| 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 | 48.3 | Very low | 46.4 | Very low | 239 Ų | 239 | 156 Ų | 156 | 100% | 1.177 | 78% | 0.775 | S | S | * | * | 0 | 144.3 | 0 | -78.7 | 164.9 | 70.9 | 0 | 0 | 109.3 | |||||
| 2 | K | 47.7 | Very low | 46.8 | Very low | 200 Ų | 200 | 149.7 Ų | 149.7 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | trans | 85.2 | 87.9 | 179 | -61.5 | 179.4 | 177.6 | 176.3 | 0 | 117.5 | ||||
| 3 | N | 44.5 | Very low | 47.4 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 91% | 0.914 | 75% | 0.745 | S | S | * | * | trans | -175.5 | 61.7 | 131.1 | -103.3 | -8.5 | 0 | 0 | 0 | 112.7 | ||||
| 4 | R | 46.8 | Very low | 47.2 | Very low | 252 Ų | 252 | 144.5 Ų | 144.5 | 95% | 0.951 | 73% | 0.73 | S | S | * | * | trans | -122.5 | 34.8 | 172.4 | -96.2 | -167.7 | -179.5 | -173.1 | 1.8 | 112.9 | ||||
| 5 | S | 51.3 | Low | 47.4 | Very low | 77 Ų | 77 | 138.3 Ų | 138.3 | 54% | 0.538 | 71% | 0.705 | S | S | . | * | trans | -126.5 | 6.7 | -171.6 | -178.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 6 | F | 43.6 | Very low | 47.7 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 80% | 0.803 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -96 | -29.3 | 179.9 | -155.3 | -103.2 | 0 | 0 | 0 | 113.7 | ||
| 7 | L | 40.6 | Very low | 47.8 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 85% | 0.853 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -15.9 | -176.8 | -84.3 | 150.7 | 0 | 0 | 0 | 114.7 | ||
| 8 | T | 43.3 | Very low | 47.8 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 64% | 0.644 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -10.1 | -178.4 | 22.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 9 | K | 49.9 | Very low | 47.7 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 69% | 0.687 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -100.7 | -13.2 | -179.9 | -70.8 | -173.8 | 177.6 | -178.5 | 0 | 114.9 | ||
| 10 | V | 47.2 | Very low | 47.8 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 46% | 0.461 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -90 | -22.9 | -176.9 | -174 | 0 | 0 | 0 | 0 | 112.5 | L14 | V10-L14 HydrophobicContact CG1-CD1 4.28Å; V10-L14 PolarHBondContact O-N 2.91Å |
| 11 | C | 47.4 | Very low | 47.7 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 62% | 0.622 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.7 | -37.6 | -174 | -154.2 | 0 | 0 | 0 | 0 | 115.8 | S15 | C11-S15 VanDerWaalsContact O-CB 3.32Å; C11-S15 WeakPolarHBondContact O-CB 3.26Å; C11-S15 PolarHBondContact O-N 3.1Å; C11-S15 VanDerWaalsContact O-N 3.16Å |
| 12 | P | 51.3 | Low | 47.6 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.1 | -36.3 | -178.8 | -17.6 | 30.7 | 0 | 0 | 0 | 113.3 | S15 H16 | P12-S15 PolarHBondContact O-N 3.32Å; P12-H16 WeakPolarHBondContact O-CB 3.16Å; P12-H16 PolarHBondContact O-N 3.37Å |
| 13 | I | 53.7 | Low | 48.1 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 65% | 0.651 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.5 | -42.6 | -176.8 | -59.4 | 170.4 | 0 | 0 | 0 | 110.2 | H16 F17 | I13-H16 PolarHBondContact O-N 3.29Å; I13-F17 VanDerWaalsContact O-CB 3.32Å; I13-F17 WeakPolarHBondContact O-CB 2.89Å; I13-F17 PolarHBondContact O-N 3.39Å |
| 14 | L | 45.8 | Very low | 48.5 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 52% | 0.524 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.9 | -45.1 | 172.9 | -117.4 | 81.9 | 0 | 0 | 0 | 111.2 | V10 H16 F17 F18 | V10-L14 HydrophobicContact CG1-CD1 4.28Å; V10-L14 PolarHBondContact O-N 2.91Å; L14-H16 PolarHBondContact O-N 3.16Å; L14-F17 PolarHBondContact O-N 3.33Å; L14-F18 WeakPolarHBondContact O-CB 3.46Å; L14-F18 WeakPolarHBondContact O-CD2 3.25Å; L14-F18 PolarHBondContact O-N 3.02Å |
| 15 | S | 49.9 | Very low | 48.9 | Very low | 51 Ų | 51 | 111.6 Ų | 111.6 | 36% | 0.357 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.1 | -42.3 | 177 | 178 | 0 | 0 | 0 | 0 | 112.3 | C11 P12 K19 | C11-S15 VanDerWaalsContact O-CB 3.32Å; C11-S15 WeakPolarHBondContact O-CB 3.26Å; C11-S15 PolarHBondContact O-N 3.1Å; C11-S15 VanDerWaalsContact O-N 3.16Å; P12-S15 PolarHBondContact O-N 3.32Å; S15-K19 WeakPolarHBondContact O-CB 3.37Å; S15-K19 VanDerWaalsContact O-CG 3.26Å; S15-K19 WeakPolarHBondContact O-CG 3.34Å; S15-K19 PolarHBondContact O-N 3.36Å |
| 16 | H | 51.3 | Low | 49 | Very low | 107 Ų | 107 | 111.4 Ų | 111.4 | 50% | 0.495 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.9 | -38.3 | 178.1 | -168.3 | 59 | 0 | 0 | 0 | 112.4 | P12 I13 L14 K19 K20 | P12-H16 WeakPolarHBondContact O-CB 3.16Å; P12-H16 PolarHBondContact O-N 3.37Å; I13-H16 PolarHBondContact O-N 3.29Å; L14-H16 PolarHBondContact O-N 3.16Å; H16-K19 PolarHBondContact O-N 3.43Å; H16-K20 VanDerWaalsContact NE2-CE 3.26Å; H16-K20 WeakPolarHBondContact NE2-CE 3.38Å; H16-K20 PolarHBondContact NE2-NZ 2.66Å; H16-K20 WeakPolarHBondContact O-CB 3.35Å; H16-K20 PolarHBondContact O-N 3.2Å |
| 17 | F | 50 | Low | 49.8 | Very low | 136 Ų | 136 | 108.4 Ų | 108.4 | 60% | 0.596 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.1 | -43.8 | 174.3 | -169.6 | -99 | 0 | 0 | 0 | 111.7 | I13 L14 K20 L21 | I13-F17 VanDerWaalsContact O-CB 3.32Å; I13-F17 WeakPolarHBondContact O-CB 2.89Å; I13-F17 PolarHBondContact O-N 3.39Å; L14-F17 PolarHBondContact O-N 3.33Å; F17-K20 PolarHBondContact O-N 3.39Å; F17-L21 VanDerWaalsContact O-CB 3.24Å; F17-L21 WeakPolarHBondContact O-CB 3.47Å; F17-L21 PolarHBondContact O-N 3.2Å |
| 18 | F | 47 | Very low | 50.5 | Low | 136 Ų | 136 | 105.6 Ų | 105.6 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.4 | -41.6 | 173.9 | -95.3 | -88.5 | 0 | 0 | 0 | 112.1 | L14 L21 L22 | L14-F18 WeakPolarHBondContact O-CB 3.46Å; L14-F18 WeakPolarHBondContact O-CD2 3.25Å; L14-F18 PolarHBondContact O-N 3.02Å; F18-L21 PolarHBondContact O-N 2.85Å; F18-L22 WeakPolarHBondContact O-CB 3.43Å; F18-L22 PolarHBondContact O-N 2.72Å |
| 19 | K | 46.1 | Very low | 51.2 | Low | 127 Ų | 127 | 107.3 Ų | 107.3 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65 | -42 | 174.3 | -75.6 | 176.2 | -177.4 | -176.5 | 0 | 112 | S15 H16 N23 | S15-K19 WeakPolarHBondContact O-CB 3.37Å; S15-K19 VanDerWaalsContact O-CG 3.26Å; S15-K19 WeakPolarHBondContact O-CG 3.34Å; S15-K19 PolarHBondContact O-N 3.36Å; H16-K19 PolarHBondContact O-N 3.43Å; K19-N23 WeakPolarHBondContact O-CB 3.35Å; K19-N23 PolarHBondContact O-N 2.96Å; K19-N23 PolarHBondContact O-ND2 2.61Å; K19-N23 PolarHBondContact O-OD1 2.88Å |
| 20 | K | 49.6 | Very low | 51.8 | Low | 131 Ų | 131 | 104.3 Ų | 104.3 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.2 | -42.8 | 174.5 | -88.4 | -178.4 | 169.4 | 172.5 | 0 | 112.1 | H16 F17 N23 F24 | H16-K20 VanDerWaalsContact NE2-CE 3.26Å; H16-K20 WeakPolarHBondContact NE2-CE 3.38Å; H16-K20 PolarHBondContact NE2-NZ 2.66Å; H16-K20 WeakPolarHBondContact O-CB 3.35Å; H16-K20 PolarHBondContact O-N 3.2Å; F17-K20 PolarHBondContact O-N 3.39Å; K20-N23 PolarHBondContact O-N 3.4Å; K20-F24 WeakPolarHBondContact O-CB 3.5Å; K20-F24 PolarHBondContact O-N 3.46Å |
| 21 | L | 45.8 | Very low | 52.7 | Low | 85 Ų | 85 | 105.9 Ų | 105.9 | 45% | 0.445 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.7 | -41.9 | 178.3 | -171.7 | 67.2 | 0 | 0 | 0 | 111.6 | F17 F18 F24 V25 | F17-L21 VanDerWaalsContact O-CB 3.24Å; F17-L21 WeakPolarHBondContact O-CB 3.47Å; F17-L21 PolarHBondContact O-N 3.2Å; F18-L21 PolarHBondContact O-N 2.85Å; L21-F24 PolarHBondContact O-N 3.2Å; L21-V25 WeakPolarHBondContact O-CG2 3.38Å; L21-V25 PolarHBondContact O-N 3.38Å |
| 22 | L | 46.6 | Very low | 53.1 | Low | 113 Ų | 113 | 102.5 Ų | 102.5 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63 | -43.2 | 173.9 | -172.3 | 66.7 | 0 | 0 | 0 | 110.5 | F18 F24 V25 T26 | F18-L22 WeakPolarHBondContact O-CB 3.43Å; F18-L22 PolarHBondContact O-N 2.72Å; L22-F24 VanDerWaalsContact C-N 3.34Å; L22-F24 PolarHBondContact O-N 2.67Å; L22-V25 PolarHBondContact O-N 2.88Å; L22-T26 WeakPolarHBondContact O-CB 3.43Å; L22-T26 PolarHBondContact O-N 3.03Å; L22-T26 PolarHBondContact O-OG1 2.68Å |
| 23 | N | 57.5 | Low | 53.5 | Low | 101 Ų | 101 | 106.8 Ų | 106.8 | 54% | 0.54 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 174.1 | -74.6 | -10.6 | 0 | 0 | 0 | 111.9 | K19 K20 M27 | K19-N23 WeakPolarHBondContact O-CB 3.35Å; K19-N23 PolarHBondContact O-N 2.96Å; K19-N23 PolarHBondContact O-ND2 2.61Å; K19-N23 PolarHBondContact O-OD1 2.88Å; K20-N23 PolarHBondContact O-N 3.4Å; N23-M27 WeakPolarHBondContact O-CA 3.45Å; N23-M27 WeakPolarHBondContact O-CB 3.49Å; N23-M27 VanDerWaalsContact O-CG 3.22Å; N23-M27 WeakPolarHBondContact O-CG 3.37Å; N23-M27 PolarHBondContact O-N 3.38Å |
| 24 | F | 53.4 | Low | 54.3 | Low | 134 Ų | 134 | 104.2 Ų | 104.2 | 59% | 0.588 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.5 | -45.5 | 177.4 | -176.7 | -99.7 | 0 | 0 | 0 | 112.6 | K20 L21 L22 T26 M27 R28 | K20-F24 WeakPolarHBondContact O-CB 3.5Å; K20-F24 PolarHBondContact O-N 3.46Å; L21-F24 PolarHBondContact O-N 3.2Å; L22-F24 VanDerWaalsContact C-N 3.34Å; L22-F24 PolarHBondContact O-N 2.67Å; F24-T26 VanDerWaalsContact C-N 3.32Å; F24-T26 PolarHBondContact O-N 3.19Å; F24-M27 PolarHBondContact O-N 3.28Å; F24-R28 VanDerWaalsContact O-CB 3.27Å; F24-R28 WeakPolarHBondContact O-CB 3.29Å; F24-R28 PolarHBondContact O-N 3.34Å |
| 25 | V | 55.3 | Low | 55.5 | Low | 61 Ų | 61 | 102.2 Ų | 102.2 | 37% | 0.37 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -39.4 | 175.9 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | L21 L22 R29 | L21-V25 WeakPolarHBondContact O-CG2 3.38Å; L21-V25 PolarHBondContact O-N 3.38Å; L22-V25 PolarHBondContact O-N 2.88Å; V25-R29 VanDerWaalsContact O-CG 3.29Å; V25-R29 WeakPolarHBondContact O-CG 3.4Å; V25-R29 PolarHBondContact O-N 2.81Å |
| 26 | T | 53.6 | Low | 56.2 | Low | 74 Ų | 74 | 100.4 Ų | 100.4 | 45% | 0.454 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.5 | -42 | 177.6 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | L22 F24 R29 L30 | L22-T26 WeakPolarHBondContact O-CB 3.43Å; L22-T26 PolarHBondContact O-N 3.03Å; L22-T26 PolarHBondContact O-OG1 2.68Å; F24-T26 VanDerWaalsContact C-N 3.32Å; F24-T26 PolarHBondContact O-N 3.19Å; T26-R29 PolarHBondContact O-N 2.83Å; T26-L30 VanDerWaalsContact O-CB 3.32Å; T26-L30 WeakPolarHBondContact O-CB 3.46Å; T26-L30 PolarHBondContact O-N 3.05Å |
| 27 | M | 59.7 | Low | 57 | Low | 120 Ų | 120 | 104.7 Ų | 104.7 | 59% | 0.591 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.5 | -41.5 | 173 | -85.7 | -71.9 | -78.4 | 0 | 0 | 111.8 | N23 F24 R29 L30 L31 | N23-M27 WeakPolarHBondContact O-CA 3.45Å; N23-M27 WeakPolarHBondContact O-CB 3.49Å; N23-M27 VanDerWaalsContact O-CG 3.22Å; N23-M27 WeakPolarHBondContact O-CG 3.37Å; N23-M27 PolarHBondContact O-N 3.38Å; F24-M27 PolarHBondContact O-N 3.28Å; M27-R29 VanDerWaalsContact C-N 3.32Å; M27-R29 PolarHBondContact O-N 3.08Å; M27-L30 PolarHBondContact O-N 3.27Å; M27-L30 HydrophobicContact SD-CD2 4.31Å; M27-L31 WeakPolarHBondContact O-CB 3.43Å; M27-L31 PolarHBondContact O-N 3.33Å |
| 28 | R | 55.2 | Low | 58 | Low | 103 Ų | 103 | 103.6 Ų | 103.6 | 39% | 0.389 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 175.2 | -176.6 | 176.3 | 169.9 | 174.5 | -0.9 | 111.3 | F24 T32 | F24-R28 VanDerWaalsContact O-CB 3.27Å; F24-R28 WeakPolarHBondContact O-CB 3.29Å; F24-R28 PolarHBondContact O-N 3.34Å; R28-T32 WeakPolarHBondContact O-CB 3.29Å; R28-T32 PolarHBondContact O-N 3.33Å; R28-T32 PolarHBondContact O-OG1 2.82Å |
| 29 | R | 58.7 | Low | 59.2 | Low | 142 Ų | 142 | 100.2 Ų | 100.2 | 54% | 0.536 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66 | -43.9 | 173.8 | -73.6 | 176.4 | -175.4 | -165.9 | 1.9 | 111.7 | V25 T26 M27 T32 R33 | V25-R29 VanDerWaalsContact O-CG 3.29Å; V25-R29 WeakPolarHBondContact O-CG 3.4Å; V25-R29 PolarHBondContact O-N 2.81Å; T26-R29 PolarHBondContact O-N 2.83Å; M27-R29 VanDerWaalsContact C-N 3.32Å; M27-R29 PolarHBondContact O-N 3.08Å; R29-T32 PolarHBondContact O-N 3.11Å; R29-R33 WeakPolarHBondContact O-CB 3.23Å; R29-R33 WeakPolarHBondContact O-CG 3.49Å; R29-R33 PolarHBondContact O-N 3.02Å |
| 30 | L | 63.3 | Low | 60.1 | Low | 95 Ų | 95 | 95.4 Ų | 95.4 | 50% | 0.497 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 178.8 | -175.5 | 66.2 | 0 | 0 | 0 | 111 | T26 M27 T32 R33 V34 | T26-L30 VanDerWaalsContact O-CB 3.32Å; T26-L30 WeakPolarHBondContact O-CB 3.46Å; T26-L30 PolarHBondContact O-N 3.05Å; M27-L30 PolarHBondContact O-N 3.27Å; M27-L30 HydrophobicContact SD-CD2 4.31Å; L30-T32 VanDerWaalsContact C-N 3.35Å; L30-T32 PolarHBondContact O-N 2.9Å; L30-R33 CarbonylContact O-C 3.6Å; L30-R33 WeakPolarHBondContact O-CB 3.45Å; L30-R33 PolarHBondContact O-N 2.88Å; L30-R33 VanDerWaalsContact O-N 3.13Å; L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.32Å; L30-V34 PolarHBondContact O-N 3.39Å |
| 31 | L | 64.9 | Low | 60.1 | Low | 108 Ų | 108 | 91.1 Ų | 91.1 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.2 | -44.8 | 176.2 | -174.2 | 67 | 0 | 0 | 0 | 111.1 | M27 R33 V34 I35 | M27-L31 WeakPolarHBondContact O-CB 3.43Å; M27-L31 PolarHBondContact O-N 3.33Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.4Å; L31-V34 PolarHBondContact O-N 2.64Å; L31-I35 HydrophobicContact CD1-CD1 4.39Å; L31-I35 HydrophobicContact CG-CD1 3.91Å; L31-I35 WeakPolarHBondContact O-CB 3.42Å; L31-I35 VanDerWaalsContact O-CG1 3.22Å; L31-I35 WeakPolarHBondContact O-CG1 3.33Å; L31-I35 PolarHBondContact O-N 3.24Å |
| 32 | T | 55.8 | Low | 60.2 | Low | 22 Ų | 22 | 94.7 Ų | 94.7 | 14% | 0.135 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.1 | -52.7 | 0 | 0 | 0 | 0 | 111.3 | R28 R29 L30 I35 N36 | R28-T32 WeakPolarHBondContact O-CB 3.29Å; R28-T32 PolarHBondContact O-N 3.33Å; R28-T32 PolarHBondContact O-OG1 2.82Å; R29-T32 PolarHBondContact O-N 3.11Å; L30-T32 VanDerWaalsContact C-N 3.35Å; L30-T32 PolarHBondContact O-N 2.9Å; T32-I35 PolarHBondContact O-N 3.5Å; T32-N36 WeakPolarHBondContact O-CB 3.34Å; T32-N36 PolarHBondContact O-N 3.5Å; T32-N36 PolarHBondContact O-OD1 3.01Å |
| 33 | R | 61 | Low | 60.1 | Low | 169 Ų | 169 | 96.8 Ų | 96.8 | 64% | 0.638 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.4 | -40.6 | 175.4 | -75.8 | 175.6 | 179.5 | 177.8 | -2 | 112.8 | R29 L30 L31 N36 R37 | R29-R33 WeakPolarHBondContact O-CB 3.23Å; R29-R33 WeakPolarHBondContact O-CG 3.49Å; R29-R33 PolarHBondContact O-N 3.02Å; L30-R33 CarbonylContact O-C 3.6Å; L30-R33 WeakPolarHBondContact O-CB 3.45Å; L30-R33 PolarHBondContact O-N 2.88Å; L30-R33 VanDerWaalsContact O-N 3.13Å; L31-R33 VanDerWaalsContact C-N 3.32Å; L31-R33 PolarHBondContact O-N 3.4Å; R33-N36 PolarHBondContact O-N 2.73Å; R33-R37 VanDerWaalsContact O-CB 3.31Å; R33-R37 WeakPolarHBondContact O-CB 3.19Å; R33-R37 PolarHBondContact O-N 3.4Å |
| 34 | V | 69.3 | Low | 59.6 | Low | 74 Ų | 74 | 94.4 Ų | 94.4 | 45% | 0.448 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 176.3 | 171.4 | 0 | 0 | 0 | 0 | 110 | L30 L31 N36 R37 V38 | L30-V34 VanDerWaalsContact O-CG2 3.31Å; L30-V34 WeakPolarHBondContact O-CG2 3.32Å; L30-V34 PolarHBondContact O-N 3.39Å; L31-V34 PolarHBondContact O-N 2.64Å; V34-N36 PolarHBondContact O-N 3.44Å; V34-R37 PolarHBondContact O-N 3.1Å; V34-V38 HydrophobicContact CG1-CG2 4.29Å; V34-V38 WeakPolarHBondContact O-CB 3.29Å; V34-V38 VanDerWaalsContact O-CG2 3.3Å; V34-V38 WeakPolarHBondContact O-CG2 3.43Å; V34-V38 PolarHBondContact O-N 2.84Å |
| 35 | I | 71.4 | Confident | 58.9 | Low | 58 Ų | 58 | 95.9 Ų | 95.9 | 30% | 0.297 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -57.5 | -49.5 | 174.4 | -70.6 | 166.3 | 0 | 0 | 0 | 110.2 | L31 T32 R37 V38 L39 V128 | L31-I35 HydrophobicContact CD1-CD1 4.39Å; L31-I35 HydrophobicContact CG-CD1 3.91Å; L31-I35 WeakPolarHBondContact O-CB 3.42Å; L31-I35 VanDerWaalsContact O-CG1 3.22Å; L31-I35 WeakPolarHBondContact O-CG1 3.33Å; L31-I35 PolarHBondContact O-N 3.24Å; T32-I35 PolarHBondContact O-N 3.5Å; I35-R37 VanDerWaalsContact C-N 3.3Å; I35-R37 PolarHBondContact O-N 3.26Å; I35-V38 PolarHBondContact O-N 2.83Å; I35-L39 HydrophobicContact CG2-CD1 3.48Å; I35-L39 VanDerWaalsContact CG2-CD1 3.48Å; I35-L39 HydrophobicContact CG2-CG 4.13Å; I35-L39 VanDerWaalsContact O-CB 3.25Å; I35-L39 WeakPolarHBondContact O-CB 3.22Å; I35-L39 WeakPolarHBondContact O-CG 3.5Å; I35-L39 PolarHBondContact O-N 2.96Å; I35-V128 HydrophobicContact CG2-CG1 4Å |
| 36 | N | 64.3 | Low | 58.1 | Low | 12 Ų | 12 | 96 Ų | 96 | 6% | 0.064 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 177.8 | -70.3 | -5.9 | 0 | 0 | 0 | 111.5 | T32 R33 V34 L40 V131 C181 | T32-N36 WeakPolarHBondContact O-CB 3.34Å; T32-N36 PolarHBondContact O-N 3.5Å; T32-N36 PolarHBondContact O-OD1 3.01Å; R33-N36 PolarHBondContact O-N 2.73Å; V34-N36 PolarHBondContact O-N 3.44Å; N36-L40 HydrophobicContact CB-CD1 4.35Å; N36-L40 WeakPolarHBondContact O-CB 3.42Å; N36-L40 WeakPolarHBondContact O-CG 3.3Å; N36-L40 PolarHBondContact O-N 2.89Å; N36-V131 WeakPolarHBondContact OD1-CG2 3.25Å; N36-C181 PolarHBondContact ND2-SG 2.92Å; N36-C181 VanDerWaalsContact ND2-SG 3.4Å |
| 37 | R | 69.1 | Low | 57.7 | Low | 197 Ų | 197 | 95.9 Ų | 95.9 | 74% | 0.743 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.8 | -44 | 177.7 | -170 | -180 | -168.1 | 179 | 3.1 | 112.4 | R33 V34 I35 G41 | R33-R37 VanDerWaalsContact O-CB 3.31Å; R33-R37 WeakPolarHBondContact O-CB 3.19Å; R33-R37 PolarHBondContact O-N 3.4Å; V34-R37 PolarHBondContact O-N 3.1Å; I35-R37 VanDerWaalsContact C-N 3.3Å; I35-R37 PolarHBondContact O-N 3.26Å; R37-G41 PolarHBondContact O-N 2.93Å |
| 38 | V | 71.3 | Confident | 57 | Low | 113 Ų | 113 | 96.1 Ų | 96.1 | 69% | 0.685 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.7 | -40.8 | 177.6 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | V34 I35 | V34-V38 HydrophobicContact CG1-CG2 4.29Å; V34-V38 WeakPolarHBondContact O-CB 3.29Å; V34-V38 VanDerWaalsContact O-CG2 3.3Å; V34-V38 WeakPolarHBondContact O-CG2 3.43Å; V34-V38 PolarHBondContact O-N 2.84Å; I35-V38 PolarHBondContact O-N 2.83Å |
| 39 | L | 71.6 | Confident | 56.4 | Low | 65 Ų | 65 | 96.4 Ų | 96.4 | 34% | 0.34 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76.9 | -33.7 | 180 | -67.5 | 178 | 0 | 0 | 0 | 113 | I35 V131 R135 | I35-L39 HydrophobicContact CG2-CD1 3.48Å; I35-L39 VanDerWaalsContact CG2-CD1 3.48Å; I35-L39 HydrophobicContact CG2-CG 4.13Å; I35-L39 VanDerWaalsContact O-CB 3.25Å; I35-L39 WeakPolarHBondContact O-CB 3.22Å; I35-L39 WeakPolarHBondContact O-CG 3.5Å; I35-L39 PolarHBondContact O-N 2.96Å; L39-V131 HydrophobicContact CB-CG1 3.77Å; L39-V131 HydrophobicContact CB-CG2 4.26Å; L39-V131 HydrophobicContact CD1-CG1 4.15Å; L39-V131 HydrophobicContact CD1-CG2 4.03Å; L39-R135 PolarHBondContact O-NE 2.8Å; L39-R135 PolarHBondContact O-NH2 3.04Å |
| 40 | L | 64.6 | Low | 55.1 | Low | 26 Ų | 26 | 92.3 Ų | 92.3 | 14% | 0.136 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -88.9 | -20.5 | -178.6 | -64.7 | 170.2 | 0 | 0 | 0 | 113.1 | N36 F44 V131 A134 R135 C181 | N36-L40 HydrophobicContact CB-CD1 4.35Å; N36-L40 WeakPolarHBondContact O-CB 3.42Å; N36-L40 WeakPolarHBondContact O-CG 3.3Å; N36-L40 PolarHBondContact O-N 2.89Å; L40-F44 HydrophobicContact CB-CB 4.41Å; L40-F44 HydrophobicContact CD2-CD2 4.44Å; L40-F44 WeakPolarHBondContact O-CB 3.38Å; L40-V131 HydrophobicContact CD2-CG1 4.04Å; L40-V131 HydrophobicContact CG-CG1 4.47Å; L40-A134 HydrophobicContact CD2-CB 4.11Å; L40-R135 HydrophobicContact CD2-CG 4.15Å; L40-C181 HydrophobicContact CD1-CB 3.95Å |
| 41 | G | 49.7 | Very low | 54.1 | Low | 41 Ų | 41 | 90.7 Ų | 90.7 | 42% | 0.423 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 172.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | R37 Q43 | R37-G41 PolarHBondContact O-N 2.93Å; G41-Q43 PolarHBondContact O-N 2.87Å |
| 42 | E | 47.3 | Very low | 53 | Low | 160 Ų | 160 | 93.7 Ų | 93.7 | 75% | 0.748 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.2 | 171.3 | -73.2 | -96.6 | 132.6 | 0 | 0 | 112.1 | F44 K45 | E42-F44 VanDerWaalsContact C-N 3.28Å; E42-F44 PolarHBondContact O-N 3.4Å; E42-K45 PolarHBondContact O-N 2.91Å |
| 43 | Q | 44.1 | Very low | 52.1 | Low | 157 Ų | 157 | 96.9 Ų | 96.9 | 73% | 0.734 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.1 | -30.2 | -179.7 | -79 | 177.6 | -18.4 | 0 | 0 | 113.7 | G41 K45 A46 T47 | G41-Q43 PolarHBondContact O-N 2.87Å; Q43-K45 VanDerWaalsContact C-N 3.28Å; Q43-K45 PolarHBondContact O-N 3.23Å; Q43-A46 PolarHBondContact O-N 3.32Å; Q43-A46 VanDerWaalsContact O-N 3.08Å; Q43-T47 PolarHBondContact O-N 2.93Å; Q43-T47 PolarHBondContact O-OG1 2.8Å; Q43-T47 VanDerWaalsContact O-OG1 3.11Å |
| 44 | F | 47 | Very low | 51 | Low | 51 Ų | 51 | 97.6 Ų | 97.6 | 22% | 0.224 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -62.3 | -32.3 | -179.1 | -170.9 | -103.6 | 0 | 0 | 0 | 113.3 | L40 E42 A134 | L40-F44 HydrophobicContact CB-CB 4.41Å; L40-F44 HydrophobicContact CD2-CD2 4.44Å; L40-F44 WeakPolarHBondContact O-CB 3.38Å; E42-F44 VanDerWaalsContact C-N 3.28Å; E42-F44 PolarHBondContact O-N 3.4Å; F44-A134 HydrophobicContact CE2-CB 3.85Å; F44-A134 HydrophobicContact CZ-CB 3.93Å |
| 45 | K | 40.4 | Very low | 49.7 | Very low | 165 Ų | 165 | 99.4 Ų | 99.4 | 72% | 0.717 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72.7 | -36.6 | 173.7 | -80.8 | -176.3 | 177.8 | 178.8 | 0 | 112.3 | E42 Q43 | E42-K45 PolarHBondContact O-N 2.91Å; Q43-K45 VanDerWaalsContact C-N 3.28Å; Q43-K45 PolarHBondContact O-N 3.23Å |
| 46 | A | 38.2 | Very low | 48.4 | Very low | 63 Ų | 63 | 105.6 Ų | 105.6 | 52% | 0.521 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -74.2 | -36.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q43 M48 V49 G50 | Q43-A46 PolarHBondContact O-N 3.32Å; Q43-A46 VanDerWaalsContact O-N 3.08Å; A46-M48 PolarHBondContact O-N 3.32Å; A46-V49 PolarHBondContact O-N 3.49Å; A46-G50 PolarHBondContact O-N 2.91Å |
| 47 | T | 45 | Very low | 47.3 | Very low | 73 Ų | 73 | 108.7 Ų | 108.7 | 45% | 0.448 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.3 | -30 | 176.8 | -51 | 0 | 0 | 0 | 0 | 112.5 | Q43 V49 A51 | Q43-T47 PolarHBondContact O-N 2.93Å; Q43-T47 PolarHBondContact O-OG1 2.8Å; Q43-T47 VanDerWaalsContact O-OG1 3.11Å; T47-V49 PolarHBondContact O-N 2.97Å; T47-A51 WeakPolarHBondContact O-CB 3.1Å; T47-A51 PolarHBondContact O-N 3.3Å |
| 48 | M | 44.3 | Very low | 46.4 | Very low | 124 Ų | 124 | 109.5 Ų | 109.5 | 61% | 0.611 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69 | -21.4 | 173.9 | -69.6 | -68.2 | -137.6 | 0 | 0 | 113.3 | A46 | A46-M48 PolarHBondContact O-N 3.32Å |
| 49 | V | 42.3 | Very low | 45.9 | Very low | 109 Ų | 109 | 105.3 Ų | 105.3 | 66% | 0.661 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -97.3 | -30.5 | 178.8 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | A46 T47 | A46-V49 PolarHBondContact O-N 3.49Å; T47-V49 PolarHBondContact O-N 2.97Å |
| 50 | G | 31.9 | Very low | 46.5 | Very low | 57 Ų | 57 | 105.7 Ų | 105.7 | 59% | 0.588 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -82.2 | -11.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | A46 E52 | A46-G50 PolarHBondContact O-N 2.91Å; G50-E52 VanDerWaalsContact C-N 3.28Å; G50-E52 PolarHBondContact O-N 3.11Å |
| 51 | A | 42.2 | Very low | 47.9 | Very low | 60 Ų | 60 | 108 Ų | 108 | 50% | 0.496 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -81.3 | 0.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T47 A53 | T47-A51 WeakPolarHBondContact O-CB 3.1Å; T47-A51 PolarHBondContact O-N 3.3Å; A51-A53 PolarHBondContact O-N 2.94Å |
| 52 | E | 41.8 | Very low | 50.1 | Low | 172 Ų | 172 | 107.5 Ų | 107.5 | 80% | 0.804 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -74.6 | -11 | 178 | -69.3 | -172.9 | 157.1 | 0 | 0 | 113.4 | G50 | G50-E52 VanDerWaalsContact C-N 3.28Å; G50-E52 PolarHBondContact O-N 3.11Å |
| 53 | A | 37.4 | Very low | 52.5 | Low | 89 Ų | 89 | 99.9 Ų | 99.9 | 74% | 0.736 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -98.8 | -4.8 | -165.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | A51 | A51-A53 PolarHBondContact O-N 2.94Š|
| 54 | E | 37.7 | Very low | 55.1 | Low | 183 Ų | 183 | 92.4 Ų | 92.4 | 86% | 0.855 | 50% | 0.501 | S | S | * | . | trans | -144 | 71.7 | 173.3 | -76.3 | -172.9 | 166.6 | 0 | 0 | 111.7 | ||||
| 55 | I | 43.1 | Very low | 57.6 | Low | 113 Ų | 113 | 90 Ų | 90 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | trans | -109.8 | 79.2 | 170.2 | -53.8 | 179.9 | 0 | 0 | 0 | 108.6 | ||||
| 56 | H | 42.2 | Very low | 60.4 | Low | 187 Ų | 187 | 82.1 Ų | 82.1 | 87% | 0.866 | 46% | 0.456 | S | S | * | . | trans | -128.6 | 80.6 | 159.3 | -85.6 | -95.8 | 0 | 0 | 0 | 109.9 | ||||
| 57 | T | 41.9 | Very low | 63.3 | Low | 77 Ų | 77 | 79.1 Ų | 79.1 | 47% | 0.472 | 43% | 0.431 | S | S | . | . | trans | -163.8 | 116.3 | 137.8 | 1.3 | 0 | 0 | 0 | 0 | 108.3 | G59 | T57-G59 PolarHBondContact O-N 3.02Š| ||
| 58 | E | 50.9 | Low | 65.8 | Low | 214 Ų | 214 | 75.6 Ų | 75.6 | 100% | 1 | 41% | 0.41 | S | S | * | . | trans | -71.1 | 41.2 | -170.3 | -63.3 | 174.8 | 137.1 | 0 | 0 | 115.1 | ||||
| 59 | G | 61.2 | Low | 68.3 | Low | 25 Ų | 25 | 70.2 Ų | 70.2 | 26% | 0.258 | 38% | 0.384 | S | S | . | . | trans | -101.4 | 132 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T57 R61 | T57-G59 PolarHBondContact O-N 3.02Å; G59-R61 PolarHBondContact O-N 3.2Å | ||
| 60 | R | 83.7 | Confident | 70.8 | Confident | 74 Ų | 74 | 67.7 Ų | 67.7 | 28% | 0.279 | 37% | 0.369 | S | S | . | . | trans | -56.6 | 130.4 | 170.1 | -68.8 | 172 | 77 | -149.4 | 0.8 | 109 | A115 R116 Q236 D238 | R60-A115 HydrophobicContact CB-CB 4.27Å; R60-A115 CarbonylContact O-C 3.38Å; R60-A115 WeakPolarHBondContact O-CA 3.24Å; R60-R116 PolarHBondContact O-N 3.32Å; R60-Q236 VanDerWaalsContact CZ-O 3.29Å; R60-Q236 PolarHBondContact NH1-O 3.12Å; R60-Q236 PolarHBondContact NH2-O 2.91Å; R60-D238 IonicContact CZ-OD1 3.86Å; R60-D238 IonicContact CZ-OD2 2.86Å; R60-D238 VanDerWaalsContact CZ-OD2 3.32Å; R60-D238 IonicContact NE-OD1 3.01Å; R60-D238 IonicContact NE-OD2 3.84Å; R60-D238 PolarHBondContact NE-OD2 3.49Å; R60-D238 IonicContact NH2-OD1 2.98Å; R60-D238 PolarHBondContact NH2-OD1 3.48Å; R60-D238 IonicContact NH2-OD2 3.81Å; R60-D238 PolarHBondContact NH2-OD2 3.39Å | ||
| 61 | R | 93.1 | Very high | 73.8 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 28% | 0.283 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.3 | 179.9 | -56.1 | -177.5 | -169.7 | 167.2 | 3.3 | 109.7 | G59 R116 Y140 V142 D146 | G59-R61 PolarHBondContact O-N 3.2Å; R61-R116 CarbonylContact C-O 3.18Å; R61-R116 WeakPolarHBondContact CA-O 3.16Å; R61-Y140 WeakPolarHBondContact CD-O 3.43Å; R61-Y140 PolarHBondContact NH1-O 3.19Å; R61-V142 HydrophobicContact CB-CG2 4.04Å; R61-D146 WeakPolarHBondContact O-CB 3.43Å |
| 62 | K | 96.6 | Very high | 76.4 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 13% | 0.126 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 144.8 | 176.2 | -63 | -66.1 | -173.3 | -173.7 | 0 | 110.1 | R116 V117 V118 D146 L234 | K62-R116 PolarHBondContact N-O 2.65Å; K62-V117 HydrophobicContact CB-CG2 4.44Å; K62-V117 WeakPolarHBondContact O-CA 3.32Å; K62-V118 PolarHBondContact O-N 2.86Å; K62-D146 WeakPolarHBondContact CA-O 3.33Å; K62-D146 HydrophobicContact CD-CB 3.97Å; K62-D146 IonicContact NZ-OD1 3.57Å; K62-D146 PolarHBondContact NZ-OD1 3.05Å; K62-L234 HydrophobicContact CB-CD2 3.78Å; K62-L234 HydrophobicContact CG-CD2 3.92Å |
| 63 | L | 98.4 | Very high | 78.9 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 113.7 | 172.1 | 174 | 63 | 0 | 0 | 0 | 108.6 | V65 V118 L120 V133 A136 A137 V142 D146 I147 L148 | L63-V65 HydrophobicContact CD1-CG2 4.2Å; L63-V65 HydrophobicContact CD2-CG2 4.07Å; L63-V65 HydrophobicContact CG-CG2 3.72Å; L63-V118 CarbonylContact C-O 3.47Å; L63-V118 WeakPolarHBondContact CA-O 3.31Å; L63-V118 HydrophobicContact CD1-CB 3.7Å; L63-V118 HydrophobicContact CD1-CG1 3.67Å; L63-L120 HydrophobicContact CD1-CB 3.78Å; L63-L120 HydrophobicContact CD1-CD2 4.32Å; L63-V133 HydrophobicContact CD2-CG1 4.35Å; L63-A136 HydrophobicContact CD1-CB 4.36Å; L63-A136 HydrophobicContact CD2-CB 4.03Å; L63-A137 HydrophobicContact CD2-CB 4.49Å; L63-V142 HydrophobicContact CB-CB 4.27Å; L63-V142 HydrophobicContact CB-CG1 3.82Å; L63-V142 HydrophobicContact CB-CG2 4.26Å; L63-D146 PolarHBondContact N-O 2.66Å; L63-I147 HydrophobicContact CB-CG1 4.21Å; L63-I147 HydrophobicContact CB-CG2 4.44Å; L63-I147 HydrophobicContact CD2-CD1 4.21Å; L63-I147 HydrophobicContact CD2-CG1 4.12Å; L63-I147 HydrophobicContact CD2-CG2 4.11Å; L63-I147 HydrophobicContact CG-CG2 4.25Å; L63-I147 CarbonylContact O-C 3.49Å; L63-I147 VanDerWaalsContact O-CA 3.32Å; L63-I147 WeakPolarHBondContact O-CA 3.47Å; L63-L148 PolarHBondContact O-N 3.38Å |
| 64 | V | 98.7 | Very high | 81.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 120.4 | 175.3 | -169.4 | 0 | 0 | 0 | 0 | 108.5 | L84 L87 V117 V118 L119 L120 L148 V150 L230 L234 | V64-L84 HydrophobicContact CG1-CD1 4Å; V64-L87 HydrophobicContact CG1-CD2 4.35Å; V64-V117 HydrophobicContact CG2-CG1 4.02Å; V64-V118 PolarHBondContact N-O 3.29Å; V64-L119 HydrophobicContact CB-CD2 3.84Å; V64-L119 HydrophobicContact CG2-CD2 4.21Å; V64-L119 CarbonylContact O-C 3.44Å; V64-L119 WeakPolarHBondContact O-CA 3.49Å; V64-L120 PolarHBondContact O-N 3.46Å; V64-L148 CarbonylContact C-O 3.58Å; V64-L148 WeakPolarHBondContact CA-O 3.47Å; V64-L148 HydrophobicContact CG2-CB 4.49Å; V64-V150 HydrophobicContact CG1-CG2 4.21Å; V64-L230 HydrophobicContact CG1-CD1 4.39Å; V64-L230 HydrophobicContact CG1-CD2 4.33Å; V64-L234 HydrophobicContact CG2-CD1 4.32Å; V64-L234 HydrophobicContact CG2-CD2 3.88Å |
| 65 | V | 98.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.1 | -173 | -169.9 | 0 | 0 | 0 | 0 | 110.7 | L63 L67 L120 P122 V133 I147 L148 L149 V150 | L63-V65 HydrophobicContact CD1-CG2 4.2Å; L63-V65 HydrophobicContact CD2-CG2 4.07Å; L63-V65 HydrophobicContact CG-CG2 3.72Å; V65-L67 HydrophobicContact CG1-CD2 3.82Å; V65-L120 WeakPolarHBondContact CA-O 3.32Å; V65-L120 HydrophobicContact CG1-CB 4.44Å; V65-L120 HydrophobicContact CG1-CD2 4.14Å; V65-L120 HydrophobicContact CG1-CG 4.3Å; V65-L120 HydrophobicContact CG2-CB 4.33Å; V65-L120 HydrophobicContact CG2-CD2 4.15Å; V65-P122 HydrophobicContact CG1-CG 3.97Å; V65-V133 HydrophobicContact CB-CG2 4.38Å; V65-V133 HydrophobicContact CG1-CG2 3.64Å; V65-V133 HydrophobicContact CG2-CG1 4.22Å; V65-V133 HydrophobicContact CG2-CG2 4.06Å; V65-I147 HydrophobicContact CG2-CG2 3.96Å; V65-L148 PolarHBondContact N-O 3.37Å; V65-L149 HydrophobicContact CB-CD2 3.79Å; V65-L149 HydrophobicContact CG1-CD2 4.41Å; V65-L149 HydrophobicContact CG2-CD2 3.88Å; V65-V150 PolarHBondContact O-N 3.43Å |
| 66 | G | 98.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 102.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | G80 M81 L84 L120 P122 | G66-G80 VanDerWaalsContact CA-C 3.43Å; G66-G80 WeakPolarHBondContact CA-O 3.37Å; G66-M81 VanDerWaalsContact O-CG 3.3Å; G66-M81 WeakPolarHBondContact O-CG 3.43Å; G66-L84 VanDerWaalsContact CA-CD1 3.49Å; G66-L120 PolarHBondContact N-O 2.63Å; G66-P122 WeakPolarHBondContact O-CD 3.49Å |
| 67 | L | 98.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -68.6 | 142.1 | 177 | -58 | -171.6 | 0 | 0 | 0 | 109.9 | V65 M81 M126 N129 V150 H151 V175 | V65-L67 HydrophobicContact CG1-CD2 3.82Å; L67-M81 PolarHBondContact O-N 3.46Å; L67-M126 HydrophobicContact CB-CE 4.24Å; L67-M126 HydrophobicContact CB-SD 4.07Å; L67-N129 HydrophobicContact CD2-CB 4.09Å; L67-V150 PolarHBondContact N-O 2.86Å; L67-H151 HydrophobicContact CB-CB 4.22Å; L67-H151 HydrophobicContact CD1-CB 3.94Å; L67-H151 HydrophobicContact CG-CB 4.34Å; L67-V175 HydrophobicContact CD1-CG2 3.89Å | ||
| 68 | G | 98.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | 176.6 | -178 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M81 M126 N129 | G68-M81 VanDerWaalsContact C-CE 3.41Å; G68-M126 VanDerWaalsContact CA-CE 3.41Å; G68-N129 PolarHBondContact N-OD1 3.45Å; G68-N129 PolarHBondContact O-ND2 3.27Å; G68-N129 PolarHBondContact O-OD1 2.82Å | ||
| 69 | N | 97.6 | Very high | 94.8 | Very high | 10 Ų | 10 | 26.8 Ų | 26.8 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | trans | -114.3 | 131.8 | 171.4 | -68.4 | -71.8 | 0 | 0 | 0 | 109.9 | M72 S78 M126 | N69-M72 HydrophobicContact CB-CB 4.17Å; N69-M72 HydrophobicContact CB-CE 3.22Å; N69-M72 HydrophobicContact CB-CG 4.37Å; N69-M72 WeakPolarHBondContact ND2-CE 3.43Å; N69-M72 PolarHBondContact O-N 3.4Å; N69-S78 PolarHBondContact N-OG 2.97Å; N69-S78 PolarHBondContact O-OG 3.41Å; N69-M126 WeakPolarHBondContact OD1-CB 3.38Å; N69-M126 PolarHBondContact OD1-N 2.88Å | ||
| 70 | P | 94.1 | Very high | 96.6 | Very high | 56 Ų | 56 | 25.6 Ų | 25.6 | 36% | 0.364 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 138.3 | 174.6 | -24.6 | 35.5 | 0 | 0 | 0 | 112.1 | M72 R123 L124 | P70-M72 PolarHBondContact O-N 3.36Å; P70-R123 VanDerWaalsContact CG-C 3.43Å; P70-R123 HydrophobicContact CG-CB 4.45Å; P70-L124 VanDerWaalsContact CD-O 3.22Å; P70-L124 WeakPolarHBondContact CD-O 3.31Å |
| 71 | G | 95.1 | Very high | 97.3 | Very high | 58 Ų | 58 | 23 Ų | 23 | 60% | 0.598 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | 8.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E73 | G71-E73 WeakPolarHBondContact CA-OE1 3.35Å; G71-E73 VanDerWaalsContact CA-OE2 3.26Å; G71-E73 WeakPolarHBondContact CA-OE2 3.44Å; G71-E73 PolarHBondContact N-OE1 3.14Å; G71-E73 VanDerWaalsContact N-OE1 3.1Å |
| 72 | M | 96.5 | Very high | 97.5 | Very high | 59 Ų | 59 | 21.2 Ų | 21.2 | 29% | 0.291 | 13% | 0.133 | S | C | . | . | trans | -119.7 | 40.6 | 174.7 | -65.6 | -153.1 | -61.8 | 0 | 0 | 111.6 | N69 P70 T75 S78 L208 | N69-M72 HydrophobicContact CB-CB 4.17Å; N69-M72 HydrophobicContact CB-CE 3.22Å; N69-M72 HydrophobicContact CB-CG 4.37Å; N69-M72 WeakPolarHBondContact ND2-CE 3.43Å; N69-M72 PolarHBondContact O-N 3.4Å; P70-M72 PolarHBondContact O-N 3.36Å; M72-T75 HydrophobicContact CB-CG2 3.94Å; M72-T75 WeakPolarHBondContact O-CB 3.32Å; M72-T75 WeakPolarHBondContact O-CG2 3.36Å; M72-T75 PolarHBondContact O-N 2.88Å; M72-T75 PolarHBondContact O-OG1 3.26Å; M72-S78 VanDerWaalsContact O-CB 3.29Å; M72-S78 WeakPolarHBondContact O-CB 3.11Å; M72-S78 PolarHBondContact O-OG 2.95Å; M72-L208 HydrophobicContact CE-CD2 3.45Å; M72-L208 VanDerWaalsContact CE-CD2 3.45Å; M72-L208 HydrophobicContact SD-CD2 4.19Å | ||
| 73 | E | 94.3 | Very high | 97.6 | Very high | 112 Ų | 112 | 19.8 Ų | 19.8 | 52% | 0.523 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 136.9 | 174.9 | -60.1 | 73.9 | -159 | 0 | 0 | 110.1 | G71 T75 R210 | G71-E73 WeakPolarHBondContact CA-OE1 3.35Å; G71-E73 VanDerWaalsContact CA-OE2 3.26Å; G71-E73 WeakPolarHBondContact CA-OE2 3.44Å; G71-E73 PolarHBondContact N-OE1 3.14Å; G71-E73 VanDerWaalsContact N-OE1 3.1Å; E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 3.4Å; E73-R210 VanDerWaalsContact O-CZ 3.25Å; E73-R210 PolarHBondContact O-NH1 3.18Å; E73-R210 PolarHBondContact O-NH2 2.94Å |
| 74 | G | 94.1 | Very high | 97.6 | Very high | 24 Ų | 24 | 19.8 Ų | 19.8 | 25% | 0.247 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | -1.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R210 F211 | G74-R210 VanDerWaalsContact O-CA 3.31Å; G74-R210 WeakPolarHBondContact O-CA 3.46Å; G74-F211 WeakPolarHBondContact O-CD2 3.46Å; G74-F211 PolarHBondContact O-N 3.21Å |
| 75 | T | 98.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 20.6 Ų | 20.6 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -76.8 | 153 | 167.3 | 65.5 | 0 | 0 | 0 | 0 | 111.5 | M72 E73 H77 S78 V79 L208 S209 R210 | M72-T75 HydrophobicContact CB-CG2 3.94Å; M72-T75 WeakPolarHBondContact O-CB 3.32Å; M72-T75 WeakPolarHBondContact O-CG2 3.36Å; M72-T75 PolarHBondContact O-N 2.88Å; M72-T75 PolarHBondContact O-OG1 3.26Å; E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 3.4Å; T75-H77 PolarHBondContact O-N 3.38Å; T75-S78 PolarHBondContact O-N 3.5Å; T75-S78 PolarHBondContact OG1-N 3.02Å; T75-S78 PolarHBondContact OG1-OG 3.16Å; T75-V79 PolarHBondContact O-N 3.25Å; T75-L208 VanDerWaalsContact CG2-O 3.22Å; T75-L208 WeakPolarHBondContact CG2-O 3.49Å; T75-S209 WeakPolarHBondContact CA-O 3.4Å; T75-R210 HydrophobicContact CG2-CG 4.23Å |
| 76 | R | 98.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 21.9 Ų | 21.9 | 5% | 0.053 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -55.4 | -40.4 | 176.1 | -72.1 | 173.7 | -176.6 | 71.3 | -6.4 | 111.7 | S78 V79 D152 I194 H206 V207 S209 R210 F211 E215 | R76-S78 PolarHBondContact O-N 2.86Å; R76-V79 WeakPolarHBondContact O-CB 3.28Å; R76-V79 WeakPolarHBondContact O-CG1 3.49Å; R76-V79 PolarHBondContact O-N 3.41Å; R76-D152 WeakPolarHBondContact O-CB 3.15Å; R76-I194 HydrophobicContact CB-CB 4.35Å; R76-I194 HydrophobicContact CB-CD1 3.93Å; R76-I194 HydrophobicContact CB-CG2 4.17Å; R76-I194 HydrophobicContact CG-CB 4.33Å; R76-I194 HydrophobicContact CG-CG2 4.37Å; R76-H206 WeakPolarHBondContact CD-O 3.41Å; R76-H206 PolarHBondContact NE-CE1 3.42Å; R76-H206 VanDerWaalsContact NE-CE1 3.29Å; R76-V207 WeakPolarHBondContact CB-O 3.5Å; R76-V207 PolarHBondContact N-O 3.46Å; R76-S209 PolarHBondContact N-O 2.93Å; R76-S209 PolarHBondContact NH1-O 2.88Å; R76-S209 VanDerWaalsContact NH1-O 3.13Å; R76-S209 PolarHBondContact NH1-OG 3.11Å; R76-R210 VanDerWaalsContact NH1-C 3.33Å; R76-R210 PolarHBondContact NH1-O 3.15Å; R76-F211 HydrophobicContact CB-CE2 4.48Å; R76-F211 HydrophobicContact CB-CZ 4.18Å; R76-F211 HydrophobicContact CG-CD1 3.98Å; R76-F211 HydrophobicContact CG-CD2 4.45Å; R76-F211 HydrophobicContact CG-CE1 3.64Å; R76-F211 HydrophobicContact CG-CE2 4.13Å; R76-F211 HydrophobicContact CG-CG 4.4Å; R76-F211 HydrophobicContact CG-CZ 3.73Å; R76-E215 IonicContact CZ-OE1 3.93Å; R76-E215 IonicContact CZ-OE2 3.8Å; R76-E215 IonicContact NE-OE1 2.7Å; R76-E215 IonicContact NH2-OE1 3.19Å; R76-E215 PolarHBondContact NH2-OE1 2.92Å; R76-E215 IonicContact NH2-OE2 3.85Å; R76-E215 PolarHBondContact NH2-OE2 3.28Å |
| 77 | H | 98.1 | Very high | 97.6 | Very high | 17 Ų | 17 | 21.9 Ų | 21.9 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -72.7 | -13.8 | -179.2 | -141 | 23.1 | 0 | 0 | 0 | 114.1 | T75 M126 D152 H172 V207 | T75-H77 PolarHBondContact O-N 3.38Å; H77-M126 HydrophobicContact CB-CE 4.41Å; H77-M126 WeakPolarHBondContact NE2-CG 3.47Å; H77-M126 WeakPolarHBondContact O-CE 3.47Å; H77-D152 IonicContact CE1-OD1 2.66Å; H77-D152 IonicContact CE1-OD2 3.44Å; H77-D152 IonicContact CG-OD1 3.78Å; H77-D152 IonicContact ND1-OD1 2.78Å; H77-D152 PolarHBondContact ND1-OD1 3.01Å; H77-D152 IonicContact ND1-OD2 3.62Å; H77-D152 PolarHBondContact ND1-OD2 3.43Å; H77-H172 AromaticContact CE1-CD2 3.94Å; H77-H172 AromaticContact CE1-CE1 3.88Å; H77-H172 AromaticContact CE1-NE2 3.52Å; H77-H172 AromaticContact ND1-NE2 3.8Å; H77-V207 HydrophobicContact CB-CB 3.93Å; H77-V207 HydrophobicContact CB-CG2 4.24Å; H77-V207 WeakPolarHBondContact CB-O 3.28Å; H77-V207 PolarHBondContact N-O 3.44Å |
| 78 | S | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -105.3 | 14.3 | 175.6 | -64.7 | 0 | 0 | 0 | 0 | 112.4 | N69 M72 T75 R76 G80 M81 A82 | N69-S78 PolarHBondContact N-OG 2.97Å; N69-S78 PolarHBondContact O-OG 3.41Å; M72-S78 VanDerWaalsContact O-CB 3.29Å; M72-S78 WeakPolarHBondContact O-CB 3.11Å; M72-S78 PolarHBondContact O-OG 2.95Å; T75-S78 PolarHBondContact O-N 3.5Å; T75-S78 PolarHBondContact OG1-N 3.02Å; T75-S78 PolarHBondContact OG1-OG 3.16Å; R76-S78 PolarHBondContact O-N 2.86Å; S78-G80 PolarHBondContact O-N 2.88Å; S78-M81 WeakPolarHBondContact O-CB 3.16Å; S78-M81 PolarHBondContact O-N 2.95Å; S78-M81 VanDerWaalsContact O-N 3.08Å; S78-A82 PolarHBondContact O-N 3.4Å |
| 79 | V | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.2 | -29.7 | 179 | 74.1 | 0 | 0 | 0 | 0 | 112.4 | T75 R76 M81 A82 V83 D152 V192 F211 L219 | T75-V79 PolarHBondContact O-N 3.25Å; R76-V79 WeakPolarHBondContact O-CB 3.28Å; R76-V79 WeakPolarHBondContact O-CG1 3.49Å; R76-V79 PolarHBondContact O-N 3.41Å; V79-M81 PolarHBondContact O-N 3.46Å; V79-A82 WeakPolarHBondContact O-CB 3.44Å; V79-A82 PolarHBondContact O-N 3.21Å; V79-V83 WeakPolarHBondContact O-CG2 3.4Å; V79-V83 PolarHBondContact O-N 2.95Å; V79-D152 HydrophobicContact CG1-CB 3.76Å; V79-V192 HydrophobicContact CG1-CB 3.99Å; V79-V192 HydrophobicContact CG1-CG1 4.22Å; V79-V192 HydrophobicContact CG2-CB 4.4Å; V79-V192 HydrophobicContact CG2-CG1 3.82Å; V79-F211 HydrophobicContact CB-CE2 4.29Å; V79-F211 HydrophobicContact CB-CZ 4.26Å; V79-F211 HydrophobicContact CG2-CE2 4.22Å; V79-F211 HydrophobicContact CG2-CZ 4.08Å; V79-L219 HydrophobicContact CG2-CD1 3.87Å |
| 80 | G | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G66 S78 A82 V83 L84 V150 | G66-G80 VanDerWaalsContact CA-C 3.43Å; G66-G80 WeakPolarHBondContact CA-O 3.37Å; S78-G80 PolarHBondContact O-N 2.88Å; G80-A82 VanDerWaalsContact C-N 3.33Å; G80-A82 PolarHBondContact O-N 3.44Å; G80-V83 PolarHBondContact O-N 2.87Å; G80-L84 PolarHBondContact O-N 3.32Å; G80-V150 WeakPolarHBondContact CA-O 3.39Å |
| 81 | M | 98.6 | Very high | 97.7 | Very high | 19 Ų | 19 | 30.2 Ų | 30.2 | 9% | 0.094 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66 | -36.1 | 175.4 | -66.5 | 178.2 | 169 | 0 | 0 | 112.3 | G66 L67 G68 S78 V79 L84 G85 R121 P122 | G66-M81 VanDerWaalsContact O-CG 3.3Å; G66-M81 WeakPolarHBondContact O-CG 3.43Å; L67-M81 PolarHBondContact O-N 3.46Å; G68-M81 VanDerWaalsContact C-CE 3.41Å; S78-M81 WeakPolarHBondContact O-CB 3.16Å; S78-M81 PolarHBondContact O-N 2.95Å; S78-M81 VanDerWaalsContact O-N 3.08Å; V79-M81 PolarHBondContact O-N 3.46Å; M81-L84 PolarHBondContact O-N 3.42Å; M81-G85 PolarHBondContact O-N 2.7Å; M81-R121 HydrophobicContact CB-CG 4.47Å; M81-R121 HydrophobicContact CE-CB 4.5Å; M81-R121 HydrophobicContact CG-CG 4.21Å; M81-R121 PolarHBondContact O-NE 2.76Å; M81-R121 PolarHBondContact O-NH2 3.48Å; M81-P122 WeakPolarHBondContact CE-O 3.45Å |
| 82 | A | 98.6 | Very high | 97.9 | Very high | 37 Ų | 37 | 29.9 Ų | 29.9 | 31% | 0.306 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S78 V79 G80 L84 G85 A86 L223 | S78-A82 PolarHBondContact O-N 3.4Å; V79-A82 WeakPolarHBondContact O-CB 3.44Å; V79-A82 PolarHBondContact O-N 3.21Å; G80-A82 VanDerWaalsContact C-N 3.33Å; G80-A82 PolarHBondContact O-N 3.44Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 3.04Å; A82-G85 WeakPolarHBondContact O-CA 3.43Å; A82-G85 PolarHBondContact O-N 2.86Å; A82-A86 PolarHBondContact O-N 3Å; A82-L223 HydrophobicContact CB-CD2 4.18Å |
| 83 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.6 | -44 | 173.7 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | V79 G80 G85 A86 L87 V150 L190 V192 L223 L230 | V79-V83 WeakPolarHBondContact O-CG2 3.4Å; V79-V83 PolarHBondContact O-N 2.95Å; G80-V83 PolarHBondContact O-N 2.87Å; V83-G85 PolarHBondContact O-N 3.41Å; V83-A86 PolarHBondContact O-N 2.95Å; V83-L87 PolarHBondContact O-N 2.89Å; V83-V150 HydrophobicContact CB-CG1 3.86Å; V83-V150 HydrophobicContact CG1-CG1 3.86Å; V83-V150 HydrophobicContact CG2-CG1 4.11Å; V83-L190 HydrophobicContact CG1-CD2 4.28Å; V83-V192 HydrophobicContact CG2-CG2 4.1Å; V83-L223 HydrophobicContact CB-CD2 4.38Å; V83-L223 HydrophobicContact CG2-CD2 3.71Å; V83-L230 HydrophobicContact CG1-CD1 3.58Å |
| 84 | L | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63 | -31.5 | 175.2 | -101.5 | 67.1 | 0 | 0 | 0 | 113 | V64 G66 G80 M81 A82 L87 A88 W97 L119 L120 R121 V150 | V64-L84 HydrophobicContact CG1-CD1 4Å; G66-L84 VanDerWaalsContact CA-CD1 3.49Å; G80-L84 PolarHBondContact O-N 3.32Å; M81-L84 PolarHBondContact O-N 3.42Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 3.04Å; L84-L87 PolarHBondContact O-N 3.34Å; L84-A88 WeakPolarHBondContact O-CB 3.38Å; L84-A88 PolarHBondContact O-N 3.31Å; L84-W97 HydrophobicContact CB-CZ2 4.46Å; L84-W97 HydrophobicContact CD2-CH2 4.17Å; L84-L119 HydrophobicContact CD2-CB 4.48Å; L84-L120 WeakPolarHBondContact CD2-O 3.29Å; L84-R121 HydrophobicContact CD2-CG 4.14Å; L84-V150 HydrophobicContact CD1-CB 4.18Å; L84-V150 HydrophobicContact CD1-CG2 3.74Å |
| 85 | G | 98.5 | Very high | 98.3 | Very high | 17 Ų | 17 | 29.4 Ų | 29.4 | 18% | 0.175 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.4 | -47.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | M81 A82 V83 L87 A88 A89 R121 | M81-G85 PolarHBondContact O-N 2.7Å; A82-G85 WeakPolarHBondContact O-CA 3.43Å; A82-G85 PolarHBondContact O-N 2.86Å; V83-G85 PolarHBondContact O-N 3.41Å; G85-L87 VanDerWaalsContact C-N 3.29Å; G85-L87 PolarHBondContact O-N 3.21Å; G85-A88 PolarHBondContact O-N 2.76Å; G85-A89 WeakPolarHBondContact O-CB 3.42Å; G85-A89 PolarHBondContact O-N 3.05Å; G85-R121 VanDerWaalsContact N-NH2 3.12Å |
| 86 | A | 98.8 | Very high | 98.2 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 22% | 0.223 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61 | -39.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A82 V83 A89 R90 L223 V227 | A82-A86 PolarHBondContact O-N 3Å; V83-A86 PolarHBondContact O-N 2.95Å; A86-A89 PolarHBondContact O-N 3.31Å; A86-R90 WeakPolarHBondContact O-CB 3.41Å; A86-R90 PolarHBondContact O-N 2.93Å; A86-L223 HydrophobicContact CB-CB 4.12Å; A86-V227 HydrophobicContact CB-CG2 3.62Å |
| 87 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -50.2 | 175.8 | 178.5 | 61.4 | 0 | 0 | 0 | 111.3 | V64 V83 L84 G85 A89 R90 L91 L119 V227 L230 I231 | V64-L87 HydrophobicContact CG1-CD2 4.35Å; V83-L87 PolarHBondContact O-N 2.89Å; L84-L87 PolarHBondContact O-N 3.34Å; G85-L87 VanDerWaalsContact C-N 3.29Å; G85-L87 PolarHBondContact O-N 3.21Å; L87-A89 VanDerWaalsContact C-N 3.26Å; L87-A89 PolarHBondContact O-N 2.89Å; L87-R90 PolarHBondContact O-N 3.13Å; L87-L91 HydrophobicContact CD1-CD1 3.91Å; L87-L91 HydrophobicContact CD1-CG 4.06Å; L87-L91 HydrophobicContact CG-CD1 3.96Å; L87-L91 HydrophobicContact CG-CG 4.45Å; L87-L91 WeakPolarHBondContact O-CB 3.45Å; L87-L91 VanDerWaalsContact O-CG 3.3Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 2.84Å; L87-L119 HydrophobicContact CD2-CD2 3.76Å; L87-V227 HydrophobicContact CB-CG2 4.13Å; L87-V227 HydrophobicContact CD1-CG1 4.07Å; L87-L230 HydrophobicContact CD1-CB 4.47Å; L87-L230 HydrophobicContact CD2-CB 4.28Å; L87-L230 HydrophobicContact CD2-CD1 3.91Å; L87-I231 HydrophobicContact CD1-CD1 4.4Å; L87-I231 HydrophobicContact CD1-CG1 3.91Å |
| 88 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -38.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | L84 G85 L91 G92 V93 A94 W97 I108 L119 | L84-A88 WeakPolarHBondContact O-CB 3.38Å; L84-A88 PolarHBondContact O-N 3.31Å; G85-A88 PolarHBondContact O-N 2.76Å; A88-L91 PolarHBondContact O-N 2.85Å; A88-G92 PolarHBondContact O-N 2.82Å; A88-V93 HydrophobicContact CB-CG2 4.26Å; A88-V93 WeakPolarHBondContact O-CG2 3.26Å; A88-V93 PolarHBondContact O-N 2.86Å; A88-A94 HydrophobicContact CB-CB 4.23Å; A88-A94 PolarHBondContact O-N 2.89Å; A88-W97 HydrophobicContact CB-CZ2 4.31Å; A88-I108 HydrophobicContact CB-CD1 3.77Å; A88-L119 HydrophobicContact CB-CD1 3.94Å |
| 89 | A | 98.4 | Very high | 98.2 | Very high | 61 Ų | 61 | 42.8 Ų | 42.8 | 50% | 0.504 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.6 | -46.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G85 A86 L87 L91 G92 A94 | G85-A89 WeakPolarHBondContact O-CB 3.42Å; G85-A89 PolarHBondContact O-N 3.05Å; A86-A89 PolarHBondContact O-N 3.31Å; L87-A89 VanDerWaalsContact C-N 3.26Å; L87-A89 PolarHBondContact O-N 2.89Å; A89-L91 PolarHBondContact O-N 2.8Å; A89-G92 PolarHBondContact O-N 2.95Å; A89-A94 HydrophobicContact CB-CB 4.31Å |
| 90 | R | 97.7 | Very high | 98.2 | Very high | 131 Ų | 131 | 43.5 Ų | 43.5 | 49% | 0.494 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.7 | -33.3 | 177 | -180 | 63.4 | 74.4 | 82.8 | 1.3 | 112.5 | A86 L87 G92 V227 D228 I231 | A86-R90 WeakPolarHBondContact O-CB 3.41Å; A86-R90 PolarHBondContact O-N 2.93Å; L87-R90 PolarHBondContact O-N 3.13Å; R90-G92 VanDerWaalsContact C-N 3.29Å; R90-V227 HydrophobicContact CB-CG1 3.7Å; R90-V227 HydrophobicContact CG-CG1 3.71Å; R90-D228 IonicContact CZ-OD1 3.84Å; R90-D228 IonicContact NH1-OD1 3.59Å; R90-D228 PolarHBondContact NH1-OD1 3.27Å; R90-D228 IonicContact NH2-OD1 2.59Å; R90-I231 HydrophobicContact CG-CD1 3.88Å |
| 91 | L | 96.9 | Very high | 98.1 | Very high | 48 Ų | 48 | 54.8 Ų | 54.8 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -3.6 | 176.7 | -66.9 | 177.6 | 0 | 0 | 0 | 113.5 | L87 A88 A89 V93 T110 V112 | L87-L91 HydrophobicContact CD1-CD1 3.91Å; L87-L91 HydrophobicContact CD1-CG 4.06Å; L87-L91 HydrophobicContact CG-CD1 3.96Å; L87-L91 HydrophobicContact CG-CG 4.45Å; L87-L91 WeakPolarHBondContact O-CB 3.45Å; L87-L91 VanDerWaalsContact O-CG 3.3Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 2.84Å; A88-L91 PolarHBondContact O-N 2.85Å; A89-L91 PolarHBondContact O-N 2.8Å; L91-V93 VanDerWaalsContact C-N 3.32Å; L91-V93 HydrophobicContact CB-CG2 3.83Å; L91-V93 PolarHBondContact O-N 3.37Å; L91-T110 HydrophobicContact CD1-CG2 4.21Å; L91-V112 HydrophobicContact CD1-CG2 4.03Å; L91-V112 HydrophobicContact CD2-CG2 3.99Å |
| 92 | G | 97.8 | Very high | 98 | Very high | 52 Ų | 52 | 59.2 Ų | 59.2 | 54% | 0.536 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 30 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A88 A89 R90 | A88-G92 PolarHBondContact O-N 2.82Å; A89-G92 PolarHBondContact O-N 2.95Å; R90-G92 VanDerWaalsContact C-N 3.29Å |
| 93 | V | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | trans | -128.8 | 11.1 | -176 | -59.2 | 0 | 0 | 0 | 0 | 113.5 | A88 L91 D95 R96 I108 | A88-V93 HydrophobicContact CB-CG2 4.26Å; A88-V93 WeakPolarHBondContact O-CG2 3.26Å; A88-V93 PolarHBondContact O-N 2.86Å; L91-V93 VanDerWaalsContact C-N 3.32Å; L91-V93 HydrophobicContact CB-CG2 3.83Å; L91-V93 PolarHBondContact O-N 3.37Å; V93-D95 PolarHBondContact O-N 3.03Å; V93-R96 HydrophobicContact CB-CG 4.25Å; V93-R96 WeakPolarHBondContact O-CB 3.42Å; V93-R96 PolarHBondContact O-N 3.41Å; V93-I108 HydrophobicContact CB-CG2 4.13Å; V93-I108 HydrophobicContact CG2-CD1 4.24Å; V93-I108 HydrophobicContact CG2-CG2 3.86Å; V93-I108 WeakPolarHBondContact O-CD1 3.39Å | ||
| 94 | A | 97.4 | Very high | 97.9 | Very high | 45 Ų | 45 | 58.9 Ų | 58.9 | 37% | 0.372 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -62.2 | -26.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | A88 A89 R96 | A88-A94 HydrophobicContact CB-CB 4.23Å; A88-A94 PolarHBondContact O-N 2.89Å; A89-A94 HydrophobicContact CB-CB 4.31Å; A94-R96 PolarHBondContact O-N 2.9Å |
| 95 | D | 97.6 | Very high | 97.9 | Very high | 137 Ų | 137 | 58.9 Ų | 58.9 | 73% | 0.733 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -74.6 | -10.7 | 175.2 | 62.5 | -32.1 | 0 | 0 | 0 | 113.4 | V93 | V93-D95 PolarHBondContact O-N 3.03Š|
| 96 | R | 97.9 | Very high | 97.9 | Very high | 137 Ų | 137 | 61 Ų | 61 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -92.2 | 1.7 | -175.5 | -49.3 | -174 | -165.3 | 178 | 3.1 | 114.2 | V93 A94 H98 I108 | V93-R96 HydrophobicContact CB-CG 4.25Å; V93-R96 WeakPolarHBondContact O-CB 3.42Å; V93-R96 PolarHBondContact O-N 3.41Å; A94-R96 PolarHBondContact O-N 2.9Å; R96-H98 PolarHBondContact O-N 3.47Å; R96-I108 HydrophobicContact CB-CG1 4.28Å; R96-I108 HydrophobicContact CB-CG2 4.48Å |
| 97 | W | 98 | Very high | 97.9 | Very high | 46 Ų | 46 | 59.8 Ų | 59.8 | 17% | 0.174 | 31% | 0.309 | C | S | . | . | trans | -57.1 | 123.5 | 174.3 | -78.6 | 112.4 | 0 | 0 | 0 | 109.5 | L84 A88 E106 I108 L119 R121 | L84-W97 HydrophobicContact CB-CZ2 4.46Å; L84-W97 HydrophobicContact CD2-CH2 4.17Å; A88-W97 HydrophobicContact CB-CZ2 4.31Å; W97-E106 HydrophobicContact CE3-CB 3.66Å; W97-E106 HydrophobicContact CZ3-CB 4.19Å; W97-E106 VanDerWaalsContact CZ3-O 3.29Å; W97-E106 WeakPolarHBondContact CZ3-O 3.26Å; W97-I108 HydrophobicContact CB-CD1 4.5Å; W97-I108 HydrophobicContact CB-CG1 4.43Å; W97-I108 HydrophobicContact CD2-CD1 3.46Å; W97-I108 VanDerWaalsContact CD2-CD1 3.46Å; W97-I108 HydrophobicContact CD2-CG1 3.67Å; W97-I108 HydrophobicContact CE3-CD1 4.06Å; W97-I108 HydrophobicContact CE3-CG1 3.8Å; W97-I108 HydrophobicContact CG-CD1 3.66Å; W97-I108 HydrophobicContact CG-CG1 3.97Å; W97-I108 HydrophobicContact CH2-CD1 4.38Å; W97-I108 HydrophobicContact CZ2-CD1 3.85Å; W97-I108 HydrophobicContact CZ2-CG1 4.49Å; W97-I108 HydrophobicContact CZ3-CD1 4.48Å; W97-I108 HydrophobicContact CZ3-CG1 4.26Å; W97-L119 HydrophobicContact CH2-CB 3.64Å; W97-L119 HydrophobicContact CZ2-CB 4.26Å; W97-L119 HydrophobicContact CZ3-CB 4.28Å; W97-R121 HydrophobicContact CH2-CB 4.47Å; W97-R121 HydrophobicContact CH2-CG 3.7Å; W97-R121 HydrophobicContact CZ2-CG 4.15Å; W97-R121 HydrophobicContact CZ3-CB 4.35Å; W97-R121 HydrophobicContact CZ3-CG 4.04Å | ||
| 98 | H | 97.9 | Very high | 97.9 | Very high | 92 Ų | 92 | 59.8 Ų | 59.8 | 43% | 0.426 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 148.2 | 172.1 | 74.8 | 86.5 | 0 | 0 | 0 | 111 | R96 E106 V107 | R96-H98 PolarHBondContact O-N 3.47Å; H98-E106 CarbonylContact O-C 3.58Å; H98-E106 VanDerWaalsContact O-CA 3.29Å; H98-E106 WeakPolarHBondContact O-CA 3.33Å; H98-V107 WeakPolarHBondContact CE1-CG2 3.35Å; H98-V107 PolarHBondContact N-O 3.34Å; H98-V107 VanDerWaalsContact N-O 3.11Å; H98-V107 VanDerWaalsContact NE2-CG2 3.35Å; H98-V107 WeakPolarHBondContact NE2-CG2 3.34Å; H98-V107 PolarHBondContact O-N 3.37Å |
| 99 | G | 98.3 | Very high | 97.9 | Very high | 45 Ų | 45 | 64.3 Ų | 64.3 | 46% | 0.464 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 137.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 100 | D | 98 | Very high | 97.7 | Very high | 17 Ų | 17 | 62.6 Ų | 62.6 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 110.3 | 173 | 179.1 | -14.9 | 0 | 0 | 0 | 109.2 | H102 V103 S104 G105 V107 K139 Y140 | D100-H102 VanDerWaalsContact C-N 3.32Å; D100-H102 PolarHBondContact O-N 2.88Å; D100-H102 WeakPolarHBondContact OD1-CB 3.4Å; D100-H102 PolarHBondContact OD1-N 3.17Å; D100-V103 HydrophobicContact CB-CG2 3.66Å; D100-V103 PolarHBondContact OD1-N 2.98Å; D100-S104 WeakPolarHBondContact O-CA 3.32Å; D100-S104 PolarHBondContact O-N 3.43Å; D100-G105 PolarHBondContact N-O 2.88Å; D100-G105 PolarHBondContact O-N 3.46Å; D100-V107 HydrophobicContact CB-CG2 3.99Å; D100-K139 IonicContact OD1-NZ 2.93Å; D100-K139 IonicContact OD2-NZ 3.44Å; D100-K139 PolarHBondContact OD2-NZ 3.1Å; D100-Y140 PolarHBondContact OD2-OH 2.81Å |
| 101 | R | 97.4 | Very high | 97.5 | Very high | 237 Ų | 237 | 62.4 Ų | 62.4 | 89% | 0.894 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -35.1 | -177 | -67.1 | -176.7 | 179.9 | 174.7 | 0.4 | 112 | S104 | R101-S104 PolarHBondContact O-N 2.9Å; R101-S104 PolarHBondContact O-OG 3.46Å |
| 102 | H | 96.5 | Very high | 97.1 | Very high | 112 Ų | 112 | 60.6 Ų | 60.6 | 52% | 0.519 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -49.3 | -179 | -178.9 | 87.5 | 0 | 0 | 0 | 109.9 | D100 S104 R135 | D100-H102 VanDerWaalsContact C-N 3.32Å; D100-H102 PolarHBondContact O-N 2.88Å; D100-H102 WeakPolarHBondContact OD1-CB 3.4Å; D100-H102 PolarHBondContact OD1-N 3.17Å; H102-S104 VanDerWaalsContact C-N 3.27Å; H102-S104 PolarHBondContact O-N 2.97Å; H102-R135 WeakPolarHBondContact O-CD 2.99Å |
| 103 | V | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -6 | 178.1 | -49.3 | 0 | 0 | 0 | 0 | 112.9 | D100 G105 V107 L120 S132 A136 K139 Y140 | D100-V103 HydrophobicContact CB-CG2 3.66Å; D100-V103 PolarHBondContact OD1-N 2.98Å; V103-G105 VanDerWaalsContact C-N 3.29Å; V103-G105 PolarHBondContact O-N 3.16Å; V103-V107 HydrophobicContact CG2-CG1 3.84Å; V103-L120 HydrophobicContact CG2-CD1 4.07Å; V103-S132 WeakPolarHBondContact O-CA 3.21Å; V103-S132 WeakPolarHBondContact O-CB 3.26Å; V103-S132 PolarHBondContact O-OG 3.42Å; V103-A136 HydrophobicContact CB-CB 4.18Å; V103-A136 HydrophobicContact CG1-CB 4Å; V103-K139 HydrophobicContact CG1-CB 4.39Å; V103-K139 HydrophobicContact CG1-CD 3.81Å; V103-Y140 HydrophobicContact CG1-CE2 4.22Å |
| 104 | S | 98.1 | Very high | 95.5 | Very high | 29 Ų | 29 | 72.6 Ų | 72.6 | 20% | 0.203 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 48.9 | -175.1 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | D100 R101 H102 R123 S132 R135 | D100-S104 WeakPolarHBondContact O-CA 3.32Å; D100-S104 PolarHBondContact O-N 3.43Å; R101-S104 PolarHBondContact O-N 2.9Å; R101-S104 PolarHBondContact O-OG 3.46Å; H102-S104 VanDerWaalsContact C-N 3.27Å; H102-S104 PolarHBondContact O-N 2.97Å; S104-R123 WeakPolarHBondContact O-CA 3.17Å; S104-R123 PolarHBondContact O-N 3.38Å; S104-S132 PolarHBondContact O-OG 3.13Å; S104-R135 PolarHBondContact OG-NH1 2.83Å |
| 105 | G | 98.1 | Very high | 95 | Very high | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 176.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D100 V103 R121 | D100-G105 PolarHBondContact N-O 2.88Å; D100-G105 PolarHBondContact O-N 3.46Å; V103-G105 VanDerWaalsContact C-N 3.29Å; V103-G105 PolarHBondContact O-N 3.16Å; G105-R121 CarbonylContact C-O 3.6Å; G105-R121 VanDerWaalsContact CA-O 3.24Å; G105-R121 WeakPolarHBondContact CA-O 3.27Å |
| 106 | E | 98.4 | Very high | 94.8 | Very high | 62 Ų | 62 | 68.9 Ų | 68.9 | 29% | 0.29 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 141.1 | 161.7 | -53.2 | -178.6 | 120.1 | 0 | 0 | 108.1 | W97 H98 R121 R123 | W97-E106 HydrophobicContact CE3-CB 3.66Å; W97-E106 HydrophobicContact CZ3-CB 4.19Å; W97-E106 VanDerWaalsContact CZ3-O 3.29Å; W97-E106 WeakPolarHBondContact CZ3-O 3.26Å; H98-E106 CarbonylContact O-C 3.58Å; H98-E106 VanDerWaalsContact O-CA 3.29Å; H98-E106 WeakPolarHBondContact O-CA 3.33Å; E106-R121 HydrophobicContact CB-CB 4.41Å; E106-R121 PolarHBondContact N-O 3.42Å; E106-R121 PolarHBondContact O-N 2.84Å; E106-R123 HydrophobicContact CG-CG 3.92Å |
| 107 | V | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.9 | -177.8 | -62.2 | 0 | 0 | 0 | 0 | 111.9 | H98 D100 V103 L119 L120 | H98-V107 WeakPolarHBondContact CE1-CG2 3.35Å; H98-V107 PolarHBondContact N-O 3.34Å; H98-V107 VanDerWaalsContact N-O 3.11Å; H98-V107 VanDerWaalsContact NE2-CG2 3.35Å; H98-V107 WeakPolarHBondContact NE2-CG2 3.34Å; H98-V107 PolarHBondContact O-N 3.37Å; D100-V107 HydrophobicContact CB-CG2 3.99Å; V103-V107 HydrophobicContact CG2-CG1 3.84Å; V107-L119 WeakPolarHBondContact CA-O 3.36Å; V107-L120 HydrophobicContact CG1-CD1 3.75Å |
| 108 | I | 98.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 135.6 | 160.7 | -69.6 | 167.6 | 0 | 0 | 0 | 107 | A88 V93 R96 W97 T110 V118 L119 | A88-I108 HydrophobicContact CB-CD1 3.77Å; V93-I108 HydrophobicContact CB-CG2 4.13Å; V93-I108 HydrophobicContact CG2-CD1 4.24Å; V93-I108 HydrophobicContact CG2-CG2 3.86Å; V93-I108 WeakPolarHBondContact O-CD1 3.39Å; R96-I108 HydrophobicContact CB-CG1 4.28Å; R96-I108 HydrophobicContact CB-CG2 4.48Å; W97-I108 HydrophobicContact CB-CD1 4.5Å; W97-I108 HydrophobicContact CB-CG1 4.43Å; W97-I108 HydrophobicContact CD2-CD1 3.46Å; W97-I108 VanDerWaalsContact CD2-CD1 3.46Å; W97-I108 HydrophobicContact CD2-CG1 3.67Å; W97-I108 HydrophobicContact CE3-CD1 4.06Å; W97-I108 HydrophobicContact CE3-CG1 3.8Å; W97-I108 HydrophobicContact CG-CD1 3.66Å; W97-I108 HydrophobicContact CG-CG1 3.97Å; W97-I108 HydrophobicContact CH2-CD1 4.38Å; W97-I108 HydrophobicContact CZ2-CD1 3.85Å; W97-I108 HydrophobicContact CZ2-CG1 4.49Å; W97-I108 HydrophobicContact CZ3-CD1 4.48Å; W97-I108 HydrophobicContact CZ3-CG1 4.26Å; I108-T110 HydrophobicContact CG2-CG2 4.48Å; I108-V118 WeakPolarHBondContact O-CA 3.1Å; I108-L119 HydrophobicContact CB-CB 4.18Å; I108-L119 HydrophobicContact CB-CD1 4.35Å; I108-L119 HydrophobicContact CB-CG 4.4Å; I108-L119 HydrophobicContact CD1-CD1 4.32Å; I108-L119 PolarHBondContact N-O 3.25Å; I108-L119 PolarHBondContact O-N 3.48Å |
| 109 | L | 97.8 | Very high | 94.8 | Very high | 95 Ų | 95 | 56.3 Ų | 56.3 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126.3 | 165.5 | -58.5 | 177.6 | 0 | 0 | 0 | 108.2 | V118 Y140 | L109-V118 HydrophobicContact CD2-CB 4.25Å; L109-V118 HydrophobicContact CD2-CG1 4.06Å; L109-V118 HydrophobicContact CD2-CG2 3.66Å; L109-Y140 HydrophobicContact CD1-CE1 4.22Å; L109-Y140 HydrophobicContact CD2-CD1 4.1Å; L109-Y140 HydrophobicContact CD2-CE1 3.64Å; L109-Y140 HydrophobicContact CG-CE1 4.47Å |
| 110 | T | 95.9 | Very high | 94.8 | Very high | 24 Ų | 24 | 54.1 Ų | 54.1 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 176.1 | 179.3 | -164.7 | 0 | 0 | 0 | 0 | 110.4 | L91 I108 V117 | L91-T110 HydrophobicContact CD1-CG2 4.21Å; I108-T110 HydrophobicContact CG2-CG2 4.48Å; T110-V117 HydrophobicContact CG2-CB 4.06Å; T110-V117 PolarHBondContact N-O 2.82Å; T110-V117 PolarHBondContact O-N 3.45Å |
| 111 | E | 92.3 | Very high | 94.9 | Very high | 128 Ų | 128 | 55.6 Ų | 55.6 | 60% | 0.598 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 136.9 | 175.7 | -64.3 | -170.2 | 164 | 0 | 0 | 110.1 | A115 R116 | E111-A115 CarbonylContact C-O 3.49Å; E111-A115 VanDerWaalsContact CA-O 3.29Å; E111-A115 WeakPolarHBondContact CA-O 3.22Å; E111-R116 HydrophobicContact CG-CG 4.38Å; E111-R116 IonicContact OE1-NE 2.67Å |
| 112 | V | 89.6 | Confident | 94.9 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 6% | 0.055 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 112.3 | 176.1 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | L91 Q114 A115 V117 L234 | L91-V112 HydrophobicContact CD1-CG2 4.03Å; L91-V112 HydrophobicContact CD2-CG2 3.99Å; V112-Q114 VanDerWaalsContact C-N 3.33Å; V112-Q114 PolarHBondContact O-N 2.85Å; V112-A115 PolarHBondContact N-O 3.45Å; V112-A115 WeakPolarHBondContact O-CB 3.19Å; V112-A115 PolarHBondContact O-N 3.34Å; V112-V117 HydrophobicContact CB-CG2 3.98Å; V112-V117 HydrophobicContact CG2-CB 4.45Å; V112-V117 HydrophobicContact CG2-CG2 3.87Å; V112-L234 HydrophobicContact CB-CB 4.47Å; V112-L234 HydrophobicContact CG1-CB 4.07Å; V112-L234 HydrophobicContact CG1-CD1 4.49Å; V112-L234 HydrophobicContact CG2-CD1 4.28Å |
| 113 | Q | 79.6 | Confident | 94.9 | Very high | 136 Ų | 136 | 46.1 Ų | 46.1 | 64% | 0.636 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 43.3 | 54.7 | 176.7 | -62.2 | -178.2 | 2 | 0 | 0 | 113.3 | A115 S235 | Q113-A115 VanDerWaalsContact C-N 3.27Å; Q113-A115 PolarHBondContact O-N 2.85Å; Q113-S235 PolarHBondContact NE2-OG 3.02Å; Q113-S235 PolarHBondContact OE1-OG 3.46Å |
| 114 | Q | 81.1 | Confident | 94.9 | Very high | 171 Ų | 171 | 48 Ų | 48 | 80% | 0.799 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | -0.6 | 179.9 | -49.7 | 172 | -43.9 | 0 | 0 | 116.6 | V112 | V112-Q114 VanDerWaalsContact C-N 3.33Å; V112-Q114 PolarHBondContact O-N 2.85Å |
| 115 | A | 87.4 | Confident | 94.9 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 130.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | R60 E111 V112 Q113 V117 | R60-A115 HydrophobicContact CB-CB 4.27Å; R60-A115 CarbonylContact O-C 3.38Å; R60-A115 WeakPolarHBondContact O-CA 3.24Å; E111-A115 CarbonylContact C-O 3.49Å; E111-A115 VanDerWaalsContact CA-O 3.29Å; E111-A115 WeakPolarHBondContact CA-O 3.22Å; V112-A115 PolarHBondContact N-O 3.45Å; V112-A115 WeakPolarHBondContact O-CB 3.19Å; V112-A115 PolarHBondContact O-N 3.34Å; Q113-A115 VanDerWaalsContact C-N 3.27Å; Q113-A115 PolarHBondContact O-N 2.85Å; A115-V117 HydrophobicContact CB-CG2 4.29Å; A115-V117 PolarHBondContact O-N 2.79Å |
| 116 | R | 93.6 | Very high | 94.9 | Very high | 102 Ų | 102 | 52.1 Ų | 52.1 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 117.6 | 164.6 | -69.8 | -173.2 | 176.4 | 176.7 | 6.5 | 108.3 | R60 R61 K62 E111 | R60-R116 PolarHBondContact O-N 3.32Å; R61-R116 CarbonylContact C-O 3.18Å; R61-R116 WeakPolarHBondContact CA-O 3.16Å; K62-R116 PolarHBondContact N-O 2.65Å; E111-R116 HydrophobicContact CG-CG 4.38Å; E111-R116 IonicContact OE1-NE 2.67Å |
| 117 | V | 97 | Very high | 94.8 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.1 | -175.7 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | K62 V64 T110 V112 A115 L119 L234 | K62-V117 HydrophobicContact CB-CG2 4.44Å; K62-V117 WeakPolarHBondContact O-CA 3.32Å; V64-V117 HydrophobicContact CG2-CG1 4.02Å; T110-V117 HydrophobicContact CG2-CB 4.06Å; T110-V117 PolarHBondContact N-O 2.82Å; T110-V117 PolarHBondContact O-N 3.45Å; V112-V117 HydrophobicContact CB-CG2 3.98Å; V112-V117 HydrophobicContact CG2-CB 4.45Å; V112-V117 HydrophobicContact CG2-CG2 3.87Å; A115-V117 HydrophobicContact CB-CG2 4.29Å; A115-V117 PolarHBondContact O-N 2.79Å; V117-L119 HydrophobicContact CG1-CD2 3.77Å; V117-L234 HydrophobicContact CG1-CD1 4.3Å; V117-L234 HydrophobicContact CG1-CD2 4.33Å; V117-L234 HydrophobicContact CG2-CD1 4.28Å; V117-L234 HydrophobicContact CG2-CD2 3.99Å |
| 118 | V | 98.5 | Very high | 94.8 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 120.8 | 167.5 | -172.5 | 0 | 0 | 0 | 0 | 107.8 | K62 L63 V64 I108 L109 Y140 | K62-V118 PolarHBondContact O-N 2.86Å; L63-V118 CarbonylContact C-O 3.47Å; L63-V118 WeakPolarHBondContact CA-O 3.31Å; L63-V118 HydrophobicContact CD1-CB 3.7Å; L63-V118 HydrophobicContact CD1-CG1 3.67Å; V64-V118 PolarHBondContact N-O 3.29Å; I108-V118 WeakPolarHBondContact O-CA 3.1Å; L109-V118 HydrophobicContact CD2-CB 4.25Å; L109-V118 HydrophobicContact CD2-CG1 4.06Å; L109-V118 HydrophobicContact CD2-CG2 3.66Å; V118-Y140 HydrophobicContact CB-CD2 4.43Å; V118-Y140 HydrophobicContact CG1-CD2 3.83Å; V118-Y140 HydrophobicContact CG1-CE2 3.74Å; V118-Y140 HydrophobicContact CG1-CG 4.46Å; V118-Y140 HydrophobicContact CG2-CD1 4.16Å; V118-Y140 HydrophobicContact CG2-CD2 3.96Å; V118-Y140 HydrophobicContact CG2-CG 3.77Å |
| 119 | L | 98.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 132.6 | 165.6 | -51.3 | -176.9 | 0 | 0 | 0 | 108.1 | V64 L84 L87 A88 W97 V107 I108 V117 | V64-L119 HydrophobicContact CB-CD2 3.84Å; V64-L119 HydrophobicContact CG2-CD2 4.21Å; V64-L119 CarbonylContact O-C 3.44Å; V64-L119 WeakPolarHBondContact O-CA 3.49Å; L84-L119 HydrophobicContact CD2-CB 4.48Å; L87-L119 HydrophobicContact CD2-CD2 3.76Å; A88-L119 HydrophobicContact CB-CD1 3.94Å; W97-L119 HydrophobicContact CH2-CB 3.64Å; W97-L119 HydrophobicContact CZ2-CB 4.26Å; W97-L119 HydrophobicContact CZ3-CB 4.28Å; V107-L119 WeakPolarHBondContact CA-O 3.36Å; I108-L119 HydrophobicContact CB-CB 4.18Å; I108-L119 HydrophobicContact CB-CD1 4.35Å; I108-L119 HydrophobicContact CB-CG 4.4Å; I108-L119 HydrophobicContact CD1-CD1 4.32Å; I108-L119 PolarHBondContact N-O 3.25Å; I108-L119 PolarHBondContact O-N 3.48Å; V117-L119 HydrophobicContact CG1-CD2 3.77Å |
| 120 | L | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 126.7 | -178.9 | 174.2 | 67.9 | 0 | 0 | 0 | 111.5 | L63 V64 V65 G66 L84 V103 V107 P122 V133 A136 | L63-L120 HydrophobicContact CD1-CB 3.78Å; L63-L120 HydrophobicContact CD1-CD2 4.32Å; V64-L120 PolarHBondContact O-N 3.46Å; V65-L120 WeakPolarHBondContact CA-O 3.32Å; V65-L120 HydrophobicContact CG1-CB 4.44Å; V65-L120 HydrophobicContact CG1-CD2 4.14Å; V65-L120 HydrophobicContact CG1-CG 4.3Å; V65-L120 HydrophobicContact CG2-CB 4.33Å; V65-L120 HydrophobicContact CG2-CD2 4.15Å; G66-L120 PolarHBondContact N-O 2.63Å; L84-L120 WeakPolarHBondContact CD2-O 3.29Å; V103-L120 HydrophobicContact CG2-CD1 4.07Å; V107-L120 HydrophobicContact CG1-CD1 3.75Å; L120-P122 HydrophobicContact CG-CG 4.42Å; L120-V133 HydrophobicContact CD2-CG2 4.17Å; L120-A136 HydrophobicContact CD2-CB 3.69Å |
| 121 | R | 98.6 | Very high | 94.9 | Very high | 48 Ų | 48 | 46.8 Ų | 46.8 | 18% | 0.181 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 108.2 | 162.6 | -69.7 | 176.7 | 178.4 | 162.1 | -3.8 | 109.2 | M81 L84 G85 W97 G105 E106 R123 | M81-R121 HydrophobicContact CB-CG 4.47Å; M81-R121 HydrophobicContact CE-CB 4.5Å; M81-R121 HydrophobicContact CG-CG 4.21Å; M81-R121 PolarHBondContact O-NE 2.76Å; M81-R121 PolarHBondContact O-NH2 3.48Å; L84-R121 HydrophobicContact CD2-CG 4.14Å; G85-R121 VanDerWaalsContact N-NH2 3.12Å; W97-R121 HydrophobicContact CH2-CB 4.47Å; W97-R121 HydrophobicContact CH2-CG 3.7Å; W97-R121 HydrophobicContact CZ2-CG 4.15Å; W97-R121 HydrophobicContact CZ3-CB 4.35Å; W97-R121 HydrophobicContact CZ3-CG 4.04Å; G105-R121 CarbonylContact C-O 3.6Å; G105-R121 VanDerWaalsContact CA-O 3.24Å; G105-R121 WeakPolarHBondContact CA-O 3.27Å; E106-R121 HydrophobicContact CB-CB 4.41Å; E106-R121 PolarHBondContact N-O 3.42Å; E106-R121 PolarHBondContact O-N 2.84Å; R121-R123 PolarHBondContact O-N 3.49Å |
| 122 | P | 98.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 132 | 176.3 | -27.8 | 38.3 | 0 | 0 | 0 | 111.7 | V65 G66 M81 L120 L124 N129 | V65-P122 HydrophobicContact CG1-CG 3.97Å; G66-P122 WeakPolarHBondContact O-CD 3.49Å; M81-P122 WeakPolarHBondContact CE-O 3.45Å; L120-P122 HydrophobicContact CG-CG 4.42Å; P122-L124 PolarHBondContact O-N 2.9Å; P122-N129 HydrophobicContact CB-CB 4.25Å; P122-N129 HydrophobicContact CG-CB 4.23Å |
| 123 | R | 97.3 | Very high | 95.7 | Very high | 148 Ų | 148 | 40.3 Ų | 40.3 | 56% | 0.558 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -94.3 | 37 | 172.9 | -71.8 | -174.2 | 70.1 | 169.9 | 2.7 | 111.6 | P70 S104 E106 R121 | P70-R123 VanDerWaalsContact CG-C 3.43Å; P70-R123 HydrophobicContact CG-CB 4.45Å; S104-R123 WeakPolarHBondContact O-CA 3.17Å; S104-R123 PolarHBondContact O-N 3.38Å; E106-R123 HydrophobicContact CG-CG 3.92Å; R121-R123 PolarHBondContact O-N 3.49Å |
| 124 | L | 95.9 | Very high | 96.6 | Very high | 39 Ų | 39 | 33.8 Ų | 33.8 | 20% | 0.204 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -129.3 | 160.9 | -178.8 | -61.7 | 176.8 | 0 | 0 | 0 | 110.3 | P70 P122 V128 N129 V131 | P70-L124 VanDerWaalsContact CD-O 3.22Å; P70-L124 WeakPolarHBondContact CD-O 3.31Å; P122-L124 PolarHBondContact O-N 2.9Å; L124-V128 HydrophobicContact CB-CG2 3.96Å; L124-N129 PolarHBondContact O-ND2 3.42Å; L124-V131 HydrophobicContact CD1-CB 4.1Å; L124-V131 HydrophobicContact CD1-CG1 4.3Å |
| 125 | L | 97.7 | Very high | 97.4 | Very high | 111 Ų | 111 | 28.1 Ų | 28.1 | 58% | 0.581 | 13% | 0.125 | S | C | * | . | trans | -59.6 | 151.2 | 173.3 | -63.1 | 178.4 | 0 | 0 | 0 | 111.3 | N127 V128 N129 | L125-N127 VanDerWaalsContact C-N 3.29Å; L125-N127 WeakPolarHBondContact CB-OD1 3.38Å; L125-N127 PolarHBondContact O-N 3.43Å; L125-N127 VanDerWaalsContact O-N 3.17Å; L125-V128 HydrophobicContact CB-CG2 4.1Å; L125-V128 CarbonylContact O-C 3.54Å; L125-V128 WeakPolarHBondContact O-CG2 3.25Å; L125-V128 PolarHBondContact O-N 2.79Å; L125-N129 PolarHBondContact O-N 2.75Å; L125-N129 VanDerWaalsContact O-N 3.12Å; L125-N129 PolarHBondContact O-ND2 2.92Å | ||
| 126 | M | 97.9 | Very high | 97.9 | Very high | 6 Ų | 6 | 28 Ų | 28 | 3% | 0.03 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -52.1 | -44.5 | -173.2 | 179.5 | 63.6 | 77.5 | 0 | 0 | 113 | L67 G68 N69 H77 V128 N129 H172 N173 G174 | L67-M126 HydrophobicContact CB-CE 4.24Å; L67-M126 HydrophobicContact CB-SD 4.07Å; G68-M126 VanDerWaalsContact CA-CE 3.41Å; N69-M126 WeakPolarHBondContact OD1-CB 3.38Å; N69-M126 PolarHBondContact OD1-N 2.88Å; H77-M126 HydrophobicContact CB-CE 4.41Å; H77-M126 WeakPolarHBondContact NE2-CG 3.47Å; H77-M126 WeakPolarHBondContact O-CE 3.47Å; M126-V128 PolarHBondContact O-N 3.28Å; M126-V128 VanDerWaalsContact O-N 3.1Å; M126-N129 WeakPolarHBondContact CA-ND2 3.22Å; M126-N129 WeakPolarHBondContact O-CB 3.3Å; M126-N129 PolarHBondContact O-N 2.81Å; M126-H172 VanDerWaalsContact SD-CE1 3.58Å; M126-N173 HydrophobicContact CG-CB 4.39Å; M126-G174 WeakPolarHBondContact O-CA 3.36Å; M126-G174 WeakPolarHBondContact SD-CA 3.43Å |
| 127 | N | 97.6 | Very high | 98.2 | Very high | 55 Ų | 55 | 23.6 Ų | 23.6 | 29% | 0.294 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | -67.5 | -9.3 | -178 | 64.1 | -54.3 | 0 | 0 | 0 | 114.4 | L125 N173 S177 | L125-N127 VanDerWaalsContact C-N 3.29Å; L125-N127 WeakPolarHBondContact CB-OD1 3.38Å; L125-N127 PolarHBondContact O-N 3.43Å; L125-N127 VanDerWaalsContact O-N 3.17Å; N127-N173 HydrophobicContact CB-CB 4.27Å; N127-S177 VanDerWaalsContact O-CB 3.26Å; N127-S177 WeakPolarHBondContact O-CB 3.16Å; N127-S177 PolarHBondContact O-OG 3.21Å |
| 128 | V | 97.6 | Very high | 98.2 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 10% | 0.097 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -125.7 | 11.8 | 178 | -66.9 | 0 | 0 | 0 | 0 | 112.6 | I35 L124 L125 M126 G130 V131 S177 | I35-V128 HydrophobicContact CG2-CG1 4Å; L124-V128 HydrophobicContact CB-CG2 3.96Å; L125-V128 HydrophobicContact CB-CG2 4.1Å; L125-V128 CarbonylContact O-C 3.54Å; L125-V128 WeakPolarHBondContact O-CG2 3.25Å; L125-V128 PolarHBondContact O-N 2.79Å; M126-V128 PolarHBondContact O-N 3.28Å; M126-V128 VanDerWaalsContact O-N 3.1Å; V128-G130 PolarHBondContact O-N 3.48Å; V128-G130 VanDerWaalsContact O-N 3.13Å; V128-V131 WeakPolarHBondContact O-CB 3.41Å; V128-V131 PolarHBondContact O-N 3.02Å; V128-V131 VanDerWaalsContact O-N 3.1Å; V128-S177 VanDerWaalsContact CA-OG 3.26Å; V128-S177 WeakPolarHBondContact CA-OG 3.47Å |
| 129 | N | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -53.4 | -32.9 | 174.4 | -92.9 | -146 | 0 | 0 | 0 | 112.2 | L67 G68 P122 L124 L125 M126 V131 S132 V133 | L67-N129 HydrophobicContact CD2-CB 4.09Å; G68-N129 PolarHBondContact N-OD1 3.45Å; G68-N129 PolarHBondContact O-ND2 3.27Å; G68-N129 PolarHBondContact O-OD1 2.82Å; P122-N129 HydrophobicContact CB-CB 4.25Å; P122-N129 HydrophobicContact CG-CB 4.23Å; L124-N129 PolarHBondContact O-ND2 3.42Å; L125-N129 PolarHBondContact O-N 2.75Å; L125-N129 VanDerWaalsContact O-N 3.12Å; L125-N129 PolarHBondContact O-ND2 2.92Å; M126-N129 WeakPolarHBondContact CA-ND2 3.22Å; M126-N129 WeakPolarHBondContact O-CB 3.3Å; M126-N129 PolarHBondContact O-N 2.81Å; N129-V131 PolarHBondContact O-N 3.26Å; N129-S132 WeakPolarHBondContact O-CB 3.48Å; N129-S132 PolarHBondContact O-N 2.81Å; N129-V133 WeakPolarHBondContact O-CG2 3.2Å; N129-V133 PolarHBondContact O-N 3.46Å; N129-V133 VanDerWaalsContact O-N 3.12Å |
| 130 | G | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.5 | -27.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V128 V133 A134 S177 C181 | V128-G130 PolarHBondContact O-N 3.48Å; V128-G130 VanDerWaalsContact O-N 3.13Å; G130-V133 PolarHBondContact O-N 3.46Å; G130-A134 VanDerWaalsContact O-CB 3.28Å; G130-A134 WeakPolarHBondContact O-CB 3.28Å; G130-A134 PolarHBondContact O-N 3.17Å; G130-S177 WeakPolarHBondContact CA-OG 3.31Å; G130-S177 PolarHBondContact N-OG 3.38Å; G130-C181 VanDerWaalsContact O-CB 3.32Å; G130-C181 WeakPolarHBondContact O-CB 3.32Å |
| 131 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -47.1 | 174.4 | 173.9 | 0 | 0 | 0 | 0 | 110.2 | N36 L39 L40 L124 V128 N129 A134 R135 | N36-V131 WeakPolarHBondContact OD1-CG2 3.25Å; L39-V131 HydrophobicContact CB-CG1 3.77Å; L39-V131 HydrophobicContact CB-CG2 4.26Å; L39-V131 HydrophobicContact CD1-CG1 4.15Å; L39-V131 HydrophobicContact CD1-CG2 4.03Å; L40-V131 HydrophobicContact CD2-CG1 4.04Å; L40-V131 HydrophobicContact CG-CG1 4.47Å; L124-V131 HydrophobicContact CD1-CB 4.1Å; L124-V131 HydrophobicContact CD1-CG1 4.3Å; V128-V131 WeakPolarHBondContact O-CB 3.41Å; V128-V131 PolarHBondContact O-N 3.02Å; V128-V131 VanDerWaalsContact O-N 3.1Å; N129-V131 PolarHBondContact O-N 3.26Å; V131-A134 PolarHBondContact O-N 3.47Å; V131-R135 WeakPolarHBondContact O-CG 3.46Å; V131-R135 PolarHBondContact O-N 2.98Å |
| 132 | S | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -44 | 178.2 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | V103 S104 N129 R135 A136 | V103-S132 WeakPolarHBondContact O-CA 3.21Å; V103-S132 WeakPolarHBondContact O-CB 3.26Å; V103-S132 PolarHBondContact O-OG 3.42Å; S104-S132 PolarHBondContact O-OG 3.13Å; N129-S132 WeakPolarHBondContact O-CB 3.48Å; N129-S132 PolarHBondContact O-N 2.81Å; S132-R135 PolarHBondContact O-N 3.36Å; S132-A136 WeakPolarHBondContact O-CB 3.26Å; S132-A136 PolarHBondContact O-N 3.37Å |
| 133 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.8 | -46.6 | 177.7 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | L63 V65 L120 N129 G130 A136 A137 I147 L149 L182 | L63-V133 HydrophobicContact CD2-CG1 4.35Å; V65-V133 HydrophobicContact CB-CG2 4.38Å; V65-V133 HydrophobicContact CG1-CG2 3.64Å; V65-V133 HydrophobicContact CG2-CG1 4.22Å; V65-V133 HydrophobicContact CG2-CG2 4.06Å; L120-V133 HydrophobicContact CD2-CG2 4.17Å; N129-V133 WeakPolarHBondContact O-CG2 3.2Å; N129-V133 PolarHBondContact O-N 3.46Å; N129-V133 VanDerWaalsContact O-N 3.12Å; G130-V133 PolarHBondContact O-N 3.46Å; V133-A136 PolarHBondContact O-N 2.85Å; V133-A137 WeakPolarHBondContact O-CB 3.5Å; V133-A137 PolarHBondContact O-N 3.33Å; V133-I147 HydrophobicContact CG1-CD1 4.26Å; V133-I147 HydrophobicContact CG1-CG2 4.06Å; V133-L149 HydrophobicContact CG1-CD2 4.41Å; V133-L182 HydrophobicContact CG1-CD1 4.06Å |
| 134 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | L40 F44 G130 V131 A137 G138 C181 L182 | L40-A134 HydrophobicContact CD2-CB 4.11Å; F44-A134 HydrophobicContact CE2-CB 3.85Å; F44-A134 HydrophobicContact CZ-CB 3.93Å; G130-A134 VanDerWaalsContact O-CB 3.28Å; G130-A134 WeakPolarHBondContact O-CB 3.28Å; G130-A134 PolarHBondContact O-N 3.17Å; V131-A134 PolarHBondContact O-N 3.47Å; A134-A137 PolarHBondContact O-N 2.69Å; A134-G138 PolarHBondContact O-N 3.42Å; A134-C181 HydrophobicContact CB-CB 3.87Å; A134-L182 HydrophobicContact CB-CD2 4.07Å |
| 135 | R | 98.6 | Very high | 97.6 | Very high | 52 Ų | 52 | 34 Ų | 34 | 20% | 0.196 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64 | -40.6 | 175.5 | -69.3 | -174.5 | -170.9 | 158.7 | -8.6 | 112.3 | L39 L40 H102 S104 V131 S132 G138 K139 | L39-R135 PolarHBondContact O-NE 2.8Å; L39-R135 PolarHBondContact O-NH2 3.04Å; L40-R135 HydrophobicContact CD2-CG 4.15Å; H102-R135 WeakPolarHBondContact O-CD 2.99Å; S104-R135 PolarHBondContact OG-NH1 2.83Å; V131-R135 WeakPolarHBondContact O-CG 3.46Å; V131-R135 PolarHBondContact O-N 2.98Å; S132-R135 PolarHBondContact O-N 3.36Å; R135-G138 PolarHBondContact O-N 3.01Å; R135-K139 VanDerWaalsContact O-CB 3.28Å; R135-K139 WeakPolarHBondContact O-CB 3.36Å; R135-K139 PolarHBondContact O-N 2.84Å |
| 136 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.1 | -44.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L63 V103 L120 S132 V133 G138 K139 Y140 | L63-A136 HydrophobicContact CD1-CB 4.36Å; L63-A136 HydrophobicContact CD2-CB 4.03Å; V103-A136 HydrophobicContact CB-CB 4.18Å; V103-A136 HydrophobicContact CG1-CB 4Å; L120-A136 HydrophobicContact CD2-CB 3.69Å; S132-A136 WeakPolarHBondContact O-CB 3.26Å; S132-A136 PolarHBondContact O-N 3.37Å; V133-A136 PolarHBondContact O-N 2.85Å; A136-G138 VanDerWaalsContact C-N 3.33Å; A136-G138 PolarHBondContact O-N 3Å; A136-K139 PolarHBondContact O-N 2.94Å; A136-Y140 HydrophobicContact CB-CD2 4.2Å; A136-Y140 HydrophobicContact CB-CE2 4.35Å; A136-Y140 WeakPolarHBondContact O-CB 3.34Å; A136-Y140 WeakPolarHBondContact O-CD2 3.21Å; A136-Y140 PolarHBondContact O-N 2.79Å |
| 137 | A | 98.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.2 | -46.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L63 V133 A134 G141 V142 I147 L182 | L63-A137 HydrophobicContact CD2-CB 4.49Å; V133-A137 WeakPolarHBondContact O-CB 3.5Å; V133-A137 PolarHBondContact O-N 3.33Å; A134-A137 PolarHBondContact O-N 2.69Å; A137-G141 WeakPolarHBondContact O-CA 3.48Å; A137-G141 PolarHBondContact O-N 2.69Å; A137-V142 PolarHBondContact O-N 3.37Å; A137-I147 HydrophobicContact CB-CD1 3.77Å; A137-L182 HydrophobicContact CB-CD2 4.23Å |
| 138 | G | 97.2 | Very high | 97.6 | Very high | 24 Ų | 24 | 28.1 Ų | 28.1 | 25% | 0.247 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.3 | -48.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | A134 R135 A136 Y140 G141 | A134-G138 PolarHBondContact O-N 3.42Å; R135-G138 PolarHBondContact O-N 3.01Å; A136-G138 VanDerWaalsContact C-N 3.33Å; A136-G138 PolarHBondContact O-N 3Å; G138-Y140 PolarHBondContact O-N 3.13Å; G138-G141 PolarHBondContact O-N 3.1Å |
| 139 | K | 97.6 | Very high | 97.6 | Very high | 97 Ų | 97 | 27.4 Ų | 27.4 | 42% | 0.422 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.6 | -41.4 | -178.7 | 179.3 | 176.5 | 178.8 | 176 | 0 | 113 | D100 V103 R135 A136 | D100-K139 IonicContact OD1-NZ 2.93Å; D100-K139 IonicContact OD2-NZ 3.44Å; D100-K139 PolarHBondContact OD2-NZ 3.1Å; V103-K139 HydrophobicContact CG1-CB 4.39Å; V103-K139 HydrophobicContact CG1-CD 3.81Å; R135-K139 VanDerWaalsContact O-CB 3.28Å; R135-K139 WeakPolarHBondContact O-CB 3.36Å; R135-K139 PolarHBondContact O-N 2.84Å; A136-K139 PolarHBondContact O-N 2.94Å |
| 140 | Y | 96.2 | Very high | 97.6 | Very high | 34 Ų | 34 | 27.4 Ų | 27.4 | 13% | 0.133 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -97.8 | 1.4 | -175.3 | -60.4 | -65.9 | 0 | 0 | 0 | 113.2 | R61 D100 V103 L109 V118 A136 G138 | R61-Y140 WeakPolarHBondContact CD-O 3.43Å; R61-Y140 PolarHBondContact NH1-O 3.19Å; D100-Y140 PolarHBondContact OD2-OH 2.81Å; V103-Y140 HydrophobicContact CG1-CE2 4.22Å; L109-Y140 HydrophobicContact CD1-CE1 4.22Å; L109-Y140 HydrophobicContact CD2-CD1 4.1Å; L109-Y140 HydrophobicContact CD2-CE1 3.64Å; L109-Y140 HydrophobicContact CG-CE1 4.47Å; V118-Y140 HydrophobicContact CB-CD2 4.43Å; V118-Y140 HydrophobicContact CG1-CD2 3.83Å; V118-Y140 HydrophobicContact CG1-CE2 3.74Å; V118-Y140 HydrophobicContact CG1-CG 4.46Å; V118-Y140 HydrophobicContact CG2-CD1 4.16Å; V118-Y140 HydrophobicContact CG2-CD2 3.96Å; V118-Y140 HydrophobicContact CG2-CG 3.77Å; A136-Y140 HydrophobicContact CB-CD2 4.2Å; A136-Y140 HydrophobicContact CB-CE2 4.35Å; A136-Y140 WeakPolarHBondContact O-CB 3.34Å; A136-Y140 WeakPolarHBondContact O-CD2 3.21Å; A136-Y140 PolarHBondContact O-N 2.79Å; G138-Y140 PolarHBondContact O-N 3.13Å |
| 141 | G | 95.3 | Very high | 97.7 | Very high | 42 Ų | 42 | 27.8 Ų | 27.8 | 43% | 0.433 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 46.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A137 G138 | A137-G141 WeakPolarHBondContact O-CA 3.48Å; A137-G141 PolarHBondContact O-N 2.69Å; G138-G141 PolarHBondContact O-N 3.1Å |
| 142 | V | 96.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 28 Ų | 28 | 6% | 0.061 | 15% | 0.148 | C | C | . | . | trans | -104.9 | 126.6 | -179.9 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | R61 L63 A137 D146 I147 | R61-V142 HydrophobicContact CB-CG2 4.04Å; L63-V142 HydrophobicContact CB-CB 4.27Å; L63-V142 HydrophobicContact CB-CG1 3.82Å; L63-V142 HydrophobicContact CB-CG2 4.26Å; A137-V142 PolarHBondContact O-N 3.37Å; V142-D146 HydrophobicContact CG1-CB 3.65Å; V142-I147 HydrophobicContact CG1-CG1 4Å | ||
| 143 | K | 95.9 | Very high | 97.6 | Very high | 130 Ų | 130 | 28.7 Ų | 28.7 | 57% | 0.565 | 15% | 0.151 | S | C | * | . | trans | -76.7 | 152.6 | 177.6 | -61.5 | -177.6 | -177.9 | 175.2 | 0 | 111.2 | E145 D146 I147 | K143-E145 VanDerWaalsContact C-N 3.28Å; K143-E145 VanDerWaalsContact CB-CD 3.48Å; K143-E145 HydrophobicContact CB-CG 4.1Å; K143-E145 VanDerWaalsContact CD-OE1 3.26Å; K143-E145 WeakPolarHBondContact CD-OE1 3.48Å; K143-E145 PolarHBondContact O-N 3.45Å; K143-D146 WeakPolarHBondContact O-CA 3.18Å; K143-D146 WeakPolarHBondContact O-CB 3.19Å; K143-D146 PolarHBondContact O-N 3.1Å; K143-I147 WeakPolarHBondContact O-CG1 3.36Å; K143-I147 PolarHBondContact O-N 3.23Å | ||
| 144 | P | 96.8 | Very high | 97.6 | Very high | 29 Ų | 29 | 30.2 Ų | 30.2 | 19% | 0.188 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -54.1 | -37.1 | -179.2 | -29.2 | 37.6 | 0 | 0 | 0 | 115.5 | D146 I147 T184 V186 M187 | P144-D146 PolarHBondContact O-N 3.12Å; P144-I147 WeakPolarHBondContact O-CB 3.32Å; P144-I147 PolarHBondContact O-N 3.12Å; P144-I147 VanDerWaalsContact O-N 3.1Å; P144-T184 HydrophobicContact CB-CG2 3.46Å; P144-T184 VanDerWaalsContact CB-CG2 3.46Å; P144-T184 HydrophobicContact CG-CG2 3.68Å; P144-V186 HydrophobicContact CB-CG2 3.69Å; P144-M187 HydrophobicContact CB-CG 4.45Å; P144-M187 HydrophobicContact CB-SD 4.03Å; P144-M187 WeakPolarHBondContact O-CG 3.43Å |
| 145 | E | 95.7 | Very high | 97.5 | Very high | 100 Ų | 100 | 33.4 Ų | 33.4 | 47% | 0.467 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -61.9 | -22.7 | 174.8 | 55.4 | -92.5 | -145.8 | 0 | 0 | 113.7 | K143 | K143-E145 VanDerWaalsContact C-N 3.28Å; K143-E145 VanDerWaalsContact CB-CD 3.48Å; K143-E145 HydrophobicContact CB-CG 4.1Å; K143-E145 VanDerWaalsContact CD-OE1 3.26Å; K143-E145 WeakPolarHBondContact CD-OE1 3.48Å; K143-E145 PolarHBondContact O-N 3.45Å |
| 146 | D | 96.5 | Very high | 97.4 | Very high | 37 Ų | 37 | 33.6 Ų | 33.6 | 20% | 0.198 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -95.9 | 4.3 | 178.1 | -66.3 | -47.6 | 0 | 0 | 0 | 113.3 | R61 K62 L63 V142 K143 P144 | R61-D146 WeakPolarHBondContact O-CB 3.43Å; K62-D146 WeakPolarHBondContact CA-O 3.33Å; K62-D146 HydrophobicContact CD-CB 3.97Å; K62-D146 IonicContact NZ-OD1 3.57Å; K62-D146 PolarHBondContact NZ-OD1 3.05Å; L63-D146 PolarHBondContact N-O 2.66Å; V142-D146 HydrophobicContact CG1-CB 3.65Å; K143-D146 WeakPolarHBondContact O-CA 3.18Å; K143-D146 WeakPolarHBondContact O-CB 3.19Å; K143-D146 PolarHBondContact O-N 3.1Å; P144-D146 PolarHBondContact O-N 3.12Å |
| 147 | I | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 113.5 | 176.5 | -53.1 | 177.3 | 0 | 0 | 0 | 109.9 | L63 V65 V133 A137 V142 K143 P144 L149 L182 M187 P188 | L63-I147 HydrophobicContact CB-CG1 4.21Å; L63-I147 HydrophobicContact CB-CG2 4.44Å; L63-I147 HydrophobicContact CD2-CD1 4.21Å; L63-I147 HydrophobicContact CD2-CG1 4.12Å; L63-I147 HydrophobicContact CD2-CG2 4.11Å; L63-I147 HydrophobicContact CG-CG2 4.25Å; L63-I147 CarbonylContact O-C 3.49Å; L63-I147 VanDerWaalsContact O-CA 3.32Å; L63-I147 WeakPolarHBondContact O-CA 3.47Å; V65-I147 HydrophobicContact CG2-CG2 3.96Å; V133-I147 HydrophobicContact CG1-CD1 4.26Å; V133-I147 HydrophobicContact CG1-CG2 4.06Å; A137-I147 HydrophobicContact CB-CD1 3.77Å; V142-I147 HydrophobicContact CG1-CG1 4Å; K143-I147 WeakPolarHBondContact O-CG1 3.36Å; K143-I147 PolarHBondContact O-N 3.23Å; P144-I147 WeakPolarHBondContact O-CB 3.32Å; P144-I147 PolarHBondContact O-N 3.12Å; P144-I147 VanDerWaalsContact O-N 3.1Å; I147-L149 HydrophobicContact CG2-CD2 3.75Å; I147-L149 HydrophobicContact CG2-CG 4.46Å; I147-L182 HydrophobicContact CD1-CD1 3.83Å; I147-L182 HydrophobicContact CD1-CD2 4.22Å; I147-M187 HydrophobicContact CB-CG 3.95Å; I147-M187 HydrophobicContact CG2-CG 4.3Å; I147-M187 WeakPolarHBondContact O-CB 3.42Å; I147-P188 WeakPolarHBondContact O-CD 3.47Å |
| 148 | L | 98.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 110.4 | 175.8 | -177 | 55.3 | 0 | 0 | 0 | 110.4 | L63 V64 V65 P188 L230 Q233 | L63-L148 PolarHBondContact O-N 3.38Å; V64-L148 CarbonylContact C-O 3.58Å; V64-L148 WeakPolarHBondContact CA-O 3.47Å; V64-L148 HydrophobicContact CG2-CB 4.49Å; V65-L148 PolarHBondContact N-O 3.37Å; L148-P188 WeakPolarHBondContact CA-O 3.22Å; L148-P188 HydrophobicContact CD1-CB 3.93Å; L148-P188 HydrophobicContact CD1-CG 4.16Å; L148-L230 HydrophobicContact CD2-CD2 3.32Å; L148-L230 HydrophobicContact CG-CD2 3.97Å; L148-Q233 HydrophobicContact CD2-CB 4.22Å |
| 149 | L | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 137.4 | 177.1 | -50.6 | 176.7 | 0 | 0 | 0 | 110.8 | V65 V133 I147 C178 M187 P188 R189 L190 | V65-L149 HydrophobicContact CB-CD2 3.79Å; V65-L149 HydrophobicContact CG1-CD2 4.41Å; V65-L149 HydrophobicContact CG2-CD2 3.88Å; V133-L149 HydrophobicContact CG1-CD2 4.41Å; I147-L149 HydrophobicContact CG2-CD2 3.75Å; I147-L149 HydrophobicContact CG2-CG 4.46Å; L149-C178 HydrophobicContact CD1-CB 3.99Å; L149-M187 HydrophobicContact CD1-CB 4.17Å; L149-M187 HydrophobicContact CD1-CE 4.36Å; L149-M187 HydrophobicContact CG-CB 4.22Å; L149-P188 PolarHBondContact N-O 2.79Å; L149-R189 HydrophobicContact CB-CG 4.11Å; L149-R189 HydrophobicContact CD1-CG 4.5Å; L149-R189 CarbonylContact O-C 3.57Å; L149-R189 VanDerWaalsContact O-CA 3.23Å; L149-R189 WeakPolarHBondContact O-CA 3.48Å; L149-L190 PolarHBondContact O-N 2.95Å |
| 150 | V | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 124.6 | 173.5 | -167.4 | 0 | 0 | 0 | 0 | 109 | V64 V65 L67 G80 V83 L84 L190 V192 L230 | V64-V150 HydrophobicContact CG1-CG2 4.21Å; V65-V150 PolarHBondContact O-N 3.43Å; L67-V150 PolarHBondContact N-O 2.86Å; G80-V150 WeakPolarHBondContact CA-O 3.39Å; V83-V150 HydrophobicContact CB-CG1 3.86Å; V83-V150 HydrophobicContact CG1-CG1 3.86Å; V83-V150 HydrophobicContact CG2-CG1 4.11Å; L84-V150 HydrophobicContact CD1-CB 4.18Å; L84-V150 HydrophobicContact CD1-CG2 3.74Å; V150-L190 WeakPolarHBondContact CA-O 3.01Å; V150-L190 HydrophobicContact CG1-CB 4.21Å; V150-L190 HydrophobicContact CG1-CD2 4.01Å; V150-L190 HydrophobicContact CG1-CG 4.21Å; V150-L190 HydrophobicContact CG2-CB 4.25Å; V150-V192 HydrophobicContact CG1-CG2 4.24Å; V150-L230 HydrophobicContact CG2-CD1 4.15Å; V150-L230 HydrophobicContact CG2-CD2 4.11Å |
| 151 | H | 98.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 3% | 0.032 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 165.8 | -174.2 | 74 | 81.8 | 0 | 0 | 0 | 113.3 | L67 H172 V175 L190 V192 | L67-H151 HydrophobicContact CB-CB 4.22Å; L67-H151 HydrophobicContact CD1-CB 3.94Å; L67-H151 HydrophobicContact CG-CB 4.34Å; H151-H172 AromaticContact ND1-CD2 3.6Å; H151-H172 AromaticContact ND1-NE2 3.97Å; H151-V175 HydrophobicContact CB-CG2 4.47Å; H151-V175 VanDerWaalsContact CD2-CG2 3.47Å; H151-V175 WeakPolarHBondContact CD2-CG2 3.36Å; H151-L190 PolarHBondContact N-O 3.22Å; H151-L190 VanDerWaalsContact N-O 3.13Å; H151-V192 PolarHBondContact O-N 3.33Å |
| 152 | D | 98.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 148.6 | 175.1 | 58.8 | -68.9 | 0 | 0 | 0 | 113.5 | R76 H77 V79 H172 V192 I194 | R76-D152 WeakPolarHBondContact O-CB 3.15Å; H77-D152 IonicContact CE1-OD1 2.66Å; H77-D152 IonicContact CE1-OD2 3.44Å; H77-D152 IonicContact CG-OD1 3.78Å; H77-D152 IonicContact ND1-OD1 2.78Å; H77-D152 PolarHBondContact ND1-OD1 3.01Å; H77-D152 IonicContact ND1-OD2 3.62Å; H77-D152 PolarHBondContact ND1-OD2 3.43Å; V79-D152 HydrophobicContact CG1-CB 3.76Å; D152-H172 PolarHBondContact O-CD2 2.88Å; D152-H172 IonicContact OD1-CD2 2.64Å; D152-H172 IonicContact OD1-NE2 3.34Å; D152-H172 PolarHBondContact OD1-NE2 3.06Å; D152-V192 CarbonylContact C-O 3.59Å; D152-V192 WeakPolarHBondContact CA-O 3.39Å; D152-I194 HydrophobicContact CB-CD1 3.74Å; D152-I194 HydrophobicContact CB-CG1 3.99Å; D152-I194 HydrophobicContact CB-CG2 3.73Å; D152-I194 WeakPolarHBondContact OD2-CD1 3.41Å |
| 153 | E | 98.1 | Very high | 97.5 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 114.2 | -179.5 | 174.7 | 65.4 | -83.4 | 0 | 0 | 110.2 | D155 K156 R191 V192 G193 I194 | E153-D155 VanDerWaalsContact C-N 3.33Å; E153-D155 PolarHBondContact OE1-N 3.23Å; E153-K156 HydrophobicContact CG-CB 3.98Å; E153-K156 HydrophobicContact CG-CD 3.99Å; E153-K156 HydrophobicContact CG-CG 3.82Å; E153-R191 HydrophobicContact CB-CB 3.96Å; E153-R191 HydrophobicContact CG-CB 4.32Å; E153-R191 WeakPolarHBondContact OE2-CD 3.47Å; E153-R191 IonicContact OE2-CZ 2.72Å; E153-R191 IonicContact OE2-NE 3.83Å; E153-R191 IonicContact OE2-NH1 3.63Å; E153-R191 PolarHBondContact OE2-NH1 3.19Å; E153-V192 PolarHBondContact N-O 2.96Å; E153-G193 WeakPolarHBondContact O-CA 3.37Å; E153-I194 PolarHBondContact O-N 3.17Å |
| 154 | L | 97.8 | Very high | 97.5 | Very high | 33 Ų | 33 | 38.2 Ų | 38.2 | 17% | 0.173 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -32.4 | -179.2 | -70.9 | 165.3 | 0 | 0 | 0 | 111.9 | K156 I194 G195 R196 V203 V207 | L154-K156 PolarHBondContact O-N 3.3Å; L154-I194 HydrophobicContact CD2-CD1 3.71Å; L154-I194 HydrophobicContact CD2-CG1 4.13Å; L154-I194 HydrophobicContact CG-CD1 4.31Å; L154-G195 WeakPolarHBondContact CD2-O 3.48Å; L154-G195 CarbonylContact O-C 3.51Å; L154-G195 WeakPolarHBondContact O-CA 3.32Å; L154-R196 HydrophobicContact CB-CG 4.11Å; L154-R196 WeakPolarHBondContact O-CG 3.49Å; L154-R196 PolarHBondContact O-N 2.8Å; L154-V203 HydrophobicContact CD1-CG1 3.42Å; L154-V203 VanDerWaalsContact CD1-CG1 3.42Å; L154-V203 HydrophobicContact CD2-CG1 4.23Å; L154-V203 HydrophobicContact CG-CG1 4.48Å; L154-V207 HydrophobicContact CD2-CG1 3.98Å |
| 155 | D | 95.8 | Very high | 97.4 | Very high | 67 Ų | 67 | 42.6 Ų | 42.6 | 36% | 0.358 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 7.1 | -174.3 | -64.2 | -34.9 | 0 | 0 | 0 | 113.3 | E153 R170 R196 | E153-D155 VanDerWaalsContact C-N 3.33Å; E153-D155 PolarHBondContact OE1-N 3.23Å; D155-R170 IonicContact OD2-CZ 3.32Å; D155-R170 IonicContact OD2-NE 2.85Å; D155-R170 PolarHBondContact OD2-NE 2.76Å; D155-R170 IonicContact OD2-NH2 3.2Å; D155-R170 PolarHBondContact OD2-NH2 2.89Å; D155-R196 IonicContact OD1-CZ 3.86Å; D155-R196 IonicContact OD1-NE 3.59Å; D155-R196 PolarHBondContact OD1-NE 2.79Å; D155-R196 IonicContact OD1-NH2 3.23Å; D155-R196 PolarHBondContact OD1-NH2 3.32Å; D155-R196 IonicContact OD2-NH2 2.79Å |
| 156 | K | 96.8 | Very high | 97.2 | Very high | 56 Ų | 56 | 38.3 Ų | 38.3 | 24% | 0.243 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -127.1 | 133.5 | 175.2 | -70.6 | -176.5 | -179.2 | -65.1 | 0 | 109.5 | E153 L154 K160 A162 G193 I194 G195 | E153-K156 HydrophobicContact CG-CB 3.98Å; E153-K156 HydrophobicContact CG-CD 3.99Å; E153-K156 HydrophobicContact CG-CG 3.82Å; L154-K156 PolarHBondContact O-N 3.3Å; K156-K160 HydrophobicContact CB-CB 4.27Å; K156-A162 HydrophobicContact CD-CB 4.38Å; K156-G193 CarbonylContact O-C 3.56Å; K156-G193 WeakPolarHBondContact O-CA 3.35Å; K156-I194 PolarHBondContact O-N 3.46Å; K156-I194 VanDerWaalsContact O-N 3.1Å; K156-G195 WeakPolarHBondContact O-CA 3.36Å; K156-G195 PolarHBondContact O-N 3.49Å |
| 157 | P | 97.4 | Very high | 97.1 | Very high | 82 Ų | 82 | 37.6 Ų | 37.6 | 53% | 0.532 | 20% | 0.204 | S | C | . | . | trans | -66.4 | 157.1 | 173.9 | 29.1 | -33.3 | 0 | 0 | 0 | 110.6 | K160 | P157-K160 HydrophobicContact CG-CB 4.44Å; P157-K160 HydrophobicContact CG-CG 3.77Å; P157-K160 WeakPolarHBondContact O-CB 3.08Å; P157-K160 PolarHBondContact O-N 2.97Å; P157-K160 VanDerWaalsContact O-N 3.1Å | ||
| 158 | L | 97.9 | Very high | 96.9 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 141.9 | 171.2 | -174 | 62.5 | 0 | 0 | 0 | 110.3 | K160 G193 F211 E215 V218 L219 V222 | L158-K160 VanDerWaalsContact C-N 3.35Å; L158-G193 VanDerWaalsContact CA-O 3.31Å; L158-G193 WeakPolarHBondContact CA-O 3.24Å; L158-G193 WeakPolarHBondContact CD1-O 3.29Å; L158-F211 HydrophobicContact CD1-CE1 4Å; L158-F211 HydrophobicContact CD2-CD1 4.22Å; L158-F211 HydrophobicContact CD2-CE1 4.26Å; L158-E215 HydrophobicContact CD2-CB 3.61Å; L158-E215 HydrophobicContact CD2-CG 3.85Å; L158-V218 HydrophobicContact CD2-CB 4.02Å; L158-V218 HydrophobicContact CD2-CG1 4.24Å; L158-V218 HydrophobicContact CG-CB 4.22Å; L158-V218 HydrophobicContact CG-CG1 3.89Å; L158-L219 HydrophobicContact CD1-CD1 4.43Å; L158-V222 HydrophobicContact CD1-CG2 4.3Å |
| 159 | G | 97.1 | Very high | 96.8 | Very high | 25 Ų | 25 | 41.6 Ų | 41.6 | 26% | 0.258 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -8.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V222 | G159-V222 VanDerWaalsContact CA-CG2 3.45Š|
| 160 | K | 98.2 | Very high | 96.5 | Very high | 130 Ų | 130 | 48.7 Ų | 48.7 | 57% | 0.565 | 26% | 0.261 | S | S | * | . | trans | -109.8 | 117.6 | 175.1 | -60.2 | -60.3 | -178 | -173.4 | 0 | 110.8 | K156 P157 L158 G193 | K156-K160 HydrophobicContact CB-CB 4.27Å; P157-K160 HydrophobicContact CG-CB 4.44Å; P157-K160 HydrophobicContact CG-CG 3.77Å; P157-K160 WeakPolarHBondContact O-CB 3.08Å; P157-K160 PolarHBondContact O-N 2.97Å; P157-K160 VanDerWaalsContact O-N 3.1Å; L158-K160 VanDerWaalsContact C-N 3.35Å; K160-G193 WeakPolarHBondContact O-CA 3.41Å; K160-G193 PolarHBondContact O-N 3.37Å | ||
| 161 | I | 98.3 | Very high | 96.2 | Very high | 34 Ų | 34 | 51 Ų | 51 | 17% | 0.174 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 152.1 | 173.7 | 65.2 | -178.1 | 0 | 0 | 0 | 110.6 | L190 R191 V192 V222 Q225 L229 | I161-L190 HydrophobicContact CB-CD1 4.26Å; I161-R191 VanDerWaalsContact CA-O 3.29Å; I161-R191 WeakPolarHBondContact CA-O 3.3Å; I161-V192 HydrophobicContact CG2-CG1 4.37Å; I161-V192 HydrophobicContact CG2-CG2 4.49Å; I161-V222 HydrophobicContact CG2-CG1 3.8Å; I161-Q225 HydrophobicContact CD1-CB 3.54Å; I161-L229 HydrophobicContact CD1-CD1 3.45Å; I161-L229 VanDerWaalsContact CD1-CD1 3.45Å; I161-L229 HydrophobicContact CD1-CG 4.3Å; I161-L229 HydrophobicContact CG1-CD1 3.77Å |
| 162 | A | 97.1 | Very high | 96.2 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 140 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K156 R191 | K156-A162 HydrophobicContact CD-CB 4.38Å; A162-R191 PolarHBondContact N-O 2.85Å; A162-R191 WeakPolarHBondContact O-CB 3.12Å; A162-R191 PolarHBondContact O-N 3.37Å |
| 163 | I | 97 | Very high | 96.2 | Very high | 45 Ų | 45 | 53.6 Ų | 53.6 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 142.1 | 164.4 | -59.6 | -62.9 | 0 | 0 | 0 | 109.6 | R189 L190 Q233 | I163-R189 CarbonylContact C-O 3.48Å; I163-R189 VanDerWaalsContact CA-O 3.29Å; I163-R189 WeakPolarHBondContact CA-O 3.33Å; I163-L190 HydrophobicContact CD1-CB 3.91Å; I163-L190 HydrophobicContact CD1-CD1 3.81Å; I163-L190 HydrophobicContact CD1-CG 4.43Å; I163-Q233 HydrophobicContact CD1-CG 4.13Å; I163-Q233 HydrophobicContact CG1-CG 4.33Å |
| 164 | K | 96.1 | Very high | 96.2 | Very high | 69 Ų | 69 | 53 Ų | 53 | 30% | 0.3 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 123.5 | 170.5 | 177.5 | 177.6 | 172.9 | 59.3 | 0 | 109.4 | G166 P188 R189 | K164-G166 VanDerWaalsContact CE-O 3.25Å; K164-G166 WeakPolarHBondContact CE-O 3.43Å; K164-P188 CarbonylContact O-C 3.59Å; K164-P188 WeakPolarHBondContact O-CA 3.41Å; K164-R189 PolarHBondContact N-O 2.59Å; K164-R189 PolarHBondContact O-N 2.99Å |
| 165 | H | 94.3 | Very high | 96.2 | Very high | 120 Ų | 120 | 51.5 Ų | 51.5 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | trans | -80.8 | 120.8 | 170.7 | -60.3 | -78.2 | 0 | 0 | 0 | 109.9 | ||||
| 166 | G | 91.9 | Very high | 96.4 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 46.2 | -176.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | K164 D185 R189 | K164-G166 VanDerWaalsContact CE-O 3.25Å; K164-G166 WeakPolarHBondContact CE-O 3.43Å; G166-D185 CarbonylContact C-O 3.29Å; G166-D185 VanDerWaalsContact C-O 3.29Å; G166-D185 WeakPolarHBondContact CA-O 3.42Å; G166-R189 PolarHBondContact O-NH2 3.26Å |
| 167 | G | 93.5 | Very high | 96.5 | Very high | 23 Ų | 23 | 50 Ų | 50 | 24% | 0.237 | 28% | 0.275 | C | S | . | . | trans | 104.5 | -173.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115.9 | D185 R189 | G167-D185 VanDerWaalsContact C-OD2 3.26Å; G167-D185 WeakPolarHBondContact CA-OD2 3.22Å; G167-D185 PolarHBondContact N-O 2.96Å; G167-R189 PolarHBondContact O-NH2 2.8Å | ||
| 168 | S | 94.7 | Very high | 96.5 | Very high | 79 Ų | 79 | 46.1 Ų | 46.1 | 55% | 0.552 | 25% | 0.25 | S | C | * | . | trans | -64.2 | 157.6 | -172.1 | 87 | 0 | 0 | 0 | 0 | 115.3 | R170 R189 | S168-R170 VanDerWaalsContact C-N 3.26Å; S168-R170 PolarHBondContact O-N 3.1Å; S168-R189 PolarHBondContact O-NH1 2.96Å; S168-R189 PolarHBondContact O-NH2 3.44Å | ||
| 169 | A | 94.9 | Very high | 96.6 | Very high | 15 Ų | 15 | 46 Ų | 46 | 12% | 0.124 | 25% | 0.25 | C | S | . | . | trans | -73 | -9.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | G171 H172 V175 R176 | A169-G171 PolarHBondContact O-N 3.42Å; A169-H172 WeakPolarHBondContact O-CB 3.31Å; A169-H172 PolarHBondContact O-N 3.5Å; A169-V175 HydrophobicContact CB-CB 4.03Å; A169-V175 HydrophobicContact CB-CG1 3.83Å; A169-R176 HydrophobicContact CB-CB 3.81Å | ||
| 170 | R | 93.2 | Very high | 96.6 | Very high | 151 Ų | 151 | 47.9 Ų | 47.9 | 57% | 0.57 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.7 | 31.7 | -178 | -62.8 | -175.8 | 66.9 | 140.4 | 1.9 | 115.6 | D155 S168 | D155-R170 IonicContact OD2-CZ 3.32Å; D155-R170 IonicContact OD2-NE 2.85Å; D155-R170 PolarHBondContact OD2-NE 2.76Å; D155-R170 IonicContact OD2-NH2 3.2Å; D155-R170 PolarHBondContact OD2-NH2 2.89Å; S168-R170 VanDerWaalsContact C-N 3.26Å; S168-R170 PolarHBondContact O-N 3.1Å |
| 171 | G | 93.3 | Very high | 96.6 | Very high | 47 Ų | 47 | 42 Ų | 42 | 49% | 0.485 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | -7.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A169 N173 | A169-G171 PolarHBondContact O-N 3.42Å; G171-N173 PolarHBondContact O-N 2.89Å |
| 172 | H | 98.2 | Very high | 96.6 | Very high | 18 Ų | 18 | 41.4 Ų | 41.4 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | trans | -73.2 | 118.7 | 175.3 | -171.1 | -64 | 0 | 0 | 0 | 111.2 | H77 M126 H151 D152 A169 G174 V175 R176 | H77-H172 AromaticContact CE1-CD2 3.94Å; H77-H172 AromaticContact CE1-CE1 3.88Å; H77-H172 AromaticContact CE1-NE2 3.52Å; H77-H172 AromaticContact ND1-NE2 3.8Å; M126-H172 VanDerWaalsContact SD-CE1 3.58Å; H151-H172 AromaticContact ND1-CD2 3.6Å; H151-H172 AromaticContact ND1-NE2 3.97Å; D152-H172 PolarHBondContact O-CD2 2.88Å; D152-H172 IonicContact OD1-CD2 2.64Å; D152-H172 IonicContact OD1-NE2 3.34Å; D152-H172 PolarHBondContact OD1-NE2 3.06Å; A169-H172 WeakPolarHBondContact O-CB 3.31Å; A169-H172 PolarHBondContact O-N 3.5Å; H172-G174 PolarHBondContact ND1-N 3.1Å; H172-G174 VanDerWaalsContact ND1-N 3.1Å; H172-G174 PolarHBondContact O-N 3.05Å; H172-V175 HydrophobicContact CB-CB 4.33Å; H172-V175 HydrophobicContact CB-CG2 4.23Å; H172-V175 PolarHBondContact ND1-N 3.42Å; H172-R176 WeakPolarHBondContact O-CB 3.45Å; H172-R176 PolarHBondContact O-N 3.01Å | ||
| 173 | N | 98.1 | Very high | 96.6 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 27% | 0.267 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69 | -36.5 | -172.4 | -70.5 | -41.1 | 0 | 0 | 0 | 113.7 | M126 N127 G171 R176 S177 | M126-N173 HydrophobicContact CG-CB 4.39Å; N127-N173 HydrophobicContact CB-CB 4.27Å; G171-N173 PolarHBondContact O-N 2.89Å; N173-R176 PolarHBondContact O-N 3.22Å; N173-S177 WeakPolarHBondContact O-CB 3.28Å; N173-S177 PolarHBondContact O-N 3.34Å |
| 174 | G | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -51.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M126 H172 R176 S177 C178 | M126-G174 WeakPolarHBondContact O-CA 3.36Å; M126-G174 WeakPolarHBondContact SD-CA 3.43Å; H172-G174 PolarHBondContact ND1-N 3.1Å; H172-G174 VanDerWaalsContact ND1-N 3.1Å; H172-G174 PolarHBondContact O-N 3.05Å; G174-R176 VanDerWaalsContact C-N 3.32Å; G174-R176 PolarHBondContact O-N 2.88Å; G174-S177 VanDerWaalsContact O-CB 3.28Å; G174-S177 WeakPolarHBondContact O-CB 3.3Å; G174-S177 PolarHBondContact O-N 2.86Å; G174-S177 VanDerWaalsContact O-N 3.14Å; G174-C178 PolarHBondContact O-N 3.43Å; G174-C178 PolarHBondContact O-SG 3.34Å |
| 175 | V | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.3 | -45.4 | 172.4 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | L67 H151 A169 H172 S177 C178 V179 | L67-V175 HydrophobicContact CD1-CG2 3.89Å; H151-V175 HydrophobicContact CB-CG2 4.47Å; H151-V175 VanDerWaalsContact CD2-CG2 3.47Å; H151-V175 WeakPolarHBondContact CD2-CG2 3.36Å; A169-V175 HydrophobicContact CB-CB 4.03Å; A169-V175 HydrophobicContact CB-CG1 3.83Å; H172-V175 HydrophobicContact CB-CB 4.33Å; H172-V175 HydrophobicContact CB-CG2 4.23Å; H172-V175 PolarHBondContact ND1-N 3.42Å; V175-S177 VanDerWaalsContact C-N 3.31Å; V175-S177 PolarHBondContact O-N 3.31Å; V175-C178 WeakPolarHBondContact O-CB 3.41Å; V175-C178 PolarHBondContact O-N 3.4Å; V175-C178 VanDerWaalsContact O-N 3.16Å; V175-V179 HydrophobicContact CG1-CG2 4.43Å; V175-V179 WeakPolarHBondContact O-CG2 3.26Å; V175-V179 PolarHBondContact O-N 3.33Å |
| 176 | R | 98.7 | Very high | 96.8 | Very high | 92 Ų | 92 | 43.1 Ų | 43.1 | 35% | 0.347 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.5 | -45.9 | 175.9 | -176.5 | 179.7 | -60.6 | -171.9 | 2.3 | 111.6 | A169 H172 N173 G174 C178 V179 D180 | A169-R176 HydrophobicContact CB-CB 3.81Å; H172-R176 WeakPolarHBondContact O-CB 3.45Å; H172-R176 PolarHBondContact O-N 3.01Å; N173-R176 PolarHBondContact O-N 3.22Å; G174-R176 VanDerWaalsContact C-N 3.32Å; G174-R176 PolarHBondContact O-N 2.88Å; R176-C178 VanDerWaalsContact C-N 3.3Å; R176-C178 PolarHBondContact O-N 2.95Å; R176-V179 PolarHBondContact O-N 3.13Å; R176-D180 WeakPolarHBondContact O-CB 3.49Å; R176-D180 VanDerWaalsContact O-CG 3.28Å; R176-D180 PolarHBondContact O-N 2.68Å |
| 177 | S | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.3 | -44 | 176.5 | -169.4 | 0 | 0 | 0 | 0 | 111.6 | N127 V128 G130 N173 G174 V175 D180 C181 | N127-S177 VanDerWaalsContact O-CB 3.26Å; N127-S177 WeakPolarHBondContact O-CB 3.16Å; N127-S177 PolarHBondContact O-OG 3.21Å; V128-S177 VanDerWaalsContact CA-OG 3.26Å; V128-S177 WeakPolarHBondContact CA-OG 3.47Å; G130-S177 WeakPolarHBondContact CA-OG 3.31Å; G130-S177 PolarHBondContact N-OG 3.38Å; N173-S177 WeakPolarHBondContact O-CB 3.28Å; N173-S177 PolarHBondContact O-N 3.34Å; G174-S177 VanDerWaalsContact O-CB 3.28Å; G174-S177 WeakPolarHBondContact O-CB 3.3Å; G174-S177 PolarHBondContact O-N 2.86Å; G174-S177 VanDerWaalsContact O-N 3.14Å; V175-S177 VanDerWaalsContact C-N 3.31Å; V175-S177 PolarHBondContact O-N 3.31Å; S177-D180 PolarHBondContact O-N 3.34Å; S177-C181 WeakPolarHBondContact O-CB 3.47Å; S177-C181 PolarHBondContact O-N 2.95Å; S177-C181 PolarHBondContact O-SG 3.32Å |
| 178 | C | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -46.5 | 177.3 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | L149 G174 V175 R176 D180 C181 L182 M187 | L149-C178 HydrophobicContact CD1-CB 3.99Å; G174-C178 PolarHBondContact O-N 3.43Å; G174-C178 PolarHBondContact O-SG 3.34Å; V175-C178 WeakPolarHBondContact O-CB 3.41Å; V175-C178 PolarHBondContact O-N 3.4Å; V175-C178 VanDerWaalsContact O-N 3.16Å; R176-C178 VanDerWaalsContact C-N 3.3Å; R176-C178 PolarHBondContact O-N 2.95Å; C178-D180 VanDerWaalsContact C-N 3.32Å; C178-D180 PolarHBondContact O-N 3.2Å; C178-C181 PolarHBondContact O-N 3.01Å; C178-L182 VanDerWaalsContact O-CB 3.29Å; C178-L182 WeakPolarHBondContact O-CB 3.37Å; C178-L182 WeakPolarHBondContact O-CG 3.39Å; C178-L182 PolarHBondContact O-N 3.38Å; C178-M187 HydrophobicContact CB-CE 3.99Å |
| 179 | V | 98.5 | Very high | 97.5 | Very high | 33 Ų | 33 | 39.1 Ų | 39.1 | 20% | 0.2 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -44.5 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | V175 R176 Q183 T184 D185 M187 | V175-V179 HydrophobicContact CG1-CG2 4.43Å; V175-V179 WeakPolarHBondContact O-CG2 3.26Å; V175-V179 PolarHBondContact O-N 3.33Å; R176-V179 PolarHBondContact O-N 3.13Å; V179-Q183 WeakPolarHBondContact O-CA 3.46Å; V179-Q183 PolarHBondContact O-N 2.89Å; V179-T184 WeakPolarHBondContact CA-O 3.17Å; V179-T184 PolarHBondContact O-N 3.31Å; V179-D185 HydrophobicContact CG1-CB 4.06Å; V179-D185 HydrophobicContact CG2-CB 3.9Å; V179-M187 HydrophobicContact CG2-CE 4.04Å |
| 180 | D | 98.1 | Very high | 97.6 | Very high | 65 Ų | 65 | 38.4 Ų | 38.4 | 35% | 0.348 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.4 | -35.5 | 179.4 | -70.9 | -21.2 | 0 | 0 | 0 | 112.1 | R176 S177 C178 Q183 | R176-D180 WeakPolarHBondContact O-CB 3.49Å; R176-D180 VanDerWaalsContact O-CG 3.28Å; R176-D180 PolarHBondContact O-N 2.68Å; S177-D180 PolarHBondContact O-N 3.34Å; C178-D180 VanDerWaalsContact C-N 3.32Å; C178-D180 PolarHBondContact O-N 3.2Å; D180-Q183 PolarHBondContact O-NE2 3.17Å |
| 181 | C | 98.3 | Very high | 97.9 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -80.7 | -37.6 | -179.8 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | N36 L40 G130 A134 S177 C178 | N36-C181 PolarHBondContact ND2-SG 2.92Å; N36-C181 VanDerWaalsContact ND2-SG 3.4Å; L40-C181 HydrophobicContact CD1-CB 3.95Å; G130-C181 VanDerWaalsContact O-CB 3.32Å; G130-C181 WeakPolarHBondContact O-CB 3.32Å; A134-C181 HydrophobicContact CB-CB 3.87Å; S177-C181 WeakPolarHBondContact O-CB 3.47Å; S177-C181 PolarHBondContact O-N 2.95Å; S177-C181 PolarHBondContact O-SG 3.32Å; C178-C181 PolarHBondContact O-N 3.01Å |
| 182 | L | 97.2 | Very high | 98.2 | Very high | 21 Ų | 21 | 30.5 Ų | 30.5 | 11% | 0.11 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -86.2 | -9.3 | -179.9 | -66.2 | 167.2 | 0 | 0 | 0 | 113.1 | V133 A134 A137 I147 C178 T184 M187 | V133-L182 HydrophobicContact CG1-CD1 4.06Å; A134-L182 HydrophobicContact CB-CD2 4.07Å; A137-L182 HydrophobicContact CB-CD2 4.23Å; I147-L182 HydrophobicContact CD1-CD1 3.83Å; I147-L182 HydrophobicContact CD1-CD2 4.22Å; C178-L182 VanDerWaalsContact O-CB 3.29Å; C178-L182 WeakPolarHBondContact O-CB 3.37Å; C178-L182 WeakPolarHBondContact O-CG 3.39Å; C178-L182 PolarHBondContact O-N 3.38Å; L182-T184 HydrophobicContact CB-CG2 4.13Å; L182-T184 PolarHBondContact O-N 3.49Å; L182-M187 HydrophobicContact CB-SD 4.45Å; L182-M187 HydrophobicContact CD1-CE 3.7Å; L182-M187 HydrophobicContact CD1-CG 4.09Å; L182-M187 HydrophobicContact CD1-SD 3.63Å |
| 183 | Q | 97.8 | Very high | 98.2 | Very high | 151 Ų | 151 | 29.6 Ų | 29.6 | 71% | 0.706 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 26.4 | -178.4 | -61.2 | -70.3 | -60 | 0 | 0 | 113.8 | V179 D180 | V179-Q183 WeakPolarHBondContact O-CA 3.46Å; V179-Q183 PolarHBondContact O-N 2.89Å; D180-Q183 PolarHBondContact O-NE2 3.17Å |
| 184 | T | 97.4 | Very high | 98.2 | Very high | 39 Ų | 39 | 27.5 Ų | 27.5 | 24% | 0.239 | 14% | 0.138 | C | C | . | . | trans | -155.7 | 156.9 | 179.7 | -173.7 | 0 | 0 | 0 | 0 | 110.4 | P144 V179 L182 V186 M187 | P144-T184 HydrophobicContact CB-CG2 3.46Å; P144-T184 VanDerWaalsContact CB-CG2 3.46Å; P144-T184 HydrophobicContact CG-CG2 3.68Å; V179-T184 WeakPolarHBondContact CA-O 3.17Å; V179-T184 PolarHBondContact O-N 3.31Å; L182-T184 HydrophobicContact CB-CG2 4.13Å; L182-T184 PolarHBondContact O-N 3.49Å; T184-V186 HydrophobicContact CG2-CG2 3.94Å; T184-V186 WeakPolarHBondContact OG1-CG1 3.49Å; T184-M187 HydrophobicContact CG2-SD 3.98Å; T184-M187 WeakPolarHBondContact O-CE 3.36Å | ||
| 185 | D | 97.3 | Very high | 98.2 | Very high | 41 Ų | 41 | 28.2 Ų | 28.2 | 22% | 0.219 | 15% | 0.146 | C | C | . | . | trans | -117.5 | 18.4 | 179.3 | 73.6 | -19.4 | 0 | 0 | 0 | 113.3 | G166 G167 V179 M187 | G166-D185 CarbonylContact C-O 3.29Å; G166-D185 VanDerWaalsContact C-O 3.29Å; G166-D185 WeakPolarHBondContact CA-O 3.42Å; G167-D185 VanDerWaalsContact C-OD2 3.26Å; G167-D185 WeakPolarHBondContact CA-OD2 3.22Å; G167-D185 PolarHBondContact N-O 2.96Å; V179-D185 HydrophobicContact CG1-CB 4.06Å; V179-D185 HydrophobicContact CG2-CB 3.9Å; D185-M187 VanDerWaalsContact C-N 3.34Å; D185-M187 PolarHBondContact O-N 3.24Å | ||
| 186 | V | 97.8 | Very high | 98.1 | Very high | 61 Ų | 61 | 35.1 Ų | 35.1 | 37% | 0.37 | 17% | 0.172 | S | C | . | . | trans | -75 | -18.1 | -175.5 | -63 | 0 | 0 | 0 | 0 | 114.4 | P144 T184 P188 | P144-V186 HydrophobicContact CB-CG2 3.69Å; T184-V186 HydrophobicContact CG2-CG2 3.94Å; T184-V186 WeakPolarHBondContact OG1-CG1 3.49Å; V186-P188 WeakPolarHBondContact O-CD 3.47Å | ||
| 187 | M | 97.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.02 | 16% | 0.164 | C | C | . | . | trans | -51.4 | 121.9 | -176.2 | -63.7 | 79.2 | 74.7 | 0 | 0 | 111.4 | P144 I147 L149 C178 V179 L182 T184 D185 | P144-M187 HydrophobicContact CB-CG 4.45Å; P144-M187 HydrophobicContact CB-SD 4.03Å; P144-M187 WeakPolarHBondContact O-CG 3.43Å; I147-M187 HydrophobicContact CB-CG 3.95Å; I147-M187 HydrophobicContact CG2-CG 4.3Å; I147-M187 WeakPolarHBondContact O-CB 3.42Å; L149-M187 HydrophobicContact CD1-CB 4.17Å; L149-M187 HydrophobicContact CD1-CE 4.36Å; L149-M187 HydrophobicContact CG-CB 4.22Å; C178-M187 HydrophobicContact CB-CE 3.99Å; V179-M187 HydrophobicContact CG2-CE 4.04Å; L182-M187 HydrophobicContact CB-SD 4.45Å; L182-M187 HydrophobicContact CD1-CE 3.7Å; L182-M187 HydrophobicContact CD1-CG 4.09Å; L182-M187 HydrophobicContact CD1-SD 3.63Å; T184-M187 HydrophobicContact CG2-SD 3.98Å; T184-M187 WeakPolarHBondContact O-CE 3.36Å; D185-M187 VanDerWaalsContact C-N 3.34Å; D185-M187 PolarHBondContact O-N 3.24Å | ||
| 188 | P | 97.6 | Very high | 97.4 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 10% | 0.104 | 20% | 0.198 | C | C | . | . | trans | -62.1 | 153 | 169.7 | 25.1 | -33.9 | 0 | 0 | 0 | 111.3 | I147 L148 L149 K164 V186 | I147-P188 WeakPolarHBondContact O-CD 3.47Å; L148-P188 WeakPolarHBondContact CA-O 3.22Å; L148-P188 HydrophobicContact CD1-CB 3.93Å; L148-P188 HydrophobicContact CD1-CG 4.16Å; L149-P188 PolarHBondContact N-O 2.79Å; K164-P188 CarbonylContact O-C 3.59Å; K164-P188 WeakPolarHBondContact O-CA 3.41Å; V186-P188 WeakPolarHBondContact O-CD 3.47Å | ||
| 189 | R | 98.3 | Very high | 97 | Very high | 8 Ų | 8 | 40 Ų | 40 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 125.1 | -171.5 | -73.2 | 174.8 | -79.3 | -177.9 | -7.7 | 112.4 | L149 I163 K164 G166 G167 S168 R191 | L149-R189 HydrophobicContact CB-CG 4.11Å; L149-R189 HydrophobicContact CD1-CG 4.5Å; L149-R189 CarbonylContact O-C 3.57Å; L149-R189 VanDerWaalsContact O-CA 3.23Å; L149-R189 WeakPolarHBondContact O-CA 3.48Å; I163-R189 CarbonylContact C-O 3.48Å; I163-R189 VanDerWaalsContact CA-O 3.29Å; I163-R189 WeakPolarHBondContact CA-O 3.33Å; K164-R189 PolarHBondContact N-O 2.59Å; K164-R189 PolarHBondContact O-N 2.99Å; G166-R189 PolarHBondContact O-NH2 3.26Å; G167-R189 PolarHBondContact O-NH2 2.8Å; S168-R189 PolarHBondContact O-NH1 2.96Å; S168-R189 PolarHBondContact O-NH2 3.44Å; R189-R191 HydrophobicContact CB-CG 4.23Å |
| 190 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 114.2 | 159.7 | 178 | 61.9 | 0 | 0 | 0 | 109.1 | V83 L149 V150 H151 I161 I163 L229 L230 | V83-L190 HydrophobicContact CG1-CD2 4.28Å; L149-L190 PolarHBondContact O-N 2.95Å; V150-L190 WeakPolarHBondContact CA-O 3.01Å; V150-L190 HydrophobicContact CG1-CB 4.21Å; V150-L190 HydrophobicContact CG1-CD2 4.01Å; V150-L190 HydrophobicContact CG1-CG 4.21Å; V150-L190 HydrophobicContact CG2-CB 4.25Å; H151-L190 PolarHBondContact N-O 3.22Å; H151-L190 VanDerWaalsContact N-O 3.13Å; I161-L190 HydrophobicContact CB-CD1 4.26Å; I163-L190 HydrophobicContact CD1-CB 3.91Å; I163-L190 HydrophobicContact CD1-CD1 3.81Å; I163-L190 HydrophobicContact CD1-CG 4.43Å; L190-L229 HydrophobicContact CD1-CD1 4.11Å; L190-L230 HydrophobicContact CB-CD2 4.19Å; L190-L230 HydrophobicContact CD2-CD1 4.13Å; L190-L230 HydrophobicContact CD2-CD2 3.78Å; L190-L230 HydrophobicContact CD2-CG 3.78Å |
| 191 | R | 98.6 | Very high | 96.4 | Very high | 32 Ų | 32 | 48.9 Ų | 48.9 | 12% | 0.121 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 116.7 | -177.9 | -61.1 | -174.7 | -63.7 | 161.1 | -6.5 | 109.5 | E153 I161 A162 R189 | E153-R191 HydrophobicContact CB-CB 3.96Å; E153-R191 HydrophobicContact CG-CB 4.32Å; E153-R191 WeakPolarHBondContact OE2-CD 3.47Å; E153-R191 IonicContact OE2-CZ 2.72Å; E153-R191 IonicContact OE2-NE 3.83Å; E153-R191 IonicContact OE2-NH1 3.63Å; E153-R191 PolarHBondContact OE2-NH1 3.19Å; I161-R191 VanDerWaalsContact CA-O 3.29Å; I161-R191 WeakPolarHBondContact CA-O 3.3Å; A162-R191 PolarHBondContact N-O 2.85Å; A162-R191 WeakPolarHBondContact O-CB 3.12Å; A162-R191 PolarHBondContact O-N 3.37Å; R189-R191 HydrophobicContact CB-CG 4.23Å |
| 192 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 114.1 | -179.8 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | V79 V83 V150 H151 D152 E153 I161 I194 V222 | V79-V192 HydrophobicContact CG1-CB 3.99Å; V79-V192 HydrophobicContact CG1-CG1 4.22Å; V79-V192 HydrophobicContact CG2-CB 4.4Å; V79-V192 HydrophobicContact CG2-CG1 3.82Å; V83-V192 HydrophobicContact CG2-CG2 4.1Å; V150-V192 HydrophobicContact CG1-CG2 4.24Å; H151-V192 PolarHBondContact O-N 3.33Å; D152-V192 CarbonylContact C-O 3.59Å; D152-V192 WeakPolarHBondContact CA-O 3.39Å; E153-V192 PolarHBondContact N-O 2.96Å; I161-V192 HydrophobicContact CG2-CG1 4.37Å; I161-V192 HydrophobicContact CG2-CG2 4.49Å; V192-I194 PolarHBondContact O-N 2.92Å; V192-V222 HydrophobicContact CG1-CG1 3.59Å |
| 193 | G | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 132.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E153 K156 L158 K160 | E153-G193 WeakPolarHBondContact O-CA 3.37Å; K156-G193 CarbonylContact O-C 3.56Å; K156-G193 WeakPolarHBondContact O-CA 3.35Å; L158-G193 VanDerWaalsContact CA-O 3.31Å; L158-G193 WeakPolarHBondContact CA-O 3.24Å; L158-G193 WeakPolarHBondContact CD1-O 3.29Å; K160-G193 WeakPolarHBondContact O-CA 3.41Å; K160-G193 PolarHBondContact O-N 3.37Å |
| 194 | I | 98.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | trans | -126.6 | 0 | 174.3 | 61.3 | 158.3 | 0 | 0 | 0 | 112.9 | R76 D152 E153 L154 K156 V192 H206 V207 F211 | R76-I194 HydrophobicContact CB-CB 4.35Å; R76-I194 HydrophobicContact CB-CD1 3.93Å; R76-I194 HydrophobicContact CB-CG2 4.17Å; R76-I194 HydrophobicContact CG-CB 4.33Å; R76-I194 HydrophobicContact CG-CG2 4.37Å; D152-I194 HydrophobicContact CB-CD1 3.74Å; D152-I194 HydrophobicContact CB-CG1 3.99Å; D152-I194 HydrophobicContact CB-CG2 3.73Å; D152-I194 WeakPolarHBondContact OD2-CD1 3.41Å; E153-I194 PolarHBondContact O-N 3.17Å; L154-I194 HydrophobicContact CD2-CD1 3.71Å; L154-I194 HydrophobicContact CD2-CG1 4.13Å; L154-I194 HydrophobicContact CG-CD1 4.31Å; K156-I194 PolarHBondContact O-N 3.46Å; K156-I194 VanDerWaalsContact O-N 3.1Å; V192-I194 PolarHBondContact O-N 2.92Å; I194-H206 PolarHBondContact O-NE2 3.28Å; I194-V207 HydrophobicContact CD1-CG1 3.84Å; I194-F211 HydrophobicContact CG2-CE1 4.23Å; I194-F211 HydrophobicContact CG2-CZ 4.02Å | ||
| 195 | G | 97.6 | Very high | 96.2 | Very high | 16 Ų | 16 | 59 Ų | 59 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | trans | 65.1 | 167.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L154 K156 H206 | L154-G195 WeakPolarHBondContact CD2-O 3.48Å; L154-G195 CarbonylContact O-C 3.51Å; L154-G195 WeakPolarHBondContact O-CA 3.32Å; K156-G195 WeakPolarHBondContact O-CA 3.36Å; K156-G195 PolarHBondContact O-N 3.49Å; G195-H206 PolarHBondContact O-NE2 3.08Å | ||
| 196 | R | 96.8 | Very high | 96.2 | Very high | 146 Ų | 146 | 57.8 Ų | 57.8 | 55% | 0.551 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -85.8 | 149 | 167.3 | -73.1 | -178.3 | 172.8 | -88.3 | -3.7 | 109.7 | L154 D155 A198 | L154-R196 HydrophobicContact CB-CG 4.11Å; L154-R196 WeakPolarHBondContact O-CG 3.49Å; L154-R196 PolarHBondContact O-N 2.8Å; D155-R196 IonicContact OD1-CZ 3.86Å; D155-R196 IonicContact OD1-NE 3.59Å; D155-R196 PolarHBondContact OD1-NE 2.79Å; D155-R196 IonicContact OD1-NH2 3.23Å; D155-R196 PolarHBondContact OD1-NH2 3.32Å; D155-R196 IonicContact OD2-NH2 2.79Å; R196-A198 PolarHBondContact O-N 3.29Å |
| 197 | P | 95.3 | Very high | 96.2 | Very high | 28 Ų | 28 | 55.4 Ų | 55.4 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 140.1 | 173 | 21.4 | -29.7 | 0 | 0 | 0 | 110.9 | T201 V203 H206 | P197-T201 HydrophobicContact CB-CG2 4.04Å; P197-T201 WeakPolarHBondContact CB-O 3.29Å; P197-T201 VanDerWaalsContact CG-O 3.32Å; P197-T201 WeakPolarHBondContact CG-O 3.35Å; P197-V203 HydrophobicContact CG-CG2 4.23Å; P197-H206 HydrophobicContact CB-CB 3.83Å; P197-H206 HydrophobicContact CG-CB 3.9Å |
| 198 | A | 87.8 | Confident | 96.2 | Very high | 89 Ų | 89 | 59.1 Ų | 59.1 | 74% | 0.736 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -80.8 | 152.4 | 168 | 0 | 0 | 0 | 0 | 0 | 110.9 | R196 | R196-A198 PolarHBondContact O-N 3.29Š|
| 199 | G | 89.9 | Confident | 96.2 | Very high | 80 Ų | 80 | 60.4 Ų | 60.4 | 83% | 0.825 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | -135.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 200 | K | 91.1 | Very high | 96.2 | Very high | 220 Ų | 220 | 67.8 Ų | 67.8 | 96% | 0.957 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 3 | -172.1 | -62.9 | -177.5 | -179.3 | 177.5 | 0 | 114.3 | S202 | K200-S202 PolarHBondContact O-N 3.45Š|
| 201 | T | 94.1 | Very high | 96.2 | Very high | 64 Ų | 64 | 68.4 Ų | 68.4 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | trans | -68.8 | 128.7 | -178.7 | -62.6 | 0 | 0 | 0 | 0 | 110.3 | P197 R205 H206 | P197-T201 HydrophobicContact CB-CG2 4.04Å; P197-T201 WeakPolarHBondContact CB-O 3.29Å; P197-T201 VanDerWaalsContact CG-O 3.32Å; P197-T201 WeakPolarHBondContact CG-O 3.35Å; T201-R205 HydrophobicContact CG2-CB 4.24Å; T201-R205 HydrophobicContact CG2-CG 4.33Å; T201-H206 HydrophobicContact CG2-CB 4.36Å | ||
| 202 | S | 96.3 | Very high | 96.1 | Very high | 61 Ų | 61 | 70 Ų | 70 | 43% | 0.427 | 37% | 0.373 | S | S | . | . | trans | -68.5 | 150.6 | 176.3 | 70.4 | 0 | 0 | 0 | 0 | 111.1 | K200 E204 R205 H206 | K200-S202 PolarHBondContact O-N 3.45Å; S202-E204 PolarHBondContact O-N 2.83Å; S202-R205 PolarHBondContact O-N 3.06Å; S202-R205 WeakPolarHBondContact OG-CB 3.45Å; S202-R205 PolarHBondContact OG-N 3.48Å; S202-H206 WeakPolarHBondContact O-CB 3.35Å; S202-H206 PolarHBondContact O-N 3.3Å | ||
| 203 | V | 96.6 | Very high | 96 | Very high | 57 Ų | 57 | 74.8 Ų | 74.8 | 35% | 0.345 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.9 | -40.4 | 175 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L154 P197 R205 H206 V207 | L154-V203 HydrophobicContact CD1-CG1 3.42Å; L154-V203 VanDerWaalsContact CD1-CG1 3.42Å; L154-V203 HydrophobicContact CD2-CG1 4.23Å; L154-V203 HydrophobicContact CG-CG1 4.48Å; P197-V203 HydrophobicContact CG-CG2 4.23Å; V203-R205 PolarHBondContact O-N 3.06Å; V203-H206 WeakPolarHBondContact O-CB 3.44Å; V203-H206 PolarHBondContact O-N 3.37Å; V203-V207 HydrophobicContact CG1-CG1 4.32Å; V203-V207 WeakPolarHBondContact O-CG1 3.38Å; V203-V207 WeakPolarHBondContact O-CG2 3.19Å; V203-V207 PolarHBondContact O-N 2.86Å |
| 204 | E | 95.9 | Very high | 95.9 | Very high | 131 Ų | 131 | 80.6 Ų | 80.6 | 61% | 0.612 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.1 | -45.5 | 178.8 | -64.7 | 177 | 159.9 | 0 | 0 | 111.7 | S202 V207 L208 | S202-E204 PolarHBondContact O-N 2.83Å; E204-V207 WeakPolarHBondContact O-CG2 3.43Å; E204-L208 WeakPolarHBondContact O-CB 3.34Å; E204-L208 WeakPolarHBondContact O-CG 3.32Å; E204-L208 PolarHBondContact O-N 3.06Å |
| 205 | R | 96.8 | Very high | 95.9 | Very high | 179 Ų | 179 | 82.3 Ų | 82.3 | 68% | 0.675 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -67.1 | -38.8 | 176 | -177.1 | 177.8 | -73.5 | 168.6 | -3.7 | 111.5 | T201 S202 V203 L208 S209 | T201-R205 HydrophobicContact CG2-CB 4.24Å; T201-R205 HydrophobicContact CG2-CG 4.33Å; S202-R205 PolarHBondContact O-N 3.06Å; S202-R205 WeakPolarHBondContact OG-CB 3.45Å; S202-R205 PolarHBondContact OG-N 3.48Å; V203-R205 PolarHBondContact O-N 3.06Å; R205-L208 PolarHBondContact O-N 3.19Å; R205-S209 WeakPolarHBondContact O-CB 3.4Å; R205-S209 PolarHBondContact O-N 3.29Å; R205-S209 VanDerWaalsContact O-N 3.09Å |
| 206 | H | 97.6 | Very high | 95.9 | Very high | 17 Ų | 17 | 84.9 Ų | 84.9 | 8% | 0.079 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -58.2 | -55.9 | 177.9 | -176 | 68.3 | 0 | 0 | 0 | 111.4 | R76 I194 G195 P197 T201 S202 V203 L208 S209 | R76-H206 WeakPolarHBondContact CD-O 3.41Å; R76-H206 PolarHBondContact NE-CE1 3.42Å; R76-H206 VanDerWaalsContact NE-CE1 3.29Å; I194-H206 PolarHBondContact O-NE2 3.28Å; G195-H206 PolarHBondContact O-NE2 3.08Å; P197-H206 HydrophobicContact CB-CB 3.83Å; P197-H206 HydrophobicContact CG-CB 3.9Å; T201-H206 HydrophobicContact CG2-CB 4.36Å; S202-H206 WeakPolarHBondContact O-CB 3.35Å; S202-H206 PolarHBondContact O-N 3.3Å; V203-H206 WeakPolarHBondContact O-CB 3.44Å; V203-H206 PolarHBondContact O-N 3.37Å; H206-L208 PolarHBondContact O-N 3.24Å; H206-S209 PolarHBondContact O-N 3.22Å; H206-S209 PolarHBondContact O-OG 2.91Å |
| 207 | V | 97.9 | Very high | 95.8 | Very high | 11 Ų | 11 | 84.6 Ų | 84.6 | 7% | 0.067 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -64.2 | -32.8 | -176.9 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | R76 H77 L154 I194 V203 E204 S209 | R76-V207 WeakPolarHBondContact CB-O 3.5Å; R76-V207 PolarHBondContact N-O 3.46Å; H77-V207 HydrophobicContact CB-CB 3.93Å; H77-V207 HydrophobicContact CB-CG2 4.24Å; H77-V207 WeakPolarHBondContact CB-O 3.28Å; H77-V207 PolarHBondContact N-O 3.44Å; L154-V207 HydrophobicContact CD2-CG1 3.98Å; I194-V207 HydrophobicContact CD1-CG1 3.84Å; V203-V207 HydrophobicContact CG1-CG1 4.32Å; V203-V207 WeakPolarHBondContact O-CG1 3.38Å; V203-V207 WeakPolarHBondContact O-CG2 3.19Å; V203-V207 PolarHBondContact O-N 2.86Å; E204-V207 WeakPolarHBondContact O-CG2 3.43Å; V207-S209 VanDerWaalsContact C-N 3.28Å; V207-S209 PolarHBondContact O-N 3.35Å |
| 208 | L | 97.7 | Very high | 96 | Very high | 82 Ų | 82 | 86.4 Ų | 86.4 | 43% | 0.429 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -79.6 | -7 | 177.7 | -64.9 | 178.7 | 0 | 0 | 0 | 114.2 | M72 T75 E204 R205 H206 | M72-L208 HydrophobicContact CE-CD2 3.45Å; M72-L208 VanDerWaalsContact CE-CD2 3.45Å; M72-L208 HydrophobicContact SD-CD2 4.19Å; T75-L208 VanDerWaalsContact CG2-O 3.22Å; T75-L208 WeakPolarHBondContact CG2-O 3.49Å; E204-L208 WeakPolarHBondContact O-CB 3.34Å; E204-L208 WeakPolarHBondContact O-CG 3.32Å; E204-L208 PolarHBondContact O-N 3.06Å; R205-L208 PolarHBondContact O-N 3.19Å; H206-L208 PolarHBondContact O-N 3.24Å |
| 209 | S | 97.8 | Very high | 96.5 | Very high | 42 Ų | 42 | 82.4 Ų | 82.4 | 29% | 0.294 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -86.4 | 148.3 | 178.8 | 66.9 | 0 | 0 | 0 | 0 | 112.1 | T75 R76 R205 H206 V207 | T75-S209 WeakPolarHBondContact CA-O 3.4Å; R76-S209 PolarHBondContact N-O 2.93Å; R76-S209 PolarHBondContact NH1-O 2.88Å; R76-S209 VanDerWaalsContact NH1-O 3.13Å; R76-S209 PolarHBondContact NH1-OG 3.11Å; R205-S209 WeakPolarHBondContact O-CB 3.4Å; R205-S209 PolarHBondContact O-N 3.29Å; R205-S209 VanDerWaalsContact O-N 3.09Å; H206-S209 PolarHBondContact O-N 3.22Å; H206-S209 PolarHBondContact O-OG 2.91Å; V207-S209 VanDerWaalsContact C-N 3.28Å; V207-S209 PolarHBondContact O-N 3.35Å |
| 210 | R | 98.3 | Very high | 96.8 | Very high | 163 Ų | 163 | 84.9 Ų | 84.9 | 62% | 0.615 | 42% | 0.415 | S | S | * | . | B | Isolated β-bridge | trans | -68.7 | 148.9 | 174.1 | -69.3 | 179.2 | 174.8 | -94 | -6.6 | 111.1 | E73 G74 T75 R76 | E73-R210 VanDerWaalsContact O-CZ 3.25Å; E73-R210 PolarHBondContact O-NH1 3.18Å; E73-R210 PolarHBondContact O-NH2 2.94Å; G74-R210 VanDerWaalsContact O-CA 3.31Å; G74-R210 WeakPolarHBondContact O-CA 3.46Å; T75-R210 HydrophobicContact CG2-CG 4.23Å; R76-R210 VanDerWaalsContact NH1-C 3.33Å; R76-R210 PolarHBondContact NH1-O 3.15Å |
| 211 | F | 98 | Very high | 97.1 | Very high | 13 Ų | 13 | 76.7 Ų | 76.7 | 6% | 0.057 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 139.6 | 168.9 | -66.8 | -82.4 | 0 | 0 | 0 | 110.1 | G74 R76 V79 L158 I194 E215 Q216 L219 | G74-F211 WeakPolarHBondContact O-CD2 3.46Å; G74-F211 PolarHBondContact O-N 3.21Å; R76-F211 HydrophobicContact CB-CE2 4.48Å; R76-F211 HydrophobicContact CB-CZ 4.18Å; R76-F211 HydrophobicContact CG-CD1 3.98Å; R76-F211 HydrophobicContact CG-CD2 4.45Å; R76-F211 HydrophobicContact CG-CE1 3.64Å; R76-F211 HydrophobicContact CG-CE2 4.13Å; R76-F211 HydrophobicContact CG-CG 4.4Å; R76-F211 HydrophobicContact CG-CZ 3.73Å; V79-F211 HydrophobicContact CB-CE2 4.29Å; V79-F211 HydrophobicContact CB-CZ 4.26Å; V79-F211 HydrophobicContact CG2-CE2 4.22Å; V79-F211 HydrophobicContact CG2-CZ 4.08Å; L158-F211 HydrophobicContact CD1-CE1 4Å; L158-F211 HydrophobicContact CD2-CD1 4.22Å; L158-F211 HydrophobicContact CD2-CE1 4.26Å; I194-F211 HydrophobicContact CG2-CE1 4.23Å; I194-F211 HydrophobicContact CG2-CZ 4.02Å; F211-E215 VanDerWaalsContact CA-OE2 3.23Å; F211-E215 WeakPolarHBondContact CA-OE2 3.49Å; F211-E215 HydrophobicContact CB-CB 3.96Å; F211-E215 HydrophobicContact CD1-CB 3.97Å; F211-E215 HydrophobicContact CG-CB 4.46Å; F211-Q216 HydrophobicContact CB-CG 4.15Å; F211-L219 HydrophobicContact CD2-CD2 3.69Å; F211-L219 HydrophobicContact CE2-CD1 4.47Å; F211-L219 HydrophobicContact CE2-CD2 3.81Å; F211-L219 HydrophobicContact CG-CD2 4.18Å; F211-L219 HydrophobicContact CZ-CD1 4.33Å; F211-L219 HydrophobicContact CZ-CD2 4.38Å |
| 212 | T | 97.4 | Very high | 97.3 | Very high | 65 Ų | 65 | 73.8 Ų | 73.8 | 40% | 0.399 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 166.2 | 173.5 | 77.5 | 0 | 0 | 0 | 0 | 110.9 | E214 E215 Q216 | T212-E214 PolarHBondContact O-N 3.04Å; T212-E214 PolarHBondContact OG1-N 3.25Å; T212-E214 PolarHBondContact OG1-OE2 2.93Å; T212-E214 VanDerWaalsContact OG1-OE2 3.06Å; T212-E215 PolarHBondContact N-OE2 3.06Å; T212-E215 PolarHBondContact O-N 2.98Å; T212-E215 VanDerWaalsContact O-N 3.12Å; T212-E215 PolarHBondContact OG1-N 3.49Å; T212-Q216 VanDerWaalsContact O-CG 3.26Å; T212-Q216 WeakPolarHBondContact O-CG 3.43Å; T212-Q216 PolarHBondContact O-N 2.98Å |
| 213 | T | 96.8 | Very high | 97.4 | Very high | 101 Ų | 101 | 72.6 Ų | 72.6 | 62% | 0.62 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -55.9 | -37.9 | 177 | -53 | 0 | 0 | 0 | 0 | 112.5 | Q216 K217 | T213-Q216 PolarHBondContact O-N 3.1Å; T213-K217 PolarHBondContact O-N 3.41Å |
| 214 | E | 96.3 | Very high | 97.5 | Very high | 122 Ų | 122 | 73.2 Ų | 73.2 | 57% | 0.57 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -70.7 | -42.1 | 177.6 | -61.3 | 66.9 | -143.4 | 0 | 0 | 111.3 | T212 Q216 K217 | T212-E214 PolarHBondContact O-N 3.04Å; T212-E214 PolarHBondContact OG1-N 3.25Å; T212-E214 PolarHBondContact OG1-OE2 2.93Å; T212-E214 VanDerWaalsContact OG1-OE2 3.06Å; E214-Q216 VanDerWaalsContact C-N 3.31Å; E214-Q216 PolarHBondContact O-N 3.48Å; E214-K217 PolarHBondContact O-N 3.43Å |
| 215 | E | 97.8 | Very high | 97.6 | Very high | 42 Ų | 42 | 71.4 Ų | 71.4 | 20% | 0.196 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.5 | -34.8 | 175.4 | -71.9 | 175.4 | 141.4 | 0 | 0 | 111.9 | R76 L158 F211 T212 K217 V218 L219 | R76-E215 IonicContact CZ-OE1 3.93Å; R76-E215 IonicContact CZ-OE2 3.8Å; R76-E215 IonicContact NE-OE1 2.7Å; R76-E215 IonicContact NH2-OE1 3.19Å; R76-E215 PolarHBondContact NH2-OE1 2.92Å; R76-E215 IonicContact NH2-OE2 3.85Å; R76-E215 PolarHBondContact NH2-OE2 3.28Å; L158-E215 HydrophobicContact CD2-CB 3.61Å; L158-E215 HydrophobicContact CD2-CG 3.85Å; F211-E215 VanDerWaalsContact CA-OE2 3.23Å; F211-E215 WeakPolarHBondContact CA-OE2 3.49Å; F211-E215 HydrophobicContact CB-CB 3.96Å; F211-E215 HydrophobicContact CD1-CB 3.97Å; F211-E215 HydrophobicContact CG-CB 4.46Å; T212-E215 PolarHBondContact N-OE2 3.06Å; T212-E215 PolarHBondContact O-N 2.98Å; T212-E215 VanDerWaalsContact O-N 3.12Å; T212-E215 PolarHBondContact OG1-N 3.49Å; E215-K217 VanDerWaalsContact C-N 3.3Å; E215-K217 PolarHBondContact O-N 3Å; E215-V218 CarbonylContact O-C 3.6Å; E215-V218 PolarHBondContact O-N 2.97Å; E215-V218 VanDerWaalsContact O-N 3.12Å; E215-L219 WeakPolarHBondContact O-CB 3.46Å; E215-L219 PolarHBondContact O-N 3.07Å |
| 216 | Q | 97.1 | Very high | 97.7 | Very high | 69 Ų | 69 | 62.9 Ų | 62.9 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.6 | -39.8 | 176.6 | -71.7 | -71.3 | 0 | 0 | 0 | 111.8 | F211 T212 T213 E214 V218 L219 E220 | F211-Q216 HydrophobicContact CB-CG 4.15Å; T212-Q216 VanDerWaalsContact O-CG 3.26Å; T212-Q216 WeakPolarHBondContact O-CG 3.43Å; T212-Q216 PolarHBondContact O-N 2.98Å; T213-Q216 PolarHBondContact O-N 3.1Å; E214-Q216 VanDerWaalsContact C-N 3.31Å; E214-Q216 PolarHBondContact O-N 3.48Å; Q216-V218 VanDerWaalsContact C-N 3.28Å; Q216-V218 PolarHBondContact O-N 3.37Å; Q216-L219 WeakPolarHBondContact O-CA 3.32Å; Q216-L219 WeakPolarHBondContact O-CB 3.2Å; Q216-L219 PolarHBondContact O-N 2.79Å; Q216-E220 PolarHBondContact O-N 3.48Å |
| 217 | K | 96.5 | Very high | 97.8 | Very high | 141 Ų | 141 | 62.2 Ų | 62.2 | 61% | 0.613 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.7 | -39.4 | 175 | -63.1 | 174.5 | -176.5 | 177.5 | 0 | 112.1 | T213 E214 E215 | T213-K217 PolarHBondContact O-N 3.41Å; E214-K217 PolarHBondContact O-N 3.43Å; E215-K217 VanDerWaalsContact C-N 3.3Å; E215-K217 PolarHBondContact O-N 3Å |
| 218 | V | 97.9 | Very high | 97.7 | Very high | 65 Ų | 65 | 65.2 Ų | 65.2 | 39% | 0.394 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -73.1 | -37.4 | 175.1 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | L158 E215 Q216 E220 A221 V222 | L158-V218 HydrophobicContact CD2-CB 4.02Å; L158-V218 HydrophobicContact CD2-CG1 4.24Å; L158-V218 HydrophobicContact CG-CB 4.22Å; L158-V218 HydrophobicContact CG-CG1 3.89Å; E215-V218 CarbonylContact O-C 3.6Å; E215-V218 PolarHBondContact O-N 2.97Å; E215-V218 VanDerWaalsContact O-N 3.12Å; Q216-V218 VanDerWaalsContact C-N 3.28Å; Q216-V218 PolarHBondContact O-N 3.37Å; V218-E220 VanDerWaalsContact C-N 3.31Å; V218-E220 PolarHBondContact O-N 2.91Å; V218-A221 PolarHBondContact O-N 2.8Å; V218-V222 HydrophobicContact CG1-CG2 4.45Å; V218-V222 WeakPolarHBondContact O-CG2 3.43Å; V218-V222 PolarHBondContact O-N 2.94Å; V218-V222 VanDerWaalsContact O-N 3.1Å |
| 219 | L | 97.9 | Very high | 97.7 | Very high | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.8 | -38.3 | -179.7 | -175.4 | 61.8 | 0 | 0 | 0 | 111.6 | V79 L158 F211 E215 Q216 A221 V222 L223 | V79-L219 HydrophobicContact CG2-CD1 3.87Å; L158-L219 HydrophobicContact CD1-CD1 4.43Å; F211-L219 HydrophobicContact CD2-CD2 3.69Å; F211-L219 HydrophobicContact CE2-CD1 4.47Å; F211-L219 HydrophobicContact CE2-CD2 3.81Å; F211-L219 HydrophobicContact CG-CD2 4.18Å; F211-L219 HydrophobicContact CZ-CD1 4.33Å; F211-L219 HydrophobicContact CZ-CD2 4.38Å; E215-L219 WeakPolarHBondContact O-CB 3.46Å; E215-L219 PolarHBondContact O-N 3.07Å; Q216-L219 WeakPolarHBondContact O-CA 3.32Å; Q216-L219 WeakPolarHBondContact O-CB 3.2Å; Q216-L219 PolarHBondContact O-N 2.79Å; L219-A221 VanDerWaalsContact C-N 3.33Å; L219-A221 PolarHBondContact O-N 3.29Å; L219-V222 HydrophobicContact CD1-CB 4.3Å; L219-V222 HydrophobicContact CD1-CG1 4.2Å; L219-V222 CarbonylContact O-C 3.54Å; L219-V222 WeakPolarHBondContact O-CA 3.21Å; L219-V222 WeakPolarHBondContact O-CB 3.44Å; L219-V222 PolarHBondContact O-N 3.44Å; L219-L223 HydrophobicContact CD1-CD2 4.39Å; L219-L223 HydrophobicContact CD1-CG 4.34Å; L219-L223 HydrophobicContact CG-CD1 4.39Å; L219-L223 HydrophobicContact CG-CG 4.2Å; L219-L223 WeakPolarHBondContact O-CG 3.42Å; L219-L223 PolarHBondContact O-N 3.3Å |
| 220 | E | 97.4 | Very high | 97.6 | Very high | 131 Ų | 131 | 62.3 Ų | 62.3 | 61% | 0.612 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -53.4 | -49.1 | 175.6 | -73.4 | 172 | -166 | 0 | 0 | 112 | Q216 V218 V222 L223 V224 | Q216-E220 PolarHBondContact O-N 3.48Å; V218-E220 VanDerWaalsContact C-N 3.31Å; V218-E220 PolarHBondContact O-N 2.91Å; E220-V222 VanDerWaalsContact C-N 3.35Å; E220-V222 PolarHBondContact O-N 3.23Å; E220-L223 PolarHBondContact O-N 3.22Å; E220-V224 PolarHBondContact O-N 3.23Å |
| 221 | A | 97.6 | Very high | 97.5 | Very high | 49 Ų | 49 | 56.5 Ų | 56.5 | 41% | 0.405 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V218 L219 L223 V224 Q225 | V218-A221 PolarHBondContact O-N 2.8Å; L219-A221 VanDerWaalsContact C-N 3.33Å; L219-A221 PolarHBondContact O-N 3.29Å; A221-L223 VanDerWaalsContact C-N 3.34Å; A221-L223 PolarHBondContact O-N 2.95Å; A221-V224 PolarHBondContact O-N 3.46Å; A221-Q225 VanDerWaalsContact O-CG 3.31Å; A221-Q225 WeakPolarHBondContact O-CG 3.22Å; A221-Q225 PolarHBondContact O-N 3.43Å |
| 222 | V | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.012 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 175.8 | 167.3 | 0 | 0 | 0 | 0 | 111.7 | L158 G159 I161 V192 V218 L219 E220 S226 | L158-V222 HydrophobicContact CD1-CG2 4.3Å; G159-V222 VanDerWaalsContact CA-CG2 3.45Å; I161-V222 HydrophobicContact CG2-CG1 3.8Å; V192-V222 HydrophobicContact CG1-CG1 3.59Å; V218-V222 HydrophobicContact CG1-CG2 4.45Å; V218-V222 WeakPolarHBondContact O-CG2 3.43Å; V218-V222 PolarHBondContact O-N 2.94Å; V218-V222 VanDerWaalsContact O-N 3.1Å; L219-V222 HydrophobicContact CD1-CB 4.3Å; L219-V222 HydrophobicContact CD1-CG1 4.2Å; L219-V222 CarbonylContact O-C 3.54Å; L219-V222 WeakPolarHBondContact O-CA 3.21Å; L219-V222 WeakPolarHBondContact O-CB 3.44Å; L219-V222 PolarHBondContact O-N 3.44Å; E220-V222 VanDerWaalsContact C-N 3.35Å; E220-V222 PolarHBondContact O-N 3.23Å; V222-S226 WeakPolarHBondContact O-CB 3.41Å; V222-S226 PolarHBondContact O-N 3.43Å; V222-S226 PolarHBondContact O-OG 3.25Å |
| 223 | L | 98.6 | Very high | 96.9 | Very high | 37 Ų | 37 | 57.3 Ų | 57.3 | 19% | 0.194 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 178.3 | -68.4 | 177.5 | 0 | 0 | 0 | 110.6 | A82 V83 A86 L219 E220 A221 S226 V227 | A82-L223 HydrophobicContact CB-CD2 4.18Å; V83-L223 HydrophobicContact CB-CD2 4.38Å; V83-L223 HydrophobicContact CG2-CD2 3.71Å; A86-L223 HydrophobicContact CB-CB 4.12Å; L219-L223 HydrophobicContact CD1-CD2 4.39Å; L219-L223 HydrophobicContact CD1-CG 4.34Å; L219-L223 HydrophobicContact CG-CD1 4.39Å; L219-L223 HydrophobicContact CG-CG 4.2Å; L219-L223 WeakPolarHBondContact O-CG 3.42Å; L219-L223 PolarHBondContact O-N 3.3Å; E220-L223 PolarHBondContact O-N 3.22Å; A221-L223 VanDerWaalsContact C-N 3.34Å; A221-L223 PolarHBondContact O-N 2.95Å; L223-S226 WeakPolarHBondContact O-CB 3.49Å; L223-S226 PolarHBondContact O-N 3.21Å; L223-V227 VanDerWaalsContact O-CG2 3.28Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 2.65Å |
| 224 | V | 98.3 | Very high | 96.6 | Very high | 70 Ų | 70 | 52.7 Ų | 52.7 | 42% | 0.424 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.2 | -53 | 176.6 | 174.5 | 0 | 0 | 0 | 0 | 111 | E220 A221 S226 V227 D228 | E220-V224 PolarHBondContact O-N 3.23Å; A221-V224 PolarHBondContact O-N 3.46Å; V224-S226 VanDerWaalsContact C-N 3.27Å; V224-S226 PolarHBondContact O-N 2.92Å; V224-V227 PolarHBondContact O-N 2.8Å; V224-V227 VanDerWaalsContact O-N 3.13Å; V224-D228 PolarHBondContact O-N 3.04Å |
| 225 | Q | 98.3 | Very high | 96 | Very high | 93 Ų | 93 | 48.5 Ų | 48.5 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 179.8 | -68.1 | 174 | 12.3 | 0 | 0 | 112.3 | I161 A221 D228 L229 | I161-Q225 HydrophobicContact CD1-CB 3.54Å; A221-Q225 VanDerWaalsContact O-CG 3.31Å; A221-Q225 WeakPolarHBondContact O-CG 3.22Å; A221-Q225 PolarHBondContact O-N 3.43Å; Q225-D228 PolarHBondContact O-N 3.03Å; Q225-L229 WeakPolarHBondContact O-CG 3.42Å; Q225-L229 PolarHBondContact O-N 3.09Å |
| 226 | S | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 175.9 | -66.7 | 0 | 0 | 0 | 0 | 111.1 | V222 L223 V224 L229 L230 | V222-S226 WeakPolarHBondContact O-CB 3.41Å; V222-S226 PolarHBondContact O-N 3.43Å; V222-S226 PolarHBondContact O-OG 3.25Å; L223-S226 WeakPolarHBondContact O-CB 3.49Å; L223-S226 PolarHBondContact O-N 3.21Å; V224-S226 VanDerWaalsContact C-N 3.27Å; V224-S226 PolarHBondContact O-N 2.92Å; S226-L229 PolarHBondContact O-N 3.43Å; S226-L230 VanDerWaalsContact O-CG 3.26Å; S226-L230 WeakPolarHBondContact O-CG 3.31Å; S226-L230 PolarHBondContact O-N 3.22Å |
| 227 | V | 98.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 177.5 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | A86 L87 R90 L223 V224 L229 L230 I231 | A86-V227 HydrophobicContact CB-CG2 3.62Å; L87-V227 HydrophobicContact CB-CG2 4.13Å; L87-V227 HydrophobicContact CD1-CG1 4.07Å; R90-V227 HydrophobicContact CB-CG1 3.7Å; R90-V227 HydrophobicContact CG-CG1 3.71Å; L223-V227 VanDerWaalsContact O-CG2 3.28Å; L223-V227 WeakPolarHBondContact O-CG2 3.47Å; L223-V227 PolarHBondContact O-N 2.65Å; V224-V227 PolarHBondContact O-N 2.8Å; V224-V227 VanDerWaalsContact O-N 3.13Å; V227-L229 VanDerWaalsContact C-N 3.32Å; V227-L229 PolarHBondContact O-N 3.44Å; V227-L230 PolarHBondContact O-N 3.36Å; V227-I231 HydrophobicContact CG1-CD1 3.79Å; V227-I231 HydrophobicContact CG1-CG1 4.41Å; V227-I231 WeakPolarHBondContact O-CG1 3.29Å; V227-I231 PolarHBondContact O-N 3.35Å |
| 228 | D | 96.9 | Very high | 91.4 | Very high | 74 Ų | 74 | 53.2 Ų | 53.2 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 179.1 | -62.6 | -25.8 | 0 | 0 | 0 | 111.2 | R90 V224 Q225 S232 | R90-D228 IonicContact CZ-OD1 3.84Å; R90-D228 IonicContact NH1-OD1 3.59Å; R90-D228 PolarHBondContact NH1-OD1 3.27Å; R90-D228 IonicContact NH2-OD1 2.59Å; V224-D228 PolarHBondContact O-N 3.04Å; Q225-D228 PolarHBondContact O-N 3.03Å; D228-S232 WeakPolarHBondContact O-CB 3.23Å; D228-S232 PolarHBondContact O-N 3.35Å |
| 229 | L | 96.9 | Very high | 88.7 | Confident | 62 Ų | 62 | 54.9 Ų | 54.9 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 172.8 | -74.9 | -177.7 | 0 | 0 | 0 | 112.7 | I161 L190 Q225 S226 V227 S232 Q233 | I161-L229 HydrophobicContact CD1-CD1 3.45Å; I161-L229 VanDerWaalsContact CD1-CD1 3.45Å; I161-L229 HydrophobicContact CD1-CG 4.3Å; I161-L229 HydrophobicContact CG1-CD1 3.77Å; L190-L229 HydrophobicContact CD1-CD1 4.11Å; Q225-L229 WeakPolarHBondContact O-CG 3.42Å; Q225-L229 PolarHBondContact O-N 3.09Å; S226-L229 PolarHBondContact O-N 3.43Å; V227-L229 VanDerWaalsContact C-N 3.32Å; V227-L229 PolarHBondContact O-N 3.44Å; L229-S232 PolarHBondContact O-N 2.78Å; L229-Q233 VanDerWaalsContact O-CG 3.3Å; L229-Q233 WeakPolarHBondContact O-CG 3.26Å; L229-Q233 PolarHBondContact O-N 3.26Å |
| 230 | L | 96.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 178.6 | -70.1 | 177.4 | 0 | 0 | 0 | 111 | V64 V83 L87 L148 V150 L190 S226 V227 S232 Q233 L234 | V64-L230 HydrophobicContact CG1-CD1 4.39Å; V64-L230 HydrophobicContact CG1-CD2 4.33Å; V83-L230 HydrophobicContact CG1-CD1 3.58Å; L87-L230 HydrophobicContact CD1-CB 4.47Å; L87-L230 HydrophobicContact CD2-CB 4.28Å; L87-L230 HydrophobicContact CD2-CD1 3.91Å; L148-L230 HydrophobicContact CD2-CD2 3.32Å; L148-L230 HydrophobicContact CG-CD2 3.97Å; V150-L230 HydrophobicContact CG2-CD1 4.15Å; V150-L230 HydrophobicContact CG2-CD2 4.11Å; L190-L230 HydrophobicContact CB-CD2 4.19Å; L190-L230 HydrophobicContact CD2-CD1 4.13Å; L190-L230 HydrophobicContact CD2-CD2 3.78Å; L190-L230 HydrophobicContact CD2-CG 3.78Å; S226-L230 VanDerWaalsContact O-CG 3.26Å; S226-L230 WeakPolarHBondContact O-CG 3.31Å; S226-L230 PolarHBondContact O-N 3.22Å; V227-L230 PolarHBondContact O-N 3.36Å; L230-S232 VanDerWaalsContact C-N 3.35Å; L230-S232 PolarHBondContact O-N 3.27Å; L230-Q233 PolarHBondContact O-N 2.66Å; L230-L234 VanDerWaalsContact O-CG 3.25Å; L230-L234 WeakPolarHBondContact O-CG 3.5Å; L230-L234 PolarHBondContact O-N 2.77Å |
| 231 | I | 94.8 | Very high | 83.2 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 175.3 | -69.5 | 170.4 | 0 | 0 | 0 | 109.8 | L87 R90 V227 Q233 L234 S235 | L87-I231 HydrophobicContact CD1-CD1 4.4Å; L87-I231 HydrophobicContact CD1-CG1 3.91Å; R90-I231 HydrophobicContact CG-CD1 3.88Å; V227-I231 HydrophobicContact CG1-CD1 3.79Å; V227-I231 HydrophobicContact CG1-CG1 4.41Å; V227-I231 WeakPolarHBondContact O-CG1 3.29Å; V227-I231 PolarHBondContact O-N 3.35Å; I231-Q233 VanDerWaalsContact C-N 3.3Å; I231-Q233 PolarHBondContact O-N 2.78Å; I231-L234 PolarHBondContact O-N 3.13Å; I231-L234 VanDerWaalsContact O-N 3.11Å; I231-S235 WeakPolarHBondContact O-CB 3.47Å; I231-S235 PolarHBondContact O-N 3.26Å; I231-S235 PolarHBondContact O-OG 3.17Å |
| 232 | S | 92.9 | Very high | 80.3 | Confident | 53 Ų | 53 | 62.8 Ų | 62.8 | 37% | 0.371 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.6 | -42.7 | 176.3 | -177.8 | 0 | 0 | 0 | 0 | 112.6 | D228 L229 L230 S235 Q236 | D228-S232 WeakPolarHBondContact O-CB 3.23Å; D228-S232 PolarHBondContact O-N 3.35Å; L229-S232 PolarHBondContact O-N 2.78Å; L230-S232 VanDerWaalsContact C-N 3.35Å; L230-S232 PolarHBondContact O-N 3.27Å; S232-S235 PolarHBondContact O-N 3.32Å; S232-Q236 WeakPolarHBondContact O-CG 3.26Å; S232-Q236 PolarHBondContact O-N 2.79Å |
| 233 | Q | 91.6 | Very high | 77.4 | Confident | 41 Ų | 41 | 66.6 Ų | 66.6 | 19% | 0.192 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.6 | -36.1 | 176.9 | -71.1 | -63.6 | -75.6 | 0 | 0 | 113.1 | L148 I163 L229 L230 I231 S235 | L148-Q233 HydrophobicContact CD2-CB 4.22Å; I163-Q233 HydrophobicContact CD1-CG 4.13Å; I163-Q233 HydrophobicContact CG1-CG 4.33Å; L229-Q233 VanDerWaalsContact O-CG 3.3Å; L229-Q233 WeakPolarHBondContact O-CG 3.26Å; L229-Q233 PolarHBondContact O-N 3.26Å; L230-Q233 PolarHBondContact O-N 2.66Å; I231-Q233 VanDerWaalsContact C-N 3.3Å; I231-Q233 PolarHBondContact O-N 2.78Å; Q233-S235 VanDerWaalsContact C-N 3.31Å |
| 234 | L | 90.4 | Very high | 74.3 | Confident | 5 Ų | 5 | 70.2 Ų | 70.2 | 3% | 0.026 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -71 | -30.1 | 175.6 | -67 | 171.5 | 0 | 0 | 0 | 111.9 | K62 V64 V112 V117 L230 I231 | K62-L234 HydrophobicContact CB-CD2 3.78Å; K62-L234 HydrophobicContact CG-CD2 3.92Å; V64-L234 HydrophobicContact CG2-CD1 4.32Å; V64-L234 HydrophobicContact CG2-CD2 3.88Å; V112-L234 HydrophobicContact CB-CB 4.47Å; V112-L234 HydrophobicContact CG1-CB 4.07Å; V112-L234 HydrophobicContact CG1-CD1 4.49Å; V112-L234 HydrophobicContact CG2-CD1 4.28Å; V117-L234 HydrophobicContact CG1-CD1 4.3Å; V117-L234 HydrophobicContact CG1-CD2 4.33Å; V117-L234 HydrophobicContact CG2-CD1 4.28Å; V117-L234 HydrophobicContact CG2-CD2 3.99Å; L230-L234 VanDerWaalsContact O-CG 3.25Å; L230-L234 WeakPolarHBondContact O-CG 3.5Å; L230-L234 PolarHBondContact O-N 2.77Å; I231-L234 PolarHBondContact O-N 3.13Å; I231-L234 VanDerWaalsContact O-N 3.11Å |
| 235 | S | 84.1 | Confident | 71.6 | Confident | 34 Ų | 34 | 72.7 Ų | 72.7 | 24% | 0.238 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -79.4 | -25.8 | 178.3 | -67.9 | 0 | 0 | 0 | 0 | 114.8 | Q113 I231 S232 Q233 Q237 | Q113-S235 PolarHBondContact NE2-OG 3.02Å; Q113-S235 PolarHBondContact OE1-OG 3.46Å; I231-S235 WeakPolarHBondContact O-CB 3.47Å; I231-S235 PolarHBondContact O-N 3.26Å; I231-S235 PolarHBondContact O-OG 3.17Å; S232-S235 PolarHBondContact O-N 3.32Å; Q233-S235 VanDerWaalsContact C-N 3.31Å; S235-Q237 PolarHBondContact O-N 3.35Å |
| 236 | Q | 76.7 | Confident | 68.8 | Low | 98 Ų | 98 | 73.4 Ų | 73.4 | 46% | 0.458 | 46% | 0.459 | S | S | . | . | trans | -63.5 | 120.6 | -178.8 | -79.8 | 172.2 | 12 | 0 | 0 | 110.3 | R60 S232 | R60-Q236 VanDerWaalsContact CZ-O 3.29Å; R60-Q236 PolarHBondContact NH1-O 3.12Å; R60-Q236 PolarHBondContact NH2-O 2.91Å; S232-Q236 WeakPolarHBondContact O-CG 3.26Å; S232-Q236 PolarHBondContact O-N 2.79Å | ||
| 237 | Q | 58.7 | Low | 65.9 | Low | 160 Ų | 160 | 76.8 Ų | 76.8 | 75% | 0.748 | 49% | 0.493 | S | S | * | . | trans | -61.2 | 150.7 | 163.4 | -70.3 | -174.8 | -17 | 0 | 0 | 109 | S235 A239 | S235-Q237 PolarHBondContact O-N 3.35Å; Q237-A239 PolarHBondContact O-N 3.36Å | ||
| 238 | D | 57.5 | Low | 63 | Low | 92 Ų | 92 | 79 Ų | 79 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | trans | -65.4 | 69.9 | -176.9 | -63.4 | -50.7 | 0 | 0 | 0 | 111.4 | R60 Q240 | R60-D238 IonicContact CZ-OD1 3.86Å; R60-D238 IonicContact CZ-OD2 2.86Å; R60-D238 VanDerWaalsContact CZ-OD2 3.32Å; R60-D238 IonicContact NE-OD1 3.01Å; R60-D238 IonicContact NE-OD2 3.84Å; R60-D238 PolarHBondContact NE-OD2 3.49Å; R60-D238 IonicContact NH2-OD1 2.98Å; R60-D238 PolarHBondContact NH2-OD1 3.48Å; R60-D238 IonicContact NH2-OD2 3.81Å; R60-D238 PolarHBondContact NH2-OD2 3.39Å; D238-Q240 PolarHBondContact O-N 3.47Å; D238-Q240 VanDerWaalsContact O-N 3.16Å | ||
| 239 | A | 42.3 | Very low | 60.2 | Low | 100 Ų | 100 | 86.7 Ų | 86.7 | 83% | 0.826 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 10.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q237 | Q237-A239 PolarHBondContact O-N 3.36Š|
| 240 | Q | 42.4 | Very low | 57.3 | Low | 137 Ų | 137 | 95.2 Ų | 95.2 | 64% | 0.64 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | 27.5 | -174.8 | -69.5 | -172.7 | -5.1 | 0 | 0 | 114 | D238 A242 | D238-Q240 PolarHBondContact O-N 3.47Å; D238-Q240 VanDerWaalsContact O-N 3.16Å; Q240-A242 PolarHBondContact O-N 3.1Å |
| 241 | S | 37.9 | Very low | 54.6 | Low | 114 Ų | 114 | 99.3 Ų | 99.3 | 80% | 0.797 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | 4.5 | 165.2 | 52 | 0 | 0 | 0 | 0 | 113.7 | ||
| 242 | A | 35.3 | Very low | 51.8 | Low | 101 Ų | 101 | 102.2 Ų | 102.2 | 84% | 0.835 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.4 | 24.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q240 | Q240-A242 PolarHBondContact O-N 3.1Š|
| 243 | S | 37.3 | Very low | 48.9 | Very low | 83 Ų | 83 | 108.1 Ų | 108.1 | 58% | 0.58 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -125.7 | 107 | 162.4 | 67.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 244 | S | 34.8 | Very low | 46.2 | Very low | 112 Ų | 112 | 115.4 Ų | 115.4 | 78% | 0.783 | 69% | 0.687 | S | S | * | * | trans | -35.1 | 134.9 | 176.9 | -59.6 | 0 | 0 | 0 | 0 | 113.6 | A246 | S244-A246 PolarHBondContact O-N 3.26Å; S244-A246 VanDerWaalsContact O-N 3.1Å | ||
| 245 | P | 40.8 | Very low | 43.4 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | trans | -69 | 115.9 | 176.2 | 26.8 | -29.8 | 0 | 0 | 0 | 109.3 | G247 | P245-G247 VanDerWaalsContact C-N 3.33Å; P245-G247 PolarHBondContact O-N 3.01Å | ||
| 246 | A | 39.2 | Very low | 41.1 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -61.1 | 97.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | S244 | S244-A246 PolarHBondContact O-N 3.26Å; S244-A246 VanDerWaalsContact O-N 3.1Å |
| 247 | G | 38.8 | Very low | 39.1 | Very low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | 76.4 | 43.1 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | P245 R249 | P245-G247 VanDerWaalsContact C-N 3.33Å; P245-G247 PolarHBondContact O-N 3.01Å; G247-R249 PolarHBondContact O-N 3.43Å | ||
| 248 | G | 37.2 | Very low | 38 | Very low | 49 Ų | 49 | 140.7 Ų | 140.7 | 51% | 0.505 | 79% | 0.786 | S | S | . | * | trans | -77.1 | 97.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | R250 | G248-R250 PolarHBondContact O-N 3.06Š| ||
| 249 | R | 38.8 | Very low | 37 | Very low | 235 Ų | 235 | 145.7 Ų | 145.7 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | -72.2 | 120.7 | 175.1 | -74.1 | -176.6 | -173 | 169.2 | 2.4 | 109.5 | G247 A251 | G247-R249 PolarHBondContact O-N 3.43Å; R249-A251 PolarHBondContact O-N 3.24Å | ||
| 250 | R | 35.7 | Very low | 36.7 | Very low | 242 Ų | 242 | 148 Ų | 148 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -52.9 | 131 | 162 | -68.5 | -177.5 | 176.8 | -168.8 | -1.5 | 108.5 | G248 A252 | G248-R250 PolarHBondContact O-N 3.06Å; R250-A252 PolarHBondContact O-N 3.24Å | ||
| 251 | A | 38.5 | Very low | 36.4 | Very low | 86 Ų | 86 | 146.9 Ų | 146.9 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | -59.2 | 110.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | R249 Q253 | R249-A251 PolarHBondContact O-N 3.24Å; A251-Q253 PolarHBondContact O-N 2.84Å | ||
| 252 | A | 37.8 | Very low | 36.4 | Very low | 102 Ų | 102 | 147.2 Ų | 147.2 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -66.1 | 122.1 | -174 | 0 | 0 | 0 | 0 | 0 | 111.7 | R250 | R250-A252 PolarHBondContact O-N 3.24Š| ||
| 253 | Q | 32 | Very low | 36.8 | Very low | 177 Ų | 177 | 147.4 Ų | 147.4 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -79 | 121.5 | 164.5 | -73.1 | 175.5 | -8.5 | 0 | 0 | 108.8 | A251 R255 | A251-Q253 PolarHBondContact O-N 2.84Å; Q253-R255 PolarHBondContact O-N 3.12Å | ||
| 254 | H | 33.2 | Very low | 37 | Very low | 195 Ų | 195 | 149.6 Ų | 149.6 | 90% | 0.903 | 82% | 0.82 | S | S | * | * | trans | -79.9 | 109.9 | 177.3 | -151 | 54.6 | 0 | 0 | 0 | 108.9 | ||||
| 255 | R | 33.3 | Very low | 37.5 | Very low | 232 Ų | 232 | 155.5 Ų | 155.5 | 88% | 0.875 | 84% | 0.841 | S | S | * | * | trans | -100.7 | 115.6 | 169.3 | -128 | -173.9 | -91 | -154.1 | -2.5 | 107.6 | Q253 | Q253-R255 PolarHBondContact O-N 3.12Š| ||
| 256 | K | 33.9 | Very low | 37.3 | Very low | 201 Ų | 201 | 157.2 Ų | 157.2 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 123 | 175 | -144.7 | 179.2 | -176.7 | -169.8 | 0 | 107.4 | ||
| 257 | K | 35.4 | Very low | 37.2 | Very low | 200 Ų | 200 | 159.7 Ų | 159.7 | 87% | 0.87 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 131 | 166.4 | -96.5 | -175 | 172.3 | -173.4 | 0 | 108 | ||
| 258 | E | 36.2 | Very low | 37.2 | Very low | 195 Ų | 195 | 164.7 Ų | 164.7 | 91% | 0.911 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 133.3 | 162.6 | -75.8 | 164.3 | 149.4 | 0 | 0 | 108.6 | ||
| 259 | E | 35.8 | Very low | 37.2 | Very low | 197 Ų | 197 | 171.5 Ų | 171.5 | 92% | 0.921 | 87% | 0.866 | S | S | * | * | trans | -91.8 | 115.8 | 166.9 | -81.3 | 175.1 | 163.5 | 0 | 0 | 107.5 | ||||
| 260 | D | 35.7 | Very low | 37.1 | Very low | 147 Ų | 147 | 167.5 Ų | 167.5 | 79% | 0.786 | 87% | 0.865 | S | S | * | * | trans | -85.7 | 118.8 | 168.6 | -158.7 | 1 | 0 | 0 | 0 | 107.8 | ||||
| 261 | S | 37.1 | Very low | 37.1 | Very low | 114 Ų | 114 | 162.5 Ų | 162.5 | 80% | 0.797 | 86% | 0.862 | S | S | * | * | trans | -93 | 98.9 | 178 | 59.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 262 | T | 38.7 | Very low | 37 | Very low | 121 Ų | 121 | 168 Ų | 168 | 74% | 0.742 | 87% | 0.872 | S | S | * | * | trans | -122.1 | 102.6 | 160.3 | -6.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 263 | A | 43.1 | Very low | 37 | Very low | 105 Ų | 105 | 173.1 Ų | 173.1 | 87% | 0.868 | 88% | 0.875 | S | S | * | * | trans | -115 | 106.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 264 | V | 41.7 | Very low | 37.4 | Very low | 129 Ų | 129 | 172.8 Ų | 172.8 | 78% | 0.782 | 88% | 0.879 | S | S | * | * | trans | -92.3 | 122.9 | 162 | 177.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 265 | I | 44.9 | Very low | 37.8 | Very low | 237 Ų | 237 | 170.7 Ų | 170.7 | 100% | 1.215 | 88% | 0.876 | S | S | * | * | trans | 157 | 0 | 139 | -74.4 | 165.2 | 0 | 0 | 0 | 106.7 |
Retrieved 265 of 265 residues in 452 ms
(Link to these results)