| 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 | 50.2 | Low | 50.6 | Low | 242 Ų | 242 | 165.5 Ų | 165.5 | 100% | 1.192 | 75% | 0.749 | S | S | * | * | 0 | 95.7 | 0 | -74.7 | 169.1 | 168.6 | 0 | 0 | 110.5 | |||||
| 2 | R | 48 | Very low | 51.6 | Low | 238 Ų | 238 | 160.9 Ų | 160.9 | 90% | 0.898 | 73% | 0.734 | S | S | * | * | trans | -163.2 | -10.5 | 168.4 | -114.8 | 171.5 | -174.8 | -174.8 | 1.3 | 115.5 | ||||
| 3 | R | 43.6 | Very low | 52.7 | Low | 234 Ų | 234 | 151.2 Ų | 151.2 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -15.8 | -179.7 | -113.2 | 177.6 | 177.7 | -179.4 | -0.7 | 115.8 | ||
| 4 | R | 44.8 | Very low | 53.7 | Low | 230 Ų | 230 | 146.5 Ų | 146.5 | 87% | 0.868 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -16.7 | -175.9 | -131.8 | 176.7 | -175 | -177 | 1.3 | 114.4 | ||
| 5 | S | 48.5 | Very low | 54.3 | Low | 78 Ų | 78 | 143.3 Ų | 143.3 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -84.6 | -38.9 | -178.9 | 177.4 | 0 | 0 | 0 | 0 | 113 | K7 K8 N9 | S5-K7 VanDerWaalsContact C-N 3.34Å; S5-K7 PolarHBondContact O-N 3.24Å; S5-K8 PolarHBondContact O-N 3.24Å; S5-N9 PolarHBondContact O-N 3.17Å |
| 6 | R | 49 | Very low | 55 | Low | 213 Ų | 213 | 140.8 Ų | 140.8 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -63.5 | -32.1 | 179.3 | -80.9 | -173.1 | 177.6 | -179.7 | -0.8 | 114.4 | A10 | R6-A10 PolarHBondContact O-N 3.37Å |
| 7 | K | 49.6 | Very low | 55.4 | Low | 166 Ų | 166 | 139.2 Ų | 139.2 | 72% | 0.722 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.1 | -33.5 | 178.3 | -76.5 | -169.6 | 175.3 | -171.7 | 0 | 112.9 | S5 V11 | S5-K7 VanDerWaalsContact C-N 3.34Å; S5-K7 PolarHBondContact O-N 3.24Å; K7-V11 VanDerWaalsContact O-CG2 3.26Å; K7-V11 WeakPolarHBondContact O-CG2 3.49Å; K7-V11 PolarHBondContact O-N 2.7Å |
| 8 | K | 50.6 | Low | 55.9 | Low | 161 Ų | 161 | 136.8 Ų | 136.8 | 70% | 0.7 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.3 | -38.3 | 177.3 | -74.1 | -171.4 | 172.8 | -170.8 | 0 | 111.8 | S5 V11 L12 | S5-K8 PolarHBondContact O-N 3.24Å; K8-V11 PolarHBondContact O-N 3.46Å; K8-L12 WeakPolarHBondContact O-CB 3.46Å; K8-L12 PolarHBondContact O-N 3.33Å |
| 9 | N | 50.8 | Low | 56.2 | Low | 110 Ų | 110 | 133.4 Ų | 133.4 | 59% | 0.588 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73 | -32.5 | 178.9 | -64.7 | 0.9 | 0 | 0 | 0 | 112.6 | S5 G13 | S5-N9 PolarHBondContact O-N 3.17Å; N9-G13 PolarHBondContact O-N 3.45Å |
| 10 | A | 57.6 | Low | 56.6 | Low | 61 Ų | 61 | 130.5 Ų | 130.5 | 50% | 0.504 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.2 | -41.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R6 G13 V14 | R6-A10 PolarHBondContact O-N 3.37Å; A10-G13 PolarHBondContact O-N 3.48Å; A10-V14 WeakPolarHBondContact O-CG2 3.32Å; A10-V14 PolarHBondContact O-N 3.07Å |
| 11 | V | 63.4 | Low | 56.5 | Low | 88 Ų | 88 | 128.6 Ų | 128.6 | 53% | 0.533 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.7 | -39.4 | 177.1 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | K7 K8 V14 L15 | K7-V11 VanDerWaalsContact O-CG2 3.26Å; K7-V11 WeakPolarHBondContact O-CG2 3.49Å; K7-V11 PolarHBondContact O-N 2.7Å; K8-V11 PolarHBondContact O-N 3.46Å; V11-V14 PolarHBondContact O-N 3.02Å; V11-L15 HydrophobicContact CG1-CD1 3.94Å; V11-L15 WeakPolarHBondContact O-CB 3.2Å; V11-L15 PolarHBondContact O-N 2.98Å |
| 12 | L | 63 | Low | 56.9 | Low | 110 Ų | 110 | 124.3 Ų | 124.3 | 58% | 0.576 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67 | -38.1 | 176.2 | -153 | 76.8 | 0 | 0 | 0 | 112.1 | K8 L15 L16 | K8-L12 WeakPolarHBondContact O-CB 3.46Å; K8-L12 PolarHBondContact O-N 3.33Å; L12-L15 PolarHBondContact O-N 2.71Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 PolarHBondContact O-N 3.43Å |
| 13 | G | 65.8 | Low | 57.3 | Low | 34 Ų | 34 | 121.6 Ų | 121.6 | 35% | 0.351 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.6 | -39 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N9 A10 L17 | N9-G13 PolarHBondContact O-N 3.45Å; A10-G13 PolarHBondContact O-N 3.48Å; G13-L17 WeakPolarHBondContact O-CB 3.41Å; G13-L17 PolarHBondContact O-N 3.43Å |
| 14 | V | 66.8 | Low | 57.6 | Low | 86 Ų | 86 | 116.4 Ų | 116.4 | 52% | 0.521 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.2 | -41.3 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | A10 V11 L17 I18 | A10-V14 WeakPolarHBondContact O-CG2 3.32Å; A10-V14 PolarHBondContact O-N 3.07Å; V11-V14 PolarHBondContact O-N 3.02Å; V14-L17 PolarHBondContact O-N 3.23Å; V14-I18 HydrophobicContact CG1-CD1 3.76Å; V14-I18 HydrophobicContact CG1-CG1 4.43Å; V14-I18 VanDerWaalsContact O-CG1 3.26Å; V14-I18 WeakPolarHBondContact O-CG1 3.35Å; V14-I18 PolarHBondContact O-N 2.67Å |
| 15 | L | 63.6 | Low | 57.8 | Low | 98 Ų | 98 | 111.6 Ų | 111.6 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63 | -42.5 | 175.9 | -84 | 158.5 | 0 | 0 | 0 | 111.9 | V11 L12 I18 T19 | V11-L15 HydrophobicContact CG1-CD1 3.94Å; V11-L15 WeakPolarHBondContact O-CB 3.2Å; V11-L15 PolarHBondContact O-N 2.98Å; L12-L15 PolarHBondContact O-N 2.71Å; L15-I18 PolarHBondContact O-N 2.97Å; L15-T19 PolarHBondContact O-N 3.08Å; L15-T19 PolarHBondContact O-OG1 2.91Å |
| 16 | L | 65 | Low | 57.6 | Low | 104 Ų | 104 | 111.5 Ų | 111.5 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.1 | -42.7 | 175.1 | -94.5 | 154.2 | 0 | 0 | 0 | 112.2 | L12 T19 V20 | L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 PolarHBondContact O-N 3.43Å; L16-T19 VanDerWaalsContact CA-OG1 3.29Å; L16-T19 WeakPolarHBondContact CA-OG1 3.33Å; L16-T19 PolarHBondContact O-N 3.17Å; L16-T19 PolarHBondContact O-OG1 2.8Å; L16-V20 WeakPolarHBondContact O-CB 3.38Å; L16-V20 VanDerWaalsContact O-CG2 3.26Å; L16-V20 WeakPolarHBondContact O-CG2 3.2Å; L16-V20 PolarHBondContact O-N 3.28Å |
| 17 | L | 62.1 | Low | 57.3 | Low | 113 Ų | 113 | 107.8 Ų | 107.8 | 59% | 0.592 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.8 | -41 | 175.2 | -110.7 | 150.2 | 0 | 0 | 0 | 112.5 | G13 V14 V20 L21 | G13-L17 WeakPolarHBondContact O-CB 3.41Å; G13-L17 PolarHBondContact O-N 3.43Å; V14-L17 PolarHBondContact O-N 3.23Å; L17-V20 PolarHBondContact O-N 3.33Å; L17-L21 HydrophobicContact CD2-CD1 4.27Å; L17-L21 WeakPolarHBondContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CD1 3.28Å; L17-L21 WeakPolarHBondContact O-CG 3.25Å; L17-L21 PolarHBondContact O-N 3.3Å |
| 18 | I | 63.4 | Low | 56.9 | Low | 97 Ų | 97 | 105.8 Ų | 105.8 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.9 | -42.3 | 177.1 | -67.8 | 166.7 | 0 | 0 | 0 | 110.7 | V14 L15 L21 Y22 | V14-I18 HydrophobicContact CG1-CD1 3.76Å; V14-I18 HydrophobicContact CG1-CG1 4.43Å; V14-I18 VanDerWaalsContact O-CG1 3.26Å; V14-I18 WeakPolarHBondContact O-CG1 3.35Å; V14-I18 PolarHBondContact O-N 2.67Å; L15-I18 PolarHBondContact O-N 2.97Å; I18-L21 PolarHBondContact O-N 3.16Å; I18-Y22 WeakPolarHBondContact O-CB 3.33Å; I18-Y22 PolarHBondContact O-N 3.37Å |
| 19 | T | 62.2 | Low | 56.4 | Low | 71 Ų | 71 | 104.5 Ų | 104.5 | 44% | 0.436 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.1 | -38.3 | 175.3 | 36.1 | 0 | 0 | 0 | 0 | 112.8 | L15 L16 Y22 F23 | L15-T19 PolarHBondContact O-N 3.08Å; L15-T19 PolarHBondContact O-OG1 2.91Å; L16-T19 VanDerWaalsContact CA-OG1 3.29Å; L16-T19 WeakPolarHBondContact CA-OG1 3.33Å; L16-T19 PolarHBondContact O-N 3.17Å; L16-T19 PolarHBondContact O-OG1 2.8Å; T19-Y22 PolarHBondContact O-N 3.33Å; T19-F23 WeakPolarHBondContact O-CD2 3.48Å; T19-F23 PolarHBondContact O-N 2.84Å |
| 20 | V | 64.9 | Low | 55.7 | Low | 75 Ų | 75 | 106.2 Ų | 106.2 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.8 | -39.2 | 176.7 | 170.3 | 0 | 0 | 0 | 0 | 111 | L16 L17 Y22 F23 L24 | L16-V20 WeakPolarHBondContact O-CB 3.38Å; L16-V20 VanDerWaalsContact O-CG2 3.26Å; L16-V20 WeakPolarHBondContact O-CG2 3.2Å; L16-V20 PolarHBondContact O-N 3.28Å; L17-V20 PolarHBondContact O-N 3.33Å; V20-Y22 VanDerWaalsContact C-N 3.34Å; V20-F23 PolarHBondContact O-N 3.1Å; V20-L24 HydrophobicContact CG1-CD1 3.62Å; V20-L24 HydrophobicContact CG1-CG 4.32Å; V20-L24 WeakPolarHBondContact O-CB 3.42Å; V20-L24 WeakPolarHBondContact O-CG 3.44Å; V20-L24 PolarHBondContact O-N 3.49Å |
| 21 | L | 53.9 | Low | 54.8 | Low | 91 Ų | 91 | 109.4 Ų | 109.4 | 48% | 0.476 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.1 | -37 | 172.6 | -84.1 | 158.4 | 0 | 0 | 0 | 112.4 | L17 I18 F23 Y25 | L17-L21 HydrophobicContact CD2-CD1 4.27Å; L17-L21 WeakPolarHBondContact O-CB 3.29Å; L17-L21 WeakPolarHBondContact O-CD1 3.28Å; L17-L21 WeakPolarHBondContact O-CG 3.25Å; L17-L21 PolarHBondContact O-N 3.3Å; I18-L21 PolarHBondContact O-N 3.16Å; L21-F23 VanDerWaalsContact C-N 3.35Å; L21-Y25 HydrophobicContact CD2-CD2 4.31Å; L21-Y25 WeakPolarHBondContact O-CB 3.42Å; L21-Y25 PolarHBondContact O-N 2.96Å |
| 22 | Y | 59.3 | Low | 53.4 | Low | 153 Ų | 153 | 109.1 Ų | 109.1 | 60% | 0.6 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.9 | -30.6 | 177.2 | -155.4 | -92.7 | 0 | 0 | 0 | 112.9 | I18 T19 V20 | I18-Y22 WeakPolarHBondContact O-CB 3.33Å; I18-Y22 PolarHBondContact O-N 3.37Å; T19-Y22 PolarHBondContact O-N 3.33Å; V20-Y22 VanDerWaalsContact C-N 3.34Å |
| 23 | F | 55.5 | Low | 51.8 | Low | 180 Ų | 180 | 107 Ų | 107 | 79% | 0.789 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -83.9 | -30.2 | 175.9 | -94.3 | -82.3 | 0 | 0 | 0 | 113.6 | T19 V20 L21 | T19-F23 WeakPolarHBondContact O-CD2 3.48Å; T19-F23 PolarHBondContact O-N 2.84Å; V20-F23 PolarHBondContact O-N 3.1Å; L21-F23 VanDerWaalsContact C-N 3.35Å |
| 24 | L | 49.8 | Very low | 50.1 | Low | 125 Ų | 125 | 117.1 Ų | 117.1 | 65% | 0.654 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -83.8 | -25.7 | 177 | -71.5 | 171.2 | 0 | 0 | 0 | 113 | V20 | V20-L24 HydrophobicContact CG1-CD1 3.62Å; V20-L24 HydrophobicContact CG1-CG 4.32Å; V20-L24 WeakPolarHBondContact O-CB 3.42Å; V20-L24 WeakPolarHBondContact O-CG 3.44Å; V20-L24 PolarHBondContact O-N 3.49Å |
| 25 | Y | 49.2 | Very low | 48.3 | Very low | 130 Ų | 130 | 120 Ų | 120 | 51% | 0.51 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -126 | 86.2 | 174.9 | -70.3 | -83.3 | 0 | 0 | 0 | 109.4 | L21 F27 F29 | L21-Y25 HydrophobicContact CD2-CD2 4.31Å; L21-Y25 WeakPolarHBondContact O-CB 3.42Å; L21-Y25 PolarHBondContact O-N 2.96Å; Y25-F27 PolarHBondContact O-N 2.65Å; Y25-F29 HydrophobicContact CD1-CB 4.18Å; Y25-F29 AromaticContact CD1-CD1 3.65Å; Y25-F29 HydrophobicContact CD1-CD1 3.65Å; Y25-F29 HydrophobicContact CD1-CE1 4.25Å; Y25-F29 AromaticContact CD1-CG 3.98Å; Y25-F29 HydrophobicContact CD1-CG 3.98Å; Y25-F29 AromaticContact CE1-CD1 3.84Å; Y25-F29 HydrophobicContact CE1-CD1 3.84Å; Y25-F29 AromaticContact CE1-CE1 3.94Å; Y25-F29 HydrophobicContact CE1-CE1 3.94Å; Y25-F29 HydrophobicContact CE1-CG 4.4Å |
| 26 | P | 45.2 | Very low | 46.7 | Very low | 76 Ų | 76 | 118.5 Ų | 118.5 | 49% | 0.494 | 61% | 0.614 | S | S | . | * | trans | -55.3 | 144.3 | 168.2 | 24.1 | -31.1 | 0 | 0 | 0 | 108.5 | D28 F29 | P26-D28 PolarHBondContact O-N 3.37Å; P26-F29 PolarHBondContact O-N 3.44Å | ||
| 27 | F | 42.1 | Very low | 45 | Very low | 135 Ų | 135 | 118.8 Ų | 118.8 | 59% | 0.592 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -12 | -174.1 | -151.4 | -100.3 | 0 | 0 | 0 | 114.2 | Y25 F29 | Y25-F27 PolarHBondContact O-N 2.65Å; F27-F29 VanDerWaalsContact C-N 3.32Å; F27-F29 PolarHBondContact O-N 3.36Å |
| 28 | D | 41.6 | Very low | 43.5 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 66% | 0.663 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.8 | -23.7 | 170.7 | -68.8 | -33.5 | 0 | 0 | 0 | 114.5 | P26 | P26-D28 PolarHBondContact O-N 3.37Å |
| 29 | F | 39.6 | Very low | 42.1 | Very low | 134 Ų | 134 | 117.5 Ų | 117.5 | 59% | 0.588 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -82.3 | -21.8 | -179.2 | -163.1 | -98.7 | 0 | 0 | 0 | 113.9 | Y25 P26 F27 T32 | Y25-F29 HydrophobicContact CD1-CB 4.18Å; Y25-F29 AromaticContact CD1-CD1 3.65Å; Y25-F29 HydrophobicContact CD1-CD1 3.65Å; Y25-F29 HydrophobicContact CD1-CE1 4.25Å; Y25-F29 AromaticContact CD1-CG 3.98Å; Y25-F29 HydrophobicContact CD1-CG 3.98Å; Y25-F29 AromaticContact CE1-CD1 3.84Å; Y25-F29 HydrophobicContact CE1-CD1 3.84Å; Y25-F29 AromaticContact CE1-CE1 3.94Å; Y25-F29 HydrophobicContact CE1-CE1 3.94Å; Y25-F29 HydrophobicContact CE1-CG 4.4Å; P26-F29 PolarHBondContact O-N 3.44Å; F27-F29 VanDerWaalsContact C-N 3.32Å; F27-F29 PolarHBondContact O-N 3.36Å; F29-T32 WeakPolarHBondContact CA-OG1 3.43Å; F29-T32 PolarHBondContact O-OG1 3.22Å |
| 30 | L | 36.2 | Very low | 40.8 | Very low | 146 Ų | 146 | 124 Ų | 124 | 76% | 0.764 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -86.1 | -13.2 | 176.5 | -86.7 | 158 | 0 | 0 | 0 | 113 | ||
| 31 | L | 38 | Very low | 39.8 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 67% | 0.67 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -90.5 | -13.4 | 170.8 | -79.3 | 160 | 0 | 0 | 0 | 113.2 | G33 | L31-G33 VanDerWaalsContact C-N 3.26Å; L31-G33 PolarHBondContact O-N 2.74Å |
| 32 | T | 34.2 | Very low | 39.3 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 50% | 0.497 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.9 | -0.3 | 176.3 | 42.4 | 0 | 0 | 0 | 0 | 114.7 | F29 | F29-T32 WeakPolarHBondContact CA-OG1 3.43Å; F29-T32 PolarHBondContact O-OG1 3.22Å |
| 33 | G | 29.6 | Very low | 39 | Very low | 65 Ų | 65 | 121.2 Ų | 121.2 | 67% | 0.67 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -5.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116 | L31 | L31-G33 VanDerWaalsContact C-N 3.26Å; L31-G33 PolarHBondContact O-N 2.74Å |
| 34 | W | 29.5 | Very low | 39.5 | Very low | 247 Ų | 247 | 120.6 Ų | 120.6 | 94% | 0.936 | 65% | 0.645 | S | S | * | * | trans | -120 | 55.5 | 172 | -91.5 | 0 | 0 | 0 | 0 | 110.6 | G36 | W34-G36 PolarHBondContact O-N 3.02Š| ||
| 35 | N | 30.2 | Very low | 40.7 | Very low | 148 Ų | 148 | 122 Ų | 122 | 79% | 0.791 | 65% | 0.649 | S | S | * | * | trans | -73.1 | 67.9 | 155.5 | -94 | -14 | 0 | 0 | 0 | 109.4 | S37 | N35-S37 VanDerWaalsContact C-N 3.29Å; N35-S37 PolarHBondContact O-N 3.26Å; N35-S37 VanDerWaalsContact O-N 3.15Å | ||
| 36 | G | 28.6 | Very low | 42 | Very low | 66 Ų | 66 | 117.3 Ų | 117.3 | 68% | 0.68 | 63% | 0.633 | S | S | * | * | trans | -65.1 | 104 | 143.9 | 0 | 0 | 0 | 0 | 0 | 105 | W34 A38 | W34-G36 PolarHBondContact O-N 3.02Å; G36-A38 PolarHBondContact O-N 3.19Å | ||
| 37 | S | 29.4 | Very low | 43.4 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 76% | 0.762 | 65% | 0.652 | S | S | * | * | trans | -45.6 | 112.2 | 172.2 | 42.7 | 0 | 0 | 0 | 0 | 108.1 | N35 | N35-S37 VanDerWaalsContact C-N 3.29Å; N35-S37 PolarHBondContact O-N 3.26Å; N35-S37 VanDerWaalsContact O-N 3.15Å | ||
| 38 | A | 31.9 | Very low | 45.4 | Very low | 83 Ų | 83 | 118.5 Ų | 118.5 | 69% | 0.686 | 63% | 0.632 | S | S | * | * | trans | -52.4 | 128.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 105.4 | G36 K40 | G36-A38 PolarHBondContact O-N 3.19Å; A38-K40 PolarHBondContact O-N 3.42Å | ||
| 39 | P | 32.2 | Very low | 47.2 | Very low | 101 Ų | 101 | 116 Ų | 116 | 66% | 0.656 | 62% | 0.619 | S | S | * | * | trans | -53.5 | 124.4 | -179.9 | 20.7 | -29.6 | 0 | 0 | 0 | 106.4 | Q41 | P39-Q41 PolarHBondContact O-N 2.89Š| ||
| 40 | K | 36 | Very low | 49 | Very low | 206 Ų | 206 | 114 Ų | 114 | 90% | 0.896 | 62% | 0.617 | S | S | * | * | trans | -54.6 | 94.6 | 170.8 | -85.4 | -178.7 | 175.4 | 178.8 | 0 | 106.2 | A38 L42 | A38-K40 PolarHBondContact O-N 3.42Å; K40-L42 PolarHBondContact O-N 2.94Å; K40-L42 VanDerWaalsContact O-N 3.1Å | ||
| 41 | Q | 43.8 | Very low | 50.9 | Low | 85 Ų | 85 | 107.5 Ų | 107.5 | 40% | 0.397 | 58% | 0.583 | S | S | . | * | trans | -67.4 | 112.6 | 176.6 | -167.3 | 161.7 | 6.8 | 0 | 0 | 104.5 | P39 S43 T131 | P39-Q41 PolarHBondContact O-N 2.89Å; Q41-S43 PolarHBondContact O-N 3.11Å; Q41-T131 PolarHBondContact NE2-OG1 3.35Å; Q41-T131 PolarHBondContact OE1-OG1 3.18Å | ||
| 42 | L | 44 | Very low | 52.6 | Low | 127 Ų | 127 | 110 Ų | 110 | 67% | 0.665 | 59% | 0.589 | S | S | * | * | trans | -66 | 72.3 | 173 | -83 | 134.5 | 0 | 0 | 0 | 108.3 | K40 W44 | K40-L42 PolarHBondContact O-N 2.94Å; K40-L42 VanDerWaalsContact O-N 3.1Å; L42-W44 HydrophobicContact CD2-CH2 4.39Å; L42-W44 HydrophobicContact CD2-CZ2 3.43Å; L42-W44 VanDerWaalsContact CD2-CZ2 3.43Å | ||
| 43 | S | 52.6 | Low | 54.9 | Low | 50 Ų | 50 | 113 Ų | 113 | 35% | 0.35 | 60% | 0.598 | S | S | . | * | trans | -95 | 113.7 | 169.1 | 62 | 0 | 0 | 0 | 0 | 107.4 | Q41 | Q41-S43 PolarHBondContact O-N 3.11Š| ||
| 44 | W | 66.1 | Low | 57.5 | Low | 167 Ų | 167 | 110.1 Ų | 110.1 | 63% | 0.633 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 135.4 | 173.8 | -56.2 | 99.9 | 0 | 0 | 0 | 108.3 | L42 V46 L70 | L42-W44 HydrophobicContact CD2-CH2 4.39Å; L42-W44 HydrophobicContact CD2-CZ2 3.43Å; L42-W44 VanDerWaalsContact CD2-CZ2 3.43Å; W44-V46 HydrophobicContact CB-CG2 4.43Å; W44-V46 PolarHBondContact O-N 2.87Å; W44-L70 PolarHBondContact O-N 2.96Å |
| 45 | Q | 73.9 | Confident | 60.1 | Low | 155 Ų | 155 | 105.4 Ų | 105.4 | 72% | 0.724 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 126.7 | 162.1 | -68.3 | -176.2 | -8.8 | 0 | 0 | 106.7 | T67 Y68 | Q45-T67 HydrophobicContact CB-CG2 4.24Å; Q45-T67 HydrophobicContact CG-CG2 3.78Å; Q45-Y68 WeakPolarHBondContact CA-O 3.32Å |
| 46 | V | 77.4 | Confident | 62.7 | Low | 31 Ų | 31 | 98.3 Ų | 98.3 | 19% | 0.188 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.8 | -179.7 | 169.5 | 0 | 0 | 0 | 0 | 109.4 | W44 Y68 L70 P75 Y193 | W44-V46 HydrophobicContact CB-CG2 4.43Å; W44-V46 PolarHBondContact O-N 2.87Å; V46-Y68 PolarHBondContact N-O 2.92Å; V46-L70 HydrophobicContact CB-CB 4.2Å; V46-L70 HydrophobicContact CG2-CB 3.34Å; V46-L70 HydrophobicContact CG2-CD2 3.74Å; V46-L70 HydrophobicContact CG2-CG 4.16Å; V46-P75 HydrophobicContact CG1-CG 4.42Å; V46-Y193 HydrophobicContact CG1-CE2 4.16Å |
| 47 | E | 75.1 | Confident | 65.4 | Low | 189 Ų | 189 | 96 Ų | 96 | 88% | 0.883 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -71.1 | 135.4 | 168.7 | -68.9 | -174.3 | 175.5 | 0 | 0 | 109.5 | ||
| 48 | R | 84 | Confident | 67.9 | Low | 47 Ų | 47 | 97.5 Ų | 97.5 | 18% | 0.177 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 147 | 177.3 | -171.7 | -163.3 | 52.1 | 111.2 | -12.2 | 109.8 | V50 E57 H192 Y193 | R48-V50 PolarHBondContact O-N 3.32Å; R48-E57 IonicContact CZ-OE1 3.36Å; R48-E57 IonicContact CZ-OE2 2.69Å; R48-E57 IonicContact NH1-OE1 3.69Å; R48-E57 PolarHBondContact NH1-OE1 3.38Å; R48-E57 IonicContact NH1-OE2 2.72Å; R48-E57 PolarHBondContact NH1-OE2 3.43Å; R48-E57 IonicContact NH2-OE1 2.66Å; R48-E57 PolarHBondContact NH2-OE1 3.14Å; R48-E57 IonicContact NH2-OE2 3.24Å; R48-E57 PolarHBondContact NH2-OE2 3.11Å; R48-H192 WeakPolarHBondContact CD-O 3.39Å; R48-Y193 WeakPolarHBondContact CG-O 3.26Å |
| 49 | L | 79.3 | Confident | 70.1 | Confident | 72 Ų | 72 | 95.2 Ų | 95.2 | 38% | 0.377 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 126.4 | 162.8 | -63.6 | -178 | 0 | 0 | 0 | 110.5 | L197 | L49-L197 HydrophobicContact CD1-CD2 3.88Å; L49-L197 HydrophobicContact CG-CD2 4.37Å |
| 50 | V | 77.1 | Confident | 72.5 | Confident | 91 Ų | 91 | 96.2 Ų | 96.2 | 55% | 0.552 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -85.1 | 127.9 | 174.4 | -178 | 0 | 0 | 0 | 0 | 109.2 | R48 K52 E57 | R48-V50 PolarHBondContact O-N 3.32Å; V50-K52 PolarHBondContact O-N 2.89Å; V50-E57 HydrophobicContact CG1-CB 3.93Å |
| 51 | S | 75.9 | Confident | 74.7 | Confident | 9 Ų | 9 | 93.2 Ų | 93.2 | 6% | 0.063 | 45% | 0.446 | C | S | . | . | trans | -72.2 | 109.8 | 177 | -179 | 0 | 0 | 0 | 0 | 109.7 | E53 S54 E57 | S51-E53 PolarHBondContact O-N 3.2Å; S51-S54 PolarHBondContact O-N 3.17Å; S51-E57 WeakPolarHBondContact CA-OE2 3.48Å; S51-E57 WeakPolarHBondContact CB-OE2 3.39Å; S51-E57 PolarHBondContact N-OE2 2.8Å | ||
| 52 | K | 74.4 | Confident | 76.7 | Confident | 182 Ų | 182 | 93.5 Ų | 93.5 | 79% | 0.791 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -10.9 | 176.2 | -64.9 | -174 | -179 | -179.5 | 0 | 113.3 | V50 Q58 | V50-K52 PolarHBondContact O-N 2.89Å; K52-Q58 PolarHBondContact O-NE2 3.21Å |
| 53 | E | 81.5 | Confident | 78.8 | Confident | 144 Ų | 144 | 91.4 Ų | 91.4 | 67% | 0.673 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -16.2 | -179.9 | -64.1 | -179.8 | 174.7 | 0 | 0 | 112.4 | S51 W55 A250 | S51-E53 PolarHBondContact O-N 3.2Å; E53-W55 PolarHBondContact O-N 2.81Å; E53-A250 HydrophobicContact CB-CB 3.84Å |
| 54 | S | 85 | Confident | 80.6 | Confident | 3 Ų | 3 | 89.8 Ų | 89.8 | 2% | 0.021 | 43% | 0.431 | C | S | . | . | trans | -85.5 | 116.7 | -176.6 | -165.1 | 0 | 0 | 0 | 0 | 111.3 | S51 A56 E57 Q58 A250 P253 | S51-S54 PolarHBondContact O-N 3.17Å; S54-A56 PolarHBondContact O-N 3.37Å; S54-E57 PolarHBondContact O-N 3.44Å; S54-E57 VanDerWaalsContact O-N 3.07Å; S54-Q58 WeakPolarHBondContact O-CG 3.4Å; S54-Q58 PolarHBondContact O-N 3.44Å; S54-A250 WeakPolarHBondContact CB-O 3.17Å; S54-A250 PolarHBondContact OG-O 3.03Å; S54-A250 VanDerWaalsContact OG-O 3.1Å; S54-P253 WeakPolarHBondContact OG-CB 3.46Å; S54-P253 WeakPolarHBondContact OG-CG 3.44Å | ||
| 55 | W | 84.4 | Confident | 81.7 | Confident | 148 Ų | 148 | 87.7 Ų | 87.7 | 56% | 0.561 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -59.7 | -30.7 | 176.4 | 69.2 | -93.1 | 0 | 0 | 0 | 112.7 | E53 E57 G59 Y61 L254 | E53-W55 PolarHBondContact O-N 2.81Å; W55-E57 VanDerWaalsContact C-N 3.27Å; W55-E57 PolarHBondContact O-N 3.08Å; W55-G59 PolarHBondContact O-N 3.09Å; W55-Y61 HydrophobicContact CE3-CD2 4.24Å; W55-Y61 HydrophobicContact CZ3-CD2 4.24Å; W55-L254 HydrophobicContact CZ2-CD1 4.05Å; W55-L254 HydrophobicContact CZ2-CD2 4.32Å |
| 56 | A | 84.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65 | -34.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S54 Y61 | S54-A56 PolarHBondContact O-N 3.37Å; A56-Y61 PolarHBondContact O-N 3.19Å |
| 57 | E | 84.3 | Confident | 83.5 | Confident | 18 Ų | 18 | 81.8 Ų | 81.8 | 8% | 0.084 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -88.9 | -37.4 | -179.7 | -54.6 | -160.7 | 144.5 | 0 | 0 | 112.3 | R48 V50 S51 S54 W55 G59 D60 P253 | R48-E57 IonicContact CZ-OE1 3.36Å; R48-E57 IonicContact CZ-OE2 2.69Å; R48-E57 IonicContact NH1-OE1 3.69Å; R48-E57 PolarHBondContact NH1-OE1 3.38Å; R48-E57 IonicContact NH1-OE2 2.72Å; R48-E57 PolarHBondContact NH1-OE2 3.43Å; R48-E57 IonicContact NH2-OE1 2.66Å; R48-E57 PolarHBondContact NH2-OE1 3.14Å; R48-E57 IonicContact NH2-OE2 3.24Å; R48-E57 PolarHBondContact NH2-OE2 3.11Å; V50-E57 HydrophobicContact CG1-CB 3.93Å; S51-E57 WeakPolarHBondContact CA-OE2 3.48Å; S51-E57 WeakPolarHBondContact CB-OE2 3.39Å; S51-E57 PolarHBondContact N-OE2 2.8Å; S54-E57 PolarHBondContact O-N 3.44Å; S54-E57 VanDerWaalsContact O-N 3.07Å; W55-E57 VanDerWaalsContact C-N 3.27Å; W55-E57 PolarHBondContact O-N 3.08Å; E57-G59 VanDerWaalsContact C-N 3.28Å; E57-G59 PolarHBondContact O-N 3.35Å; E57-D60 PolarHBondContact O-N 2.96Å; E57-P253 HydrophobicContact CG-CB 3.51Å; E57-P253 HydrophobicContact CG-CG 3.68Å; E57-P253 VanDerWaalsContact OE1-CB 3.29Å; E57-P253 WeakPolarHBondContact OE1-CB 3.26Å; E57-P253 WeakPolarHBondContact OE1-CG 3.38Å |
| 58 | Q | 82.5 | Confident | 84.5 | Confident | 139 Ų | 139 | 73 Ų | 73 | 65% | 0.65 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -59.7 | -39.3 | 176.8 | -74.1 | -178.4 | -15.4 | 0 | 0 | 112.8 | K52 S54 | K52-Q58 PolarHBondContact O-NE2 3.21Å; S54-Q58 WeakPolarHBondContact O-CG 3.4Å; S54-Q58 PolarHBondContact O-N 3.44Å |
| 59 | G | 78.3 | Confident | 85.1 | Confident | 35 Ų | 35 | 73.7 Ų | 73.7 | 36% | 0.361 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | W55 E57 Y61 | W55-G59 PolarHBondContact O-N 3.09Å; E57-G59 VanDerWaalsContact C-N 3.28Å; E57-G59 PolarHBondContact O-N 3.35Å; G59-Y61 PolarHBondContact O-N 3.09Å |
| 60 | D | 81.9 | Confident | 86 | Confident | 123 Ų | 123 | 70.9 Ų | 70.9 | 66% | 0.658 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 36.8 | -172.3 | -162.7 | 27.6 | 0 | 0 | 0 | 113.2 | E57 | E57-D60 PolarHBondContact O-N 2.96Š|
| 61 | Y | 83.3 | Confident | 86.9 | Confident | 142 Ų | 142 | 67.4 Ų | 67.4 | 56% | 0.557 | 34% | 0.335 | S | S | * | . | trans | -83.2 | 140.7 | 179.3 | -64.4 | -67.5 | 0 | 0 | 0 | 110.2 | W55 A56 G59 R257 | W55-Y61 HydrophobicContact CE3-CD2 4.24Å; W55-Y61 HydrophobicContact CZ3-CD2 4.24Å; A56-Y61 PolarHBondContact O-N 3.19Å; G59-Y61 PolarHBondContact O-N 3.09Å; Y61-R257 PolarHBondContact O-NE 3.3Å | ||
| 62 | L | 85.6 | Confident | 87.9 | Confident | 92 Ų | 92 | 67.5 Ų | 67.5 | 48% | 0.482 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 53.5 | 63.8 | 178.3 | -59 | 170.3 | 0 | 0 | 0 | 112.2 | L64 R257 | L62-L64 PolarHBondContact O-N 3.39Å; L62-R257 WeakPolarHBondContact O-CD 3.16Å; L62-R257 PolarHBondContact O-NE 3.41Å; L62-R257 PolarHBondContact O-NH2 3.19Å |
| 63 | P | 86.8 | Confident | 89 | Confident | 83 Ų | 83 | 59.8 Ų | 59.8 | 54% | 0.539 | 31% | 0.308 | S | S | . | . | trans | -58.4 | 132.2 | -174.5 | 24.6 | -34.7 | 0 | 0 | 0 | 111.7 | ||||
| 64 | L | 90.7 | Very high | 89.4 | Confident | 16 Ų | 16 | 57 Ų | 57 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | trans | -113.4 | 85.3 | 174.6 | -175 | 62.1 | 0 | 0 | 0 | 109.1 | L62 V66 F189 H192 A256 R257 F260 | L62-L64 PolarHBondContact O-N 3.39Å; L64-V66 PolarHBondContact O-N 2.87Å; L64-F189 HydrophobicContact CD1-CE1 4.39Å; L64-H192 HydrophobicContact CD2-CB 4.06Å; L64-H192 PolarHBondContact O-CE1 3.41Å; L64-A256 HydrophobicContact CD2-CB 4.3Å; L64-R257 HydrophobicContact CB-CG 4.44Å; L64-F260 HydrophobicContact CD1-CB 4.29Å; L64-F260 HydrophobicContact CD1-CD1 3.93Å; L64-F260 HydrophobicContact CD1-CD2 3.8Å; L64-F260 HydrophobicContact CD1-CE1 4.18Å; L64-F260 HydrophobicContact CD1-CE2 4.04Å; L64-F260 HydrophobicContact CD1-CG 3.73Å; L64-F260 HydrophobicContact CD1-CZ 4.23Å | ||
| 65 | N | 89.4 | Confident | 89.6 | Confident | 123 Ų | 123 | 59 Ų | 59 | 66% | 0.658 | 31% | 0.314 | S | S | * | . | trans | -80.1 | 113 | -175.4 | -68 | -14.9 | 0 | 0 | 0 | 110.9 | W159 | N65-W159 HydrophobicContact CB-CZ3 4.33Å; N65-W159 WeakPolarHBondContact O-CZ3 3.19Å | ||
| 66 | V | 93.8 | Very high | 89.6 | Confident | 20 Ų | 20 | 53.9 Ų | 53.9 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | trans | -150.5 | 139.6 | 177.2 | 53.5 | 0 | 0 | 0 | 0 | 109.5 | L64 Y68 V155 W159 F189 | L64-V66 PolarHBondContact O-N 2.87Å; V66-Y68 HydrophobicContact CG1-CD2 4.48Å; V66-Y68 HydrophobicContact CG1-CE1 4.39Å; V66-Y68 HydrophobicContact CG1-CE2 3.54Å; V66-Y68 VanDerWaalsContact CG1-CZ 3.49Å; V66-Y68 WeakPolarHBondContact CG1-OH 3.49Å; V66-Y68 HydrophobicContact CG2-CE1 4.37Å; V66-Y68 HydrophobicContact CG2-CE2 4.47Å; V66-V155 HydrophobicContact CG2-CG1 3.6Å; V66-V155 HydrophobicContact CG2-CG2 4.07Å; V66-W159 HydrophobicContact CG2-CB 4.1Å; V66-W159 HydrophobicContact CG2-CG 4.16Å; V66-F189 HydrophobicContact CB-CD1 4.2Å; V66-F189 HydrophobicContact CB-CE1 4Å; V66-F189 HydrophobicContact CG1-CD1 4.07Å; V66-F189 HydrophobicContact CG1-CE1 4.26Å; V66-F189 HydrophobicContact CG2-CD1 4.04Å; V66-F189 HydrophobicContact CG2-CD2 4.46Å; V66-F189 HydrophobicContact CG2-CE1 4.04Å; V66-F189 HydrophobicContact CG2-CE2 4.44Å; V66-F189 HydrophobicContact CG2-CG 4.27Å; V66-F189 HydrophobicContact CG2-CZ 4.24Å | ||
| 67 | T | 94.8 | Very high | 89.4 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 26% | 0.258 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -101.8 | 127.6 | 171.9 | -55 | 0 | 0 | 0 | 0 | 110.1 | Q45 W159 | Q45-T67 HydrophobicContact CB-CG2 4.24Å; Q45-T67 HydrophobicContact CG-CG2 3.78Å; T67-W159 WeakPolarHBondContact OG1-CZ2 3.49Å |
| 68 | Y | 96.3 | Very high | 89.6 | Confident | 5 Ų | 5 | 66.2 Ų | 66.2 | 2% | 0.02 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 138.2 | 176.3 | -60 | -83.6 | 0 | 0 | 0 | 111 | Q45 V46 V66 I153 V155 F189 H192 Y193 | Q45-Y68 WeakPolarHBondContact CA-O 3.32Å; V46-Y68 PolarHBondContact N-O 2.92Å; V66-Y68 HydrophobicContact CG1-CD2 4.48Å; V66-Y68 HydrophobicContact CG1-CE1 4.39Å; V66-Y68 HydrophobicContact CG1-CE2 3.54Å; V66-Y68 VanDerWaalsContact CG1-CZ 3.49Å; V66-Y68 WeakPolarHBondContact CG1-OH 3.49Å; V66-Y68 HydrophobicContact CG2-CE1 4.37Å; V66-Y68 HydrophobicContact CG2-CE2 4.47Å; Y68-I153 HydrophobicContact CD1-CD1 4.18Å; Y68-V155 HydrophobicContact CD1-CG2 3.56Å; Y68-V155 HydrophobicContact CE1-CG2 3.72Å; Y68-F189 HydrophobicContact CE1-CB 4.15Å; Y68-F189 VanDerWaalsContact CE1-O 3.29Å; Y68-F189 WeakPolarHBondContact CE1-O 3.49Å; Y68-F189 PolarHBondContact OH-O 2.98Å; Y68-H192 AromaticContact CE2-ND1 3.95Å; Y68-H192 AromaticContact CZ-ND1 3.84Å; Y68-H192 WeakPolarHBondContact OH-CB 3.16Å; Y68-H192 PolarHBondContact OH-ND1 3.43Å; Y68-Y193 AromaticContact CD1-CD2 3.83Å; Y68-Y193 HydrophobicContact CD1-CD2 3.83Å; Y68-Y193 HydrophobicContact CD1-CG 4.25Å; Y68-Y193 AromaticContact CD2-CD2 3.75Å; Y68-Y193 HydrophobicContact CD2-CD2 3.75Å; Y68-Y193 HydrophobicContact CE1-CD2 4.23Å; Y68-Y193 HydrophobicContact CE1-CG 4.34Å; Y68-Y193 HydrophobicContact CE2-CD2 4.15Å; Y68-Y193 AromaticContact CG-CD2 3.56Å; Y68-Y193 HydrophobicContact CG-CD2 3.56Å; Y68-Y193 HydrophobicContact CG-CE2 4.23Å; Y68-Y193 HydrophobicContact CG-CG 4.41Å; Y68-Y193 PolarHBondContact OH-N 3.07Å |
| 69 | Q | 97.1 | Very high | 90 | Very high | 60 Ų | 60 | 64.1 Ų | 64.1 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 121.7 | 168.5 | -66.6 | 177.8 | -8.6 | 0 | 0 | 108.4 | L71 I153 H154 | Q69-L71 HydrophobicContact CB-CD2 4.15Å; Q69-I153 CarbonylContact O-C 3.44Å; Q69-I153 VanDerWaalsContact O-CA 3.23Å; Q69-I153 WeakPolarHBondContact O-CA 3.38Å; Q69-H154 HydrophobicContact CB-CB 4.41Å; Q69-H154 PolarHBondContact N-O 3.34Å; Q69-H154 PolarHBondContact O-N 3.48Å; Q69-H154 PolarHBondContact OE1-CD2 3.05Å |
| 70 | L | 97.1 | Very high | 90.8 | Very high | 14 Ų | 14 | 64.3 Ų | 64.3 | 7% | 0.073 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 116.5 | 168 | -179.2 | 71.2 | 0 | 0 | 0 | 108.4 | W44 V46 A72 G73 P75 L151 I153 | W44-L70 PolarHBondContact O-N 2.96Å; V46-L70 HydrophobicContact CB-CB 4.2Å; V46-L70 HydrophobicContact CG2-CB 3.34Å; V46-L70 HydrophobicContact CG2-CD2 3.74Å; V46-L70 HydrophobicContact CG2-CG 4.16Å; L70-A72 WeakPolarHBondContact CD1-O 3.28Å; L70-G73 WeakPolarHBondContact CD2-O 3.42Å; L70-P75 HydrophobicContact CD1-CG 4.45Å; L70-P75 HydrophobicContact CD2-CG 3.86Å; L70-L151 HydrophobicContact CD1-CD2 4.45Å; L70-I153 HydrophobicContact CD1-CG2 4.18Å |
| 71 | L | 97.4 | Very high | 91.6 | Very high | 18 Ų | 18 | 60 Ų | 60 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -28.6 | -178.6 | -58.4 | -170.6 | 0 | 0 | 0 | 112.4 | Q69 V130 V134 V152 H154 | Q69-L71 HydrophobicContact CB-CD2 4.15Å; L71-V130 HydrophobicContact CD1-CG1 3.71Å; L71-V134 HydrophobicContact CB-CG1 4.24Å; L71-V134 HydrophobicContact CB-CG2 3.89Å; L71-V134 HydrophobicContact CD1-CG2 3.61Å; L71-V134 HydrophobicContact CG-CG2 4.41Å; L71-V152 HydrophobicContact CB-CB 4.48Å; L71-V152 HydrophobicContact CB-CG1 4.23Å; L71-V152 PolarHBondContact N-O 2.74Å; L71-H154 HydrophobicContact CD1-CB 3.5Å; L71-H154 HydrophobicContact CD2-CB 4.29Å; L71-H154 HydrophobicContact CG-CB 3.88Å |
| 72 | A | 97.3 | Very high | 92.3 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 157.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L70 V134 N138 L145 V152 | L70-A72 WeakPolarHBondContact CD1-O 3.28Å; A72-V134 HydrophobicContact CB-CG1 4.47Å; A72-N138 WeakPolarHBondContact CB-OD1 3.5Å; A72-L145 HydrophobicContact CB-CD1 4.28Å; A72-L145 HydrophobicContact CB-CD2 3.8Å; A72-V152 HydrophobicContact CB-CB 3.97Å; A72-V152 HydrophobicContact CB-CG2 3.96Å; A72-V152 PolarHBondContact N-O 2.94Å; A72-V152 PolarHBondContact O-N 2.8Å |
| 73 | G | 95.9 | Very high | 92.9 | Very high | 20 Ų | 20 | 49 Ų | 49 | 21% | 0.206 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 92.2 | 166.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L70 | L70-G73 WeakPolarHBondContact CD2-O 3.42Š|
| 74 | T | 91.2 | Very high | 93.5 | Very high | 85 Ų | 85 | 45 Ų | 45 | 52% | 0.521 | 25% | 0.249 | S | C | . | . | trans | -117.2 | 111.9 | 179.2 | -55.5 | 0 | 0 | 0 | 0 | 110.3 | S76 L145 G148 | T74-S76 PolarHBondContact O-N 2.84Å; T74-L145 PolarHBondContact N-O 3.46Å; T74-G148 WeakPolarHBondContact O-CA 3.42Å | ||
| 75 | P | 87.9 | Confident | 93.9 | Very high | 47 Ų | 47 | 44.2 Ų | 44.2 | 31% | 0.305 | 25% | 0.245 | S | C | . | . | trans | -58.7 | 132.4 | 177.2 | -24.2 | 33.8 | 0 | 0 | 0 | 111.5 | V46 L70 L151 | V46-P75 HydrophobicContact CG1-CG 4.42Å; L70-P75 HydrophobicContact CD1-CG 4.45Å; L70-P75 HydrophobicContact CD2-CG 3.86Å; P75-L151 HydrophobicContact CB-CD1 4.46Å; P75-L151 HydrophobicContact CG-CD2 4.19Å | ||
| 76 | S | 85.9 | Confident | 94.2 | Very high | 40 Ų | 40 | 38.4 Ų | 38.4 | 28% | 0.28 | 21% | 0.214 | S | C | . | . | trans | -81.1 | 142.4 | 173.6 | -167.5 | 0 | 0 | 0 | 0 | 110.6 | T74 Q78 | T74-S76 PolarHBondContact O-N 2.84Å; S76-Q78 VanDerWaalsContact C-N 3.28Å; S76-Q78 PolarHBondContact OG-N 3.26Å | ||
| 77 | T | 80.6 | Confident | 94.4 | Very high | 135 Ų | 135 | 37.9 Ų | 37.9 | 83% | 0.828 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -79 | -14.7 | 169.9 | 53.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 78 | Q | 87.3 | Confident | 94.5 | Very high | 141 Ų | 141 | 35.9 Ų | 35.9 | 66% | 0.659 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -94.1 | 128 | 178.1 | -66.9 | -176.2 | -10.5 | 0 | 0 | 110.3 | S76 K80 | S76-Q78 VanDerWaalsContact C-N 3.28Å; S76-Q78 PolarHBondContact OG-N 3.26Å; Q78-K80 PolarHBondContact O-N 3.04Å |
| 79 | Q | 91.3 | Very high | 94.4 | Very high | 95 Ų | 95 | 36.8 Ų | 36.8 | 44% | 0.444 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -62.9 | 128.4 | 173.3 | -170.7 | -178.5 | 48.7 | 0 | 0 | 110 | G198 Q199 | Q79-G198 PolarHBondContact NE2-O 3.18Å; Q79-Q199 HydrophobicContact CG-CG 4.45Å |
| 80 | K | 95.7 | Very high | 94.2 | Very high | 39 Ų | 39 | 38.6 Ų | 38.6 | 17% | 0.17 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 171.5 | 174.8 | -60.7 | -56.8 | -173 | 173.4 | 0 | 110.9 | Q78 S114 V117 L197 G198 Q199 | Q78-K80 PolarHBondContact O-N 3.04Å; K80-S114 PolarHBondContact NZ-O 3.12Å; K80-V117 HydrophobicContact CB-CG1 4.37Å; K80-V117 HydrophobicContact CG-CB 4.25Å; K80-V117 HydrophobicContact CG-CG1 4.12Å; K80-L197 PolarHBondContact N-O 3.01Å; K80-G198 CarbonylContact O-C 3.59Å; K80-G198 WeakPolarHBondContact O-CA 3.48Å; K80-Q199 PolarHBondContact O-N 2.81Å |
| 81 | F | 97.8 | Very high | 93.7 | Very high | 34 Ų | 34 | 38.8 Ų | 38.8 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | -48.4 | 172.2 | 179.3 | -92.6 | 0 | 0 | 0 | 110.6 | S115 Q199 Y200 L215 R219 I222 | F81-S115 WeakPolarHBondContact CB-O 3.46Å; F81-S115 VanDerWaalsContact CB-OG 3.32Å; F81-S115 WeakPolarHBondContact CB-OG 3.39Å; F81-S115 PolarHBondContact N-O 3.36Å; F81-Q199 PolarHBondContact O-N 3.22Å; F81-Y200 HydrophobicContact CD2-CD2 4.48Å; F81-Y200 HydrophobicContact CE1-CD2 4.15Å; F81-Y200 HydrophobicContact CE2-CD2 4.03Å; F81-Y200 AromaticContact CE2-CE2 3.82Å; F81-Y200 HydrophobicContact CE2-CE2 3.82Å; F81-Y200 AromaticContact CZ-CD2 3.85Å; F81-Y200 HydrophobicContact CZ-CD2 3.85Å; F81-Y200 AromaticContact CZ-CE2 3.87Å; F81-Y200 HydrophobicContact CZ-CE2 3.87Å; F81-Y200 PolarHBondContact O-N 3.26Å; F81-L215 HydrophobicContact CD1-CD1 3.81Å; F81-L215 HydrophobicContact CE1-CD1 4.02Å; F81-R219 HydrophobicContact CE1-CB 4.04Å; F81-R219 HydrophobicContact CE1-CG 4.24Å; F81-R219 HydrophobicContact CE2-CG 4.17Å; F81-R219 HydrophobicContact CZ-CB 3.94Å; F81-R219 HydrophobicContact CZ-CG 3.7Å; F81-I222 HydrophobicContact CE1-CD1 4.16Å; F81-I222 HydrophobicContact CZ-CD1 3.97Å |
| 82 | L | 98.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132 | -177.5 | -171.5 | 67.9 | 0 | 0 | 0 | 112 | I84 S115 M116 V117 L202 F214 L215 I218 L246 | L82-I84 HydrophobicContact CD2-CD1 4.1Å; L82-I84 HydrophobicContact CD2-CG1 3.76Å; L82-I84 HydrophobicContact CG-CG1 4.06Å; L82-S115 PolarHBondContact N-O 2.93Å; L82-M116 HydrophobicContact CB-CB 4.26Å; L82-M116 CarbonylContact O-C 3.59Å; L82-M116 WeakPolarHBondContact O-CA 3.48Å; L82-M116 WeakPolarHBondContact O-CB 3.37Å; L82-V117 PolarHBondContact O-N 3.05Å; L82-L202 HydrophobicContact CD1-CB 4.07Å; L82-L202 HydrophobicContact CD2-CB 4.26Å; L82-L202 HydrophobicContact CD2-CD2 4.37Å; L82-L202 HydrophobicContact CG-CB 4.44Å; L82-F214 HydrophobicContact CD2-CE2 4.44Å; L82-L215 HydrophobicContact CB-CD1 3.69Å; L82-L215 HydrophobicContact CD2-CD1 3.58Å; L82-L215 HydrophobicContact CG-CD1 4.22Å; L82-I218 HydrophobicContact CD2-CD1 4.23Å; L82-L246 HydrophobicContact CD1-CD1 3.53Å |
| 83 | T | 98.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 130.1 | 160.9 | -60.2 | 0 | 0 | 0 | 0 | 109.4 | V117 V119 L197 G198 Y200 Y201 L202 | T83-V117 CarbonylContact C-O 3.57Å; T83-V117 WeakPolarHBondContact CA-O 3.35Å; T83-V117 HydrophobicContact CG2-CG1 4.12Å; T83-V119 HydrophobicContact CG2-CG2 3.81Å; T83-L197 HydrophobicContact CG2-CB 4.38Å; T83-L197 HydrophobicContact CG2-CD1 4.49Å; T83-L197 WeakPolarHBondContact OG1-CB 3.38Å; T83-G198 WeakPolarHBondContact OG1-CA 3.42Å; T83-G198 PolarHBondContact OG1-N 3.22Å; T83-Y200 PolarHBondContact N-O 2.89Å; T83-Y201 HydrophobicContact CG2-CD2 4.02Å; T83-Y201 HydrophobicContact CG2-CE2 4.47Å; T83-Y201 CarbonylContact O-C 3.57Å; T83-Y201 VanDerWaalsContact O-CA 3.25Å; T83-Y201 WeakPolarHBondContact O-CA 3.32Å; T83-L202 PolarHBondContact O-N 3.06Å |
| 84 | I | 98.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 117 | 175.1 | -56.9 | 177.7 | 0 | 0 | 0 | 107.5 | L82 M86 M116 V117 V118 V119 L202 L204 F214 | L82-I84 HydrophobicContact CD2-CD1 4.1Å; L82-I84 HydrophobicContact CD2-CG1 3.76Å; L82-I84 HydrophobicContact CG-CG1 4.06Å; I84-M86 HydrophobicContact CG2-CE 4.27Å; I84-M116 HydrophobicContact CD1-SD 3.72Å; I84-V117 PolarHBondContact N-O 3.29Å; I84-V118 HydrophobicContact CB-CG2 4.31Å; I84-V118 HydrophobicContact CD1-CG2 4.38Å; I84-V118 CarbonylContact O-C 3.6Å; I84-V118 WeakPolarHBondContact O-CA 3.38Å; I84-V119 PolarHBondContact O-N 2.86Å; I84-L202 WeakPolarHBondContact CA-O 3.43Å; I84-L202 HydrophobicContact CG1-CB 4.4Å; I84-L202 HydrophobicContact CG1-CD2 4.36Å; I84-L204 HydrophobicContact CG2-CB 4.47Å; I84-L204 HydrophobicContact CG2-CD1 3.47Å; I84-L204 VanDerWaalsContact CG2-CD1 3.47Å; I84-L204 HydrophobicContact CG2-CG 3.92Å; I84-F214 HydrophobicContact CD1-CE2 3.63Å; I84-F214 HydrophobicContact CD1-CZ 3.59Å |
| 85 | G | 98.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 134.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | V119 L202 Q203 L204 | G85-V119 WeakPolarHBondContact CA-O 3.5Å; G85-L202 PolarHBondContact N-O 2.96Å; G85-Q203 PolarHBondContact O-NE2 3.09Å; G85-L204 PolarHBondContact O-N 3.3Å |
| 86 | M | 97.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 153.9 | 165.5 | 67.2 | -166.4 | 67.5 | 0 | 0 | 111.5 | I84 L97 T100 L101 L104 V118 V119 V120 L121 L190 | I84-M86 HydrophobicContact CG2-CE 4.27Å; M86-L97 HydrophobicContact CG-CD1 4.46Å; M86-L97 HydrophobicContact SD-CD1 3.82Å; M86-T100 HydrophobicContact CE-CG2 4.3Å; M86-T100 HydrophobicContact SD-CG2 4.15Å; M86-L101 HydrophobicContact CE-CD2 4.21Å; M86-L101 HydrophobicContact SD-CD2 4Å; M86-L104 HydrophobicContact CE-CD1 3.43Å; M86-L104 VanDerWaalsContact CE-CD1 3.43Å; M86-V118 HydrophobicContact CE-CG1 3.77Å; M86-V119 PolarHBondContact N-O 2.99Å; M86-V120 HydrophobicContact CG-CB 4.46Å; M86-V120 HydrophobicContact CG-CG1 4.39Å; M86-V120 HydrophobicContact CG-CG2 3.93Å; M86-V120 WeakPolarHBondContact O-CA 3.45Å; M86-V120 HydrophobicContact SD-CG2 4.13Å; M86-L121 PolarHBondContact O-N 3.33Å; M86-L190 VanDerWaalsContact C-CD2 3.47Å |
| 87 | S | 97.3 | Very high | 91.2 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 7% | 0.07 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 141.1 | 174.4 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | L121 A123 | S87-L121 CarbonylContact C-O 3.6Å; S87-L121 WeakPolarHBondContact CA-O 3.5Å; S87-A123 WeakPolarHBondContact OG-CB 2.93Å |
| 88 | S | 96.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.4 | 178.3 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | L121 A123 D206 | S88-L121 PolarHBondContact N-O 2.86Å; S88-A123 PolarHBondContact O-N 2.96Å; S88-D206 VanDerWaalsContact CB-OD2 3.28Å; S88-D206 WeakPolarHBondContact CB-OD2 3.35Å; S88-D206 PolarHBondContact OG-OD2 3.35Å |
| 89 | V | 95.1 | Very high | 92.2 | Very high | 23 Ų | 23 | 38 Ų | 38 | 14% | 0.139 | 20% | 0.198 | C | C | . | . | trans | -128.1 | 159.5 | 176.5 | -63.8 | 0 | 0 | 0 | 0 | 110.1 | R91 A123 W129 | V89-R91 PolarHBondContact O-N 3.27Å; V89-R91 VanDerWaalsContact O-N 3.13Å; V89-A123 HydrophobicContact CG1-CB 3.91Å; V89-W129 VanDerWaalsContact C-CH2 3.42Å | ||
| 90 | K | 92.5 | Very high | 92.5 | Very high | 99 Ų | 99 | 33.5 Ų | 33.5 | 43% | 0.43 | 18% | 0.177 | S | C | . | . | trans | -64.9 | 116.5 | -179.7 | -173.5 | 177.5 | -171.8 | -179.4 | 0 | 110.5 | D124 D126 W129 | K90-D124 HydrophobicContact CB-CB 4.45Å; K90-D124 WeakPolarHBondContact CB-OD2 3.42Å; K90-D124 PolarHBondContact N-OD2 2.86Å; K90-D126 IonicContact NZ-OD2 2.73Å; K90-D126 PolarHBondContact NZ-OD2 3.17Å; K90-W129 HydrophobicContact CB-CD2 3.73Å; K90-W129 HydrophobicContact CB-CE3 4.24Å; K90-W129 HydrophobicContact CB-CG 3.93Å; K90-W129 HydrophobicContact CB-CZ2 4.28Å; K90-W129 HydrophobicContact CD-CB 3.98Å; K90-W129 HydrophobicContact CD-CD2 4.48Å; K90-W129 HydrophobicContact CD-CG 3.8Å; K90-W129 HydrophobicContact CG-CD2 4.13Å; K90-W129 HydrophobicContact CG-CG 3.83Å | ||
| 91 | R | 85.9 | Confident | 92.6 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | trans | -86.4 | 154 | 170.3 | -56.2 | -170.9 | 165.9 | 78.1 | -4.7 | 110.5 | V89 K93 G94 D206 D207 | V89-R91 PolarHBondContact O-N 3.27Å; V89-R91 VanDerWaalsContact O-N 3.13Å; R91-K93 VanDerWaalsContact C-N 3.28Å; R91-G94 WeakPolarHBondContact CB-O 3.4Å; R91-D206 IonicContact CZ-OD1 3.09Å; R91-D206 IonicContact CZ-OD2 2.86Å; R91-D206 VanDerWaalsContact NH1-CG 3.28Å; R91-D206 IonicContact NH1-OD1 2.8Å; R91-D206 PolarHBondContact NH1-OD1 3.09Å; R91-D206 IonicContact NH1-OD2 3.26Å; R91-D206 PolarHBondContact NH1-OD2 3.38Å; R91-D206 IonicContact NH2-OD1 2.8Å; R91-D206 PolarHBondContact NH2-OD1 3.22Å; R91-D206 IonicContact NH2-OD2 2.69Å; R91-D207 IonicContact CZ-OD2 3.86Å; R91-D207 VanDerWaalsContact NH2-CG 3.26Å; R91-D207 IonicContact NH2-OD2 3.99Å; R91-D207 PolarHBondContact NH2-OD2 2.8Å | ||
| 92 | K | 78.4 | Confident | 92.6 | Very high | 166 Ų | 166 | 34.5 Ų | 34.5 | 72% | 0.722 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -69.1 | -27.4 | 171.2 | -67.1 | -174.3 | -177.4 | 176 | 0 | 112.7 | ||
| 93 | K | 74.5 | Confident | 92.4 | Very high | 109 Ų | 109 | 34.8 Ų | 34.8 | 47% | 0.474 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -128.9 | 96.4 | -173 | -67.4 | -177.3 | 177.5 | 178.4 | 0 | 110.5 | R91 F298 | R91-K93 VanDerWaalsContact C-N 3.28Å; K93-F298 HydrophobicContact CB-CB 4.34Å; K93-F298 HydrophobicContact CB-CD2 4.1Å; K93-F298 HydrophobicContact CB-CG 4.22Å; K93-F298 HydrophobicContact CD-CB 4.43Å; K93-F298 HydrophobicContact CD-CD1 3.66Å; K93-F298 HydrophobicContact CD-CD2 3.92Å; K93-F298 HydrophobicContact CD-CE1 3.78Å; K93-F298 HydrophobicContact CD-CE2 4.04Å; K93-F298 HydrophobicContact CD-CG 3.73Å; K93-F298 HydrophobicContact CD-CZ 3.97Å |
| 94 | G | 76.8 | Confident | 92.4 | Very high | 62 Ų | 62 | 34.8 Ų | 34.8 | 64% | 0.639 | 19% | 0.185 | S | C | * | . | trans | 66 | -173.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.6 | R91 | R91-G94 WeakPolarHBondContact CB-O 3.4Š| ||
| 95 | S | 85.8 | Confident | 92.3 | Very high | 43 Ų | 43 | 35 Ų | 35 | 30% | 0.301 | 19% | 0.186 | S | C | . | . | trans | -135.5 | 137.9 | 174.1 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | L97 | S95-L97 PolarHBondContact OG-N 3.06Š| ||
| 96 | Y | 91.6 | Very high | 92.1 | Very high | 34 Ų | 34 | 38.9 Ų | 38.9 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | trans | -103.4 | -6.8 | 175.8 | -58.6 | -72.4 | 0 | 0 | 0 | 112.6 | V98 P99 T100 D206 D207 T297 F298 | Y96-V98 PolarHBondContact O-N 3.39Å; Y96-P99 VanDerWaalsContact O-CD 3.28Å; Y96-P99 WeakPolarHBondContact O-CD 3.33Å; Y96-T100 WeakPolarHBondContact O-CB 3.07Å; Y96-T100 PolarHBondContact O-N 2.79Å; Y96-T100 PolarHBondContact O-OG1 2.71Å; Y96-D206 CarbonylContact C-O 3.5Å; Y96-D206 VanDerWaalsContact CB-O 3.31Å; Y96-D206 WeakPolarHBondContact CB-O 3.46Å; Y96-D206 VanDerWaalsContact O-O 3.08Å; Y96-D207 HydrophobicContact CD2-CB 3.7Å; Y96-D207 HydrophobicContact CG-CB 3.76Å; Y96-T297 PolarHBondContact OH-N 2.9Å; Y96-T297 PolarHBondContact OH-OG1 2.76Å; Y96-F298 PolarHBondContact OH-N 3.26Å | ||
| 97 | L | 95.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.2 | -49.4 | -174.1 | 175.8 | 62.4 | 0 | 0 | 0 | 112.2 | M86 S95 T100 L101 V120 I122 T133 I137 D206 | M86-L97 HydrophobicContact CG-CD1 4.46Å; M86-L97 HydrophobicContact SD-CD1 3.82Å; S95-L97 PolarHBondContact OG-N 3.06Å; L97-T100 WeakPolarHBondContact O-CB 3.35Å; L97-T100 PolarHBondContact O-N 2.95Å; L97-L101 HydrophobicContact CD1-CD1 4Å; L97-L101 HydrophobicContact CD1-CG 4.1Å; L97-L101 HydrophobicContact CG-CD1 4.08Å; L97-L101 WeakPolarHBondContact O-CG 2.97Å; L97-L101 PolarHBondContact O-N 3.4Å; L97-V120 HydrophobicContact CD1-CG1 3.88Å; L97-V120 HydrophobicContact CD1-CG2 4.36Å; L97-V120 HydrophobicContact CD2-CG1 4.07Å; L97-I122 HydrophobicContact CD2-CD1 3.95Å; L97-T133 HydrophobicContact CD2-CG2 3.9Å; L97-I137 HydrophobicContact CD2-CD1 3.84Å; L97-D206 WeakPolarHBondContact CA-O 3.33Å; L97-D206 HydrophobicContact CB-CB 4.28Å; L97-D206 HydrophobicContact CD1-CB 3.88Å; L97-D206 PolarHBondContact N-O 2.86Å |
| 98 | V | 96 | Very high | 91.7 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 7% | 0.073 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.8 | -49.7 | 179.5 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | Y96 T100 L101 Q102 E136 T140 F141 | Y96-V98 PolarHBondContact O-N 3.39Å; V98-T100 VanDerWaalsContact C-N 3.3Å; V98-T100 PolarHBondContact O-N 3.43Å; V98-L101 PolarHBondContact O-N 2.9Å; V98-Q102 HydrophobicContact CG1-CG 4.33Å; V98-Q102 WeakPolarHBondContact O-CB 3.2Å; V98-Q102 WeakPolarHBondContact O-CG 3.46Å; V98-Q102 PolarHBondContact O-N 3.24Å; V98-E136 HydrophobicContact CG2-CG 3.96Å; V98-T140 HydrophobicContact CG1-CG2 4.11Å; V98-F141 HydrophobicContact CG1-CE2 4.19Å; V98-F141 HydrophobicContact CG1-CZ 4.23Å; V98-F141 HydrophobicContact CG2-CE2 4.37Å |
| 99 | P | 94.2 | Very high | 91.5 | Very high | 52 Ų | 52 | 41.5 Ų | 41.5 | 34% | 0.338 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -54.9 | -39.8 | 171.8 | -30.8 | 35.8 | 0 | 0 | 0 | 114.6 | Y96 Q102 S103 M295 | Y96-P99 VanDerWaalsContact O-CD 3.28Å; Y96-P99 WeakPolarHBondContact O-CD 3.33Å; P99-Q102 PolarHBondContact O-N 3.39Å; P99-S103 WeakPolarHBondContact O-CB 3.47Å; P99-S103 PolarHBondContact O-N 3.21Å; P99-M295 HydrophobicContact CB-CE 3.55Å |
| 100 | T | 96.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -49 | 177.4 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | M86 Y96 L97 V98 Q102 S103 L104 D206 D207 V208 M295 | M86-T100 HydrophobicContact CE-CG2 4.3Å; M86-T100 HydrophobicContact SD-CG2 4.15Å; Y96-T100 WeakPolarHBondContact O-CB 3.07Å; Y96-T100 PolarHBondContact O-N 2.79Å; Y96-T100 PolarHBondContact O-OG1 2.71Å; L97-T100 WeakPolarHBondContact O-CB 3.35Å; L97-T100 PolarHBondContact O-N 2.95Å; V98-T100 VanDerWaalsContact C-N 3.3Å; V98-T100 PolarHBondContact O-N 3.43Å; T100-Q102 VanDerWaalsContact C-N 3.35Å; T100-Q102 PolarHBondContact O-N 3.08Å; T100-S103 WeakPolarHBondContact O-CB 3.39Å; T100-S103 PolarHBondContact O-N 2.67Å; T100-L104 HydrophobicContact CG2-CD1 4.28Å; T100-L104 WeakPolarHBondContact O-CG 3.39Å; T100-L104 PolarHBondContact O-N 3.26Å; T100-D206 PolarHBondContact OG1-O 3.28Å; T100-D207 WeakPolarHBondContact OG1-CA 3.14Å; T100-D207 PolarHBondContact OG1-N 2.99Å; T100-V208 WeakPolarHBondContact CA-O 3.47Å; T100-V208 HydrophobicContact CG2-CB 4.35Å; T100-V208 WeakPolarHBondContact CG2-O 3.35Å; T100-V208 PolarHBondContact OG1-N 3.42Å; T100-V208 PolarHBondContact OG1-O 3.19Å; T100-M295 VanDerWaalsContact OG1-CE 3.26Å; T100-M295 WeakPolarHBondContact OG1-CE 3.32Å |
| 101 | L | 98.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 176.8 | -70.2 | 174.4 | 0 | 0 | 0 | 111.6 | M86 L97 V98 S103 L104 F105 V118 V120 F141 L150 | M86-L101 HydrophobicContact CE-CD2 4.21Å; M86-L101 HydrophobicContact SD-CD2 4Å; L97-L101 HydrophobicContact CD1-CD1 4Å; L97-L101 HydrophobicContact CD1-CG 4.1Å; L97-L101 HydrophobicContact CG-CD1 4.08Å; L97-L101 WeakPolarHBondContact O-CG 2.97Å; L97-L101 PolarHBondContact O-N 3.4Å; V98-L101 PolarHBondContact O-N 2.9Å; L101-S103 PolarHBondContact O-N 3.21Å; L101-L104 PolarHBondContact O-N 3.05Å; L101-F105 HydrophobicContact CB-CE2 4.46Å; L101-F105 HydrophobicContact CD2-CE2 4.32Å; L101-F105 WeakPolarHBondContact O-CD2 3.48Å; L101-F105 PolarHBondContact O-N 2.88Å; L101-V118 HydrophobicContact CD2-CG1 3.79Å; L101-V120 HydrophobicContact CD1-CG2 4.35Å; L101-V120 HydrophobicContact CD2-CG2 3.93Å; L101-F141 HydrophobicContact CB-CE1 3.76Å; L101-F141 HydrophobicContact CB-CE2 3.8Å; L101-F141 HydrophobicContact CB-CZ 3.29Å; L101-F141 HydrophobicContact CD1-CD2 4.22Å; L101-F141 HydrophobicContact CD1-CE2 3.77Å; L101-F141 HydrophobicContact CD1-CZ 4.17Å; L101-F141 HydrophobicContact CG-CE2 4.47Å; L101-F141 HydrophobicContact CG-CZ 4.39Å; L101-L150 HydrophobicContact CD1-CD2 4.32Å; L101-L150 HydrophobicContact CD2-CD1 3.97Å |
| 102 | Q | 96.9 | Very high | 92.2 | Very high | 94 Ų | 94 | 45.7 Ų | 45.7 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57 | -49.2 | 174.3 | -79.3 | 172.6 | -17 | 0 | 0 | 111 | V98 P99 T100 L104 F105 S106 F141 | V98-Q102 HydrophobicContact CG1-CG 4.33Å; V98-Q102 WeakPolarHBondContact O-CB 3.2Å; V98-Q102 WeakPolarHBondContact O-CG 3.46Å; V98-Q102 PolarHBondContact O-N 3.24Å; P99-Q102 PolarHBondContact O-N 3.39Å; T100-Q102 VanDerWaalsContact C-N 3.35Å; T100-Q102 PolarHBondContact O-N 3.08Å; Q102-L104 PolarHBondContact O-N 3.43Å; Q102-F105 PolarHBondContact O-N 3.34Å; Q102-S106 VanDerWaalsContact O-CB 3.22Å; Q102-S106 WeakPolarHBondContact O-CB 3.49Å; Q102-S106 PolarHBondContact O-N 3.41Å; Q102-S106 PolarHBondContact O-OG 3.45Å; Q102-F141 HydrophobicContact CG-CE1 3.98Å; Q102-F141 HydrophobicContact CG-CZ 3.81Å |
| 103 | S | 95.3 | Very high | 93.1 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.6 | -51.6 | 176.5 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | P99 T100 L101 F105 S106 Q107 F209 S210 | P99-S103 WeakPolarHBondContact O-CB 3.47Å; P99-S103 PolarHBondContact O-N 3.21Å; T100-S103 WeakPolarHBondContact O-CB 3.39Å; T100-S103 PolarHBondContact O-N 2.67Å; L101-S103 PolarHBondContact O-N 3.21Å; S103-F105 PolarHBondContact O-N 3.13Å; S103-S106 PolarHBondContact O-N 3.23Å; S103-S106 PolarHBondContact O-OG 2.75Å; S103-Q107 WeakPolarHBondContact O-CB 3.28Å; S103-Q107 WeakPolarHBondContact O-CG 3.39Å; S103-Q107 PolarHBondContact O-N 2.93Å; S103-F209 WeakPolarHBondContact OG-CD2 3.48Å; S103-F209 WeakPolarHBondContact OG-CE2 3.38Å; S103-S210 PolarHBondContact O-OG 3.48Å; S103-S210 PolarHBondContact OG-N 3.06Å; S103-S210 PolarHBondContact OG-OG 3.35Å |
| 104 | L | 97.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.1 | -48.2 | -178.3 | -72.8 | 169.3 | 0 | 0 | 0 | 112.3 | M86 T100 L101 Q102 S108 L204 S210 F214 F292 | M86-L104 HydrophobicContact CE-CD1 3.43Å; M86-L104 VanDerWaalsContact CE-CD1 3.43Å; T100-L104 HydrophobicContact CG2-CD1 4.28Å; T100-L104 WeakPolarHBondContact O-CG 3.39Å; T100-L104 PolarHBondContact O-N 3.26Å; L101-L104 PolarHBondContact O-N 3.05Å; Q102-L104 PolarHBondContact O-N 3.43Å; L104-S108 WeakPolarHBondContact O-CB 3.39Å; L104-S108 PolarHBondContact O-N 3.49Å; L104-S108 PolarHBondContact O-OG 3.31Å; L104-L204 HydrophobicContact CD1-CD1 4.13Å; L104-L204 HydrophobicContact CD2-CD1 3.84Å; L104-S210 WeakPolarHBondContact CA-OG 3.48Å; L104-F214 HydrophobicContact CD2-CE1 3.83Å; L104-F214 HydrophobicContact CD2-CZ 3.84Å; L104-F292 HydrophobicContact CD2-CE1 4.2Å |
| 105 | F | 97.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.5 | -47 | -179.4 | -67.4 | -60.8 | 0 | 0 | 0 | 111.5 | L101 Q102 S103 Q107 S108 R113 M116 V118 F141 E144 Q149 L150 | L101-F105 HydrophobicContact CB-CE2 4.46Å; L101-F105 HydrophobicContact CD2-CE2 4.32Å; L101-F105 WeakPolarHBondContact O-CD2 3.48Å; L101-F105 PolarHBondContact O-N 2.88Å; Q102-F105 PolarHBondContact O-N 3.34Å; S103-F105 PolarHBondContact O-N 3.13Å; F105-Q107 PolarHBondContact O-N 3.18Å; F105-S108 PolarHBondContact O-N 3.45Å; F105-R113 VanDerWaalsContact C-NH2 3.31Å; F105-R113 HydrophobicContact CD1-CG 4.44Å; F105-R113 PolarHBondContact O-NE 2.98Å; F105-R113 PolarHBondContact O-NH2 3.41Å; F105-M116 HydrophobicContact CD1-CE 4.3Å; F105-M116 HydrophobicContact CE1-CE 4.4Å; F105-V118 HydrophobicContact CE1-CG2 4.01Å; F105-V118 HydrophobicContact CZ-CB 4.13Å; F105-V118 HydrophobicContact CZ-CG2 3.73Å; F105-F141 AromaticContact CD2-CD1 3.89Å; F105-F141 HydrophobicContact CD2-CD1 3.89Å; F105-F141 AromaticContact CD2-CE1 3.98Å; F105-F141 HydrophobicContact CD2-CE1 3.98Å; F105-F141 HydrophobicContact CE2-CD1 4.17Å; F105-F141 HydrophobicContact CE2-CE1 4.48Å; F105-E144 HydrophobicContact CD1-CG 3.73Å; F105-E144 HydrophobicContact CD2-CG 3.93Å; F105-E144 HydrophobicContact CE1-CB 4.25Å; F105-E144 HydrophobicContact CE1-CG 3.74Å; F105-E144 HydrophobicContact CE2-CB 4.26Å; F105-E144 HydrophobicContact CE2-CG 3.95Å; F105-E144 HydrophobicContact CG-CG 3.84Å; F105-E144 HydrophobicContact CZ-CB 4.02Å; F105-E144 HydrophobicContact CZ-CG 3.86Å; F105-Q149 HydrophobicContact CE1-CB 4.29Å; F105-L150 HydrophobicContact CE2-CB 4.46Å; F105-L150 HydrophobicContact CE2-CD2 4.38Å; F105-L150 HydrophobicContact CZ-CB 4.03Å; F105-L150 HydrophobicContact CZ-CD1 4.48Å |
| 106 | S | 94.1 | Very high | 95.6 | Very high | 81 Ų | 81 | 34.6 Ų | 34.6 | 57% | 0.566 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -63.6 | -31 | -178 | 72.2 | 0 | 0 | 0 | 0 | 113 | Q102 S103 S108 | Q102-S106 VanDerWaalsContact O-CB 3.22Å; Q102-S106 WeakPolarHBondContact O-CB 3.49Å; Q102-S106 PolarHBondContact O-N 3.41Å; Q102-S106 PolarHBondContact O-OG 3.45Å; S103-S106 PolarHBondContact O-N 3.23Å; S103-S106 PolarHBondContact O-OG 2.75Å; S106-S108 VanDerWaalsContact C-N 3.32Å |
| 107 | Q | 92.8 | Very high | 95.9 | Very high | 33 Ų | 33 | 33.2 Ų | 33.2 | 15% | 0.154 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -5.1 | 178 | -64 | -68.7 | 29.9 | 0 | 0 | 113.7 | S103 F105 S210 N213 | S103-Q107 WeakPolarHBondContact O-CB 3.28Å; S103-Q107 WeakPolarHBondContact O-CG 3.39Å; S103-Q107 PolarHBondContact O-N 2.93Å; F105-Q107 PolarHBondContact O-N 3.18Å; Q107-S210 WeakPolarHBondContact CG-O 3.44Å; Q107-N213 PolarHBondContact O-N 2.86Å |
| 108 | S | 94 | Very high | 96.1 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -100.6 | 136.2 | 178.6 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | L104 F105 S106 E112 R113 M116 F214 | L104-S108 WeakPolarHBondContact O-CB 3.39Å; L104-S108 PolarHBondContact O-N 3.49Å; L104-S108 PolarHBondContact O-OG 3.31Å; F105-S108 PolarHBondContact O-N 3.45Å; S106-S108 VanDerWaalsContact C-N 3.32Å; S108-E112 WeakPolarHBondContact CA-OE2 3.05Å; S108-R113 PolarHBondContact O-NE 3.5Å; S108-M116 WeakPolarHBondContact OG-CE 3.04Å; S108-F214 VanDerWaalsContact OG-CE1 3.3Å; S108-F214 WeakPolarHBondContact OG-CE1 3.41Å |
| 109 | S | 92.9 | Very high | 96.2 | Very high | 26 Ų | 26 | 32.6 Ų | 32.6 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | trans | -65.7 | 160.3 | 170.8 | 94.3 | 0 | 0 | 0 | 0 | 111.7 | E111 E112 R113 | S109-E111 WeakPolarHBondContact CB-OE2 3.27Å; S109-E111 PolarHBondContact O-N 2.91Å; S109-E111 PolarHBondContact OG-N 3.41Å; S109-E111 PolarHBondContact OG-OE2 3.43Å; S109-E112 PolarHBondContact N-OE2 2.83Å; S109-E112 PolarHBondContact O-N 3.35Å; S109-E112 VanDerWaalsContact O-N 3.13Å; S109-E112 PolarHBondContact OG-N 3Å; S109-R113 WeakPolarHBondContact O-CG 3.46Å; S109-R113 PolarHBondContact O-N 3.31Å | ||
| 110 | P | 94.4 | Very high | 96.4 | Very high | 97 Ų | 97 | 30.1 Ų | 30.1 | 63% | 0.63 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -53.6 | -39 | 173.8 | -26.5 | 36 | 0 | 0 | 0 | 113.4 | R113 S114 | P110-R113 PolarHBondContact O-N 3.11Å; P110-S114 PolarHBondContact O-N 2.98Å |
| 111 | E | 95.2 | Very high | 96.5 | Very high | 127 Ų | 127 | 30.1 Ų | 30.1 | 59% | 0.593 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -65.3 | -45.2 | 177.6 | -59.4 | 68.2 | -145.5 | 0 | 0 | 110.6 | S109 S114 S115 | S109-E111 WeakPolarHBondContact CB-OE2 3.27Å; S109-E111 PolarHBondContact O-N 2.91Å; S109-E111 PolarHBondContact OG-N 3.41Å; S109-E111 PolarHBondContact OG-OE2 3.43Å; E111-S114 PolarHBondContact O-N 3.1Å; E111-S114 PolarHBondContact O-OG 2.84Å; E111-S115 VanDerWaalsContact O-CB 3.3Å; E111-S115 WeakPolarHBondContact O-CB 2.99Å; E111-S115 PolarHBondContact O-N 2.86Å; E111-S115 VanDerWaalsContact O-N 3.13Å |
| 112 | E | 97.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.5 | -47.6 | 176.9 | -72.1 | -178.4 | 141.8 | 0 | 0 | 111.6 | S108 S109 S114 S115 M116 N213 L215 T216 | S108-E112 WeakPolarHBondContact CA-OE2 3.05Å; S109-E112 PolarHBondContact N-OE2 2.83Å; S109-E112 PolarHBondContact O-N 3.35Å; S109-E112 VanDerWaalsContact O-N 3.13Å; S109-E112 PolarHBondContact OG-N 3Å; E112-S114 PolarHBondContact O-N 2.86Å; E112-S115 CarbonylContact O-C 3.59Å; E112-S115 WeakPolarHBondContact O-CA 3.24Å; E112-S115 WeakPolarHBondContact O-CB 3.17Å; E112-S115 PolarHBondContact O-N 3.35Å; E112-M116 WeakPolarHBondContact O-CG 3.49Å; E112-M116 PolarHBondContact O-N 3.47Å; E112-M116 VanDerWaalsContact O-N 3.13Å; E112-N213 VanDerWaalsContact OE1-CA 3.26Å; E112-N213 WeakPolarHBondContact OE1-CA 3.48Å; E112-N213 WeakPolarHBondContact OE2-CA 3.31Å; E112-L215 HydrophobicContact CB-CB 4.2Å; E112-L215 HydrophobicContact CB-CD2 3.86Å; E112-L215 HydrophobicContact CB-CG 4.46Å; E112-L215 HydrophobicContact CG-CB 3.92Å; E112-L215 HydrophobicContact CG-CD2 4.14Å; E112-L215 HydrophobicContact CG-CG 4.25Å; E112-L215 WeakPolarHBondContact O-CD2 3.09Å; E112-L215 WeakPolarHBondContact OE1-CB 3.03Å; E112-L215 PolarHBondContact OE1-N 3.49Å; E112-T216 WeakPolarHBondContact OE1-CB 3.33Å; E112-T216 PolarHBondContact OE1-N 3.24Å; E112-T216 PolarHBondContact OE1-OG1 3.48Å |
| 113 | R | 96.6 | Very high | 96.5 | Very high | 63 Ų | 63 | 25.7 Ų | 25.7 | 24% | 0.238 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.7 | -36.5 | 176.7 | -65 | -177.5 | -169 | -165.4 | 9.9 | 112.2 | F105 S108 S109 P110 S115 M116 E144 Q149 | F105-R113 VanDerWaalsContact C-NH2 3.31Å; F105-R113 HydrophobicContact CD1-CG 4.44Å; F105-R113 PolarHBondContact O-NE 2.98Å; F105-R113 PolarHBondContact O-NH2 3.41Å; S108-R113 PolarHBondContact O-NE 3.5Å; S109-R113 WeakPolarHBondContact O-CG 3.46Å; S109-R113 PolarHBondContact O-N 3.31Å; P110-R113 PolarHBondContact O-N 3.11Å; R113-S115 PolarHBondContact O-N 3.45Å; R113-M116 HydrophobicContact CG-CE 4.22Å; R113-E144 IonicContact NH1-OE1 2.65Å; R113-E144 PolarHBondContact NH1-OE1 3.13Å; R113-Q149 PolarHBondContact O-NE2 3.25Å; R113-Q149 VanDerWaalsContact O-NE2 3.17Å |
| 114 | S | 96 | Very high | 96.6 | Very high | 65 Ų | 65 | 26.9 Ų | 26.9 | 46% | 0.455 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -69.2 | -26.4 | 176.7 | 80 | 0 | 0 | 0 | 0 | 113.1 | K80 P110 E111 E112 | K80-S114 PolarHBondContact NZ-O 3.12Å; P110-S114 PolarHBondContact O-N 2.98Å; E111-S114 PolarHBondContact O-N 3.1Å; E111-S114 PolarHBondContact O-OG 2.84Å; E112-S114 PolarHBondContact O-N 2.86Å |
| 115 | S | 97.4 | Very high | 96.5 | Very high | 19 Ų | 19 | 29.7 Ų | 29.7 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -92.9 | -4.4 | -174.8 | 166.7 | 0 | 0 | 0 | 0 | 113.6 | F81 L82 E111 E112 R113 R219 | F81-S115 WeakPolarHBondContact CB-O 3.46Å; F81-S115 VanDerWaalsContact CB-OG 3.32Å; F81-S115 WeakPolarHBondContact CB-OG 3.39Å; F81-S115 PolarHBondContact N-O 3.36Å; L82-S115 PolarHBondContact N-O 2.93Å; E111-S115 VanDerWaalsContact O-CB 3.3Å; E111-S115 WeakPolarHBondContact O-CB 2.99Å; E111-S115 PolarHBondContact O-N 2.86Å; E111-S115 VanDerWaalsContact O-N 3.13Å; E112-S115 CarbonylContact O-C 3.59Å; E112-S115 WeakPolarHBondContact O-CA 3.24Å; E112-S115 WeakPolarHBondContact O-CB 3.17Å; E112-S115 PolarHBondContact O-N 3.35Å; R113-S115 PolarHBondContact O-N 3.45Å; S115-R219 PolarHBondContact OG-NH2 2.87Å |
| 116 | M | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 162.7 | -178.8 | 70.8 | -178.4 | -179.1 | 0 | 0 | 113.1 | L82 I84 F105 S108 E112 R113 F214 L215 | L82-M116 HydrophobicContact CB-CB 4.26Å; L82-M116 CarbonylContact O-C 3.59Å; L82-M116 WeakPolarHBondContact O-CA 3.48Å; L82-M116 WeakPolarHBondContact O-CB 3.37Å; I84-M116 HydrophobicContact CD1-SD 3.72Å; F105-M116 HydrophobicContact CD1-CE 4.3Å; F105-M116 HydrophobicContact CE1-CE 4.4Å; S108-M116 WeakPolarHBondContact OG-CE 3.04Å; E112-M116 WeakPolarHBondContact O-CG 3.49Å; E112-M116 PolarHBondContact O-N 3.47Å; E112-M116 VanDerWaalsContact O-N 3.13Å; R113-M116 HydrophobicContact CG-CE 4.22Å; M116-F214 HydrophobicContact CE-CZ 4.32Å; M116-F214 HydrophobicContact SD-CE2 4.46Å; M116-F214 HydrophobicContact SD-CZ 3.88Å; M116-L215 HydrophobicContact CB-CD2 3.98Å; M116-L215 HydrophobicContact CG-CD2 4.36Å; M116-L215 HydrophobicContact SD-CD2 4.25Å |
| 117 | V | 98.2 | Very high | 96.5 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 131 | 168.5 | 57.9 | 0 | 0 | 0 | 0 | 109.2 | K80 L82 T83 I84 V119 L151 L197 | K80-V117 HydrophobicContact CB-CG1 4.37Å; K80-V117 HydrophobicContact CG-CB 4.25Å; K80-V117 HydrophobicContact CG-CG1 4.12Å; L82-V117 PolarHBondContact O-N 3.05Å; T83-V117 CarbonylContact C-O 3.57Å; T83-V117 WeakPolarHBondContact CA-O 3.35Å; T83-V117 HydrophobicContact CG2-CG1 4.12Å; I84-V117 PolarHBondContact N-O 3.29Å; V117-V119 HydrophobicContact CG2-CG2 4.46Å; V117-L151 HydrophobicContact CG2-CD1 3.92Å; V117-L151 HydrophobicContact CG2-CG 3.92Å; V117-L197 HydrophobicContact CG1-CB 4.18Å |
| 118 | V | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.6 | 173.9 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | I84 M86 L101 F105 V120 Q149 L150 L151 | I84-V118 HydrophobicContact CB-CG2 4.31Å; I84-V118 HydrophobicContact CD1-CG2 4.38Å; I84-V118 CarbonylContact O-C 3.6Å; I84-V118 WeakPolarHBondContact O-CA 3.38Å; M86-V118 HydrophobicContact CE-CG1 3.77Å; L101-V118 HydrophobicContact CD2-CG1 3.79Å; F105-V118 HydrophobicContact CE1-CG2 4.01Å; F105-V118 HydrophobicContact CZ-CB 4.13Å; F105-V118 HydrophobicContact CZ-CG2 3.73Å; V118-V120 HydrophobicContact CG1-CG2 4.29Å; V118-Q149 PolarHBondContact N-O 2.85Å; V118-L150 HydrophobicContact CB-CD1 3.91Å; V118-L150 HydrophobicContact CG1-CD1 3.95Å; V118-L150 CarbonylContact O-C 3.45Å; V118-L150 WeakPolarHBondContact O-CA 3.46Å; V118-L151 PolarHBondContact O-N 3.46Å |
| 119 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 119.6 | 177.2 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | T83 I84 G85 M86 V117 L151 I153 L190 Y193 L197 | T83-V119 HydrophobicContact CG2-CG2 3.81Å; I84-V119 PolarHBondContact O-N 2.86Å; G85-V119 WeakPolarHBondContact CA-O 3.5Å; M86-V119 PolarHBondContact N-O 2.99Å; V117-V119 HydrophobicContact CG2-CG2 4.46Å; V119-L151 WeakPolarHBondContact CA-O 3.29Å; V119-L151 HydrophobicContact CG2-CB 4.43Å; V119-L151 HydrophobicContact CG2-CD1 4.38Å; V119-I153 HydrophobicContact CG1-CD1 3.79Å; V119-I153 HydrophobicContact CG1-CG1 4.11Å; V119-L190 HydrophobicContact CB-CD1 4.23Å; V119-L190 HydrophobicContact CG1-CD1 3.82Å; V119-Y193 HydrophobicContact CG1-CD1 3.83Å; V119-Y193 HydrophobicContact CG1-CE1 4.1Å; V119-L197 HydrophobicContact CG2-CD1 3.73Å |
| 120 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 115.2 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | M86 L97 L101 V118 I122 L150 L151 V152 I153 | M86-V120 HydrophobicContact CG-CB 4.46Å; M86-V120 HydrophobicContact CG-CG1 4.39Å; M86-V120 HydrophobicContact CG-CG2 3.93Å; M86-V120 WeakPolarHBondContact O-CA 3.45Å; M86-V120 HydrophobicContact SD-CG2 4.13Å; L97-V120 HydrophobicContact CD1-CG1 3.88Å; L97-V120 HydrophobicContact CD1-CG2 4.36Å; L97-V120 HydrophobicContact CD2-CG1 4.07Å; L101-V120 HydrophobicContact CD1-CG2 4.35Å; L101-V120 HydrophobicContact CD2-CG2 3.93Å; V118-V120 HydrophobicContact CG1-CG2 4.29Å; V120-I122 HydrophobicContact CG1-CD1 3.69Å; V120-L150 HydrophobicContact CG2-CD1 3.77Å; V120-L151 PolarHBondContact N-O 2.96Å; V120-V152 WeakPolarHBondContact O-CA 3.47Å; V120-I153 PolarHBondContact O-N 3.12Å |
| 121 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 112.1 | 166.2 | 178.5 | 67.6 | 0 | 0 | 0 | 109.3 | M86 S87 S88 A123 I153 V155 D186 L190 | M86-L121 PolarHBondContact O-N 3.33Å; S87-L121 CarbonylContact C-O 3.6Å; S87-L121 WeakPolarHBondContact CA-O 3.5Å; S88-L121 PolarHBondContact N-O 2.86Å; L121-A123 HydrophobicContact CD2-CB 4.1Å; L121-A123 HydrophobicContact CG-CB 4.04Å; L121-A123 PolarHBondContact O-N 3.42Å; L121-I153 WeakPolarHBondContact CA-O 3.38Å; L121-I153 HydrophobicContact CB-CD1 4.48Å; L121-I153 HydrophobicContact CB-CG1 4.17Å; L121-I153 HydrophobicContact CD1-CD1 4.21Å; L121-I153 HydrophobicContact CD1-CG1 3.9Å; L121-V155 HydrophobicContact CD1-CG2 4.02Å; L121-D186 HydrophobicContact CD2-CB 4.2Å; L121-D186 WeakPolarHBondContact CD2-O 3.41Å; L121-L190 HydrophobicContact CB-CB 4.27Å; L121-L190 HydrophobicContact CB-CD1 4.06Å; L121-L190 HydrophobicContact CD2-CB 4.2Å |
| 122 | I | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 97.5 | 168.5 | -52.9 | -59.7 | 0 | 0 | 0 | 106.9 | L97 V120 W129 V130 T133 I137 V152 I153 H154 | L97-I122 HydrophobicContact CD2-CD1 3.95Å; V120-I122 HydrophobicContact CG1-CD1 3.69Å; I122-W129 HydrophobicContact CG2-CE3 4.2Å; I122-W129 HydrophobicContact CG2-CH2 4.3Å; I122-W129 HydrophobicContact CG2-CZ3 3.53Å; I122-V130 HydrophobicContact CG2-CB 4.23Å; I122-V130 HydrophobicContact CG2-CG1 4.03Å; I122-V130 HydrophobicContact CG2-CG2 3.93Å; I122-T133 HydrophobicContact CD1-CG2 3.85Å; I122-I137 HydrophobicContact CD1-CD1 4.11Å; I122-V152 HydrophobicContact CD1-CG1 4.11Å; I122-V152 HydrophobicContact CG1-CG1 3.51Å; I122-I153 PolarHBondContact N-O 2.7Å; I122-H154 PolarHBondContact O-ND1 3.38Å |
| 123 | A | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -98.1 | 11.2 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S87 S88 V89 L121 K182 D186 | S87-A123 WeakPolarHBondContact OG-CB 2.93Å; S88-A123 PolarHBondContact O-N 2.96Å; V89-A123 HydrophobicContact CG1-CB 3.91Å; L121-A123 HydrophobicContact CD2-CB 4.1Å; L121-A123 HydrophobicContact CG-CB 4.04Å; L121-A123 PolarHBondContact O-N 3.42Å; A123-K182 WeakPolarHBondContact O-CE 3.38Å; A123-K182 PolarHBondContact O-NZ 2.98Å; A123-D186 HydrophobicContact CB-CB 4.16Å | ||
| 124 | D | 96.5 | Very high | 97 | Very high | 32 Ų | 32 | 31.8 Ų | 31.8 | 17% | 0.171 | 17% | 0.166 | C | C | . | . | trans | -85.7 | 152.3 | 176.9 | -152.1 | -79.3 | 0 | 0 | 0 | 112.3 | K90 D126 W129 V130 H154 | K90-D124 HydrophobicContact CB-CB 4.45Å; K90-D124 WeakPolarHBondContact CB-OD2 3.42Å; K90-D124 PolarHBondContact N-OD2 2.86Å; D124-D126 WeakPolarHBondContact OD1-CB 3.16Å; D124-D126 PolarHBondContact OD1-N 3.27Å; D124-W129 HydrophobicContact CB-CD2 4.38Å; D124-W129 HydrophobicContact CB-CE3 3.37Å; D124-W129 HydrophobicContact CB-CH2 4.46Å; D124-W129 HydrophobicContact CB-CZ3 3.41Å; D124-W129 VanDerWaalsContact CB-CZ3 3.41Å; D124-V130 WeakPolarHBondContact O-CG2 3.18Å; D124-H154 PolarHBondContact O-CE1 2.92Å; D124-H154 VanDerWaalsContact O-CE1 3.31Å | ||
| 125 | F | 96.1 | Very high | 97.1 | Very high | 61 Ų | 61 | 36.6 Ų | 36.6 | 27% | 0.268 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -93.1 | -10.7 | 177.7 | -56 | -35.2 | 0 | 0 | 0 | 113 | V127 Q157 Y160 L163 K182 | F125-V127 PolarHBondContact O-N 3.23Å; F125-Q157 HydrophobicContact CD1-CB 3.79Å; F125-Q157 HydrophobicContact CD1-CG 4.29Å; F125-Q157 HydrophobicContact CD2-CB 4.35Å; F125-Q157 HydrophobicContact CD2-CG 4.01Å; F125-Q157 HydrophobicContact CE1-CB 3.75Å; F125-Q157 HydrophobicContact CE1-CG 4.05Å; F125-Q157 HydrophobicContact CE2-CB 4.32Å; F125-Q157 HydrophobicContact CE2-CG 3.75Å; F125-Q157 HydrophobicContact CG-CB 4.11Å; F125-Q157 HydrophobicContact CG-CG 4.28Å; F125-Q157 HydrophobicContact CZ-CB 4.02Å; F125-Q157 HydrophobicContact CZ-CG 3.78Å; F125-Y160 AromaticContact CE1-CD2 3.85Å; F125-Y160 HydrophobicContact CE1-CD2 3.85Å; F125-Y160 HydrophobicContact CE1-CE1 4.47Å; F125-Y160 AromaticContact CE1-CE2 3.67Å; F125-Y160 HydrophobicContact CE1-CE2 3.67Å; F125-Y160 HydrophobicContact CE1-CG 4.33Å; F125-Y160 HydrophobicContact CZ-CD1 4.06Å; F125-Y160 AromaticContact CZ-CD2 3.91Å; F125-Y160 HydrophobicContact CZ-CD2 3.91Å; F125-Y160 HydrophobicContact CZ-CE1 4.21Å; F125-Y160 HydrophobicContact CZ-CE2 4.05Å; F125-Y160 AromaticContact CZ-CG 3.91Å; F125-Y160 HydrophobicContact CZ-CG 3.91Å; F125-L163 HydrophobicContact CE2-CD1 3.94Å; F125-L163 HydrophobicContact CZ-CD1 4.1Å; F125-K182 HydrophobicContact CE2-CD 4.46Å |
| 126 | D | 96.1 | Very high | 97.1 | Very high | 41 Ų | 41 | 39.9 Ų | 39.9 | 22% | 0.219 | 19% | 0.187 | C | C | . | . | trans | -72.9 | 96.2 | 173.3 | -177.8 | -5.7 | 0 | 0 | 0 | 110.8 | K90 D124 R128 W129 V130 | K90-D126 IonicContact NZ-OD2 2.73Å; K90-D126 PolarHBondContact NZ-OD2 3.17Å; D124-D126 WeakPolarHBondContact OD1-CB 3.16Å; D124-D126 PolarHBondContact OD1-N 3.27Å; D126-R128 PolarHBondContact O-N 2.88Å; D126-R128 VanDerWaalsContact O-N 3.09Å; D126-R128 WeakPolarHBondContact OD1-CB 3.4Å; D126-R128 PolarHBondContact OD1-N 2.97Å; D126-W129 HydrophobicContact CB-CB 4.02Å; D126-W129 WeakPolarHBondContact O-CA 3.33Å; D126-W129 WeakPolarHBondContact O-CB 3.44Å; D126-W129 PolarHBondContact O-N 2.83Å; D126-W129 PolarHBondContact OD1-N 3.5Å; D126-V130 WeakPolarHBondContact O-CG2 3.37Å; D126-V130 PolarHBondContact O-N 2.75Å | ||
| 127 | V | 94.3 | Very high | 97.1 | Very high | 98 Ų | 98 | 39.9 Ų | 39.9 | 59% | 0.594 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -52.7 | -33.8 | -179.7 | 179.3 | 0 | 0 | 0 | 0 | 112.9 | F125 T131 | F125-V127 PolarHBondContact O-N 3.23Å; V127-T131 WeakPolarHBondContact O-CB 3.42Å; V127-T131 PolarHBondContact O-N 3.38Å; V127-T131 PolarHBondContact O-OG1 3.01Å; V127-T131 VanDerWaalsContact O-OG1 3.09Å |
| 128 | R | 95.6 | Very high | 97.1 | Very high | 207 Ų | 207 | 42.9 Ų | 42.9 | 78% | 0.781 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -68.3 | -42.4 | 178.5 | -67.7 | -177.4 | -68 | -176.6 | -4.6 | 110.8 | D126 S132 | D126-R128 PolarHBondContact O-N 2.88Å; D126-R128 VanDerWaalsContact O-N 3.09Å; D126-R128 WeakPolarHBondContact OD1-CB 3.4Å; D126-R128 PolarHBondContact OD1-N 2.97Å; R128-S132 PolarHBondContact O-N 2.86Å; R128-S132 PolarHBondContact O-OG 3.13Å |
| 129 | W | 95.2 | Very high | 97 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 12% | 0.121 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -45.1 | 176.3 | -178.1 | 81 | 0 | 0 | 0 | 111.3 | V89 K90 I122 D124 D126 T131 S132 T133 | V89-W129 VanDerWaalsContact C-CH2 3.42Å; K90-W129 HydrophobicContact CB-CD2 3.73Å; K90-W129 HydrophobicContact CB-CE3 4.24Å; K90-W129 HydrophobicContact CB-CG 3.93Å; K90-W129 HydrophobicContact CB-CZ2 4.28Å; K90-W129 HydrophobicContact CD-CB 3.98Å; K90-W129 HydrophobicContact CD-CD2 4.48Å; K90-W129 HydrophobicContact CD-CG 3.8Å; K90-W129 HydrophobicContact CG-CD2 4.13Å; K90-W129 HydrophobicContact CG-CG 3.83Å; I122-W129 HydrophobicContact CG2-CE3 4.2Å; I122-W129 HydrophobicContact CG2-CH2 4.3Å; I122-W129 HydrophobicContact CG2-CZ3 3.53Å; D124-W129 HydrophobicContact CB-CD2 4.38Å; D124-W129 HydrophobicContact CB-CE3 3.37Å; D124-W129 HydrophobicContact CB-CH2 4.46Å; D124-W129 HydrophobicContact CB-CZ3 3.41Å; D124-W129 VanDerWaalsContact CB-CZ3 3.41Å; D126-W129 HydrophobicContact CB-CB 4.02Å; D126-W129 WeakPolarHBondContact O-CA 3.33Å; D126-W129 WeakPolarHBondContact O-CB 3.44Å; D126-W129 PolarHBondContact O-N 2.83Å; D126-W129 PolarHBondContact OD1-N 3.5Å; W129-T131 VanDerWaalsContact C-N 3.34Å; W129-T131 PolarHBondContact O-N 3.01Å; W129-S132 WeakPolarHBondContact CA-OG 3.18Å; W129-S132 PolarHBondContact O-N 2.88Å; W129-S132 PolarHBondContact O-OG 2.99Å; W129-T133 WeakPolarHBondContact O-CB 3.17Å; W129-T133 PolarHBondContact O-N 3.02Å; W129-T133 PolarHBondContact O-OG1 3.36Å; W129-T133 VanDerWaalsContact O-OG1 3.08Å |
| 130 | V | 96.5 | Very high | 97 | Very high | 7 Ų | 7 | 49.9 Ų | 49.9 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -53.2 | -52.4 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | L71 I122 D124 D126 S132 T133 V134 | L71-V130 HydrophobicContact CD1-CG1 3.71Å; I122-V130 HydrophobicContact CG2-CB 4.23Å; I122-V130 HydrophobicContact CG2-CG1 4.03Å; I122-V130 HydrophobicContact CG2-CG2 3.93Å; D124-V130 WeakPolarHBondContact O-CG2 3.18Å; D126-V130 WeakPolarHBondContact O-CG2 3.37Å; D126-V130 PolarHBondContact O-N 2.75Å; V130-S132 PolarHBondContact O-N 3.49Å; V130-T133 PolarHBondContact O-N 3.21Å; V130-V134 VanDerWaalsContact O-CG2 3.26Å; V130-V134 WeakPolarHBondContact O-CG2 3.22Å; V130-V134 PolarHBondContact O-N 3.43Å |
| 131 | T | 96.7 | Very high | 96.9 | Very high | 31 Ų | 31 | 50.2 Ų | 50.2 | 19% | 0.19 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.4 | -38.6 | -179.7 | -64.2 | 0 | 0 | 0 | 0 | 112.7 | Q41 V127 W129 R135 | Q41-T131 PolarHBondContact NE2-OG1 3.35Å; Q41-T131 PolarHBondContact OE1-OG1 3.18Å; V127-T131 WeakPolarHBondContact O-CB 3.42Å; V127-T131 PolarHBondContact O-N 3.38Å; V127-T131 PolarHBondContact O-OG1 3.01Å; V127-T131 VanDerWaalsContact O-OG1 3.09Å; W129-T131 VanDerWaalsContact C-N 3.34Å; W129-T131 PolarHBondContact O-N 3.01Å; T131-R135 WeakPolarHBondContact O-CB 3.48Å; T131-R135 PolarHBondContact O-N 3.35Å; T131-R135 VanDerWaalsContact O-N 3.09Å |
| 132 | S | 96.5 | Very high | 96.9 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 176.2 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | R128 W129 V130 R135 E136 | R128-S132 PolarHBondContact O-N 2.86Å; R128-S132 PolarHBondContact O-OG 3.13Å; W129-S132 WeakPolarHBondContact CA-OG 3.18Å; W129-S132 PolarHBondContact O-N 2.88Å; W129-S132 PolarHBondContact O-OG 2.99Å; V130-S132 PolarHBondContact O-N 3.49Å; S132-R135 PolarHBondContact O-N 3.04Å; S132-E136 PolarHBondContact O-N 3.39Å |
| 133 | T | 97 | Very high | 96.8 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.5 | -41.6 | -179.6 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | L97 I122 W129 V130 R135 E136 I137 | L97-T133 HydrophobicContact CD2-CG2 3.9Å; I122-T133 HydrophobicContact CD1-CG2 3.85Å; W129-T133 WeakPolarHBondContact O-CB 3.17Å; W129-T133 PolarHBondContact O-N 3.02Å; W129-T133 PolarHBondContact O-OG1 3.36Å; W129-T133 VanDerWaalsContact O-OG1 3.08Å; V130-T133 PolarHBondContact O-N 3.21Å; T133-R135 VanDerWaalsContact C-N 3.32Å; T133-R135 PolarHBondContact O-N 3.29Å; T133-E136 PolarHBondContact O-N 2.96Å; T133-I137 HydrophobicContact CG2-CD1 3.97Å; T133-I137 VanDerWaalsContact O-CG1 3.31Å; T133-I137 WeakPolarHBondContact O-CG1 3.45Å; T133-I137 PolarHBondContact O-N 3.02Å |
| 134 | V | 97.3 | Very high | 96.8 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -40 | 174.9 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | L71 A72 V130 I137 N138 V152 | L71-V134 HydrophobicContact CB-CG1 4.24Å; L71-V134 HydrophobicContact CB-CG2 3.89Å; L71-V134 HydrophobicContact CD1-CG2 3.61Å; L71-V134 HydrophobicContact CG-CG2 4.41Å; A72-V134 HydrophobicContact CB-CG1 4.47Å; V130-V134 VanDerWaalsContact O-CG2 3.26Å; V130-V134 WeakPolarHBondContact O-CG2 3.22Å; V130-V134 PolarHBondContact O-N 3.43Å; V134-I137 PolarHBondContact O-N 3.18Å; V134-N138 WeakPolarHBondContact O-CB 3.44Å; V134-N138 PolarHBondContact O-N 2.86Å; V134-V152 HydrophobicContact CG2-CG1 4.22Å |
| 135 | R | 97.8 | Very high | 96.9 | Very high | 166 Ų | 166 | 55 Ų | 55 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 176.2 | -174.7 | -176.2 | -64.6 | 141.4 | 0.6 | 111.6 | T131 S132 T133 N138 S139 | T131-R135 WeakPolarHBondContact O-CB 3.48Å; T131-R135 PolarHBondContact O-N 3.35Å; T131-R135 VanDerWaalsContact O-N 3.09Å; S132-R135 PolarHBondContact O-N 3.04Å; T133-R135 VanDerWaalsContact C-N 3.32Å; T133-R135 PolarHBondContact O-N 3.29Å; R135-N138 PolarHBondContact O-N 3.11Å; R135-S139 PolarHBondContact O-N 3.42Å; R135-S139 PolarHBondContact O-OG 3.46Å |
| 136 | E | 97.5 | Very high | 96.9 | Very high | 87 Ų | 87 | 58.1 Ų | 58.1 | 41% | 0.407 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60 | -50.9 | 176 | -171 | 178 | -168.5 | 0 | 0 | 110.6 | V98 S132 T133 N138 S139 T140 | V98-E136 HydrophobicContact CG2-CG 3.96Å; S132-E136 PolarHBondContact O-N 3.39Å; T133-E136 PolarHBondContact O-N 2.96Å; E136-N138 PolarHBondContact O-N 2.8Å; E136-S139 PolarHBondContact O-N 3.32Å; E136-S139 VanDerWaalsContact O-N 3.08Å; E136-S139 PolarHBondContact O-OG 3.09Å; E136-T140 PolarHBondContact O-N 2.99Å; E136-T140 PolarHBondContact O-OG1 2.97Å; E136-T140 VanDerWaalsContact O-OG1 3.08Å |
| 137 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 177.3 | -66.9 | 166.5 | 0 | 0 | 0 | 111.6 | L97 I122 T133 V134 S139 T140 F141 L145 L150 V152 | L97-I137 HydrophobicContact CD2-CD1 3.84Å; I122-I137 HydrophobicContact CD1-CD1 4.11Å; T133-I137 HydrophobicContact CG2-CD1 3.97Å; T133-I137 VanDerWaalsContact O-CG1 3.31Å; T133-I137 WeakPolarHBondContact O-CG1 3.45Å; T133-I137 PolarHBondContact O-N 3.02Å; V134-I137 PolarHBondContact O-N 3.18Å; I137-S139 VanDerWaalsContact C-N 3.26Å; I137-S139 PolarHBondContact O-N 3.42Å; I137-T140 PolarHBondContact O-N 3.31Å; I137-F141 HydrophobicContact CG2-CD2 4.08Å; I137-F141 PolarHBondContact O-N 2.88Å; I137-L145 HydrophobicContact CG2-CD1 4.3Å; I137-L145 HydrophobicContact CG2-CD2 4.45Å; I137-L150 HydrophobicContact CG2-CD2 3.72Å; I137-V152 HydrophobicContact CD1-CG1 4.37Å; I137-V152 HydrophobicContact CD1-CG2 4.2Å; I137-V152 HydrophobicContact CG2-CG2 3.77Å |
| 138 | N | 97.2 | Very high | 96.9 | Very high | 70 Ų | 70 | 60 Ų | 60 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.3 | -38.9 | 177.1 | -81.2 | -18.3 | 0 | 0 | 0 | 112.3 | A72 V134 R135 E136 L145 | A72-N138 WeakPolarHBondContact CB-OD1 3.5Å; V134-N138 WeakPolarHBondContact O-CB 3.44Å; V134-N138 PolarHBondContact O-N 2.86Å; R135-N138 PolarHBondContact O-N 3.11Å; E136-N138 PolarHBondContact O-N 2.8Å; N138-L145 VanDerWaalsContact OD1-CD1 3.25Å; N138-L145 WeakPolarHBondContact OD1-CD1 3.25Å |
| 139 | S | 97.4 | Very high | 97 | Very high | 91 Ų | 91 | 51.1 Ų | 51.1 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -73.8 | -34.6 | 179.1 | 71.4 | 0 | 0 | 0 | 0 | 113.1 | R135 E136 I137 | R135-S139 PolarHBondContact O-N 3.42Å; R135-S139 PolarHBondContact O-OG 3.46Å; E136-S139 PolarHBondContact O-N 3.32Å; E136-S139 VanDerWaalsContact O-N 3.08Å; E136-S139 PolarHBondContact O-OG 3.09Å; I137-S139 VanDerWaalsContact C-N 3.26Å; I137-S139 PolarHBondContact O-N 3.42Å |
| 140 | T | 97.9 | Very high | 97.1 | Very high | 56 Ų | 56 | 49.6 Ų | 49.6 | 34% | 0.344 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -88.8 | -32.1 | -173.9 | -52.2 | 0 | 0 | 0 | 0 | 113.3 | V98 E136 I137 | V98-T140 HydrophobicContact CG1-CG2 4.11Å; E136-T140 PolarHBondContact O-N 2.99Å; E136-T140 PolarHBondContact O-OG1 2.97Å; E136-T140 VanDerWaalsContact O-OG1 3.08Å; I137-T140 PolarHBondContact O-N 3.31Å |
| 141 | F | 98.1 | Very high | 97.2 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | trans | -124.7 | 31.8 | -170.1 | -56 | -77.6 | 0 | 0 | 0 | 113 | V98 L101 Q102 F105 I137 S143 E144 L145 L150 | V98-F141 HydrophobicContact CG1-CE2 4.19Å; V98-F141 HydrophobicContact CG1-CZ 4.23Å; V98-F141 HydrophobicContact CG2-CE2 4.37Å; L101-F141 HydrophobicContact CB-CE1 3.76Å; L101-F141 HydrophobicContact CB-CE2 3.8Å; L101-F141 HydrophobicContact CB-CZ 3.29Å; L101-F141 HydrophobicContact CD1-CD2 4.22Å; L101-F141 HydrophobicContact CD1-CE2 3.77Å; L101-F141 HydrophobicContact CD1-CZ 4.17Å; L101-F141 HydrophobicContact CG-CE2 4.47Å; L101-F141 HydrophobicContact CG-CZ 4.39Å; Q102-F141 HydrophobicContact CG-CE1 3.98Å; Q102-F141 HydrophobicContact CG-CZ 3.81Å; F105-F141 AromaticContact CD2-CD1 3.89Å; F105-F141 HydrophobicContact CD2-CD1 3.89Å; F105-F141 AromaticContact CD2-CE1 3.98Å; F105-F141 HydrophobicContact CD2-CE1 3.98Å; F105-F141 HydrophobicContact CE2-CD1 4.17Å; F105-F141 HydrophobicContact CE2-CE1 4.48Å; I137-F141 HydrophobicContact CG2-CD2 4.08Å; I137-F141 PolarHBondContact O-N 2.88Å; F141-S143 VanDerWaalsContact C-N 3.27Å; F141-S143 PolarHBondContact O-N 2.99Å; F141-E144 WeakPolarHBondContact CA-OE2 3.36Å; F141-E144 HydrophobicContact CB-CB 4.34Å; F141-E144 PolarHBondContact O-N 3.33Å; F141-E144 VanDerWaalsContact O-N 3.15Å; F141-L145 VanDerWaalsContact O-CG 3.26Å; F141-L145 WeakPolarHBondContact O-CG 3.25Å; F141-L145 PolarHBondContact O-N 3.13Å; F141-L150 HydrophobicContact CB-CD2 3.73Å; F141-L150 HydrophobicContact CD2-CD2 4.24Å; F141-L150 HydrophobicContact CG-CD2 4.04Å | ||
| 142 | A | 97.5 | Very high | 97.3 | Very high | 47 Ų | 47 | 47.9 Ų | 47.9 | 39% | 0.388 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -52.1 | -44.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L145 D146 | A142-L145 PolarHBondContact O-N 3.33Å; A142-D146 WeakPolarHBondContact O-CB 3.34Å; A142-D146 VanDerWaalsContact O-CG 3.23Å; A142-D146 PolarHBondContact O-N 3.13Å |
| 143 | S | 96.6 | Very high | 97.4 | Very high | 55 Ų | 55 | 45.2 Ų | 45.2 | 39% | 0.385 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.1 | -45.2 | 178.9 | 171.7 | 0 | 0 | 0 | 0 | 112.4 | F141 L145 D146 R147 | F141-S143 VanDerWaalsContact C-N 3.27Å; F141-S143 PolarHBondContact O-N 2.99Å; S143-L145 VanDerWaalsContact C-N 3.34Å; S143-D146 PolarHBondContact O-N 3.41Å; S143-R147 WeakPolarHBondContact O-CB 3.29Å; S143-R147 WeakPolarHBondContact O-CD 3.32Å; S143-R147 WeakPolarHBondContact O-CG 3.47Å; S143-R147 PolarHBondContact O-N 2.96Å; S143-R147 PolarHBondContact OG-NE 2.93Å |
| 144 | E | 97.8 | Very high | 97.5 | Very high | 23 Ų | 23 | 46 Ų | 46 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 179.7 | -69.3 | 68.7 | -157.3 | 0 | 0 | 111.6 | F105 R113 F141 G148 Q149 L150 | F105-E144 HydrophobicContact CD1-CG 3.73Å; F105-E144 HydrophobicContact CD2-CG 3.93Å; F105-E144 HydrophobicContact CE1-CB 4.25Å; F105-E144 HydrophobicContact CE1-CG 3.74Å; F105-E144 HydrophobicContact CE2-CB 4.26Å; F105-E144 HydrophobicContact CE2-CG 3.95Å; F105-E144 HydrophobicContact CG-CG 3.84Å; F105-E144 HydrophobicContact CZ-CB 4.02Å; F105-E144 HydrophobicContact CZ-CG 3.86Å; R113-E144 IonicContact NH1-OE1 2.65Å; R113-E144 PolarHBondContact NH1-OE1 3.13Å; F141-E144 WeakPolarHBondContact CA-OE2 3.36Å; F141-E144 HydrophobicContact CB-CB 4.34Å; F141-E144 PolarHBondContact O-N 3.33Å; F141-E144 VanDerWaalsContact O-N 3.15Å; E144-G148 PolarHBondContact O-N 3.36Å; E144-Q149 HydrophobicContact CB-CB 4.22Å; E144-Q149 WeakPolarHBondContact O-CA 3.4Å; E144-Q149 WeakPolarHBondContact O-CB 3.32Å; E144-Q149 PolarHBondContact O-N 2.82Å; E144-L150 HydrophobicContact CB-CB 4.05Å; E144-L150 PolarHBondContact O-N 3.46Å; E144-L150 VanDerWaalsContact O-N 3.11Å |
| 145 | L | 97.9 | Very high | 97.5 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.9 | -47.6 | 175.3 | -67.7 | 165.9 | 0 | 0 | 0 | 111.6 | A72 T74 I137 N138 F141 A142 S143 R147 G148 L150 V152 | A72-L145 HydrophobicContact CB-CD1 4.28Å; A72-L145 HydrophobicContact CB-CD2 3.8Å; T74-L145 PolarHBondContact N-O 3.46Å; I137-L145 HydrophobicContact CG2-CD1 4.3Å; I137-L145 HydrophobicContact CG2-CD2 4.45Å; N138-L145 VanDerWaalsContact OD1-CD1 3.25Å; N138-L145 WeakPolarHBondContact OD1-CD1 3.25Å; F141-L145 VanDerWaalsContact O-CG 3.26Å; F141-L145 WeakPolarHBondContact O-CG 3.25Å; F141-L145 PolarHBondContact O-N 3.13Å; A142-L145 PolarHBondContact O-N 3.33Å; S143-L145 VanDerWaalsContact C-N 3.34Å; L145-R147 VanDerWaalsContact C-N 3.31Å; L145-R147 PolarHBondContact O-N 2.88Å; L145-G148 PolarHBondContact O-N 2.89Å; L145-G148 VanDerWaalsContact O-N 3.12Å; L145-L150 HydrophobicContact CD2-CB 3.92Å; L145-L150 HydrophobicContact CD2-CD2 3.85Å; L145-L150 HydrophobicContact CD2-CG 3.74Å; L145-L150 HydrophobicContact CG-CB 4.37Å; L145-L150 HydrophobicContact CG-CD2 4.19Å; L145-L150 HydrophobicContact CG-CG 4.46Å; L145-V152 HydrophobicContact CD2-CG2 4.12Å |
| 146 | D | 95.7 | Very high | 97.4 | Very high | 127 Ų | 127 | 39.5 Ų | 39.5 | 68% | 0.679 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -64.3 | -36.5 | -179.7 | -72.6 | -15.7 | 0 | 0 | 0 | 111.8 | A142 S143 G148 | A142-D146 WeakPolarHBondContact O-CB 3.34Å; A142-D146 VanDerWaalsContact O-CG 3.23Å; A142-D146 PolarHBondContact O-N 3.13Å; S143-D146 PolarHBondContact O-N 3.41Å; D146-G148 PolarHBondContact O-N 2.69Å |
| 147 | R | 95.1 | Very high | 97.4 | Very high | 176 Ų | 176 | 40.9 Ų | 40.9 | 66% | 0.664 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -1.5 | 177.2 | -67.8 | 171.9 | -174.8 | -92.4 | -0.6 | 113.7 | S143 L145 Q149 | S143-R147 WeakPolarHBondContact O-CB 3.29Å; S143-R147 WeakPolarHBondContact O-CD 3.32Å; S143-R147 WeakPolarHBondContact O-CG 3.47Å; S143-R147 PolarHBondContact O-N 2.96Å; S143-R147 PolarHBondContact OG-NE 2.93Å; L145-R147 VanDerWaalsContact C-N 3.31Å; L145-R147 PolarHBondContact O-N 2.88Å; R147-Q149 HydrophobicContact CB-CG 3.9Å; R147-Q149 PolarHBondContact O-N 3.31Å |
| 148 | G | 95.4 | Very high | 97.2 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 25.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T74 E144 L145 D146 | T74-G148 WeakPolarHBondContact O-CA 3.42Å; E144-G148 PolarHBondContact O-N 3.36Å; L145-G148 PolarHBondContact O-N 2.89Å; L145-G148 VanDerWaalsContact O-N 3.12Å; D146-G148 PolarHBondContact O-N 2.69Å |
| 149 | Q | 97.3 | Very high | 97.2 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -89.4 | -21.4 | 176.6 | -63.1 | 174.3 | -31.8 | 0 | 0 | 111.9 | F105 R113 V118 E144 R147 | F105-Q149 HydrophobicContact CE1-CB 4.29Å; R113-Q149 PolarHBondContact O-NE2 3.25Å; R113-Q149 VanDerWaalsContact O-NE2 3.17Å; V118-Q149 PolarHBondContact N-O 2.85Å; E144-Q149 HydrophobicContact CB-CB 4.22Å; E144-Q149 WeakPolarHBondContact O-CA 3.4Å; E144-Q149 WeakPolarHBondContact O-CB 3.32Å; E144-Q149 PolarHBondContact O-N 2.82Å; R147-Q149 HydrophobicContact CB-CG 3.9Å; R147-Q149 PolarHBondContact O-N 3.31Å |
| 150 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132.2 | 173.1 | -179 | 59.7 | 0 | 0 | 0 | 109.5 | L101 F105 V118 V120 I137 F141 E144 L145 V152 | L101-L150 HydrophobicContact CD1-CD2 4.32Å; L101-L150 HydrophobicContact CD2-CD1 3.97Å; F105-L150 HydrophobicContact CE2-CB 4.46Å; F105-L150 HydrophobicContact CE2-CD2 4.38Å; F105-L150 HydrophobicContact CZ-CB 4.03Å; F105-L150 HydrophobicContact CZ-CD1 4.48Å; V118-L150 HydrophobicContact CB-CD1 3.91Å; V118-L150 HydrophobicContact CG1-CD1 3.95Å; V118-L150 CarbonylContact O-C 3.45Å; V118-L150 WeakPolarHBondContact O-CA 3.46Å; V120-L150 HydrophobicContact CG2-CD1 3.77Å; I137-L150 HydrophobicContact CG2-CD2 3.72Å; F141-L150 HydrophobicContact CB-CD2 3.73Å; F141-L150 HydrophobicContact CD2-CD2 4.24Å; F141-L150 HydrophobicContact CG-CD2 4.04Å; E144-L150 HydrophobicContact CB-CB 4.05Å; E144-L150 PolarHBondContact O-N 3.46Å; E144-L150 VanDerWaalsContact O-N 3.11Å; L145-L150 HydrophobicContact CD2-CB 3.92Å; L145-L150 HydrophobicContact CD2-CD2 3.85Å; L145-L150 HydrophobicContact CD2-CG 3.74Å; L145-L150 HydrophobicContact CG-CB 4.37Å; L145-L150 HydrophobicContact CG-CD2 4.19Å; L145-L150 HydrophobicContact CG-CG 4.46Å; L150-V152 HydrophobicContact CG-CG2 4.43Å |
| 151 | L | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.2 | 171.9 | -58.9 | 179 | 0 | 0 | 0 | 109 | L70 P75 V117 V118 V119 V120 Y193 L197 | L70-L151 HydrophobicContact CD1-CD2 4.45Å; P75-L151 HydrophobicContact CB-CD1 4.46Å; P75-L151 HydrophobicContact CG-CD2 4.19Å; V117-L151 HydrophobicContact CG2-CD1 3.92Å; V117-L151 HydrophobicContact CG2-CG 3.92Å; V118-L151 PolarHBondContact O-N 3.46Å; V119-L151 WeakPolarHBondContact CA-O 3.29Å; V119-L151 HydrophobicContact CG2-CB 4.43Å; V119-L151 HydrophobicContact CG2-CD1 4.38Å; V120-L151 PolarHBondContact N-O 2.96Å; L151-Y193 HydrophobicContact CD1-CE1 4.35Å; L151-L197 HydrophobicContact CD1-CD1 4.18Å |
| 152 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117 | 176.4 | -171.8 | 0 | 0 | 0 | 0 | 108.4 | L71 A72 V120 I122 V134 I137 L145 L150 | L71-V152 HydrophobicContact CB-CB 4.48Å; L71-V152 HydrophobicContact CB-CG1 4.23Å; L71-V152 PolarHBondContact N-O 2.74Å; A72-V152 HydrophobicContact CB-CB 3.97Å; A72-V152 HydrophobicContact CB-CG2 3.96Å; A72-V152 PolarHBondContact N-O 2.94Å; A72-V152 PolarHBondContact O-N 2.8Å; V120-V152 WeakPolarHBondContact O-CA 3.47Å; I122-V152 HydrophobicContact CD1-CG1 4.11Å; I122-V152 HydrophobicContact CG1-CG1 3.51Å; V134-V152 HydrophobicContact CG2-CG1 4.22Å; I137-V152 HydrophobicContact CD1-CG1 4.37Å; I137-V152 HydrophobicContact CD1-CG2 4.2Å; I137-V152 HydrophobicContact CG2-CG2 3.77Å; L145-V152 HydrophobicContact CD2-CG2 4.12Å; L150-V152 HydrophobicContact CG-CG2 4.43Å |
| 153 | I | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 160 | -177.4 | 64.8 | 171.6 | 0 | 0 | 0 | 111.5 | Y68 Q69 L70 V119 V120 L121 I122 Y193 | Y68-I153 HydrophobicContact CD1-CD1 4.18Å; Q69-I153 CarbonylContact O-C 3.44Å; Q69-I153 VanDerWaalsContact O-CA 3.23Å; Q69-I153 WeakPolarHBondContact O-CA 3.38Å; L70-I153 HydrophobicContact CD1-CG2 4.18Å; V119-I153 HydrophobicContact CG1-CD1 3.79Å; V119-I153 HydrophobicContact CG1-CG1 4.11Å; V120-I153 PolarHBondContact O-N 3.12Å; L121-I153 WeakPolarHBondContact CA-O 3.38Å; L121-I153 HydrophobicContact CB-CD1 4.48Å; L121-I153 HydrophobicContact CB-CG1 4.17Å; L121-I153 HydrophobicContact CD1-CD1 4.21Å; L121-I153 HydrophobicContact CD1-CG1 3.9Å; I122-I153 PolarHBondContact N-O 2.7Å; I153-Y193 HydrophobicContact CD1-CD1 3.64Å; I153-Y193 HydrophobicContact CD1-CD2 4.25Å; I153-Y193 HydrophobicContact CD1-CE1 4.22Å; I153-Y193 HydrophobicContact CD1-CG 3.64Å; I153-Y193 HydrophobicContact CG2-CD1 4.32Å; I153-Y193 HydrophobicContact CG2-CE1 3.81Å; I153-Y193 HydrophobicContact CG2-CE2 4.24Å |
| 154 | H | 98.1 | Very high | 96.6 | Very high | 21 Ų | 21 | 49.9 Ų | 49.9 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 151.6 | 173.7 | 179.4 | 70.8 | 0 | 0 | 0 | 111.2 | Q69 L71 I122 D124 | Q69-H154 HydrophobicContact CB-CB 4.41Å; Q69-H154 PolarHBondContact N-O 3.34Å; Q69-H154 PolarHBondContact O-N 3.48Å; Q69-H154 PolarHBondContact OE1-CD2 3.05Å; L71-H154 HydrophobicContact CD1-CB 3.5Å; L71-H154 HydrophobicContact CD2-CB 4.29Å; L71-H154 HydrophobicContact CG-CB 3.88Å; I122-H154 PolarHBondContact O-ND1 3.38Å; D124-H154 PolarHBondContact O-CE1 2.92Å; D124-H154 VanDerWaalsContact O-CE1 3.31Å |
| 155 | V | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -126 | 122.9 | 173.5 | 178.8 | 0 | 0 | 0 | 0 | 108.1 | V66 Y68 L121 W159 Y160 F189 | V66-V155 HydrophobicContact CG2-CG1 3.6Å; V66-V155 HydrophobicContact CG2-CG2 4.07Å; Y68-V155 HydrophobicContact CD1-CG2 3.56Å; Y68-V155 HydrophobicContact CE1-CG2 3.72Å; L121-V155 HydrophobicContact CD1-CG2 4.02Å; V155-W159 HydrophobicContact CG1-CB 3.74Å; V155-W159 HydrophobicContact CG1-CG 4.26Å; V155-Y160 HydrophobicContact CB-CE2 4.16Å; V155-Y160 HydrophobicContact CG1-CD2 4.46Å; V155-Y160 HydrophobicContact CG1-CE2 3.9Å; V155-F189 HydrophobicContact CB-CD2 4.11Å; V155-F189 HydrophobicContact CG1-CD2 3.74Å; V155-F189 HydrophobicContact CG1-CE2 3.78Å; V155-F189 HydrophobicContact CG2-CB 4.2Å; V155-F189 HydrophobicContact CG2-CD2 4.15Å; V155-F189 HydrophobicContact CG2-CG 4.4Å | ||
| 156 | S | 96 | Very high | 95.9 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | trans | -64.4 | 145.1 | 178.7 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | K158 W159 | S156-K158 PolarHBondContact O-N 3.34Å; S156-W159 PolarHBondContact O-N 2.91Å | ||
| 157 | Q | 96.5 | Very high | 95.5 | Very high | 116 Ų | 116 | 52.8 Ų | 52.8 | 54% | 0.542 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -50.6 | -29.5 | 178.1 | -173.7 | 174.4 | 2 | 0 | 0 | 113.8 | F125 W159 Y160 | F125-Q157 HydrophobicContact CD1-CB 3.79Å; F125-Q157 HydrophobicContact CD1-CG 4.29Å; F125-Q157 HydrophobicContact CD2-CB 4.35Å; F125-Q157 HydrophobicContact CD2-CG 4.01Å; F125-Q157 HydrophobicContact CE1-CB 3.75Å; F125-Q157 HydrophobicContact CE1-CG 4.05Å; F125-Q157 HydrophobicContact CE2-CB 4.32Å; F125-Q157 HydrophobicContact CE2-CG 3.75Å; F125-Q157 HydrophobicContact CG-CB 4.11Å; F125-Q157 HydrophobicContact CG-CG 4.28Å; F125-Q157 HydrophobicContact CZ-CB 4.02Å; F125-Q157 HydrophobicContact CZ-CG 3.78Å; Q157-W159 PolarHBondContact O-N 3.43Å; Q157-W159 VanDerWaalsContact O-N 3.11Å; Q157-Y160 WeakPolarHBondContact O-CB 3.39Å; Q157-Y160 PolarHBondContact O-N 2.9Å |
| 158 | K | 96 | Very high | 94.9 | Very high | 157 Ų | 157 | 51.1 Ų | 51.1 | 68% | 0.683 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -59.9 | -21.8 | 178.8 | 72.2 | 179 | -176.7 | 173.2 | 0 | 114.5 | S156 | S156-K158 PolarHBondContact O-N 3.34Š|
| 159 | W | 96.8 | Very high | 93.9 | Very high | 79 Ų | 79 | 53 Ų | 53 | 30% | 0.299 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -89.9 | -9.8 | 178.1 | -67.5 | 113.2 | 0 | 0 | 0 | 112.9 | N65 V66 T67 V155 S156 Q157 F189 | N65-W159 HydrophobicContact CB-CZ3 4.33Å; N65-W159 WeakPolarHBondContact O-CZ3 3.19Å; V66-W159 HydrophobicContact CG2-CB 4.1Å; V66-W159 HydrophobicContact CG2-CG 4.16Å; T67-W159 WeakPolarHBondContact OG1-CZ2 3.49Å; V155-W159 HydrophobicContact CG1-CB 3.74Å; V155-W159 HydrophobicContact CG1-CG 4.26Å; S156-W159 PolarHBondContact O-N 2.91Å; Q157-W159 PolarHBondContact O-N 3.43Å; Q157-W159 VanDerWaalsContact O-N 3.11Å; W159-F189 HydrophobicContact CB-CZ 4.46Å; W159-F189 WeakPolarHBondContact O-CZ 3.5Å |
| 160 | Y | 97.3 | Very high | 92.9 | Very high | 20 Ų | 20 | 57.5 Ų | 57.5 | 8% | 0.078 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -78.7 | 140 | 177.6 | -74.7 | -107 | 0 | 0 | 0 | 110.2 | F125 V155 Q157 L163 K182 V185 D186 F189 | F125-Y160 AromaticContact CE1-CD2 3.85Å; F125-Y160 HydrophobicContact CE1-CD2 3.85Å; F125-Y160 HydrophobicContact CE1-CE1 4.47Å; F125-Y160 AromaticContact CE1-CE2 3.67Å; F125-Y160 HydrophobicContact CE1-CE2 3.67Å; F125-Y160 HydrophobicContact CE1-CG 4.33Å; F125-Y160 HydrophobicContact CZ-CD1 4.06Å; F125-Y160 AromaticContact CZ-CD2 3.91Å; F125-Y160 HydrophobicContact CZ-CD2 3.91Å; F125-Y160 HydrophobicContact CZ-CE1 4.21Å; F125-Y160 HydrophobicContact CZ-CE2 4.05Å; F125-Y160 AromaticContact CZ-CG 3.91Å; F125-Y160 HydrophobicContact CZ-CG 3.91Å; V155-Y160 HydrophobicContact CB-CE2 4.16Å; V155-Y160 HydrophobicContact CG1-CD2 4.46Å; V155-Y160 HydrophobicContact CG1-CE2 3.9Å; Q157-Y160 WeakPolarHBondContact O-CB 3.39Å; Q157-Y160 PolarHBondContact O-N 2.9Å; Y160-L163 HydrophobicContact CD1-CD1 4.19Å; Y160-K182 HydrophobicContact CD1-CG 4.45Å; Y160-K182 HydrophobicContact CE1-CG 4.2Å; Y160-V185 HydrophobicContact CD1-CB 3.98Å; Y160-V185 HydrophobicContact CD1-CG1 3.46Å; Y160-V185 VanDerWaalsContact CD1-CG1 3.46Å; Y160-V185 HydrophobicContact CE1-CB 4.04Å; Y160-V185 HydrophobicContact CE1-CG1 3.62Å; Y160-V185 HydrophobicContact CG-CG1 4.21Å; Y160-D186 WeakPolarHBondContact CE1-OD1 3.49Å; Y160-D186 PolarHBondContact OH-OD1 3.38Å; Y160-F189 HydrophobicContact CD1-CE2 4.36Å; Y160-F189 HydrophobicContact CD2-CE2 4.06Å; Y160-F189 HydrophobicContact CE1-CD2 4.43Å; Y160-F189 HydrophobicContact CE1-CE2 4.23Å; Y160-F189 HydrophobicContact CE2-CD2 4.23Å; Y160-F189 AromaticContact CE2-CE2 3.94Å; Y160-F189 HydrophobicContact CE2-CE2 3.94Å; Y160-F189 HydrophobicContact CG-CE2 4.27Å |
| 161 | P | 96.1 | Very high | 91.9 | Very high | 23 Ų | 23 | 64.8 Ų | 64.8 | 15% | 0.149 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 171.5 | 168.2 | 34.4 | -36.4 | 0 | 0 | 0 | 110 | L163 V185 F260 Y263 | P161-L163 PolarHBondContact O-N 2.8Å; P161-V185 HydrophobicContact CG-CG2 3.77Å; P161-F260 HydrophobicContact CB-CZ 4.48Å; P161-F260 HydrophobicContact CG-CE2 4.17Å; P161-F260 HydrophobicContact CG-CZ 4.29Å; P161-Y263 HydrophobicContact CB-CE1 4.01Å; P161-Y263 HydrophobicContact CB-CE2 4.32Å; P161-Y263 HydrophobicContact CG-CD1 4.29Å; P161-Y263 HydrophobicContact CG-CD2 4.14Å; P161-Y263 HydrophobicContact CG-CE1 3.83Å; P161-Y263 HydrophobicContact CG-CE2 3.69Å; P161-Y263 HydrophobicContact CG-CG 4.43Å |
| 162 | P | 95.6 | Very high | 91 | Very high | 93 Ų | 93 | 66.7 Ų | 66.7 | 60% | 0.604 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 127.4 | 177.5 | -27.4 | 35.7 | 0 | 0 | 0 | 112 | L166 Y263 | P162-L166 WeakPolarHBondContact O-CD2 3.41Å; P162-Y263 WeakPolarHBondContact O-CE2 3.49Å; P162-Y263 PolarHBondContact O-OH 2.99Å |
| 163 | L | 94.4 | Very high | 90.4 | Very high | 29 Ų | 29 | 69 Ų | 69 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | trans | -105.4 | 4.1 | 178.5 | -61.4 | 179.1 | 0 | 0 | 0 | 112.8 | F125 Y160 P161 L166 S178 K182 Y263 | F125-L163 HydrophobicContact CE2-CD1 3.94Å; F125-L163 HydrophobicContact CZ-CD1 4.1Å; Y160-L163 HydrophobicContact CD1-CD1 4.19Å; P161-L163 PolarHBondContact O-N 2.8Å; L163-L166 WeakPolarHBondContact O-CD1 3.37Å; L163-S178 WeakPolarHBondContact O-CB 3.16Å; L163-S178 PolarHBondContact O-OG 2.84Å; L163-K182 HydrophobicContact CD1-CB 4.08Å; L163-K182 HydrophobicContact CD1-CD 4.11Å; L163-K182 HydrophobicContact CD1-CG 3.82Å; L163-K182 HydrophobicContact CD2-CB 3.97Å; L163-K182 HydrophobicContact CD2-CG 4.38Å; L163-Y263 HydrophobicContact CD2-CE2 4.4Å | ||
| 164 | T | 91.9 | Very high | 89.8 | Confident | 114 Ų | 114 | 72.8 Ų | 72.8 | 70% | 0.699 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -125 | 161.2 | 176.3 | 57.5 | 0 | 0 | 0 | 0 | 109.1 | L166 | T164-L166 PolarHBondContact O-N 2.86Š|
| 165 | G | 89.1 | Confident | 89.2 | Confident | 88 Ų | 88 | 75 Ų | 75 | 91% | 0.907 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 66.6 | 23.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 166 | L | 91.4 | Very high | 88.6 | Confident | 19 Ų | 19 | 79.8 Ų | 79.8 | 10% | 0.099 | 42% | 0.422 | C | S | . | . | trans | -73.7 | 152.9 | -175.6 | -62.6 | 171.4 | 0 | 0 | 0 | 112.2 | P162 L163 T164 R168 V177 Y263 Q264 | P162-L166 WeakPolarHBondContact O-CD2 3.41Å; L163-L166 WeakPolarHBondContact O-CD1 3.37Å; T164-L166 PolarHBondContact O-N 2.86Å; L166-R168 PolarHBondContact O-N 3.46Å; L166-V177 HydrophobicContact CB-CG1 3.61Å; L166-V177 HydrophobicContact CD1-CG1 3.96Å; L166-V177 HydrophobicContact CG-CG1 4.47Å; L166-Y263 HydrophobicContact CD2-CE2 3.94Å; L166-Q264 HydrophobicContact CD2-CB 4.44Å; L166-Q264 HydrophobicContact CD2-CG 3.78Å | ||
| 167 | K | 87 | Confident | 88.2 | Confident | 110 Ų | 110 | 78.1 Ų | 78.1 | 48% | 0.478 | 41% | 0.41 | S | S | . | . | trans | -59.2 | 132.2 | 173 | -63.3 | -179.4 | -172.9 | 170.7 | 0 | 110.9 | N169 V177 E265 | K167-N169 PolarHBondContact O-N 3.31Å; K167-V177 WeakPolarHBondContact O-CG1 3.23Å; K167-E265 IonicContact NZ-OE1 2.71Å; K167-E265 PolarHBondContact NZ-OE1 3.38Å; K167-E265 IonicContact NZ-OE2 3.99Å | ||
| 168 | R | 81.7 | Confident | 88 | Confident | 142 Ų | 142 | 74.3 Ų | 74.3 | 54% | 0.536 | 40% | 0.397 | S | S | . | . | trans | -92.2 | 76.5 | 177.7 | -62.5 | -171.5 | 78.1 | -170.6 | 0.7 | 110.4 | L166 D172 | L166-R168 PolarHBondContact O-N 3.46Å; R168-D172 PolarHBondContact NE-O 2.64Å; R168-D172 PolarHBondContact NH2-O 3.34Å | ||
| 169 | N | 74.8 | Confident | 87.7 | Confident | 44 Ų | 44 | 69.2 Ų | 69.2 | 24% | 0.235 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | -81.1 | 142.3 | 168.2 | -56.8 | -19.4 | 0 | 0 | 0 | 108.5 | K167 N171 R180 E265 | K167-N169 PolarHBondContact O-N 3.31Å; N169-N171 PolarHBondContact O-N 2.95Å; N169-R180 PolarHBondContact O-NH2 2.72Å; N169-E265 WeakPolarHBondContact ND2-CA 3.32Å; N169-E265 PolarHBondContact ND2-O 2.94Å; N169-E265 PolarHBondContact ND2-OE2 3.45Å |
| 170 | Y | 76.8 | Confident | 87.4 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 45% | 0.447 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | 71 | 16.5 | 174.2 | -42.3 | -69.9 | 0 | 0 | 0 | 117.7 | D172 E265 M266 W270 | Y170-D172 PolarHBondContact O-N 2.78Å; Y170-D172 VanDerWaalsContact O-N 3.11Å; Y170-E265 WeakPolarHBondContact CE2-O 3.29Å; Y170-M266 HydrophobicContact CE2-CB 4.46Å; Y170-M266 HydrophobicContact CE2-CG 4.13Å; Y170-M266 WeakPolarHBondContact OH-CE 3.43Å; Y170-M266 WeakPolarHBondContact OH-CG 3.29Å; Y170-W270 HydrophobicContact CD1-CZ3 4.16Å; Y170-W270 AromaticContact CE1-CZ3 3.78Å; Y170-W270 HydrophobicContact CE1-CZ3 3.78Å; Y170-W270 HydrophobicContact CE2-CZ3 4.23Å; Y170-W270 AromaticContact CZ-CZ3 3.82Å |
| 171 | N | 78.2 | Confident | 87.3 | Confident | 152 Ų | 152 | 64.7 Ų | 64.7 | 81% | 0.813 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | 58.8 | 21.8 | 176.4 | -154.5 | 29.5 | 0 | 0 | 0 | 114.8 | N169 | N169-N171 PolarHBondContact O-N 2.95Š|
| 172 | D | 78.2 | Confident | 87.4 | Confident | 42 Ų | 42 | 65.1 Ų | 65.1 | 23% | 0.225 | 36% | 0.357 | C | S | . | . | trans | -62.2 | 148.4 | 173.2 | -81.2 | -30.9 | 0 | 0 | 0 | 111.5 | R168 Y170 R176 V177 R180 | R168-D172 PolarHBondContact NE-O 2.64Å; R168-D172 PolarHBondContact NH2-O 3.34Å; Y170-D172 PolarHBondContact O-N 2.78Å; Y170-D172 VanDerWaalsContact O-N 3.11Å; D172-R176 HydrophobicContact CB-CB 4.21Å; D172-R176 HydrophobicContact CB-CG 4.15Å; D172-V177 HydrophobicContact CB-CG2 3.55Å; D172-R180 IonicContact OD2-NE 3.26Å; D172-R180 PolarHBondContact OD2-NE 2.86Å; D172-R180 VanDerWaalsContact OD2-NE 3.09Å | ||
| 173 | A | 85.8 | Confident | 87.4 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 40% | 0.397 | 33% | 0.334 | S | S | . | . | trans | -61.1 | 148.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | D175 R176 V177 | A173-D175 VanDerWaalsContact C-N 3.26Å; A173-D175 WeakPolarHBondContact CB-OD1 3.25Å; A173-D175 PolarHBondContact O-N 3.48Å; A173-R176 WeakPolarHBondContact O-CA 3.19Å; A173-R176 WeakPolarHBondContact O-CB 3.48Å; A173-R176 PolarHBondContact O-N 2.9Å; A173-V177 PolarHBondContact O-N 2.82Å | ||
| 174 | P | 86.7 | Confident | 87.5 | Confident | 79 Ų | 79 | 60.5 Ų | 60.5 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.4 | -38.2 | -172.9 | -26.6 | 36 | 0 | 0 | 0 | 114 | V177 S178 | P174-V177 PolarHBondContact O-N 3.43Å; P174-S178 PolarHBondContact O-N 2.95Å; P174-S178 PolarHBondContact O-OG 2.91Å |
| 175 | D | 86.4 | Confident | 87.8 | Confident | 68 Ų | 68 | 55 Ų | 55 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -68 | -36.1 | 177.1 | 63.9 | -33.3 | 0 | 0 | 0 | 112.6 | A173 S178 F179 F301 Q302 | A173-D175 VanDerWaalsContact C-N 3.26Å; A173-D175 WeakPolarHBondContact CB-OD1 3.25Å; A173-D175 PolarHBondContact O-N 3.48Å; D175-S178 PolarHBondContact O-N 3.26Å; D175-F179 VanDerWaalsContact O-CB 3.32Å; D175-F179 WeakPolarHBondContact O-CB 2.76Å; D175-F179 PolarHBondContact O-N 3Å; D175-F301 HydrophobicContact CB-CE2 4.42Å; D175-F301 HydrophobicContact CB-CZ 4.5Å; D175-F301 WeakPolarHBondContact OD2-CZ 2.99Å; D175-Q302 PolarHBondContact OD2-NE2 3Å |
| 176 | R | 84.1 | Confident | 88.3 | Confident | 100 Ų | 100 | 51.1 Ų | 51.1 | 38% | 0.377 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 172.2 | -176.7 | 62.9 | 174.8 | -148.7 | 1.8 | 111.4 | D172 A173 F179 R180 F301 | D172-R176 HydrophobicContact CB-CB 4.21Å; D172-R176 HydrophobicContact CB-CG 4.15Å; A173-R176 WeakPolarHBondContact O-CA 3.19Å; A173-R176 WeakPolarHBondContact O-CB 3.48Å; A173-R176 PolarHBondContact O-N 2.9Å; R176-F179 PolarHBondContact O-N 3.09Å; R176-R180 WeakPolarHBondContact O-CG 3.43Å; R176-R180 PolarHBondContact O-N 2.9Å; R176-F301 VanDerWaalsContact CA-CZ 3.47Å; R176-F301 HydrophobicContact CB-CE1 4.1Å; R176-F301 HydrophobicContact CB-CE2 4.21Å; R176-F301 HydrophobicContact CB-CZ 3.62Å; R176-F301 HydrophobicContact CG-CE1 4.41Å; R176-F301 HydrophobicContact CG-CZ 4.33Å |
| 177 | V | 88.6 | Confident | 88.6 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -49.1 | 175.2 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | L166 K167 D172 A173 P174 F179 R180 S181 | L166-V177 HydrophobicContact CB-CG1 3.61Å; L166-V177 HydrophobicContact CD1-CG1 3.96Å; L166-V177 HydrophobicContact CG-CG1 4.47Å; K167-V177 WeakPolarHBondContact O-CG1 3.23Å; D172-V177 HydrophobicContact CB-CG2 3.55Å; A173-V177 PolarHBondContact O-N 2.82Å; P174-V177 PolarHBondContact O-N 3.43Å; V177-F179 VanDerWaalsContact C-N 3.32Å; V177-F179 PolarHBondContact O-N 3.41Å; V177-R180 WeakPolarHBondContact O-CG 3.37Å; V177-S181 VanDerWaalsContact O-CB 3.23Å; V177-S181 WeakPolarHBondContact O-CB 3.33Å; V177-S181 PolarHBondContact O-N 2.84Å; V177-S181 PolarHBondContact O-OG 2.85Å |
| 178 | S | 91.3 | Very high | 89.2 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 26% | 0.259 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.6 | -43.2 | 175.3 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | L163 P174 D175 K182 | L163-S178 WeakPolarHBondContact O-CB 3.16Å; L163-S178 PolarHBondContact O-OG 2.84Å; P174-S178 PolarHBondContact O-N 2.95Å; P174-S178 PolarHBondContact O-OG 2.91Å; D175-S178 PolarHBondContact O-N 3.26Å; S178-K182 VanDerWaalsContact O-CB 3.29Å; S178-K182 WeakPolarHBondContact O-CB 3.35Å; S178-K182 PolarHBondContact O-N 3.28Å |
| 179 | F | 90.4 | Very high | 90 | Very high | 49 Ų | 49 | 38.6 Ų | 38.6 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.8 | -54.3 | 179 | -179.7 | -91.3 | 0 | 0 | 0 | 112.3 | D175 R176 V177 S181 K182 Q183 S300 F301 | D175-F179 VanDerWaalsContact O-CB 3.32Å; D175-F179 WeakPolarHBondContact O-CB 2.76Å; D175-F179 PolarHBondContact O-N 3Å; R176-F179 PolarHBondContact O-N 3.09Å; V177-F179 VanDerWaalsContact C-N 3.32Å; V177-F179 PolarHBondContact O-N 3.41Å; F179-S181 VanDerWaalsContact C-N 3.26Å; F179-S181 PolarHBondContact O-N 2.9Å; F179-K182 PolarHBondContact O-N 2.79Å; F179-Q183 PolarHBondContact O-N 3.24Å; F179-S300 WeakPolarHBondContact CZ-OG 3.35Å; F179-F301 HydrophobicContact CB-CD2 3.49Å; F179-F301 VanDerWaalsContact CB-CD2 3.49Å; F179-F301 HydrophobicContact CB-CE2 3.75Å; F179-F301 HydrophobicContact CD1-CB 3.95Å; F179-F301 AromaticContact CD1-CD2 3.86Å; F179-F301 HydrophobicContact CD1-CD2 3.86Å; F179-F301 HydrophobicContact CD1-CG 4.17Å; F179-F301 HydrophobicContact CD2-CB 4.23Å; F179-F301 AromaticContact CD2-CD2 3.72Å; F179-F301 HydrophobicContact CD2-CD2 3.72Å; F179-F301 HydrophobicContact CD2-CG 4.46Å; F179-F301 HydrophobicContact CE1-CB 3.87Å; F179-F301 HydrophobicContact CE2-CB 4.13Å; F179-F301 HydrophobicContact CE2-CD2 4.44Å; F179-F301 HydrophobicContact CG-CB 4.15Å; F179-F301 AromaticContact CG-CD2 3.39Å; F179-F301 HydrophobicContact CG-CD2 3.39Å; F179-F301 HydrophobicContact CG-CE2 4.18Å; F179-F301 HydrophobicContact CG-CG 4.13Å; F179-F301 HydrophobicContact CZ-CB 3.96Å |
| 180 | R | 90.6 | Very high | 91.1 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 2% | 0.019 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -34.8 | -179.5 | 69.3 | 174.3 | 174.2 | 74.3 | -3.8 | 112.2 | N169 D172 R176 V177 Q183 N184 Q264 | N169-R180 PolarHBondContact O-NH2 2.72Å; D172-R180 IonicContact OD2-NE 3.26Å; D172-R180 PolarHBondContact OD2-NE 2.86Å; D172-R180 VanDerWaalsContact OD2-NE 3.09Å; R176-R180 WeakPolarHBondContact O-CG 3.43Å; R176-R180 PolarHBondContact O-N 2.9Å; V177-R180 WeakPolarHBondContact O-CG 3.37Å; R180-Q183 PolarHBondContact O-N 3.47Å; R180-N184 PolarHBondContact O-N 3.25Å; R180-N184 VanDerWaalsContact O-N 3.13Å; R180-N184 PolarHBondContact O-ND2 2.75Å; R180-Q264 PolarHBondContact NH1-O 3.37Å; R180-Q264 VanDerWaalsContact NH1-O 3.08Å |
| 181 | S | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.4 | -39.4 | -179.7 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | V177 F179 Q183 N184 V185 Y263 | V177-S181 VanDerWaalsContact O-CB 3.23Å; V177-S181 WeakPolarHBondContact O-CB 3.33Å; V177-S181 PolarHBondContact O-N 2.84Å; V177-S181 PolarHBondContact O-OG 2.85Å; F179-S181 VanDerWaalsContact C-N 3.26Å; F179-S181 PolarHBondContact O-N 2.9Å; S181-Q183 VanDerWaalsContact C-N 3.34Å; S181-N184 WeakPolarHBondContact O-CB 3.26Å; S181-N184 PolarHBondContact O-N 3.45Å; S181-V185 PolarHBondContact O-N 3.01Å; S181-Y263 VanDerWaalsContact CA-O 3.24Å; S181-Y263 WeakPolarHBondContact CA-O 3.44Å; S181-Y263 VanDerWaalsContact CB-O 3.27Å; S181-Y263 WeakPolarHBondContact CB-O 3.49Å; S181-Y263 PolarHBondContact OG-O 2.77Å |
| 182 | K | 96.9 | Very high | 93 | Very high | 32 Ų | 32 | 24.4 Ų | 24.4 | 14% | 0.139 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.6 | -43.6 | 171 | -174.2 | -171.7 | 173 | -56.9 | 0 | 111 | A123 F125 Y160 L163 S178 F179 N184 V185 D186 | A123-K182 WeakPolarHBondContact O-CE 3.38Å; A123-K182 PolarHBondContact O-NZ 2.98Å; F125-K182 HydrophobicContact CE2-CD 4.46Å; Y160-K182 HydrophobicContact CD1-CG 4.45Å; Y160-K182 HydrophobicContact CE1-CG 4.2Å; L163-K182 HydrophobicContact CD1-CB 4.08Å; L163-K182 HydrophobicContact CD1-CD 4.11Å; L163-K182 HydrophobicContact CD1-CG 3.82Å; L163-K182 HydrophobicContact CD2-CB 3.97Å; L163-K182 HydrophobicContact CD2-CG 4.38Å; S178-K182 VanDerWaalsContact O-CB 3.29Å; S178-K182 WeakPolarHBondContact O-CB 3.35Å; S178-K182 PolarHBondContact O-N 3.28Å; F179-K182 PolarHBondContact O-N 2.79Å; K182-N184 VanDerWaalsContact C-N 3.3Å; K182-N184 PolarHBondContact O-N 3.3Å; K182-V185 CarbonylContact O-C 3.58Å; K182-V185 WeakPolarHBondContact O-CA 3.37Å; K182-V185 WeakPolarHBondContact O-CB 3.22Å; K182-V185 PolarHBondContact O-N 3.01Å; K182-D186 IonicContact NZ-OD1 3.74Å; K182-D186 PolarHBondContact NZ-OD1 2.95Å; K182-D186 IonicContact NZ-OD2 2.75Å; K182-D186 PolarHBondContact NZ-OD2 2.99Å; K182-D186 VanDerWaalsContact O-CG 3.22Å; K182-D186 PolarHBondContact O-N 3.28Å |
| 183 | Q | 95.8 | Very high | 93.9 | Very high | 24 Ų | 24 | 22.6 Ų | 22.6 | 11% | 0.112 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.6 | -38.8 | 179 | -169.7 | -178.2 | 38 | 0 | 0 | 112.6 | F179 R180 S181 V185 D186 Y187 Y242 | F179-Q183 PolarHBondContact O-N 3.24Å; R180-Q183 PolarHBondContact O-N 3.47Å; S181-Q183 VanDerWaalsContact C-N 3.34Å; Q183-V185 VanDerWaalsContact C-N 3.31Å; Q183-V185 PolarHBondContact O-N 3.38Å; Q183-D186 PolarHBondContact O-N 2.64Å; Q183-Y187 HydrophobicContact CG-CD2 4.16Å; Q183-Y187 HydrophobicContact CG-CE2 3.84Å; Q183-Y187 PolarHBondContact O-N 2.93Å; Q183-Y242 PolarHBondContact NE2-OH 3.03Å |
| 184 | N | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.8 | -45 | 171.3 | -78.2 | -35.9 | 0 | 0 | 0 | 112.2 | R180 S181 K182 S188 Y263 M266 C268 | R180-N184 PolarHBondContact O-N 3.25Å; R180-N184 VanDerWaalsContact O-N 3.13Å; R180-N184 PolarHBondContact O-ND2 2.75Å; S181-N184 WeakPolarHBondContact O-CB 3.26Å; S181-N184 PolarHBondContact O-N 3.45Å; K182-N184 VanDerWaalsContact C-N 3.3Å; K182-N184 PolarHBondContact O-N 3.3Å; N184-S188 VanDerWaalsContact O-CB 3.29Å; N184-S188 WeakPolarHBondContact O-CB 3.45Å; N184-S188 PolarHBondContact O-N 2.97Å; N184-Y263 PolarHBondContact ND2-O 3.24Å; N184-M266 PolarHBondContact ND2-O 3.27Å; N184-C268 WeakPolarHBondContact OD1-CA 3.48Å; N184-C268 WeakPolarHBondContact OD1-CB 3.5Å; N184-C268 PolarHBondContact OD1-N 3.1Å |
| 185 | V | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -68.3 | -41.4 | 178.7 | -178.5 | 0 | 0 | 0 | 0 | 111 | Y160 P161 S181 K182 Q183 Y187 S188 F189 F260 Y263 | Y160-V185 HydrophobicContact CD1-CB 3.98Å; Y160-V185 HydrophobicContact CD1-CG1 3.46Å; Y160-V185 VanDerWaalsContact CD1-CG1 3.46Å; Y160-V185 HydrophobicContact CE1-CB 4.04Å; Y160-V185 HydrophobicContact CE1-CG1 3.62Å; Y160-V185 HydrophobicContact CG-CG1 4.21Å; P161-V185 HydrophobicContact CG-CG2 3.77Å; S181-V185 PolarHBondContact O-N 3.01Å; K182-V185 CarbonylContact O-C 3.58Å; K182-V185 WeakPolarHBondContact O-CA 3.37Å; K182-V185 WeakPolarHBondContact O-CB 3.22Å; K182-V185 PolarHBondContact O-N 3.01Å; Q183-V185 VanDerWaalsContact C-N 3.31Å; Q183-V185 PolarHBondContact O-N 3.38Å; V185-Y187 PolarHBondContact O-N 3.31Å; V185-S188 WeakPolarHBondContact O-CB 3.45Å; V185-S188 PolarHBondContact O-N 3.48Å; V185-F189 HydrophobicContact CG1-CD2 3.79Å; V185-F189 HydrophobicContact CG1-CE1 4.28Å; V185-F189 HydrophobicContact CG1-CE2 3.31Å; V185-F189 HydrophobicContact CG1-CG 4.47Å; V185-F189 HydrophobicContact CG1-CZ 3.58Å; V185-F189 WeakPolarHBondContact O-CG 3.33Å; V185-F189 PolarHBondContact O-N 3Å; V185-F260 HydrophobicContact CG1-CD2 4.45Å; V185-F260 HydrophobicContact CG1-CE2 4.39Å; V185-Y263 HydrophobicContact CG2-CD2 3.66Å; V185-Y263 HydrophobicContact CG2-CE2 4.41Å; V185-Y263 HydrophobicContact CG2-CG 3.87Å |
| 186 | D | 98.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 13.8 Ų | 13.8 | 3% | 0.032 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -56 | -51.1 | 175.8 | -62.5 | -20.7 | 0 | 0 | 0 | 110.4 | L121 A123 Y160 K182 Q183 F189 L190 | L121-D186 HydrophobicContact CD2-CB 4.2Å; L121-D186 WeakPolarHBondContact CD2-O 3.41Å; A123-D186 HydrophobicContact CB-CB 4.16Å; Y160-D186 WeakPolarHBondContact CE1-OD1 3.49Å; Y160-D186 PolarHBondContact OH-OD1 3.38Å; K182-D186 IonicContact NZ-OD1 3.74Å; K182-D186 PolarHBondContact NZ-OD1 2.95Å; K182-D186 IonicContact NZ-OD2 2.75Å; K182-D186 PolarHBondContact NZ-OD2 2.99Å; K182-D186 VanDerWaalsContact O-CG 3.22Å; K182-D186 PolarHBondContact O-N 3.28Å; Q183-D186 PolarHBondContact O-N 2.64Å; D186-F189 PolarHBondContact O-N 3.48Å; D186-L190 WeakPolarHBondContact O-CB 3.24Å; D186-L190 PolarHBondContact O-N 2.82Å |
| 187 | Y | 98.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 9.6 Ų | 9.6 | 2% | 0.024 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -69.7 | -36 | 178.4 | -70.3 | -24.2 | 0 | 0 | 0 | 113.4 | Q183 V185 F189 L190 I191 Q203 Y242 C268 M272 | Q183-Y187 HydrophobicContact CG-CD2 4.16Å; Q183-Y187 HydrophobicContact CG-CE2 3.84Å; Q183-Y187 PolarHBondContact O-N 2.93Å; V185-Y187 PolarHBondContact O-N 3.31Å; Y187-F189 VanDerWaalsContact C-N 3.34Å; Y187-F189 PolarHBondContact O-N 3.12Å; Y187-L190 HydrophobicContact CD1-CD2 4.02Å; Y187-L190 HydrophobicContact CE1-CD2 4.47Å; Y187-L190 PolarHBondContact O-N 2.94Å; Y187-I191 WeakPolarHBondContact O-CB 3.29Å; Y187-I191 WeakPolarHBondContact O-CD1 3.4Å; Y187-I191 WeakPolarHBondContact O-CG1 3.4Å; Y187-I191 PolarHBondContact O-N 3Å; Y187-Q203 VanDerWaalsContact CE1-NE2 3.34Å; Y187-Y242 HydrophobicContact CE2-CD1 4.49Å; Y187-Y242 AromaticContact CE2-CD2 3.61Å; Y187-Y242 HydrophobicContact CE2-CD2 3.61Å; Y187-Y242 AromaticContact CE2-CE2 3.61Å; Y187-Y242 HydrophobicContact CE2-CE2 3.61Å; Y187-Y242 HydrophobicContact CE2-CG 4.1Å; Y187-Y242 AromaticContact CZ-CD2 3.93Å; Y187-Y242 AromaticContact CZ-CE2 3.75Å; Y187-Y242 WeakPolarHBondContact OH-CE2 3.47Å; Y187-C268 HydrophobicContact CD2-CB 4.04Å; Y187-M272 HydrophobicContact CD2-CE 4.31Å |
| 188 | S | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -53.9 | -52.4 | 170 | 162.3 | 0 | 0 | 0 | 0 | 111.1 | N184 V185 L190 I191 H192 A256 F260 | N184-S188 VanDerWaalsContact O-CB 3.29Å; N184-S188 WeakPolarHBondContact O-CB 3.45Å; N184-S188 PolarHBondContact O-N 2.97Å; V185-S188 WeakPolarHBondContact O-CB 3.45Å; V185-S188 PolarHBondContact O-N 3.48Å; S188-L190 PolarHBondContact O-N 3.19Å; S188-I191 PolarHBondContact O-N 3.06Å; S188-H192 WeakPolarHBondContact O-CB 3.48Å; S188-H192 PolarHBondContact O-N 3.38Å; S188-A256 WeakPolarHBondContact CB-O 3.27Å; S188-A256 WeakPolarHBondContact O-CB 3.47Å; S188-A256 PolarHBondContact OG-O 3.14Å; S188-A256 VanDerWaalsContact OG-O 3.04Å; S188-F260 WeakPolarHBondContact OG-CB 3.25Å |
| 189 | F | 98.5 | Very high | 96 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 0% | 0.004 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66.8 | -39.2 | -178.1 | -67.8 | -25.5 | 0 | 0 | 0 | 113.1 | L64 V66 Y68 V155 W159 Y160 V185 D186 Y187 Y193 F260 | L64-F189 HydrophobicContact CD1-CE1 4.39Å; V66-F189 HydrophobicContact CB-CD1 4.2Å; V66-F189 HydrophobicContact CB-CE1 4Å; V66-F189 HydrophobicContact CG1-CD1 4.07Å; V66-F189 HydrophobicContact CG1-CE1 4.26Å; V66-F189 HydrophobicContact CG2-CD1 4.04Å; V66-F189 HydrophobicContact CG2-CD2 4.46Å; V66-F189 HydrophobicContact CG2-CE1 4.04Å; V66-F189 HydrophobicContact CG2-CE2 4.44Å; V66-F189 HydrophobicContact CG2-CG 4.27Å; V66-F189 HydrophobicContact CG2-CZ 4.24Å; Y68-F189 HydrophobicContact CE1-CB 4.15Å; Y68-F189 VanDerWaalsContact CE1-O 3.29Å; Y68-F189 WeakPolarHBondContact CE1-O 3.49Å; Y68-F189 PolarHBondContact OH-O 2.98Å; V155-F189 HydrophobicContact CB-CD2 4.11Å; V155-F189 HydrophobicContact CG1-CD2 3.74Å; V155-F189 HydrophobicContact CG1-CE2 3.78Å; V155-F189 HydrophobicContact CG2-CB 4.2Å; V155-F189 HydrophobicContact CG2-CD2 4.15Å; V155-F189 HydrophobicContact CG2-CG 4.4Å; W159-F189 HydrophobicContact CB-CZ 4.46Å; W159-F189 WeakPolarHBondContact O-CZ 3.5Å; Y160-F189 HydrophobicContact CD1-CE2 4.36Å; Y160-F189 HydrophobicContact CD2-CE2 4.06Å; Y160-F189 HydrophobicContact CE1-CD2 4.43Å; Y160-F189 HydrophobicContact CE1-CE2 4.23Å; Y160-F189 HydrophobicContact CE2-CD2 4.23Å; Y160-F189 AromaticContact CE2-CE2 3.94Å; Y160-F189 HydrophobicContact CE2-CE2 3.94Å; Y160-F189 HydrophobicContact CG-CE2 4.27Å; V185-F189 HydrophobicContact CG1-CD2 3.79Å; V185-F189 HydrophobicContact CG1-CE1 4.28Å; V185-F189 HydrophobicContact CG1-CE2 3.31Å; V185-F189 HydrophobicContact CG1-CG 4.47Å; V185-F189 HydrophobicContact CG1-CZ 3.58Å; V185-F189 WeakPolarHBondContact O-CG 3.33Å; V185-F189 PolarHBondContact O-N 3Å; D186-F189 PolarHBondContact O-N 3.48Å; Y187-F189 VanDerWaalsContact C-N 3.34Å; Y187-F189 PolarHBondContact O-N 3.12Å; F189-Y193 PolarHBondContact O-N 2.9Å; F189-F260 HydrophobicContact CE1-CD2 4.14Å; F189-F260 AromaticContact CE1-CE2 3.98Å; F189-F260 HydrophobicContact CE1-CE2 3.98Å; F189-F260 HydrophobicContact CZ-CE2 4.04Å |
| 190 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.3 | -50 | 175.3 | 171.9 | 66.9 | 0 | 0 | 0 | 112.1 | M86 V119 L121 D186 Y187 S188 H192 Y193 S194 | M86-L190 VanDerWaalsContact C-CD2 3.47Å; V119-L190 HydrophobicContact CB-CD1 4.23Å; V119-L190 HydrophobicContact CG1-CD1 3.82Å; L121-L190 HydrophobicContact CB-CB 4.27Å; L121-L190 HydrophobicContact CB-CD1 4.06Å; L121-L190 HydrophobicContact CD2-CB 4.2Å; D186-L190 WeakPolarHBondContact O-CB 3.24Å; D186-L190 PolarHBondContact O-N 2.82Å; Y187-L190 HydrophobicContact CD1-CD2 4.02Å; Y187-L190 HydrophobicContact CE1-CD2 4.47Å; Y187-L190 PolarHBondContact O-N 2.94Å; S188-L190 PolarHBondContact O-N 3.19Å; L190-H192 VanDerWaalsContact C-N 3.32Å; L190-H192 PolarHBondContact O-N 2.9Å; L190-Y193 PolarHBondContact O-N 2.78Å; L190-S194 WeakPolarHBondContact O-CB 3.23Å; L190-S194 PolarHBondContact O-N 3.03Å; L190-S194 PolarHBondContact O-OG 2.87Å |
| 191 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 179.5 | -72 | 165.2 | 0 | 0 | 0 | 109.9 | Y187 S188 S194 A195 Y201 L252 L255 A256 L259 M272 | Y187-I191 WeakPolarHBondContact O-CB 3.29Å; Y187-I191 WeakPolarHBondContact O-CD1 3.4Å; Y187-I191 WeakPolarHBondContact O-CG1 3.4Å; Y187-I191 PolarHBondContact O-N 3Å; S188-I191 PolarHBondContact O-N 3.06Å; I191-S194 PolarHBondContact O-N 3.33Å; I191-A195 PolarHBondContact O-N 2.92Å; I191-Y201 HydrophobicContact CD1-CE1 4.33Å; I191-Y201 HydrophobicContact CG1-CE1 3.65Å; I191-Y201 WeakPolarHBondContact CG1-OH 3.34Å; I191-L252 HydrophobicContact CG2-CB 3.71Å; I191-L252 HydrophobicContact CG2-CD2 3.92Å; I191-L252 HydrophobicContact CG2-CG 4.23Å; I191-L255 HydrophobicContact CD1-CD2 3.98Å; I191-L255 HydrophobicContact CD1-CG 4.23Å; I191-L255 HydrophobicContact CG2-CB 4.48Å; I191-L255 HydrophobicContact CG2-CD2 4.29Å; I191-L255 HydrophobicContact CG2-CG 4.4Å; I191-A256 HydrophobicContact CB-CB 4.31Å; I191-A256 HydrophobicContact CG2-CB 4.03Å; I191-L259 HydrophobicContact CD1-CD1 3.62Å; I191-M272 HydrophobicContact CD1-CE 4.03Å |
| 192 | H | 97.2 | Very high | 96.9 | Very high | 13 Ų | 13 | 11 Ų | 11 | 6% | 0.06 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -59.2 | -51.5 | 176.7 | -178.3 | -125.4 | 0 | 0 | 0 | 111 | R48 L64 Y68 S188 L190 S194 A195 A256 | R48-H192 WeakPolarHBondContact CD-O 3.39Å; L64-H192 HydrophobicContact CD2-CB 4.06Å; L64-H192 PolarHBondContact O-CE1 3.41Å; Y68-H192 AromaticContact CE2-ND1 3.95Å; Y68-H192 AromaticContact CZ-ND1 3.84Å; Y68-H192 WeakPolarHBondContact OH-CB 3.16Å; Y68-H192 PolarHBondContact OH-ND1 3.43Å; S188-H192 WeakPolarHBondContact O-CB 3.48Å; S188-H192 PolarHBondContact O-N 3.38Å; L190-H192 VanDerWaalsContact C-N 3.32Å; L190-H192 PolarHBondContact O-N 2.9Å; H192-S194 PolarHBondContact O-N 2.86Å; H192-A195 WeakPolarHBondContact O-CB 3.46Å; H192-A195 PolarHBondContact O-N 2.93Å; H192-A256 HydrophobicContact CB-CB 3.73Å |
| 193 | Y | 96.9 | Very high | 97 | Very high | 4 Ų | 4 | 9.4 Ų | 9.4 | 2% | 0.016 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -58.2 | -37.3 | 177.1 | -177.4 | -94.6 | 0 | 0 | 0 | 112.7 | V46 R48 Y68 V119 L151 I153 F189 L190 A195 L197 | V46-Y193 HydrophobicContact CG1-CE2 4.16Å; R48-Y193 WeakPolarHBondContact CG-O 3.26Å; Y68-Y193 AromaticContact CD1-CD2 3.83Å; Y68-Y193 HydrophobicContact CD1-CD2 3.83Å; Y68-Y193 HydrophobicContact CD1-CG 4.25Å; Y68-Y193 AromaticContact CD2-CD2 3.75Å; Y68-Y193 HydrophobicContact CD2-CD2 3.75Å; Y68-Y193 HydrophobicContact CE1-CD2 4.23Å; Y68-Y193 HydrophobicContact CE1-CG 4.34Å; Y68-Y193 HydrophobicContact CE2-CD2 4.15Å; Y68-Y193 AromaticContact CG-CD2 3.56Å; Y68-Y193 HydrophobicContact CG-CD2 3.56Å; Y68-Y193 HydrophobicContact CG-CE2 4.23Å; Y68-Y193 HydrophobicContact CG-CG 4.41Å; Y68-Y193 PolarHBondContact OH-N 3.07Å; V119-Y193 HydrophobicContact CG1-CD1 3.83Å; V119-Y193 HydrophobicContact CG1-CE1 4.1Å; L151-Y193 HydrophobicContact CD1-CE1 4.35Å; I153-Y193 HydrophobicContact CD1-CD1 3.64Å; I153-Y193 HydrophobicContact CD1-CD2 4.25Å; I153-Y193 HydrophobicContact CD1-CE1 4.22Å; I153-Y193 HydrophobicContact CD1-CG 3.64Å; I153-Y193 HydrophobicContact CG2-CD1 4.32Å; I153-Y193 HydrophobicContact CG2-CE1 3.81Å; I153-Y193 HydrophobicContact CG2-CE2 4.24Å; F189-Y193 PolarHBondContact O-N 2.9Å; L190-Y193 PolarHBondContact O-N 2.78Å; Y193-A195 VanDerWaalsContact C-N 3.27Å; Y193-A195 PolarHBondContact O-N 2.88Å; Y193-L197 HydrophobicContact CD1-CD1 4.08Å; Y193-L197 HydrophobicContact CE1-CD1 3.86Å |
| 194 | S | 96.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -73.4 | -17.9 | -175.7 | -60 | 0 | 0 | 0 | 0 | 113.8 | L190 I191 H192 G196 L197 | L190-S194 WeakPolarHBondContact O-CB 3.23Å; L190-S194 PolarHBondContact O-N 3.03Å; L190-S194 PolarHBondContact O-OG 2.87Å; I191-S194 PolarHBondContact O-N 3.33Å; H192-S194 PolarHBondContact O-N 2.86Å; S194-G196 PolarHBondContact O-N 2.89Å; S194-L197 PolarHBondContact O-N 2.9Å; S194-L197 VanDerWaalsContact O-N 3.13Å |
| 195 | A | 93.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 123.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I191 H192 Y193 L252 P253 | I191-A195 PolarHBondContact O-N 2.92Å; H192-A195 WeakPolarHBondContact O-CB 3.46Å; H192-A195 PolarHBondContact O-N 2.93Å; Y193-A195 VanDerWaalsContact C-N 3.27Å; Y193-A195 PolarHBondContact O-N 2.88Å; A195-L252 HydrophobicContact CB-CB 3.98Å; A195-L252 HydrophobicContact CB-CD1 4.47Å; A195-P253 HydrophobicContact CB-CG 3.96Å |
| 196 | G | 89.7 | Confident | 96.7 | Very high | 9 Ų | 9 | 9.7 Ų | 9.7 | 9% | 0.093 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -13.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116 | S194 S249 | S194-G196 PolarHBondContact O-N 2.89Å; G196-S249 PolarHBondContact N-OG 2.88Å |
| 197 | L | 94.7 | Very high | 96.4 | Very high | 12 Ų | 12 | 9.5 Ų | 9.5 | 6% | 0.063 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -30.8 | 176.1 | -66.3 | -179.1 | 0 | 0 | 0 | 112.7 | L49 K80 T83 V117 V119 L151 Y193 S194 | L49-L197 HydrophobicContact CD1-CD2 3.88Å; L49-L197 HydrophobicContact CG-CD2 4.37Å; K80-L197 PolarHBondContact N-O 3.01Å; T83-L197 HydrophobicContact CG2-CB 4.38Å; T83-L197 HydrophobicContact CG2-CD1 4.49Å; T83-L197 WeakPolarHBondContact OG1-CB 3.38Å; V117-L197 HydrophobicContact CG1-CB 4.18Å; V119-L197 HydrophobicContact CG2-CD1 3.73Å; L151-L197 HydrophobicContact CD1-CD1 4.18Å; Y193-L197 HydrophobicContact CD1-CD1 4.08Å; Y193-L197 HydrophobicContact CE1-CD1 3.86Å; S194-L197 PolarHBondContact O-N 2.9Å; S194-L197 VanDerWaalsContact O-N 3.13Å |
| 198 | G | 95.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 166.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q79 K80 T83 S249 | Q79-G198 PolarHBondContact NE2-O 3.18Å; K80-G198 CarbonylContact O-C 3.59Å; K80-G198 WeakPolarHBondContact O-CA 3.48Å; T83-G198 WeakPolarHBondContact OG1-CA 3.42Å; T83-G198 PolarHBondContact OG1-N 3.22Å; G198-S249 WeakPolarHBondContact O-CB 3.33Å; G198-S249 PolarHBondContact O-OG 2.9Å |
| 199 | Q | 96.5 | Very high | 95.7 | Very high | 93 Ų | 93 | 11.5 Ų | 11.5 | 44% | 0.435 | 6% | 0.055 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | -35.8 | 168.3 | -63.1 | 175.8 | 24.8 | 0 | 0 | 111.2 | Q79 K80 F81 S249 | Q79-Q199 HydrophobicContact CG-CG 4.45Å; K80-Q199 PolarHBondContact O-N 2.81Å; F81-Q199 PolarHBondContact O-N 3.22Å; Q199-S249 WeakPolarHBondContact O-CB 3.26Å; Q199-S249 PolarHBondContact O-N 3.06Å |
| 200 | Y | 98.3 | Very high | 95.4 | Very high | 30 Ų | 30 | 11.5 Ų | 11.5 | 12% | 0.118 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 158.4 | 175.6 | -58.6 | -82.1 | 0 | 0 | 0 | 110.7 | F81 T83 I222 N226 W232 L246 Y247 K248 | F81-Y200 HydrophobicContact CD2-CD2 4.48Å; F81-Y200 HydrophobicContact CE1-CD2 4.15Å; F81-Y200 HydrophobicContact CE2-CD2 4.03Å; F81-Y200 AromaticContact CE2-CE2 3.82Å; F81-Y200 HydrophobicContact CE2-CE2 3.82Å; F81-Y200 AromaticContact CZ-CD2 3.85Å; F81-Y200 HydrophobicContact CZ-CD2 3.85Å; F81-Y200 AromaticContact CZ-CE2 3.87Å; F81-Y200 HydrophobicContact CZ-CE2 3.87Å; F81-Y200 PolarHBondContact O-N 3.26Å; T83-Y200 PolarHBondContact N-O 2.89Å; Y200-I222 HydrophobicContact CD1-CD1 4.12Å; Y200-I222 HydrophobicContact CD2-CD1 3.92Å; Y200-I222 HydrophobicContact CE1-CD1 4.27Å; Y200-I222 HydrophobicContact CE1-CG2 3.95Å; Y200-I222 HydrophobicContact CE2-CD1 4.1Å; Y200-I222 HydrophobicContact CE2-CG2 4.01Å; Y200-I222 HydrophobicContact CG-CD1 3.93Å; Y200-I222 VanDerWaalsContact OH-CG2 3.32Å; Y200-I222 WeakPolarHBondContact OH-CG2 3.31Å; Y200-N226 PolarHBondContact OH-ND2 3.05Å; Y200-W232 AromaticContact CD1-CH2 3.85Å; Y200-W232 HydrophobicContact CD1-CH2 3.85Å; Y200-W232 HydrophobicContact CD1-CZ2 4.43Å; Y200-W232 AromaticContact CE1-CH2 3.68Å; Y200-W232 HydrophobicContact CE1-CH2 3.68Å; Y200-W232 AromaticContact CE1-CZ2 3.81Å; Y200-W232 HydrophobicContact CE1-CZ2 3.81Å; Y200-L246 HydrophobicContact CD1-CD2 4.46Å; Y200-Y247 CarbonylContact C-O 3.46Å; Y200-Y247 WeakPolarHBondContact CA-O 3.14Å; Y200-K248 HydrophobicContact CD1-CG 4.2Å; Y200-K248 HydrophobicContact CE1-CG 3.97Å |
| 201 | Y | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.6 | 175.3 | 170.6 | -91.4 | 0 | 0 | 0 | 111 | T83 I191 Q203 L246 Y247 L252 | T83-Y201 HydrophobicContact CG2-CD2 4.02Å; T83-Y201 HydrophobicContact CG2-CE2 4.47Å; T83-Y201 CarbonylContact O-C 3.57Å; T83-Y201 VanDerWaalsContact O-CA 3.25Å; T83-Y201 WeakPolarHBondContact O-CA 3.32Å; I191-Y201 HydrophobicContact CD1-CE1 4.33Å; I191-Y201 HydrophobicContact CG1-CE1 3.65Å; I191-Y201 WeakPolarHBondContact CG1-OH 3.34Å; Y201-Q203 HydrophobicContact CE1-CB 3.92Å; Y201-Q203 PolarHBondContact OH-OE1 2.92Å; Y201-L246 CarbonylContact O-C 3.51Å; Y201-L246 VanDerWaalsContact O-CA 3.24Å; Y201-L246 WeakPolarHBondContact O-CA 3.42Å; Y201-Y247 HydrophobicContact CD1-CD2 4.14Å; Y201-Y247 PolarHBondContact N-O 3.13Å; Y201-Y247 PolarHBondContact O-N 2.66Å; Y201-L252 HydrophobicContact CD1-CD1 4.37Å; Y201-L252 HydrophobicContact CD1-CD2 3.81Å; Y201-L252 HydrophobicContact CD2-CD1 4.04Å; Y201-L252 HydrophobicContact CG-CD1 3.69Å; Y201-L252 HydrophobicContact CG-CD2 3.94Å; Y201-L252 HydrophobicContact CG-CG 4.47Å |
| 202 | L | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.4 | 176.1 | -175.4 | 74 | 0 | 0 | 0 | 109.8 | L82 T83 I84 G85 L204 I218 F237 K245 L246 F292 | L82-L202 HydrophobicContact CD1-CB 4.07Å; L82-L202 HydrophobicContact CD2-CB 4.26Å; L82-L202 HydrophobicContact CD2-CD2 4.37Å; L82-L202 HydrophobicContact CG-CB 4.44Å; T83-L202 PolarHBondContact O-N 3.06Å; I84-L202 WeakPolarHBondContact CA-O 3.43Å; I84-L202 HydrophobicContact CG1-CB 4.4Å; I84-L202 HydrophobicContact CG1-CD2 4.36Å; G85-L202 PolarHBondContact N-O 2.96Å; L202-L204 HydrophobicContact CD2-CD1 4.3Å; L202-L204 HydrophobicContact CD2-CD2 4.14Å; L202-L204 HydrophobicContact CD2-CG 4.15Å; L202-L204 HydrophobicContact CG-CD2 4.31Å; L202-L204 HydrophobicContact CG-CG 4.32Å; L202-I218 HydrophobicContact CD1-CD1 4.42Å; L202-I218 HydrophobicContact CD2-CD1 3.99Å; L202-F237 HydrophobicContact CD1-CD2 4.3Å; L202-K245 WeakPolarHBondContact CA-O 3.36Å; L202-L246 HydrophobicContact CB-CD1 4.12Å; L202-L246 HydrophobicContact CD1-CB 4.06Å; L202-L246 HydrophobicContact CD1-CD1 4.09Å; L202-F292 HydrophobicContact CD1-CE2 4.32Å; L202-F292 HydrophobicContact CD2-CE1 4.27Å; L202-F292 HydrophobicContact CD2-CE2 3.66Å; L202-F292 HydrophobicContact CD2-CZ 3.4Å; L202-F292 VanDerWaalsContact CD2-CZ 3.4Å |
| 203 | Q | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 127 | 171.8 | -176.5 | 62.5 | 56 | 0 | 0 | 110.5 | G85 Y187 Y201 Y242 G244 K245 M272 | G85-Q203 PolarHBondContact O-NE2 3.09Å; Y187-Q203 VanDerWaalsContact CE1-NE2 3.34Å; Y201-Q203 HydrophobicContact CE1-CB 3.92Å; Y201-Q203 PolarHBondContact OH-OE1 2.92Å; Q203-Y242 WeakPolarHBondContact CG-O 3.45Å; Q203-G244 PolarHBondContact O-N 3.02Å; Q203-K245 HydrophobicContact CB-CB 4.34Å; Q203-K245 PolarHBondContact N-O 2.92Å; Q203-K245 PolarHBondContact O-N 3.15Å; Q203-M272 HydrophobicContact CG-CE 4.16Å |
| 204 | L | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -128.4 | 169.5 | 170.8 | -65.1 | -176 | 0 | 0 | 0 | 112 | I84 G85 L104 L202 I243 F292 | I84-L204 HydrophobicContact CG2-CB 4.47Å; I84-L204 HydrophobicContact CG2-CD1 3.47Å; I84-L204 VanDerWaalsContact CG2-CD1 3.47Å; I84-L204 HydrophobicContact CG2-CG 3.92Å; G85-L204 PolarHBondContact O-N 3.3Å; L104-L204 HydrophobicContact CD1-CD1 4.13Å; L104-L204 HydrophobicContact CD2-CD1 3.84Å; L202-L204 HydrophobicContact CD2-CD1 4.3Å; L202-L204 HydrophobicContact CD2-CD2 4.14Å; L202-L204 HydrophobicContact CD2-CG 4.15Å; L202-L204 HydrophobicContact CG-CD2 4.31Å; L202-L204 HydrophobicContact CG-CG 4.32Å; L204-I243 HydrophobicContact CD2-CG2 4.1Å; L204-F292 HydrophobicContact CD1-CD1 4.18Å; L204-F292 HydrophobicContact CD1-CE1 3.95Å; L204-F292 HydrophobicContact CD2-CB 4.4Å; L204-F292 HydrophobicContact CD2-CD1 3.75Å; L204-F292 HydrophobicContact CD2-CD2 4Å; L204-F292 HydrophobicContact CD2-CE1 4.01Å; L204-F292 HydrophobicContact CD2-CE2 4.24Å; L204-F292 HydrophobicContact CD2-CG 3.75Å; L204-F292 HydrophobicContact CD2-CZ 4.26Å | ||
| 205 | E | 94.5 | Very high | 93.9 | Very high | 21 Ų | 21 | 17.3 Ų | 17.3 | 10% | 0.098 | 9% | 0.086 | C | C | . | . | trans | -97.9 | 164.4 | 165.1 | -66.7 | -166.8 | -126.6 | 0 | 0 | 110.8 | D207 V208 Y242 I243 | E205-D207 VanDerWaalsContact CB-OD1 3.27Å; E205-D207 WeakPolarHBondContact CB-OD1 3.18Å; E205-D207 PolarHBondContact O-N 3.37Å; E205-V208 HydrophobicContact CB-CG2 3.89Å; E205-Y242 HydrophobicContact CG-CD2 3.83Å; E205-Y242 HydrophobicContact CG-CE2 3.28Å; E205-Y242 WeakPolarHBondContact OE1-CE2 3.38Å; E205-Y242 VanDerWaalsContact OE1-CZ 3.31Å; E205-Y242 PolarHBondContact OE1-OH 2.95Å; E205-Y242 PolarHBondContact OE2-OH 3.33Å; E205-I243 HydrophobicContact CB-CG1 4.3Å; E205-I243 HydrophobicContact CG-CD1 4.36Å; E205-I243 HydrophobicContact CG-CG1 3.81Å; E205-I243 WeakPolarHBondContact OE1-CG1 3.3Å | ||
| 206 | D | 94.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 20.6 Ų | 20.6 | 4% | 0.043 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -84.5 | 11.2 | 176.8 | 72.5 | -31.4 | 0 | 0 | 0 | 113.1 | S88 R91 Y96 L97 T100 | S88-D206 VanDerWaalsContact CB-OD2 3.28Å; S88-D206 WeakPolarHBondContact CB-OD2 3.35Å; S88-D206 PolarHBondContact OG-OD2 3.35Å; R91-D206 IonicContact CZ-OD1 3.09Å; R91-D206 IonicContact CZ-OD2 2.86Å; R91-D206 VanDerWaalsContact NH1-CG 3.28Å; R91-D206 IonicContact NH1-OD1 2.8Å; R91-D206 PolarHBondContact NH1-OD1 3.09Å; R91-D206 IonicContact NH1-OD2 3.26Å; R91-D206 PolarHBondContact NH1-OD2 3.38Å; R91-D206 IonicContact NH2-OD1 2.8Å; R91-D206 PolarHBondContact NH2-OD1 3.22Å; R91-D206 IonicContact NH2-OD2 2.69Å; Y96-D206 CarbonylContact C-O 3.5Å; Y96-D206 VanDerWaalsContact CB-O 3.31Å; Y96-D206 WeakPolarHBondContact CB-O 3.46Å; Y96-D206 VanDerWaalsContact O-O 3.08Å; L97-D206 WeakPolarHBondContact CA-O 3.33Å; L97-D206 HydrophobicContact CB-CB 4.28Å; L97-D206 HydrophobicContact CD1-CB 3.88Å; L97-D206 PolarHBondContact N-O 2.86Å; T100-D206 PolarHBondContact OG1-O 3.28Å |
| 207 | D | 92.2 | Very high | 94 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.011 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -131.6 | 48.1 | 177.2 | 55.2 | 10.3 | 0 | 0 | 0 | 113.1 | R91 Y96 T100 E205 H294 M295 G296 | R91-D207 IonicContact CZ-OD2 3.86Å; R91-D207 VanDerWaalsContact NH2-CG 3.26Å; R91-D207 IonicContact NH2-OD2 3.99Å; R91-D207 PolarHBondContact NH2-OD2 2.8Å; Y96-D207 HydrophobicContact CD2-CB 3.7Å; Y96-D207 HydrophobicContact CG-CB 3.76Å; T100-D207 WeakPolarHBondContact OG1-CA 3.14Å; T100-D207 PolarHBondContact OG1-N 2.99Å; E205-D207 VanDerWaalsContact CB-OD1 3.27Å; E205-D207 WeakPolarHBondContact CB-OD1 3.18Å; E205-D207 PolarHBondContact O-N 3.37Å; D207-H294 IonicContact OD1-CD2 3.89Å; D207-H294 PolarHBondContact OD1-CD2 2.87Å; D207-H294 VanDerWaalsContact OD1-CD2 3.3Å; D207-H294 IonicContact OD1-NE2 3.02Å; D207-H294 IonicContact OD2-CD2 3.26Å; D207-H294 IonicContact OD2-NE2 3.62Å; D207-H294 PolarHBondContact OD2-NE2 2.82Å; D207-M295 VanDerWaalsContact O-CG 3.32Å; D207-M295 WeakPolarHBondContact O-CG 3.34Å; D207-M295 PolarHBondContact O-N 3.19Å; D207-G296 PolarHBondContact O-N 3.16Å |
| 208 | V | 92 | Very high | 94.2 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 140.8 | -175.5 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | T100 E205 I243 F292 Q293 | T100-V208 WeakPolarHBondContact CA-O 3.47Å; T100-V208 HydrophobicContact CG2-CB 4.35Å; T100-V208 WeakPolarHBondContact CG2-O 3.35Å; T100-V208 PolarHBondContact OG1-N 3.42Å; T100-V208 PolarHBondContact OG1-O 3.19Å; E205-V208 HydrophobicContact CB-CG2 3.89Å; V208-I243 HydrophobicContact CG1-CG2 4.34Å; V208-I243 HydrophobicContact CG2-CD1 3.94Å; V208-I243 HydrophobicContact CG2-CG1 4.13Å; V208-I243 HydrophobicContact CG2-CG2 3.98Å; V208-F292 HydrophobicContact CG1-CB 3.68Å; V208-F292 HydrophobicContact CG1-CD1 3.9Å; V208-F292 HydrophobicContact CG1-CG 4.21Å; V208-Q293 CarbonylContact C-O 3.55Å; V208-Q293 WeakPolarHBondContact CA-O 3.37Å |
| 209 | F | 89.7 | Confident | 94.3 | Very high | 48 Ų | 48 | 25.5 Ų | 25.5 | 21% | 0.211 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138.7 | 164 | -173.3 | -95.2 | 0 | 0 | 0 | 109.9 | S103 F292 Q293 M295 F313 E315 | S103-F209 WeakPolarHBondContact OG-CD2 3.48Å; S103-F209 WeakPolarHBondContact OG-CE2 3.38Å; F209-F292 WeakPolarHBondContact O-CA 3.15Å; F209-Q293 PolarHBondContact N-O 3.4Å; F209-Q293 PolarHBondContact O-N 2.97Å; F209-M295 HydrophobicContact CB-SD 4.26Å; F209-F313 HydrophobicContact CD1-CE1 4.08Å; F209-F313 AromaticContact CD1-CZ 3.63Å; F209-F313 HydrophobicContact CD1-CZ 3.63Å; F209-F313 HydrophobicContact CE1-CZ 4.16Å; F209-E315 HydrophobicContact CE1-CG 4.16Å |
| 210 | S | 91.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 147.4 | -178.8 | 63.8 | 0 | 0 | 0 | 0 | 112.5 | S103 L104 Q107 L291 | S103-S210 PolarHBondContact O-OG 3.48Å; S103-S210 PolarHBondContact OG-N 3.06Å; S103-S210 PolarHBondContact OG-OG 3.35Å; L104-S210 WeakPolarHBondContact CA-OG 3.48Å; Q107-S210 WeakPolarHBondContact CG-O 3.44Å; S210-L291 CarbonylContact C-O 3.47Å; S210-L291 WeakPolarHBondContact CA-O 3.46Å |
| 211 | A | 88.1 | Confident | 94.1 | Very high | 10 Ų | 10 | 26.8 Ų | 26.8 | 8% | 0.083 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 152.9 | 169 | 0 | 0 | 0 | 0 | 0 | 110.8 | F214 L291 F313 | A211-F214 WeakPolarHBondContact O-CB 3.41Å; A211-F214 PolarHBondContact O-N 3.32Å; A211-L291 HydrophobicContact CB-CB 4.35Å; A211-L291 HydrophobicContact CB-CD2 4.09Å; A211-L291 WeakPolarHBondContact CB-O 3.44Å; A211-L291 PolarHBondContact N-O 3.16Å; A211-F313 HydrophobicContact CB-CE2 4.27Å |
| 212 | Q | 86.3 | Confident | 94 | Very high | 80 Ų | 80 | 26.9 Ų | 26.9 | 37% | 0.374 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 136.9 | 176.5 | -170.1 | 175.9 | 20.2 | 0 | 0 | 111.3 | F214 L317 | Q212-F214 PolarHBondContact O-N 2.87Å; Q212-L317 HydrophobicContact CB-CD1 4.22Å; Q212-L317 HydrophobicContact CB-CG 4.14Å; Q212-L317 HydrophobicContact CG-CD1 4.11Å |
| 213 | N | 88.4 | Confident | 93.9 | Very high | 50 Ų | 50 | 32.5 Ų | 32.5 | 27% | 0.267 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 38.8 | -178.5 | -54.2 | -33.4 | 0 | 0 | 0 | 113.5 | Q107 E112 L215 T216 T217 | Q107-N213 PolarHBondContact O-N 2.86Å; E112-N213 VanDerWaalsContact OE1-CA 3.26Å; E112-N213 WeakPolarHBondContact OE1-CA 3.48Å; E112-N213 WeakPolarHBondContact OE2-CA 3.31Å; N213-L215 PolarHBondContact O-N 3.3Å; N213-T216 PolarHBondContact O-N 3.32Å; N213-T217 PolarHBondContact O-N 3.2Å; N213-T217 PolarHBondContact O-OG1 2.84Å |
| 214 | F | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.5 | -35.6 | -176 | 68.3 | -94 | 0 | 0 | 0 | 111.9 | L82 I84 L104 S108 M116 A211 Q212 T216 T217 I218 L291 F292 | L82-F214 HydrophobicContact CD2-CE2 4.44Å; I84-F214 HydrophobicContact CD1-CE2 3.63Å; I84-F214 HydrophobicContact CD1-CZ 3.59Å; L104-F214 HydrophobicContact CD2-CE1 3.83Å; L104-F214 HydrophobicContact CD2-CZ 3.84Å; S108-F214 VanDerWaalsContact OG-CE1 3.3Å; S108-F214 WeakPolarHBondContact OG-CE1 3.41Å; M116-F214 HydrophobicContact CE-CZ 4.32Å; M116-F214 HydrophobicContact SD-CE2 4.46Å; M116-F214 HydrophobicContact SD-CZ 3.88Å; A211-F214 WeakPolarHBondContact O-CB 3.41Å; A211-F214 PolarHBondContact O-N 3.32Å; Q212-F214 PolarHBondContact O-N 2.87Å; F214-T216 PolarHBondContact O-N 2.71Å; F214-T217 PolarHBondContact O-N 3.27Å; F214-I218 HydrophobicContact CD2-CD1 3.87Å; F214-I218 HydrophobicContact CE2-CD1 4.49Å; F214-I218 VanDerWaalsContact O-CG1 3.3Å; F214-I218 WeakPolarHBondContact O-CG1 3.35Å; F214-I218 PolarHBondContact O-N 2.81Å; F214-L291 HydrophobicContact CB-CB 4.22Å; F214-L291 HydrophobicContact CB-CD1 4.17Å; F214-F292 HydrophobicContact CB-CZ 4.28Å; F214-F292 HydrophobicContact CD2-CE1 4.1Å; F214-F292 AromaticContact CD2-CZ 3.62Å; F214-F292 HydrophobicContact CD2-CZ 3.62Å; F214-F292 HydrophobicContact CE2-CE1 4.48Å; F214-F292 HydrophobicContact CE2-CZ 4.17Å; F214-F292 HydrophobicContact CG-CE1 4.17Å; F214-F292 HydrophobicContact CG-CZ 4.01Å |
| 215 | L | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.5 | -37.6 | -176.4 | 171.5 | 60.1 | 0 | 0 | 0 | 111.7 | F81 L82 E112 M116 N213 T217 I218 R219 | F81-L215 HydrophobicContact CD1-CD1 3.81Å; F81-L215 HydrophobicContact CE1-CD1 4.02Å; L82-L215 HydrophobicContact CB-CD1 3.69Å; L82-L215 HydrophobicContact CD2-CD1 3.58Å; L82-L215 HydrophobicContact CG-CD1 4.22Å; E112-L215 HydrophobicContact CB-CB 4.2Å; E112-L215 HydrophobicContact CB-CD2 3.86Å; E112-L215 HydrophobicContact CB-CG 4.46Å; E112-L215 HydrophobicContact CG-CB 3.92Å; E112-L215 HydrophobicContact CG-CD2 4.14Å; E112-L215 HydrophobicContact CG-CG 4.25Å; E112-L215 WeakPolarHBondContact O-CD2 3.09Å; E112-L215 WeakPolarHBondContact OE1-CB 3.03Å; E112-L215 PolarHBondContact OE1-N 3.49Å; M116-L215 HydrophobicContact CB-CD2 3.98Å; M116-L215 HydrophobicContact CG-CD2 4.36Å; M116-L215 HydrophobicContact SD-CD2 4.25Å; N213-L215 PolarHBondContact O-N 3.3Å; L215-T217 VanDerWaalsContact C-N 3.3Å; L215-T217 PolarHBondContact O-N 2.82Å; L215-I218 PolarHBondContact O-N 2.92Å; L215-R219 WeakPolarHBondContact O-CB 3.06Å; L215-R219 PolarHBondContact O-N 3.01Å |
| 216 | T | 93.8 | Very high | 93.6 | Very high | 69 Ų | 69 | 40 Ų | 40 | 42% | 0.423 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 174.5 | -57.9 | 0 | 0 | 0 | 0 | 110.2 | E112 N213 F214 R219 K220 | E112-T216 WeakPolarHBondContact OE1-CB 3.33Å; E112-T216 PolarHBondContact OE1-N 3.24Å; E112-T216 PolarHBondContact OE1-OG1 3.48Å; N213-T216 PolarHBondContact O-N 3.32Å; F214-T216 PolarHBondContact O-N 2.71Å; T216-R219 PolarHBondContact O-N 2.9Å; T216-K220 PolarHBondContact O-N 2.96Å |
| 217 | T | 92.7 | Very high | 93.6 | Very high | 44 Ų | 44 | 43.8 Ų | 43.8 | 27% | 0.27 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 176.5 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | N213 F214 L215 R219 K220 H221 L291 | N213-T217 PolarHBondContact O-N 3.2Å; N213-T217 PolarHBondContact O-OG1 2.84Å; F214-T217 PolarHBondContact O-N 3.27Å; L215-T217 VanDerWaalsContact C-N 3.3Å; L215-T217 PolarHBondContact O-N 2.82Å; T217-R219 PolarHBondContact O-N 3.13Å; T217-K220 PolarHBondContact O-N 3.28Å; T217-H221 PolarHBondContact O-CD2 2.69Å; T217-H221 VanDerWaalsContact O-CD2 3.3Å; T217-H221 PolarHBondContact O-N 2.8Å; T217-H221 VanDerWaalsContact O-N 3.09Å; T217-L291 HydrophobicContact CG2-CD1 4.06Å; T217-L291 HydrophobicContact CG2-CD2 3.96Å |
| 218 | I | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.9 | -48 | 173.6 | -71.6 | 172.9 | 0 | 0 | 0 | 110.7 | L82 L202 F214 L215 K220 H221 I222 F237 L246 L291 F292 | L82-I218 HydrophobicContact CD2-CD1 4.23Å; L202-I218 HydrophobicContact CD1-CD1 4.42Å; L202-I218 HydrophobicContact CD2-CD1 3.99Å; F214-I218 HydrophobicContact CD2-CD1 3.87Å; F214-I218 HydrophobicContact CE2-CD1 4.49Å; F214-I218 VanDerWaalsContact O-CG1 3.3Å; F214-I218 WeakPolarHBondContact O-CG1 3.35Å; F214-I218 PolarHBondContact O-N 2.81Å; L215-I218 PolarHBondContact O-N 2.92Å; I218-K220 PolarHBondContact O-N 2.69Å; I218-H221 PolarHBondContact O-N 3.37Å; I218-I222 HydrophobicContact CG2-CD1 3.58Å; I218-I222 HydrophobicContact CG2-CG1 4.26Å; I218-I222 VanDerWaalsContact O-CG1 3.29Å; I218-I222 WeakPolarHBondContact O-CG1 3.45Å; I218-I222 PolarHBondContact O-N 3.25Å; I218-F237 HydrophobicContact CB-CE1 4.38Å; I218-F237 HydrophobicContact CB-CE2 4.46Å; I218-F237 HydrophobicContact CB-CZ 4.07Å; I218-F237 HydrophobicContact CD1-CD2 4.43Å; I218-F237 HydrophobicContact CG1-CD1 4.02Å; I218-F237 HydrophobicContact CG1-CD2 4.1Å; I218-F237 HydrophobicContact CG1-CE1 3.8Å; I218-F237 HydrophobicContact CG1-CE2 3.89Å; I218-F237 HydrophobicContact CG1-CG 4.16Å; I218-F237 HydrophobicContact CG1-CZ 3.73Å; I218-F237 HydrophobicContact CG2-CE2 4.16Å; I218-F237 HydrophobicContact CG2-CZ 4.04Å; I218-L246 HydrophobicContact CG2-CD1 4.04Å; I218-L246 HydrophobicContact CG2-CD2 4.31Å; I218-L291 HydrophobicContact CD1-CD1 4.35Å; I218-L291 HydrophobicContact CG1-CD1 3.68Å; I218-F292 HydrophobicContact CD1-CE2 4.36Å; I218-F292 HydrophobicContact CD1-CZ 4.32Å |
| 219 | R | 97.7 | Very high | 93.1 | Very high | 79 Ų | 79 | 59.9 Ų | 59.9 | 30% | 0.298 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.3 | -48.6 | -179.4 | -176.5 | -178.8 | -61.4 | 149.3 | 2.1 | 111.4 | F81 S115 L215 T216 T217 H221 I222 E223 | F81-R219 HydrophobicContact CE1-CB 4.04Å; F81-R219 HydrophobicContact CE1-CG 4.24Å; F81-R219 HydrophobicContact CE2-CG 4.17Å; F81-R219 HydrophobicContact CZ-CB 3.94Å; F81-R219 HydrophobicContact CZ-CG 3.7Å; S115-R219 PolarHBondContact OG-NH2 2.87Å; L215-R219 WeakPolarHBondContact O-CB 3.06Å; L215-R219 PolarHBondContact O-N 3.01Å; T216-R219 PolarHBondContact O-N 2.9Å; T217-R219 PolarHBondContact O-N 3.13Å; R219-H221 VanDerWaalsContact C-N 3.34Å; R219-H221 PolarHBondContact O-N 3.33Å; R219-I222 PolarHBondContact O-N 3.44Å; R219-E223 WeakPolarHBondContact CG-OE1 3.43Å; R219-E223 WeakPolarHBondContact O-CG 3.49Å; R219-E223 PolarHBondContact O-N 3.37Å |
| 220 | K | 95.5 | Very high | 92.7 | Very high | 119 Ų | 119 | 60.5 Ų | 60.5 | 52% | 0.517 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.7 | -48.5 | 176.4 | -178.8 | -175.3 | 174 | -171.7 | 0 | 111.6 | T216 T217 I218 I222 E223 E224 | T216-K220 PolarHBondContact O-N 2.96Å; T217-K220 PolarHBondContact O-N 3.28Å; I218-K220 PolarHBondContact O-N 2.69Å; K220-I222 PolarHBondContact O-N 3.11Å; K220-E223 WeakPolarHBondContact O-CB 3.37Å; K220-E223 PolarHBondContact O-N 3.12Å; K220-E224 WeakPolarHBondContact CE-OE1 3.36Å; K220-E224 WeakPolarHBondContact O-CG 3.47Å; K220-E224 PolarHBondContact O-N 3.43Å |
| 221 | H | 95.6 | Very high | 92.6 | Very high | 31 Ų | 31 | 71.9 Ų | 71.9 | 14% | 0.144 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.1 | -34.4 | -179.3 | -77.3 | -45.3 | 0 | 0 | 0 | 113.4 | T217 I218 R219 E224 Q225 F237 F287 | T217-H221 PolarHBondContact O-CD2 2.69Å; T217-H221 VanDerWaalsContact O-CD2 3.3Å; T217-H221 PolarHBondContact O-N 2.8Å; T217-H221 VanDerWaalsContact O-N 3.09Å; I218-H221 PolarHBondContact O-N 3.37Å; R219-H221 VanDerWaalsContact C-N 3.34Å; R219-H221 PolarHBondContact O-N 3.33Å; H221-E224 IonicContact CE1-OE2 3.82Å; H221-E224 IonicContact CG-OE2 3.16Å; H221-E224 IonicContact ND1-OE2 3.93Å; H221-E224 PolarHBondContact ND1-OE2 3.01Å; H221-E224 PolarHBondContact O-N 3.13Å; H221-Q225 VanDerWaalsContact O-CG 3.25Å; H221-Q225 WeakPolarHBondContact O-CG 3.35Å; H221-Q225 PolarHBondContact O-N 3.46Å; H221-F237 HydrophobicContact CB-CE1 4.14Å; H221-F237 HydrophobicContact CB-CZ 4.24Å; H221-F237 AromaticContact CD2-CE1 3.91Å; H221-F287 HydrophobicContact CB-CD1 4.04Å; H221-F287 HydrophobicContact CB-CD2 4.38Å; H221-F287 HydrophobicContact CB-CE1 3.67Å; H221-F287 HydrophobicContact CB-CE2 4.04Å; H221-F287 HydrophobicContact CB-CG 4.36Å; H221-F287 HydrophobicContact CB-CZ 3.66Å; H221-F287 AromaticContact CD2-CD1 3.79Å; H221-F287 AromaticContact CD2-CG 3.95Å; H221-F287 AromaticContact CE1-CD1 3.65Å; H221-F287 AromaticContact CG-CD1 3.49Å; H221-F287 VanDerWaalsContact CG-CD1 3.49Å; H221-F287 AromaticContact CG-CE1 3.53Å; H221-F287 AromaticContact CG-CG 3.97Å; H221-F287 AromaticContact ND1-CD1 3.43Å; H221-F287 WeakPolarHBondContact ND1-CD1 3.26Å; H221-F287 AromaticContact ND1-CE1 3.41Å; H221-F287 WeakPolarHBondContact ND1-CE1 3.25Å; H221-F287 AromaticContact NE2-CD1 3.88Å |
| 222 | I | 97.1 | Very high | 93 | Very high | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.015 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 171.5 | -71.8 | 166.4 | 0 | 0 | 0 | 110.3 | F81 Y200 I218 R219 K220 E224 Q225 N226 W232 L235 L246 | F81-I222 HydrophobicContact CE1-CD1 4.16Å; F81-I222 HydrophobicContact CZ-CD1 3.97Å; Y200-I222 HydrophobicContact CD1-CD1 4.12Å; Y200-I222 HydrophobicContact CD2-CD1 3.92Å; Y200-I222 HydrophobicContact CE1-CD1 4.27Å; Y200-I222 HydrophobicContact CE1-CG2 3.95Å; Y200-I222 HydrophobicContact CE2-CD1 4.1Å; Y200-I222 HydrophobicContact CE2-CG2 4.01Å; Y200-I222 HydrophobicContact CG-CD1 3.93Å; Y200-I222 VanDerWaalsContact OH-CG2 3.32Å; Y200-I222 WeakPolarHBondContact OH-CG2 3.31Å; I218-I222 HydrophobicContact CG2-CD1 3.58Å; I218-I222 HydrophobicContact CG2-CG1 4.26Å; I218-I222 VanDerWaalsContact O-CG1 3.29Å; I218-I222 WeakPolarHBondContact O-CG1 3.45Å; I218-I222 PolarHBondContact O-N 3.25Å; R219-I222 PolarHBondContact O-N 3.44Å; K220-I222 PolarHBondContact O-N 3.11Å; I222-E224 PolarHBondContact O-N 3.02Å; I222-Q225 PolarHBondContact O-N 2.95Å; I222-N226 WeakPolarHBondContact CG2-ND2 3.39Å; I222-N226 VanDerWaalsContact O-CB 3.32Å; I222-N226 WeakPolarHBondContact O-CB 3.28Å; I222-N226 PolarHBondContact O-N 2.9Å; I222-N226 PolarHBondContact O-ND2 3.17Å; I222-W232 HydrophobicContact CG2-CZ2 4.48Å; I222-L235 HydrophobicContact CG1-CD1 4.2Å; I222-L246 HydrophobicContact CD1-CD2 3.57Å; I222-L246 HydrophobicContact CG1-CD2 3.65Å |
| 223 | E | 95.9 | Very high | 93.5 | Very high | 118 Ų | 118 | 68.3 Ų | 68.3 | 55% | 0.551 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.3 | -46.8 | 178.4 | -71.1 | 168.6 | -174 | 0 | 0 | 111.2 | R219 K220 Q225 N226 A227 | R219-E223 WeakPolarHBondContact CG-OE1 3.43Å; R219-E223 WeakPolarHBondContact O-CG 3.49Å; R219-E223 PolarHBondContact O-N 3.37Å; K220-E223 WeakPolarHBondContact O-CB 3.37Å; K220-E223 PolarHBondContact O-N 3.12Å; E223-Q225 PolarHBondContact O-N 3.04Å; E223-N226 PolarHBondContact O-N 3.49Å; E223-A227 WeakPolarHBondContact O-CB 3.41Å; E223-A227 PolarHBondContact O-N 3.48Å |
| 224 | E | 94.3 | Very high | 94 | Very high | 78 Ų | 78 | 66 Ų | 66 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 176 | -72.7 | 171.3 | 172.6 | 0 | 0 | 112.9 | K220 H221 I222 K228 | K220-E224 WeakPolarHBondContact CE-OE1 3.36Å; K220-E224 WeakPolarHBondContact O-CG 3.47Å; K220-E224 PolarHBondContact O-N 3.43Å; H221-E224 IonicContact CE1-OE2 3.82Å; H221-E224 IonicContact CG-OE2 3.16Å; H221-E224 IonicContact ND1-OE2 3.93Å; H221-E224 PolarHBondContact ND1-OE2 3.01Å; H221-E224 PolarHBondContact O-N 3.13Å; I222-E224 PolarHBondContact O-N 3.02Å; E224-K228 WeakPolarHBondContact O-CG 3.49Å |
| 225 | Q | 95.3 | Very high | 94.1 | Very high | 23 Ų | 23 | 66 Ų | 66 | 11% | 0.107 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -73.7 | -37.9 | 178.3 | -66.3 | -61.8 | -25.4 | 0 | 0 | 112.1 | H221 I222 E223 A227 K228 L235 F287 | H221-Q225 VanDerWaalsContact O-CG 3.25Å; H221-Q225 WeakPolarHBondContact O-CG 3.35Å; H221-Q225 PolarHBondContact O-N 3.46Å; I222-Q225 PolarHBondContact O-N 2.95Å; E223-Q225 PolarHBondContact O-N 3.04Å; Q225-A227 PolarHBondContact O-N 3.18Å; Q225-K228 WeakPolarHBondContact O-CB 3.46Å; Q225-K228 PolarHBondContact O-N 3.2Å; Q225-K228 VanDerWaalsContact O-N 3.12Å; Q225-L235 HydrophobicContact CB-CD1 4.5Å; Q225-L235 HydrophobicContact CG-CD1 4.22Å; Q225-L235 HydrophobicContact CG-CD2 4.11Å; Q225-F287 HydrophobicContact CG-CE1 4.38Å; Q225-F287 HydrophobicContact CG-CZ 3.59Å; Q225-F287 VanDerWaalsContact NE2-CZ 3.35Å |
| 226 | N | 94.5 | Very high | 94.1 | Very high | 78 Ų | 78 | 66.6 Ų | 66.6 | 42% | 0.417 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.4 | -25.6 | 177.1 | -72.6 | -15.8 | 0 | 0 | 0 | 112.2 | Y200 I222 E223 K228 W232 | Y200-N226 PolarHBondContact OH-ND2 3.05Å; I222-N226 WeakPolarHBondContact CG2-ND2 3.39Å; I222-N226 VanDerWaalsContact O-CB 3.32Å; I222-N226 WeakPolarHBondContact O-CB 3.28Å; I222-N226 PolarHBondContact O-N 2.9Å; I222-N226 PolarHBondContact O-ND2 3.17Å; E223-N226 PolarHBondContact O-N 3.49Å; N226-K228 VanDerWaalsContact C-N 3.3Å; N226-W232 PolarHBondContact OD1-NE1 3.18Å |
| 227 | A | 94.6 | Very high | 94.2 | Very high | 87 Ų | 87 | 63.4 Ų | 63.4 | 72% | 0.719 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -17.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E223 Q225 | E223-A227 WeakPolarHBondContact O-CB 3.41Å; E223-A227 PolarHBondContact O-N 3.48Å; Q225-A227 PolarHBondContact O-N 3.18Å |
| 228 | K | 92.8 | Very high | 94.2 | Very high | 116 Ų | 116 | 61.3 Ų | 61.3 | 50% | 0.504 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -80.4 | 155 | 178.9 | -67.1 | 171.8 | -169.6 | 173.8 | 0 | 111.4 | E224 Q225 N226 G230 | E224-K228 WeakPolarHBondContact O-CG 3.49Å; Q225-K228 WeakPolarHBondContact O-CB 3.46Å; Q225-K228 PolarHBondContact O-N 3.2Å; Q225-K228 VanDerWaalsContact O-N 3.12Å; N226-K228 VanDerWaalsContact C-N 3.3Å; K228-G230 PolarHBondContact O-N 3.4Å; K228-G230 VanDerWaalsContact O-N 3.12Å |
| 229 | K | 81.1 | Confident | 93.6 | Very high | 225 Ų | 225 | 63.7 Ų | 63.7 | 98% | 0.978 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -73.4 | 101.4 | 169.8 | -68.4 | -175.5 | 179.9 | -179.4 | 0 | 109.4 | ||
| 230 | G | 81.5 | Confident | 92.9 | Very high | 60 Ų | 60 | 61.2 Ų | 61.2 | 62% | 0.619 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 155.6 | 155.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K228 | K228-G230 PolarHBondContact O-N 3.4Å; K228-G230 VanDerWaalsContact O-N 3.12Å |
| 231 | R | 89.4 | Confident | 92.2 | Very high | 239 Ų | 239 | 57.4 Ų | 57.4 | 90% | 0.902 | 31% | 0.307 | S | S | * | . | trans | -98.4 | 144.4 | 169.3 | -67.6 | -175.7 | 178.7 | 137.8 | -1 | 109 | ||||
| 232 | W | 96.3 | Very high | 91.8 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | trans | -118.9 | 145.9 | 170 | 59.1 | -95.8 | 0 | 0 | 0 | 109.1 | Y200 I222 N226 L235 L246 K248 I285 | Y200-W232 AromaticContact CD1-CH2 3.85Å; Y200-W232 HydrophobicContact CD1-CH2 3.85Å; Y200-W232 HydrophobicContact CD1-CZ2 4.43Å; Y200-W232 AromaticContact CE1-CH2 3.68Å; Y200-W232 HydrophobicContact CE1-CH2 3.68Å; Y200-W232 AromaticContact CE1-CZ2 3.81Å; Y200-W232 HydrophobicContact CE1-CZ2 3.81Å; I222-W232 HydrophobicContact CG2-CZ2 4.48Å; N226-W232 PolarHBondContact OD1-NE1 3.18Å; W232-L235 HydrophobicContact CB-CD2 4.18Å; W232-L235 HydrophobicContact CD2-CD1 4.07Å; W232-L235 HydrophobicContact CD2-CD2 4.01Å; W232-L235 HydrophobicContact CD2-CG 3.82Å; W232-L235 HydrophobicContact CE3-CD1 4.22Å; W232-L235 HydrophobicContact CE3-CD2 4.2Å; W232-L235 HydrophobicContact CE3-CG 3.67Å; W232-L235 HydrophobicContact CG-CD2 4.02Å; W232-L235 HydrophobicContact CG-CG 4.37Å; W232-L235 HydrophobicContact CH2-CD1 4.07Å; W232-L235 HydrophobicContact CH2-CG 4.29Å; W232-L235 HydrophobicContact CZ2-CD1 3.95Å; W232-L235 HydrophobicContact CZ2-CG 4.45Å; W232-L235 HydrophobicContact CZ3-CD1 4.22Å; W232-L235 HydrophobicContact CZ3-CG 3.92Å; W232-L246 HydrophobicContact CH2-CD2 4.13Å; W232-K248 HydrophobicContact CH2-CD 4.37Å; W232-K248 HydrophobicContact CH2-CG 3.7Å; W232-K248 VanDerWaalsContact CZ2-CE 3.46Å; W232-K248 HydrophobicContact CZ2-CG 4.21Å; W232-K248 HydrophobicContact CZ3-CG 3.99Å; W232-K248 PolarHBondContact O-NZ 3.27Å; W232-I285 HydrophobicContact CB-CD1 4.03Å | ||
| 233 | A | 96.5 | Very high | 91.6 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.033 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -104.3 | -33.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y247 M279 Q281 | A233-Y247 WeakPolarHBondContact O-CD1 3.49Å; A233-M279 HydrophobicContact CB-CB 3.37Å; A233-M279 HydrophobicContact CB-CG 4.12Å; A233-Q281 HydrophobicContact CB-CB 4.28Å |
| 234 | M | 97.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | trans | -144.8 | 133.2 | 178.8 | -169.6 | -160.3 | -60.5 | 0 | 0 | 111.3 | E236 K245 L246 Y247 M272 R276 Q281 | M234-E236 HydrophobicContact CG-CG 4.46Å; M234-E236 HydrophobicContact SD-CG 4Å; M234-K245 HydrophobicContact CG-CB 4.26Å; M234-K245 HydrophobicContact SD-CB 3.98Å; M234-K245 HydrophobicContact SD-CD 3.83Å; M234-K245 HydrophobicContact SD-CG 4.08Å; M234-L246 WeakPolarHBondContact CA-O 3.43Å; M234-Y247 HydrophobicContact CB-CD1 4.33Å; M234-Y247 HydrophobicContact CB-CE1 4.02Å; M234-Y247 HydrophobicContact CE-CE1 3.65Å; M234-Y247 WeakPolarHBondContact CE-OH 3.3Å; M234-Y247 HydrophobicContact CG-CD1 4.31Å; M234-Y247 HydrophobicContact CG-CE1 3.82Å; M234-Y247 HydrophobicContact CG-CE2 4.44Å; M234-Y247 HydrophobicContact SD-CE1 4.46Å; M234-M272 HydrophobicContact CE-CB 4.08Å; M234-M272 WeakPolarHBondContact CE-O 3.42Å; M234-R276 HydrophobicContact CB-CB 4.33Å; M234-R276 HydrophobicContact CB-CG 3.99Å; M234-R276 HydrophobicContact CE-CB 3.91Å; M234-Q281 PolarHBondContact O-NE2 2.91Å; M234-Q281 PolarHBondContact O-OE1 3.36Å | ||
| 235 | L | 98.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 143.9 | 168.2 | -61.8 | -176.9 | 0 | 0 | 0 | 109.6 | I222 Q225 W232 F237 L246 I285 F287 | I222-L235 HydrophobicContact CG1-CD1 4.2Å; Q225-L235 HydrophobicContact CB-CD1 4.5Å; Q225-L235 HydrophobicContact CG-CD1 4.22Å; Q225-L235 HydrophobicContact CG-CD2 4.11Å; W232-L235 HydrophobicContact CB-CD2 4.18Å; W232-L235 HydrophobicContact CD2-CD1 4.07Å; W232-L235 HydrophobicContact CD2-CD2 4.01Å; W232-L235 HydrophobicContact CD2-CG 3.82Å; W232-L235 HydrophobicContact CE3-CD1 4.22Å; W232-L235 HydrophobicContact CE3-CD2 4.2Å; W232-L235 HydrophobicContact CE3-CG 3.67Å; W232-L235 HydrophobicContact CG-CD2 4.02Å; W232-L235 HydrophobicContact CG-CG 4.37Å; W232-L235 HydrophobicContact CH2-CD1 4.07Å; W232-L235 HydrophobicContact CH2-CG 4.29Å; W232-L235 HydrophobicContact CZ2-CD1 3.95Å; W232-L235 HydrophobicContact CZ2-CG 4.45Å; W232-L235 HydrophobicContact CZ3-CD1 4.22Å; W232-L235 HydrophobicContact CZ3-CG 3.92Å; L235-F237 HydrophobicContact CB-CE2 4.17Å; L235-L246 HydrophobicContact CB-CB 4.19Å; L235-L246 HydrophobicContact CB-CD2 4.2Å; L235-L246 HydrophobicContact CD1-CD2 4.07Å; L235-L246 PolarHBondContact N-O 2.77Å; L235-L246 PolarHBondContact O-N 3.3Å; L235-I285 HydrophobicContact CD2-CB 3.85Å; L235-I285 HydrophobicContact CD2-CD1 3.99Å; L235-I285 HydrophobicContact CD2-CG2 3.67Å; L235-F287 HydrophobicContact CB-CE2 3.98Å; L235-F287 HydrophobicContact CD1-CE2 4.03Å; L235-F287 HydrophobicContact CD1-CZ 4.43Å; L235-F287 HydrophobicContact CD2-CE2 4.04Å; L235-F287 HydrophobicContact CD2-CZ 4.41Å; L235-F287 HydrophobicContact CG-CE2 4.21Å |
| 236 | E | 97.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.8 | -174 | -49.8 | -170.5 | -154.7 | 0 | 0 | 110.7 | M234 K245 R276 T284 I285 L286 F287 | M234-E236 HydrophobicContact CG-CG 4.46Å; M234-E236 HydrophobicContact SD-CG 4Å; E236-K245 HydrophobicContact CB-CD 4.17Å; E236-K245 HydrophobicContact CG-CD 3.78Å; E236-K245 IonicContact OE2-NZ 2.65Å; E236-K245 PolarHBondContact OE2-NZ 2.69Å; E236-R276 IonicContact OE1-CZ 3.13Å; E236-R276 IonicContact OE1-NH1 2.96Å; E236-R276 PolarHBondContact OE1-NH1 2.97Å; E236-T284 HydrophobicContact CG-CG2 4.15Å; E236-T284 WeakPolarHBondContact OE1-CG2 3.37Å; E236-T284 PolarHBondContact OE1-OG1 3.25Å; E236-T284 VanDerWaalsContact OE1-OG1 3.13Å; E236-I285 PolarHBondContact N-O 2.82Å; E236-L286 HydrophobicContact CB-CB 4.42Å; E236-L286 HydrophobicContact CB-CD1 4Å; E236-L286 WeakPolarHBondContact O-CA 3.48Å; E236-F287 PolarHBondContact O-N 2.87Å |
| 237 | F | 95.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -111.5 | 8.4 | 177.4 | -63.9 | -83 | 0 | 0 | 0 | 112.8 | L202 I218 H221 L235 G244 L246 F287 S290 L291 F292 | L202-F237 HydrophobicContact CD1-CD2 4.3Å; I218-F237 HydrophobicContact CB-CE1 4.38Å; I218-F237 HydrophobicContact CB-CE2 4.46Å; I218-F237 HydrophobicContact CB-CZ 4.07Å; I218-F237 HydrophobicContact CD1-CD2 4.43Å; I218-F237 HydrophobicContact CG1-CD1 4.02Å; I218-F237 HydrophobicContact CG1-CD2 4.1Å; I218-F237 HydrophobicContact CG1-CE1 3.8Å; I218-F237 HydrophobicContact CG1-CE2 3.89Å; I218-F237 HydrophobicContact CG1-CG 4.16Å; I218-F237 HydrophobicContact CG1-CZ 3.73Å; I218-F237 HydrophobicContact CG2-CE2 4.16Å; I218-F237 HydrophobicContact CG2-CZ 4.04Å; H221-F237 HydrophobicContact CB-CE1 4.14Å; H221-F237 HydrophobicContact CB-CZ 4.24Å; H221-F237 AromaticContact CD2-CE1 3.91Å; L235-F237 HydrophobicContact CB-CE2 4.17Å; F237-G244 PolarHBondContact N-O 3.3Å; F237-L246 HydrophobicContact CD2-CB 4.19Å; F237-L246 HydrophobicContact CE2-CB 3.86Å; F237-L246 HydrophobicContact CE2-CD2 4.02Å; F237-L246 HydrophobicContact CE2-CG 4.37Å; F237-F287 HydrophobicContact CD1-CB 4.07Å; F237-F287 HydrophobicContact CD1-CD2 4.03Å; F237-F287 HydrophobicContact CD1-CG 4.38Å; F237-F287 HydrophobicContact CE1-CB 4.16Å; F237-F287 AromaticContact CE1-CD2 3.56Å; F237-F287 HydrophobicContact CE1-CD2 3.56Å; F237-F287 HydrophobicContact CE1-CE2 4.21Å; F237-F287 HydrophobicContact CE1-CG 4.01Å; F237-F287 HydrophobicContact CE2-CD2 4.42Å; F237-F287 AromaticContact CZ-CD2 3.78Å; F237-F287 HydrophobicContact CZ-CD2 3.78Å; F237-F287 HydrophobicContact CZ-CE2 4.02Å; F237-S290 CarbonylContact O-C 3.51Å; F237-S290 WeakPolarHBondContact O-CA 3.49Å; F237-S290 WeakPolarHBondContact O-CB 3.41Å; F237-L291 HydrophobicContact CB-CB 4.26Å; F237-L291 HydrophobicContact CB-CD1 4.23Å; F237-L291 HydrophobicContact CB-CG 4.3Å; F237-L291 HydrophobicContact CD1-CD1 3.44Å; F237-L291 VanDerWaalsContact CD1-CD1 3.44Å; F237-L291 HydrophobicContact CD1-CG 4.04Å; F237-L291 HydrophobicContact CE1-CD1 4.08Å; F237-L291 HydrophobicContact CG-CD1 4.05Å; F237-L291 PolarHBondContact O-N 3.3Å; F237-F292 HydrophobicContact CB-CD2 4Å; F237-F292 HydrophobicContact CB-CE2 3.95Å |
| 238 | S | 92.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -151 | 145.5 | 164.1 | 175.3 | 0 | 0 | 0 | 0 | 108.8 | L240 K245 D310 | S238-L240 PolarHBondContact O-N 3.1Å; S238-L240 PolarHBondContact OG-N 3.3Å; S238-L240 VanDerWaalsContact OG-N 3.12Å; S238-K245 PolarHBondContact O-NZ 2.75Å; S238-D310 VanDerWaalsContact CA-OD2 3.31Å; S238-D310 WeakPolarHBondContact CA-OD2 3.42Å; S238-D310 WeakPolarHBondContact CB-OD2 3.11Å; S238-D310 PolarHBondContact OG-OD2 3.18Å | ||
| 239 | A | 85.3 | Confident | 92.3 | Very high | 51 Ų | 51 | 36.6 Ų | 36.6 | 42% | 0.421 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -77 | -8.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L286 D310 | A239-L286 HydrophobicContact CB-CD1 4.48Å; A239-L286 HydrophobicContact CB-CD2 4.02Å; A239-D310 PolarHBondContact N-OD2 3.28Å |
| 240 | L | 83.5 | Confident | 92.9 | Very high | 26 Ų | 26 | 26.9 Ų | 26.9 | 14% | 0.136 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -87.6 | 114 | -173.8 | -60.9 | -179.6 | 0 | 0 | 0 | 112.1 | S238 Y242 I243 H294 D310 | S238-L240 PolarHBondContact O-N 3.1Å; S238-L240 PolarHBondContact OG-N 3.3Å; S238-L240 VanDerWaalsContact OG-N 3.12Å; L240-Y242 PolarHBondContact O-N 3.32Å; L240-I243 HydrophobicContact CB-CD1 4.06Å; L240-I243 HydrophobicContact CD1-CD1 4.38Å; L240-I243 WeakPolarHBondContact O-CB 3.44Å; L240-I243 PolarHBondContact O-N 3.43Å; L240-H294 HydrophobicContact CD1-CB 3.74Å; L240-D310 HydrophobicContact CD1-CB 3.89Å; L240-D310 HydrophobicContact CG-CB 3.9Å |
| 241 | G | 82.1 | Confident | 93.6 | Very high | 40 Ų | 40 | 25.6 Ų | 25.6 | 41% | 0.412 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | -120 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K245 | G241-K245 WeakPolarHBondContact O-CE 3.36Å; G241-K245 PolarHBondContact O-NZ 3.31Å |
| 242 | Y | 85.8 | Confident | 93.9 | Very high | 28 Ų | 28 | 14.2 Ų | 14.2 | 11% | 0.11 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 11.4 | 176.6 | 42.4 | -96.8 | 0 | 0 | 0 | 113.3 | Q183 Y187 Q203 E205 L240 C268 D269 | Q183-Y242 PolarHBondContact NE2-OH 3.03Å; Y187-Y242 HydrophobicContact CE2-CD1 4.49Å; Y187-Y242 AromaticContact CE2-CD2 3.61Å; Y187-Y242 HydrophobicContact CE2-CD2 3.61Å; Y187-Y242 AromaticContact CE2-CE2 3.61Å; Y187-Y242 HydrophobicContact CE2-CE2 3.61Å; Y187-Y242 HydrophobicContact CE2-CG 4.1Å; Y187-Y242 AromaticContact CZ-CD2 3.93Å; Y187-Y242 AromaticContact CZ-CE2 3.75Å; Y187-Y242 WeakPolarHBondContact OH-CE2 3.47Å; Q203-Y242 WeakPolarHBondContact CG-O 3.45Å; E205-Y242 HydrophobicContact CG-CD2 3.83Å; E205-Y242 HydrophobicContact CG-CE2 3.28Å; E205-Y242 WeakPolarHBondContact OE1-CE2 3.38Å; E205-Y242 VanDerWaalsContact OE1-CZ 3.31Å; E205-Y242 PolarHBondContact OE1-OH 2.95Å; E205-Y242 PolarHBondContact OE2-OH 3.33Å; L240-Y242 PolarHBondContact O-N 3.32Å; Y242-C268 WeakPolarHBondContact CD1-SG 3.44Å; Y242-C268 WeakPolarHBondContact CE1-SG 3.26Å; Y242-D269 HydrophobicContact CD1-CB 3.78Å; Y242-D269 HydrophobicContact CE1-CB 4.47Å |
| 243 | I | 93.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 135 | 174.3 | -60.4 | 168.4 | 0 | 0 | 0 | 109.3 | L204 E205 V208 L240 K245 F292 H294 | L204-I243 HydrophobicContact CD2-CG2 4.1Å; E205-I243 HydrophobicContact CB-CG1 4.3Å; E205-I243 HydrophobicContact CG-CD1 4.36Å; E205-I243 HydrophobicContact CG-CG1 3.81Å; E205-I243 WeakPolarHBondContact OE1-CG1 3.3Å; V208-I243 HydrophobicContact CG1-CG2 4.34Å; V208-I243 HydrophobicContact CG2-CD1 3.94Å; V208-I243 HydrophobicContact CG2-CG1 4.13Å; V208-I243 HydrophobicContact CG2-CG2 3.98Å; L240-I243 HydrophobicContact CB-CD1 4.06Å; L240-I243 HydrophobicContact CD1-CD1 4.38Å; L240-I243 WeakPolarHBondContact O-CB 3.44Å; L240-I243 PolarHBondContact O-N 3.43Å; I243-K245 VanDerWaalsContact C-N 3.32Å; I243-K245 WeakPolarHBondContact O-CE 3.41Å; I243-K245 PolarHBondContact O-N 3.08Å; I243-F292 HydrophobicContact CG2-CB 3.63Å; I243-F292 HydrophobicContact CG2-CG 4.44Å; I243-H294 HydrophobicContact CD1-CB 3.97Å |
| 244 | G | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.6 | 27.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q203 F237 | Q203-G244 PolarHBondContact O-N 3.02Å; F237-G244 PolarHBondContact N-O 3.3Å |
| 245 | K | 97.6 | Very high | 93.9 | Very high | 8 Ų | 8 | 15.2 Ų | 15.2 | 4% | 0.035 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 115.5 | 177.6 | -51.5 | -51.1 | 176.9 | -165.3 | 0 | 109.8 | L202 Q203 M234 E236 S238 G241 I243 Y247 | L202-K245 WeakPolarHBondContact CA-O 3.36Å; Q203-K245 HydrophobicContact CB-CB 4.34Å; Q203-K245 PolarHBondContact N-O 2.92Å; Q203-K245 PolarHBondContact O-N 3.15Å; M234-K245 HydrophobicContact CG-CB 4.26Å; M234-K245 HydrophobicContact SD-CB 3.98Å; M234-K245 HydrophobicContact SD-CD 3.83Å; M234-K245 HydrophobicContact SD-CG 4.08Å; E236-K245 HydrophobicContact CB-CD 4.17Å; E236-K245 HydrophobicContact CG-CD 3.78Å; E236-K245 IonicContact OE2-NZ 2.65Å; E236-K245 PolarHBondContact OE2-NZ 2.69Å; S238-K245 PolarHBondContact O-NZ 2.75Å; G241-K245 WeakPolarHBondContact O-CE 3.36Å; G241-K245 PolarHBondContact O-NZ 3.31Å; I243-K245 VanDerWaalsContact C-N 3.32Å; I243-K245 WeakPolarHBondContact O-CE 3.41Å; I243-K245 PolarHBondContact O-N 3.08Å; K245-Y247 HydrophobicContact CB-CE2 3.71Å |
| 246 | L | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 134.1 | -177 | -174.5 | 94.6 | 0 | 0 | 0 | 110.9 | L82 Y200 Y201 L202 I218 I222 W232 M234 L235 F237 | L82-L246 HydrophobicContact CD1-CD1 3.53Å; Y200-L246 HydrophobicContact CD1-CD2 4.46Å; Y201-L246 CarbonylContact O-C 3.51Å; Y201-L246 VanDerWaalsContact O-CA 3.24Å; Y201-L246 WeakPolarHBondContact O-CA 3.42Å; L202-L246 HydrophobicContact CB-CD1 4.12Å; L202-L246 HydrophobicContact CD1-CB 4.06Å; L202-L246 HydrophobicContact CD1-CD1 4.09Å; I218-L246 HydrophobicContact CG2-CD1 4.04Å; I218-L246 HydrophobicContact CG2-CD2 4.31Å; I222-L246 HydrophobicContact CD1-CD2 3.57Å; I222-L246 HydrophobicContact CG1-CD2 3.65Å; W232-L246 HydrophobicContact CH2-CD2 4.13Å; M234-L246 WeakPolarHBondContact CA-O 3.43Å; L235-L246 HydrophobicContact CB-CB 4.19Å; L235-L246 HydrophobicContact CB-CD2 4.2Å; L235-L246 HydrophobicContact CD1-CD2 4.07Å; L235-L246 PolarHBondContact N-O 2.77Å; L235-L246 PolarHBondContact O-N 3.3Å; F237-L246 HydrophobicContact CD2-CB 4.19Å; F237-L246 HydrophobicContact CE2-CB 3.86Å; F237-L246 HydrophobicContact CE2-CD2 4.02Å; F237-L246 HydrophobicContact CE2-CG 4.37Å |
| 247 | Y | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 160.9 | 179.1 | -57.3 | -93.3 | 0 | 0 | 0 | 110.9 | Y200 Y201 A233 M234 K245 L252 L255 M272 F275 | Y200-Y247 CarbonylContact C-O 3.46Å; Y200-Y247 WeakPolarHBondContact CA-O 3.14Å; Y201-Y247 HydrophobicContact CD1-CD2 4.14Å; Y201-Y247 PolarHBondContact N-O 3.13Å; Y201-Y247 PolarHBondContact O-N 2.66Å; A233-Y247 WeakPolarHBondContact O-CD1 3.49Å; M234-Y247 HydrophobicContact CB-CD1 4.33Å; M234-Y247 HydrophobicContact CB-CE1 4.02Å; M234-Y247 HydrophobicContact CE-CE1 3.65Å; M234-Y247 WeakPolarHBondContact CE-OH 3.3Å; M234-Y247 HydrophobicContact CG-CD1 4.31Å; M234-Y247 HydrophobicContact CG-CE1 3.82Å; M234-Y247 HydrophobicContact CG-CE2 4.44Å; M234-Y247 HydrophobicContact SD-CE1 4.46Å; K245-Y247 HydrophobicContact CB-CE2 3.71Å; Y247-L252 HydrophobicContact CG-CD2 4.35Å; Y247-L255 HydrophobicContact CD1-CD2 3.85Å; Y247-L255 HydrophobicContact CD2-CD2 4.06Å; Y247-L255 HydrophobicContact CE1-CD2 3.64Å; Y247-L255 HydrophobicContact CE2-CD2 3.87Å; Y247-L255 HydrophobicContact CG-CD2 4.03Å; Y247-M272 WeakPolarHBondContact OH-CB 3.26Å; Y247-M272 WeakPolarHBondContact OH-CG 3.3Å; Y247-M272 PolarHBondContact OH-SD 3.09Å; Y247-F275 HydrophobicContact CE1-CD1 4.29Å |
| 248 | K | 96.6 | Very high | 93.9 | Very high | 56 Ų | 56 | 16.6 Ų | 16.6 | 24% | 0.243 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 141.8 | 166.5 | -66.8 | 168.1 | -174.9 | 155.5 | 0 | 109.4 | Y200 W232 A250 D251 | Y200-K248 HydrophobicContact CD1-CG 4.2Å; Y200-K248 HydrophobicContact CE1-CG 3.97Å; W232-K248 HydrophobicContact CH2-CD 4.37Å; W232-K248 HydrophobicContact CH2-CG 3.7Å; W232-K248 VanDerWaalsContact CZ2-CE 3.46Å; W232-K248 HydrophobicContact CZ2-CG 4.21Å; W232-K248 HydrophobicContact CZ3-CG 3.99Å; W232-K248 PolarHBondContact O-NZ 3.27Å; K248-A250 PolarHBondContact O-N 2.69Å; K248-D251 PolarHBondContact O-N 3.4Å |
| 249 | S | 94.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -59 | -33.4 | -179.4 | -162.6 | 0 | 0 | 0 | 0 | 112.8 | G196 G198 Q199 D251 L252 P253 | G196-S249 PolarHBondContact N-OG 2.88Å; G198-S249 WeakPolarHBondContact O-CB 3.33Å; G198-S249 PolarHBondContact O-OG 2.9Å; Q199-S249 WeakPolarHBondContact O-CB 3.26Å; Q199-S249 PolarHBondContact O-N 3.06Å; S249-D251 PolarHBondContact O-N 3.32Å; S249-L252 WeakPolarHBondContact O-CB 3.19Å; S249-L252 PolarHBondContact O-N 3Å; S249-P253 WeakPolarHBondContact O-CD 3.35Å |
| 250 | A | 93.6 | Very high | 94.8 | Very high | 21 Ų | 21 | 16.8 Ų | 16.8 | 17% | 0.174 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -60.5 | -28 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E53 S54 K248 | E53-A250 HydrophobicContact CB-CB 3.84Å; S54-A250 WeakPolarHBondContact CB-O 3.17Å; S54-A250 PolarHBondContact OG-O 3.03Å; S54-A250 VanDerWaalsContact OG-O 3.1Å; K248-A250 PolarHBondContact O-N 2.69Å |
| 251 | D | 95.6 | Very high | 95.4 | Very high | 33 Ų | 33 | 20.6 Ų | 20.6 | 18% | 0.176 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -88.2 | -16.3 | -178.5 | -63.4 | -39 | 0 | 0 | 0 | 112.7 | K248 S249 L254 L255 | K248-D251 PolarHBondContact O-N 3.4Å; S249-D251 PolarHBondContact O-N 3.32Å; D251-L254 PolarHBondContact O-N 2.62Å; D251-L254 VanDerWaalsContact O-N 3.16Å; D251-L255 PolarHBondContact O-N 3.3Å |
| 252 | L | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.8 | -40.3 | -175.4 | -57.4 | -175.1 | 0 | 0 | 0 | 114.3 | I191 A195 Y201 Y247 S249 L254 L255 A256 | I191-L252 HydrophobicContact CG2-CB 3.71Å; I191-L252 HydrophobicContact CG2-CD2 3.92Å; I191-L252 HydrophobicContact CG2-CG 4.23Å; A195-L252 HydrophobicContact CB-CB 3.98Å; A195-L252 HydrophobicContact CB-CD1 4.47Å; Y201-L252 HydrophobicContact CD1-CD1 4.37Å; Y201-L252 HydrophobicContact CD1-CD2 3.81Å; Y201-L252 HydrophobicContact CD2-CD1 4.04Å; Y201-L252 HydrophobicContact CG-CD1 3.69Å; Y201-L252 HydrophobicContact CG-CD2 3.94Å; Y201-L252 HydrophobicContact CG-CG 4.47Å; Y247-L252 HydrophobicContact CG-CD2 4.35Å; S249-L252 WeakPolarHBondContact O-CB 3.19Å; S249-L252 PolarHBondContact O-N 3Å; L252-L254 PolarHBondContact O-N 3.24Å; L252-L255 HydrophobicContact CD2-CD2 4.39Å; L252-L255 PolarHBondContact O-N 3.07Å; L252-A256 WeakPolarHBondContact O-CB 3.28Å; L252-A256 PolarHBondContact O-N 2.81Å |
| 253 | P | 96 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.5 | -38.3 | 176.5 | -30 | 40.7 | 0 | 0 | 0 | 112.8 | S54 E57 A195 S249 R257 | S54-P253 WeakPolarHBondContact OG-CB 3.46Å; S54-P253 WeakPolarHBondContact OG-CG 3.44Å; E57-P253 HydrophobicContact CG-CB 3.51Å; E57-P253 HydrophobicContact CG-CG 3.68Å; E57-P253 VanDerWaalsContact OE1-CB 3.29Å; E57-P253 WeakPolarHBondContact OE1-CB 3.26Å; E57-P253 WeakPolarHBondContact OE1-CG 3.38Å; A195-P253 HydrophobicContact CB-CG 3.96Å; S249-P253 WeakPolarHBondContact O-CD 3.35Å; P253-R257 VanDerWaalsContact O-CD 3.25Å; P253-R257 WeakPolarHBondContact O-CD 3.27Å; P253-R257 VanDerWaalsContact O-CG 3.28Å; P253-R257 WeakPolarHBondContact O-CG 3.33Å; P253-R257 PolarHBondContact O-N 2.75Å; P253-R257 PolarHBondContact O-NH1 2.72Å |
| 254 | L | 96.2 | Very high | 96.6 | Very high | 39 Ų | 39 | 24.5 Ų | 24.5 | 20% | 0.204 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -73.7 | -43.7 | 177.2 | -173.6 | 64.4 | 0 | 0 | 0 | 111.2 | W55 D251 L252 A256 R257 F258 F275 M279 | W55-L254 HydrophobicContact CZ2-CD1 4.05Å; W55-L254 HydrophobicContact CZ2-CD2 4.32Å; D251-L254 PolarHBondContact O-N 2.62Å; D251-L254 VanDerWaalsContact O-N 3.16Å; L252-L254 PolarHBondContact O-N 3.24Å; L254-A256 PolarHBondContact O-N 3.19Å; L254-R257 PolarHBondContact O-N 3.43Å; L254-F258 WeakPolarHBondContact O-CB 3.1Å; L254-F258 PolarHBondContact O-N 2.98Å; L254-F275 HydrophobicContact CB-CE2 4.47Å; L254-F275 HydrophobicContact CD2-CE2 4.15Å; L254-F275 HydrophobicContact CD2-CZ 4.42Å; L254-F275 HydrophobicContact CG-CE2 4.02Å; L254-M279 HydrophobicContact CD2-SD 4.27Å |
| 255 | L | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.1 | -44.9 | 177.2 | 176 | 61 | 0 | 0 | 0 | 112.1 | I191 Y247 D251 L252 R257 F258 L259 F275 | I191-L255 HydrophobicContact CD1-CD2 3.98Å; I191-L255 HydrophobicContact CD1-CG 4.23Å; I191-L255 HydrophobicContact CG2-CB 4.48Å; I191-L255 HydrophobicContact CG2-CD2 4.29Å; I191-L255 HydrophobicContact CG2-CG 4.4Å; Y247-L255 HydrophobicContact CD1-CD2 3.85Å; Y247-L255 HydrophobicContact CD2-CD2 4.06Å; Y247-L255 HydrophobicContact CE1-CD2 3.64Å; Y247-L255 HydrophobicContact CE2-CD2 3.87Å; Y247-L255 HydrophobicContact CG-CD2 4.03Å; D251-L255 PolarHBondContact O-N 3.3Å; L252-L255 HydrophobicContact CD2-CD2 4.39Å; L252-L255 PolarHBondContact O-N 3.07Å; L255-R257 PolarHBondContact O-N 3.32Å; L255-F258 WeakPolarHBondContact O-CB 3.19Å; L255-F258 PolarHBondContact O-N 3.28Å; L255-L259 HydrophobicContact CD1-CD1 4.49Å; L255-L259 HydrophobicContact CD1-CG 4.3Å; L255-L259 WeakPolarHBondContact O-CG 3.21Å; L255-L259 PolarHBondContact O-N 3.31Å; L255-F275 HydrophobicContact CB-CE1 4.17Å; L255-F275 HydrophobicContact CB-CE2 4.16Å; L255-F275 HydrophobicContact CB-CZ 3.93Å; L255-F275 HydrophobicContact CD1-CB 4.11Å; L255-F275 HydrophobicContact CD1-CD1 3.81Å; L255-F275 HydrophobicContact CD1-CD2 4.01Å; L255-F275 HydrophobicContact CD1-CE1 4.21Å; L255-F275 HydrophobicContact CD1-CE2 4.4Å; L255-F275 HydrophobicContact CD1-CG 3.7Å; L255-F275 HydrophobicContact CD1-CZ 4.49Å |
| 256 | A | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.9 | -48.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L64 S188 I191 H192 L252 L254 F258 L259 F260 | L64-A256 HydrophobicContact CD2-CB 4.3Å; S188-A256 WeakPolarHBondContact CB-O 3.27Å; S188-A256 WeakPolarHBondContact O-CB 3.47Å; S188-A256 PolarHBondContact OG-O 3.14Å; S188-A256 VanDerWaalsContact OG-O 3.04Å; I191-A256 HydrophobicContact CB-CB 4.31Å; I191-A256 HydrophobicContact CG2-CB 4.03Å; H192-A256 HydrophobicContact CB-CB 3.73Å; L252-A256 WeakPolarHBondContact O-CB 3.28Å; L252-A256 PolarHBondContact O-N 2.81Å; L254-A256 PolarHBondContact O-N 3.19Å; A256-F258 VanDerWaalsContact C-N 3.31Å; A256-F258 PolarHBondContact O-N 3.49Å; A256-L259 PolarHBondContact O-N 2.89Å; A256-F260 WeakPolarHBondContact O-CB 3.39Å; A256-F260 PolarHBondContact O-N 2.97Å |
| 257 | R | 96.8 | Very high | 95.8 | Very high | 14 Ų | 14 | 30 Ų | 30 | 5% | 0.053 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -40.1 | 176.3 | -70.5 | 163 | 174.1 | 75.1 | -1.8 | 111.8 | Y61 L62 L64 P253 L254 L255 F260 L261 | Y61-R257 PolarHBondContact O-NE 3.3Å; L62-R257 WeakPolarHBondContact O-CD 3.16Å; L62-R257 PolarHBondContact O-NE 3.41Å; L62-R257 PolarHBondContact O-NH2 3.19Å; L64-R257 HydrophobicContact CB-CG 4.44Å; P253-R257 VanDerWaalsContact O-CD 3.25Å; P253-R257 WeakPolarHBondContact O-CD 3.27Å; P253-R257 VanDerWaalsContact O-CG 3.28Å; P253-R257 WeakPolarHBondContact O-CG 3.33Å; P253-R257 PolarHBondContact O-N 2.75Å; P253-R257 PolarHBondContact O-NH1 2.72Å; L254-R257 PolarHBondContact O-N 3.43Å; L255-R257 PolarHBondContact O-N 3.32Å; R257-F260 PolarHBondContact O-N 3.28Å; R257-L261 WeakPolarHBondContact O-CB 3.35Å; R257-L261 WeakPolarHBondContact O-CG 3.34Å; R257-L261 PolarHBondContact O-N 2.92Å |
| 258 | F | 97.6 | Very high | 95.5 | Very high | 29 Ų | 29 | 30 Ų | 30 | 13% | 0.127 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60 | -49.3 | 176.7 | -175.8 | -96.3 | 0 | 0 | 0 | 111.3 | L254 L255 A256 F260 L261 F262 L271 H274 F275 L278 | L254-F258 WeakPolarHBondContact O-CB 3.1Å; L254-F258 PolarHBondContact O-N 2.98Å; L255-F258 WeakPolarHBondContact O-CB 3.19Å; L255-F258 PolarHBondContact O-N 3.28Å; A256-F258 VanDerWaalsContact C-N 3.31Å; A256-F258 PolarHBondContact O-N 3.49Å; F258-F260 VanDerWaalsContact C-N 3.31Å; F258-F260 PolarHBondContact O-N 3.26Å; F258-L261 PolarHBondContact O-N 3.08Å; F258-F262 AromaticContact CD2-CD2 3.73Å; F258-F262 HydrophobicContact CD2-CD2 3.73Å; F258-F262 AromaticContact CD2-CE2 3.68Å; F258-F262 HydrophobicContact CD2-CE2 3.68Å; F258-F262 HydrophobicContact CE1-CD2 4.39Å; F258-F262 AromaticContact CE2-CD2 3.59Å; F258-F262 HydrophobicContact CE2-CD2 3.59Å; F258-F262 AromaticContact CE2-CE2 3.46Å; F258-F262 HydrophobicContact CE2-CE2 3.46Å; F258-F262 VanDerWaalsContact CE2-CE2 3.46Å; F258-F262 HydrophobicContact CE2-CZ 4.44Å; F258-F262 HydrophobicContact CG-CD2 4.2Å; F258-F262 AromaticContact CZ-CD2 3.95Å; F258-F262 HydrophobicContact CZ-CD2 3.95Å; F258-F262 HydrophobicContact CZ-CE2 4.19Å; F258-F262 VanDerWaalsContact O-CD2 3.32Å; F258-F262 WeakPolarHBondContact O-CD2 3.26Å; F258-F262 PolarHBondContact O-N 3.44Å; F258-F262 VanDerWaalsContact O-N 3.11Å; F258-L271 HydrophobicContact CD1-CB 4.41Å; F258-L271 HydrophobicContact CE1-CB 3.9Å; F258-L271 HydrophobicContact CE1-CD2 4.06Å; F258-L271 VanDerWaalsContact CE1-O 3.26Å; F258-L271 WeakPolarHBondContact CE1-O 3.48Å; F258-L271 HydrophobicContact CZ-CD2 4.46Å; F258-H274 HydrophobicContact CZ-CB 4.37Å; F258-F275 HydrophobicContact CB-CD2 4.07Å; F258-F275 HydrophobicContact CB-CE2 4.5Å; F258-F275 HydrophobicContact CD1-CB 4.06Å; F258-F275 HydrophobicContact CD1-CD2 4.15Å; F258-F275 HydrophobicContact CD2-CD2 4.45Å; F258-F275 HydrophobicContact CE1-CB 4.1Å; F258-F275 AromaticContact CG-CD2 3.96Å; F258-F275 HydrophobicContact CG-CD2 3.96Å; F258-L278 HydrophobicContact CE2-CD1 3.65Å; F258-L278 HydrophobicContact CZ-CD1 4.01Å |
| 259 | L | 98 | Very high | 95 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.8 | -39.6 | 175.9 | -65.5 | 178.4 | 0 | 0 | 0 | 112.2 | I191 L255 A256 Y263 L271 M272 | I191-L259 HydrophobicContact CD1-CD1 3.62Å; L255-L259 HydrophobicContact CD1-CD1 4.49Å; L255-L259 HydrophobicContact CD1-CG 4.3Å; L255-L259 WeakPolarHBondContact O-CG 3.21Å; L255-L259 PolarHBondContact O-N 3.31Å; A256-L259 PolarHBondContact O-N 2.89Å; L259-Y263 WeakPolarHBondContact O-CA 3.31Å; L259-Y263 WeakPolarHBondContact O-CB 3.4Å; L259-Y263 PolarHBondContact O-N 3.18Å; L259-Y263 VanDerWaalsContact O-N 3.14Å; L259-L271 HydrophobicContact CD2-CB 3.65Å; L259-L271 HydrophobicContact CD2-CD1 4.06Å; L259-M272 HydrophobicContact CD1-CE 3.85Å; L259-M272 HydrophobicContact CD2-CG 4.28Å |
| 260 | F | 97.6 | Very high | 94.8 | Very high | 54 Ų | 54 | 35.1 Ų | 35.1 | 24% | 0.237 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.8 | -47.9 | 176.9 | -169.7 | -95.5 | 0 | 0 | 0 | 112.4 | L64 P161 V185 S188 F189 A256 R257 F258 F262 Y263 | L64-F260 HydrophobicContact CD1-CB 4.29Å; L64-F260 HydrophobicContact CD1-CD1 3.93Å; L64-F260 HydrophobicContact CD1-CD2 3.8Å; L64-F260 HydrophobicContact CD1-CE1 4.18Å; L64-F260 HydrophobicContact CD1-CE2 4.04Å; L64-F260 HydrophobicContact CD1-CG 3.73Å; L64-F260 HydrophobicContact CD1-CZ 4.23Å; P161-F260 HydrophobicContact CB-CZ 4.48Å; P161-F260 HydrophobicContact CG-CE2 4.17Å; P161-F260 HydrophobicContact CG-CZ 4.29Å; V185-F260 HydrophobicContact CG1-CD2 4.45Å; V185-F260 HydrophobicContact CG1-CE2 4.39Å; S188-F260 WeakPolarHBondContact OG-CB 3.25Å; F189-F260 HydrophobicContact CE1-CD2 4.14Å; F189-F260 AromaticContact CE1-CE2 3.98Å; F189-F260 HydrophobicContact CE1-CE2 3.98Å; F189-F260 HydrophobicContact CZ-CE2 4.04Å; A256-F260 WeakPolarHBondContact O-CB 3.39Å; A256-F260 PolarHBondContact O-N 2.97Å; R257-F260 PolarHBondContact O-N 3.28Å; F258-F260 VanDerWaalsContact C-N 3.31Å; F258-F260 PolarHBondContact O-N 3.26Å; F260-F262 VanDerWaalsContact C-N 3.32Å; F260-F262 PolarHBondContact O-N 2.8Å; F260-Y263 WeakPolarHBondContact O-CB 3.36Å; F260-Y263 WeakPolarHBondContact O-CD1 3.49Å; F260-Y263 PolarHBondContact O-N 3.37Å |
| 261 | L | 96.5 | Very high | 95 | Very high | 106 Ų | 106 | 34.3 Ų | 34.3 | 56% | 0.555 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -64.9 | -37.9 | -176.8 | -74.1 | 168.7 | 0 | 0 | 0 | 111.8 | R257 F258 | R257-L261 WeakPolarHBondContact O-CB 3.35Å; R257-L261 WeakPolarHBondContact O-CG 3.34Å; R257-L261 PolarHBondContact O-N 2.92Å; F258-L261 PolarHBondContact O-N 3.08Å |
| 262 | F | 96.6 | Very high | 95 | Very high | 87 Ų | 87 | 32.9 Ų | 32.9 | 38% | 0.382 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 17.4 | -177.8 | -65.5 | -76.6 | 0 | 0 | 0 | 113.4 | F258 F260 Q264 E265 L271 | F258-F262 AromaticContact CD2-CD2 3.73Å; F258-F262 HydrophobicContact CD2-CD2 3.73Å; F258-F262 AromaticContact CD2-CE2 3.68Å; F258-F262 HydrophobicContact CD2-CE2 3.68Å; F258-F262 HydrophobicContact CE1-CD2 4.39Å; F258-F262 AromaticContact CE2-CD2 3.59Å; F258-F262 HydrophobicContact CE2-CD2 3.59Å; F258-F262 AromaticContact CE2-CE2 3.46Å; F258-F262 HydrophobicContact CE2-CE2 3.46Å; F258-F262 VanDerWaalsContact CE2-CE2 3.46Å; F258-F262 HydrophobicContact CE2-CZ 4.44Å; F258-F262 HydrophobicContact CG-CD2 4.2Å; F258-F262 AromaticContact CZ-CD2 3.95Å; F258-F262 HydrophobicContact CZ-CD2 3.95Å; F258-F262 HydrophobicContact CZ-CE2 4.19Å; F258-F262 VanDerWaalsContact O-CD2 3.32Å; F258-F262 WeakPolarHBondContact O-CD2 3.26Å; F258-F262 PolarHBondContact O-N 3.44Å; F258-F262 VanDerWaalsContact O-N 3.11Å; F260-F262 VanDerWaalsContact C-N 3.32Å; F260-F262 PolarHBondContact O-N 2.8Å; F262-Q264 PolarHBondContact O-N 2.91Å; F262-Q264 VanDerWaalsContact O-N 3.08Å; F262-E265 HydrophobicContact CB-CB 4.43Å; F262-E265 HydrophobicContact CB-CG 4.49Å; F262-E265 HydrophobicContact CD1-CB 4.44Å; F262-E265 HydrophobicContact CD1-CG 4.01Å; F262-E265 PolarHBondContact O-N 3.48Å; F262-L271 HydrophobicContact CB-CD1 3.89Å; F262-L271 HydrophobicContact CB-CD2 3.62Å; F262-L271 HydrophobicContact CB-CG 4.44Å; F262-L271 HydrophobicContact CG-CD2 4.36Å |
| 263 | Y | 96.1 | Very high | 94.8 | Very high | 15 Ų | 15 | 34.5 Ų | 34.5 | 6% | 0.059 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -30.5 | -171 | 85.1 | -78.5 | 0 | 0 | 0 | 114.1 | P161 P162 L163 L166 S181 N184 V185 L259 F260 | P161-Y263 HydrophobicContact CB-CE1 4.01Å; P161-Y263 HydrophobicContact CB-CE2 4.32Å; P161-Y263 HydrophobicContact CG-CD1 4.29Å; P161-Y263 HydrophobicContact CG-CD2 4.14Å; P161-Y263 HydrophobicContact CG-CE1 3.83Å; P161-Y263 HydrophobicContact CG-CE2 3.69Å; P161-Y263 HydrophobicContact CG-CG 4.43Å; P162-Y263 WeakPolarHBondContact O-CE2 3.49Å; P162-Y263 PolarHBondContact O-OH 2.99Å; L163-Y263 HydrophobicContact CD2-CE2 4.4Å; L166-Y263 HydrophobicContact CD2-CE2 3.94Å; S181-Y263 VanDerWaalsContact CA-O 3.24Å; S181-Y263 WeakPolarHBondContact CA-O 3.44Å; S181-Y263 VanDerWaalsContact CB-O 3.27Å; S181-Y263 WeakPolarHBondContact CB-O 3.49Å; S181-Y263 PolarHBondContact OG-O 2.77Å; N184-Y263 PolarHBondContact ND2-O 3.24Å; V185-Y263 HydrophobicContact CG2-CD2 3.66Å; V185-Y263 HydrophobicContact CG2-CE2 4.41Å; V185-Y263 HydrophobicContact CG2-CG 3.87Å; L259-Y263 WeakPolarHBondContact O-CA 3.31Å; L259-Y263 WeakPolarHBondContact O-CB 3.4Å; L259-Y263 PolarHBondContact O-N 3.18Å; L259-Y263 VanDerWaalsContact O-N 3.14Å; F260-Y263 WeakPolarHBondContact O-CB 3.36Å; F260-Y263 WeakPolarHBondContact O-CD1 3.49Å; F260-Y263 PolarHBondContact O-N 3.37Å |
| 264 | Q | 94.6 | Very high | 94.9 | Very high | 50 Ų | 50 | 38 Ų | 38 | 23% | 0.234 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -22.9 | 177.7 | -48.8 | -167.4 | 43.2 | 0 | 0 | 112.5 | L166 R180 F262 | L166-Q264 HydrophobicContact CD2-CB 4.44Å; L166-Q264 HydrophobicContact CD2-CG 3.78Å; R180-Q264 PolarHBondContact NH1-O 3.37Å; R180-Q264 VanDerWaalsContact NH1-O 3.08Å; F262-Q264 PolarHBondContact O-N 2.91Å; F262-Q264 VanDerWaalsContact O-N 3.08Å |
| 265 | E | 93.2 | Very high | 94.9 | Very high | 49 Ų | 49 | 36.4 Ų | 36.4 | 23% | 0.229 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -50.8 | -161.9 | -58.8 | -54.8 | 155.9 | 0 | 0 | 112.1 | K167 N169 Y170 F262 | K167-E265 IonicContact NZ-OE1 2.71Å; K167-E265 PolarHBondContact NZ-OE1 3.38Å; K167-E265 IonicContact NZ-OE2 3.99Å; N169-E265 WeakPolarHBondContact ND2-CA 3.32Å; N169-E265 PolarHBondContact ND2-O 2.94Å; N169-E265 PolarHBondContact ND2-OE2 3.45Å; Y170-E265 WeakPolarHBondContact CE2-O 3.29Å; F262-E265 HydrophobicContact CB-CB 4.43Å; F262-E265 HydrophobicContact CB-CG 4.49Å; F262-E265 HydrophobicContact CD1-CB 4.44Å; F262-E265 HydrophobicContact CD1-CG 4.01Å; F262-E265 PolarHBondContact O-N 3.48Å |
| 266 | M | 91.2 | Very high | 94.9 | Very high | 49 Ų | 49 | 37.3 Ų | 37.3 | 24% | 0.241 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -143.2 | 160.5 | -173.6 | -50.2 | -170.2 | -175.1 | 0 | 0 | 112.1 | Y170 N184 W270 L271 | Y170-M266 HydrophobicContact CE2-CB 4.46Å; Y170-M266 HydrophobicContact CE2-CG 4.13Å; Y170-M266 WeakPolarHBondContact OH-CE 3.43Å; Y170-M266 WeakPolarHBondContact OH-CG 3.29Å; N184-M266 PolarHBondContact ND2-O 3.27Å; M266-W270 HydrophobicContact CB-CB 4.35Å; M266-W270 HydrophobicContact SD-CE3 4.42Å; M266-L271 HydrophobicContact CB-CD2 3.93Å; M266-L271 HydrophobicContact CB-CG 4.06Å; M266-L271 HydrophobicContact CG-CD2 4.26Å; M266-L271 HydrophobicContact SD-CD2 4.47Å |
| 267 | P | 90.4 | Very high | 94.8 | Very high | 24 Ų | 24 | 41.7 Ų | 41.7 | 16% | 0.156 | 20% | 0.196 | C | C | . | . | trans | -57.7 | 155.3 | 167.1 | -23.4 | 34.4 | 0 | 0 | 0 | 113.7 | D269 W270 L271 | P267-D269 WeakPolarHBondContact CB-OD1 3.43Å; P267-D269 PolarHBondContact O-N 2.65Å; P267-W270 PolarHBondContact O-N 3.35Å; P267-L271 PolarHBondContact O-N 3.44Å; P267-L271 VanDerWaalsContact O-N 3.13Å | ||
| 268 | C | 91.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.2 | -36.9 | -173.2 | 57 | 0 | 0 | 0 | 0 | 114.5 | N184 Y187 Y242 W270 L271 M272 | N184-C268 WeakPolarHBondContact OD1-CA 3.48Å; N184-C268 WeakPolarHBondContact OD1-CB 3.5Å; N184-C268 PolarHBondContact OD1-N 3.1Å; Y187-C268 HydrophobicContact CD2-CB 4.04Å; Y242-C268 WeakPolarHBondContact CD1-SG 3.44Å; Y242-C268 WeakPolarHBondContact CE1-SG 3.26Å; C268-W270 VanDerWaalsContact C-N 3.28Å; C268-W270 PolarHBondContact O-N 3.02Å; C268-L271 PolarHBondContact O-N 3.37Å; C268-M272 WeakPolarHBondContact O-CB 3.49Å; C268-M272 VanDerWaalsContact O-CG 3.28Å; C268-M272 WeakPolarHBondContact O-CG 3.36Å; C268-M272 PolarHBondContact O-N 3.4Å |
| 269 | D | 86.2 | Confident | 94.7 | Very high | 52 Ų | 52 | 48.3 Ų | 48.3 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.6 | -42.5 | 174.2 | 49.6 | -29.8 | 0 | 0 | 0 | 111.5 | Y242 P267 M272 S273 | Y242-D269 HydrophobicContact CD1-CB 3.78Å; Y242-D269 HydrophobicContact CE1-CB 4.47Å; P267-D269 WeakPolarHBondContact CB-OD1 3.43Å; P267-D269 PolarHBondContact O-N 2.65Å; D269-M272 PolarHBondContact O-N 2.94Å; D269-S273 PolarHBondContact O-N 2.88Å |
| 270 | W | 92.6 | Very high | 94.5 | Very high | 115 Ų | 115 | 54.5 Ų | 54.5 | 44% | 0.436 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.9 | -44.8 | 179.9 | -66.7 | 15.5 | 0 | 0 | 0 | 110.8 | Y170 M266 P267 C268 M272 S273 H274 | Y170-W270 HydrophobicContact CD1-CZ3 4.16Å; Y170-W270 AromaticContact CE1-CZ3 3.78Å; Y170-W270 HydrophobicContact CE1-CZ3 3.78Å; Y170-W270 HydrophobicContact CE2-CZ3 4.23Å; Y170-W270 AromaticContact CZ-CZ3 3.82Å; M266-W270 HydrophobicContact CB-CB 4.35Å; M266-W270 HydrophobicContact SD-CE3 4.42Å; P267-W270 PolarHBondContact O-N 3.35Å; C268-W270 VanDerWaalsContact C-N 3.28Å; C268-W270 PolarHBondContact O-N 3.02Å; W270-M272 VanDerWaalsContact C-N 3.33Å; W270-M272 PolarHBondContact O-N 3.45Å; W270-S273 WeakPolarHBondContact O-CB 3.17Å; W270-S273 PolarHBondContact O-N 3.29Å; W270-H274 PolarHBondContact O-CD2 2.94Å; W270-H274 PolarHBondContact O-N 2.98Å |
| 271 | L | 96.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.026 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 175.6 | -67.9 | 179.9 | 0 | 0 | 0 | 111.6 | F258 L259 F262 M266 P267 C268 S273 H274 F275 | F258-L271 HydrophobicContact CD1-CB 4.41Å; F258-L271 HydrophobicContact CE1-CB 3.9Å; F258-L271 HydrophobicContact CE1-CD2 4.06Å; F258-L271 VanDerWaalsContact CE1-O 3.26Å; F258-L271 WeakPolarHBondContact CE1-O 3.48Å; F258-L271 HydrophobicContact CZ-CD2 4.46Å; L259-L271 HydrophobicContact CD2-CB 3.65Å; L259-L271 HydrophobicContact CD2-CD1 4.06Å; F262-L271 HydrophobicContact CB-CD1 3.89Å; F262-L271 HydrophobicContact CB-CD2 3.62Å; F262-L271 HydrophobicContact CB-CG 4.44Å; F262-L271 HydrophobicContact CG-CD2 4.36Å; M266-L271 HydrophobicContact CB-CD2 3.93Å; M266-L271 HydrophobicContact CB-CG 4.06Å; M266-L271 HydrophobicContact CG-CD2 4.26Å; M266-L271 HydrophobicContact SD-CD2 4.47Å; P267-L271 PolarHBondContact O-N 3.44Å; P267-L271 VanDerWaalsContact O-N 3.13Å; C268-L271 PolarHBondContact O-N 3.37Å; L271-S273 PolarHBondContact O-N 3.31Å; L271-H274 PolarHBondContact O-N 3.48Å; L271-F275 WeakPolarHBondContact O-CB 3.37Å; L271-F275 PolarHBondContact O-N 3.48Å |
| 272 | M | 95.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 176.2 | -75.8 | -175.3 | -174.6 | 0 | 0 | 112.3 | Y187 I191 Q203 M234 Y247 L259 C268 D269 W270 F275 R276 | Y187-M272 HydrophobicContact CD2-CE 4.31Å; I191-M272 HydrophobicContact CD1-CE 4.03Å; Q203-M272 HydrophobicContact CG-CE 4.16Å; M234-M272 HydrophobicContact CE-CB 4.08Å; M234-M272 WeakPolarHBondContact CE-O 3.42Å; Y247-M272 WeakPolarHBondContact OH-CB 3.26Å; Y247-M272 WeakPolarHBondContact OH-CG 3.3Å; Y247-M272 PolarHBondContact OH-SD 3.09Å; L259-M272 HydrophobicContact CD1-CE 3.85Å; L259-M272 HydrophobicContact CD2-CG 4.28Å; C268-M272 WeakPolarHBondContact O-CB 3.49Å; C268-M272 VanDerWaalsContact O-CG 3.28Å; C268-M272 WeakPolarHBondContact O-CG 3.36Å; C268-M272 PolarHBondContact O-N 3.4Å; D269-M272 PolarHBondContact O-N 2.94Å; W270-M272 VanDerWaalsContact C-N 3.33Å; W270-M272 PolarHBondContact O-N 3.45Å; M272-F275 PolarHBondContact O-N 3.13Å; M272-R276 PolarHBondContact O-N 3.25Å; M272-R276 VanDerWaalsContact O-N 3.09Å |
| 273 | S | 93.9 | Very high | 93.9 | Very high | 34 Ų | 34 | 60.5 Ų | 60.5 | 24% | 0.238 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 173 | 175 | 0 | 0 | 0 | 0 | 112.3 | D269 W270 L271 R276 Q277 | D269-S273 PolarHBondContact O-N 2.88Å; W270-S273 WeakPolarHBondContact O-CB 3.17Å; W270-S273 PolarHBondContact O-N 3.29Å; L271-S273 PolarHBondContact O-N 3.31Å; S273-R276 WeakPolarHBondContact O-CB 3.39Å; S273-R276 PolarHBondContact O-N 3.15Å; S273-R276 PolarHBondContact OG-NH2 3.38Å; S273-Q277 WeakPolarHBondContact O-CG 3.31Å; S273-Q277 PolarHBondContact O-N 2.68Å |
| 274 | H | 96.5 | Very high | 93.7 | Very high | 73 Ų | 73 | 62.9 Ų | 62.9 | 34% | 0.338 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.6 | -40.3 | 175.7 | -75.6 | -59.1 | 0 | 0 | 0 | 112.3 | F258 W270 L271 R276 Q277 L278 | F258-H274 HydrophobicContact CZ-CB 4.37Å; W270-H274 PolarHBondContact O-CD2 2.94Å; W270-H274 PolarHBondContact O-N 2.98Å; L271-H274 PolarHBondContact O-N 3.48Å; H274-R276 VanDerWaalsContact C-N 3.34Å; H274-R276 PolarHBondContact O-N 3.3Å; H274-Q277 PolarHBondContact O-N 2.92Å; H274-L278 WeakPolarHBondContact O-CG 3.38Å; H274-L278 PolarHBondContact O-N 3.22Å |
| 275 | F | 97.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 2% | 0.022 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.2 | -47.3 | 174.9 | -178.6 | -94.6 | 0 | 0 | 0 | 111.2 | Y247 L254 L255 F258 L271 M272 Q277 L278 M279 | Y247-F275 HydrophobicContact CE1-CD1 4.29Å; L254-F275 HydrophobicContact CB-CE2 4.47Å; L254-F275 HydrophobicContact CD2-CE2 4.15Å; L254-F275 HydrophobicContact CD2-CZ 4.42Å; L254-F275 HydrophobicContact CG-CE2 4.02Å; L255-F275 HydrophobicContact CB-CE1 4.17Å; L255-F275 HydrophobicContact CB-CE2 4.16Å; L255-F275 HydrophobicContact CB-CZ 3.93Å; L255-F275 HydrophobicContact CD1-CB 4.11Å; L255-F275 HydrophobicContact CD1-CD1 3.81Å; L255-F275 HydrophobicContact CD1-CD2 4.01Å; L255-F275 HydrophobicContact CD1-CE1 4.21Å; L255-F275 HydrophobicContact CD1-CE2 4.4Å; L255-F275 HydrophobicContact CD1-CG 3.7Å; L255-F275 HydrophobicContact CD1-CZ 4.49Å; F258-F275 HydrophobicContact CB-CD2 4.07Å; F258-F275 HydrophobicContact CB-CE2 4.5Å; F258-F275 HydrophobicContact CD1-CB 4.06Å; F258-F275 HydrophobicContact CD1-CD2 4.15Å; F258-F275 HydrophobicContact CD2-CD2 4.45Å; F258-F275 HydrophobicContact CE1-CB 4.1Å; F258-F275 AromaticContact CG-CD2 3.96Å; F258-F275 HydrophobicContact CG-CD2 3.96Å; L271-F275 WeakPolarHBondContact O-CB 3.37Å; L271-F275 PolarHBondContact O-N 3.48Å; M272-F275 PolarHBondContact O-N 3.13Å; F275-Q277 VanDerWaalsContact C-N 3.31Å; F275-Q277 PolarHBondContact O-N 3.15Å; F275-L278 PolarHBondContact O-N 3.32Å; F275-M279 HydrophobicContact CD1-CG 4.04Å; F275-M279 HydrophobicContact CE1-CG 3.67Å; F275-M279 HydrophobicContact CE2-CG 4.26Å; F275-M279 HydrophobicContact CE2-SD 4.45Å; F275-M279 HydrophobicContact CG-CG 4.5Å; F275-M279 HydrophobicContact CZ-CG 3.79Å; F275-M279 HydrophobicContact CZ-SD 4.09Å; F275-M279 WeakPolarHBondContact O-CB 3.47Å; F275-M279 VanDerWaalsContact O-CG 3.28Å; F275-M279 WeakPolarHBondContact O-CG 3.34Å; F275-M279 PolarHBondContact O-N 3.21Å |
| 276 | R | 96.4 | Very high | 93.6 | Very high | 19 Ų | 19 | 62.4 Ų | 62.4 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55 | -45.6 | 175.1 | -176.2 | -169.5 | 70.3 | -129.7 | -8.3 | 112.1 | M234 E236 M272 S273 H274 M279 Q281 T284 | M234-R276 HydrophobicContact CB-CB 4.33Å; M234-R276 HydrophobicContact CB-CG 3.99Å; M234-R276 HydrophobicContact CE-CB 3.91Å; E236-R276 IonicContact OE1-CZ 3.13Å; E236-R276 IonicContact OE1-NH1 2.96Å; E236-R276 PolarHBondContact OE1-NH1 2.97Å; M272-R276 PolarHBondContact O-N 3.25Å; M272-R276 VanDerWaalsContact O-N 3.09Å; S273-R276 WeakPolarHBondContact O-CB 3.39Å; S273-R276 PolarHBondContact O-N 3.15Å; S273-R276 PolarHBondContact OG-NH2 3.38Å; H274-R276 VanDerWaalsContact C-N 3.34Å; H274-R276 PolarHBondContact O-N 3.3Å; R276-M279 CarbonylContact O-C 3.57Å; R276-M279 PolarHBondContact O-N 2.68Å; R276-Q281 CarbonylContact C-O 3.51Å; R276-Q281 HydrophobicContact CG-CB 3.85Å; R276-Q281 HydrophobicContact CG-CG 3.9Å; R276-Q281 WeakPolarHBondContact CG-O 3.22Å; R276-Q281 PolarHBondContact O-N 2.67Å; R276-Q281 VanDerWaalsContact O-N 3.09Å; R276-T284 VanDerWaalsContact CZ-OG1 3.31Å; R276-T284 PolarHBondContact NH1-OG1 2.83Å; R276-T284 VanDerWaalsContact NH1-OG1 3.13Å |
| 277 | Q | 96.4 | Very high | 93.5 | Very high | 92 Ų | 92 | 60.7 Ų | 60.7 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 178.4 | -67.1 | 175.5 | 33.5 | 0 | 0 | 112.4 | S273 H274 F275 M279 T280 | S273-Q277 WeakPolarHBondContact O-CG 3.31Å; S273-Q277 PolarHBondContact O-N 2.68Å; H274-Q277 PolarHBondContact O-N 2.92Å; F275-Q277 VanDerWaalsContact C-N 3.31Å; F275-Q277 PolarHBondContact O-N 3.15Å; Q277-M279 VanDerWaalsContact C-N 3.27Å; Q277-M279 PolarHBondContact O-N 3.25Å; Q277-T280 WeakPolarHBondContact O-CA 3.11Å; Q277-T280 PolarHBondContact O-N 2.88Å |
| 278 | L | 96.2 | Very high | 92.9 | Very high | 122 Ų | 122 | 63.8 Ų | 63.8 | 64% | 0.639 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.7 | -34.2 | 176.5 | -71.7 | 172.6 | 0 | 0 | 0 | 111.9 | F258 H274 F275 T280 | F258-L278 HydrophobicContact CE2-CD1 3.65Å; F258-L278 HydrophobicContact CZ-CD1 4.01Å; H274-L278 WeakPolarHBondContact O-CG 3.38Å; H274-L278 PolarHBondContact O-N 3.22Å; F275-L278 PolarHBondContact O-N 3.32Å; L278-T280 PolarHBondContact O-N 3.23Å; L278-T280 VanDerWaalsContact O-N 3.08Å |
| 279 | M | 95.3 | Very high | 92.4 | Very high | 61 Ų | 61 | 66 Ų | 66 | 30% | 0.3 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 21 | 170.6 | -61.4 | -62.3 | -74.4 | 0 | 0 | 113 | A233 L254 F275 R276 Q277 Q281 | A233-M279 HydrophobicContact CB-CB 3.37Å; A233-M279 HydrophobicContact CB-CG 4.12Å; L254-M279 HydrophobicContact CD2-SD 4.27Å; F275-M279 HydrophobicContact CD1-CG 4.04Å; F275-M279 HydrophobicContact CE1-CG 3.67Å; F275-M279 HydrophobicContact CE2-CG 4.26Å; F275-M279 HydrophobicContact CE2-SD 4.45Å; F275-M279 HydrophobicContact CG-CG 4.5Å; F275-M279 HydrophobicContact CZ-CG 3.79Å; F275-M279 HydrophobicContact CZ-SD 4.09Å; F275-M279 WeakPolarHBondContact O-CB 3.47Å; F275-M279 VanDerWaalsContact O-CG 3.28Å; F275-M279 WeakPolarHBondContact O-CG 3.34Å; F275-M279 PolarHBondContact O-N 3.21Å; R276-M279 CarbonylContact O-C 3.57Å; R276-M279 PolarHBondContact O-N 2.68Å; Q277-M279 VanDerWaalsContact C-N 3.27Å; Q277-M279 PolarHBondContact O-N 3.25Å; M279-Q281 PolarHBondContact O-N 3.28Å |
| 280 | T | 94.6 | Very high | 92.4 | Very high | 129 Ų | 129 | 63.5 Ų | 63.5 | 79% | 0.791 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 12.7 | 174.1 | 68.7 | 0 | 0 | 0 | 0 | 115.8 | Q277 L278 | Q277-T280 WeakPolarHBondContact O-CA 3.11Å; Q277-T280 PolarHBondContact O-N 2.88Å; L278-T280 PolarHBondContact O-N 3.23Å; L278-T280 VanDerWaalsContact O-N 3.08Å |
| 281 | Q | 95.8 | Very high | 92.3 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.065 | 29% | 0.289 | C | S | . | . | trans | -97.5 | 95.1 | 171.6 | -178.4 | -174.7 | -29.9 | 0 | 0 | 109.5 | A233 M234 R276 M279 E283 | A233-Q281 HydrophobicContact CB-CB 4.28Å; M234-Q281 PolarHBondContact O-NE2 2.91Å; M234-Q281 PolarHBondContact O-OE1 3.36Å; R276-Q281 CarbonylContact C-O 3.51Å; R276-Q281 HydrophobicContact CG-CB 3.85Å; R276-Q281 HydrophobicContact CG-CG 3.9Å; R276-Q281 WeakPolarHBondContact CG-O 3.22Å; R276-Q281 PolarHBondContact O-N 2.67Å; R276-Q281 VanDerWaalsContact O-N 3.09Å; M279-Q281 PolarHBondContact O-N 3.28Å; Q281-E283 VanDerWaalsContact CG-O 3.32Å; Q281-E283 WeakPolarHBondContact CG-O 3.37Å; Q281-E283 PolarHBondContact NE2-O 2.84Å; Q281-E283 VanDerWaalsContact NE2-O 3.1Å | ||
| 282 | R | 90.8 | Very high | 92.1 | Very high | 212 Ų | 212 | 58.2 Ų | 58.2 | 80% | 0.8 | 29% | 0.288 | S | S | * | . | trans | -70.3 | -49.9 | 179.3 | -66.6 | -176.5 | -179.5 | 177.6 | 0.1 | 111.9 | ||||
| 283 | E | 91.3 | Very high | 91.6 | Very high | 148 Ų | 148 | 59.1 Ų | 59.1 | 69% | 0.692 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -80.9 | 141.7 | -176.3 | -60.2 | -54.5 | 141.7 | 0 | 0 | 112.1 | Q281 | Q281-E283 VanDerWaalsContact CG-O 3.32Å; Q281-E283 WeakPolarHBondContact CG-O 3.37Å; Q281-E283 PolarHBondContact NE2-O 2.84Å; Q281-E283 VanDerWaalsContact NE2-O 3.1Å |
| 284 | T | 92.4 | Very high | 91 | Very high | 64 Ų | 64 | 58.2 Ų | 58.2 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | trans | -71.5 | 132.6 | 168.5 | -77.2 | 0 | 0 | 0 | 0 | 109.6 | E236 R276 L286 | E236-T284 HydrophobicContact CG-CG2 4.15Å; E236-T284 WeakPolarHBondContact OE1-CG2 3.37Å; E236-T284 PolarHBondContact OE1-OG1 3.25Å; E236-T284 VanDerWaalsContact OE1-OG1 3.13Å; R276-T284 VanDerWaalsContact CZ-OG1 3.31Å; R276-T284 PolarHBondContact NH1-OG1 2.83Å; R276-T284 VanDerWaalsContact NH1-OG1 3.13Å; T284-L286 HydrophobicContact CG2-CB 3.81Å | ||
| 285 | I | 94.8 | Very high | 90.2 | Very high | 43 Ų | 43 | 57.5 Ų | 57.5 | 22% | 0.221 | 28% | 0.282 | C | S | . | . | trans | -105.2 | 85.6 | 171.3 | -55.4 | 171.6 | 0 | 0 | 0 | 107.1 | W232 L235 E236 F287 | W232-I285 HydrophobicContact CB-CD1 4.03Å; L235-I285 HydrophobicContact CD2-CB 3.85Å; L235-I285 HydrophobicContact CD2-CD1 3.99Å; L235-I285 HydrophobicContact CD2-CG2 3.67Å; E236-I285 PolarHBondContact N-O 2.82Å; I285-F287 HydrophobicContact CG2-CE2 4.11Å; I285-F287 HydrophobicContact CG2-CZ 4.01Å | ||
| 286 | L | 91.8 | Very high | 88.5 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -96.3 | 126.2 | 178.5 | 173.5 | 67.3 | 0 | 0 | 0 | 109.9 | E236 A239 T284 | E236-L286 HydrophobicContact CB-CB 4.42Å; E236-L286 HydrophobicContact CB-CD1 4Å; E236-L286 WeakPolarHBondContact O-CA 3.48Å; A239-L286 HydrophobicContact CB-CD1 4.48Å; A239-L286 HydrophobicContact CB-CD2 4.02Å; T284-L286 HydrophobicContact CG2-CB 3.81Å |
| 287 | F | 87.6 | Confident | 86.2 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | trans | -92.3 | 141.7 | 173.4 | -64.5 | -77.8 | 0 | 0 | 0 | 111.5 | H221 Q225 L235 E236 F237 I285 | H221-F287 HydrophobicContact CB-CD1 4.04Å; H221-F287 HydrophobicContact CB-CD2 4.38Å; H221-F287 HydrophobicContact CB-CE1 3.67Å; H221-F287 HydrophobicContact CB-CE2 4.04Å; H221-F287 HydrophobicContact CB-CG 4.36Å; H221-F287 HydrophobicContact CB-CZ 3.66Å; H221-F287 AromaticContact CD2-CD1 3.79Å; H221-F287 AromaticContact CD2-CG 3.95Å; H221-F287 AromaticContact CE1-CD1 3.65Å; H221-F287 AromaticContact CG-CD1 3.49Å; H221-F287 VanDerWaalsContact CG-CD1 3.49Å; H221-F287 AromaticContact CG-CE1 3.53Å; H221-F287 AromaticContact CG-CG 3.97Å; H221-F287 AromaticContact ND1-CD1 3.43Å; H221-F287 WeakPolarHBondContact ND1-CD1 3.26Å; H221-F287 AromaticContact ND1-CE1 3.41Å; H221-F287 WeakPolarHBondContact ND1-CE1 3.25Å; H221-F287 AromaticContact NE2-CD1 3.88Å; Q225-F287 HydrophobicContact CG-CE1 4.38Å; Q225-F287 HydrophobicContact CG-CZ 3.59Å; Q225-F287 VanDerWaalsContact NE2-CZ 3.35Å; L235-F287 HydrophobicContact CB-CE2 3.98Å; L235-F287 HydrophobicContact CD1-CE2 4.03Å; L235-F287 HydrophobicContact CD1-CZ 4.43Å; L235-F287 HydrophobicContact CD2-CE2 4.04Å; L235-F287 HydrophobicContact CD2-CZ 4.41Å; L235-F287 HydrophobicContact CG-CE2 4.21Å; E236-F287 PolarHBondContact O-N 2.87Å; F237-F287 HydrophobicContact CD1-CB 4.07Å; F237-F287 HydrophobicContact CD1-CD2 4.03Å; F237-F287 HydrophobicContact CD1-CG 4.38Å; F237-F287 HydrophobicContact CE1-CB 4.16Å; F237-F287 AromaticContact CE1-CD2 3.56Å; F237-F287 HydrophobicContact CE1-CD2 3.56Å; F237-F287 HydrophobicContact CE1-CE2 4.21Å; F237-F287 HydrophobicContact CE1-CG 4.01Å; F237-F287 HydrophobicContact CE2-CD2 4.42Å; F237-F287 AromaticContact CZ-CD2 3.78Å; F237-F287 HydrophobicContact CZ-CD2 3.78Å; F237-F287 HydrophobicContact CZ-CE2 4.02Å; I285-F287 HydrophobicContact CG2-CE2 4.11Å; I285-F287 HydrophobicContact CG2-CZ 4.01Å | ||
| 288 | K | 78.3 | Confident | 84.5 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 39% | 0.391 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -124.8 | 146.3 | 175.1 | -58 | 175.9 | -177.1 | 177.6 | 0 | 110.4 | N312 E345 | K288-N312 HydrophobicContact CB-CB 4.48Å; K288-N312 HydrophobicContact CD-CB 4.32Å; K288-N312 HydrophobicContact CG-CB 4.07Å; K288-E345 WeakPolarHBondContact CA-OE1 3.47Å; K288-E345 HydrophobicContact CB-CG 3.98Å; K288-E345 VanDerWaalsContact CB-OE1 3.31Å; K288-E345 WeakPolarHBondContact CB-OE1 3.34Å; K288-E345 PolarHBondContact N-OE1 2.71Å; K288-E345 WeakPolarHBondContact O-CG 3.28Å |
| 289 | P | 80.9 | Confident | 82.6 | Confident | 45 Ų | 45 | 52.7 Ų | 52.7 | 29% | 0.292 | 26% | 0.264 | S | S | . | . | S | Bend | cis | -64.8 | 154.5 | -5.9 | 30.4 | -35.7 | 0 | 0 | 0 | 111.9 | N312 E314 | P289-N312 CarbonylContact C-O 3.58Å; P289-N312 VanDerWaalsContact CA-O 3.25Å; P289-N312 WeakPolarHBondContact CA-O 3.48Å; P289-N312 WeakPolarHBondContact CB-O 3.2Å; P289-E314 HydrophobicContact CB-CB 4.35Å; P289-E314 HydrophobicContact CB-CG 3.97Å |
| 290 | S | 86.4 | Confident | 81.2 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -62.7 | 141.4 | 174.8 | -65.4 | 0 | 0 | 0 | 0 | 109.1 | F237 D310 N312 F313 | F237-S290 CarbonylContact O-C 3.51Å; F237-S290 WeakPolarHBondContact O-CA 3.49Å; F237-S290 WeakPolarHBondContact O-CB 3.41Å; S290-D310 VanDerWaalsContact CB-OD2 3.28Å; S290-D310 WeakPolarHBondContact CB-OD2 2.84Å; S290-D310 PolarHBondContact OG-OD1 3.11Å; S290-D310 VanDerWaalsContact OG-OD1 3.08Å; S290-D310 PolarHBondContact OG-OD2 3.49Å; S290-N312 PolarHBondContact N-O 2.8Å; S290-F313 WeakPolarHBondContact O-CD2 3.42Å |
| 291 | L | 90.1 | Very high | 79.9 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -92.1 | -8.2 | -179.3 | -59 | -178.9 | 0 | 0 | 0 | 113 | S210 A211 F214 T217 I218 F237 | S210-L291 CarbonylContact C-O 3.47Å; S210-L291 WeakPolarHBondContact CA-O 3.46Å; A211-L291 HydrophobicContact CB-CB 4.35Å; A211-L291 HydrophobicContact CB-CD2 4.09Å; A211-L291 WeakPolarHBondContact CB-O 3.44Å; A211-L291 PolarHBondContact N-O 3.16Å; F214-L291 HydrophobicContact CB-CB 4.22Å; F214-L291 HydrophobicContact CB-CD1 4.17Å; T217-L291 HydrophobicContact CG2-CD1 4.06Å; T217-L291 HydrophobicContact CG2-CD2 3.96Å; I218-L291 HydrophobicContact CD1-CD1 4.35Å; I218-L291 HydrophobicContact CG1-CD1 3.68Å; F237-L291 HydrophobicContact CB-CB 4.26Å; F237-L291 HydrophobicContact CB-CD1 4.23Å; F237-L291 HydrophobicContact CB-CG 4.3Å; F237-L291 HydrophobicContact CD1-CD1 3.44Å; F237-L291 VanDerWaalsContact CD1-CD1 3.44Å; F237-L291 HydrophobicContact CD1-CG 4.04Å; F237-L291 HydrophobicContact CE1-CD1 4.08Å; F237-L291 HydrophobicContact CG-CD1 4.05Å; F237-L291 PolarHBondContact O-N 3.3Å |
| 292 | F | 92.3 | Very high | 78.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138 | -174.1 | -58.4 | -71.6 | 0 | 0 | 0 | 111.1 | L104 L202 L204 V208 F209 F214 I218 F237 I243 F313 | L104-F292 HydrophobicContact CD2-CE1 4.2Å; L202-F292 HydrophobicContact CD1-CE2 4.32Å; L202-F292 HydrophobicContact CD2-CE1 4.27Å; L202-F292 HydrophobicContact CD2-CE2 3.66Å; L202-F292 HydrophobicContact CD2-CZ 3.4Å; L202-F292 VanDerWaalsContact CD2-CZ 3.4Å; L204-F292 HydrophobicContact CD1-CD1 4.18Å; L204-F292 HydrophobicContact CD1-CE1 3.95Å; L204-F292 HydrophobicContact CD2-CB 4.4Å; L204-F292 HydrophobicContact CD2-CD1 3.75Å; L204-F292 HydrophobicContact CD2-CD2 4Å; L204-F292 HydrophobicContact CD2-CE1 4.01Å; L204-F292 HydrophobicContact CD2-CE2 4.24Å; L204-F292 HydrophobicContact CD2-CG 3.75Å; L204-F292 HydrophobicContact CD2-CZ 4.26Å; V208-F292 HydrophobicContact CG1-CB 3.68Å; V208-F292 HydrophobicContact CG1-CD1 3.9Å; V208-F292 HydrophobicContact CG1-CG 4.21Å; F209-F292 WeakPolarHBondContact O-CA 3.15Å; F214-F292 HydrophobicContact CB-CZ 4.28Å; F214-F292 HydrophobicContact CD2-CE1 4.1Å; F214-F292 AromaticContact CD2-CZ 3.62Å; F214-F292 HydrophobicContact CD2-CZ 3.62Å; F214-F292 HydrophobicContact CE2-CE1 4.48Å; F214-F292 HydrophobicContact CE2-CZ 4.17Å; F214-F292 HydrophobicContact CG-CE1 4.17Å; F214-F292 HydrophobicContact CG-CZ 4.01Å; I218-F292 HydrophobicContact CD1-CE2 4.36Å; I218-F292 HydrophobicContact CD1-CZ 4.32Å; F237-F292 HydrophobicContact CB-CD2 4Å; F237-F292 HydrophobicContact CB-CE2 3.95Å; I243-F292 HydrophobicContact CG2-CB 3.63Å; I243-F292 HydrophobicContact CG2-CG 4.44Å; F292-F313 VanDerWaalsContact C-CD2 3.48Å |
| 293 | Q | 85.3 | Confident | 76.5 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 10% | 0.103 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 128.2 | -178.9 | 172.6 | 57.3 | 55 | 0 | 0 | 111 | V208 F209 M295 K309 D310 F313 | V208-Q293 CarbonylContact C-O 3.55Å; V208-Q293 WeakPolarHBondContact CA-O 3.37Å; F209-Q293 PolarHBondContact N-O 3.4Å; F209-Q293 PolarHBondContact O-N 2.97Å; Q293-M295 PolarHBondContact O-N 2.84Å; Q293-K309 VanDerWaalsContact NE2-CA 3.29Å; Q293-D310 PolarHBondContact OE1-O 3Å; Q293-F313 HydrophobicContact CB-CB 4.06Å; Q293-F313 HydrophobicContact CB-CD1 3.32Å; Q293-F313 HydrophobicContact CB-CD2 3.6Å; Q293-F313 HydrophobicContact CB-CE1 3.51Å; Q293-F313 HydrophobicContact CB-CE2 3.8Å; Q293-F313 HydrophobicContact CB-CG 3.38Å; Q293-F313 HydrophobicContact CB-CZ 3.78Å; Q293-F313 HydrophobicContact CG-CD1 3.69Å; Q293-F313 HydrophobicContact CG-CE1 4.02Å; Q293-F313 HydrophobicContact CG-CG 4.1Å |
| 294 | H | 80.9 | Confident | 74.7 | Confident | 14 Ų | 14 | 37 Ų | 37 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 122.5 | 172.6 | -176.8 | -91 | 0 | 0 | 0 | 110.3 | D207 L240 I243 G296 N306 | D207-H294 IonicContact OD1-CD2 3.89Å; D207-H294 PolarHBondContact OD1-CD2 2.87Å; D207-H294 VanDerWaalsContact OD1-CD2 3.3Å; D207-H294 IonicContact OD1-NE2 3.02Å; D207-H294 IonicContact OD2-CD2 3.26Å; D207-H294 IonicContact OD2-NE2 3.62Å; D207-H294 PolarHBondContact OD2-NE2 2.82Å; L240-H294 HydrophobicContact CD1-CB 3.74Å; I243-H294 HydrophobicContact CD1-CB 3.97Å; H294-G296 PolarHBondContact CE1-O 3.02Å; H294-G296 PolarHBondContact ND1-O 3.18Å; H294-N306 PolarHBondContact CE1-ND2 2.81Å; H294-N306 VanDerWaalsContact CE1-ND2 3.28Å |
| 295 | M | 79.8 | Confident | 72.5 | Confident | 58 Ų | 58 | 40.5 Ų | 40.5 | 29% | 0.286 | 20% | 0.204 | S | C | . | . | trans | -110.4 | -6.2 | 178.8 | 65 | 173.6 | -172.5 | 0 | 0 | 113 | P99 T100 D207 F209 Q293 T297 | P99-M295 HydrophobicContact CB-CE 3.55Å; T100-M295 VanDerWaalsContact OG1-CE 3.26Å; T100-M295 WeakPolarHBondContact OG1-CE 3.32Å; D207-M295 VanDerWaalsContact O-CG 3.32Å; D207-M295 WeakPolarHBondContact O-CG 3.34Å; D207-M295 PolarHBondContact O-N 3.19Å; F209-M295 HydrophobicContact CB-SD 4.26Å; Q293-M295 PolarHBondContact O-N 2.84Å; M295-T297 PolarHBondContact O-N 2.87Å | ||
| 296 | G | 61.1 | Low | 70.4 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | trans | -61.9 | 118.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D207 H294 | D207-G296 PolarHBondContact O-N 3.16Å; H294-G296 PolarHBondContact CE1-O 3.02Å; H294-G296 PolarHBondContact ND1-O 3.18Å | ||
| 297 | T | 48.6 | Very low | 68.6 | Low | 57 Ų | 57 | 45.9 Ų | 45.9 | 35% | 0.35 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -86.6 | -19.1 | 172.8 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | Y96 M295 Y305 N306 | Y96-T297 PolarHBondContact OH-N 2.9Å; Y96-T297 PolarHBondContact OH-OG1 2.76Å; M295-T297 PolarHBondContact O-N 2.87Å; T297-Y305 CarbonylContact O-C 3.56Å; T297-Y305 VanDerWaalsContact O-CA 3.29Å; T297-Y305 WeakPolarHBondContact O-CA 3.33Å; T297-Y305 WeakPolarHBondContact O-CD2 3.48Å; T297-N306 PolarHBondContact O-N 3.36Å |
| 298 | F | 59.6 | Low | 66.9 | Low | 50 Ų | 50 | 50.4 Ų | 50.4 | 22% | 0.219 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -129.9 | 126.3 | 178.2 | -60.2 | -74.8 | 0 | 0 | 0 | 111.5 | K93 Y96 G303 I304 Y305 | K93-F298 HydrophobicContact CB-CB 4.34Å; K93-F298 HydrophobicContact CB-CD2 4.1Å; K93-F298 HydrophobicContact CB-CG 4.22Å; K93-F298 HydrophobicContact CD-CB 4.43Å; K93-F298 HydrophobicContact CD-CD1 3.66Å; K93-F298 HydrophobicContact CD-CD2 3.92Å; K93-F298 HydrophobicContact CD-CE1 3.78Å; K93-F298 HydrophobicContact CD-CE2 4.04Å; K93-F298 HydrophobicContact CD-CG 3.73Å; K93-F298 HydrophobicContact CD-CZ 3.97Å; Y96-F298 PolarHBondContact OH-N 3.26Å; F298-G303 WeakPolarHBondContact CD1-O 3.29Å; F298-I304 CarbonylContact C-O 3.49Å; F298-I304 WeakPolarHBondContact CA-O 3.34Å; F298-Y305 HydrophobicContact CD1-CD2 4.21Å; F298-Y305 AromaticContact CE1-CD2 3.71Å; F298-Y305 HydrophobicContact CE1-CD2 3.71Å; F298-Y305 HydrophobicContact CZ-CD2 4.08Å |
| 299 | S | 57.8 | Low | 65.5 | Low | 28 Ų | 28 | 53.7 Ų | 53.7 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | trans | -62.3 | 143.8 | 177.2 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | F301 G303 I304 | S299-F301 PolarHBondContact O-N 3.16Å; S299-F301 PolarHBondContact OG-N 3.14Å; S299-F301 VanDerWaalsContact OG-N 3.1Å; S299-G303 WeakPolarHBondContact O-CA 3.26Å; S299-G303 PolarHBondContact O-N 2.75Å; S299-I304 PolarHBondContact N-O 2.96Å | ||
| 300 | S | 66 | Low | 64 | Low | 25 Ų | 25 | 51.9 Ų | 51.9 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.9 | 166.8 | 48 | 0 | 0 | 0 | 0 | 112.4 | F179 Q302 | F179-S300 WeakPolarHBondContact CZ-OG 3.35Å; S300-Q302 PolarHBondContact O-N 3.05Å |
| 301 | F | 66.7 | Low | 61.8 | Low | 19 Ų | 19 | 59.9 Ų | 59.9 | 8% | 0.083 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 107.2 | 168.5 | -172.6 | -108.3 | 0 | 0 | 0 | 110.8 | D175 R176 F179 S299 G303 I304 | D175-F301 HydrophobicContact CB-CE2 4.42Å; D175-F301 HydrophobicContact CB-CZ 4.5Å; D175-F301 WeakPolarHBondContact OD2-CZ 2.99Å; R176-F301 VanDerWaalsContact CA-CZ 3.47Å; R176-F301 HydrophobicContact CB-CE1 4.1Å; R176-F301 HydrophobicContact CB-CE2 4.21Å; R176-F301 HydrophobicContact CB-CZ 3.62Å; R176-F301 HydrophobicContact CG-CE1 4.41Å; R176-F301 HydrophobicContact CG-CZ 4.33Å; F179-F301 HydrophobicContact CB-CD2 3.49Å; F179-F301 VanDerWaalsContact CB-CD2 3.49Å; F179-F301 HydrophobicContact CB-CE2 3.75Å; F179-F301 HydrophobicContact CD1-CB 3.95Å; F179-F301 AromaticContact CD1-CD2 3.86Å; F179-F301 HydrophobicContact CD1-CD2 3.86Å; F179-F301 HydrophobicContact CD1-CG 4.17Å; F179-F301 HydrophobicContact CD2-CB 4.23Å; F179-F301 AromaticContact CD2-CD2 3.72Å; F179-F301 HydrophobicContact CD2-CD2 3.72Å; F179-F301 HydrophobicContact CD2-CG 4.46Å; F179-F301 HydrophobicContact CE1-CB 3.87Å; F179-F301 HydrophobicContact CE2-CB 4.13Å; F179-F301 HydrophobicContact CE2-CD2 4.44Å; F179-F301 HydrophobicContact CG-CB 4.15Å; F179-F301 AromaticContact CG-CD2 3.39Å; F179-F301 HydrophobicContact CG-CD2 3.39Å; F179-F301 HydrophobicContact CG-CE2 4.18Å; F179-F301 HydrophobicContact CG-CG 4.13Å; F179-F301 HydrophobicContact CZ-CB 3.96Å; S299-F301 PolarHBondContact O-N 3.16Å; S299-F301 PolarHBondContact OG-N 3.14Å; S299-F301 VanDerWaalsContact OG-N 3.1Å; F301-G303 PolarHBondContact O-N 3.38Å; F301-I304 HydrophobicContact CD1-CD1 4.25Å; F301-I304 PolarHBondContact O-N 3.25Å |
| 302 | Q | 67.8 | Low | 60.1 | Low | 93 Ų | 93 | 60.6 Ų | 60.6 | 44% | 0.435 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 1 | 174.4 | -58.9 | -174 | -21.8 | 0 | 0 | 117.2 | D175 S300 I304 | D175-Q302 PolarHBondContact OD2-NE2 3Å; S300-Q302 PolarHBondContact O-N 3.05Å; Q302-I304 HydrophobicContact CB-CG1 4.29Å |
| 303 | G | 47.2 | Very low | 58 | Low | 10 Ų | 10 | 61.9 Ų | 61.9 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 27.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F298 S299 F301 | F298-G303 WeakPolarHBondContact CD1-O 3.29Å; S299-G303 WeakPolarHBondContact O-CA 3.26Å; S299-G303 PolarHBondContact O-N 2.75Å; F301-G303 PolarHBondContact O-N 3.38Å |
| 304 | I | 54 | Low | 56.6 | Low | 88 Ų | 88 | 62.2 Ų | 62.2 | 45% | 0.451 | 30% | 0.302 | S | S | . | . | trans | -66.2 | 136.3 | 176.6 | -61.4 | 174.6 | 0 | 0 | 0 | 109.4 | F298 S299 F301 Q302 N306 | F298-I304 CarbonylContact C-O 3.49Å; F298-I304 WeakPolarHBondContact CA-O 3.34Å; S299-I304 PolarHBondContact N-O 2.96Å; F301-I304 HydrophobicContact CD1-CD1 4.25Å; F301-I304 PolarHBondContact O-N 3.25Å; Q302-I304 HydrophobicContact CB-CG1 4.29Å; I304-N306 PolarHBondContact O-N 3.42Å | ||
| 305 | Y | 45.9 | Very low | 54.9 | Low | 137 Ų | 137 | 68.1 Ų | 68.1 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -66.3 | 126.9 | 179.7 | -170 | -97.9 | 0 | 0 | 0 | 110.9 | T297 F298 K307 | T297-Y305 CarbonylContact O-C 3.56Å; T297-Y305 VanDerWaalsContact O-CA 3.29Å; T297-Y305 WeakPolarHBondContact O-CA 3.33Å; T297-Y305 WeakPolarHBondContact O-CD2 3.48Å; F298-Y305 HydrophobicContact CD1-CD2 4.21Å; F298-Y305 AromaticContact CE1-CD2 3.71Å; F298-Y305 HydrophobicContact CE1-CD2 3.71Å; F298-Y305 HydrophobicContact CZ-CD2 4.08Å; Y305-K307 HydrophobicContact CD1-CG 3.95Å; Y305-K307 HydrophobicContact CE1-CD 4.01Å; Y305-K307 VanDerWaalsContact CE1-CE 3.42Å; Y305-K307 HydrophobicContact CE1-CG 3.39Å |
| 306 | N | 49.4 | Very low | 53.5 | Low | 38 Ų | 38 | 66.7 Ų | 66.7 | 20% | 0.203 | 33% | 0.33 | C | S | . | . | trans | -116.2 | 130.1 | -177.8 | -167.6 | -2 | 0 | 0 | 0 | 110.1 | H294 T297 I304 L308 | H294-N306 PolarHBondContact CE1-ND2 2.81Å; H294-N306 VanDerWaalsContact CE1-ND2 3.28Å; T297-N306 PolarHBondContact O-N 3.36Å; I304-N306 PolarHBondContact O-N 3.42Å; N306-L308 WeakPolarHBondContact OD1-CB 3.49Å; N306-L308 WeakPolarHBondContact OD1-CG 3.32Å; N306-L308 PolarHBondContact OD1-N 3.31Å | ||
| 307 | K | 54.5 | Low | 52.7 | Low | 164 Ų | 164 | 71 Ų | 71 | 71% | 0.713 | 35% | 0.352 | S | S | * | . | trans | -111.8 | 7.7 | 176.1 | -70.7 | -170.6 | 179.2 | -178.7 | 0 | 113.1 | Y305 K309 | Y305-K307 HydrophobicContact CD1-CG 3.95Å; Y305-K307 HydrophobicContact CE1-CD 4.01Å; Y305-K307 VanDerWaalsContact CE1-CE 3.42Å; Y305-K307 HydrophobicContact CE1-CG 3.39Å; K307-K309 PolarHBondContact O-N 2.83Å; K307-K309 VanDerWaalsContact O-N 3.16Å | ||
| 308 | L | 51.8 | Low | 53.2 | Low | 108 Ų | 108 | 71.7 Ų | 71.7 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | trans | -59.8 | 122.4 | -177.9 | -71.9 | 172.1 | 0 | 0 | 0 | 110 | N306 | N306-L308 WeakPolarHBondContact OD1-CB 3.49Å; N306-L308 WeakPolarHBondContact OD1-CG 3.32Å; N306-L308 PolarHBondContact OD1-N 3.31Å | ||
| 309 | K | 48.5 | Very low | 53.6 | Low | 158 Ų | 158 | 74.7 Ų | 74.7 | 69% | 0.687 | 37% | 0.372 | S | S | * | . | trans | -129.2 | 148.1 | 171.4 | -64.1 | -165.7 | 172.7 | -168.6 | 0 | 110.4 | Q293 K307 M311 | Q293-K309 VanDerWaalsContact NE2-CA 3.29Å; K307-K309 PolarHBondContact O-N 2.83Å; K307-K309 VanDerWaalsContact O-N 3.16Å; K309-M311 PolarHBondContact O-N 3.1Å | ||
| 310 | D | 49.3 | Very low | 55 | Low | 7 Ų | 7 | 74.2 Ų | 74.2 | 4% | 0.037 | 37% | 0.367 | C | S | . | . | trans | -83.9 | 116.2 | 174.5 | -167 | -35.5 | 0 | 0 | 0 | 108.1 | S238 A239 L240 S290 Q293 N312 F313 | S238-D310 VanDerWaalsContact CA-OD2 3.31Å; S238-D310 WeakPolarHBondContact CA-OD2 3.42Å; S238-D310 WeakPolarHBondContact CB-OD2 3.11Å; S238-D310 PolarHBondContact OG-OD2 3.18Å; A239-D310 PolarHBondContact N-OD2 3.28Å; L240-D310 HydrophobicContact CD1-CB 3.89Å; L240-D310 HydrophobicContact CG-CB 3.9Å; S290-D310 VanDerWaalsContact CB-OD2 3.28Å; S290-D310 WeakPolarHBondContact CB-OD2 2.84Å; S290-D310 PolarHBondContact OG-OD1 3.11Å; S290-D310 VanDerWaalsContact OG-OD1 3.08Å; S290-D310 PolarHBondContact OG-OD2 3.49Å; Q293-D310 PolarHBondContact OE1-O 3Å; D310-N312 PolarHBondContact O-N 3.16Å; D310-N312 VanDerWaalsContact O-N 3.16Å; D310-N312 PolarHBondContact OD1-N 3.32Å; D310-F313 HydrophobicContact CB-CB 4.05Å; D310-F313 PolarHBondContact O-N 3.08Å; D310-F313 VanDerWaalsContact O-N 3.14Å | ||
| 311 | M | 41.7 | Very low | 56.1 | Low | 170 Ų | 170 | 74.2 Ų | 74.2 | 84% | 0.837 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -14.4 | -177.8 | -62 | -166.8 | -62.7 | 0 | 0 | 113.3 | K309 | K309-M311 PolarHBondContact O-N 3.1Š|
| 312 | N | 53.4 | Low | 57.3 | Low | 23 Ų | 23 | 77.5 Ų | 77.5 | 12% | 0.123 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -0.5 | 177.7 | -49.2 | -67.2 | 0 | 0 | 0 | 112.7 | K288 P289 S290 D310 | K288-N312 HydrophobicContact CB-CB 4.48Å; K288-N312 HydrophobicContact CD-CB 4.32Å; K288-N312 HydrophobicContact CG-CB 4.07Å; P289-N312 CarbonylContact C-O 3.58Å; P289-N312 VanDerWaalsContact CA-O 3.25Å; P289-N312 WeakPolarHBondContact CA-O 3.48Å; P289-N312 WeakPolarHBondContact CB-O 3.2Å; S290-N312 PolarHBondContact N-O 2.8Å; D310-N312 PolarHBondContact O-N 3.16Å; D310-N312 VanDerWaalsContact O-N 3.16Å; D310-N312 PolarHBondContact OD1-N 3.32Å |
| 313 | F | 48.2 | Very low | 58.6 | Low | 28 Ų | 28 | 73.3 Ų | 73.3 | 12% | 0.123 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -75.5 | 133.1 | 176.4 | -177.6 | -100.2 | 0 | 0 | 0 | 111.1 | F209 A211 S290 F292 Q293 D310 E315 | F209-F313 HydrophobicContact CD1-CE1 4.08Å; F209-F313 AromaticContact CD1-CZ 3.63Å; F209-F313 HydrophobicContact CD1-CZ 3.63Å; F209-F313 HydrophobicContact CE1-CZ 4.16Å; A211-F313 HydrophobicContact CB-CE2 4.27Å; S290-F313 WeakPolarHBondContact O-CD2 3.42Å; F292-F313 VanDerWaalsContact C-CD2 3.48Å; Q293-F313 HydrophobicContact CB-CB 4.06Å; Q293-F313 HydrophobicContact CB-CD1 3.32Å; Q293-F313 HydrophobicContact CB-CD2 3.6Å; Q293-F313 HydrophobicContact CB-CE1 3.51Å; Q293-F313 HydrophobicContact CB-CE2 3.8Å; Q293-F313 HydrophobicContact CB-CG 3.38Å; Q293-F313 HydrophobicContact CB-CZ 3.78Å; Q293-F313 HydrophobicContact CG-CD1 3.69Å; Q293-F313 HydrophobicContact CG-CE1 4.02Å; Q293-F313 HydrophobicContact CG-CG 4.1Å; D310-F313 HydrophobicContact CB-CB 4.05Å; D310-F313 PolarHBondContact O-N 3.08Å; D310-F313 VanDerWaalsContact O-N 3.14Å; F313-E315 HydrophobicContact CE1-CB 4Å; F313-E315 HydrophobicContact CE1-CG 4.4Å |
| 314 | E | 55.3 | Low | 61 | Low | 28 Ų | 28 | 76.1 Ų | 76.1 | 13% | 0.131 | 38% | 0.383 | C | S | . | . | trans | -115.6 | 120.6 | 174.6 | -63 | -169.3 | 176.8 | 0 | 0 | 108.4 | P289 G316 Y318 K449 R451 | P289-E314 HydrophobicContact CB-CB 4.35Å; P289-E314 HydrophobicContact CB-CG 3.97Å; E314-G316 PolarHBondContact O-N 2.79Å; E314-G316 VanDerWaalsContact O-N 3.08Å; E314-Y318 HydrophobicContact CB-CD2 4.02Å; E314-Y318 HydrophobicContact CB-CE2 4.16Å; E314-K449 WeakPolarHBondContact OE1-CE 3.49Å; E314-K449 IonicContact OE1-NZ 3.63Å; E314-K449 PolarHBondContact OE1-NZ 3.39Å; E314-R451 IonicContact OE1-NE 3.08Å; E314-R451 IonicContact OE1-NH2 3.93Å; E314-R451 IonicContact OE2-CZ 3.29Å; E314-R451 IonicContact OE2-NE 3.65Å; E314-R451 PolarHBondContact OE2-NE 3.48Å; E314-R451 VanDerWaalsContact OE2-NE 3.16Å; E314-R451 IonicContact OE2-NH2 2.86Å | ||
| 315 | E | 46.8 | Very low | 63 | Low | 139 Ų | 139 | 72.8 Ų | 72.8 | 65% | 0.65 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -74.2 | 100.1 | -177.6 | -165.5 | 169 | -160.5 | 0 | 0 | 109.7 | F209 F313 | F209-E315 HydrophobicContact CE1-CG 4.16Å; F313-E315 HydrophobicContact CE1-CB 4Å; F313-E315 HydrophobicContact CE1-CG 4.4Å |
| 316 | G | 50.8 | Low | 65.5 | Low | 28 Ų | 28 | 69 Ų | 69 | 29% | 0.289 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 94.3 | 170.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | E314 Y318 | E314-G316 PolarHBondContact O-N 2.79Å; E314-G316 VanDerWaalsContact O-N 3.08Å; G316-Y318 PolarHBondContact O-N 3.4Å; G316-Y318 VanDerWaalsContact O-N 3.15Å |
| 317 | L | 44.2 | Very low | 67.7 | Low | 94 Ų | 94 | 67.8 Ų | 67.8 | 49% | 0.492 | 35% | 0.347 | S | S | . | . | trans | -72.6 | 99.4 | 165 | -75.3 | 166.7 | 0 | 0 | 0 | 107.7 | Q212 T319 | Q212-L317 HydrophobicContact CB-CD1 4.22Å; Q212-L317 HydrophobicContact CB-CG 4.14Å; Q212-L317 HydrophobicContact CG-CD1 4.11Å; L317-T319 PolarHBondContact O-N 2.9Å | ||
| 318 | Y | 57.8 | Low | 69.7 | Low | 70 Ų | 70 | 63.1 Ų | 63.1 | 28% | 0.275 | 33% | 0.329 | S | S | . | . | trans | -70.5 | 82.6 | 162.4 | -74.7 | -82.1 | 0 | 0 | 0 | 108.8 | E314 G316 N320 R451 T453 | E314-Y318 HydrophobicContact CB-CD2 4.02Å; E314-Y318 HydrophobicContact CB-CE2 4.16Å; G316-Y318 PolarHBondContact O-N 3.4Å; G316-Y318 VanDerWaalsContact O-N 3.15Å; Y318-N320 PolarHBondContact O-N 2.73Å; Y318-R451 HydrophobicContact CD1-CB 3.93Å; Y318-R451 HydrophobicContact CE1-CB 4.31Å; Y318-R451 HydrophobicContact CG-CB 4.22Å; Y318-R451 HydrophobicContact CG-CG 4.32Å; Y318-T453 HydrophobicContact CD1-CG2 4.32Å; Y318-T453 HydrophobicContact CE1-CG2 3.9Å | ||
| 319 | T | 67.8 | Low | 71.8 | Confident | 114 Ų | 114 | 58.3 Ų | 58.3 | 70% | 0.699 | 30% | 0.304 | S | S | * | . | trans | -83.9 | 91 | 166.9 | -49.7 | 0 | 0 | 0 | 0 | 106.9 | L317 | L317-T319 PolarHBondContact O-N 2.9Š| ||
| 320 | N | 87 | Confident | 74.1 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -50.8 | 141.7 | 165.4 | -87.7 | -16.4 | 0 | 0 | 0 | 109.5 | Y318 W341 I450 I452 | Y318-N320 PolarHBondContact O-N 2.73Å; N320-W341 HydrophobicContact CB-CD2 4.14Å; N320-W341 HydrophobicContact CB-CH2 3.91Å; N320-W341 HydrophobicContact CB-CZ2 3.45Å; N320-W341 VanDerWaalsContact CB-CZ2 3.45Å; N320-W341 HydrophobicContact CB-CZ3 4.48Å; N320-W341 PolarHBondContact ND2-O 3.08Å; N320-I450 PolarHBondContact ND2-O 3.37Å; N320-I452 PolarHBondContact OD1-N 2.98Å |
| 321 | P | 89.7 | Confident | 76.3 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 155.4 | 174.7 | 25.2 | -32.4 | 0 | 0 | 0 | 110.5 | A323 W341 F363 V367 I452 T454 | P321-A323 PolarHBondContact O-N 3.15Å; P321-A323 VanDerWaalsContact O-N 3.17Å; P321-W341 HydrophobicContact CG-CH2 4.37Å; P321-W341 HydrophobicContact CG-CZ2 4.02Å; P321-W341 VanDerWaalsContact O-CZ2 3.26Å; P321-W341 WeakPolarHBondContact O-CZ2 3.36Å; P321-W341 PolarHBondContact O-NE1 2.96Å; P321-F363 HydrophobicContact CG-CD1 3.89Å; P321-F363 HydrophobicContact CG-CE1 4.08Å; P321-V367 HydrophobicContact CB-CG1 4.04Å; P321-V367 HydrophobicContact CG-CG1 4.21Å; P321-V367 HydrophobicContact CG-CG2 4.29Å; P321-I452 HydrophobicContact CG-CD1 3.66Å; P321-I452 HydrophobicContact CG-CG1 4.23Å; P321-T454 HydrophobicContact CG-CG2 4.33Å |
| 322 | S | 91.7 | Very high | 78.8 | Confident | 87 Ų | 87 | 50.3 Ų | 50.3 | 61% | 0.608 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -55.8 | 125.4 | 175.2 | -63.6 | 0 | 0 | 0 | 0 | 109.8 | L364 | S322-L364 PolarHBondContact O-N 3.36Š|
| 323 | A | 95.8 | Very high | 80.8 | Confident | 5 Ų | 5 | 55 Ų | 55 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 152.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P321 K338 W341 V361 V362 F363 L364 | P321-A323 PolarHBondContact O-N 3.15Å; P321-A323 VanDerWaalsContact O-N 3.17Å; A323-K338 PolarHBondContact O-NZ 3.34Å; A323-W341 HydrophobicContact CB-CD2 4.48Å; A323-W341 HydrophobicContact CB-CZ2 3.77Å; A323-V361 HydrophobicContact CB-CG1 3.39Å; A323-V362 CarbonylContact C-O 3.58Å; A323-V362 VanDerWaalsContact CA-O 3.24Å; A323-V362 WeakPolarHBondContact CA-O 3.33Å; A323-V362 WeakPolarHBondContact CB-O 3.49Å; A323-F363 HydrophobicContact CB-CD1 4.06Å; A323-L364 VanDerWaalsContact CA-CD1 3.48Å |
| 324 | E | 96.9 | Very high | 82.9 | Confident | 69 Ų | 69 | 61.7 Ų | 61.7 | 32% | 0.322 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 145.2 | 163.9 | -64.9 | 175.8 | 155.7 | 0 | 0 | 109.2 | Y326 V362 L364 K401 | E324-Y326 HydrophobicContact CB-CD2 4.38Å; E324-Y326 HydrophobicContact CB-CE2 3.46Å; E324-Y326 VanDerWaalsContact CB-CE2 3.46Å; E324-Y326 PolarHBondContact OE2-OH 2.94Å; E324-V362 PolarHBondContact N-O 3.04Å; E324-V362 PolarHBondContact O-N 2.66Å; E324-L364 HydrophobicContact CG-CD1 4.27Å; E324-K401 VanDerWaalsContact CD-NZ 3.34Å; E324-K401 IonicContact OE1-NZ 3.95Å; E324-K401 PolarHBondContact OE1-NZ 2.81Å; E324-K401 VanDerWaalsContact OE2-CD 3.25Å; E324-K401 WeakPolarHBondContact OE2-CD 3.4Å; E324-K401 VanDerWaalsContact OE2-CE 3.31Å; E324-K401 WeakPolarHBondContact OE2-CE 3.26Å; E324-K401 IonicContact OE2-NZ 3.53Å; E324-K401 PolarHBondContact OE2-NZ 2.89Å |
| 325 | V | 97.5 | Very high | 84.7 | Confident | 19 Ų | 19 | 64 Ų | 64 | 12% | 0.115 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 122.6 | -174.9 | -169.7 | 0 | 0 | 0 | 0 | 109.7 | P337 K338 W341 L359 V361 | V325-P337 HydrophobicContact CB-CB 4.41Å; V325-P337 HydrophobicContact CG1-CB 3.69Å; V325-K338 HydrophobicContact CB-CB 4.34Å; V325-K338 HydrophobicContact CB-CD 4.25Å; V325-K338 HydrophobicContact CG2-CD 3.71Å; V325-W341 HydrophobicContact CG2-CB 3.57Å; V325-W341 HydrophobicContact CG2-CD2 4.43Å; V325-W341 HydrophobicContact CG2-CG 3.74Å; V325-L359 HydrophobicContact CG1-CD1 4.32Å; V325-L359 HydrophobicContact CG1-CD2 3.61Å; V325-L359 HydrophobicContact CG1-CG 3.99Å; V325-V361 HydrophobicContact CG1-CG2 4.19Å; V325-V361 HydrophobicContact CG2-CG1 4.41Å; V325-V361 HydrophobicContact CG2-CG2 4.26Å |
| 326 | Y | 97.1 | Very high | 87.1 | Confident | 57 Ų | 57 | 62.6 Ų | 62.6 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 149.9 | -176.8 | -58.5 | -84.6 | 0 | 0 | 0 | 109.8 | E324 L359 T360 V362 M400 K401 | E324-Y326 HydrophobicContact CB-CD2 4.38Å; E324-Y326 HydrophobicContact CB-CE2 3.46Å; E324-Y326 VanDerWaalsContact CB-CE2 3.46Å; E324-Y326 PolarHBondContact OE2-OH 2.94Å; Y326-L359 CarbonylContact O-C 3.51Å; Y326-L359 WeakPolarHBondContact O-CA 3.07Å; Y326-T360 PolarHBondContact N-O 2.83Å; Y326-T360 PolarHBondContact O-N 2.71Å; Y326-V362 HydrophobicContact CD2-CG2 4.07Å; Y326-V362 HydrophobicContact CE2-CG2 4.24Å; Y326-M400 HydrophobicContact CD1-CB 4.01Å; Y326-M400 HydrophobicContact CD1-CG 4.2Å; Y326-M400 HydrophobicContact CG-CB 4.18Å; Y326-K401 HydrophobicContact CD2-CB 4.25Å; Y326-K401 HydrophobicContact CE2-CB 3.71Å; Y326-K401 HydrophobicContact CE2-CD 4.48Å; Y326-K401 HydrophobicContact CE2-CG 4.22Å |
| 327 | S | 96.6 | Very high | 89.3 | Confident | 13 Ų | 13 | 62 Ų | 62 | 9% | 0.091 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 143.8 | 172 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | I329 Y358 M400 | S327-I329 WeakPolarHBondContact OG-CB 3.42Å; S327-I329 PolarHBondContact OG-N 2.92Å; S327-I329 VanDerWaalsContact OG-N 3.11Å; S327-Y358 VanDerWaalsContact CA-O 3.26Å; S327-Y358 WeakPolarHBondContact CA-O 3.49Å; S327-Y358 WeakPolarHBondContact CB-O 3.34Å; S327-Y358 PolarHBondContact OG-O 3.33Å; S327-M400 WeakPolarHBondContact O-CE 3.4Å |
| 328 | N | 95.9 | Very high | 91.7 | Very high | 65 Ų | 65 | 60.9 Ų | 60.9 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | trans | -92.1 | -4.3 | 168.7 | 74.5 | -33.2 | 0 | 0 | 0 | 112.3 | D357 Y358 | N328-D357 PolarHBondContact ND2-OD1 3.05Å; N328-D357 WeakPolarHBondContact OD1-CA 3.15Å; N328-Y358 HydrophobicContact CB-CE1 4.25Å; N328-Y358 PolarHBondContact N-O 3.41Å; N328-Y358 PolarHBondContact OD1-N 3.49Å; N328-Y358 PolarHBondContact OD1-O 3.28Å | ||
| 329 | I | 96.6 | Very high | 93.3 | Very high | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -69.1 | 131.8 | 173.4 | -58.5 | 164.3 | 0 | 0 | 0 | 108.8 | S327 T331 F348 P353 D357 V437 V445 | S327-I329 WeakPolarHBondContact OG-CB 3.42Å; S327-I329 PolarHBondContact OG-N 2.92Å; S327-I329 VanDerWaalsContact OG-N 3.11Å; I329-T331 PolarHBondContact O-N 3.45Å; I329-T331 VanDerWaalsContact O-N 3.16Å; I329-F348 HydrophobicContact CB-CE1 4.07Å; I329-F348 HydrophobicContact CB-CZ 3.86Å; I329-F348 HydrophobicContact CD1-CE1 4.11Å; I329-F348 HydrophobicContact CG2-CE1 4.12Å; I329-F348 HydrophobicContact CG2-CZ 3.96Å; I329-P353 HydrophobicContact CD1-CB 4.37Å; I329-P353 HydrophobicContact CG1-CB 4.33Å; I329-P353 HydrophobicContact CG2-CB 4.41Å; I329-D357 HydrophobicContact CD1-CB 4.41Å; I329-D357 HydrophobicContact CG1-CB 3.66Å; I329-V437 HydrophobicContact CD1-CG2 4.33Å; I329-V445 HydrophobicContact CG2-CG1 4.4Å |
| 330 | S | 96.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 55 Ų | 55 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 118.3 | -179 | -172 | 0 | 0 | 0 | 0 | 111.4 | G350 R351 | S330-G350 CarbonylContact O-C 3.54Å; S330-G350 WeakPolarHBondContact O-CA 3.34Å; S330-R351 PolarHBondContact O-N 3.44Å |
| 331 | T | 96.6 | Very high | 94.9 | Very high | 41 Ų | 41 | 54.4 Ų | 54.4 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | B | Isolated β-bridge | trans | -75.7 | 133.9 | -178.2 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | I329 Y335 F336 F348 | I329-T331 PolarHBondContact O-N 3.45Å; I329-T331 VanDerWaalsContact O-N 3.16Å; T331-Y335 WeakPolarHBondContact CG2-O 3.37Å; T331-F336 HydrophobicContact CG2-CD1 3.87Å; T331-F336 HydrophobicContact CG2-CE1 4.3Å; T331-F348 HydrophobicContact CG2-CE2 4.33Å |
| 332 | Y | 93.9 | Very high | 94.7 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 22% | 0.216 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -83.6 | 121.1 | 168.2 | -178.4 | -103.2 | 0 | 0 | 0 | 111 | K334 Y335 W349 W444 | Y332-K334 PolarHBondContact O-N 3.02Å; Y332-Y335 AromaticContact CD1-CD2 3.96Å; Y332-Y335 HydrophobicContact CD1-CD2 3.96Å; Y332-Y335 HydrophobicContact CD1-CE2 4.25Å; Y332-Y335 HydrophobicContact CE1-CE2 4.46Å; Y332-Y335 WeakPolarHBondContact O-CB 3.15Å; Y332-Y335 WeakPolarHBondContact O-CD2 3.31Å; Y332-Y335 PolarHBondContact O-N 3.31Å; Y332-Y335 VanDerWaalsContact O-N 3.15Å; Y332-W349 AromaticContact CD1-CD2 3.9Å; Y332-W349 HydrophobicContact CD1-CD2 3.9Å; Y332-W349 AromaticContact CD1-CE3 3.29Å; Y332-W349 HydrophobicContact CD1-CE3 3.29Å; Y332-W349 HydrophobicContact CD1-CH2 4.27Å; Y332-W349 AromaticContact CD1-CZ3 3.5Å; Y332-W349 HydrophobicContact CD1-CZ3 3.5Å; Y332-W349 AromaticContact CE1-CE3 3.73Å; Y332-W349 HydrophobicContact CE1-CE3 3.73Å; Y332-W349 HydrophobicContact CE1-CH2 4.03Å; Y332-W349 AromaticContact CE1-CZ3 3.39Å; Y332-W349 HydrophobicContact CE1-CZ3 3.39Å; Y332-W349 HydrophobicContact CG-CD2 4.41Å; Y332-W349 HydrophobicContact CG-CE3 4.21Å; Y332-W349 PolarHBondContact N-O 2.84Å; Y332-W444 HydrophobicContact CD1-CZ3 4.18Å; Y332-W444 HydrophobicContact CD2-CE3 4.34Å; Y332-W444 AromaticContact CD2-CH2 3.36Å; Y332-W444 HydrophobicContact CD2-CH2 3.36Å; Y332-W444 AromaticContact CD2-CZ3 3.24Å; Y332-W444 HydrophobicContact CD2-CZ3 3.24Å; Y332-W444 HydrophobicContact CE1-CZ3 4.42Å; Y332-W444 AromaticContact CE2-CH2 3.52Å; Y332-W444 HydrophobicContact CE2-CH2 3.52Å; Y332-W444 AromaticContact CE2-CZ3 3.59Å; Y332-W444 HydrophobicContact CE2-CZ3 3.59Å; Y332-W444 HydrophobicContact CG-CE3 4.38Å; Y332-W444 HydrophobicContact CG-CH2 4.17Å; Y332-W444 AromaticContact CG-CZ3 3.59Å; Y332-W444 HydrophobicContact CG-CZ3 3.59Å |
| 333 | Q | 94.3 | Very high | 93.7 | Very high | 122 Ų | 122 | 56.9 Ų | 56.9 | 57% | 0.57 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | -125.3 | 177.5 | -60.2 | -175.6 | -1.1 | 0 | 0 | 112.7 | Y335 | Q333-Y335 HydrophobicContact CB-CD2 4.34Š|
| 334 | K | 92.8 | Very high | 92.4 | Very high | 168 Ų | 168 | 58.3 Ų | 58.3 | 73% | 0.73 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 17.2 | -178.8 | -61.6 | -174.2 | 179.1 | -177.6 | 0 | 112.9 | Y332 F336 | Y332-K334 PolarHBondContact O-N 3.02Å; K334-F336 HydrophobicContact CB-CE2 3.96Å; K334-F336 HydrophobicContact CB-CZ 4.5Å; K334-F336 HydrophobicContact CG-CE2 4.33Å; K334-F336 VanDerWaalsContact O-CD2 3.27Å; K334-F336 WeakPolarHBondContact O-CD2 2.94Å; K334-F336 PolarHBondContact O-N 2.83Å |
| 335 | Y | 93.3 | Very high | 91 | Very high | 76 Ų | 76 | 60.6 Ų | 60.6 | 30% | 0.298 | 31% | 0.31 | S | S | . | . | trans | -85.6 | 62.4 | -179.8 | -67.1 | -80.5 | 0 | 0 | 0 | 111.3 | T331 Y332 Q333 F347 F348 W349 | T331-Y335 WeakPolarHBondContact CG2-O 3.37Å; Y332-Y335 AromaticContact CD1-CD2 3.96Å; Y332-Y335 HydrophobicContact CD1-CD2 3.96Å; Y332-Y335 HydrophobicContact CD1-CE2 4.25Å; Y332-Y335 HydrophobicContact CE1-CE2 4.46Å; Y332-Y335 WeakPolarHBondContact O-CB 3.15Å; Y332-Y335 WeakPolarHBondContact O-CD2 3.31Å; Y332-Y335 PolarHBondContact O-N 3.31Å; Y332-Y335 VanDerWaalsContact O-N 3.15Å; Q333-Y335 HydrophobicContact CB-CD2 4.34Å; Y335-F347 HydrophobicContact CD1-CD1 4.45Å; Y335-F347 AromaticContact CD1-CD2 3.88Å; Y335-F347 HydrophobicContact CD1-CD2 3.88Å; Y335-F347 HydrophobicContact CD1-CE1 4.06Å; Y335-F347 AromaticContact CD1-CE2 3.44Å; Y335-F347 HydrophobicContact CD1-CE2 3.44Å; Y335-F347 VanDerWaalsContact CD1-CE2 3.44Å; Y335-F347 HydrophobicContact CD1-CG 4.39Å; Y335-F347 AromaticContact CD1-CZ 3.55Å; Y335-F347 HydrophobicContact CD1-CZ 3.55Å; Y335-F347 HydrophobicContact CE1-CD1 4.43Å; Y335-F347 HydrophobicContact CE1-CD2 4.39Å; Y335-F347 AromaticContact CE1-CE1 3.66Å; Y335-F347 HydrophobicContact CE1-CE1 3.66Å; Y335-F347 AromaticContact CE1-CE2 3.63Å; Y335-F347 HydrophobicContact CE1-CE2 3.63Å; Y335-F347 AromaticContact CE1-CZ 3.2Å; Y335-F347 HydrophobicContact CE1-CZ 3.2Å; Y335-F347 HydrophobicContact CG-CE2 4.09Å; Y335-F347 HydrophobicContact CG-CZ 4.48Å; Y335-F347 AromaticContact CZ-CZ 3.92Å; Y335-F348 WeakPolarHBondContact O-CD2 3.36Å; Y335-W349 HydrophobicContact CD2-CB 4.39Å; Y335-W349 AromaticContact CD2-CE3 3.87Å; Y335-W349 HydrophobicContact CD2-CE3 3.87Å; Y335-W349 AromaticContact CE2-CE3 3.91Å; Y335-W349 HydrophobicContact CE2-CE3 3.91Å; Y335-W349 HydrophobicContact CE2-CZ3 4.3Å; Y335-W349 HydrophobicContact CG-CB 4.01Å; Y335-W349 HydrophobicContact CG-CE3 4.39Å; Y335-W349 PolarHBondContact O-N 3.04Å | ||
| 336 | F | 96.4 | Very high | 90.3 | Very high | 110 Ų | 110 | 61 Ų | 61 | 48% | 0.482 | 32% | 0.319 | S | S | . | . | trans | -69.7 | 155 | -171 | -60.7 | -67.3 | 0 | 0 | 0 | 113.8 | T331 K334 K338 L339 | T331-F336 HydrophobicContact CG2-CD1 3.87Å; T331-F336 HydrophobicContact CG2-CE1 4.3Å; K334-F336 HydrophobicContact CB-CE2 3.96Å; K334-F336 HydrophobicContact CB-CZ 4.5Å; K334-F336 HydrophobicContact CG-CE2 4.33Å; K334-F336 VanDerWaalsContact O-CD2 3.27Å; K334-F336 WeakPolarHBondContact O-CD2 2.94Å; K334-F336 PolarHBondContact O-N 2.83Å; F336-K338 PolarHBondContact O-N 2.91Å; F336-K338 VanDerWaalsContact O-N 3.1Å; F336-L339 WeakPolarHBondContact O-CB 3.47Å; F336-L339 PolarHBondContact O-N 3.27Å | ||
| 337 | P | 96.4 | Very high | 90.1 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 9% | 0.091 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -39.5 | -178.1 | -31.1 | 36.4 | 0 | 0 | 0 | 114.5 | V325 L339 A340 F348 L359 | V325-P337 HydrophobicContact CB-CB 4.41Å; V325-P337 HydrophobicContact CG1-CB 3.69Å; P337-L339 PolarHBondContact O-N 2.99Å; P337-A340 PolarHBondContact O-N 3.42Å; P337-A340 VanDerWaalsContact O-N 3.11Å; P337-F348 VanDerWaalsContact CA-CD2 3.49Å; P337-F348 HydrophobicContact CB-CD2 4.17Å; P337-F348 HydrophobicContact CB-CE2 4.49Å; P337-F348 HydrophobicContact CG-CD2 3.76Å; P337-F348 HydrophobicContact CG-CE2 3.65Å; P337-F348 HydrophobicContact CG-CZ 4.29Å; P337-F348 VanDerWaalsContact N-CD2 3.32Å; P337-L359 HydrophobicContact CB-CD1 3.84Å; P337-L359 HydrophobicContact CB-CG 4.26Å |
| 338 | K | 94.9 | Very high | 90.2 | Very high | 71 Ų | 71 | 60 Ų | 60 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.2 | -30.3 | -179.8 | -176 | 56.6 | 168.3 | 158 | 0 | 113.4 | A323 V325 F336 A340 W341 D342 | A323-K338 PolarHBondContact O-NZ 3.34Å; V325-K338 HydrophobicContact CB-CB 4.34Å; V325-K338 HydrophobicContact CB-CD 4.25Å; V325-K338 HydrophobicContact CG2-CD 3.71Å; F336-K338 PolarHBondContact O-N 2.91Å; F336-K338 VanDerWaalsContact O-N 3.1Å; K338-A340 VanDerWaalsContact C-N 3.27Å; K338-A340 PolarHBondContact O-N 2.82Å; K338-W341 WeakPolarHBondContact O-CB 3.37Å; K338-W341 PolarHBondContact O-N 3.49Å; K338-W341 VanDerWaalsContact O-N 3.08Å; K338-D342 WeakPolarHBondContact CD-OD1 3.32Å; K338-D342 WeakPolarHBondContact CE-OD1 3.44Å; K338-D342 WeakPolarHBondContact CE-OD2 3.4Å; K338-D342 WeakPolarHBondContact CG-OD2 3.45Å; K338-D342 IonicContact NZ-OD1 3.2Å; K338-D342 PolarHBondContact NZ-OD1 3.08Å; K338-D342 IonicContact NZ-OD2 2.72Å; K338-D342 PolarHBondContact O-N 3.38Å |
| 339 | L | 92.9 | Very high | 90.2 | Very high | 60 Ų | 60 | 59.5 Ų | 59.5 | 31% | 0.314 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.1 | -26.8 | 179 | -63.2 | 178.4 | 0 | 0 | 0 | 113.4 | F336 P337 W341 G346 | F336-L339 WeakPolarHBondContact O-CB 3.47Å; F336-L339 PolarHBondContact O-N 3.27Å; P337-L339 PolarHBondContact O-N 2.99Å; L339-W341 VanDerWaalsContact C-N 3.29Å; L339-G346 CarbonylContact O-C 3.58Å; L339-G346 VanDerWaalsContact O-C 3.29Å |
| 340 | A | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.2 | -21.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P337 K338 F348 I447 I450 R451 | P337-A340 PolarHBondContact O-N 3.42Å; P337-A340 VanDerWaalsContact O-N 3.11Å; K338-A340 VanDerWaalsContact C-N 3.27Å; K338-A340 PolarHBondContact O-N 2.82Å; A340-F348 HydrophobicContact CB-CB 3.87Å; A340-I447 HydrophobicContact CB-CB 4.27Å; A340-I447 HydrophobicContact CB-CG2 3.97Å; A340-I447 VanDerWaalsContact CB-O 3.31Å; A340-I447 WeakPolarHBondContact CB-O 3.4Å; A340-I450 HydrophobicContact CB-CD1 4.31Å; A340-I450 HydrophobicContact CB-CG1 4.36Å; A340-I450 PolarHBondContact O-N 3.18Å; A340-R451 PolarHBondContact O-NH1 3.47Å |
| 341 | W | 93.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 60.8 Ų | 60.8 | 2% | 0.019 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -91.9 | -40.7 | 179.3 | -179.5 | -95.3 | 0 | 0 | 0 | 112.6 | N320 P321 A323 V325 K338 L339 V361 F363 I450 I452 | N320-W341 HydrophobicContact CB-CD2 4.14Å; N320-W341 HydrophobicContact CB-CH2 3.91Å; N320-W341 HydrophobicContact CB-CZ2 3.45Å; N320-W341 VanDerWaalsContact CB-CZ2 3.45Å; N320-W341 HydrophobicContact CB-CZ3 4.48Å; N320-W341 PolarHBondContact ND2-O 3.08Å; P321-W341 HydrophobicContact CG-CH2 4.37Å; P321-W341 HydrophobicContact CG-CZ2 4.02Å; P321-W341 VanDerWaalsContact O-CZ2 3.26Å; P321-W341 WeakPolarHBondContact O-CZ2 3.36Å; P321-W341 PolarHBondContact O-NE1 2.96Å; A323-W341 HydrophobicContact CB-CD2 4.48Å; A323-W341 HydrophobicContact CB-CZ2 3.77Å; V325-W341 HydrophobicContact CG2-CB 3.57Å; V325-W341 HydrophobicContact CG2-CD2 4.43Å; V325-W341 HydrophobicContact CG2-CG 3.74Å; K338-W341 WeakPolarHBondContact O-CB 3.37Å; K338-W341 PolarHBondContact O-N 3.49Å; K338-W341 VanDerWaalsContact O-N 3.08Å; L339-W341 VanDerWaalsContact C-N 3.29Å; W341-V361 HydrophobicContact CD2-CG1 3.72Å; W341-V361 HydrophobicContact CD2-CG2 4.16Å; W341-V361 HydrophobicContact CE3-CB 4.17Å; W341-V361 HydrophobicContact CE3-CG1 3.63Å; W341-V361 HydrophobicContact CE3-CG2 3.53Å; W341-V361 HydrophobicContact CH2-CG1 3.73Å; W341-V361 HydrophobicContact CZ2-CG1 3.74Å; W341-V361 HydrophobicContact CZ3-CB 4.23Å; W341-V361 HydrophobicContact CZ3-CG1 3.65Å; W341-V361 HydrophobicContact CZ3-CG2 3.92Å; W341-F363 HydrophobicContact CH2-CD1 4.29Å; W341-F363 AromaticContact CH2-CE1 3.53Å; W341-F363 HydrophobicContact CH2-CE1 3.53Å; W341-F363 HydrophobicContact CH2-CZ 4.48Å; W341-F363 HydrophobicContact CZ2-CD1 4.2Å; W341-F363 AromaticContact CZ2-CE1 3.89Å; W341-F363 HydrophobicContact CZ2-CE1 3.89Å; W341-F363 HydrophobicContact CZ3-CE1 4.4Å; W341-I450 HydrophobicContact CE3-CB 3.99Å; W341-I450 HydrophobicContact CE3-CG2 3.71Å; W341-I450 HydrophobicContact CZ3-CB 4.39Å; W341-I450 HydrophobicContact CZ3-CG2 3.65Å; W341-I452 HydrophobicContact CH2-CD1 3.7Å; W341-I452 HydrophobicContact CH2-CG1 3.79Å; W341-I452 HydrophobicContact CH2-CG2 4.45Å; W341-I452 HydrophobicContact CZ3-CG1 4.45Å; W341-I452 HydrophobicContact CZ3-CG2 4.36Å |
| 342 | D | 84.8 | Confident | 90.1 | Very high | 52 Ų | 52 | 61.1 Ų | 61.1 | 28% | 0.278 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -69 | 153.2 | -175.1 | -72.9 | -9.1 | 0 | 0 | 0 | 111.9 | K338 | K338-D342 WeakPolarHBondContact CD-OD1 3.32Å; K338-D342 WeakPolarHBondContact CE-OD1 3.44Å; K338-D342 WeakPolarHBondContact CE-OD2 3.4Å; K338-D342 WeakPolarHBondContact CG-OD2 3.45Å; K338-D342 IonicContact NZ-OD1 3.2Å; K338-D342 PolarHBondContact NZ-OD1 3.08Å; K338-D342 IonicContact NZ-OD2 2.72Å; K338-D342 PolarHBondContact O-N 3.38Å |
| 343 | P | 70.9 | Confident | 90.1 | Very high | 113 Ų | 113 | 58.5 Ų | 58.5 | 73% | 0.734 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -65.1 | 143.3 | 175.3 | 27.4 | -34.3 | 0 | 0 | 0 | 111 | ||
| 344 | G | 68.1 | Low | 90.3 | Very high | 35 Ų | 35 | 59.4 Ų | 59.4 | 36% | 0.361 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 120.9 | -159.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 345 | E | 68.6 | Low | 90.5 | Very high | 117 Ų | 117 | 61.2 Ų | 61.2 | 55% | 0.547 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -89.8 | 0.9 | -176 | -56.8 | -170.4 | 164.7 | 0 | 0 | 114.2 | K288 | K288-E345 WeakPolarHBondContact CA-OE1 3.47Å; K288-E345 HydrophobicContact CB-CG 3.98Å; K288-E345 VanDerWaalsContact CB-OE1 3.31Å; K288-E345 WeakPolarHBondContact CB-OE1 3.34Å; K288-E345 PolarHBondContact N-OE1 2.71Å; K288-E345 WeakPolarHBondContact O-CG 3.28Å |
| 346 | G | 82.8 | Confident | 90.6 | Very high | 28 Ų | 28 | 59.8 Ų | 59.8 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | trans | -63.1 | 152.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | L339 | L339-G346 CarbonylContact O-C 3.58Å; L339-G346 VanDerWaalsContact O-C 3.29Å | ||
| 347 | F | 93.1 | Very high | 90.6 | Very high | 50 Ų | 50 | 56 Ų | 56 | 22% | 0.219 | 29% | 0.294 | C | S | . | . | trans | -147.2 | 156.7 | 174.1 | 59 | -91 | 0 | 0 | 0 | 110.6 | Y335 W349 I446 | Y335-F347 HydrophobicContact CD1-CD1 4.45Å; Y335-F347 AromaticContact CD1-CD2 3.88Å; Y335-F347 HydrophobicContact CD1-CD2 3.88Å; Y335-F347 HydrophobicContact CD1-CE1 4.06Å; Y335-F347 AromaticContact CD1-CE2 3.44Å; Y335-F347 HydrophobicContact CD1-CE2 3.44Å; Y335-F347 VanDerWaalsContact CD1-CE2 3.44Å; Y335-F347 HydrophobicContact CD1-CG 4.39Å; Y335-F347 AromaticContact CD1-CZ 3.55Å; Y335-F347 HydrophobicContact CD1-CZ 3.55Å; Y335-F347 HydrophobicContact CE1-CD1 4.43Å; Y335-F347 HydrophobicContact CE1-CD2 4.39Å; Y335-F347 AromaticContact CE1-CE1 3.66Å; Y335-F347 HydrophobicContact CE1-CE1 3.66Å; Y335-F347 AromaticContact CE1-CE2 3.63Å; Y335-F347 HydrophobicContact CE1-CE2 3.63Å; Y335-F347 AromaticContact CE1-CZ 3.2Å; Y335-F347 HydrophobicContact CE1-CZ 3.2Å; Y335-F347 HydrophobicContact CG-CE2 4.09Å; Y335-F347 HydrophobicContact CG-CZ 4.48Å; Y335-F347 AromaticContact CZ-CZ 3.92Å; F347-W349 HydrophobicContact CD2-CB 4.16Å; F347-W349 HydrophobicContact CE2-CB 3.96Å; F347-W349 HydrophobicContact CE2-CD2 4.32Å; F347-W349 HydrophobicContact CE2-CE3 4.18Å; F347-W349 HydrophobicContact CE2-CG 4.27Å; F347-I446 HydrophobicContact CB-CG2 4.13Å; F347-I446 HydrophobicContact CD2-CG1 4.41Å; F347-I446 HydrophobicContact CD2-CG2 3.69Å; F347-I446 HydrophobicContact CE2-CD1 4.36Å; F347-I446 HydrophobicContact CE2-CG1 4.4Å; F347-I446 HydrophobicContact CE2-CG2 4.35Å; F347-I446 HydrophobicContact CG-CG2 4.1Å | ||
| 348 | F | 97.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 133 | 169.2 | 173.1 | -120 | 0 | 0 | 0 | 109.5 | I329 T331 Y335 P337 A340 L359 I446 I447 | I329-F348 HydrophobicContact CB-CE1 4.07Å; I329-F348 HydrophobicContact CB-CZ 3.86Å; I329-F348 HydrophobicContact CD1-CE1 4.11Å; I329-F348 HydrophobicContact CG2-CE1 4.12Å; I329-F348 HydrophobicContact CG2-CZ 3.96Å; T331-F348 HydrophobicContact CG2-CE2 4.33Å; Y335-F348 WeakPolarHBondContact O-CD2 3.36Å; P337-F348 VanDerWaalsContact CA-CD2 3.49Å; P337-F348 HydrophobicContact CB-CD2 4.17Å; P337-F348 HydrophobicContact CB-CE2 4.49Å; P337-F348 HydrophobicContact CG-CD2 3.76Å; P337-F348 HydrophobicContact CG-CE2 3.65Å; P337-F348 HydrophobicContact CG-CZ 4.29Å; P337-F348 VanDerWaalsContact N-CD2 3.32Å; A340-F348 HydrophobicContact CB-CB 3.87Å; F348-L359 HydrophobicContact CB-CD1 4.43Å; F348-L359 HydrophobicContact CD1-CD1 3.88Å; F348-L359 HydrophobicContact CE1-CD1 4.4Å; F348-L359 HydrophobicContact CG-CD1 4.18Å; F348-I446 CarbonylContact O-C 3.56Å; F348-I446 VanDerWaalsContact O-CA 3.32Å; F348-I446 WeakPolarHBondContact O-CA 3.01Å; F348-I447 HydrophobicContact CB-CB 4.23Å; F348-I447 HydrophobicContact CD1-CB 4.3Å; F348-I447 HydrophobicContact CD1-CD1 3.88Å; F348-I447 HydrophobicContact CD1-CG1 4.08Å; F348-I447 HydrophobicContact CE1-CD1 4.45Å; F348-I447 PolarHBondContact N-O 2.7Å; F348-I447 PolarHBondContact O-N 3.47Å |
| 349 | W | 97.4 | Very high | 90.8 | Very high | 54 Ų | 54 | 54.7 Ų | 54.7 | 21% | 0.205 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 104.5 | 174.1 | -159.5 | 3.9 | 0 | 0 | 0 | 109.8 | Y332 Y335 F347 W444 V445 I446 | Y332-W349 AromaticContact CD1-CD2 3.9Å; Y332-W349 HydrophobicContact CD1-CD2 3.9Å; Y332-W349 AromaticContact CD1-CE3 3.29Å; Y332-W349 HydrophobicContact CD1-CE3 3.29Å; Y332-W349 HydrophobicContact CD1-CH2 4.27Å; Y332-W349 AromaticContact CD1-CZ3 3.5Å; Y332-W349 HydrophobicContact CD1-CZ3 3.5Å; Y332-W349 AromaticContact CE1-CE3 3.73Å; Y332-W349 HydrophobicContact CE1-CE3 3.73Å; Y332-W349 HydrophobicContact CE1-CH2 4.03Å; Y332-W349 AromaticContact CE1-CZ3 3.39Å; Y332-W349 HydrophobicContact CE1-CZ3 3.39Å; Y332-W349 HydrophobicContact CG-CD2 4.41Å; Y332-W349 HydrophobicContact CG-CE3 4.21Å; Y332-W349 PolarHBondContact N-O 2.84Å; Y335-W349 HydrophobicContact CD2-CB 4.39Å; Y335-W349 AromaticContact CD2-CE3 3.87Å; Y335-W349 HydrophobicContact CD2-CE3 3.87Å; Y335-W349 AromaticContact CE2-CE3 3.91Å; Y335-W349 HydrophobicContact CE2-CE3 3.91Å; Y335-W349 HydrophobicContact CE2-CZ3 4.3Å; Y335-W349 HydrophobicContact CG-CB 4.01Å; Y335-W349 HydrophobicContact CG-CE3 4.39Å; Y335-W349 PolarHBondContact O-N 3.04Å; F347-W349 HydrophobicContact CD2-CB 4.16Å; F347-W349 HydrophobicContact CE2-CB 3.96Å; F347-W349 HydrophobicContact CE2-CD2 4.32Å; F347-W349 HydrophobicContact CE2-CE3 4.18Å; F347-W349 HydrophobicContact CE2-CG 4.27Å; W349-W444 HydrophobicContact CD2-CE3 4.36Å; W349-W444 AromaticContact CE2-CE3 3.59Å; W349-W444 HydrophobicContact CH2-CZ3 4.41Å; W349-W444 AromaticContact CZ2-CE3 3.73Å; W349-W444 HydrophobicContact CZ2-CE3 3.73Å; W349-W444 AromaticContact CZ2-CZ3 3.95Å; W349-W444 HydrophobicContact CZ2-CZ3 3.95Å; W349-W444 AromaticContact NE1-CE3 3.54Å; W349-V445 WeakPolarHBondContact CA-O 3.3Å; W349-I446 VanDerWaalsContact CD1-CG1 3.4Å; W349-I446 HydrophobicContact CD2-CG1 4.35Å; W349-I446 HydrophobicContact CG-CG1 3.88Å |
| 350 | G | 96.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 145.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S330 W444 V445 | S330-G350 CarbonylContact O-C 3.54Å; S330-G350 WeakPolarHBondContact O-CA 3.34Å; G350-W444 WeakPolarHBondContact O-CB 3.2Å; G350-V445 PolarHBondContact N-O 3.16Å; G350-V445 PolarHBondContact O-N 2.98Å |
| 351 | R | 95.5 | Very high | 91.2 | Very high | 106 Ų | 106 | 51.8 Ų | 51.8 | 40% | 0.4 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -90 | 129.4 | 175.9 | -58 | -179.6 | -176.6 | -179.2 | -2.1 | 110.4 | S330 W444 | S330-R351 PolarHBondContact O-N 3.44Å; R351-W444 HydrophobicContact CB-CD2 4.43Å; R351-W444 HydrophobicContact CG-CD2 4.09Å; R351-W444 HydrophobicContact CG-CE3 4.39Å; R351-W444 HydrophobicContact CG-CH2 4.37Å; R351-W444 HydrophobicContact CG-CZ2 4.01Å |
| 352 | S | 93 | Very high | 91.5 | Very high | 48 Ų | 48 | 51.9 Ų | 51.9 | 34% | 0.336 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 28.6 | 73.1 | 166.9 | -53.1 | 0 | 0 | 0 | 0 | 114.4 | K442 | S352-K442 WeakPolarHBondContact CB-O 3.48Å; S352-K442 PolarHBondContact OG-O 3.23Å |
| 353 | P | 95 | Very high | 92 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -66.8 | 144 | -175.1 | 27.8 | -34.6 | 0 | 0 | 0 | 112.1 | I329 D357 V437 G440 Q441 V445 | I329-P353 HydrophobicContact CD1-CB 4.37Å; I329-P353 HydrophobicContact CG1-CB 4.33Å; I329-P353 HydrophobicContact CG2-CB 4.41Å; P353-D357 WeakPolarHBondContact CA-OD2 3.39Å; P353-D357 HydrophobicContact CB-CB 4.44Å; P353-V437 HydrophobicContact CB-CG1 4.24Å; P353-V437 HydrophobicContact CB-CG2 3.98Å; P353-G440 VanDerWaalsContact O-CA 3.27Å; P353-G440 WeakPolarHBondContact O-CA 3.19Å; P353-Q441 HydrophobicContact CG-CG 3.69Å; P353-Q441 PolarHBondContact O-N 2.7Å; P353-V445 HydrophobicContact CB-CG1 4.5Å; P353-V445 HydrophobicContact CG-CB 4.13Å; P353-V445 HydrophobicContact CG-CG1 3.89Å | ||
| 354 | E | 97.3 | Very high | 93.1 | Very high | 140 Ų | 140 | 49.3 Ų | 49.3 | 65% | 0.654 | 25% | 0.25 | S | S | * | . | trans | -104.8 | 165.7 | 178 | -65.4 | -168 | 170.9 | 0 | 0 | 112.1 | G356 D357 V437 | E354-G356 PolarHBondContact O-N 3.26Å; E354-D357 PolarHBondContact N-OD2 3.06Å; E354-D357 VanDerWaalsContact O-CB 3.28Å; E354-D357 WeakPolarHBondContact O-CB 3.45Å; E354-D357 PolarHBondContact O-N 3.3Å; E354-V437 WeakPolarHBondContact O-CB 2.97Å; E354-V437 VanDerWaalsContact O-CG1 3.23Å; E354-V437 WeakPolarHBondContact O-CG1 3.47Å | ||
| 355 | R | 97 | Very high | 94.3 | Very high | 207 Ų | 207 | 54.5 Ų | 54.5 | 78% | 0.781 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 127.4 | 176 | 179 | 176.2 | -176.9 | -166.8 | 1.4 | 110 | T438 | R355-T438 WeakPolarHBondContact CG-O 3.5Š|
| 356 | G | 95.4 | Very high | 95.6 | Very high | 46 Ų | 46 | 52.3 Ų | 52.3 | 47% | 0.474 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -7.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E354 V437 | E354-G356 PolarHBondContact O-N 3.26Å; G356-V437 PolarHBondContact N-O 2.81Å |
| 357 | D | 97.7 | Very high | 96.1 | Very high | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.16 | 25% | 0.254 | C | S | . | . | trans | -66.8 | 154.7 | 167.6 | -77.2 | -17.5 | 0 | 0 | 0 | 112 | N328 I329 P353 E354 V437 | N328-D357 PolarHBondContact ND2-OD1 3.05Å; N328-D357 WeakPolarHBondContact OD1-CA 3.15Å; I329-D357 HydrophobicContact CD1-CB 4.41Å; I329-D357 HydrophobicContact CG1-CB 3.66Å; P353-D357 WeakPolarHBondContact CA-OD2 3.39Å; P353-D357 HydrophobicContact CB-CB 4.44Å; E354-D357 PolarHBondContact N-OD2 3.06Å; E354-D357 VanDerWaalsContact O-CB 3.28Å; E354-D357 WeakPolarHBondContact O-CB 3.45Å; E354-D357 PolarHBondContact O-N 3.3Å; D357-V437 HydrophobicContact CB-CB 4.18Å; D357-V437 HydrophobicContact CB-CG2 3.99Å; D357-V437 WeakPolarHBondContact O-CB 3.47Å; D357-V437 WeakPolarHBondContact O-CG2 3.22Å; D357-V437 PolarHBondContact O-N 2.81Å | ||
| 358 | Y | 97.3 | Very high | 96.2 | Very high | 57 Ų | 57 | 51.4 Ų | 51.4 | 22% | 0.224 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 159.1 | -175.7 | 61.9 | -93.9 | 0 | 0 | 0 | 113.6 | S327 N328 T360 I435 | S327-Y358 VanDerWaalsContact CA-O 3.26Å; S327-Y358 WeakPolarHBondContact CA-O 3.49Å; S327-Y358 WeakPolarHBondContact CB-O 3.34Å; S327-Y358 PolarHBondContact OG-O 3.33Å; N328-Y358 HydrophobicContact CB-CE1 4.25Å; N328-Y358 PolarHBondContact N-O 3.41Å; N328-Y358 PolarHBondContact OD1-N 3.49Å; N328-Y358 PolarHBondContact OD1-O 3.28Å; Y358-T360 WeakPolarHBondContact CD2-OG1 3.4Å; Y358-I435 CarbonylContact C-O 3.54Å; Y358-I435 WeakPolarHBondContact CA-O 3.35Å; Y358-I435 WeakPolarHBondContact CB-O 3.32Å |
| 359 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123.9 | 158.4 | -178.6 | 160.5 | 0 | 0 | 0 | 107.6 | V325 Y326 P337 F348 V361 R434 I435 I447 I450 | V325-L359 HydrophobicContact CG1-CD1 4.32Å; V325-L359 HydrophobicContact CG1-CD2 3.61Å; V325-L359 HydrophobicContact CG1-CG 3.99Å; Y326-L359 CarbonylContact O-C 3.51Å; Y326-L359 WeakPolarHBondContact O-CA 3.07Å; P337-L359 HydrophobicContact CB-CD1 3.84Å; P337-L359 HydrophobicContact CB-CG 4.26Å; F348-L359 HydrophobicContact CB-CD1 4.43Å; F348-L359 HydrophobicContact CD1-CD1 3.88Å; F348-L359 HydrophobicContact CE1-CD1 4.4Å; F348-L359 HydrophobicContact CG-CD1 4.18Å; L359-V361 HydrophobicContact CD2-CG2 3.96Å; L359-R434 WeakPolarHBondContact O-CA 3.11Å; L359-I435 PolarHBondContact N-O 2.84Å; L359-I435 PolarHBondContact O-N 2.96Å; L359-I447 HydrophobicContact CB-CD1 4.26Å; L359-I447 HydrophobicContact CD1-CD1 3.84Å; L359-I450 HydrophobicContact CD1-CD1 4.43Å; L359-I450 HydrophobicContact CD2-CD1 3.61Å |
| 360 | T | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 123.5 | 179.8 | -56.9 | 0 | 0 | 0 | 0 | 110 | Y326 Y358 V362 F406 C432 L433 | Y326-T360 PolarHBondContact N-O 2.83Å; Y326-T360 PolarHBondContact O-N 2.71Å; Y358-T360 WeakPolarHBondContact CD2-OG1 3.4Å; T360-V362 HydrophobicContact CG2-CG2 3.95Å; T360-F406 HydrophobicContact CG2-CZ 4.34Å; T360-C432 HydrophobicContact CG2-CB 4.05Å; T360-L433 CarbonylContact C-O 3.56Å; T360-L433 WeakPolarHBondContact CA-O 3.22Å |
| 361 | V | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 122.9 | 166.6 | -178.2 | 0 | 0 | 0 | 0 | 107.5 | A323 V325 W341 L359 F363 C432 L433 I450 | A323-V361 HydrophobicContact CB-CG1 3.39Å; V325-V361 HydrophobicContact CG1-CG2 4.19Å; V325-V361 HydrophobicContact CG2-CG1 4.41Å; V325-V361 HydrophobicContact CG2-CG2 4.26Å; W341-V361 HydrophobicContact CD2-CG1 3.72Å; W341-V361 HydrophobicContact CD2-CG2 4.16Å; W341-V361 HydrophobicContact CE3-CB 4.17Å; W341-V361 HydrophobicContact CE3-CG1 3.63Å; W341-V361 HydrophobicContact CE3-CG2 3.53Å; W341-V361 HydrophobicContact CH2-CG1 3.73Å; W341-V361 HydrophobicContact CZ2-CG1 3.74Å; W341-V361 HydrophobicContact CZ3-CB 4.23Å; W341-V361 HydrophobicContact CZ3-CG1 3.65Å; W341-V361 HydrophobicContact CZ3-CG2 3.92Å; L359-V361 HydrophobicContact CD2-CG2 3.96Å; V361-F363 HydrophobicContact CG1-CD1 4.1Å; V361-F363 HydrophobicContact CG1-CE1 3.83Å; V361-C432 CarbonylContact O-C 3.53Å; V361-C432 WeakPolarHBondContact O-CA 3.32Å; V361-C432 WeakPolarHBondContact O-CB 3.36Å; V361-L433 HydrophobicContact CB-CB 4.35Å; V361-L433 HydrophobicContact CG2-CD2 4.38Å; V361-L433 PolarHBondContact N-O 3.11Å; V361-L433 PolarHBondContact O-N 3.1Å; V361-I450 HydrophobicContact CG2-CD1 4.17Å |
| 362 | V | 97.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 4% | 0.036 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 111.9 | 176.4 | -175.2 | 0 | 0 | 0 | 0 | 107.7 | A323 E324 Y326 T360 V395 K401 | A323-V362 CarbonylContact C-O 3.58Å; A323-V362 VanDerWaalsContact CA-O 3.24Å; A323-V362 WeakPolarHBondContact CA-O 3.33Å; A323-V362 WeakPolarHBondContact CB-O 3.49Å; E324-V362 PolarHBondContact N-O 3.04Å; E324-V362 PolarHBondContact O-N 2.66Å; Y326-V362 HydrophobicContact CD2-CG2 4.07Å; Y326-V362 HydrophobicContact CE2-CG2 4.24Å; T360-V362 HydrophobicContact CG2-CG2 3.95Å; V362-V395 HydrophobicContact CG1-CG1 3.94Å; V362-V395 HydrophobicContact CG1-CG2 4.18Å; V362-K401 HydrophobicContact CG1-CB 4.48Å; V362-K401 HydrophobicContact CG2-CB 4.05Å |
| 363 | F | 96.7 | Very high | 95.2 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 141.6 | -179.9 | -51.1 | -54.1 | 0 | 0 | 0 | 110.1 | P321 A323 W341 V361 E365 V367 S430 S431 L433 I452 | P321-F363 HydrophobicContact CG-CD1 3.89Å; P321-F363 HydrophobicContact CG-CE1 4.08Å; A323-F363 HydrophobicContact CB-CD1 4.06Å; W341-F363 HydrophobicContact CH2-CD1 4.29Å; W341-F363 AromaticContact CH2-CE1 3.53Å; W341-F363 HydrophobicContact CH2-CE1 3.53Å; W341-F363 HydrophobicContact CH2-CZ 4.48Å; W341-F363 HydrophobicContact CZ2-CD1 4.2Å; W341-F363 AromaticContact CZ2-CE1 3.89Å; W341-F363 HydrophobicContact CZ2-CE1 3.89Å; W341-F363 HydrophobicContact CZ3-CE1 4.4Å; V361-F363 HydrophobicContact CG1-CD1 4.1Å; V361-F363 HydrophobicContact CG1-CE1 3.83Å; F363-E365 VanDerWaalsContact C-N 3.29Å; F363-E365 WeakPolarHBondContact CB-O 3.04Å; F363-V367 HydrophobicContact CD1-CG2 4.35Å; F363-V367 HydrophobicContact CD2-CG2 3.62Å; F363-V367 HydrophobicContact CE1-CG2 4.4Å; F363-V367 HydrophobicContact CE2-CG2 3.66Å; F363-V367 HydrophobicContact CG-CG2 3.99Å; F363-V367 HydrophobicContact CZ-CG2 4.06Å; F363-S430 VanDerWaalsContact CD2-O 3.32Å; F363-S430 WeakPolarHBondContact CD2-O 3.16Å; F363-S431 VanDerWaalsContact CD2-C 3.43Å; F363-S431 WeakPolarHBondContact CD2-O 3.35Å; F363-S431 PolarHBondContact N-O 3.46Å; F363-L433 HydrophobicContact CZ-CB 3.92Å; F363-I452 HydrophobicContact CE1-CD1 3.64Å; F363-I452 HydrophobicContact CZ-CD1 3.68Å |
| 364 | L | 94.2 | Very high | 95.2 | Very high | 103 Ų | 103 | 44.7 Ų | 44.7 | 54% | 0.539 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | -39.7 | 174.1 | -90.9 | 69.8 | 0 | 0 | 0 | 110.6 | S322 A323 E324 | S322-L364 PolarHBondContact O-N 3.36Å; A323-L364 VanDerWaalsContact CA-CD1 3.48Å; E324-L364 HydrophobicContact CG-CD1 4.27Å |
| 365 | E | 93.4 | Very high | 95 | Very high | 144 Ų | 144 | 39.9 Ų | 39.9 | 67% | 0.673 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.7 | 173.3 | -66.5 | -61.2 | 153.7 | 0 | 0 | 109.1 | F363 V367 | F363-E365 VanDerWaalsContact C-N 3.29Å; F363-E365 WeakPolarHBondContact CB-O 3.04Å; E365-V367 PolarHBondContact O-N 3.08Å |
| 366 | P | 94.3 | Very high | 95 | Very high | 71 Ų | 71 | 30.5 Ų | 30.5 | 46% | 0.461 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 136 | 175.9 | -24.5 | 34.4 | 0 | 0 | 0 | 112.3 | A429 S430 | P366-A429 HydrophobicContact CB-CB 3.93Å; P366-S430 CarbonylContact C-O 3.55Å; P366-S430 VanDerWaalsContact CA-O 3.32Å; P366-S430 WeakPolarHBondContact CA-O 3.28Å |
| 367 | V | 93.8 | Very high | 94.8 | Very high | 22 Ų | 22 | 28.4 Ų | 28.4 | 13% | 0.133 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144.2 | -176.3 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | P321 F363 E365 V369 A429 S430 I452 T454 | P321-V367 HydrophobicContact CB-CG1 4.04Å; P321-V367 HydrophobicContact CG-CG1 4.21Å; P321-V367 HydrophobicContact CG-CG2 4.29Å; F363-V367 HydrophobicContact CD1-CG2 4.35Å; F363-V367 HydrophobicContact CD2-CG2 3.62Å; F363-V367 HydrophobicContact CE1-CG2 4.4Å; F363-V367 HydrophobicContact CE2-CG2 3.66Å; F363-V367 HydrophobicContact CG-CG2 3.99Å; F363-V367 HydrophobicContact CZ-CG2 4.06Å; E365-V367 PolarHBondContact O-N 3.08Å; V367-V369 HydrophobicContact CG2-CG2 3.97Å; V367-V369 PolarHBondContact O-N 2.77Å; V367-A429 CarbonylContact O-C 3.6Å; V367-A429 WeakPolarHBondContact O-CA 3.46Å; V367-S430 PolarHBondContact N-O 3.47Å; V367-S430 PolarHBondContact O-N 3.07Å; V367-I452 HydrophobicContact CG2-CD1 4.43Å; V367-T454 HydrophobicContact CB-CG2 3.8Å; V367-T454 HydrophobicContact CG1-CG2 4.24Å; V367-T454 HydrophobicContact CG2-CG2 3.91Å |
| 368 | V | 94.6 | Very high | 94.2 | Very high | 37 Ų | 37 | 30.1 Ų | 30.1 | 22% | 0.224 | 17% | 0.165 | C | C | . | . | trans | -83.2 | 105.2 | 167.2 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | D423 A429 T454 K455 | V368-D423 HydrophobicContact CG1-CB 3.96Å; V368-A429 HydrophobicContact CG2-CB 4.15Å; V368-T454 CarbonylContact O-C 3.59Å; V368-T454 WeakPolarHBondContact O-CA 3.42Å; V368-T454 WeakPolarHBondContact O-CB 3.26Å; V368-K455 HydrophobicContact CB-CB 4.38Å; V368-K455 HydrophobicContact CG1-CD 4.17Å; V368-K455 HydrophobicContact CG1-CG 4.44Å; V368-K455 PolarHBondContact O-N 3.22Å | ||
| 369 | V | 93.1 | Very high | 93 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 128.4 | -178.4 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | V367 I372 L391 V422 D423 I452 | V367-V369 HydrophobicContact CG2-CG2 3.97Å; V367-V369 PolarHBondContact O-N 2.77Å; V369-I372 HydrophobicContact CG1-CD1 3.94Å; V369-I372 HydrophobicContact CG1-CG1 3.54Å; V369-L391 HydrophobicContact CB-CD1 4.32Å; V369-L391 HydrophobicContact CG2-CD1 4.45Å; V369-L391 HydrophobicContact CG2-CD2 4.12Å; V369-V422 HydrophobicContact CB-CG1 4.41Å; V369-V422 HydrophobicContact CG1-CB 4.46Å; V369-V422 HydrophobicContact CG1-CG1 4.36Å; V369-V422 WeakPolarHBondContact O-CB 3.41Å; V369-D423 PolarHBondContact O-N 3.02Å; V369-I452 HydrophobicContact CG1-CB 4.44Å; V369-I452 HydrophobicContact CG2-CD1 4.32Å |
| 370 | T | 90.9 | Very high | 92.1 | Very high | 27 Ų | 27 | 34.4 Ų | 34.4 | 17% | 0.166 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -20.2 | 178.5 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | R420 E421 V422 D423 T453 T454 K455 | T370-R420 CarbonylContact O-C 3.55Å; T370-E421 WeakPolarHBondContact O-CA 3.46Å; T370-E421 PolarHBondContact O-N 2.88Å; T370-V422 PolarHBondContact O-N 3.18Å; T370-D423 HydrophobicContact CG2-CB 4.1Å; T370-T453 PolarHBondContact N-O 3.17Å; T370-T453 WeakPolarHBondContact OG1-CB 3.4Å; T370-T453 PolarHBondContact OG1-O 3.05Å; T370-T453 VanDerWaalsContact OG1-O 3.07Å; T370-T453 PolarHBondContact OG1-OG1 3.31Å; T370-T454 PolarHBondContact OG1-N 2.96Å; T370-K455 HydrophobicContact CG2-CB 4.42Å; T370-K455 HydrophobicContact CG2-CG 3.62Å |
| 371 | G | 90.3 | Very high | 91.6 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 8% | 0.082 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 147.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | M419 I452 T453 | G371-M419 CarbonylContact C-O 3.55Å; G371-M419 VanDerWaalsContact CA-O 3.29Å; G371-M419 WeakPolarHBondContact CA-O 3.27Å; G371-I452 CarbonylContact O-C 3.53Å; G371-I452 WeakPolarHBondContact O-CA 3.37Å; G371-I452 WeakPolarHBondContact O-CB 3.19Å; G371-T453 VanDerWaalsContact CA-OG1 3.28Å; G371-T453 WeakPolarHBondContact CA-OG1 3.4Å; G371-T453 PolarHBondContact N-O 2.82Å; G371-T453 PolarHBondContact N-OG1 3.19Å; G371-T453 PolarHBondContact O-N 2.81Å |
| 372 | I | 93.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 134 | 179.7 | -59.5 | 171.3 | 0 | 0 | 0 | 108.7 | V369 V374 V389 L391 L409 F417 E418 M419 V422 L433 R451 I452 | V369-I372 HydrophobicContact CG1-CD1 3.94Å; V369-I372 HydrophobicContact CG1-CG1 3.54Å; I372-V374 HydrophobicContact CG2-CG2 4.05Å; I372-V389 HydrophobicContact CD1-CG1 4.34Å; I372-V389 HydrophobicContact CG2-CG1 4.29Å; I372-L391 HydrophobicContact CD1-CD2 4.2Å; I372-L391 HydrophobicContact CD1-CG 4.43Å; I372-L409 HydrophobicContact CD1-CD1 3.4Å; I372-L409 VanDerWaalsContact CD1-CD1 3.4Å; I372-F417 HydrophobicContact CB-CE1 4.14Å; I372-F417 HydrophobicContact CG2-CD1 4Å; I372-F417 HydrophobicContact CG2-CE1 3.99Å; I372-E418 CarbonylContact O-C 3.55Å; I372-E418 WeakPolarHBondContact O-CA 3.09Å; I372-M419 PolarHBondContact N-O 2.83Å; I372-M419 PolarHBondContact O-N 2.9Å; I372-V422 HydrophobicContact CD1-CG2 4.46Å; I372-V422 HydrophobicContact CG1-CG2 4.37Å; I372-L433 HydrophobicContact CD1-CD1 3.88Å; I372-L433 HydrophobicContact CG1-CD1 4.16Å; I372-L433 HydrophobicContact CG2-CD1 4Å; I372-R451 CarbonylContact C-O 2.99Å; I372-R451 WeakPolarHBondContact CA-O 3.32Å; I372-I452 HydrophobicContact CB-CG2 4.45Å; I372-I452 HydrophobicContact CG1-CG2 3.99Å; I372-I452 HydrophobicContact CG2-CG2 4.34Å |
| 373 | L | 92.3 | Very high | 91.1 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 124.7 | 168.9 | 167.8 | 66.8 | 0 | 0 | 0 | 108.6 | E375 K416 F417 E418 K449 R451 | L373-E375 HydrophobicContact CD1-CG 3.8Å; L373-E375 HydrophobicContact CG-CG 4.22Å; L373-K416 HydrophobicContact CD1-CD 4.39Å; L373-K416 HydrophobicContact CD1-CG 4.35Å; L373-F417 CarbonylContact C-O 3.52Å; L373-F417 WeakPolarHBondContact CA-O 3.43Å; L373-E418 HydrophobicContact CD1-CB 4.2Å; L373-E418 HydrophobicContact CD1-CG 4.38Å; L373-K449 HydrophobicContact CD2-CD 4.47Å; L373-R451 HydrophobicContact CB-CB 4.26Å; L373-R451 PolarHBondContact N-O 2.84Å; L373-R451 PolarHBondContact O-N 2.74Å |
| 374 | V | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127.1 | 169.4 | -170.8 | 0 | 0 | 0 | 0 | 109 | I372 V389 F412 K416 F417 I435 I447 K449 I450 | I372-V374 HydrophobicContact CG2-CG2 4.05Å; V374-V389 HydrophobicContact CG2-CG2 4.14Å; V374-F412 HydrophobicContact CB-CE1 3.85Å; V374-F412 HydrophobicContact CB-CZ 3.89Å; V374-F412 HydrophobicContact CG1-CE1 3.67Å; V374-F412 HydrophobicContact CG1-CZ 3.68Å; V374-F412 HydrophobicContact CG2-CZ 4.48Å; V374-K416 WeakPolarHBondContact O-CA 3.33Å; V374-F417 HydrophobicContact CB-CB 4.34Å; V374-F417 PolarHBondContact N-O 2.84Å; V374-F417 PolarHBondContact O-N 2.65Å; V374-I435 HydrophobicContact CG1-CD1 3.63Å; V374-I435 HydrophobicContact CG1-CG1 4.45Å; V374-I435 HydrophobicContact CG2-CD1 4.29Å; V374-I447 HydrophobicContact CG1-CG2 4.14Å; V374-K449 WeakPolarHBondContact CA-O 3.44Å; V374-I450 HydrophobicContact CG1-CG1 4.32Å; V374-I450 HydrophobicContact CG2-CG2 4.33Å |
| 375 | E | 93.4 | Very high | 90.8 | Very high | 39 Ų | 39 | 45.3 Ų | 45.3 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.4 | 174.3 | -53.8 | -171.6 | 131.2 | 0 | 0 | 110.3 | L373 K416 R448 K449 | L373-E375 HydrophobicContact CD1-CG 3.8Å; L373-E375 HydrophobicContact CG-CG 4.22Å; E375-K416 HydrophobicContact CG-CG 4.37Å; E375-R448 WeakPolarHBondContact O-CB 3.38Å; E375-R448 PolarHBondContact O-N 2.74Å; E375-K449 HydrophobicContact CB-CG 3.92Å; E375-K449 HydrophobicContact CG-CD 4.2Å; E375-K449 HydrophobicContact CG-CG 4.02Å; E375-K449 PolarHBondContact N-O 3.08Å; E375-K449 PolarHBondContact O-N 2.97Å; E375-K449 WeakPolarHBondContact OE2-CD 3.16Å; E375-K449 WeakPolarHBondContact OE2-CE 3.02Å; E375-K449 IonicContact OE2-NZ 2.74Å; E375-K449 PolarHBondContact OE2-NZ 2.84Å |
| 376 | T | 95.9 | Very high | 90.9 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 165.3 | 178.3 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | L383 L384 F412 G415 I446 I447 | T376-L383 WeakPolarHBondContact O-CD2 3.28Å; T376-L384 HydrophobicContact CG2-CB 3.86Å; T376-L384 PolarHBondContact OG1-N 3.15Å; T376-F412 HydrophobicContact CG2-CD1 4.39Å; T376-F412 HydrophobicContact CG2-CE1 3.87Å; T376-G415 WeakPolarHBondContact CB-O 3.25Å; T376-G415 PolarHBondContact N-O 2.93Å; T376-G415 VanDerWaalsContact OG1-C 3.29Å; T376-G415 WeakPolarHBondContact OG1-CA 3.31Å; T376-G415 PolarHBondContact OG1-O 2.93Å; T376-I446 CarbonylContact C-O 3.58Å; T376-I446 WeakPolarHBondContact CA-O 3.47Å; T376-I446 WeakPolarHBondContact CB-O 3.46Å; T376-I447 HydrophobicContact CG2-CG1 4.23Å |
| 377 | G | 92.1 | Very high | 91 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | trans | 75.1 | 166.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | K381 D382 I446 R448 | G377-K381 CarbonylContact C-O 3.57Å; G377-K381 WeakPolarHBondContact CA-O 3.27Å; G377-D382 VanDerWaalsContact CA-O 3.26Å; G377-D382 WeakPolarHBondContact CA-O 3.23Å; G377-D382 PolarHBondContact N-O 3.04Å; G377-I446 PolarHBondContact N-O 2.83Å; G377-R448 WeakPolarHBondContact O-CD 3.49Å; G377-R448 WeakPolarHBondContact O-CG 3.46Å | ||
| 378 | S | 83.9 | Confident | 91.1 | Very high | 66 Ų | 66 | 38.7 Ų | 38.7 | 46% | 0.462 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -140.9 | 124.5 | 176.8 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | G380 K381 | S378-G380 PolarHBondContact O-N 3Å; S378-K381 PolarHBondContact N-O 3.03Å; S378-K381 PolarHBondContact O-N 3.28Å |
| 379 | G | 74 | Confident | 91.3 | Very high | 84 Ų | 84 | 36.9 Ų | 36.9 | 87% | 0.866 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 29.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K381 | G379-K381 VanDerWaalsContact C-N 3.34Š|
| 380 | G | 78.3 | Confident | 91.5 | Very high | 64 Ų | 64 | 37.4 Ų | 37.4 | 66% | 0.66 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S378 | S378-G380 PolarHBondContact O-N 3Š|
| 381 | K | 86.7 | Confident | 91.8 | Very high | 155 Ų | 155 | 36.2 Ų | 36.2 | 67% | 0.674 | 23% | 0.23 | S | C | * | . | B | Isolated β-bridge | trans | -113.1 | 165.9 | 174.4 | -62 | -176.3 | 179.1 | -177.2 | 0 | 110.9 | G377 S378 G379 L383 | G377-K381 CarbonylContact C-O 3.57Å; G377-K381 WeakPolarHBondContact CA-O 3.27Å; S378-K381 PolarHBondContact N-O 3.03Å; S378-K381 PolarHBondContact O-N 3.28Å; G379-K381 VanDerWaalsContact C-N 3.34Å; K381-L383 PolarHBondContact O-N 2.84Å |
| 382 | D | 92.7 | Very high | 92.1 | Very high | 40 Ų | 40 | 35.9 Ų | 35.9 | 21% | 0.214 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 55.3 | 34.6 | 176.9 | -52.4 | -53.4 | 0 | 0 | 0 | 114.2 | G377 W444 V445 I446 | G377-D382 VanDerWaalsContact CA-O 3.26Å; G377-D382 WeakPolarHBondContact CA-O 3.23Å; G377-D382 PolarHBondContact N-O 3.04Å; D382-W444 CarbonylContact C-O 3.55Å; D382-W444 WeakPolarHBondContact CA-O 3.33Å; D382-W444 WeakPolarHBondContact CB-O 3.01Å; D382-V445 WeakPolarHBondContact O-CA 3.09Å; D382-I446 HydrophobicContact CB-CB 4.19Å; D382-I446 HydrophobicContact CB-CD1 3.97Å; D382-I446 HydrophobicContact CB-CG1 3.78Å; D382-I446 PolarHBondContact O-N 3.25Å |
| 383 | L | 94.8 | Very high | 92.2 | Very high | 49 Ų | 49 | 38.8 Ų | 38.8 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | trans | -74.1 | 150.2 | 176.9 | -65.9 | 165.7 | 0 | 0 | 0 | 110 | T376 K381 D385 Q441 | T376-L383 WeakPolarHBondContact O-CD2 3.28Å; K381-L383 PolarHBondContact O-N 2.84Å; L383-D385 PolarHBondContact O-N 2.89Å; L383-Q441 PolarHBondContact O-NE2 3.05Å; L383-Q441 PolarHBondContact O-OE1 2.8Å | ||
| 384 | L | 95.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | trans | -85.4 | 107.6 | 165.1 | -177 | 60.6 | 0 | 0 | 0 | 108.8 | T376 F412 I435 V437 V445 | T376-L384 HydrophobicContact CG2-CB 3.86Å; T376-L384 PolarHBondContact OG1-N 3.15Å; L384-F412 HydrophobicContact CD2-CD2 4.2Å; L384-F412 HydrophobicContact CD2-CE1 4.5Å; L384-F412 HydrophobicContact CD2-CE2 4.02Å; L384-F412 HydrophobicContact CD2-CZ 4.18Å; L384-I435 HydrophobicContact CD2-CG2 3.71Å; L384-V437 HydrophobicContact CD1-CG1 4.49Å; L384-V437 HydrophobicContact CD1-CG2 4.13Å; L384-V445 HydrophobicContact CB-CG2 3.85Å; L384-V445 HydrophobicContact CD1-CG2 4.35Å | ||
| 385 | D | 88.9 | Confident | 92.2 | Very high | 99 Ų | 99 | 45.2 Ų | 45.2 | 53% | 0.529 | 28% | 0.276 | S | S | . | . | trans | -79.8 | -44.8 | -175.3 | -68 | -40.5 | 0 | 0 | 0 | 111.9 | L383 | L383-D385 PolarHBondContact O-N 2.89Š| ||
| 386 | S | 94.2 | Very high | 92.2 | Very high | 46 Ų | 46 | 47 Ų | 47 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -124.8 | 87.8 | -174.3 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | T438 | S386-T438 PolarHBondContact O-N 3.28Å; S386-T438 PolarHBondContact O-OG1 2.76Å |
| 387 | G | 96.2 | Very high | 92 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 171.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A411 F412 S436 T438 | G387-A411 WeakPolarHBondContact O-CA 3.36Å; G387-F412 VanDerWaalsContact C-CD2 3.49Å; G387-F412 WeakPolarHBondContact O-CD2 3.34Å; G387-F412 PolarHBondContact O-N 2.93Å; G387-S436 CarbonylContact C-O 3.51Å; G387-S436 WeakPolarHBondContact CA-O 3.2Å; G387-T438 PolarHBondContact N-OG1 2.76Å |
| 388 | Q | 97.7 | Very high | 91.7 | Very high | 50 Ų | 50 | 54.7 Ų | 54.7 | 23% | 0.234 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 157.5 | 173.9 | 67.6 | -175.5 | 12.6 | 0 | 0 | 111.7 | E390 S408 G410 I435 S436 T438 | Q388-E390 HydrophobicContact CG-CG 4.11Å; Q388-E390 PolarHBondContact NE2-OE1 2.82Å; Q388-S408 PolarHBondContact OE1-OG 3.17Å; Q388-G410 CarbonylContact C-O 3.56Å; Q388-G410 VanDerWaalsContact CA-O 3.23Å; Q388-G410 WeakPolarHBondContact CA-O 3.23Å; Q388-G410 VanDerWaalsContact CB-O 3.27Å; Q388-G410 WeakPolarHBondContact CB-O 3.43Å; Q388-I435 WeakPolarHBondContact O-CA 3.15Å; Q388-S436 PolarHBondContact N-O 2.86Å; Q388-S436 PolarHBondContact O-N 3.1Å; Q388-T438 HydrophobicContact CB-CG2 4.22Å; Q388-T438 HydrophobicContact CG-CG2 3.76Å |
| 389 | V | 98.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 136.5 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | I372 V374 L409 G410 F412 F417 L433 R434 | I372-V389 HydrophobicContact CD1-CG1 4.34Å; I372-V389 HydrophobicContact CG2-CG1 4.29Å; V374-V389 HydrophobicContact CG2-CG2 4.14Å; V389-L409 WeakPolarHBondContact O-CB 3.38Å; V389-L409 PolarHBondContact O-N 3.29Å; V389-G410 PolarHBondContact N-O 3.45Å; V389-F412 HydrophobicContact CG2-CD2 4.39Å; V389-F412 HydrophobicContact CG2-CE2 3.52Å; V389-F412 HydrophobicContact CG2-CZ 3.77Å; V389-F417 HydrophobicContact CB-CD1 3.87Å; V389-F417 HydrophobicContact CB-CD2 4.15Å; V389-F417 HydrophobicContact CB-CE1 3.8Å; V389-F417 HydrophobicContact CB-CE2 4.09Å; V389-F417 HydrophobicContact CB-CG 4.04Å; V389-F417 HydrophobicContact CB-CZ 3.92Å; V389-F417 HydrophobicContact CG1-CD1 4.23Å; V389-F417 HydrophobicContact CG1-CE1 3.98Å; V389-F417 HydrophobicContact CG1-CZ 4.41Å; V389-F417 HydrophobicContact CG2-CB 3.85Å; V389-F417 HydrophobicContact CG2-CD1 3.54Å; V389-F417 HydrophobicContact CG2-CD2 3.92Å; V389-F417 HydrophobicContact CG2-CE1 4.03Å; V389-F417 HydrophobicContact CG2-CE2 4.37Å; V389-F417 HydrophobicContact CG2-CG 3.48Å; V389-F417 VanDerWaalsContact CG2-CG 3.48Å; V389-F417 HydrophobicContact CG2-CZ 4.43Å; V389-L433 HydrophobicContact CG1-CG 4.33Å; V389-R434 CarbonylContact C-O 3.4Å; V389-R434 WeakPolarHBondContact CA-O 3.41Å |
| 390 | E | 97.8 | Very high | 92.6 | Very high | 13 Ų | 13 | 56 Ų | 56 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 147.5 | -175.1 | -51.4 | 170.2 | 140.9 | 0 | 0 | 110.4 | Q388 F406 Q407 L433 R434 | Q388-E390 HydrophobicContact CG-CG 4.11Å; Q388-E390 PolarHBondContact NE2-OE1 2.82Å; E390-F406 HydrophobicContact CB-CB 4.21Å; E390-F406 HydrophobicContact CB-CD1 4.04Å; E390-Q407 CarbonylContact C-O 3.29Å; E390-Q407 WeakPolarHBondContact CA-O 3.4Å; E390-Q407 WeakPolarHBondContact CB-O 3.48Å; E390-L433 CarbonylContact O-C 3.57Å; E390-L433 WeakPolarHBondContact O-CA 2.99Å; E390-R434 HydrophobicContact CB-CB 4.48Å; E390-R434 PolarHBondContact N-O 3.33Å; E390-R434 PolarHBondContact O-N 2.98Å; E390-R434 IonicContact OE1-NH2 3.61Å; E390-R434 IonicContact OE2-CZ 3.78Å; E390-R434 IonicContact OE2-NE 3.3Å; E390-R434 PolarHBondContact OE2-NE 2.72Å; E390-R434 IonicContact OE2-NH2 2.77Å; E390-R434 PolarHBondContact OE2-NH2 2.66Å |
| 391 | L | 97.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 141.6 | 169 | -71.8 | 176.6 | 0 | 0 | 0 | 109.8 | V369 I372 F406 Q407 L409 V422 C432 L433 | V369-L391 HydrophobicContact CB-CD1 4.32Å; V369-L391 HydrophobicContact CG2-CD1 4.45Å; V369-L391 HydrophobicContact CG2-CD2 4.12Å; I372-L391 HydrophobicContact CD1-CD2 4.2Å; I372-L391 HydrophobicContact CD1-CG 4.43Å; L391-F406 CarbonylContact O-C 3.39Å; L391-F406 VanDerWaalsContact O-CA 3.3Å; L391-F406 WeakPolarHBondContact O-CA 3.44Å; L391-Q407 PolarHBondContact N-O 2.86Å; L391-Q407 PolarHBondContact O-N 3.08Å; L391-L409 HydrophobicContact CD1-CD1 3.83Å; L391-L409 HydrophobicContact CD1-CD2 4.39Å; L391-L409 HydrophobicContact CG-CD1 3.75Å; L391-L409 HydrophobicContact CG-CG 4.34Å; L391-V422 HydrophobicContact CD1-CG1 3.89Å; L391-C432 WeakPolarHBondContact CA-O 3.34Å; L391-L433 HydrophobicContact CD2-CB 4.13Å; L391-L433 HydrophobicContact CD2-CD1 4.46Å; L391-L433 HydrophobicContact CD2-CG 4.43Å |
| 392 | G | 96 | Very high | 93.8 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 156.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T405 S431 C432 | G392-T405 CarbonylContact C-O 3.54Å; G392-T405 WeakPolarHBondContact CA-O 3.17Å; G392-S431 PolarHBondContact O-N 2.79Å; G392-C432 PolarHBondContact N-O 2.77Å; G392-C432 PolarHBondContact O-N 2.95Å |
| 393 | Q | 94.8 | Very high | 94 | Very high | 65 Ų | 65 | 47.4 Ų | 47.4 | 30% | 0.304 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 167.2 | 178.7 | -67 | -176.6 | -24.5 | 0 | 0 | 111.2 | C403 K404 T405 S428 A429 | Q393-C403 WeakPolarHBondContact O-CB 3.38Å; Q393-K404 PolarHBondContact O-N 2.65Å; Q393-K404 VanDerWaalsContact O-N 3.08Å; Q393-T405 PolarHBondContact N-O 3.17Å; Q393-T405 VanDerWaalsContact N-O 3.1Å; Q393-T405 PolarHBondContact O-N 2.89Å; Q393-S428 PolarHBondContact NE2-OG 2.86Å; Q393-A429 PolarHBondContact NE2-O 2.77Å |
| 394 | D | 93 | Very high | 93.9 | Very high | 93 Ų | 93 | 52 Ų | 52 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 59.1 | 79.4 | 179.2 | -52.9 | -44.7 | 0 | 0 | 0 | 112.5 | F396 K404 | D394-F396 PolarHBondContact O-N 2.82Å; D394-K404 HydrophobicContact CB-CB 4.16Å; D394-K404 HydrophobicContact CB-CD 4Å; D394-K404 HydrophobicContact CB-CG 4.25Å; D394-K404 WeakPolarHBondContact O-CG 3.47Å; D394-K404 PolarHBondContact O-N 2.91Å |
| 395 | V | 95 | Very high | 93.9 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 133.7 | 178.1 | -175 | 0 | 0 | 0 | 0 | 110.1 | V362 S402 | V362-V395 HydrophobicContact CG1-CG1 3.94Å; V362-V395 HydrophobicContact CG1-CG2 4.18Å; V395-S402 CarbonylContact C-O 3.59Å; V395-S402 WeakPolarHBondContact CA-O 3.37Å |
| 396 | F | 94.3 | Very high | 94.2 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 158.2 | 169.5 | 78.4 | -81.4 | 0 | 0 | 0 | 110.1 | D394 A398 K401 S402 C403 K404 | D394-F396 PolarHBondContact O-N 2.82Å; F396-A398 HydrophobicContact CD2-CB 4.29Å; F396-A398 HydrophobicContact CE2-CB 3.85Å; F396-K401 WeakPolarHBondContact O-CA 3.24Å; F396-S402 WeakPolarHBondContact CD1-O 3.15Å; F396-S402 PolarHBondContact N-O 3.2Å; F396-S402 PolarHBondContact O-N 2.72Å; F396-S402 VanDerWaalsContact O-O 3.08Å; F396-C403 WeakPolarHBondContact CE1-O 3.38Å; F396-K404 HydrophobicContact CB-CG 4.19Å; F396-K404 HydrophobicContact CD1-CB 4.42Å; F396-K404 HydrophobicContact CD1-CG 3.66Å; F396-K404 HydrophobicContact CE1-CG 4.38Å; F396-K404 HydrophobicContact CG-CG 4.15Å |
| 397 | T | 91.8 | Very high | 94.3 | Very high | 103 Ų | 103 | 55.8 Ų | 55.8 | 63% | 0.632 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 120.6 | 177.1 | -54 | 0 | 0 | 0 | 0 | 108.7 | K401 | T397-K401 HydrophobicContact CG2-CG 4.09Å |
| 398 | A | 84.5 | Confident | 94.3 | Very high | 69 Ų | 69 | 58.4 Ų | 58.4 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -115.5 | -123.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | F396 M400 | F396-A398 HydrophobicContact CD2-CB 4.29Å; F396-A398 HydrophobicContact CE2-CB 3.85Å; A398-M400 VanDerWaalsContact C-N 3.28Å; A398-M400 PolarHBondContact N-O 2.8Å |
| 399 | A | 86.3 | Confident | 94.2 | Very high | 108 Ų | 108 | 57.2 Ų | 57.2 | 89% | 0.893 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -67.7 | -30.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 400 | M | 90.7 | Very high | 94.1 | Very high | 71 Ų | 71 | 58.4 Ų | 58.4 | 35% | 0.35 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -134 | 155.3 | 172.2 | -62.3 | 179.3 | -175 | 0 | 0 | 108.5 | Y326 S327 A398 | Y326-M400 HydrophobicContact CD1-CB 4.01Å; Y326-M400 HydrophobicContact CD1-CG 4.2Å; Y326-M400 HydrophobicContact CG-CB 4.18Å; S327-M400 WeakPolarHBondContact O-CE 3.4Å; A398-M400 VanDerWaalsContact C-N 3.28Å; A398-M400 PolarHBondContact N-O 2.8Å |
| 401 | K | 94 | Very high | 94 | Very high | 64 Ų | 64 | 60.9 Ų | 60.9 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 140.7 | 172.8 | -61.5 | -170.2 | -167.3 | 158.6 | 0 | 110.2 | E324 Y326 V362 F396 T397 | E324-K401 VanDerWaalsContact CD-NZ 3.34Å; E324-K401 IonicContact OE1-NZ 3.95Å; E324-K401 PolarHBondContact OE1-NZ 2.81Å; E324-K401 VanDerWaalsContact OE2-CD 3.25Å; E324-K401 WeakPolarHBondContact OE2-CD 3.4Å; E324-K401 VanDerWaalsContact OE2-CE 3.31Å; E324-K401 WeakPolarHBondContact OE2-CE 3.26Å; E324-K401 IonicContact OE2-NZ 3.53Å; E324-K401 PolarHBondContact OE2-NZ 2.89Å; Y326-K401 HydrophobicContact CD2-CB 4.25Å; Y326-K401 HydrophobicContact CE2-CB 3.71Å; Y326-K401 HydrophobicContact CE2-CD 4.48Å; Y326-K401 HydrophobicContact CE2-CG 4.22Å; V362-K401 HydrophobicContact CG1-CB 4.48Å; V362-K401 HydrophobicContact CG2-CB 4.05Å; F396-K401 WeakPolarHBondContact O-CA 3.24Å; T397-K401 HydrophobicContact CG2-CG 4.09Å |
| 402 | S | 95.8 | Very high | 93.9 | Very high | 10 Ų | 10 | 61.5 Ų | 61.5 | 7% | 0.07 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | -179.7 | 177.5 | -170.3 | 0 | 0 | 0 | 0 | 110.2 | V395 F396 | V395-S402 CarbonylContact C-O 3.59Å; V395-S402 WeakPolarHBondContact CA-O 3.37Å; F396-S402 WeakPolarHBondContact CD1-O 3.15Å; F396-S402 PolarHBondContact N-O 3.2Å; F396-S402 PolarHBondContact O-N 2.72Å; F396-S402 VanDerWaalsContact O-O 3.08Å |
| 403 | C | 96.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.02 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 144.7 | 174.3 | -80.2 | 0 | 0 | 0 | 0 | 111.1 | Q393 F396 F406 C432 | Q393-C403 WeakPolarHBondContact O-CB 3.38Å; F396-C403 WeakPolarHBondContact CE1-O 3.38Å; C403-F406 HydrophobicContact CB-CE1 4.11Å; C403-F406 HydrophobicContact CB-CE2 3.96Å; C403-F406 HydrophobicContact CB-CZ 3.69Å; C403-F406 WeakPolarHBondContact O-CE2 3.39Å; C403-C432 HydrophobicContact CB-CB 3.74Å; C403-C432 WeakPolarHBondContact CB-SG 3.07Å; C403-C432 PolarHBondContact N-SG 2.97Å; C403-C432 WeakPolarHBondContact SG-CB 3.45Å; C403-C432 PolarHBondContact SG-N 3.3Å; C403-C432 VanDerWaalsContact SG-N 3.39Å; C403-C432 CovalentContact SG-SG 2.03Å; C403-C432 PolarHBondContact SG-SG 3.42Å |
| 404 | K | 93.8 | Very high | 93.4 | Very high | 147 Ų | 147 | 73 Ų | 73 | 64% | 0.639 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -39.4 | -177.8 | -68.9 | 176.5 | -173.9 | 173.4 | 0 | 111.8 | Q393 D394 F396 | Q393-K404 PolarHBondContact O-N 2.65Å; Q393-K404 VanDerWaalsContact O-N 3.08Å; D394-K404 HydrophobicContact CB-CB 4.16Å; D394-K404 HydrophobicContact CB-CD 4Å; D394-K404 HydrophobicContact CB-CG 4.25Å; D394-K404 WeakPolarHBondContact O-CG 3.47Å; D394-K404 PolarHBondContact O-N 2.91Å; F396-K404 HydrophobicContact CB-CG 4.19Å; F396-K404 HydrophobicContact CD1-CB 4.42Å; F396-K404 HydrophobicContact CD1-CG 3.66Å; F396-K404 HydrophobicContact CE1-CG 4.38Å; F396-K404 HydrophobicContact CG-CG 4.15Å |
| 405 | T | 95.1 | Very high | 93.3 | Very high | 70 Ų | 70 | 68.7 Ų | 68.7 | 43% | 0.429 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.9 | -177.1 | 55.4 | 0 | 0 | 0 | 0 | 109.3 | G392 Q393 | G392-T405 CarbonylContact C-O 3.54Å; G392-T405 WeakPolarHBondContact CA-O 3.17Å; Q393-T405 PolarHBondContact N-O 3.17Å; Q393-T405 VanDerWaalsContact N-O 3.1Å; Q393-T405 PolarHBondContact O-N 2.89Å |
| 406 | F | 96.2 | Very high | 93.3 | Very high | 48 Ų | 48 | 69.1 Ų | 69.1 | 21% | 0.211 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 137.8 | 176.3 | -75.5 | -84.6 | 0 | 0 | 0 | 110 | T360 E390 L391 C403 C432 R434 | T360-F406 HydrophobicContact CG2-CZ 4.34Å; E390-F406 HydrophobicContact CB-CB 4.21Å; E390-F406 HydrophobicContact CB-CD1 4.04Å; L391-F406 CarbonylContact O-C 3.39Å; L391-F406 VanDerWaalsContact O-CA 3.3Å; L391-F406 WeakPolarHBondContact O-CA 3.44Å; C403-F406 HydrophobicContact CB-CE1 4.11Å; C403-F406 HydrophobicContact CB-CE2 3.96Å; C403-F406 HydrophobicContact CB-CZ 3.69Å; C403-F406 WeakPolarHBondContact O-CE2 3.39Å; F406-C432 HydrophobicContact CE1-CB 4Å; F406-C432 HydrophobicContact CZ-CB 4.28Å; F406-R434 HydrophobicContact CD1-CB 3.93Å; F406-R434 VanDerWaalsContact CD2-NH1 3.35Å; F406-R434 VanDerWaalsContact CD2-NH2 3.29Å; F406-R434 HydrophobicContact CE1-CB 3.43Å; F406-R434 VanDerWaalsContact CE1-CB 3.43Å; F406-R434 HydrophobicContact CE1-CG 4.37Å; F406-R434 VanDerWaalsContact CE2-CZ 3.43Å; F406-R434 VanDerWaalsContact CE2-NH1 3.26Å; F406-R434 VanDerWaalsContact CG-NH2 3.35Å; F406-R434 HydrophobicContact CZ-CB 4Å |
| 407 | Q | 95.3 | Very high | 93.3 | Very high | 107 Ų | 107 | 66 Ų | 66 | 50% | 0.5 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 127.1 | 171.6 | -175.7 | 176.4 | 3.5 | 0 | 0 | 109.2 | E390 L391 H426 | E390-Q407 CarbonylContact C-O 3.29Å; E390-Q407 WeakPolarHBondContact CA-O 3.4Å; E390-Q407 WeakPolarHBondContact CB-O 3.48Å; L391-Q407 PolarHBondContact N-O 2.86Å; L391-Q407 PolarHBondContact O-N 3.08Å; Q407-H426 PolarHBondContact OE1-CD2 3.35Å |
| 408 | S | 96.1 | Very high | 93.4 | Very high | 58 Ų | 58 | 65.5 Ų | 65.5 | 41% | 0.406 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 133 | 177.4 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | Q388 | Q388-S408 PolarHBondContact OE1-OG 3.17Å |
| 409 | L | 95.6 | Very high | 93.7 | Very high | 25 Ų | 25 | 64.3 Ų | 64.3 | 13% | 0.131 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -23.9 | 174.5 | -61.9 | -176.2 | 0 | 0 | 0 | 112.2 | I372 V389 L391 F417 M419 V422 | I372-L409 HydrophobicContact CD1-CD1 3.4Å; I372-L409 VanDerWaalsContact CD1-CD1 3.4Å; V389-L409 WeakPolarHBondContact O-CB 3.38Å; V389-L409 PolarHBondContact O-N 3.29Å; L391-L409 HydrophobicContact CD1-CD1 3.83Å; L391-L409 HydrophobicContact CD1-CD2 4.39Å; L391-L409 HydrophobicContact CG-CD1 3.75Å; L391-L409 HydrophobicContact CG-CG 4.34Å; L409-F417 HydrophobicContact CB-CZ 3.82Å; L409-M419 HydrophobicContact CB-CE 4.42Å; L409-M419 HydrophobicContact CB-SD 4.22Å; L409-M419 WeakPolarHBondContact O-CE 3.26Å; L409-V422 HydrophobicContact CD1-CG1 4.28Å |
| 410 | G | 95.6 | Very high | 93.9 | Very high | 24 Ų | 24 | 68.2 Ų | 68.2 | 25% | 0.247 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.3 | 170.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | Q388 V389 | Q388-G410 CarbonylContact C-O 3.56Å; Q388-G410 VanDerWaalsContact CA-O 3.23Å; Q388-G410 WeakPolarHBondContact CA-O 3.23Å; Q388-G410 VanDerWaalsContact CB-O 3.27Å; Q388-G410 WeakPolarHBondContact CB-O 3.43Å; V389-G410 PolarHBondContact N-O 3.45Å |
| 411 | A | 97 | Very high | 93.7 | Very high | 66 Ų | 66 | 70 Ų | 70 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 157.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G387 | G387-A411 WeakPolarHBondContact O-CA 3.36Å |
| 412 | F | 95 | Very high | 93.6 | Very high | 15 Ų | 15 | 66.9 Ų | 66.9 | 7% | 0.066 | 34% | 0.339 | C | S | . | . | trans | -67.8 | 146.5 | 168.4 | -77.8 | -106.4 | 0 | 0 | 0 | 110.7 | V374 T376 L384 G387 V389 F417 I435 | V374-F412 HydrophobicContact CB-CE1 3.85Å; V374-F412 HydrophobicContact CB-CZ 3.89Å; V374-F412 HydrophobicContact CG1-CE1 3.67Å; V374-F412 HydrophobicContact CG1-CZ 3.68Å; V374-F412 HydrophobicContact CG2-CZ 4.48Å; T376-F412 HydrophobicContact CG2-CD1 4.39Å; T376-F412 HydrophobicContact CG2-CE1 3.87Å; L384-F412 HydrophobicContact CD2-CD2 4.2Å; L384-F412 HydrophobicContact CD2-CE1 4.5Å; L384-F412 HydrophobicContact CD2-CE2 4.02Å; L384-F412 HydrophobicContact CD2-CZ 4.18Å; G387-F412 VanDerWaalsContact C-CD2 3.49Å; G387-F412 WeakPolarHBondContact O-CD2 3.34Å; G387-F412 PolarHBondContact O-N 2.93Å; V389-F412 HydrophobicContact CG2-CD2 4.39Å; V389-F412 HydrophobicContact CG2-CE2 3.52Å; V389-F412 HydrophobicContact CG2-CZ 3.77Å; F412-F417 HydrophobicContact CD1-CB 4.05Å; F412-F417 HydrophobicContact CD2-CB 4.44Å; F412-F417 HydrophobicContact CE1-CB 3.98Å; F412-F417 HydrophobicContact CE2-CB 4.4Å; F412-F417 HydrophobicContact CG-CB 4.29Å; F412-F417 HydrophobicContact CZ-CB 4.17Å; F412-I435 HydrophobicContact CE2-CG2 3.85Å; F412-I435 HydrophobicContact CZ-CG1 4.32Å; F412-I435 HydrophobicContact CZ-CG2 3.88Å | ||
| 413 | M | 92 | Very high | 93.3 | Very high | 150 Ų | 150 | 67.7 Ų | 67.7 | 74% | 0.739 | 34% | 0.343 | S | S | * | . | B | Isolated β-bridge | trans | -125.3 | 117.6 | 170.8 | -65.1 | -172.2 | 70.4 | 0 | 0 | 108.7 | G415 K416 | M413-G415 VanDerWaalsContact C-N 3.27Å; M413-G415 PolarHBondContact O-N 2.84Å; M413-K416 PolarHBondContact N-O 2.87Å; M413-K416 PolarHBondContact O-N 2.96Å |
| 414 | N | 88.2 | Confident | 92.9 | Very high | 156 Ų | 156 | 74.4 Ų | 74.4 | 83% | 0.834 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 45.8 | -178.2 | -59.9 | -30.5 | 0 | 0 | 0 | 112.8 | K416 | N414-K416 PolarHBondContact O-N 2.8Š|
| 415 | G | 91.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 73.8 Ų | 73.8 | 3% | 0.031 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 12.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | T376 M413 | T376-G415 WeakPolarHBondContact CB-O 3.25Å; T376-G415 PolarHBondContact N-O 2.93Å; T376-G415 VanDerWaalsContact OG1-C 3.29Å; T376-G415 WeakPolarHBondContact OG1-CA 3.31Å; T376-G415 PolarHBondContact OG1-O 2.93Å; M413-G415 VanDerWaalsContact C-N 3.27Å; M413-G415 PolarHBondContact O-N 2.84Å |
| 416 | K | 94.1 | Very high | 91.9 | Very high | 77 Ų | 77 | 71 Ų | 71 | 34% | 0.335 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 142.4 | 176 | -175.3 | 174.2 | 174 | 179.7 | 0 | 111.6 | L373 V374 E375 M413 N414 E418 | L373-K416 HydrophobicContact CD1-CD 4.39Å; L373-K416 HydrophobicContact CD1-CG 4.35Å; V374-K416 WeakPolarHBondContact O-CA 3.33Å; E375-K416 HydrophobicContact CG-CG 4.37Å; M413-K416 PolarHBondContact N-O 2.87Å; M413-K416 PolarHBondContact O-N 2.96Å; N414-K416 PolarHBondContact O-N 2.8Å; K416-E418 VanDerWaalsContact CE-OE2 3.24Å; K416-E418 WeakPolarHBondContact CE-OE2 3.24Å; K416-E418 IonicContact NZ-OE2 3.31Å; K416-E418 PolarHBondContact NZ-OE2 2.87Å |
| 417 | F | 95.5 | Very high | 91.4 | Very high | 13 Ų | 13 | 73.1 Ų | 73.1 | 6% | 0.057 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.4 | 165.2 | 178.2 | -88.5 | 0 | 0 | 0 | 108.4 | I372 L373 V374 V389 L409 F412 M419 | I372-F417 HydrophobicContact CB-CE1 4.14Å; I372-F417 HydrophobicContact CG2-CD1 4Å; I372-F417 HydrophobicContact CG2-CE1 3.99Å; L373-F417 CarbonylContact C-O 3.52Å; L373-F417 WeakPolarHBondContact CA-O 3.43Å; V374-F417 HydrophobicContact CB-CB 4.34Å; V374-F417 PolarHBondContact N-O 2.84Å; V374-F417 PolarHBondContact O-N 2.65Å; V389-F417 HydrophobicContact CB-CD1 3.87Å; V389-F417 HydrophobicContact CB-CD2 4.15Å; V389-F417 HydrophobicContact CB-CE1 3.8Å; V389-F417 HydrophobicContact CB-CE2 4.09Å; V389-F417 HydrophobicContact CB-CG 4.04Å; V389-F417 HydrophobicContact CB-CZ 3.92Å; V389-F417 HydrophobicContact CG1-CD1 4.23Å; V389-F417 HydrophobicContact CG1-CE1 3.98Å; V389-F417 HydrophobicContact CG1-CZ 4.41Å; V389-F417 HydrophobicContact CG2-CB 3.85Å; V389-F417 HydrophobicContact CG2-CD1 3.54Å; V389-F417 HydrophobicContact CG2-CD2 3.92Å; V389-F417 HydrophobicContact CG2-CE1 4.03Å; V389-F417 HydrophobicContact CG2-CE2 4.37Å; V389-F417 HydrophobicContact CG2-CG 3.48Å; V389-F417 VanDerWaalsContact CG2-CG 3.48Å; V389-F417 HydrophobicContact CG2-CZ 4.43Å; L409-F417 HydrophobicContact CB-CZ 3.82Å; F412-F417 HydrophobicContact CD1-CB 4.05Å; F412-F417 HydrophobicContact CD2-CB 4.44Å; F412-F417 HydrophobicContact CE1-CB 3.98Å; F412-F417 HydrophobicContact CE2-CB 4.4Å; F412-F417 HydrophobicContact CG-CB 4.29Å; F412-F417 HydrophobicContact CZ-CB 4.17Å; F417-M419 HydrophobicContact CE1-CB 3.89Å; F417-M419 HydrophobicContact CZ-CB 3.92Å; F417-M419 HydrophobicContact CZ-CE 4.44Å |
| 418 | E | 93.9 | Very high | 91.1 | Very high | 91 Ų | 91 | 70.6 Ų | 70.6 | 43% | 0.425 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 126.6 | 173.8 | -174.2 | 176.8 | 168.8 | 0 | 0 | 109.2 | I372 L373 K416 R420 | I372-E418 CarbonylContact O-C 3.55Å; I372-E418 WeakPolarHBondContact O-CA 3.09Å; L373-E418 HydrophobicContact CD1-CB 4.2Å; L373-E418 HydrophobicContact CD1-CG 4.38Å; K416-E418 VanDerWaalsContact CE-OE2 3.24Å; K416-E418 WeakPolarHBondContact CE-OE2 3.24Å; K416-E418 IonicContact NZ-OE2 3.31Å; K416-E418 PolarHBondContact NZ-OE2 2.87Å; E418-R420 IonicContact OE1-CZ 2.66Å; E418-R420 IonicContact OE1-NE 3.06Å; E418-R420 PolarHBondContact OE1-NE 2.83Å; E418-R420 IonicContact OE1-NH2 3.64Å; E418-R420 PolarHBondContact OE1-NH2 2.85Å; E418-R420 VanDerWaalsContact OE1-NH2 3.08Å |
| 419 | M | 91 | Very high | 90.9 | Very high | 44 Ų | 44 | 69.7 Ų | 69.7 | 22% | 0.217 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 134.1 | 174.6 | -174 | 175.9 | -87 | 0 | 0 | 109.3 | G371 I372 L409 F417 V422 L425 | G371-M419 CarbonylContact C-O 3.55Å; G371-M419 VanDerWaalsContact CA-O 3.29Å; G371-M419 WeakPolarHBondContact CA-O 3.27Å; I372-M419 PolarHBondContact N-O 2.83Å; I372-M419 PolarHBondContact O-N 2.9Å; L409-M419 HydrophobicContact CB-CE 4.42Å; L409-M419 HydrophobicContact CB-SD 4.22Å; L409-M419 WeakPolarHBondContact O-CE 3.26Å; F417-M419 HydrophobicContact CE1-CB 3.89Å; F417-M419 HydrophobicContact CZ-CB 3.92Å; F417-M419 HydrophobicContact CZ-CE 4.44Å; M419-V422 HydrophobicContact CB-CG2 4.12Å; M419-V422 HydrophobicContact CG-CG2 3.75Å; M419-V422 HydrophobicContact SD-CG2 4Å; M419-L425 HydrophobicContact SD-CD1 4.42Å |
| 420 | R | 89.8 | Confident | 90.9 | Very high | 190 Ų | 190 | 68.5 Ų | 68.5 | 72% | 0.717 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 161.7 | 175.8 | -60.6 | -176.4 | -174.1 | -157.5 | -3.3 | 109.6 | T370 E418 V422 | T370-R420 CarbonylContact O-C 3.55Å; E418-R420 IonicContact OE1-CZ 2.66Å; E418-R420 IonicContact OE1-NE 3.06Å; E418-R420 PolarHBondContact OE1-NE 2.83Å; E418-R420 IonicContact OE1-NH2 3.64Å; E418-R420 PolarHBondContact OE1-NH2 2.85Å; E418-R420 VanDerWaalsContact OE1-NH2 3.08Å; R420-V422 PolarHBondContact O-N 2.83Å |
| 421 | E | 86.6 | Confident | 91 | Very high | 108 Ų | 108 | 68.1 Ų | 68.1 | 51% | 0.505 | 36% | 0.355 | S | S | . | . | trans | 55.2 | 36.3 | -179.1 | -47.5 | -170.9 | 136.6 | 0 | 0 | 112.4 | T370 D423 K424 | T370-E421 WeakPolarHBondContact O-CA 3.46Å; T370-E421 PolarHBondContact O-N 2.88Å; E421-D423 PolarHBondContact O-N 2.86Å; E421-D423 VanDerWaalsContact O-N 3.16Å; E421-K424 HydrophobicContact CB-CD 3.92Å; E421-K424 HydrophobicContact CB-CG 4.13Å; E421-K424 VanDerWaalsContact CD-CE 3.49Å; E421-K424 WeakPolarHBondContact O-CB 3.23Å; E421-K424 PolarHBondContact O-N 2.92Å; E421-K424 WeakPolarHBondContact OE1-CE 3.33Å; E421-K424 IonicContact OE1-NZ 2.74Å; E421-K424 PolarHBondContact OE1-NZ 3.33Å; E421-K424 WeakPolarHBondContact OE2-CE 3.48Å; E421-K424 IonicContact OE2-NZ 2.7Å; E421-K424 PolarHBondContact OE2-NZ 3.02Å | ||
| 422 | V | 91.1 | Very high | 91 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55.7 | -33.9 | -179.8 | 176.1 | 0 | 0 | 0 | 0 | 110.4 | V369 T370 I372 L391 L409 M419 R420 K424 L425 H426 | V369-V422 HydrophobicContact CB-CG1 4.41Å; V369-V422 HydrophobicContact CG1-CB 4.46Å; V369-V422 HydrophobicContact CG1-CG1 4.36Å; V369-V422 WeakPolarHBondContact O-CB 3.41Å; T370-V422 PolarHBondContact O-N 3.18Å; I372-V422 HydrophobicContact CD1-CG2 4.46Å; I372-V422 HydrophobicContact CG1-CG2 4.37Å; L391-V422 HydrophobicContact CD1-CG1 3.89Å; L409-V422 HydrophobicContact CD1-CG1 4.28Å; M419-V422 HydrophobicContact CB-CG2 4.12Å; M419-V422 HydrophobicContact CG-CG2 3.75Å; M419-V422 HydrophobicContact SD-CG2 4Å; R420-V422 PolarHBondContact O-N 2.83Å; V422-K424 PolarHBondContact O-N 2.97Å; V422-L425 PolarHBondContact O-N 3.24Å; V422-H426 HydrophobicContact CG1-CB 4.4Å; V422-H426 PolarHBondContact O-N 2.81Å |
| 423 | D | 90.5 | Very high | 91.2 | Very high | 27 Ų | 27 | 64.3 Ų | 64.3 | 14% | 0.144 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.3 | -18.5 | 179.4 | 66.4 | -59.8 | 0 | 0 | 0 | 114.2 | V368 V369 T370 E421 H426 S427 K455 | V368-D423 HydrophobicContact CG1-CB 3.96Å; V369-D423 PolarHBondContact O-N 3.02Å; T370-D423 HydrophobicContact CG2-CB 4.1Å; E421-D423 PolarHBondContact O-N 2.86Å; E421-D423 VanDerWaalsContact O-N 3.16Å; D423-H426 WeakPolarHBondContact CA-O 3.34Å; D423-S427 VanDerWaalsContact O-CA 3.26Å; D423-S427 WeakPolarHBondContact O-CA 3.29Å; D423-S427 WeakPolarHBondContact O-CB 3.2Å; D423-S427 PolarHBondContact O-N 2.88Å; D423-K455 WeakPolarHBondContact OD2-CE 3.43Å; D423-K455 IonicContact OD2-NZ 2.74Å; D423-K455 PolarHBondContact OD2-NZ 2.03Å |
| 424 | K | 88.4 | Confident | 91.5 | Very high | 144 Ų | 144 | 59.6 Ų | 59.6 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -76.3 | -29.7 | 172.3 | -64.8 | -174 | -174.3 | 170.8 | 0 | 112.3 | E421 V422 | E421-K424 HydrophobicContact CB-CD 3.92Å; E421-K424 HydrophobicContact CB-CG 4.13Å; E421-K424 VanDerWaalsContact CD-CE 3.49Å; E421-K424 WeakPolarHBondContact O-CB 3.23Å; E421-K424 PolarHBondContact O-N 2.92Å; E421-K424 WeakPolarHBondContact OE1-CE 3.33Å; E421-K424 IonicContact OE1-NZ 2.74Å; E421-K424 PolarHBondContact OE1-NZ 3.33Å; E421-K424 WeakPolarHBondContact OE2-CE 3.48Å; E421-K424 IonicContact OE2-NZ 2.7Å; E421-K424 PolarHBondContact OE2-NZ 3.02Å; V422-K424 PolarHBondContact O-N 2.97Å |
| 425 | L | 83.7 | Confident | 92 | Very high | 133 Ų | 133 | 52.3 Ų | 52.3 | 70% | 0.696 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -93.7 | -32.4 | 177.6 | -64.7 | 172.8 | 0 | 0 | 0 | 111.7 | M419 V422 | M419-L425 HydrophobicContact SD-CD1 4.42Å; V422-L425 PolarHBondContact O-N 3.24Å |
| 426 | H | 84 | Confident | 92.3 | Very high | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | trans | -137 | 81.3 | -176.1 | -165.4 | -52.6 | 0 | 0 | 0 | 109.8 | Q407 V422 D423 S428 | Q407-H426 PolarHBondContact OE1-CD2 3.35Å; V422-H426 HydrophobicContact CG1-CB 4.4Å; V422-H426 PolarHBondContact O-N 2.81Å; D423-H426 WeakPolarHBondContact CA-O 3.34Å; H426-S428 VanDerWaalsContact C-N 3.33Å; H426-S428 PolarHBondContact CE1-OG 2.79Å; H426-S428 PolarHBondContact ND1-O 3.39Å; H426-S428 PolarHBondContact ND1-OG 3.47Å; H426-S428 PolarHBondContact O-N 3.05Å | ||
| 427 | S | 84.9 | Confident | 92.5 | Very high | 93 Ų | 93 | 49.5 Ų | 49.5 | 65% | 0.65 | 25% | 0.25 | S | S | * | . | trans | -76.2 | -18.2 | -174.2 | 58.9 | 0 | 0 | 0 | 0 | 114.5 | D423 | D423-S427 VanDerWaalsContact O-CA 3.26Å; D423-S427 WeakPolarHBondContact O-CA 3.29Å; D423-S427 WeakPolarHBondContact O-CB 3.2Å; D423-S427 PolarHBondContact O-N 2.88Å | ||
| 428 | S | 88.1 | Confident | 92.5 | Very high | 54 Ų | 54 | 51.4 Ų | 51.4 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -77.8 | 148.5 | 180 | 51.4 | 0 | 0 | 0 | 0 | 112 | Q393 H426 S430 | Q393-S428 PolarHBondContact NE2-OG 2.86Å; H426-S428 VanDerWaalsContact C-N 3.33Å; H426-S428 PolarHBondContact CE1-OG 2.79Å; H426-S428 PolarHBondContact ND1-O 3.39Å; H426-S428 PolarHBondContact ND1-OG 3.47Å; H426-S428 PolarHBondContact O-N 3.05Å; S428-S430 PolarHBondContact O-N 2.91Å |
| 429 | A | 93.2 | Very high | 92.6 | Very high | 39 Ų | 39 | 49 Ų | 49 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | trans | -62.5 | 136.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | P366 V367 V368 Q393 | P366-A429 HydrophobicContact CB-CB 3.93Å; V367-A429 CarbonylContact O-C 3.6Å; V367-A429 WeakPolarHBondContact O-CA 3.46Å; V368-A429 HydrophobicContact CG2-CB 4.15Å; Q393-A429 PolarHBondContact NE2-O 2.77Å | ||
| 430 | S | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 145 | 176.4 | -61.3 | 0 | 0 | 0 | 0 | 109.3 | F363 P366 V367 S428 | F363-S430 VanDerWaalsContact CD2-O 3.32Å; F363-S430 WeakPolarHBondContact CD2-O 3.16Å; P366-S430 CarbonylContact C-O 3.55Å; P366-S430 VanDerWaalsContact CA-O 3.32Å; P366-S430 WeakPolarHBondContact CA-O 3.28Å; V367-S430 PolarHBondContact N-O 3.47Å; V367-S430 PolarHBondContact O-N 3.07Å; S428-S430 PolarHBondContact O-N 2.91Å |
| 431 | S | 97.3 | Very high | 92.9 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 11% | 0.112 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -19.8 | 177.5 | -44.6 | 0 | 0 | 0 | 0 | 112.4 | F363 G392 | F363-S431 VanDerWaalsContact CD2-C 3.43Å; F363-S431 WeakPolarHBondContact CD2-O 3.35Å; F363-S431 PolarHBondContact N-O 3.46Å; G392-S431 PolarHBondContact O-N 2.79Å |
| 432 | C | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 154.3 | 175.7 | -47.7 | 0 | 0 | 0 | 0 | 112.6 | T360 V361 L391 G392 C403 F406 | T360-C432 HydrophobicContact CG2-CB 4.05Å; V361-C432 CarbonylContact O-C 3.53Å; V361-C432 WeakPolarHBondContact O-CA 3.32Å; V361-C432 WeakPolarHBondContact O-CB 3.36Å; L391-C432 WeakPolarHBondContact CA-O 3.34Å; G392-C432 PolarHBondContact N-O 2.77Å; G392-C432 PolarHBondContact O-N 2.95Å; C403-C432 HydrophobicContact CB-CB 3.74Å; C403-C432 WeakPolarHBondContact CB-SG 3.07Å; C403-C432 PolarHBondContact N-SG 2.97Å; C403-C432 WeakPolarHBondContact SG-CB 3.45Å; C403-C432 PolarHBondContact SG-N 3.3Å; C403-C432 VanDerWaalsContact SG-N 3.39Å; C403-C432 CovalentContact SG-SG 2.03Å; C403-C432 PolarHBondContact SG-SG 3.42Å; F406-C432 HydrophobicContact CE1-CB 4Å; F406-C432 HydrophobicContact CZ-CB 4.28Å |
| 433 | L | 98 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.4 | 160.7 | 177 | 155.3 | 0 | 0 | 0 | 108 | T360 V361 F363 I372 V389 E390 L391 I435 I450 I452 | T360-L433 CarbonylContact C-O 3.56Å; T360-L433 WeakPolarHBondContact CA-O 3.22Å; V361-L433 HydrophobicContact CB-CB 4.35Å; V361-L433 HydrophobicContact CG2-CD2 4.38Å; V361-L433 PolarHBondContact N-O 3.11Å; V361-L433 PolarHBondContact O-N 3.1Å; F363-L433 HydrophobicContact CZ-CB 3.92Å; I372-L433 HydrophobicContact CD1-CD1 3.88Å; I372-L433 HydrophobicContact CG1-CD1 4.16Å; I372-L433 HydrophobicContact CG2-CD1 4Å; V389-L433 HydrophobicContact CG1-CG 4.33Å; E390-L433 CarbonylContact O-C 3.57Å; E390-L433 WeakPolarHBondContact O-CA 2.99Å; L391-L433 HydrophobicContact CD2-CB 4.13Å; L391-L433 HydrophobicContact CD2-CD1 4.46Å; L391-L433 HydrophobicContact CD2-CG 4.43Å; L433-I435 HydrophobicContact CD2-CG1 4.39Å; L433-I450 HydrophobicContact CD2-CG2 4.19Å; L433-I452 HydrophobicContact CD1-CG2 3.71Å |
| 434 | R | 98.2 | Very high | 93.5 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 132.3 | 178.7 | -175.5 | 169.4 | 66.8 | 178.9 | 2.5 | 111.2 | L359 V389 E390 F406 | L359-R434 WeakPolarHBondContact O-CA 3.11Å; V389-R434 CarbonylContact C-O 3.4Å; V389-R434 WeakPolarHBondContact CA-O 3.41Å; E390-R434 HydrophobicContact CB-CB 4.48Å; E390-R434 PolarHBondContact N-O 3.33Å; E390-R434 PolarHBondContact O-N 2.98Å; E390-R434 IonicContact OE1-NH2 3.61Å; E390-R434 IonicContact OE2-CZ 3.78Å; E390-R434 IonicContact OE2-NE 3.3Å; E390-R434 PolarHBondContact OE2-NE 2.72Å; E390-R434 IonicContact OE2-NH2 2.77Å; E390-R434 PolarHBondContact OE2-NH2 2.66Å; F406-R434 HydrophobicContact CD1-CB 3.93Å; F406-R434 VanDerWaalsContact CD2-NH1 3.35Å; F406-R434 VanDerWaalsContact CD2-NH2 3.29Å; F406-R434 HydrophobicContact CE1-CB 3.43Å; F406-R434 VanDerWaalsContact CE1-CB 3.43Å; F406-R434 HydrophobicContact CE1-CG 4.37Å; F406-R434 VanDerWaalsContact CE2-CZ 3.43Å; F406-R434 VanDerWaalsContact CE2-NH1 3.26Å; F406-R434 VanDerWaalsContact CG-NH2 3.35Å; F406-R434 HydrophobicContact CZ-CB 4Å |
| 435 | I | 98.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 114.1 | 162.7 | -61.9 | 165.9 | 0 | 0 | 0 | 105.6 | Y358 L359 V374 L384 Q388 F412 L433 I447 I450 | Y358-I435 CarbonylContact C-O 3.54Å; Y358-I435 WeakPolarHBondContact CA-O 3.35Å; Y358-I435 WeakPolarHBondContact CB-O 3.32Å; L359-I435 PolarHBondContact N-O 2.84Å; L359-I435 PolarHBondContact O-N 2.96Å; V374-I435 HydrophobicContact CG1-CD1 3.63Å; V374-I435 HydrophobicContact CG1-CG1 4.45Å; V374-I435 HydrophobicContact CG2-CD1 4.29Å; L384-I435 HydrophobicContact CD2-CG2 3.71Å; Q388-I435 WeakPolarHBondContact O-CA 3.15Å; F412-I435 HydrophobicContact CE2-CG2 3.85Å; F412-I435 HydrophobicContact CZ-CG1 4.32Å; F412-I435 HydrophobicContact CZ-CG2 3.88Å; L433-I435 HydrophobicContact CD2-CG1 4.39Å; I435-I447 HydrophobicContact CD1-CD1 3.98Å; I435-I447 HydrophobicContact CD1-CG2 4.14Å; I435-I447 HydrophobicContact CG2-CD1 4.47Å; I435-I450 HydrophobicContact CD1-CD1 3.73Å; I435-I450 HydrophobicContact CD1-CG1 4.01Å |
| 436 | S | 97.7 | Very high | 94.5 | Very high | 17 Ų | 17 | 39.8 Ų | 39.8 | 12% | 0.119 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.1 | -177 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | G387 Q388 | G387-S436 CarbonylContact C-O 3.51Å; G387-S436 WeakPolarHBondContact CA-O 3.2Å; Q388-S436 PolarHBondContact N-O 2.86Å; Q388-S436 PolarHBondContact O-N 3.1Å |
| 437 | V | 97.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 115.6 | 178.6 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | I329 P353 E354 G356 D357 L384 A439 | I329-V437 HydrophobicContact CD1-CG2 4.33Å; P353-V437 HydrophobicContact CB-CG1 4.24Å; P353-V437 HydrophobicContact CB-CG2 3.98Å; E354-V437 WeakPolarHBondContact O-CB 2.97Å; E354-V437 VanDerWaalsContact O-CG1 3.23Å; E354-V437 WeakPolarHBondContact O-CG1 3.47Å; G356-V437 PolarHBondContact N-O 2.81Å; D357-V437 HydrophobicContact CB-CB 4.18Å; D357-V437 HydrophobicContact CB-CG2 3.99Å; D357-V437 WeakPolarHBondContact O-CB 3.47Å; D357-V437 WeakPolarHBondContact O-CG2 3.22Å; D357-V437 PolarHBondContact O-N 2.81Å; L384-V437 HydrophobicContact CD1-CG1 4.49Å; L384-V437 HydrophobicContact CD1-CG2 4.13Å; V437-A439 VanDerWaalsContact CG1-O 3.23Å; V437-A439 WeakPolarHBondContact CG1-O 3.44Å |
| 438 | T | 96.6 | Very high | 95.4 | Very high | 53 Ų | 53 | 39 Ų | 39 | 33% | 0.325 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -92.3 | -22.3 | -172.4 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | R355 S386 G387 Q388 | R355-T438 WeakPolarHBondContact CG-O 3.5Å; S386-T438 PolarHBondContact O-N 3.28Å; S386-T438 PolarHBondContact O-OG1 2.76Å; G387-T438 PolarHBondContact N-OG1 2.76Å; Q388-T438 HydrophobicContact CB-CG2 4.22Å; Q388-T438 HydrophobicContact CG-CG2 3.76Å |
| 439 | A | 96.4 | Very high | 95.4 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 33% | 0.331 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -146.2 | 146.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V437 | V437-A439 VanDerWaalsContact CG1-O 3.23Å; V437-A439 WeakPolarHBondContact CG1-O 3.44Å |
| 440 | G | 93.3 | Very high | 95.4 | Very high | 50 Ų | 50 | 35.3 Ų | 35.3 | 52% | 0.515 | 18% | 0.184 | S | C | . | . | trans | -71.8 | 150 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P353 | P353-G440 VanDerWaalsContact O-CA 3.27Å; P353-G440 WeakPolarHBondContact O-CA 3.19Å | ||
| 441 | Q | 93.9 | Very high | 95.1 | Very high | 23 Ų | 23 | 35.8 Ų | 35.8 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | trans | -133.7 | 148.3 | 176.3 | 56.8 | 178.8 | 81 | 0 | 0 | 111.2 | P353 L383 D443 | P353-Q441 HydrophobicContact CG-CG 3.69Å; P353-Q441 PolarHBondContact O-N 2.7Å; L383-Q441 PolarHBondContact O-NE2 3.05Å; L383-Q441 PolarHBondContact O-OE1 2.8Å; Q441-D443 PolarHBondContact NE2-O 3.26Å | ||
| 442 | K | 91.4 | Very high | 94.7 | Very high | 188 Ų | 188 | 35.2 Ų | 35.2 | 82% | 0.817 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -75.6 | -36.7 | 179.2 | -68.9 | -174.8 | 179 | 179.5 | 0 | 111.8 | S352 | S352-K442 WeakPolarHBondContact CB-O 3.48Å; S352-K442 PolarHBondContact OG-O 3.23Å |
| 443 | D | 92.8 | Very high | 94.2 | Very high | 105 Ų | 105 | 38.1 Ų | 38.1 | 56% | 0.561 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -68.9 | 150 | 179.8 | -64.5 | -40.5 | 0 | 0 | 0 | 110.8 | Q441 | Q441-D443 PolarHBondContact NE2-O 3.26Š|
| 444 | W | 95.6 | Very high | 93.7 | Very high | 75 Ų | 75 | 40.7 Ų | 40.7 | 28% | 0.284 | 22% | 0.215 | S | C | . | . | trans | -68.2 | 169.5 | 175 | -69.1 | 13.8 | 0 | 0 | 0 | 109.9 | Y332 W349 G350 R351 D382 | Y332-W444 HydrophobicContact CD1-CZ3 4.18Å; Y332-W444 HydrophobicContact CD2-CE3 4.34Å; Y332-W444 AromaticContact CD2-CH2 3.36Å; Y332-W444 HydrophobicContact CD2-CH2 3.36Å; Y332-W444 AromaticContact CD2-CZ3 3.24Å; Y332-W444 HydrophobicContact CD2-CZ3 3.24Å; Y332-W444 HydrophobicContact CE1-CZ3 4.42Å; Y332-W444 AromaticContact CE2-CH2 3.52Å; Y332-W444 HydrophobicContact CE2-CH2 3.52Å; Y332-W444 AromaticContact CE2-CZ3 3.59Å; Y332-W444 HydrophobicContact CE2-CZ3 3.59Å; Y332-W444 HydrophobicContact CG-CE3 4.38Å; Y332-W444 HydrophobicContact CG-CH2 4.17Å; Y332-W444 AromaticContact CG-CZ3 3.59Å; Y332-W444 HydrophobicContact CG-CZ3 3.59Å; W349-W444 HydrophobicContact CD2-CE3 4.36Å; W349-W444 AromaticContact CE2-CE3 3.59Å; W349-W444 HydrophobicContact CH2-CZ3 4.41Å; W349-W444 AromaticContact CZ2-CE3 3.73Å; W349-W444 HydrophobicContact CZ2-CE3 3.73Å; W349-W444 AromaticContact CZ2-CZ3 3.95Å; W349-W444 HydrophobicContact CZ2-CZ3 3.95Å; W349-W444 AromaticContact NE1-CE3 3.54Å; G350-W444 WeakPolarHBondContact O-CB 3.2Å; R351-W444 HydrophobicContact CB-CD2 4.43Å; R351-W444 HydrophobicContact CG-CD2 4.09Å; R351-W444 HydrophobicContact CG-CE3 4.39Å; R351-W444 HydrophobicContact CG-CH2 4.37Å; R351-W444 HydrophobicContact CG-CZ2 4.01Å; D382-W444 CarbonylContact C-O 3.55Å; D382-W444 WeakPolarHBondContact CA-O 3.33Å; D382-W444 WeakPolarHBondContact CB-O 3.01Å | ||
| 445 | V | 96.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 126.8 | -180 | 65.6 | 0 | 0 | 0 | 0 | 110.3 | I329 W349 G350 P353 D382 L384 I447 | I329-V445 HydrophobicContact CG2-CG1 4.4Å; W349-V445 WeakPolarHBondContact CA-O 3.3Å; G350-V445 PolarHBondContact N-O 3.16Å; G350-V445 PolarHBondContact O-N 2.98Å; P353-V445 HydrophobicContact CB-CG1 4.5Å; P353-V445 HydrophobicContact CG-CB 4.13Å; P353-V445 HydrophobicContact CG-CG1 3.89Å; D382-V445 WeakPolarHBondContact O-CA 3.09Å; L384-V445 HydrophobicContact CB-CG2 3.85Å; L384-V445 HydrophobicContact CD1-CG2 4.35Å; V445-I447 HydrophobicContact CG2-CG1 4.28Å |
| 446 | I | 97.1 | Very high | 91.1 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119.3 | 166.4 | -67.6 | 173.3 | 0 | 0 | 0 | 107.2 | F347 F348 W349 T376 G377 D382 R448 | F347-I446 HydrophobicContact CB-CG2 4.13Å; F347-I446 HydrophobicContact CD2-CG1 4.41Å; F347-I446 HydrophobicContact CD2-CG2 3.69Å; F347-I446 HydrophobicContact CE2-CD1 4.36Å; F347-I446 HydrophobicContact CE2-CG1 4.4Å; F347-I446 HydrophobicContact CE2-CG2 4.35Å; F347-I446 HydrophobicContact CG-CG2 4.1Å; F348-I446 CarbonylContact O-C 3.56Å; F348-I446 VanDerWaalsContact O-CA 3.32Å; F348-I446 WeakPolarHBondContact O-CA 3.01Å; W349-I446 VanDerWaalsContact CD1-CG1 3.4Å; W349-I446 HydrophobicContact CD2-CG1 4.35Å; W349-I446 HydrophobicContact CG-CG1 3.88Å; T376-I446 CarbonylContact C-O 3.58Å; T376-I446 WeakPolarHBondContact CA-O 3.47Å; T376-I446 WeakPolarHBondContact CB-O 3.46Å; G377-I446 PolarHBondContact N-O 2.83Å; D382-I446 HydrophobicContact CB-CB 4.19Å; D382-I446 HydrophobicContact CB-CD1 3.97Å; D382-I446 HydrophobicContact CB-CG1 3.78Å; D382-I446 PolarHBondContact O-N 3.25Å; I446-R448 HydrophobicContact CG2-CG 3.76Å |
| 447 | I | 96.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 102.4 | 164.2 | -55.7 | 177.3 | 0 | 0 | 0 | 106.1 | A340 F348 L359 V374 T376 I435 V445 I450 | A340-I447 HydrophobicContact CB-CB 4.27Å; A340-I447 HydrophobicContact CB-CG2 3.97Å; A340-I447 VanDerWaalsContact CB-O 3.31Å; A340-I447 WeakPolarHBondContact CB-O 3.4Å; F348-I447 HydrophobicContact CB-CB 4.23Å; F348-I447 HydrophobicContact CD1-CB 4.3Å; F348-I447 HydrophobicContact CD1-CD1 3.88Å; F348-I447 HydrophobicContact CD1-CG1 4.08Å; F348-I447 HydrophobicContact CE1-CD1 4.45Å; F348-I447 PolarHBondContact N-O 2.7Å; F348-I447 PolarHBondContact O-N 3.47Å; L359-I447 HydrophobicContact CB-CD1 4.26Å; L359-I447 HydrophobicContact CD1-CD1 3.84Å; V374-I447 HydrophobicContact CG1-CG2 4.14Å; T376-I447 HydrophobicContact CG2-CG1 4.23Å; I435-I447 HydrophobicContact CD1-CD1 3.98Å; I435-I447 HydrophobicContact CD1-CG2 4.14Å; I435-I447 HydrophobicContact CG2-CD1 4.47Å; V445-I447 HydrophobicContact CG2-CG1 4.28Å; I447-I450 HydrophobicContact CG2-CD1 4.22Å; I447-I450 HydrophobicContact CG2-CG1 3.89Å |
| 448 | R | 90.2 | Very high | 84.9 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 33% | 0.328 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -46.4 | -173.5 | -93.4 | -179.7 | 66.8 | -163.7 | 1.6 | 111.9 | E375 G377 I446 | E375-R448 WeakPolarHBondContact O-CB 3.38Å; E375-R448 PolarHBondContact O-N 2.74Å; G377-R448 WeakPolarHBondContact O-CD 3.49Å; G377-R448 WeakPolarHBondContact O-CG 3.46Å; I446-R448 HydrophobicContact CG2-CG 3.76Å |
| 449 | K | 87.4 | Confident | 81.6 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 7% | 0.07 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 141.6 | -178.2 | 62.6 | -179.4 | 84.3 | 176.2 | 0 | 111.1 | E314 L373 V374 E375 R451 | E314-K449 WeakPolarHBondContact OE1-CE 3.49Å; E314-K449 IonicContact OE1-NZ 3.63Å; E314-K449 PolarHBondContact OE1-NZ 3.39Å; L373-K449 HydrophobicContact CD2-CD 4.47Å; V374-K449 WeakPolarHBondContact CA-O 3.44Å; E375-K449 HydrophobicContact CB-CG 3.92Å; E375-K449 HydrophobicContact CG-CD 4.2Å; E375-K449 HydrophobicContact CG-CG 4.02Å; E375-K449 PolarHBondContact N-O 3.08Å; E375-K449 PolarHBondContact O-N 2.97Å; E375-K449 WeakPolarHBondContact OE2-CD 3.16Å; E375-K449 WeakPolarHBondContact OE2-CE 3.02Å; E375-K449 IonicContact OE2-NZ 2.74Å; E375-K449 PolarHBondContact OE2-NZ 2.84Å; K449-R451 HydrophobicContact CB-CG 4.4Å; K449-R451 HydrophobicContact CD-CG 4.31Å |
| 450 | I | 93.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.7 | 165.2 | -53.1 | 172.7 | 0 | 0 | 0 | 104.9 | N320 A340 W341 L359 V361 V374 L433 I435 I447 | N320-I450 PolarHBondContact ND2-O 3.37Å; A340-I450 HydrophobicContact CB-CD1 4.31Å; A340-I450 HydrophobicContact CB-CG1 4.36Å; A340-I450 PolarHBondContact O-N 3.18Å; W341-I450 HydrophobicContact CE3-CB 3.99Å; W341-I450 HydrophobicContact CE3-CG2 3.71Å; W341-I450 HydrophobicContact CZ3-CB 4.39Å; W341-I450 HydrophobicContact CZ3-CG2 3.65Å; L359-I450 HydrophobicContact CD1-CD1 4.43Å; L359-I450 HydrophobicContact CD2-CD1 3.61Å; V361-I450 HydrophobicContact CG2-CD1 4.17Å; V374-I450 HydrophobicContact CG1-CG1 4.32Å; V374-I450 HydrophobicContact CG2-CG2 4.33Å; L433-I450 HydrophobicContact CD2-CG2 4.19Å; I435-I450 HydrophobicContact CD1-CD1 3.73Å; I435-I450 HydrophobicContact CD1-CG1 4.01Å; I447-I450 HydrophobicContact CG2-CD1 4.22Å; I447-I450 HydrophobicContact CG2-CG1 3.89Å |
| 451 | R | 90.1 | Very high | 80.2 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 4% | 0.038 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 129.1 | 180 | -59.4 | -66 | -179 | -100 | 2.3 | 108.5 | E314 Y318 A340 I372 L373 K449 | E314-R451 IonicContact OE1-NE 3.08Å; E314-R451 IonicContact OE1-NH2 3.93Å; E314-R451 IonicContact OE2-CZ 3.29Å; E314-R451 IonicContact OE2-NE 3.65Å; E314-R451 PolarHBondContact OE2-NE 3.48Å; E314-R451 VanDerWaalsContact OE2-NE 3.16Å; E314-R451 IonicContact OE2-NH2 2.86Å; Y318-R451 HydrophobicContact CD1-CB 3.93Å; Y318-R451 HydrophobicContact CE1-CB 4.31Å; Y318-R451 HydrophobicContact CG-CB 4.22Å; Y318-R451 HydrophobicContact CG-CG 4.32Å; A340-R451 PolarHBondContact O-NH1 3.47Å; I372-R451 CarbonylContact C-O 2.99Å; I372-R451 WeakPolarHBondContact CA-O 3.32Å; L373-R451 HydrophobicContact CB-CB 4.26Å; L373-R451 PolarHBondContact N-O 2.84Å; L373-R451 PolarHBondContact O-N 2.74Å; K449-R451 HydrophobicContact CB-CG 4.4Å; K449-R451 HydrophobicContact CD-CG 4.31Å |
| 452 | I | 89.7 | Confident | 79.4 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.026 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 149.9 | 174.1 | 70.7 | 167.7 | 0 | 0 | 0 | 111.1 | N320 P321 W341 F363 V367 V369 G371 I372 L433 T454 | N320-I452 PolarHBondContact OD1-N 2.98Å; P321-I452 HydrophobicContact CG-CD1 3.66Å; P321-I452 HydrophobicContact CG-CG1 4.23Å; W341-I452 HydrophobicContact CH2-CD1 3.7Å; W341-I452 HydrophobicContact CH2-CG1 3.79Å; W341-I452 HydrophobicContact CH2-CG2 4.45Å; W341-I452 HydrophobicContact CZ3-CG1 4.45Å; W341-I452 HydrophobicContact CZ3-CG2 4.36Å; F363-I452 HydrophobicContact CE1-CD1 3.64Å; F363-I452 HydrophobicContact CZ-CD1 3.68Å; V367-I452 HydrophobicContact CG2-CD1 4.43Å; V369-I452 HydrophobicContact CG1-CB 4.44Å; V369-I452 HydrophobicContact CG2-CD1 4.32Å; G371-I452 CarbonylContact O-C 3.53Å; G371-I452 WeakPolarHBondContact O-CA 3.37Å; G371-I452 WeakPolarHBondContact O-CB 3.19Å; I372-I452 HydrophobicContact CB-CG2 4.45Å; I372-I452 HydrophobicContact CG1-CG2 3.99Å; I372-I452 HydrophobicContact CG2-CG2 4.34Å; L433-I452 HydrophobicContact CD1-CG2 3.71Å; I452-T454 HydrophobicContact CD1-CG2 4.08Å; I452-T454 HydrophobicContact CG1-CG2 4.44Å |
| 453 | T | 86.8 | Confident | 78.7 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 37% | 0.368 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 145.6 | 165.9 | 57.7 | 0 | 0 | 0 | 0 | 108.5 | Y318 T370 G371 | Y318-T453 HydrophobicContact CD1-CG2 4.32Å; Y318-T453 HydrophobicContact CE1-CG2 3.9Å; T370-T453 PolarHBondContact N-O 3.17Å; T370-T453 WeakPolarHBondContact OG1-CB 3.4Å; T370-T453 PolarHBondContact OG1-O 3.05Å; T370-T453 VanDerWaalsContact OG1-O 3.07Å; T370-T453 PolarHBondContact OG1-OG1 3.31Å; G371-T453 VanDerWaalsContact CA-OG1 3.28Å; G371-T453 WeakPolarHBondContact CA-OG1 3.4Å; G371-T453 PolarHBondContact N-O 2.82Å; G371-T453 PolarHBondContact N-OG1 3.19Å; G371-T453 PolarHBondContact O-N 2.81Å |
| 454 | T | 87.3 | Confident | 77.9 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 33% | 0.331 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 160.5 | -179.5 | 61.4 | 0 | 0 | 0 | 0 | 110.1 | P321 V367 V368 T370 I452 S456 | P321-T454 HydrophobicContact CG-CG2 4.33Å; V367-T454 HydrophobicContact CB-CG2 3.8Å; V367-T454 HydrophobicContact CG1-CG2 4.24Å; V367-T454 HydrophobicContact CG2-CG2 3.91Å; V368-T454 CarbonylContact O-C 3.59Å; V368-T454 WeakPolarHBondContact O-CA 3.42Å; V368-T454 WeakPolarHBondContact O-CB 3.26Å; T370-T454 PolarHBondContact OG1-N 2.96Å; I452-T454 HydrophobicContact CD1-CG2 4.08Å; I452-T454 HydrophobicContact CG1-CG2 4.44Å; T454-S456 PolarHBondContact O-N 3.47Å |
| 455 | K | 81.9 | Confident | 76.7 | Confident | 117 Ų | 117 | 56.8 Ų | 56.8 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 128.9 | 163.2 | -81.4 | -177.1 | 176.5 | 155.3 | 0 | 108 | V368 T370 D423 S457 | V368-K455 HydrophobicContact CB-CB 4.38Å; V368-K455 HydrophobicContact CG1-CD 4.17Å; V368-K455 HydrophobicContact CG1-CG 4.44Å; V368-K455 PolarHBondContact O-N 3.22Å; T370-K455 HydrophobicContact CG2-CB 4.42Å; T370-K455 HydrophobicContact CG2-CG 3.62Å; D423-K455 WeakPolarHBondContact OD2-CE 3.43Å; D423-K455 IonicContact OD2-NZ 2.74Å; D423-K455 PolarHBondContact OD2-NZ 2.03Å; K455-S457 PolarHBondContact O-N 3.19Å |
| 456 | S | 58.7 | Low | 75.2 | Confident | 105 Ų | 105 | 60.7 Ų | 60.7 | 73% | 0.734 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 129.2 | 167 | -173.2 | 0 | 0 | 0 | 0 | 107.8 | T454 A458 | T454-S456 PolarHBondContact O-N 3.47Å; S456-A458 PolarHBondContact O-N 3.45Å; S456-A458 VanDerWaalsContact O-N 3.1Å |
| 457 | S | 39.2 | Very low | 73.6 | Confident | 101 Ų | 101 | 64.6 Ų | 64.6 | 71% | 0.706 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 117.5 | 154.9 | 44.8 | 0 | 0 | 0 | 0 | 105.8 | K455 S459 | K455-S457 PolarHBondContact O-N 3.19Å; S457-S459 PolarHBondContact O-N 3.38Å |
| 458 | A | 27.5 | Very low | 71.6 | Confident | 103 Ų | 103 | 69.9 Ų | 69.9 | 85% | 0.851 | 44% | 0.436 | S | S | * | . | trans | -59.9 | 108.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | S456 | S456-A458 PolarHBondContact O-N 3.45Å; S456-A458 VanDerWaalsContact O-N 3.1Å | ||
| 459 | S | 26.8 | Very low | 69.9 | Low | 181 Ų | 181 | 68.4 Ų | 68.4 | 100% | 1.266 | 45% | 0.445 | S | S | * | . | trans | -96.1 | 0 | 163.3 | 56.1 | 0 | 0 | 0 | 0 | 108.5 | S457 | S457-S459 PolarHBondContact O-N 3.38Š|
Retrieved 459 of 459 residues in 2194 ms
(Link to these results)