CB-CG1 3.9Å; V148-V368 HydrophobicContact CG1-CG1 3.79Å; V148-V368 HydrophobicContact CG1-CG2 4.04Å; A149-V368 HydrophobicContact CB-CG1 4.28Å; L360-V368 HydrophobicContact CB-CB 4.36Å; L360-V368 HydrophobicContact CB-CG2 4.22Å; L360-V368 HydrophobicContact CD1-CB 4.18Å; L360-V368 HydrophobicContact CD2-CB 3.89Å; L360-V368 HydrophobicContact CD2-CG1 4.02Å; L360-V368 HydrophobicContact CD2-CG2 3.99Å; L360-V368 HydrophobicContact CG-CB 4.35Å; D363-V368 HydrophobicContact CB-CG2 3.95Å; I365-V368 HydrophobicContact CG1-CG2 4.08Å | ||
| 369 | L | 96.9 | Very high | 95.8 | Very high | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -116.1 | 143 | 177 | -67.6 | -178.4 | 0 | 0 | 0 | 110.4 | A149 F316 M356 L360 H373 L374 | A149-L369 HydrophobicContact CB-CD1 3.82Å; A149-L369 HydrophobicContact CB-CD2 3.75Å; A149-L369 HydrophobicContact CB-CG 3.78Å; F316-L369 HydrophobicContact CB-CD2 4.15Å; F316-L369 HydrophobicContact CD1-CD1 4.1Å; F316-L369 HydrophobicContact CD1-CD2 3.8Å; F316-L369 HydrophobicContact CD2-CD2 4.15Å; F316-L369 HydrophobicContact CE1-CD1 3.68Å; F316-L369 HydrophobicContact CE1-CD2 4.18Å; F316-L369 HydrophobicContact CG-CD2 3.77Å; F316-L369 HydrophobicContact CZ-CD1 3.99Å; M356-L369 HydrophobicContact CG-CD1 4.47Å; L360-L369 HydrophobicContact CD1-CB 4.25Å; L360-L369 HydrophobicContact CD1-CD1 3.96Å; L360-L369 HydrophobicContact CD1-CG 3.95Å; L369-H373 HydrophobicContact CB-CB 4.41Å; L369-H373 HydrophobicContact CD2-CB 4.5Å; L369-L374 HydrophobicContact CB-CD2 4.45Å; L369-L374 HydrophobicContact CB-CG 4.39Å; L369-L374 HydrophobicContact CD1-CD2 4.14Å |
| 370 | A | 96.6 | Very high | 96.2 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | trans | -73.2 | 151.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P372 H373 L374 | A370-P372 VanDerWaalsContact C-CD 3.42Å; A370-P372 VanDerWaalsContact C-N 3.33Å; A370-H373 WeakPolarHBondContact O-CB 3.5Å; A370-H373 PolarHBondContact O-N 3.41Å; A370-L374 PolarHBondContact O-N 3.17Å | ||
| 371 | E | 96.1 | Very high | 96.4 | Very high | 107 Ų | 107 | 33.4 Ų | 33.4 | 50% | 0.5 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -53.2 | -38 | -178.8 | -74.7 | -63.6 | 153.3 | 0 | 0 | 114.6 | R357 H373 L374 A375 | R357-E371 IonicContact CZ-OE1 3.89Å; R357-E371 IonicContact CZ-OE2 3.29Å; R357-E371 IonicContact NE-OE1 3.71Å; R357-E371 PolarHBondContact NE-OE1 3.43Å; R357-E371 IonicContact NE-OE2 2.96Å; R357-E371 IonicContact NH2-OE1 3.47Å; R357-E371 PolarHBondContact NH2-OE1 3.17Å; R357-E371 IonicContact NH2-OE2 2.73Å; R357-E371 PolarHBondContact NH2-OE2 3.27Å; E371-H373 VanDerWaalsContact C-N 3.26Å; E371-H373 PolarHBondContact O-N 2.97Å; E371-L374 WeakPolarHBondContact O-CB 3.31Å; E371-L374 PolarHBondContact O-N 2.99Å; E371-L374 VanDerWaalsContact O-N 3.13Å; E371-A375 PolarHBondContact O-N 3.28Å |
| 372 | P | 97.8 | Very high | 96.6 | Very high | 71 Ų | 71 | 36 Ų | 36 | 46% | 0.461 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.9 | -34.4 | 174.1 | -27.9 | 37.1 | 0 | 0 | 0 | 114.2 | P319 A370 A376 | P319-P372 HydrophobicContact CB-CB 3.67Å; P319-P372 HydrophobicContact CG-CB 3.82Å; A370-P372 VanDerWaalsContact C-CD 3.42Å; A370-P372 VanDerWaalsContact C-N 3.33Å; P372-A376 WeakPolarHBondContact O-CB 3.45Å; P372-A376 PolarHBondContact O-N 3.41Å |
| 373 | H | 97.7 | Very high | 97 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.2 | -36.5 | 176.7 | -75.6 | -73.6 | 0 | 0 | 0 | 112.1 | F316 L369 A370 E371 A376 L377 | F316-H373 VanDerWaalsContact C-CE1 3.45Å; F316-H373 HydrophobicContact CD1-CB 4.17Å; F316-H373 AromaticContact CD1-ND1 3.92Å; F316-H373 PolarHBondContact O-CE1 3.48Å; F316-H373 PolarHBondContact O-NE2 3.2Å; L369-H373 HydrophobicContact CB-CB 4.41Å; L369-H373 HydrophobicContact CD2-CB 4.5Å; A370-H373 WeakPolarHBondContact O-CB 3.5Å; A370-H373 PolarHBondContact O-N 3.41Å; E371-H373 VanDerWaalsContact C-N 3.26Å; E371-H373 PolarHBondContact O-N 2.97Å; H373-A376 WeakPolarHBondContact O-CB 3.27Å; H373-A376 PolarHBondContact O-N 3.13Å; H373-L377 PolarHBondContact O-N 3.15Å |
| 374 | L | 96.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 174.3 | -68.3 | 173.5 | 0 | 0 | 0 | 110.6 | S353 M356 R357 L369 A370 E371 A376 L377 | S353-L374 VanDerWaalsContact CB-O 3.24Å; S353-L374 WeakPolarHBondContact CB-O 3.4Å; M356-L374 HydrophobicContact CB-CD2 3.87Å; M356-L374 HydrophobicContact CG-CD2 3.84Å; R357-L374 HydrophobicContact CB-CD1 4.25Å; R357-L374 HydrophobicContact CG-CD1 4.37Å; L369-L374 HydrophobicContact CB-CD2 4.45Å; L369-L374 HydrophobicContact CB-CG 4.39Å; L369-L374 HydrophobicContact CD1-CD2 4.14Å; A370-L374 PolarHBondContact O-N 3.17Å; E371-L374 WeakPolarHBondContact O-CB 3.31Å; E371-L374 PolarHBondContact O-N 2.99Å; E371-L374 VanDerWaalsContact O-N 3.13Å; L374-A376 VanDerWaalsContact C-N 3.31Å; L374-A376 PolarHBondContact O-N 3.38Å; L374-L377 HydrophobicContact CD2-CD1 4.35Å; L374-L377 WeakPolarHBondContact O-CB 3.35Å; L374-L377 PolarHBondContact O-N 2.92Å |
| 375 | A | 97.3 | Very high | 97.2 | Very high | 55 Ų | 55 | 33 Ų | 33 | 46% | 0.455 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.3 | -36.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E371 L377 D378 R379 | E371-A375 PolarHBondContact O-N 3.28Å; A375-L377 VanDerWaalsContact C-N 3.32Å; A375-L377 PolarHBondContact O-N 3.45Å; A375-D378 PolarHBondContact O-N 3.15Å; A375-R379 PolarHBondContact O-N 3.33Å |
| 376 | A | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.8 | -35.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P319 P372 H373 L374 D378 R379 R380 | P319-A376 HydrophobicContact CB-CB 4.45Å; P319-A376 WeakPolarHBondContact O-CB 3.32Å; P372-A376 WeakPolarHBondContact O-CB 3.45Å; P372-A376 PolarHBondContact O-N 3.41Å; H373-A376 WeakPolarHBondContact O-CB 3.27Å; H373-A376 PolarHBondContact O-N 3.13Å; L374-A376 VanDerWaalsContact C-N 3.31Å; L374-A376 PolarHBondContact O-N 3.38Å; A376-D378 PolarHBondContact O-N 2.79Å; A376-R379 PolarHBondContact O-N 2.76Å; A376-R380 WeakPolarHBondContact O-CB 3.43Å; A376-R380 WeakPolarHBondContact O-CD 3.21Å; A376-R380 WeakPolarHBondContact O-CG 3.39Å; A376-R380 PolarHBondContact O-N 2.86Å |
| 377 | L | 97.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.4 | -46.5 | 175.9 | -73.7 | 170.3 | 0 | 0 | 0 | 111.9 | L153 L286 F316 L352 M356 H373 L374 A375 R380 L381 | L153-L377 HydrophobicContact CD2-CD2 4.39Å; L286-L377 HydrophobicContact CB-CD2 4.18Å; L286-L377 WeakPolarHBondContact O-CD2 3.43Å; F316-L377 HydrophobicContact CE1-CD1 4.4Å; F316-L377 HydrophobicContact CE1-CD2 4.04Å; F316-L377 HydrophobicContact CE1-CG 4.31Å; F316-L377 HydrophobicContact CZ-CD2 4.38Å; L352-L377 HydrophobicContact CD2-CB 3.9Å; L352-L377 HydrophobicContact CG-CB 4.13Å; M356-L377 HydrophobicContact CB-CD1 4.28Å; M356-L377 HydrophobicContact CG-CD1 3.94Å; H373-L377 PolarHBondContact O-N 3.15Å; L374-L377 HydrophobicContact CD2-CD1 4.35Å; L374-L377 WeakPolarHBondContact O-CB 3.35Å; L374-L377 PolarHBondContact O-N 2.92Å; A375-L377 VanDerWaalsContact C-N 3.32Å; A375-L377 PolarHBondContact O-N 3.45Å; L377-R380 PolarHBondContact O-N 3.5Å; L377-L381 WeakPolarHBondContact O-CB 3.11Å; L377-L381 PolarHBondContact O-N 3.41Å |
| 378 | D | 97 | Very high | 97.4 | Very high | 27 Ų | 27 | 27.5 Ų | 27.5 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65 | -41.2 | 178.2 | -66.7 | -37.9 | 0 | 0 | 0 | 111.7 | G350 L352 S353 A375 A376 L381 N382 | G350-D378 WeakPolarHBondContact CA-OD2 3.43Å; L352-D378 WeakPolarHBondContact CB-OD1 3.47Å; S353-D378 WeakPolarHBondContact CB-OD2 3.42Å; S353-D378 PolarHBondContact N-OD1 3.45Å; S353-D378 PolarHBondContact OG-OD2 2.74Å; A375-D378 PolarHBondContact O-N 3.15Å; A376-D378 PolarHBondContact O-N 2.79Å; D378-L381 PolarHBondContact O-N 3.12Å; D378-N382 PolarHBondContact O-N 2.93Å; D378-N382 VanDerWaalsContact O-N 3.12Å; D378-N382 PolarHBondContact O-ND2 2.97Å |
| 379 | R | 97.9 | Very high | 97.4 | Very high | 103 Ų | 103 | 32.4 Ų | 32.4 | 39% | 0.389 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 177 | -172.6 | 179.7 | 66.8 | -119.2 | -5.1 | 111.4 | P319 D322 A375 A376 N382 G383 | P319-R379 PolarHBondContact O-NH1 3.22Å; P319-R379 PolarHBondContact O-NH2 2.88Å; D322-R379 IonicContact OD1-CZ 3.33Å; D322-R379 IonicContact OD1-NE 2.77Å; D322-R379 IonicContact OD1-NH2 3.38Å; D322-R379 PolarHBondContact OD1-NH2 2.9Å; D322-R379 IonicContact OD2-CZ 2.82Å; D322-R379 IonicContact OD2-NE 3.23Å; D322-R379 PolarHBondContact OD2-NE 3.45Å; D322-R379 IonicContact OD2-NH2 2.94Å; D322-R379 PolarHBondContact OD2-NH2 3.06Å; A375-R379 PolarHBondContact O-N 3.33Å; A376-R379 PolarHBondContact O-N 2.76Å; R379-N382 WeakPolarHBondContact O-CB 3.07Å; R379-N382 PolarHBondContact O-N 3.42Å; R379-G383 PolarHBondContact O-N 3.05Å; R379-G383 VanDerWaalsContact O-N 3.15Å |
| 380 | R | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -40.1 | 177 | -70.4 | 165.1 | -176.4 | -179.9 | -1.7 | 111.4 | Y285 L286 I287 N318 L321 D322 A376 L377 N382 G383 V384 | Y285-R380 HydrophobicContact CD1-CB 4.19Å; Y285-R380 HydrophobicContact CE1-CB 3.78Å; Y285-R380 HydrophobicContact CE1-CG 4.2Å; Y285-R380 WeakPolarHBondContact CE1-O 3.17Å; Y285-R380 WeakPolarHBondContact O-CD 3.27Å; L286-R380 HydrophobicContact CD2-CB 4.06Å; L286-R380 WeakPolarHBondContact O-CD 3.27Å; L286-R380 PolarHBondContact O-NH1 3.46Å; I287-R380 PolarHBondContact O-NH1 3.43Å; N318-R380 PolarHBondContact O-NH2 3.3Å; L321-R380 PolarHBondContact O-NH2 2.95Å; D322-R380 HydrophobicContact CB-CG 4.3Å; D322-R380 VanDerWaalsContact OD1-CG 3.23Å; D322-R380 WeakPolarHBondContact OD1-CG 3.34Å; D322-R380 IonicContact OD1-CZ 2.95Å; D322-R380 IonicContact OD1-NE 2.97Å; D322-R380 PolarHBondContact OD1-NE 3.44Å; D322-R380 IonicContact OD1-NH2 3.8Å; A376-R380 WeakPolarHBondContact O-CB 3.43Å; A376-R380 WeakPolarHBondContact O-CD 3.21Å; A376-R380 WeakPolarHBondContact O-CG 3.39Å; A376-R380 PolarHBondContact O-N 2.86Å; L377-R380 PolarHBondContact O-N 3.5Å; R380-N382 VanDerWaalsContact C-N 3.28Å; R380-N382 PolarHBondContact O-N 3.43Å; R380-G383 CarbonylContact O-C 3.59Å; R380-G383 WeakPolarHBondContact O-CA 3.22Å; R380-G383 PolarHBondContact O-N 2.93Å; R380-V384 PolarHBondContact O-N 2.92Å |
| 381 | L | 97.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.6 | -45.4 | 174.1 | 176.4 | 61 | 0 | 0 | 0 | 111.2 | L286 L344 L347 L352 L377 D378 G383 V384 I385 | L286-L381 HydrophobicContact CD2-CB 4.03Å; L344-L381 HydrophobicContact CB-CD1 4.03Å; L344-L381 HydrophobicContact CD2-CD1 3.63Å; L344-L381 HydrophobicContact CG-CD1 4.4Å; L347-L381 VanDerWaalsContact C-CD2 3.42Å; L347-L381 HydrophobicContact CB-CD2 3.58Å; L347-L381 WeakPolarHBondContact O-CD2 3.27Å; L352-L381 HydrophobicContact CB-CD2 4.1Å; L352-L381 HydrophobicContact CD2-CB 4.05Å; L352-L381 HydrophobicContact CD2-CD2 4.06Å; L377-L381 WeakPolarHBondContact O-CB 3.11Å; L377-L381 PolarHBondContact O-N 3.41Å; D378-L381 PolarHBondContact O-N 3.12Å; L381-G383 VanDerWaalsContact C-N 3.28Å; L381-G383 PolarHBondContact O-N 3.47Å; L381-V384 PolarHBondContact O-N 3.16Å; L381-I385 HydrophobicContact CD1-CD1 3.94Å; L381-I385 HydrophobicContact CD1-CG1 4.41Å; L381-I385 HydrophobicContact CG-CD1 3.77Å; L381-I385 VanDerWaalsContact O-CD1 3.3Å; L381-I385 WeakPolarHBondContact O-CD1 3.42Å; L381-I385 WeakPolarHBondContact O-CG1 3.05Å; L381-I385 PolarHBondContact O-N 3.24Å |
| 382 | N | 97.5 | Very high | 97.6 | Very high | 89 Ų | 89 | 33.6 Ų | 33.6 | 48% | 0.476 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60 | -38.3 | 174.3 | -68.4 | -33.8 | 0 | 0 | 0 | 112.3 | D378 R379 R380 I385 A386 | D378-N382 PolarHBondContact O-N 2.93Å; D378-N382 VanDerWaalsContact O-N 3.12Å; D378-N382 PolarHBondContact O-ND2 2.97Å; R379-N382 WeakPolarHBondContact O-CB 3.07Å; R379-N382 PolarHBondContact O-N 3.42Å; R380-N382 VanDerWaalsContact C-N 3.28Å; R380-N382 PolarHBondContact O-N 3.43Å; N382-I385 PolarHBondContact O-N 3.11Å; N382-A386 WeakPolarHBondContact O-CB 3.41Å; N382-A386 PolarHBondContact O-N 3.09Å |
| 383 | G | 97.8 | Very high | 97.5 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.6 | -49.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | R379 R380 L381 I385 A386 T387 | R379-G383 PolarHBondContact O-N 3.05Å; R379-G383 VanDerWaalsContact O-N 3.15Å; R380-G383 CarbonylContact O-C 3.59Å; R380-G383 WeakPolarHBondContact O-CA 3.22Å; R380-G383 PolarHBondContact O-N 2.93Å; L381-G383 VanDerWaalsContact C-N 3.28Å; L381-G383 PolarHBondContact O-N 3.47Å; G383-I385 PolarHBondContact O-N 3.31Å; G383-A386 PolarHBondContact O-N 2.77Å; G383-T387 PolarHBondContact O-N 3.31Å; G383-T387 PolarHBondContact O-OG1 3.12Å; G383-T387 VanDerWaalsContact O-OG1 3.13Å |
| 384 | V | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.4 | -49.1 | 176.4 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | V282 Y285 L286 L327 L330 L344 R380 L381 A386 T387 V388 | V282-V384 HydrophobicContact CG1-CG1 3.96Å; V282-V384 HydrophobicContact CG1-CG2 4.3Å; V282-V384 HydrophobicContact CG2-CG1 3.96Å; Y285-V384 HydrophobicContact CD1-CG2 3.49Å; Y285-V384 VanDerWaalsContact CD1-CG2 3.49Å; Y285-V384 HydrophobicContact CE1-CG2 3.87Å; L286-V384 HydrophobicContact CD2-CG2 4.37Å; L327-V384 HydrophobicContact CD1-CG2 4.3Å; L327-V384 HydrophobicContact CD2-CG2 4.23Å; L330-V384 HydrophobicContact CD2-CG1 4.13Å; L344-V384 HydrophobicContact CD1-CG1 3.88Å; R380-V384 PolarHBondContact O-N 2.92Å; L381-V384 PolarHBondContact O-N 3.16Å; V384-A386 VanDerWaalsContact C-N 3.3Å; V384-A386 PolarHBondContact O-N 3Å; V384-T387 WeakPolarHBondContact O-CB 3.25Å; V384-T387 PolarHBondContact O-N 3.19Å; V384-V388 WeakPolarHBondContact O-CG2 3.32Å; V384-V388 PolarHBondContact O-N 3.18Å |
| 385 | I | 97.5 | Very high | 97.3 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | -179.3 | -69.8 | 150.7 | 0 | 0 | 0 | 111.1 | W341 K348 L381 N382 G383 T387 V388 K389 | W341-I385 HydrophobicContact CH2-CG2 4.06Å; W341-I385 HydrophobicContact CZ3-CB 4.46Å; W341-I385 HydrophobicContact CZ3-CG1 4.38Å; W341-I385 HydrophobicContact CZ3-CG2 4.24Å; K348-I385 HydrophobicContact CD-CD1 3.84Å; K348-I385 HydrophobicContact CG-CD1 3.43Å; K348-I385 VanDerWaalsContact CG-CD1 3.43Å; L381-I385 HydrophobicContact CD1-CD1 3.94Å; L381-I385 HydrophobicContact CD1-CG1 4.41Å; L381-I385 HydrophobicContact CG-CD1 3.77Å; L381-I385 VanDerWaalsContact O-CD1 3.3Å; L381-I385 WeakPolarHBondContact O-CD1 3.42Å; L381-I385 WeakPolarHBondContact O-CG1 3.05Å; L381-I385 PolarHBondContact O-N 3.24Å; N382-I385 PolarHBondContact O-N 3.11Å; G383-I385 PolarHBondContact O-N 3.31Å; I385-T387 VanDerWaalsContact C-N 3.34Å; I385-V388 PolarHBondContact O-N 2.83Å; I385-K389 HydrophobicContact CG2-CD 4.26Å; I385-K389 WeakPolarHBondContact O-CG 3.5Å; I385-K389 PolarHBondContact O-N 3.43Å |
| 386 | A | 97.8 | Very high | 97.2 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 36% | 0.355 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | N382 G383 V384 K389 Q390 | N382-A386 WeakPolarHBondContact O-CB 3.41Å; N382-A386 PolarHBondContact O-N 3.09Å; G383-A386 PolarHBondContact O-N 2.77Å; V384-A386 VanDerWaalsContact C-N 3.3Å; V384-A386 PolarHBondContact O-N 3Å; A386-K389 PolarHBondContact O-N 2.94Å; A386-Q390 VanDerWaalsContact O-CG 3.31Å; A386-Q390 WeakPolarHBondContact O-CG 3.38Å; A386-Q390 PolarHBondContact O-N 2.06Å |
| 387 | T | 98.1 | Very high | 96.9 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 175.6 | -59.4 | 0 | 0 | 0 | 0 | 112.3 | L330 G383 V384 I385 K389 Q390 C391 | L330-T387 HydrophobicContact CD2-CG2 3.84Å; L330-T387 HydrophobicContact CG-CG2 3.99Å; G383-T387 PolarHBondContact O-N 3.31Å; G383-T387 PolarHBondContact O-OG1 3.12Å; G383-T387 VanDerWaalsContact O-OG1 3.13Å; V384-T387 WeakPolarHBondContact O-CB 3.25Å; V384-T387 PolarHBondContact O-N 3.19Å; I385-T387 VanDerWaalsContact C-N 3.34Å; T387-K389 VanDerWaalsContact C-N 3.35Å; T387-K389 PolarHBondContact O-N 2.88Å; T387-Q390 WeakPolarHBondContact O-CB 3.37Å; T387-Q390 PolarHBondContact O-N 2.97Å; T387-C391 PolarHBondContact O-N 2.52Å |
| 388 | V | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 177.2 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | L330 I336 W341 V384 I385 Q390 C391 M392 T400 L401 | L330-V388 HydrophobicContact CD1-CG2 4.19Å; L330-V388 HydrophobicContact CD2-CG2 3.98Å; I336-V388 HydrophobicContact CD1-CG2 4Å; I336-V388 HydrophobicContact CG2-CG1 3.92Å; I336-V388 HydrophobicContact CG2-CG2 4.29Å; W341-V388 HydrophobicContact CD2-CG1 4.19Å; W341-V388 HydrophobicContact CE3-CB 3.9Å; W341-V388 HydrophobicContact CE3-CG1 3.56Å; W341-V388 HydrophobicContact CE3-CG2 4.07Å; W341-V388 HydrophobicContact CH2-CB 4.31Å; W341-V388 HydrophobicContact CH2-CG1 4.17Å; W341-V388 HydrophobicContact CZ3-CB 3.53Å; W341-V388 HydrophobicContact CZ3-CG1 3.56Å; W341-V388 HydrophobicContact CZ3-CG2 4.03Å; V384-V388 WeakPolarHBondContact O-CG2 3.32Å; V384-V388 PolarHBondContact O-N 3.18Å; I385-V388 PolarHBondContact O-N 2.83Å; V388-Q390 VanDerWaalsContact C-N 3.33Å; V388-Q390 PolarHBondContact O-N 2.83Å; V388-C391 WeakPolarHBondContact O-CB 3.37Å; V388-C391 PolarHBondContact O-N 3.03Å; V388-C391 VanDerWaalsContact O-N 3.14Å; V388-M392 HydrophobicContact CG1-CG 4.34Å; V388-M392 HydrophobicContact CG1-SD 4.17Å; V388-M392 WeakPolarHBondContact O-CG 3.4Å; V388-M392 PolarHBondContact O-N 2.59Å; V388-T400 HydrophobicContact CG1-CG2 4.12Å; V388-L401 HydrophobicContact CG1-CD2 4.44Å |
| 389 | K | 97.2 | Very high | 96.3 | Very high | 103 Ų | 103 | 57.4 Ų | 57.4 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 176.7 | -75.4 | 179.9 | 174.4 | -171.9 | 0 | 112.3 | W341 I385 A386 T387 C391 M392 E393 | W341-K389 HydrophobicContact CH2-CG 4.18Å; I385-K389 HydrophobicContact CG2-CD 4.26Å; I385-K389 WeakPolarHBondContact O-CG 3.5Å; I385-K389 PolarHBondContact O-N 3.43Å; A386-K389 PolarHBondContact O-N 2.94Å; T387-K389 VanDerWaalsContact C-N 3.35Å; T387-K389 PolarHBondContact O-N 2.88Å; K389-C391 VanDerWaalsContact C-N 3.3Å; K389-C391 PolarHBondContact O-N 3.21Å; K389-M392 WeakPolarHBondContact O-CB 3.47Å; K389-M392 PolarHBondContact O-N 3.42Å; K389-M392 VanDerWaalsContact O-N 3.17Å; K389-E393 WeakPolarHBondContact O-CG 3.48Å; K389-E393 PolarHBondContact O-N 3.38Å |
| 390 | Q | 97.4 | Very high | 96.1 | Very high | 104 Ų | 104 | 52.5 Ų | 52.5 | 49% | 0.486 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 174.6 | -73.1 | 168.9 | 3 | 0 | 0 | 111.7 | A386 T387 V388 E393 A394 | A386-Q390 VanDerWaalsContact O-CG 3.31Å; A386-Q390 WeakPolarHBondContact O-CG 3.38Å; A386-Q390 PolarHBondContact O-N 2.06Å; T387-Q390 WeakPolarHBondContact O-CB 3.37Å; T387-Q390 PolarHBondContact O-N 2.97Å; V388-Q390 VanDerWaalsContact C-N 3.33Å; V388-Q390 PolarHBondContact O-N 2.83Å; Q390-E393 PolarHBondContact O-N 2.89Å; Q390-A394 WeakPolarHBondContact O-CB 3.46Å; Q390-A394 PolarHBondContact O-N 3.42Å |
| 391 | C | 97.4 | Very high | 96 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 173.8 | -74.7 | 0 | 0 | 0 | 0 | 112.6 | C334 T387 V388 K389 E393 A394 Q395 T400 | C334-C391 WeakPolarHBondContact CA-SG 3.37Å; C334-C391 HydrophobicContact CB-CB 3.52Å; C334-C391 WeakPolarHBondContact CB-SG 3.35Å; C334-C391 VanDerWaalsContact SG-CA 3.59Å; C334-C391 WeakPolarHBondContact SG-CB 3.31Å; C334-C391 CovalentContact SG-SG 2.06Å; C334-C391 PolarHBondContact SG-SG 2.97Å; T387-C391 PolarHBondContact O-N 2.52Å; V388-C391 WeakPolarHBondContact O-CB 3.37Å; V388-C391 PolarHBondContact O-N 3.03Å; V388-C391 VanDerWaalsContact O-N 3.14Å; K389-C391 VanDerWaalsContact C-N 3.3Å; K389-C391 PolarHBondContact O-N 3.21Å; C391-E393 VanDerWaalsContact C-N 3.31Å; C391-E393 PolarHBondContact O-N 3.17Å; C391-A394 PolarHBondContact O-N 3.06Å; C391-Q395 PolarHBondContact O-N 2.97Å; C391-T400 HydrophobicContact CB-CG2 3.82Å; C391-T400 PolarHBondContact O-OG1 3.25Å |
| 392 | M | 97.4 | Very high | 95.8 | Very high | 47 Ų | 47 | 56.5 Ų | 56.5 | 23% | 0.232 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 175.9 | -66.1 | 173.3 | 73.9 | 0 | 0 | 112.1 | W341 V388 K389 G396 P397 T400 L401 | W341-M392 HydrophobicContact CZ2-SD 4.33Å; V388-M392 HydrophobicContact CG1-CG 4.34Å; V388-M392 HydrophobicContact CG1-SD 4.17Å; V388-M392 WeakPolarHBondContact O-CG 3.4Å; V388-M392 PolarHBondContact O-N 2.59Å; K389-M392 WeakPolarHBondContact O-CB 3.47Å; K389-M392 PolarHBondContact O-N 3.42Å; K389-M392 VanDerWaalsContact O-N 3.17Å; M392-G396 CarbonylContact O-C 3.47Å; M392-G396 WeakPolarHBondContact O-CA 3.24Å; M392-G396 PolarHBondContact O-N 3.29Å; M392-P397 HydrophobicContact CE-CB 3.71Å; M392-T400 HydrophobicContact CG-CG2 3.83Å; M392-T400 PolarHBondContact N-OG1 2.94Å; M392-L401 HydrophobicContact CE-CD1 3.98Å |
| 393 | E | 97.3 | Very high | 95.3 | Very high | 161 Ų | 161 | 58.2 Ų | 58.2 | 75% | 0.752 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -68 | -37.8 | 175.3 | -73.1 | 169 | -170 | 0 | 0 | 111.9 | K389 Q390 C391 | K389-E393 WeakPolarHBondContact O-CG 3.48Å; K389-E393 PolarHBondContact O-N 3.38Å; Q390-E393 PolarHBondContact O-N 2.89Å; C391-E393 VanDerWaalsContact C-N 3.31Å; C391-E393 PolarHBondContact O-N 3.17Å |
| 394 | A | 95.3 | Very high | 93.9 | Very high | 81 Ų | 81 | 59.5 Ų | 59.5 | 67% | 0.669 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -78.9 | -39.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | Q390 C391 | Q390-A394 WeakPolarHBondContact O-CB 3.46Å; Q390-A394 PolarHBondContact O-N 3.42Å; C391-A394 PolarHBondContact O-N 3.06Å |
| 395 | Q | 94.7 | Very high | 91.9 | Very high | 86 Ų | 86 | 68.7 Ų | 68.7 | 40% | 0.402 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -121.2 | -6.9 | -170.3 | -57.9 | -174.2 | 7.5 | 0 | 0 | 113.9 | C391 N399 | C391-Q395 PolarHBondContact O-N 2.97Å; Q395-N399 HydrophobicContact CB-CB 4.38Å; Q395-N399 PolarHBondContact O-ND2 3.45Å |
| 396 | G | 94.6 | Very high | 89.7 | Confident | 24 Ų | 24 | 71.5 Ų | 71.5 | 25% | 0.247 | 37% | 0.372 | C | S | . | . | trans | 89.4 | 153.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M392 D398 N399 T400 | M392-G396 CarbonylContact O-C 3.47Å; M392-G396 WeakPolarHBondContact O-CA 3.24Å; M392-G396 PolarHBondContact O-N 3.29Å; G396-D398 PolarHBondContact O-N 3.19Å; G396-N399 PolarHBondContact O-N 2.95Å; G396-T400 PolarHBondContact O-N 3.02Å; G396-T400 PolarHBondContact O-OG1 2.92Å | ||
| 397 | P | 92.5 | Very high | 87 | Confident | 63 Ų | 63 | 76.9 Ų | 76.9 | 41% | 0.409 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | -176.5 | 25.6 | -34.6 | 0 | 0 | 0 | 112.7 | M392 N399 T400 L401 | M392-P397 HydrophobicContact CE-CB 3.71Å; P397-N399 VanDerWaalsContact C-N 3.29Å; P397-N399 PolarHBondContact O-N 2.81Å; P397-T400 PolarHBondContact O-N 3.36Å; P397-T400 VanDerWaalsContact O-N 3.17Å; P397-L401 WeakPolarHBondContact O-CB 3.37Å; P397-L401 PolarHBondContact O-N 2.66Å |
| 398 | D | 90.4 | Very high | 84.1 | Confident | 142 Ų | 142 | 80.5 Ų | 80.5 | 76% | 0.759 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -68.1 | -29.4 | -176.1 | -60.4 | -24 | 0 | 0 | 0 | 112.6 | G396 | G396-D398 PolarHBondContact O-N 3.19Å |
| 399 | N | 90.9 | Very high | 80.9 | Confident | 109 Ų | 109 | 86.2 Ų | 86.2 | 58% | 0.583 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -84.6 | -21.7 | 176.3 | -65.7 | -39.9 | 0 | 0 | 0 | 112.4 | Q395 G396 P397 | Q395-N399 HydrophobicContact CB-CB 4.38Å; Q395-N399 PolarHBondContact O-ND2 3.45Å; G396-N399 PolarHBondContact O-N 2.95Å; P397-N399 VanDerWaalsContact C-N 3.29Å; P397-N399 PolarHBondContact O-N 2.81Å |
| 400 | T | 94.2 | Very high | 77.6 | Confident | 1 Ų | 1 | 89.3 Ų | 89.3 | 1% | 0.006 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -91.9 | -39.5 | -178.5 | -55 | 0 | 0 | 0 | 0 | 112.1 | C334 M335 I336 V388 C391 M392 G396 P397 | C334-T400 VanDerWaalsContact O-CA 3.31Å; C334-T400 WeakPolarHBondContact O-CA 3.34Å; M335-T400 CarbonylContact C-O 3.6Å; M335-T400 VanDerWaalsContact CA-O 3.3Å; M335-T400 WeakPolarHBondContact CA-O 3.27Å; I336-T400 HydrophobicContact CG2-CG2 4.5Å; I336-T400 PolarHBondContact N-O 3.11Å; V388-T400 HydrophobicContact CG1-CG2 4.12Å; C391-T400 HydrophobicContact CB-CG2 3.82Å; C391-T400 PolarHBondContact O-OG1 3.25Å; M392-T400 HydrophobicContact CG-CG2 3.83Å; M392-T400 PolarHBondContact N-OG1 2.94Å; G396-T400 PolarHBondContact O-N 3.02Å; G396-T400 PolarHBondContact O-OG1 2.92Å; P397-T400 PolarHBondContact O-N 3.36Å; P397-T400 VanDerWaalsContact O-N 3.17Å |
| 401 | L | 94.8 | Very high | 74.6 | Confident | 38 Ų | 38 | 93.8 Ų | 93.8 | 20% | 0.199 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 102.1 | -175.4 | -60.5 | -178.4 | 0 | 0 | 0 | 110.1 | I336 V338 W341 V388 M392 P397 | I336-L401 HydrophobicContact CG2-CD2 3.73Å; V338-L401 HydrophobicContact CG2-CB 3.88Å; W341-L401 HydrophobicContact CB-CD2 3.89Å; W341-L401 HydrophobicContact CD2-CD2 4.3Å; W341-L401 HydrophobicContact CG-CD2 3.74Å; V388-L401 HydrophobicContact CG1-CD2 4.44Å; M392-L401 HydrophobicContact CE-CD1 3.98Å; P397-L401 WeakPolarHBondContact O-CB 3.37Å; P397-L401 PolarHBondContact O-N 2.66Å |
| 402 | I | 93.6 | Very high | 73.5 | Confident | 51 Ų | 51 | 98.3 Ų | 98.3 | 26% | 0.262 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 120.5 | -174.9 | -50.8 | -56.1 | 0 | 0 | 0 | 110.3 | L275 M335 I336 R337 V338 D404 | L275-I402 HydrophobicContact CD1-CB 4.26Å; L275-I402 HydrophobicContact CD1-CG2 3.95Å; L275-I402 HydrophobicContact CD2-CB 4.24Å; L275-I402 HydrophobicContact CD2-CG1 4.28Å; M335-I402 HydrophobicContact CB-CG1 4.02Å; M335-I402 HydrophobicContact CE-CG1 4.27Å; I336-I402 PolarHBondContact O-N 3.33Å; R337-I402 WeakPolarHBondContact CA-O 3.14Å; V338-I402 PolarHBondContact N-O 3.1Å; I402-D404 PolarHBondContact O-N 3.02Å |
| 403 | E | 86.7 | Confident | 72.2 | Confident | 124 Ų | 124 | 100.9 Ų | 100.9 | 58% | 0.579 | 54% | 0.543 | S | S | * | . | trans | -73.6 | 105.4 | 167 | -77.6 | -164.5 | 178 | 0 | 0 | 109.4 | V338 R405 | V338-E403 HydrophobicContact CG2-CG 4.11Å; E403-R405 PolarHBondContact O-N 3.19Å; E403-R405 VanDerWaalsContact O-N 3.13Å; E403-R405 IonicContact OE2-CZ 2.8Å; E403-R405 IonicContact OE2-NE 2.69Å; E403-R405 PolarHBondContact OE2-NE 3Å; E403-R405 IonicContact OE2-NH2 3.1Å; E403-R405 PolarHBondContact OE2-NH2 3.04Å | ||
| 404 | D | 69.3 | Low | 70.8 | Confident | 50 Ų | 50 | 97.6 Ų | 97.6 | 27% | 0.267 | 53% | 0.532 | S | S | . | . | trans | -84.3 | 86.9 | 171.3 | -163.2 | 1 | 0 | 0 | 0 | 109 | L275 R337 I402 M406 | L275-D404 HydrophobicContact CD1-CB 4.37Å; R337-D404 HydrophobicContact CG-CB 3.89Å; R337-D404 IonicContact CZ-OD2 3.69Å; R337-D404 VanDerWaalsContact CZ-OD2 3.23Å; R337-D404 VanDerWaalsContact NE-CB 3.26Å; R337-D404 IonicContact NE-OD2 3.67Å; R337-D404 PolarHBondContact NE-OD2 3.27Å; R337-D404 IonicContact NH2-OD2 2.79Å; R337-D404 PolarHBondContact NH2-OD2 3.34Å; I402-D404 PolarHBondContact O-N 3.02Å; D404-M406 PolarHBondContact O-N 3.23Å; D404-M406 VanDerWaalsContact OD1-CG 3.23Å; D404-M406 WeakPolarHBondContact OD1-CG 3.5Å | ||
| 405 | R | 54.6 | Low | 69.4 | Low | 193 Ų | 193 | 98.6 Ų | 98.6 | 73% | 0.728 | 52% | 0.524 | S | S | * | . | trans | -79.4 | 71.5 | 168 | -64.3 | -174.2 | -171.4 | -174 | 2.7 | 108.6 | E403 N407 | E403-R405 PolarHBondContact O-N 3.19Å; E403-R405 VanDerWaalsContact O-N 3.13Å; E403-R405 IonicContact OE2-CZ 2.8Å; E403-R405 IonicContact OE2-NE 2.69Å; E403-R405 PolarHBondContact OE2-NE 3Å; E403-R405 IonicContact OE2-NH2 3.1Å; E403-R405 PolarHBondContact OE2-NH2 3.04Å; R405-N407 VanDerWaalsContact C-N 3.33Å; R405-N407 PolarHBondContact O-N 3.22Å | ||
| 406 | M | 52.8 | Low | 67.8 | Low | 66 Ų | 66 | 99.4 Ų | 99.4 | 33% | 0.325 | 53% | 0.531 | S | S | . | . | trans | -66.8 | 101.2 | 163.6 | -68.8 | -161.4 | -63 | 0 | 0 | 107.5 | R74 P272 D404 L408 | R74-M406 HydrophobicContact CG-CE 4.17Å; P272-M406 HydrophobicContact CB-SD 4.08Å; P272-M406 HydrophobicContact CG-SD 4.07Å; D404-M406 PolarHBondContact O-N 3.23Å; D404-M406 VanDerWaalsContact OD1-CG 3.23Å; D404-M406 WeakPolarHBondContact OD1-CG 3.5Å; M406-L408 HydrophobicContact CB-CD2 4.41Å; M406-L408 HydrophobicContact CB-CG 4.17Å; M406-L408 PolarHBondContact O-N 3.12Å | ||
| 407 | N | 39.6 | Very low | 66 | Low | 157 Ų | 157 | 104.4 Ų | 104.4 | 84% | 0.84 | 55% | 0.55 | S | S | * | * | trans | -67.3 | 80 | 158.2 | -75 | -20.1 | 0 | 0 | 0 | 106.4 | R405 P409 | R405-N407 VanDerWaalsContact C-N 3.33Å; R405-N407 PolarHBondContact O-N 3.22Å; N407-P409 VanDerWaalsContact O-CD 3.25Å; N407-P409 WeakPolarHBondContact O-CD 3.35Å | ||
| 408 | L | 38.3 | Very low | 64.2 | Low | 85 Ų | 85 | 107.4 Ų | 107.4 | 45% | 0.445 | 56% | 0.56 | S | S | . | * | trans | -64.4 | 119.7 | 167.3 | -67 | 171.7 | 0 | 0 | 0 | 105.9 | R74 M406 H410 | R74-L408 HydrophobicContact CG-CD2 4.02Å; M406-L408 HydrophobicContact CB-CD2 4.41Å; M406-L408 HydrophobicContact CB-CG 4.17Å; M406-L408 PolarHBondContact O-N 3.12Å; L408-H410 VanDerWaalsContact C-N 3.32Å; L408-H410 PolarHBondContact O-N 3.42Å | ||
| 409 | P | 29.2 | Very low | 62.1 | Low | 121 Ų | 121 | 104.7 Ų | 104.7 | 79% | 0.786 | 55% | 0.545 | S | S | * | . | trans | -60.7 | 108 | 161.5 | 25.6 | -27.8 | 0 | 0 | 0 | 105 | N407 | N407-P409 VanDerWaalsContact O-CD 3.25Å; N407-P409 WeakPolarHBondContact O-CD 3.35Å | ||
| 410 | H | 28.7 | Very low | 59.7 | Low | 168 Ų | 168 | 104.3 Ų | 104.3 | 78% | 0.778 | 54% | 0.542 | S | S | * | . | trans | -54.9 | 135.8 | 167.6 | -70.9 | -60.9 | 0 | 0 | 0 | 107.5 | L408 | L408-H410 VanDerWaalsContact C-N 3.32Å; L408-H410 PolarHBondContact O-N 3.42Å | ||
| 411 | P | 35.1 | Very low | 56.6 | Low | 198 Ų | 198 | 113.7 Ų | 113.7 | 100% | 1.286 | 59% | 0.59 | S | S | * | * | trans | -59.6 | 0 | 165.7 | 25.5 | -31.3 | 0 | 0 | 0 | 111.3 |
Retrieved 411 of 411 residues in 106.1 ms
(Link to these results)