| 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 | 29 | Very low | 34.7 | Very low | 239 Ų | 239 | 149.7 Ų | 149.7 | 100% | 1.177 | 77% | 0.768 | S | S | * | * | 0 | 165.6 | 0 | -78.4 | -168 | -81.9 | 0 | 0 | 109.2 | |||||
| 2 | L | 27.3 | Very low | 35.7 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | 66.7 | 117.7 | 170.3 | -63 | 169.6 | 0 | 0 | 0 | 118.3 | ||||
| 3 | I | 30 | Very low | 36.8 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | trans | 60.4 | 101 | 139.3 | -53.4 | 170.1 | 0 | 0 | 0 | 115.7 | ||||
| 4 | S | 31.2 | Very low | 37.9 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | 59.9 | 71.1 | 52.5 | -161.6 | 0 | 0 | 0 | 0 | 115 | |||||
| 5 | N | 32.3 | Very low | 38.8 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | trans | -149.8 | 151.2 | 147.3 | -137.9 | -40.6 | 0 | 0 | 0 | 113.6 | N7 | N5-N7 PolarHBondContact O-N 3.46Š| ||
| 6 | K | 34.6 | Very low | 39.9 | Very low | 194 Ų | 194 | 133.6 Ų | 133.6 | 84% | 0.843 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -8 | -162.6 | -71.6 | 179.2 | 176.6 | 175 | 0 | 115.3 | C8 | K6-C8 PolarHBondContact O-N 3.25Š|
| 7 | N | 38 | Very low | 41.1 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -17.9 | -168.7 | -64.8 | -5.2 | 0 | 0 | 0 | 114.4 | N5 K9 L10 | N5-N7 PolarHBondContact O-N 3.46Å; N7-K9 PolarHBondContact O-N 2.73Å; N7-K9 VanDerWaalsContact O-N 3.14Å; N7-L10 PolarHBondContact O-N 3.22Å |
| 8 | C | 36 | Very low | 42.2 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 57% | 0.568 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.4 | -13.5 | -179.6 | -72 | 0 | 0 | 0 | 0 | 114.4 | K6 L10 F11 V12 | K6-C8 PolarHBondContact O-N 3.25Å; C8-L10 VanDerWaalsContact C-N 3.33Å; C8-L10 PolarHBondContact O-N 2.89Å; C8-F11 PolarHBondContact O-N 2.93Å; C8-V12 HydrophobicContact CB-CG2 4.3Å; C8-V12 WeakPolarHBondContact O-CB 3.49Å; C8-V12 VanDerWaalsContact O-CG2 3.25Å; C8-V12 WeakPolarHBondContact O-CG2 3.38Å; C8-V12 PolarHBondContact O-N 3.12Å |
| 9 | K | 34.1 | Very low | 42.9 | Very low | 177 Ų | 177 | 127.5 Ų | 127.5 | 77% | 0.77 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -64.3 | -35.4 | 175.8 | -82 | -163.7 | 173.8 | -172.3 | 0 | 113 | N7 C13 | N7-K9 PolarHBondContact O-N 2.73Å; N7-K9 VanDerWaalsContact O-N 3.14Å; K9-C13 VanDerWaalsContact O-CB 3.23Å; K9-C13 WeakPolarHBondContact O-CB 3.49Å; K9-C13 PolarHBondContact O-N 3.35Å; K9-C13 PolarHBondContact O-SG 2.75Å |
| 10 | L | 44 | Very low | 43.8 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 69% | 0.691 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -76.6 | -41.5 | 175.7 | -133.9 | 76.2 | 0 | 0 | 0 | 111.6 | N7 C8 C13 Y14 | N7-L10 PolarHBondContact O-N 3.22Å; C8-L10 VanDerWaalsContact C-N 3.33Å; C8-L10 PolarHBondContact O-N 2.89Å; L10-C13 PolarHBondContact O-N 2.94Å; L10-Y14 WeakPolarHBondContact O-CB 3.02Å; L10-Y14 PolarHBondContact O-N 2.85Å |
| 11 | F | 44.9 | Very low | 44.2 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 63% | 0.627 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.9 | -36.7 | 179.7 | -158.3 | -97.7 | 0 | 0 | 0 | 112.7 | C8 Y14 L15 | C8-F11 PolarHBondContact O-N 2.93Å; F11-Y14 PolarHBondContact O-N 3.11Å; F11-L15 HydrophobicContact CE1-CD1 4.09Å; F11-L15 WeakPolarHBondContact O-CB 3.19Å; F11-L15 PolarHBondContact O-N 3.48Å |
| 12 | V | 47.5 | Very low | 45.5 | Very low | 71 Ų | 71 | 120 Ų | 120 | 43% | 0.43 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -73.6 | -34.9 | 173.5 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | C8 Y14 L15 I16 | C8-V12 HydrophobicContact CB-CG2 4.3Å; C8-V12 WeakPolarHBondContact O-CB 3.49Å; C8-V12 VanDerWaalsContact O-CG2 3.25Å; C8-V12 WeakPolarHBondContact O-CG2 3.38Å; C8-V12 PolarHBondContact O-N 3.12Å; V12-Y14 VanDerWaalsContact C-N 3.34Å; V12-L15 PolarHBondContact O-N 2.76Å; V12-I16 HydrophobicContact CG1-CD1 3.59Å; V12-I16 HydrophobicContact CG1-CG1 4.1Å; V12-I16 WeakPolarHBondContact O-CB 3.03Å; V12-I16 VanDerWaalsContact O-CG1 3.24Å; V12-I16 WeakPolarHBondContact O-CG1 3.31Å; V12-I16 PolarHBondContact O-N 2.81Å |
| 13 | C | 49.3 | Very low | 46.6 | Very low | 75 Ų | 75 | 116.9 Ų | 116.9 | 51% | 0.507 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.9 | -36.1 | 168.8 | -76.8 | 0 | 0 | 0 | 0 | 112.2 | K9 L10 T17 | K9-C13 VanDerWaalsContact O-CB 3.23Å; K9-C13 WeakPolarHBondContact O-CB 3.49Å; K9-C13 PolarHBondContact O-N 3.35Å; K9-C13 PolarHBondContact O-SG 2.75Å; L10-C13 PolarHBondContact O-N 2.94Å; C13-T17 WeakPolarHBondContact O-CB 3.36Å; C13-T17 PolarHBondContact O-N 2.84Å; C13-T17 PolarHBondContact O-OG1 3.11Å |
| 14 | Y | 52 | Low | 47.4 | Very low | 169 Ų | 169 | 114.7 Ų | 114.7 | 66% | 0.663 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.6 | -42.5 | 171.8 | -103 | -87.9 | 0 | 0 | 0 | 111.9 | L10 F11 V12 T17 F18 | L10-Y14 WeakPolarHBondContact O-CB 3.02Å; L10-Y14 PolarHBondContact O-N 2.85Å; F11-Y14 PolarHBondContact O-N 3.11Å; V12-Y14 VanDerWaalsContact C-N 3.34Å; Y14-T17 PolarHBondContact O-N 3.21Å; Y14-F18 WeakPolarHBondContact O-CA 3.29Å; Y14-F18 WeakPolarHBondContact O-CB 3.5Å; Y14-F18 PolarHBondContact O-N 3.48Å |
| 15 | L | 52.1 | Low | 47.9 | Very low | 89 Ų | 89 | 114.9 Ų | 114.9 | 47% | 0.466 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.9 | -35.2 | 177.8 | -144.5 | 80.6 | 0 | 0 | 0 | 111.6 | F11 V12 L19 | F11-L15 HydrophobicContact CE1-CD1 4.09Å; F11-L15 WeakPolarHBondContact O-CB 3.19Å; F11-L15 PolarHBondContact O-N 3.48Å; V12-L15 PolarHBondContact O-N 2.76Å; L15-L19 HydrophobicContact CD2-CD1 4.46Å; L15-L19 HydrophobicContact CG-CD1 4.38Å; L15-L19 WeakPolarHBondContact O-CA 3.35Å; L15-L19 WeakPolarHBondContact O-CB 3.3Å; L15-L19 WeakPolarHBondContact O-CD1 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.32Å; L15-L19 PolarHBondContact O-N 2.96Å |
| 16 | I | 57 | Low | 48.4 | Very low | 87 Ų | 87 | 112.8 Ų | 112.8 | 45% | 0.446 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -74.2 | -37.8 | 173.6 | -70.2 | 174.3 | 0 | 0 | 0 | 110.9 | V12 L19 I20 | V12-I16 HydrophobicContact CG1-CD1 3.59Å; V12-I16 HydrophobicContact CG1-CG1 4.1Å; V12-I16 WeakPolarHBondContact O-CB 3.03Å; V12-I16 VanDerWaalsContact O-CG1 3.24Å; V12-I16 WeakPolarHBondContact O-CG1 3.31Å; V12-I16 PolarHBondContact O-N 2.81Å; I16-L19 PolarHBondContact O-N 2.91Å; I16-I20 HydrophobicContact CG2-CD1 3.65Å; I16-I20 HydrophobicContact CG2-CG1 4.27Å; I16-I20 WeakPolarHBondContact O-CB 3.5Å; I16-I20 WeakPolarHBondContact O-CG1 3.35Å; I16-I20 PolarHBondContact O-N 3.01Å |
| 17 | T | 59.6 | Low | 48.5 | Very low | 73 Ų | 73 | 109.9 Ų | 109.9 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.3 | -34.7 | 174.8 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | C13 Y14 K21 | C13-T17 WeakPolarHBondContact O-CB 3.36Å; C13-T17 PolarHBondContact O-N 2.84Å; C13-T17 PolarHBondContact O-OG1 3.11Å; Y14-T17 PolarHBondContact O-N 3.21Å; T17-K21 VanDerWaalsContact O-CB 3.32Å; T17-K21 WeakPolarHBondContact O-CB 3.42Å; T17-K21 WeakPolarHBondContact O-CG 3.49Å; T17-K21 PolarHBondContact O-N 3.47Å |
| 18 | F | 60.4 | Low | 48.1 | Very low | 134 Ų | 134 | 111.9 Ų | 111.9 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72 | -41.5 | 173.3 | -166.1 | -89.3 | 0 | 0 | 0 | 110.6 | Y14 K21 F22 | Y14-F18 WeakPolarHBondContact O-CA 3.29Å; Y14-F18 WeakPolarHBondContact O-CB 3.5Å; Y14-F18 PolarHBondContact O-N 3.48Å; F18-K21 CarbonylContact O-C 3.53Å; F18-K21 PolarHBondContact O-N 3.41Å; F18-F22 HydrophobicContact CD1-CB 4.39Å; F18-F22 HydrophobicContact CE1-CB 4.46Å; F18-F22 HydrophobicContact CE1-CD2 4.37Å; F18-F22 HydrophobicContact CE1-CG 4.5Å; F18-F22 WeakPolarHBondContact O-CA 3.49Å; F18-F22 WeakPolarHBondContact O-CB 3.33Å; F18-F22 PolarHBondContact O-N 2.89Å |
| 19 | L | 56.1 | Low | 47.8 | Very low | 78 Ų | 78 | 112.8 Ų | 112.8 | 41% | 0.408 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.7 | -36.8 | 172.6 | -78 | 165 | 0 | 0 | 0 | 112.2 | L15 I16 F22 L23 | L15-L19 HydrophobicContact CD2-CD1 4.46Å; L15-L19 HydrophobicContact CG-CD1 4.38Å; L15-L19 WeakPolarHBondContact O-CA 3.35Å; L15-L19 WeakPolarHBondContact O-CB 3.3Å; L15-L19 WeakPolarHBondContact O-CD1 3.25Å; L15-L19 WeakPolarHBondContact O-CG 3.32Å; L15-L19 PolarHBondContact O-N 2.96Å; I16-L19 PolarHBondContact O-N 2.91Å; L19-F22 PolarHBondContact O-N 3.32Å; L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 WeakPolarHBondContact O-CD1 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.5Å; L19-L23 PolarHBondContact O-N 3.18Å |
| 20 | I | 60.1 | Low | 47.9 | Very low | 93 Ų | 93 | 107.8 Ų | 107.8 | 48% | 0.477 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.1 | -42.2 | 172.1 | -73.3 | 168 | 0 | 0 | 0 | 109.8 | I16 N24 | I16-I20 HydrophobicContact CG2-CD1 3.65Å; I16-I20 HydrophobicContact CG2-CG1 4.27Å; I16-I20 WeakPolarHBondContact O-CB 3.5Å; I16-I20 WeakPolarHBondContact O-CG1 3.35Å; I16-I20 PolarHBondContact O-N 3.01Å; I20-N24 WeakPolarHBondContact O-CB 3.16Å; I20-N24 PolarHBondContact O-N 2.91Å; I20-N24 PolarHBondContact O-ND2 3.46Å |
| 21 | K | 53.3 | Low | 47.4 | Very low | 135 Ų | 135 | 106.1 Ų | 106.1 | 59% | 0.587 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.8 | -39.4 | 173.4 | -78.2 | -176.8 | 175 | -174.6 | 0 | 112.7 | T17 F18 N24 L25 | T17-K21 VanDerWaalsContact O-CB 3.32Å; T17-K21 WeakPolarHBondContact O-CB 3.42Å; T17-K21 WeakPolarHBondContact O-CG 3.49Å; T17-K21 PolarHBondContact O-N 3.47Å; F18-K21 CarbonylContact O-C 3.53Å; F18-K21 PolarHBondContact O-N 3.41Å; K21-N24 CarbonylContact O-C 3.51Å; K21-N24 VanDerWaalsContact O-C 3.31Å; K21-N24 PolarHBondContact O-N 3.4Å; K21-L25 WeakPolarHBondContact O-CB 3.4Å; K21-L25 WeakPolarHBondContact O-CD1 3.44Å; K21-L25 PolarHBondContact O-N 3.31Å |
| 22 | F | 55.3 | Low | 46.7 | Very low | 107 Ų | 107 | 104.1 Ų | 104.1 | 47% | 0.469 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -74.7 | -38.4 | -177.6 | -169.8 | -115.9 | 0 | 0 | 0 | 111.1 | F18 L19 L25 I26 | F18-F22 HydrophobicContact CD1-CB 4.39Å; F18-F22 HydrophobicContact CE1-CB 4.46Å; F18-F22 HydrophobicContact CE1-CD2 4.37Å; F18-F22 HydrophobicContact CE1-CG 4.5Å; F18-F22 WeakPolarHBondContact O-CA 3.49Å; F18-F22 WeakPolarHBondContact O-CB 3.33Å; F18-F22 PolarHBondContact O-N 2.89Å; L19-F22 PolarHBondContact O-N 3.32Å; F22-L25 CarbonylContact O-C 3.58Å; F22-L25 PolarHBondContact O-N 2.92Å; F22-L25 VanDerWaalsContact O-N 3.17Å; F22-I26 HydrophobicContact CD1-CD1 3.67Å; F22-I26 HydrophobicContact CD2-CD1 4.46Å; F22-I26 HydrophobicContact CE1-CD1 3.44Å; F22-I26 VanDerWaalsContact CE1-CD1 3.44Å; F22-I26 HydrophobicContact CE2-CD1 4.27Å; F22-I26 HydrophobicContact CG-CD1 4.19Å; F22-I26 HydrophobicContact CZ-CD1 3.77Å; F22-I26 WeakPolarHBondContact O-CB 3.32Å; F22-I26 WeakPolarHBondContact O-CG1 3.4Å; F22-I26 PolarHBondContact O-N 3.26Å |
| 23 | L | 51.9 | Low | 46.6 | Very low | 92 Ų | 92 | 104.5 Ų | 104.5 | 48% | 0.482 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.6 | -34.8 | 167.2 | -67.9 | 166.9 | 0 | 0 | 0 | 111.3 | L19 L25 N27 | L19-L23 WeakPolarHBondContact O-CB 3.47Å; L19-L23 WeakPolarHBondContact O-CD1 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.5Å; L19-L23 PolarHBondContact O-N 3.18Å; L23-L25 PolarHBondContact O-N 3.25Å; L23-N27 WeakPolarHBondContact O-CB 3.43Å; L23-N27 VanDerWaalsContact O-CG 3.28Å; L23-N27 PolarHBondContact O-N 2.93Å; L23-N27 PolarHBondContact O-ND2 2.87Å |
| 24 | N | 46.9 | Very low | 46.8 | Very low | 93 Ų | 93 | 104.5 Ų | 104.5 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -77.3 | -2.9 | 170.7 | -69.6 | -17.2 | 0 | 0 | 0 | 114.2 | I20 K21 K28 | I20-N24 WeakPolarHBondContact O-CB 3.16Å; I20-N24 PolarHBondContact O-N 2.91Å; I20-N24 PolarHBondContact O-ND2 3.46Å; K21-N24 CarbonylContact O-C 3.51Å; K21-N24 VanDerWaalsContact O-C 3.31Å; K21-N24 PolarHBondContact O-N 3.4Å; N24-K28 WeakPolarHBondContact O-CD 3.33Å; N24-K28 WeakPolarHBondContact O-CG 3.32Å |
| 25 | L | 41.4 | Very low | 47.1 | Very low | 121 Ų | 121 | 99.8 Ų | 99.8 | 63% | 0.634 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -104.3 | -33 | 168.7 | -98.5 | 106.8 | 0 | 0 | 0 | 111.8 | K21 F22 L23 K28 | K21-L25 WeakPolarHBondContact O-CB 3.4Å; K21-L25 WeakPolarHBondContact O-CD1 3.44Å; K21-L25 PolarHBondContact O-N 3.31Å; F22-L25 CarbonylContact O-C 3.58Å; F22-L25 PolarHBondContact O-N 2.92Å; F22-L25 VanDerWaalsContact O-N 3.17Å; L23-L25 PolarHBondContact O-N 3.25Å; L25-K28 CarbonylContact O-C 3.6Å; L25-K28 WeakPolarHBondContact O-CA 3.4Å; L25-K28 WeakPolarHBondContact O-CB 3.37Å; L25-K28 PolarHBondContact O-N 2.85Å |
| 26 | I | 42.7 | Very low | 48.4 | Very low | 89 Ų | 89 | 96.1 Ų | 96.1 | 46% | 0.456 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -75.3 | -33.6 | 173.2 | -70.7 | 171.9 | 0 | 0 | 0 | 110.7 | F22 K28 S29 | F22-I26 HydrophobicContact CD1-CD1 3.67Å; F22-I26 HydrophobicContact CD2-CD1 4.46Å; F22-I26 HydrophobicContact CE1-CD1 3.44Å; F22-I26 VanDerWaalsContact CE1-CD1 3.44Å; F22-I26 HydrophobicContact CE2-CD1 4.27Å; F22-I26 HydrophobicContact CG-CD1 4.19Å; F22-I26 HydrophobicContact CZ-CD1 3.77Å; F22-I26 WeakPolarHBondContact O-CB 3.32Å; F22-I26 WeakPolarHBondContact O-CG1 3.4Å; F22-I26 PolarHBondContact O-N 3.26Å; I26-K28 PolarHBondContact O-N 3.34Å; I26-S29 PolarHBondContact O-N 3.28Å |
| 27 | N | 35.5 | Very low | 49.6 | Very low | 132 Ų | 132 | 96.4 Ų | 96.4 | 71% | 0.706 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 18.3 | 161.9 | -67.8 | -21.2 | 0 | 0 | 0 | 112.9 | L23 | L23-N27 WeakPolarHBondContact O-CB 3.43Å; L23-N27 VanDerWaalsContact O-CG 3.28Å; L23-N27 PolarHBondContact O-N 2.93Å; L23-N27 PolarHBondContact O-ND2 2.87Å |
| 28 | K | 31 | Very low | 50.9 | Low | 175 Ų | 175 | 94.9 Ų | 94.9 | 76% | 0.761 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | 31 | 171.9 | -75.8 | -167.4 | 171.4 | -162.7 | 0 | 113.6 | N24 L25 I26 | N24-K28 WeakPolarHBondContact O-CD 3.33Å; N24-K28 WeakPolarHBondContact O-CG 3.32Å; L25-K28 CarbonylContact O-C 3.6Å; L25-K28 WeakPolarHBondContact O-CA 3.4Å; L25-K28 WeakPolarHBondContact O-CB 3.37Å; L25-K28 PolarHBondContact O-N 2.85Å; I26-K28 PolarHBondContact O-N 3.34Å |
| 29 | S | 29.8 | Very low | 52.1 | Low | 103 Ų | 103 | 90.9 Ų | 90.9 | 72% | 0.72 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -139.8 | 75.2 | 163.3 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | I26 | I26-S29 PolarHBondContact O-N 3.28Š|
| 30 | G | 34.8 | Very low | 53.6 | Low | 73 Ų | 73 | 89.8 Ų | 89.8 | 75% | 0.753 | 51% | 0.511 | S | S | * | . | S | Bend | trans | 178.5 | 41.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 31 | A | 33.1 | Very low | 54.9 | Low | 96 Ų | 96 | 87.3 Ų | 87.3 | 79% | 0.793 | 50% | 0.502 | S | S | * | . | trans | 29.2 | 91.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | S33 | A31-S33 PolarHBondContact O-N 3.27Š| ||
| 32 | S | 31.7 | Very low | 56.7 | Low | 102 Ų | 102 | 81 Ų | 81 | 71% | 0.713 | 47% | 0.474 | S | S | * | . | trans | -69.5 | 112.5 | 152.3 | 97.2 | 0 | 0 | 0 | 0 | 107.5 | D34 | S32-D34 WeakPolarHBondContact CB-OD1 3.24Å; S32-D34 PolarHBondContact OG-OD1 3.28Å | ||
| 33 | S | 44.8 | Very low | 58.2 | Low | 78 Ų | 78 | 78.2 Ų | 78.2 | 55% | 0.545 | 47% | 0.465 | S | S | . | . | trans | -93.2 | 95.5 | 154.2 | 64.5 | 0 | 0 | 0 | 0 | 106 | A31 S35 | A31-S33 PolarHBondContact O-N 3.27Å; S33-S35 PolarHBondContact O-N 2.95Å; S33-S35 VanDerWaalsContact O-N 3.08Å | ||
| 34 | D | 53.1 | Low | 60 | Low | 75 Ų | 75 | 77.8 Ų | 77.8 | 40% | 0.401 | 46% | 0.463 | S | S | . | . | trans | -61.7 | -17.8 | 178.3 | -70.5 | 2.8 | 0 | 0 | 0 | 111.9 | S32 N113 S116 F118 | S32-D34 WeakPolarHBondContact CB-OD1 3.24Å; S32-D34 PolarHBondContact OG-OD1 3.28Å; D34-N113 PolarHBondContact O-ND2 3.03Å; D34-S116 WeakPolarHBondContact OD2-CB 3.09Å; D34-F118 WeakPolarHBondContact O-CD1 3.38Å | ||
| 35 | S | 59.2 | Low | 61.9 | Low | 71 Ų | 71 | 76.2 Ų | 76.2 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | trans | -68.6 | 131.3 | 169.9 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | S33 | S33-S35 PolarHBondContact O-N 2.95Å; S33-S35 VanDerWaalsContact O-N 3.08Å | ||
| 36 | F | 78.1 | Confident | 63.7 | Low | 12 Ų | 12 | 75.8 Ų | 75.8 | 5% | 0.053 | 45% | 0.451 | C | S | . | . | trans | -122.4 | 159.6 | 160.1 | 52 | -87.7 | 0 | 0 | 0 | 107.7 | V59 I65 A111 N113 F118 T120 | F36-V59 HydrophobicContact CB-CB 4.49Å; F36-V59 HydrophobicContact CB-CG2 4.33Å; F36-V59 HydrophobicContact CD2-CB 3.87Å; F36-V59 HydrophobicContact CD2-CG1 3.84Å; F36-V59 HydrophobicContact CD2-CG2 3.81Å; F36-V59 HydrophobicContact CE2-CG1 4.28Å; F36-V59 HydrophobicContact CG-CG2 4.28Å; F36-I65 HydrophobicContact CB-CD1 4.2Å; F36-I65 HydrophobicContact CD1-CD1 3.53Å; F36-I65 HydrophobicContact CD2-CD1 4.2Å; F36-I65 HydrophobicContact CE1-CD1 3.95Å; F36-I65 HydrophobicContact CG-CD1 3.67Å; F36-I65 HydrophobicContact CZ-CD1 4.44Å; F36-A111 HydrophobicContact CD2-CB 4.35Å; F36-A111 HydrophobicContact CE2-CB 3.54Å; F36-A111 HydrophobicContact CZ-CB 4.18Å; F36-A111 VanDerWaalsContact CZ-O 3.31Å; F36-A111 WeakPolarHBondContact CZ-O 3.26Å; F36-N113 HydrophobicContact CD1-CB 3.84Å; F36-N113 HydrophobicContact CE1-CB 3.49Å; F36-N113 VanDerWaalsContact CE1-CB 3.49Å; F36-F118 HydrophobicContact CD1-CD1 4.12Å; F36-F118 AromaticContact CE1-CD1 3.55Å; F36-F118 HydrophobicContact CE1-CD1 3.55Å; F36-F118 HydrophobicContact CE1-CE1 4.25Å; F36-F118 HydrophobicContact CE1-CG 4.49Å; F36-F118 WeakPolarHBondContact CE1-O 3.26Å; F36-F118 HydrophobicContact CZ-CD1 4.07Å; F36-F118 HydrophobicContact CZ-CE1 4.45Å; F36-T120 HydrophobicContact CD2-CG2 4.11Å; F36-T120 HydrophobicContact CE2-CG2 3.33Å; F36-T120 HydrophobicContact CZ-CG2 3.7Å | ||
| 37 | Y | 83.2 | Confident | 65.3 | Low | 93 Ų | 93 | 72.2 Ų | 72.2 | 37% | 0.365 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 149.1 | -179.8 | 60.1 | -88.6 | 0 | 0 | 0 | 111.5 | T39 V59 T60 L1157 | Y37-T39 HydrophobicContact CD2-CG2 4.08Å; Y37-T39 HydrophobicContact CE2-CG2 3.52Å; Y37-T39 PolarHBondContact O-N 3.4Å; Y37-V59 CarbonylContact O-C 3.53Å; Y37-V59 WeakPolarHBondContact O-CA 3.43Å; Y37-V59 VanDerWaalsContact O-CB 3.28Å; Y37-V59 WeakPolarHBondContact O-CB 3.23Å; Y37-T60 WeakPolarHBondContact CD1-O 3.47Å; Y37-T60 HydrophobicContact CE1-CG2 4.26Å; Y37-T60 WeakPolarHBondContact CE1-O 3.24Å; Y37-T60 PolarHBondContact N-O 2.89Å; Y37-T60 PolarHBondContact O-N 3.43Å; Y37-L1157 HydrophobicContact CD2-CD1 4.17Å; Y37-L1157 HydrophobicContact CE2-CD1 3.78Å |
| 38 | F | 87.5 | Confident | 66.8 | Low | 40 Ų | 40 | 66.3 Ų | 66.3 | 18% | 0.175 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 117.2 | 177 | -67.3 | -89.8 | 0 | 0 | 0 | 110.6 | A58 V59 C109 A111 T120 A121 S122 | F38-A58 CarbonylContact C-O 3.54Å; F38-A58 WeakPolarHBondContact CA-O 3.48Å; F38-V59 HydrophobicContact CB-CG1 4.46Å; F38-V59 HydrophobicContact CD1-CG1 3.45Å; F38-V59 VanDerWaalsContact CD1-CG1 3.45Å; F38-V59 HydrophobicContact CD2-CG1 4.33Å; F38-V59 HydrophobicContact CE1-CG1 3.59Å; F38-V59 HydrophobicContact CE2-CG1 4.44Å; F38-V59 HydrophobicContact CG-CG1 3.84Å; F38-V59 HydrophobicContact CZ-CG1 4.1Å; F38-C109 HydrophobicContact CE1-CB 4.26Å; F38-C109 WeakPolarHBondContact CE1-O 3.49Å; F38-C109 VanDerWaalsContact CZ-O 3.3Å; F38-C109 WeakPolarHBondContact CZ-O 3.2Å; F38-A111 HydrophobicContact CE1-CB 4.04Å; F38-A111 HydrophobicContact CZ-CB 3.85Å; F38-T120 HydrophobicContact CE2-CG2 3.89Å; F38-A121 WeakPolarHBondContact CE2-O 3.33Å; F38-A121 VanDerWaalsContact CZ-C 3.49Å; F38-S122 VanDerWaalsContact CZ-N 3.33Å |
| 39 | T | 84.8 | Confident | 68.7 | Low | 50 Ų | 50 | 59.1 Ų | 59.1 | 31% | 0.307 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -23 | 168.7 | 35.7 | 0 | 0 | 0 | 0 | 112 | Y37 A58 T60 Y1158 | Y37-T39 HydrophobicContact CD2-CG2 4.08Å; Y37-T39 HydrophobicContact CE2-CG2 3.52Å; Y37-T39 PolarHBondContact O-N 3.4Å; T39-A58 PolarHBondContact N-O 3.24Å; T39-A58 PolarHBondContact OG1-O 2.88Å; T39-T60 VanDerWaalsContact CG2-OG1 3.24Å; T39-T60 WeakPolarHBondContact CG2-OG1 3.17Å; T39-T60 PolarHBondContact OG1-OG1 3Å; T39-Y1158 HydrophobicContact CG2-CE2 4.35Å |
| 40 | V | 86.5 | Confident | 70.5 | Confident | 55 Ų | 55 | 54.6 Ų | 54.6 | 33% | 0.333 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 121.9 | 166.5 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | R56 C57 A58 | V40-R56 HydrophobicContact CG1-CB 3.7Å; V40-C57 WeakPolarHBondContact O-CA 3.43Å; V40-A58 HydrophobicContact CB-CB 3.97Å; V40-A58 HydrophobicContact CG2-CB 4.05Å; V40-A58 PolarHBondContact N-O 2.91Å; V40-A58 PolarHBondContact O-N 2.81Å |
| 41 | S | 87.9 | Confident | 72.2 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | trans | -100.9 | 158.8 | 164.5 | -71.2 | 0 | 0 | 0 | 0 | 109.5 | R56 | S41-R56 CarbonylContact C-O 3.3Š| ||
| 42 | P | 90.7 | Very high | 74.5 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.013 | 30% | 0.299 | C | S | . | . | trans | -66.5 | 149.6 | 167.5 | 31.9 | -36.6 | 0 | 0 | 0 | 110.4 | L55 R56 W69 S122 A125 | P42-L55 HydrophobicContact CB-CB 4.2Å; P42-L55 HydrophobicContact CB-CD2 4.31Å; P42-R56 WeakPolarHBondContact CA-O 3.44Å; P42-W69 HydrophobicContact CB-CH2 3.91Å; P42-W69 HydrophobicContact CB-CZ3 3.87Å; P42-W69 HydrophobicContact CG-CH2 4.12Å; P42-W69 HydrophobicContact CG-CZ3 3.87Å; P42-S122 VanDerWaalsContact CD-OG 3.32Å; P42-S122 WeakPolarHBondContact CD-OG 3.5Å; P42-A125 HydrophobicContact CB-CB 3.58Å; P42-A125 HydrophobicContact CG-CB 3.82Å | ||
| 43 | N | 88.5 | Confident | 77.1 | Confident | 50 Ų | 50 | 47.3 Ų | 47.3 | 27% | 0.267 | 27% | 0.266 | S | S | . | . | trans | -111.6 | 157.2 | 170.6 | -73.7 | -11.5 | 0 | 0 | 0 | 109.5 | A125 G1152 N1153 | N43-A125 VanDerWaalsContact C-CB 3.48Å; N43-A125 WeakPolarHBondContact O-CB 3.36Å; N43-G1152 PolarHBondContact ND2-O 3.15Å; N43-N1153 PolarHBondContact ND2-O 3.21Å | ||
| 44 | D | 89.8 | Confident | 79.3 | Confident | 83 Ų | 83 | 48.9 Ų | 48.9 | 44% | 0.444 | 26% | 0.26 | S | S | . | . | trans | -55.8 | 140.8 | 173.8 | -53.5 | -22.7 | 0 | 0 | 0 | 111 | A125 K126 | D44-A125 WeakPolarHBondContact OD1-CA 3.26Å; D44-K126 CarbonylContact C-O 3.51Å; D44-K126 WeakPolarHBondContact CA-O 3.44Å; D44-K126 HydrophobicContact CB-CB 4.48Å; D44-K126 WeakPolarHBondContact CB-O 3.46Å; D44-K126 PolarHBondContact OD1-N 3.17Å | ||
| 45 | Q | 85.8 | Confident | 81.2 | Confident | 60 Ų | 60 | 45.3 Ų | 45.3 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 128.4 | -179.5 | -68.9 | -177.1 | 31.8 | 0 | 0 | 111.6 | V47 L53 R54 L55 K126 V127 N128 | Q45-V47 HydrophobicContact CB-CG2 4.04Å; Q45-L53 HydrophobicContact CB-CD1 4.22Å; Q45-L53 VanDerWaalsContact OE1-CD1 3.29Å; Q45-R54 PolarHBondContact NE2-O 2.73Å; Q45-L55 HydrophobicContact CG-CD2 4.49Å; Q45-K126 PolarHBondContact N-O 2.73Å; Q45-V127 WeakPolarHBondContact O-CA 3.42Å; Q45-N128 PolarHBondContact O-N 3.39Å; Q45-N128 VanDerWaalsContact O-N 3.1Å |
| 46 | D | 79.3 | Confident | 82.7 | Confident | 111 Ų | 111 | 49.2 Ų | 49.2 | 59% | 0.594 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 118.7 | 164.7 | -66.2 | -36.8 | 0 | 0 | 0 | 108.4 | N128 Y130 | D46-N128 WeakPolarHBondContact CA-O 3.41Å; D46-N128 WeakPolarHBondContact OD1-CB 3.39Å; D46-N128 PolarHBondContact OD1-ND2 3.13Å; D46-Y130 HydrophobicContact CB-CD1 4.2Å; D46-Y130 HydrophobicContact CB-CE1 4.26Å |
| 47 | V | 77.1 | Confident | 83.3 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 140.6 | -174.6 | -178.3 | 0 | 0 | 0 | 0 | 111 | Q45 Q51 L53 A98 N128 I129 Y130 | Q45-V47 HydrophobicContact CB-CG2 4.04Å; V47-Q51 HydrophobicContact CG1-CB 3.94Å; V47-L53 HydrophobicContact CG1-CB 4.42Å; V47-L53 HydrophobicContact CG2-CB 4.36Å; V47-L53 HydrophobicContact CG2-CD1 3.89Å; V47-A98 HydrophobicContact CG1-CB 3.95Å; V47-N128 PolarHBondContact N-O 2.96Å; V47-I129 HydrophobicContact CB-CD1 3.94Å; V47-I129 CarbonylContact O-C 3.49Å; V47-I129 VanDerWaalsContact O-CA 3.27Å; V47-I129 WeakPolarHBondContact O-CA 3.22Å; V47-Y130 VanDerWaalsContact C-CE1 3.49Å; V47-Y130 WeakPolarHBondContact O-CD1 3.41Å; V47-Y130 PolarHBondContact O-N 3.34Å |
| 48 | E | 66.9 | Low | 83.6 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 134.5 | 174.3 | -179.5 | 159.2 | -121.2 | 0 | 0 | 111.2 | G50 Q51 Y130 S376 P377 S378 | E48-G50 PolarHBondContact O-N 3.42Å; E48-Q51 HydrophobicContact CB-CB 4.33Å; E48-Q51 HydrophobicContact CB-CG 3.79Å; E48-Q51 HydrophobicContact CG-CG 4.22Å; E48-Q51 VanDerWaalsContact O-CB 3.31Å; E48-Q51 WeakPolarHBondContact O-CB 2.99Å; E48-Q51 PolarHBondContact O-N 3.34Å; E48-Y130 CarbonylContact C-O 3.54Å; E48-Y130 HydrophobicContact CB-CD2 4.33Å; E48-Y130 HydrophobicContact CB-CE1 4.44Å; E48-Y130 HydrophobicContact CB-CE2 3.62Å; E48-Y130 HydrophobicContact CG-CE2 4.05Å; E48-S376 WeakPolarHBondContact OE2-CA 3.34Å; E48-S376 WeakPolarHBondContact OE2-CB 3.37Å; E48-P377 VanDerWaalsContact OE1-CD 3.25Å; E48-P377 WeakPolarHBondContact OE1-CD 3.44Å; E48-S378 PolarHBondContact OE2-OG 2.8Å |
| 49 | E | 70.4 | Confident | 83.6 | Confident | 24 Ų | 24 | 43.7 Ų | 43.7 | 11% | 0.112 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | 128.1 | 177 | -176.3 | 173.4 | -106.5 | 0 | 0 | 111.5 | A98 R100 I129 Y130 W131 Y372 | E49-A98 CarbonylContact C-O 3.57Å; E49-A98 WeakPolarHBondContact CA-O 3.32Å; E49-R100 VanDerWaalsContact CD-NE 3.29Å; E49-R100 VanDerWaalsContact OE1-CB 3.25Å; E49-R100 WeakPolarHBondContact OE1-CB 3.33Å; E49-R100 WeakPolarHBondContact OE1-CG 2.92Å; E49-R100 IonicContact OE1-CZ 2.71Å; E49-R100 PolarHBondContact OE1-N 3.25Å; E49-R100 IonicContact OE1-NE 3.98Å; E49-R100 PolarHBondContact OE1-NE 2.84Å; E49-R100 IonicContact OE1-NH2 3.78Å; E49-R100 IonicContact OE2-CZ 3.74Å; E49-R100 VanDerWaalsContact OE2-CZ 3.31Å; E49-R100 IonicContact OE2-NE 2.69Å; E49-R100 PolarHBondContact OE2-NE 3.14Å; E49-R100 VanDerWaalsContact OE2-NE 3.15Å; E49-R100 IonicContact OE2-NH2 3.17Å; E49-R100 PolarHBondContact OE2-NH2 3.02Å; E49-I129 HydrophobicContact CB-CG2 3.96Å; E49-Y130 PolarHBondContact N-O 2.9Å; E49-W131 HydrophobicContact CB-CB 4.33Å; E49-Y372 HydrophobicContact CG-CD1 4.32Å; E49-Y372 HydrophobicContact CG-CE1 4.19Å |
| 50 | G | 66.5 | Low | 83.5 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92 | -17.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | E48 H97 A98 | E48-G50 PolarHBondContact O-N 3.42Å; G50-H97 PolarHBondContact O-ND1 2.8Å; G50-H97 VanDerWaalsContact O-ND1 3.09Å; G50-A98 PolarHBondContact N-O 2.99Å |
| 51 | Q | 72.3 | Confident | 83.2 | Confident | 34 Ų | 34 | 43.2 Ų | 43.2 | 16% | 0.159 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -76.2 | 156.9 | 176.3 | -73.2 | -59.3 | -85.4 | 0 | 0 | 113.4 | V47 E48 L53 A98 S376 N379 | V47-Q51 HydrophobicContact CG1-CB 3.94Å; E48-Q51 HydrophobicContact CB-CB 4.33Å; E48-Q51 HydrophobicContact CB-CG 3.79Å; E48-Q51 HydrophobicContact CG-CG 4.22Å; E48-Q51 VanDerWaalsContact O-CB 3.31Å; E48-Q51 WeakPolarHBondContact O-CB 2.99Å; E48-Q51 PolarHBondContact O-N 3.34Å; Q51-L53 PolarHBondContact O-N 2.89Å; Q51-A98 WeakPolarHBondContact O-CB 3.42Å; Q51-A98 PolarHBondContact O-N 2.8Å; Q51-S376 VanDerWaalsContact CD-CB 3.48Å; Q51-S376 PolarHBondContact NE2-OG 3.49Å; Q51-N379 PolarHBondContact OE1-ND2 2.87Å; Q51-N379 VanDerWaalsContact OE1-ND2 3.08Å |
| 52 | P | 81.1 | Confident | 82.7 | Confident | 81 Ų | 81 | 45.2 Ų | 45.2 | 53% | 0.526 | 24% | 0.24 | S | C | . | . | trans | -78.5 | 111.1 | 178.5 | 30.5 | -34.6 | 0 | 0 | 0 | 112.5 | I95 L96 | P52-I95 CarbonylContact C-O 3.58Å; P52-I95 WeakPolarHBondContact CA-O 3.03Å; P52-L96 WeakPolarHBondContact CA-O 3.17Å | ||
| 53 | L | 86 | Confident | 82 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 130.9 | 171.6 | 164.4 | 65.4 | 0 | 0 | 0 | 110.3 | Q45 V47 Q51 L55 Q94 I95 A98 V127 | Q45-L53 HydrophobicContact CB-CD1 4.22Å; Q45-L53 VanDerWaalsContact OE1-CD1 3.29Å; V47-L53 HydrophobicContact CG1-CB 4.42Å; V47-L53 HydrophobicContact CG2-CB 4.36Å; V47-L53 HydrophobicContact CG2-CD1 3.89Å; Q51-L53 PolarHBondContact O-N 2.89Å; L53-L55 HydrophobicContact CD1-CD2 3.87Å; L53-L55 HydrophobicContact CD1-CG 4.02Å; L53-L55 HydrophobicContact CG-CG 4.36Å; L53-Q94 WeakPolarHBondContact O-CA 3.26Å; L53-I95 HydrophobicContact CB-CB 4.26Å; L53-I95 HydrophobicContact CD2-CD1 4.01Å; L53-I95 HydrophobicContact CD2-CG1 4.31Å; L53-I95 PolarHBondContact N-O 2.99Å; L53-I95 PolarHBondContact O-N 2.93Å; L53-A98 HydrophobicContact CB-CB 4.13Å; L53-V127 HydrophobicContact CD1-CG2 4.2Å; L53-V127 HydrophobicContact CD2-CG1 3.78Å; L53-V127 HydrophobicContact CD2-CG2 4.1Å |
| 54 | R | 90.9 | Very high | 81.5 | Confident | 111 Ų | 111 | 54 Ų | 54 | 42% | 0.419 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 102.5 | 178.8 | -173.9 | 176.5 | -171.7 | -153.9 | 12.4 | 111.2 | Q45 E88 L93 Q94 | Q45-R54 PolarHBondContact NE2-O 2.73Å; R54-E88 IonicContact CZ-OE1 2.7Å; R54-E88 IonicContact CZ-OE2 3.25Å; R54-E88 IonicContact NE-OE2 2.87Å; R54-E88 PolarHBondContact NE-OE2 2.69Å; R54-E88 IonicContact NH2-OE1 3.4Å; R54-E88 PolarHBondContact NH2-OE1 3.04Å; R54-E88 IonicContact NH2-OE2 2.75Å; R54-E88 PolarHBondContact NH2-OE2 2.87Å; R54-L93 WeakPolarHBondContact CA-O 3.35Å; R54-Q94 HydrophobicContact CB-CG 4.43Å; R54-Q94 HydrophobicContact CG-CG 4.02Å |
| 55 | L | 92.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 116 | 174.5 | -61.9 | -178.2 | 0 | 0 | 0 | 109.6 | P42 Q45 L53 W69 N92 L93 Y107 V127 | P42-L55 HydrophobicContact CB-CB 4.2Å; P42-L55 HydrophobicContact CB-CD2 4.31Å; Q45-L55 HydrophobicContact CG-CD2 4.49Å; L53-L55 HydrophobicContact CD1-CD2 3.87Å; L53-L55 HydrophobicContact CD1-CG 4.02Å; L53-L55 HydrophobicContact CG-CG 4.36Å; L55-W69 HydrophobicContact CB-CH2 3.44Å; L55-W69 VanDerWaalsContact CB-CH2 3.44Å; L55-W69 HydrophobicContact CB-CZ2 4.3Å; L55-W69 HydrophobicContact CB-CZ3 3.61Å; L55-W69 HydrophobicContact CD1-CE3 4.41Å; L55-W69 HydrophobicContact CD1-CZ3 3.86Å; L55-W69 HydrophobicContact CG-CZ3 4.4Å; L55-W69 WeakPolarHBondContact O-CH2 3.17Å; L55-W69 WeakPolarHBondContact O-CZ2 3.26Å; L55-N92 CarbonylContact O-C 3.52Å; L55-N92 WeakPolarHBondContact O-CA 3.26Å; L55-L93 HydrophobicContact CB-CB 4.4Å; L55-L93 HydrophobicContact CD1-CD2 4.42Å; L55-L93 PolarHBondContact N-O 2.69Å; L55-L93 PolarHBondContact O-N 3.09Å; L55-Y107 VanDerWaalsContact CD1-CB 3.43Å; L55-Y107 HydrophobicContact CD1-CD1 3.81Å; L55-Y107 HydrophobicContact CD1-CD2 3.85Å; L55-Y107 HydrophobicContact CD1-CE1 4.5Å; L55-Y107 HydrophobicContact CD1-CG 3.42Å; L55-Y107 VanDerWaalsContact CD1-CG 3.42Å; L55-V127 HydrophobicContact CD1-CG2 4.13Å; L55-V127 HydrophobicContact CD2-CG2 4.15Å |
| 56 | R | 91.5 | Very high | 81.2 | Confident | 154 Ų | 154 | 52 Ų | 52 | 58% | 0.581 | 26% | 0.264 | S | S | * | . | trans | -83.8 | 145.9 | -178.7 | -62.4 | -171.5 | -68.8 | -170.4 | -1.7 | 111.6 | V40 S41 P42 N92 | V40-R56 HydrophobicContact CG1-CB 3.7Å; S41-R56 CarbonylContact C-O 3.3Å; P42-R56 WeakPolarHBondContact CA-O 3.44Å; R56-N92 WeakPolarHBondContact CA-OD1 3.33Å | ||
| 57 | C | 91.1 | Very high | 81.7 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -152.3 | 138.4 | 174.2 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | V40 W69 S91 N92 C109 | V40-C57 WeakPolarHBondContact O-CA 3.43Å; C57-W69 HydrophobicContact CB-CH2 3.94Å; C57-W69 HydrophobicContact CB-CZ2 3.44Å; C57-W69 VanDerWaalsContact CB-CZ2 3.44Å; C57-S91 VanDerWaalsContact O-CB 3.31Å; C57-S91 WeakPolarHBondContact O-CB 3.1Å; C57-S91 PolarHBondContact O-OG 2.92Å; C57-N92 PolarHBondContact N-OD1 3.13Å; C57-N92 PolarHBondContact O-OD1 3.01Å; C57-C109 HydrophobicContact CB-CB 3.64Å; C57-C109 WeakPolarHBondContact CB-SG 3.25Å; C57-C109 WeakPolarHBondContact SG-CB 3.23Å; C57-C109 CovalentContact SG-SG 2.03Å; C57-C109 PolarHBondContact SG-SG 2.77Å | ||
| 58 | A | 88.8 | Confident | 82.3 | Confident | 27 Ų | 27 | 47.2 Ų | 47.2 | 22% | 0.223 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 148.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F38 T39 V40 | F38-A58 CarbonylContact C-O 3.54Å; F38-A58 WeakPolarHBondContact CA-O 3.48Å; T39-A58 PolarHBondContact N-O 3.24Å; T39-A58 PolarHBondContact OG1-O 2.88Å; V40-A58 HydrophobicContact CB-CB 3.97Å; V40-A58 HydrophobicContact CG2-CB 4.05Å; V40-A58 PolarHBondContact N-O 2.91Å; V40-A58 PolarHBondContact O-N 2.81Å |
| 59 | V | 86.9 | Confident | 83.6 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 153.4 | 169.5 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | F36 Y37 F38 P61 S62 I65 Y67 A111 | F36-V59 HydrophobicContact CB-CB 4.49Å; F36-V59 HydrophobicContact CB-CG2 4.33Å; F36-V59 HydrophobicContact CD2-CB 3.87Å; F36-V59 HydrophobicContact CD2-CG1 3.84Å; F36-V59 HydrophobicContact CD2-CG2 3.81Å; F36-V59 HydrophobicContact CE2-CG1 4.28Å; F36-V59 HydrophobicContact CG-CG2 4.28Å; Y37-V59 CarbonylContact O-C 3.53Å; Y37-V59 WeakPolarHBondContact O-CA 3.43Å; Y37-V59 VanDerWaalsContact O-CB 3.28Å; Y37-V59 WeakPolarHBondContact O-CB 3.23Å; F38-V59 HydrophobicContact CB-CG1 4.46Å; F38-V59 HydrophobicContact CD1-CG1 3.45Å; F38-V59 VanDerWaalsContact CD1-CG1 3.45Å; F38-V59 HydrophobicContact CD2-CG1 4.33Å; F38-V59 HydrophobicContact CE1-CG1 3.59Å; F38-V59 HydrophobicContact CE2-CG1 4.44Å; F38-V59 HydrophobicContact CG-CG1 3.84Å; F38-V59 HydrophobicContact CZ-CG1 4.1Å; V59-P61 CarbonylContact O-C 3.52Å; V59-S62 WeakPolarHBondContact O-CA 3.39Å; V59-S62 WeakPolarHBondContact O-CB 3.36Å; V59-S62 PolarHBondContact O-N 2.86Å; V59-I65 HydrophobicContact CG2-CB 4.23Å; V59-I65 HydrophobicContact CG2-CD1 4.16Å; V59-I65 HydrophobicContact CG2-CG1 3.64Å; V59-I65 HydrophobicContact CG2-CG2 3.84Å; V59-Y67 HydrophobicContact CG1-CE1 4.22Å; V59-Y67 HydrophobicContact CG2-CE1 4.32Å; V59-Y67 PolarHBondContact N-OH 2.82Å; V59-Y67 VanDerWaalsContact N-OH 3.12Å; V59-A111 HydrophobicContact CG1-CB 3.84Å |
| 60 | T | 83 | Confident | 84.6 | Confident | 32 Ų | 32 | 47 Ų | 47 | 20% | 0.196 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.8 | 170.1 | -67.7 | 0 | 0 | 0 | 0 | 109.6 | Y37 T39 Y1158 | Y37-T60 WeakPolarHBondContact CD1-O 3.47Å; Y37-T60 HydrophobicContact CE1-CG2 4.26Å; Y37-T60 WeakPolarHBondContact CE1-O 3.24Å; Y37-T60 PolarHBondContact N-O 2.89Å; Y37-T60 PolarHBondContact O-N 3.43Å; T39-T60 VanDerWaalsContact CG2-OG1 3.24Å; T39-T60 WeakPolarHBondContact CG2-OG1 3.17Å; T39-T60 PolarHBondContact OG1-OG1 3Å; T60-Y1158 WeakPolarHBondContact CG2-OH 3.48Å; T60-Y1158 PolarHBondContact OG1-OH 3.45Å |
| 61 | P | 79.8 | Confident | 85.9 | Confident | 63 Ų | 63 | 47.7 Ų | 47.7 | 41% | 0.409 | 24% | 0.238 | S | C | . | . | S | Bend | cis | -66.5 | 144 | -14.5 | 30.4 | -35 | 0 | 0 | 0 | 111.4 | V59 K63 | V59-P61 CarbonylContact O-C 3.52Å; P61-K63 VanDerWaalsContact C-N 3.34Å |
| 62 | S | 77.3 | Confident | 86.8 | Confident | 82 Ų | 82 | 50.3 Ų | 50.3 | 57% | 0.573 | 25% | 0.253 | S | S | * | . | trans | -84 | -6.9 | -178.9 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | V59 I65 | V59-S62 WeakPolarHBondContact O-CA 3.39Å; V59-S62 WeakPolarHBondContact O-CB 3.36Å; V59-S62 PolarHBondContact O-N 2.86Å; S62-I65 WeakPolarHBondContact O-CG1 3.12Å | ||
| 63 | K | 76.7 | Confident | 87 | Confident | 155 Ų | 155 | 49 Ų | 49 | 67% | 0.674 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 138 | -176.1 | -174.5 | -177 | 171.1 | -172.3 | 0 | 111.3 | P61 I65 | P61-K63 VanDerWaalsContact C-N 3.34Å; K63-I65 PolarHBondContact O-N 2.68Å; K63-I65 VanDerWaalsContact O-N 3.11Å |
| 64 | D | 77.8 | Confident | 87.1 | Confident | 82 Ų | 82 | 53.4 Ų | 53.4 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 16 | -178.9 | -56.6 | -43 | 0 | 0 | 0 | 115.1 | R114 | D64-R114 VanDerWaalsContact O-CB 3.28Å; D64-R114 WeakPolarHBondContact O-CB 3.46Å; D64-R114 WeakPolarHBondContact O-CD 3.24Å; D64-R114 WeakPolarHBondContact O-CG 3.4Å; D64-R114 PolarHBondContact O-N 3.25Å |
| 65 | I | 84.8 | Confident | 86.9 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 8% | 0.082 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 151 | 174 | -53.9 | -60.7 | 0 | 0 | 0 | 111 | F36 V59 S62 K63 Y67 A111 L112 N113 R114 | F36-I65 HydrophobicContact CB-CD1 4.2Å; F36-I65 HydrophobicContact CD1-CD1 3.53Å; F36-I65 HydrophobicContact CD2-CD1 4.2Å; F36-I65 HydrophobicContact CE1-CD1 3.95Å; F36-I65 HydrophobicContact CG-CD1 3.67Å; F36-I65 HydrophobicContact CZ-CD1 4.44Å; V59-I65 HydrophobicContact CG2-CB 4.23Å; V59-I65 HydrophobicContact CG2-CD1 4.16Å; V59-I65 HydrophobicContact CG2-CG1 3.64Å; V59-I65 HydrophobicContact CG2-CG2 3.84Å; S62-I65 WeakPolarHBondContact O-CG1 3.12Å; K63-I65 PolarHBondContact O-N 2.68Å; K63-I65 VanDerWaalsContact O-N 3.11Å; I65-Y67 HydrophobicContact CB-CE2 4.33Å; I65-Y67 HydrophobicContact CG2-CD2 4.16Å; I65-Y67 HydrophobicContact CG2-CE1 4.3Å; I65-Y67 HydrophobicContact CG2-CE2 3.88Å; I65-Y67 HydrophobicContact CG2-CG 4.49Å; I65-A111 HydrophobicContact CG2-CB 3.89Å; I65-L112 CarbonylContact C-O 3.57Å; I65-L112 WeakPolarHBondContact CA-O 3.37Å; I65-N113 HydrophobicContact CD1-CB 4.02Å; I65-R114 PolarHBondContact O-NE 2.75Å |
| 66 | Y | 85.9 | Confident | 86.7 | Confident | 84 Ų | 84 | 55.3 Ų | 55.3 | 33% | 0.329 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 128.5 | 167.3 | 170.6 | -89 | 0 | 0 | 0 | 108.5 | R75 A111 L112 | Y66-R75 VanDerWaalsContact CE1-NH2 3.34Å; Y66-R75 PolarHBondContact OH-NH2 2.82Å; Y66-A111 WeakPolarHBondContact O-CA 3.42Å; Y66-L112 HydrophobicContact CD1-CB 4.38Å; Y66-L112 HydrophobicContact CD1-CD2 4.13Å; Y66-L112 PolarHBondContact N-O 2.69Å; Y66-L112 PolarHBondContact O-N 2.92Å |
| 67 | Y | 89.4 | Confident | 86.3 | Confident | 21 Ų | 21 | 56 Ų | 56 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 143.1 | 178.3 | -59.1 | -96.3 | 0 | 0 | 0 | 111.3 | V59 I65 D90 Q110 A111 | V59-Y67 HydrophobicContact CG1-CE1 4.22Å; V59-Y67 HydrophobicContact CG2-CE1 4.32Å; V59-Y67 PolarHBondContact N-OH 2.82Å; V59-Y67 VanDerWaalsContact N-OH 3.12Å; I65-Y67 HydrophobicContact CB-CE2 4.33Å; I65-Y67 HydrophobicContact CG2-CD2 4.16Å; I65-Y67 HydrophobicContact CG2-CE1 4.3Å; I65-Y67 HydrophobicContact CG2-CE2 3.88Å; I65-Y67 HydrophobicContact CG2-CG 4.49Å; Y67-D90 WeakPolarHBondContact CD2-O 3.29Å; Y67-Q110 WeakPolarHBondContact CA-O 3.03Å; Y67-A111 HydrophobicContact CD1-CB 4.17Å; Y67-A111 HydrophobicContact CE1-CB 4.34Å |
| 68 | S | 90.3 | Very high | 85.7 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 161.7 | 165.8 | 37.8 | 0 | 0 | 0 | 0 | 109.4 | Q110 | S68-Q110 PolarHBondContact N-O 2.82Å; S68-Q110 WeakPolarHBondContact O-CA 3.26Å; S68-Q110 PolarHBondContact O-N 3.19Å; S68-Q110 PolarHBondContact OG-OE1 3.01Å |
| 69 | W | 92.9 | Very high | 84.9 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 1% | 0.011 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 147.3 | -179.5 | -72.8 | 70.4 | 0 | 0 | 0 | 111 | P42 L55 C57 L76 S91 L93 Q108 C109 | P42-W69 HydrophobicContact CB-CH2 3.91Å; P42-W69 HydrophobicContact CB-CZ3 3.87Å; P42-W69 HydrophobicContact CG-CH2 4.12Å; P42-W69 HydrophobicContact CG-CZ3 3.87Å; L55-W69 HydrophobicContact CB-CH2 3.44Å; L55-W69 VanDerWaalsContact CB-CH2 3.44Å; L55-W69 HydrophobicContact CB-CZ2 4.3Å; L55-W69 HydrophobicContact CB-CZ3 3.61Å; L55-W69 HydrophobicContact CD1-CE3 4.41Å; L55-W69 HydrophobicContact CD1-CZ3 3.86Å; L55-W69 HydrophobicContact CG-CZ3 4.4Å; L55-W69 WeakPolarHBondContact O-CH2 3.17Å; L55-W69 WeakPolarHBondContact O-CZ2 3.26Å; C57-W69 HydrophobicContact CB-CH2 3.94Å; C57-W69 HydrophobicContact CB-CZ2 3.44Å; C57-W69 VanDerWaalsContact CB-CZ2 3.44Å; W69-L76 HydrophobicContact CB-CB 4.16Å; W69-L76 HydrophobicContact CB-CD2 4.09Å; W69-L76 WeakPolarHBondContact O-CB 3.26Å; W69-L76 PolarHBondContact O-N 2.85Å; W69-S91 PolarHBondContact NE1-O 3.3Å; W69-L93 HydrophobicContact CB-CD2 4.37Å; W69-L93 HydrophobicContact CD2-CB 3.77Å; W69-L93 HydrophobicContact CD2-CD2 4Å; W69-L93 HydrophobicContact CE3-CB 4.27Å; W69-L93 HydrophobicContact CE3-CD2 4.05Å; W69-L93 HydrophobicContact CG-CB 4.14Å; W69-L93 HydrophobicContact CG-CD2 4.14Å; W69-L93 HydrophobicContact CH2-CB 4.36Å; W69-L93 HydrophobicContact CZ2-CB 3.84Å; W69-Q108 CarbonylContact C-O 3.57Å; W69-Q108 WeakPolarHBondContact CA-O 3.37Å; W69-C109 HydrophobicContact CD2-CB 4.18Å; W69-C109 HydrophobicContact CE3-CB 4.24Å; W69-C109 HydrophobicContact CH2-CB 4Å; W69-C109 HydrophobicContact CZ2-CB 3.95Å; W69-C109 HydrophobicContact CZ3-CB 4.15Å |
| 70 | L | 92.6 | Very high | 83.6 | Confident | 25 Ų | 25 | 71.5 Ų | 71.5 | 13% | 0.131 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 146.5 | 165.9 | -50.3 | -177.2 | 0 | 0 | 0 | 108.7 | T74 R75 Y107 Q108 | L70-T74 CarbonylContact C-O 3.6Å; L70-T74 WeakPolarHBondContact CA-O 3.45Å; L70-R75 HydrophobicContact CD2-CB 4.05Å; L70-R75 HydrophobicContact CD2-CG 4.49Å; L70-Y107 WeakPolarHBondContact O-CA 3.18Å; L70-Q108 HydrophobicContact CB-CB 4.18Å; L70-Q108 PolarHBondContact N-O 2.78Å; L70-Q108 PolarHBondContact O-N 3.44Å |
| 71 | H | 93 | Very high | 82.2 | Confident | 21 Ų | 21 | 78.5 Ų | 78.5 | 10% | 0.097 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 120.9 | 172.1 | 174.4 | -131.2 | 0 | 0 | 0 | 107.7 | G73 T74 L76 L102 P104 T106 Y107 | H71-G73 PolarHBondContact O-N 2.78Å; H71-T74 PolarHBondContact N-O 3.39Å; H71-T74 PolarHBondContact O-N 3.24Å; H71-T74 PolarHBondContact O-OG1 2.84Å; H71-L76 HydrophobicContact CB-CB 4.43Å; H71-L76 HydrophobicContact CB-CD1 3.91Å; H71-L102 PolarHBondContact CE1-O 2.84Å; H71-P104 PolarHBondContact NE2-O 2.89Å; H71-T106 CarbonylContact C-O 3.5Å; H71-T106 VanDerWaalsContact CA-O 3.31Å; H71-T106 WeakPolarHBondContact CA-O 3.03Å; H71-Y107 HydrophobicContact CB-CD1 4.07Å; H71-Y107 HydrophobicContact CB-CE1 3.86Å; H71-Y107 AromaticContact CD2-CD2 3.9Å; H71-Y107 AromaticContact CD2-CE1 3.72Å; H71-Y107 AromaticContact CD2-CE2 3.43Å; H71-Y107 VanDerWaalsContact CD2-CE2 3.43Å; H71-Y107 WeakPolarHBondContact CD2-CE2 3.27Å; H71-Y107 AromaticContact CD2-CZ 3.33Å; H71-Y107 AromaticContact CG-CE1 3.85Å; H71-Y107 AromaticContact CG-CZ 3.84Å; H71-Y107 AromaticContact NE2-CE2 3.83Å; H71-Y107 AromaticContact NE2-CZ 3.77Å |
| 72 | N | 90.6 | Very high | 81.3 | Confident | 90 Ų | 90 | 76.4 Ų | 76.4 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 46 | -169.6 | -61.6 | -41.3 | 0 | 0 | 0 | 112 | T74 G105 T106 | N72-T74 PolarHBondContact O-N 2.81Å; N72-G105 WeakPolarHBondContact OD1-CA 3.42Å; N72-T106 PolarHBondContact N-O 2.82Å; N72-T106 PolarHBondContact OD1-N 3Å |
| 73 | G | 85.4 | Confident | 80.8 | Confident | 54 Ų | 54 | 73.9 Ų | 73.9 | 56% | 0.557 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | -14.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | H71 | H71-G73 PolarHBondContact O-N 2.78Š|
| 74 | T | 89.5 | Confident | 81 | Confident | 94 Ų | 94 | 66.8 Ų | 66.8 | 58% | 0.577 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 145.8 | -179.3 | 71.8 | 0 | 0 | 0 | 0 | 111.8 | L70 H71 N72 L76 | L70-T74 CarbonylContact C-O 3.6Å; L70-T74 WeakPolarHBondContact CA-O 3.45Å; H71-T74 PolarHBondContact N-O 3.39Å; H71-T74 PolarHBondContact O-N 3.24Å; H71-T74 PolarHBondContact O-OG1 2.84Å; N72-T74 PolarHBondContact O-N 2.81Å; T74-L76 PolarHBondContact O-N 3.15Å |
| 75 | R | 86.5 | Confident | 81.3 | Confident | 135 Ų | 135 | 64.3 Ų | 64.3 | 51% | 0.509 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 114.8 | -178.6 | -174.6 | 169.8 | 175.9 | 151.4 | -6.2 | 111.5 | Y66 L70 Q77 | Y66-R75 VanDerWaalsContact CE1-NH2 3.34Å; Y66-R75 PolarHBondContact OH-NH2 2.82Å; L70-R75 HydrophobicContact CD2-CB 4.05Å; L70-R75 HydrophobicContact CD2-CG 4.49Å; R75-Q77 PolarHBondContact O-N 3.4Å |
| 76 | L | 87.8 | Confident | 81.3 | Confident | 15 Ų | 15 | 67.2 Ų | 67.2 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 123.4 | -177.9 | -173.5 | 70.6 | 0 | 0 | 0 | 111 | W69 H71 T74 L78 L93 Y107 | W69-L76 HydrophobicContact CB-CB 4.16Å; W69-L76 HydrophobicContact CB-CD2 4.09Å; W69-L76 WeakPolarHBondContact O-CB 3.26Å; W69-L76 PolarHBondContact O-N 2.85Å; H71-L76 HydrophobicContact CB-CB 4.43Å; H71-L76 HydrophobicContact CB-CD1 3.91Å; T74-L76 PolarHBondContact O-N 3.15Å; L76-L78 PolarHBondContact O-N 3.22Å; L76-L93 HydrophobicContact CD2-CD1 3.77Å; L76-L93 HydrophobicContact CD2-CD2 3.4Å; L76-L93 HydrophobicContact CD2-CG 4.26Å; L76-Y107 HydrophobicContact CD2-CE1 4.19Å |
| 77 | Q | 81.7 | Confident | 81.1 | Confident | 168 Ų | 168 | 65.2 Ų | 65.2 | 79% | 0.785 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 118 | 171.9 | -60.8 | -167.1 | 22.9 | 0 | 0 | 109.7 | R75 | R75-Q77 PolarHBondContact O-N 3.4Š|
| 78 | L | 79.1 | Confident | 80.4 | Confident | 58 Ų | 58 | 66.5 Ų | 66.5 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 124.9 | 175.4 | -61.9 | 169.4 | 0 | 0 | 0 | 109.6 | L76 R80 L87 L93 | L76-L78 PolarHBondContact O-N 3.22Å; L78-R80 VanDerWaalsContact C-N 3.35Å; L78-R80 PolarHBondContact O-N 2.8Å; L78-L87 HydrophobicContact CD1-CD1 3.75Å; L78-L87 HydrophobicContact CD1-CG 3.68Å; L78-L87 HydrophobicContact CD2-CD2 4.49Å; L78-L87 HydrophobicContact CD2-CG 4.18Å; L78-L93 HydrophobicContact CD2-CD1 3.94Å |
| 79 | E | 71.2 | Confident | 79.1 | Confident | 57 Ų | 57 | 70.6 Ų | 70.6 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | trans | -84.1 | 74.4 | -168.9 | -59.6 | 175.6 | -133 | 0 | 0 | 111.4 | E81 S82 G83 R84 R85 | E79-E81 PolarHBondContact O-N 2.79Å; E79-S82 WeakPolarHBondContact CB-OG 3.49Å; E79-S82 PolarHBondContact O-N 2.78Å; E79-S82 WeakPolarHBondContact OE2-CB 3.34Å; E79-S82 PolarHBondContact OE2-OG 2.74Å; E79-G83 PolarHBondContact O-N 2.03Å; E79-G83 VanDerWaalsContact O-N 3.09Å; E79-R84 IonicContact OE1-CZ 3.05Å; E79-R84 IonicContact OE1-NE 3.23Å; E79-R84 PolarHBondContact OE1-NE 2.62Å; E79-R84 IonicContact OE1-NH2 3.57Å; E79-R84 WeakPolarHBondContact OE2-CB 3.41Å; E79-R84 IonicContact OE2-NE 2.68Å; E79-R85 HydrophobicContact CB-CB 4.44Å; E79-R85 HydrophobicContact CG-CB 4.09Å; E79-R85 HydrophobicContact CG-CG 4.5Å; E79-R85 PolarHBondContact N-O 2.69Å; E79-R85 VanDerWaalsContact OE1-CD 3.27Å; E79-R85 WeakPolarHBondContact OE1-CD 3.3Å; E79-R85 VanDerWaalsContact OE1-CG 3.3Å; E79-R85 WeakPolarHBondContact OE1-CG 3.24Å; E79-R85 IonicContact OE1-NE 3.62Å | ||
| 80 | R | 60.3 | Low | 77.9 | Confident | 241 Ų | 241 | 76.9 Ų | 76.9 | 91% | 0.909 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -24.9 | -174.2 | -64.6 | -174.6 | 179.2 | -166.4 | -0.4 | 115.6 | L78 | L78-R80 VanDerWaalsContact C-N 3.35Å; L78-R80 PolarHBondContact O-N 2.8Å |
| 81 | E | 54.2 | Low | 77.5 | Confident | 179 Ų | 179 | 76.3 Ų | 76.3 | 84% | 0.836 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -28.5 | -174.3 | -63.8 | 179.9 | -162.6 | 0 | 0 | 113.1 | E79 | E79-E81 PolarHBondContact O-N 2.79Š|
| 82 | S | 60.8 | Low | 77.4 | Confident | 19 Ų | 19 | 76.5 Ų | 76.5 | 13% | 0.133 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -30.1 | 177.1 | 75.9 | 0 | 0 | 0 | 0 | 113 | E79 R84 P351 | E79-S82 WeakPolarHBondContact CB-OG 3.49Å; E79-S82 PolarHBondContact O-N 2.78Å; E79-S82 WeakPolarHBondContact OE2-CB 3.34Å; E79-S82 PolarHBondContact OE2-OG 2.74Å; S82-R84 PolarHBondContact O-N 2.83Å; S82-R84 WeakPolarHBondContact OG-CB 3.42Å; S82-R84 PolarHBondContact OG-N 3.08Å; S82-P351 VanDerWaalsContact CB-CB 3.5Å |
| 83 | G | 67.1 | Low | 77.5 | Confident | 29 Ų | 29 | 72.2 Ų | 72.2 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | trans | 67.9 | 13.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E79 Y86 L96 | E79-G83 PolarHBondContact O-N 2.03Å; E79-G83 VanDerWaalsContact O-N 3.09Å; G83-Y86 VanDerWaalsContact O-CD1 3.23Å; G83-Y86 WeakPolarHBondContact O-CD1 3.32Å; G83-Y86 WeakPolarHBondContact O-CE1 3.41Å; G83-L96 WeakPolarHBondContact O-CD1 3.43Å | ||
| 84 | R | 79.4 | Confident | 77.6 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 2% | 0.019 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -73.8 | -56 | 179.6 | -166.4 | -170.4 | 92.9 | 100.6 | -5.5 | 111.8 | E79 S82 I95 L96 H97 D103 S350 | E79-R84 IonicContact OE1-CZ 3.05Å; E79-R84 IonicContact OE1-NE 3.23Å; E79-R84 PolarHBondContact OE1-NE 2.62Å; E79-R84 IonicContact OE1-NH2 3.57Å; E79-R84 WeakPolarHBondContact OE2-CB 3.41Å; E79-R84 IonicContact OE2-NE 2.68Å; S82-R84 PolarHBondContact O-N 2.83Å; S82-R84 WeakPolarHBondContact OG-CB 3.42Å; S82-R84 PolarHBondContact OG-N 3.08Å; R84-I95 HydrophobicContact CG-CG2 4.42Å; R84-I95 CarbonylContact O-C 3.59Å; R84-I95 VanDerWaalsContact O-CA 3.26Å; R84-I95 WeakPolarHBondContact O-CA 3.44Å; R84-L96 PolarHBondContact O-N 3.48Å; R84-H97 PolarHBondContact NH1-O 3.4Å; R84-D103 IonicContact CZ-OD1 3.47Å; R84-D103 IonicContact CZ-OD2 2.56Å; R84-D103 VanDerWaalsContact CZ-OD2 3.28Å; R84-D103 IonicContact NH1-OD1 2.78Å; R84-D103 IonicContact NH1-OD2 3.14Å; R84-D103 PolarHBondContact NH1-OD2 2.98Å; R84-D103 VanDerWaalsContact NH2-CG 3.32Å; R84-D103 IonicContact NH2-OD1 3.66Å; R84-D103 PolarHBondContact NH2-OD1 2.76Å; R84-D103 IonicContact NH2-OD2 2.69Å; R84-D103 PolarHBondContact NH2-OD2 3.06Å; R84-S350 WeakPolarHBondContact CD-OG 3.49Å; R84-S350 WeakPolarHBondContact CG-OG 3.09Å |
| 85 | R | 85.2 | Confident | 77.6 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 110.7 | 178.1 | -69.5 | 176.9 | 166.8 | 170.6 | -9 | 110.3 | E79 Q94 I95 L102 D103 | E79-R85 HydrophobicContact CB-CB 4.44Å; E79-R85 HydrophobicContact CG-CB 4.09Å; E79-R85 HydrophobicContact CG-CG 4.5Å; E79-R85 PolarHBondContact N-O 2.69Å; E79-R85 VanDerWaalsContact OE1-CD 3.27Å; E79-R85 WeakPolarHBondContact OE1-CD 3.3Å; E79-R85 VanDerWaalsContact OE1-CG 3.3Å; E79-R85 WeakPolarHBondContact OE1-CG 3.24Å; E79-R85 IonicContact OE1-NE 3.62Å; R85-Q94 WeakPolarHBondContact CA-O 3.41Å; R85-I95 HydrophobicContact CG-CB 4.41Å; R85-I95 HydrophobicContact CG-CD1 4.01Å; R85-I95 HydrophobicContact CG-CG1 4Å; R85-I95 HydrophobicContact CG-CG2 3.9Å; R85-L102 PolarHBondContact NH2-O 2.87Å; R85-D103 IonicContact CZ-OD1 3.88Å; R85-D103 VanDerWaalsContact CZ-OD1 3.27Å; R85-D103 IonicContact NE-OD1 3.25Å; R85-D103 PolarHBondContact NE-OD1 2.87Å; R85-D103 IonicContact NH2-OD1 3.18Å; R85-D103 PolarHBondContact NH2-OD1 2.87Å |
| 86 | Y | 83.9 | Confident | 77.1 | Confident | 78 Ų | 78 | 61.9 Ų | 61.9 | 31% | 0.306 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 165.9 | 179.3 | 60.9 | -100.8 | 0 | 0 | 0 | 113.9 | G83 E88 Q94 L96 | G83-Y86 VanDerWaalsContact O-CD1 3.23Å; G83-Y86 WeakPolarHBondContact O-CD1 3.32Å; G83-Y86 WeakPolarHBondContact O-CE1 3.41Å; Y86-E88 HydrophobicContact CE2-CB 4.34Å; Y86-Q94 HydrophobicContact CD2-CB 4.2Å; Y86-Q94 HydrophobicContact CE1-CB 4.48Å; Y86-Q94 HydrophobicContact CE2-CB 3.74Å; Y86-Q94 HydrophobicContact CE2-CG 4.15Å; Y86-Q94 VanDerWaalsContact CZ-OE1 3.29Å; Y86-Q94 PolarHBondContact N-O 2.98Å; Y86-Q94 PolarHBondContact O-N 3.09Å; Y86-Q94 PolarHBondContact OH-OE1 3.03Å; Y86-L96 HydrophobicContact CE1-CD1 4.08Å; Y86-L96 HydrophobicContact CE1-CD2 3.97Å; Y86-L96 HydrophobicContact CE1-CG 3.8Å; Y86-L96 WeakPolarHBondContact OH-CD2 3.26Å |
| 87 | L | 83 | Confident | 76.5 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 124.9 | 170.2 | -67.9 | 178.9 | 0 | 0 | 0 | 111.2 | L78 N92 L93 | L78-L87 HydrophobicContact CD1-CD1 3.75Å; L78-L87 HydrophobicContact CD1-CG 3.68Å; L78-L87 HydrophobicContact CD2-CD2 4.49Å; L78-L87 HydrophobicContact CD2-CG 4.18Å; L87-N92 CarbonylContact C-O 3.45Å; L87-N92 VanDerWaalsContact CA-O 3.3Å; L87-N92 WeakPolarHBondContact CA-O 3.22Å; L87-L93 HydrophobicContact CD2-CB 4.48Å |
| 88 | E | 73.2 | Confident | 76.5 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 127.7 | 172.5 | -169.1 | -146.6 | 167 | 0 | 0 | 108.7 | R54 Y86 D90 S91 N92 Q94 | R54-E88 IonicContact CZ-OE1 2.7Å; R54-E88 IonicContact CZ-OE2 3.25Å; R54-E88 IonicContact NE-OE2 2.87Å; R54-E88 PolarHBondContact NE-OE2 2.69Å; R54-E88 IonicContact NH2-OE1 3.4Å; R54-E88 PolarHBondContact NH2-OE1 3.04Å; R54-E88 IonicContact NH2-OE2 2.75Å; R54-E88 PolarHBondContact NH2-OE2 2.87Å; Y86-E88 HydrophobicContact CE2-CB 4.34Å; E88-D90 PolarHBondContact O-N 2.72Å; E88-S91 PolarHBondContact O-N 2.95Å; E88-N92 HydrophobicContact CB-CB 4.31Å; E88-N92 PolarHBondContact N-O 3.03Å; E88-N92 PolarHBondContact O-N 2.8Å; E88-N92 VanDerWaalsContact O-N 3.12Å; E88-Q94 HydrophobicContact CB-CG 4.18Å; E88-Q94 PolarHBondContact OE2-NE2 3.29Å |
| 89 | V | 64.4 | Low | 76.6 | Confident | 93 Ų | 93 | 51.4 Ų | 51.4 | 56% | 0.564 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 43.4 | -175.5 | -154.5 | 0 | 0 | 0 | 0 | 112.4 | S91 | V89-S91 PolarHBondContact O-N 2.88Å; V89-S91 PolarHBondContact O-OG 2.81Å; V89-S91 VanDerWaalsContact O-OG 3.04Å |
| 90 | D | 67.9 | Low | 76.9 | Confident | 134 Ų | 134 | 50.1 Ų | 50.1 | 72% | 0.717 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 9 | 178.3 | -66.7 | -47.1 | 0 | 0 | 0 | 116.9 | Y67 E88 | Y67-D90 WeakPolarHBondContact CD2-O 3.29Å; E88-D90 PolarHBondContact O-N 2.72Å |
| 91 | S | 84.1 | Confident | 77.8 | Confident | 14 Ų | 14 | 42.6 Ų | 42.6 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -143.1 | -48 | -171.8 | 53.6 | 0 | 0 | 0 | 0 | 115.4 | C57 W69 E88 V89 | C57-S91 VanDerWaalsContact O-CB 3.31Å; C57-S91 WeakPolarHBondContact O-CB 3.1Å; C57-S91 PolarHBondContact O-OG 2.92Å; W69-S91 PolarHBondContact NE1-O 3.3Å; E88-S91 PolarHBondContact O-N 2.95Å; V89-S91 PolarHBondContact O-N 2.88Å; V89-S91 PolarHBondContact O-OG 2.81Å; V89-S91 VanDerWaalsContact O-OG 3.04Å |
| 92 | N | 90.3 | Very high | 79.2 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 132.7 | -178.6 | -58.6 | -47.3 | 0 | 0 | 0 | 110.8 | L55 R56 C57 L87 E88 | L55-N92 CarbonylContact O-C 3.52Å; L55-N92 WeakPolarHBondContact O-CA 3.26Å; R56-N92 WeakPolarHBondContact CA-OD1 3.33Å; C57-N92 PolarHBondContact N-OD1 3.13Å; C57-N92 PolarHBondContact O-OD1 3.01Å; L87-N92 CarbonylContact C-O 3.45Å; L87-N92 VanDerWaalsContact CA-O 3.3Å; L87-N92 WeakPolarHBondContact CA-O 3.22Å; E88-N92 HydrophobicContact CB-CB 4.31Å; E88-N92 PolarHBondContact N-O 3.03Å; E88-N92 PolarHBondContact O-N 2.8Å; E88-N92 VanDerWaalsContact O-N 3.12Å |
| 93 | L | 91.7 | Very high | 80.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.3 | 173.3 | 173.9 | 64.5 | 0 | 0 | 0 | 110.1 | R54 L55 W69 L76 L78 L87 I95 Y107 | R54-L93 WeakPolarHBondContact CA-O 3.35Å; L55-L93 HydrophobicContact CB-CB 4.4Å; L55-L93 HydrophobicContact CD1-CD2 4.42Å; L55-L93 PolarHBondContact N-O 2.69Å; L55-L93 PolarHBondContact O-N 3.09Å; W69-L93 HydrophobicContact CB-CD2 4.37Å; W69-L93 HydrophobicContact CD2-CB 3.77Å; W69-L93 HydrophobicContact CD2-CD2 4Å; W69-L93 HydrophobicContact CE3-CB 4.27Å; W69-L93 HydrophobicContact CE3-CD2 4.05Å; W69-L93 HydrophobicContact CG-CB 4.14Å; W69-L93 HydrophobicContact CG-CD2 4.14Å; W69-L93 HydrophobicContact CH2-CB 4.36Å; W69-L93 HydrophobicContact CZ2-CB 3.84Å; L76-L93 HydrophobicContact CD2-CD1 3.77Å; L76-L93 HydrophobicContact CD2-CD2 3.4Å; L76-L93 HydrophobicContact CD2-CG 4.26Å; L78-L93 HydrophobicContact CD2-CD1 3.94Å; L87-L93 HydrophobicContact CD2-CB 4.48Å; L93-I95 HydrophobicContact CD1-CG1 4.38Å; L93-I95 HydrophobicContact CD2-CD1 4.34Å; L93-I95 HydrophobicContact CD2-CG1 4.47Å; L93-I95 HydrophobicContact CG-CG1 4.2Å; L93-Y107 HydrophobicContact CD2-CD1 3.84Å; L93-Y107 HydrophobicContact CD2-CE1 3.82Å |
| 94 | Q | 88.9 | Confident | 81.6 | Confident | 32 Ų | 32 | 37.2 Ų | 37.2 | 15% | 0.15 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138.4 | 165.2 | -70.7 | -165.4 | 6.8 | 0 | 0 | 110.6 | L53 R54 R85 Y86 E88 | L53-Q94 WeakPolarHBondContact O-CA 3.26Å; R54-Q94 HydrophobicContact CB-CG 4.43Å; R54-Q94 HydrophobicContact CG-CG 4.02Å; R85-Q94 WeakPolarHBondContact CA-O 3.41Å; Y86-Q94 HydrophobicContact CD2-CB 4.2Å; Y86-Q94 HydrophobicContact CE1-CB 4.48Å; Y86-Q94 HydrophobicContact CE2-CB 3.74Å; Y86-Q94 HydrophobicContact CE2-CG 4.15Å; Y86-Q94 VanDerWaalsContact CZ-OE1 3.29Å; Y86-Q94 PolarHBondContact N-O 2.98Å; Y86-Q94 PolarHBondContact O-N 3.09Å; Y86-Q94 PolarHBondContact OH-OE1 3.03Å; E88-Q94 HydrophobicContact CB-CG 4.18Å; E88-Q94 PolarHBondContact OE2-NE2 3.29Å |
| 95 | I | 88.2 | Confident | 82.1 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 103.6 | 169.2 | -45.5 | -165.8 | 0 | 0 | 0 | 107.4 | P52 L53 R84 R85 L93 H97 D103 Y107 | P52-I95 CarbonylContact C-O 3.58Å; P52-I95 WeakPolarHBondContact CA-O 3.03Å; L53-I95 HydrophobicContact CB-CB 4.26Å; L53-I95 HydrophobicContact CD2-CD1 4.01Å; L53-I95 HydrophobicContact CD2-CG1 4.31Å; L53-I95 PolarHBondContact N-O 2.99Å; L53-I95 PolarHBondContact O-N 2.93Å; R84-I95 HydrophobicContact CG-CG2 4.42Å; R84-I95 CarbonylContact O-C 3.59Å; R84-I95 VanDerWaalsContact O-CA 3.26Å; R84-I95 WeakPolarHBondContact O-CA 3.44Å; R85-I95 HydrophobicContact CG-CB 4.41Å; R85-I95 HydrophobicContact CG-CD1 4.01Å; R85-I95 HydrophobicContact CG-CG1 4Å; R85-I95 HydrophobicContact CG-CG2 3.9Å; L93-I95 HydrophobicContact CD1-CG1 4.38Å; L93-I95 HydrophobicContact CD2-CD1 4.34Å; L93-I95 HydrophobicContact CD2-CG1 4.47Å; L93-I95 HydrophobicContact CG-CG1 4.2Å; I95-H97 VanDerWaalsContact C-N 3.29Å; I95-H97 PolarHBondContact O-N 3.5Å; I95-D103 VanDerWaalsContact CD1-OD1 3.25Å; I95-D103 WeakPolarHBondContact CD1-OD1 3.46Å; I95-Y107 HydrophobicContact CD1-CE1 4.26Å |
| 96 | L | 77.2 | Confident | 82.5 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 17% | 0.173 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -61.7 | -32 | -168.4 | -73.3 | -174.8 | 0 | 0 | 0 | 115.1 | P52 G83 R84 Y86 | P52-L96 WeakPolarHBondContact CA-O 3.17Å; G83-L96 WeakPolarHBondContact O-CD1 3.43Å; R84-L96 PolarHBondContact O-N 3.48Å; Y86-L96 HydrophobicContact CE1-CD1 4.08Å; Y86-L96 HydrophobicContact CE1-CD2 3.97Å; Y86-L96 HydrophobicContact CE1-CG 3.8Å; Y86-L96 WeakPolarHBondContact OH-CD2 3.26Å |
| 97 | H | 75 | Confident | 83 | Confident | 20 Ų | 20 | 34.7 Ų | 34.7 | 9% | 0.093 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -136.4 | 97.9 | 178.3 | -59 | -63.5 | 0 | 0 | 0 | 106.4 | G50 R84 I95 Y372 | G50-H97 PolarHBondContact O-ND1 2.8Å; G50-H97 VanDerWaalsContact O-ND1 3.09Å; R84-H97 PolarHBondContact NH1-O 3.4Å; I95-H97 VanDerWaalsContact C-N 3.29Å; I95-H97 PolarHBondContact O-N 3.5Å; H97-Y372 HydrophobicContact CB-CD1 4.49Å; H97-Y372 HydrophobicContact CB-CD2 3.64Å; H97-Y372 HydrophobicContact CB-CE1 4.48Å; H97-Y372 HydrophobicContact CB-CE2 3.63Å; H97-Y372 HydrophobicContact CB-CG 4.08Å; H97-Y372 AromaticContact CG-CD2 3.82Å |
| 98 | A | 80.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -68.7 | 137 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V47 E49 G50 Q51 L53 I129 | V47-A98 HydrophobicContact CG1-CB 3.95Å; E49-A98 CarbonylContact C-O 3.57Å; E49-A98 WeakPolarHBondContact CA-O 3.32Å; G50-A98 PolarHBondContact N-O 2.99Å; Q51-A98 WeakPolarHBondContact O-CB 3.42Å; Q51-A98 PolarHBondContact O-N 2.8Å; L53-A98 HydrophobicContact CB-CB 4.13Å; A98-I129 HydrophobicContact CB-CD1 3.71Å | ||
| 99 | D | 81.3 | Confident | 84.5 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | trans | -123.4 | 133 | -168.7 | 175.5 | -79.6 | 0 | 0 | 0 | 111 | E101 L102 D103 P104 R370 Y372 | D99-E101 PolarHBondContact O-N 3.29Å; D99-E101 VanDerWaalsContact O-N 3.11Å; D99-E101 WeakPolarHBondContact OD1-CA 3.36Å; D99-E101 PolarHBondContact OD1-N 2.83Å; D99-L102 HydrophobicContact CB-CB 4.22Å; D99-L102 PolarHBondContact O-N 2.81Å; D99-L102 PolarHBondContact OD1-N 2.82Å; D99-D103 WeakPolarHBondContact CB-OD2 3.3Å; D99-D103 PolarHBondContact N-OD2 2.93Å; D99-D103 PolarHBondContact O-N 2.94Å; D99-P104 WeakPolarHBondContact O-CD 3.02Å; D99-R370 IonicContact OD1-NH1 3.23Å; D99-R370 PolarHBondContact OD1-NH1 2.83Å; D99-R370 WeakPolarHBondContact OD2-CD 3.25Å; D99-R370 IonicContact OD2-CZ 2.7Å; D99-R370 IonicContact OD2-NE 2.76Å; D99-R370 IonicContact OD2-NH1 2.81Å; D99-R370 PolarHBondContact OD2-NH1 3.21Å; D99-Y372 PolarHBondContact OD2-OH 3.4Å | ||
| 100 | R | 79.3 | Confident | 85.8 | Confident | 31 Ų | 31 | 30.3 Ų | 30.3 | 12% | 0.117 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -7 | -171.8 | 85.8 | -179.9 | 85.1 | 175.7 | -2.1 | 116 | E49 P104 I129 W131 | E49-R100 VanDerWaalsContact CD-NE 3.29Å; E49-R100 VanDerWaalsContact OE1-CB 3.25Å; E49-R100 WeakPolarHBondContact OE1-CB 3.33Å; E49-R100 WeakPolarHBondContact OE1-CG 2.92Å; E49-R100 IonicContact OE1-CZ 2.71Å; E49-R100 PolarHBondContact OE1-N 3.25Å; E49-R100 IonicContact OE1-NE 3.98Å; E49-R100 PolarHBondContact OE1-NE 2.84Å; E49-R100 IonicContact OE1-NH2 3.78Å; E49-R100 IonicContact OE2-CZ 3.74Å; E49-R100 VanDerWaalsContact OE2-CZ 3.31Å; E49-R100 IonicContact OE2-NE 2.69Å; E49-R100 PolarHBondContact OE2-NE 3.14Å; E49-R100 VanDerWaalsContact OE2-NE 3.15Å; E49-R100 IonicContact OE2-NH2 3.17Å; E49-R100 PolarHBondContact OE2-NH2 3.02Å; R100-P104 VanDerWaalsContact O-CG 3.24Å; R100-P104 WeakPolarHBondContact O-CG 3.39Å; R100-I129 HydrophobicContact CB-CB 4.23Å; R100-I129 HydrophobicContact CB-CG2 3.96Å; R100-W131 HydrophobicContact CB-CE3 4.16Å; R100-W131 HydrophobicContact CB-CZ3 4.4Å; R100-W131 HydrophobicContact CG-CE3 4.46Å; R100-W131 VanDerWaalsContact NH1-NE1 3.16Å |
| 101 | E | 77.8 | Confident | 86.9 | Confident | 83 Ų | 83 | 23.9 Ų | 23.9 | 39% | 0.388 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -24.5 | -179.8 | -62.5 | -176.7 | -173.3 | 0 | 0 | 112.4 | D99 L431 R432 | D99-E101 PolarHBondContact O-N 3.29Å; D99-E101 VanDerWaalsContact O-N 3.11Å; D99-E101 WeakPolarHBondContact OD1-CA 3.36Å; D99-E101 PolarHBondContact OD1-N 2.83Å; E101-L431 WeakPolarHBondContact OE2-CD2 3.28Å; E101-R432 IonicContact OE1-CZ 3.58Å; E101-R432 VanDerWaalsContact OE1-CZ 3.23Å; E101-R432 IonicContact OE1-NH1 3.26Å; E101-R432 PolarHBondContact OE1-NH1 2.99Å; E101-R432 IonicContact OE1-NH2 3.89Å; E101-R432 PolarHBondContact OE1-NH2 2.84Å |
| 102 | L | 83.5 | Confident | 87 | Confident | 69 Ų | 69 | 25.7 Ų | 25.7 | 36% | 0.361 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -27.2 | -178.9 | -62.7 | 178.5 | 0 | 0 | 0 | 114.4 | H71 R85 D99 | H71-L102 PolarHBondContact CE1-O 2.84Å; R85-L102 PolarHBondContact NH2-O 2.87Å; D99-L102 HydrophobicContact CB-CB 4.22Å; D99-L102 PolarHBondContact O-N 2.81Å; D99-L102 PolarHBondContact OD1-N 2.82Å |
| 103 | D | 88.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -111.3 | -8.2 | -172.1 | -58 | -58.8 | 0 | 0 | 0 | 117.8 | R84 R85 I95 D99 Y107 V127 I129 | R84-D103 IonicContact CZ-OD1 3.47Å; R84-D103 IonicContact CZ-OD2 2.56Å; R84-D103 VanDerWaalsContact CZ-OD2 3.28Å; R84-D103 IonicContact NH1-OD1 2.78Å; R84-D103 IonicContact NH1-OD2 3.14Å; R84-D103 PolarHBondContact NH1-OD2 2.98Å; R84-D103 VanDerWaalsContact NH2-CG 3.32Å; R84-D103 IonicContact NH2-OD1 3.66Å; R84-D103 PolarHBondContact NH2-OD1 2.76Å; R84-D103 IonicContact NH2-OD2 2.69Å; R84-D103 PolarHBondContact NH2-OD2 3.06Å; R85-D103 IonicContact CZ-OD1 3.88Å; R85-D103 VanDerWaalsContact CZ-OD1 3.27Å; R85-D103 IonicContact NE-OD1 3.25Å; R85-D103 PolarHBondContact NE-OD1 2.87Å; R85-D103 IonicContact NH2-OD1 3.18Å; R85-D103 PolarHBondContact NH2-OD1 2.87Å; I95-D103 VanDerWaalsContact CD1-OD1 3.25Å; I95-D103 WeakPolarHBondContact CD1-OD1 3.46Å; D99-D103 WeakPolarHBondContact CB-OD2 3.3Å; D99-D103 PolarHBondContact N-OD2 2.93Å; D99-D103 PolarHBondContact O-N 2.94Å; D103-Y107 WeakPolarHBondContact CA-OH 3.45Å; D103-Y107 VanDerWaalsContact O-CE2 3.28Å; D103-Y107 WeakPolarHBondContact O-CE2 3.45Å; D103-Y107 PolarHBondContact O-OH 3.05Å; D103-Y107 PolarHBondContact OD1-OH 2.03Å; D103-V127 WeakPolarHBondContact O-CG1 3.41Å; D103-I129 HydrophobicContact CB-CD1 4.43Å; D103-I129 HydrophobicContact CB-CG1 4.21Å |
| 104 | P | 89.1 | Confident | 86 | Confident | 44 Ų | 44 | 33.3 Ų | 33.3 | 29% | 0.286 | 16% | 0.163 | S | C | . | . | trans | -66.2 | 151.6 | 168.2 | -18.1 | 31 | 0 | 0 | 0 | 111.9 | H71 D99 R100 V127 I129 | H71-P104 PolarHBondContact NE2-O 2.89Å; D99-P104 WeakPolarHBondContact O-CD 3.02Å; R100-P104 VanDerWaalsContact O-CG 3.24Å; R100-P104 WeakPolarHBondContact O-CG 3.39Å; P104-V127 WeakPolarHBondContact CA-O 3.36Å; P104-I129 HydrophobicContact CG-CB 4.24Å; P104-I129 HydrophobicContact CG-CG1 4.04Å | ||
| 105 | G | 90.4 | Very high | 85.2 | Confident | 16 Ų | 16 | 36.1 Ų | 36.1 | 17% | 0.165 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 134.3 | -166.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N72 V127 | N72-G105 WeakPolarHBondContact OD1-CA 3.42Å; G105-V127 PolarHBondContact N-O 3.39Å; G105-V127 PolarHBondContact O-N 2.86Å |
| 106 | T | 93.3 | Very high | 84.3 | Confident | 44 Ų | 44 | 37.4 Ų | 37.4 | 27% | 0.27 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 131.6 | 175.4 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | H71 N72 E124 A125 | H71-T106 CarbonylContact C-O 3.5Å; H71-T106 VanDerWaalsContact CA-O 3.31Å; H71-T106 WeakPolarHBondContact CA-O 3.03Å; N72-T106 PolarHBondContact N-O 2.82Å; N72-T106 PolarHBondContact OD1-N 3Å; T106-E124 VanDerWaalsContact CB-OE2 3.26Å; T106-E124 WeakPolarHBondContact CB-OE2 3.47Å; T106-E124 WeakPolarHBondContact CG2-OE2 3.38Å; T106-E124 PolarHBondContact OG1-OE2 3.48Å; T106-A125 CarbonylContact C-O 3.45Å; T106-A125 WeakPolarHBondContact CA-O 3.47Å |
| 107 | Y | 95 | Very high | 84.2 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.8 | 174.8 | -75.9 | -95.5 | 0 | 0 | 0 | 110.6 | L55 L70 H71 L76 L93 I95 D103 E124 A125 V127 | L55-Y107 VanDerWaalsContact CD1-CB 3.43Å; L55-Y107 HydrophobicContact CD1-CD1 3.81Å; L55-Y107 HydrophobicContact CD1-CD2 3.85Å; L55-Y107 HydrophobicContact CD1-CE1 4.5Å; L55-Y107 HydrophobicContact CD1-CG 3.42Å; L55-Y107 VanDerWaalsContact CD1-CG 3.42Å; L70-Y107 WeakPolarHBondContact O-CA 3.18Å; H71-Y107 HydrophobicContact CB-CD1 4.07Å; H71-Y107 HydrophobicContact CB-CE1 3.86Å; H71-Y107 AromaticContact CD2-CD2 3.9Å; H71-Y107 AromaticContact CD2-CE1 3.72Å; H71-Y107 AromaticContact CD2-CE2 3.43Å; H71-Y107 VanDerWaalsContact CD2-CE2 3.43Å; H71-Y107 WeakPolarHBondContact CD2-CE2 3.27Å; H71-Y107 AromaticContact CD2-CZ 3.33Å; H71-Y107 AromaticContact CG-CE1 3.85Å; H71-Y107 AromaticContact CG-CZ 3.84Å; H71-Y107 AromaticContact NE2-CE2 3.83Å; H71-Y107 AromaticContact NE2-CZ 3.77Å; L76-Y107 HydrophobicContact CD2-CE1 4.19Å; L93-Y107 HydrophobicContact CD2-CD1 3.84Å; L93-Y107 HydrophobicContact CD2-CE1 3.82Å; I95-Y107 HydrophobicContact CD1-CE1 4.26Å; D103-Y107 WeakPolarHBondContact CA-OH 3.45Å; D103-Y107 VanDerWaalsContact O-CE2 3.28Å; D103-Y107 WeakPolarHBondContact O-CE2 3.45Å; D103-Y107 PolarHBondContact O-OH 3.05Å; D103-Y107 PolarHBondContact OD1-OH 2.03Å; Y107-E124 CarbonylContact O-C 3.54Å; Y107-E124 WeakPolarHBondContact O-CA 3.44Å; Y107-A125 PolarHBondContact N-O 3.27Å; Y107-A125 PolarHBondContact O-N 3.32Å; Y107-V127 HydrophobicContact CD2-CB 3.96Å; Y107-V127 HydrophobicContact CD2-CG2 3.53Å; Y107-V127 HydrophobicContact CE2-CB 3.83Å; Y107-V127 HydrophobicContact CE2-CG1 4.36Å; Y107-V127 HydrophobicContact CE2-CG2 3.74Å |
| 108 | Q | 93.9 | Very high | 84.3 | Confident | 41 Ų | 41 | 44.2 Ų | 44.2 | 19% | 0.192 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 132.4 | 178.4 | -153 | -176.5 | 26.6 | 0 | 0 | 109.9 | W69 L70 A121 S122 E124 | W69-Q108 CarbonylContact C-O 3.57Å; W69-Q108 WeakPolarHBondContact CA-O 3.37Å; L70-Q108 HydrophobicContact CB-CB 4.18Å; L70-Q108 PolarHBondContact N-O 2.78Å; L70-Q108 PolarHBondContact O-N 3.44Å; Q108-A121 HydrophobicContact CG-CB 4.01Å; Q108-S122 VanDerWaalsContact CG-O 3.26Å; Q108-S122 WeakPolarHBondContact CG-O 3.37Å; Q108-S122 PolarHBondContact NE2-O 2.94Å; Q108-E124 HydrophobicContact CB-CG 4.28Å; Q108-E124 HydrophobicContact CG-CG 4.06Å |
| 109 | C | 93.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 119 | 175.1 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | F38 C57 W69 A121 S122 | F38-C109 HydrophobicContact CE1-CB 4.26Å; F38-C109 WeakPolarHBondContact CE1-O 3.49Å; F38-C109 VanDerWaalsContact CZ-O 3.3Å; F38-C109 WeakPolarHBondContact CZ-O 3.2Å; C57-C109 HydrophobicContact CB-CB 3.64Å; C57-C109 WeakPolarHBondContact CB-SG 3.25Å; C57-C109 WeakPolarHBondContact SG-CB 3.23Å; C57-C109 CovalentContact SG-SG 2.03Å; C57-C109 PolarHBondContact SG-SG 2.77Å; W69-C109 HydrophobicContact CD2-CB 4.18Å; W69-C109 HydrophobicContact CE3-CB 4.24Å; W69-C109 HydrophobicContact CH2-CB 4Å; W69-C109 HydrophobicContact CZ2-CB 3.95Å; W69-C109 HydrophobicContact CZ3-CB 4.15Å; C109-A121 CarbonylContact O-C 3.54Å; C109-A121 VanDerWaalsContact O-CA 3.29Å; C109-A121 WeakPolarHBondContact O-CA 3.18Å; C109-S122 PolarHBondContact N-OG 2.85Å; C109-S122 PolarHBondContact O-N 3.01Å |
| 110 | Q | 92.1 | Very high | 84.6 | Confident | 49 Ų | 49 | 49.5 Ų | 49.5 | 23% | 0.229 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 121.6 | 175.5 | -178.8 | 178.9 | 58 | 0 | 0 | 109.6 | Y67 S68 T119 | Y67-Q110 WeakPolarHBondContact CA-O 3.03Å; S68-Q110 PolarHBondContact N-O 2.82Å; S68-Q110 WeakPolarHBondContact O-CA 3.26Å; S68-Q110 PolarHBondContact O-N 3.19Å; S68-Q110 PolarHBondContact OG-OE1 3.01Å; Q110-T119 HydrophobicContact CG-CG2 3.7Å |
| 111 | A | 89.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F36 F38 V59 I65 Y66 Y67 T119 T120 | F36-A111 HydrophobicContact CD2-CB 4.35Å; F36-A111 HydrophobicContact CE2-CB 3.54Å; F36-A111 HydrophobicContact CZ-CB 4.18Å; F36-A111 VanDerWaalsContact CZ-O 3.31Å; F36-A111 WeakPolarHBondContact CZ-O 3.26Å; F38-A111 HydrophobicContact CE1-CB 4.04Å; F38-A111 HydrophobicContact CZ-CB 3.85Å; V59-A111 HydrophobicContact CG1-CB 3.84Å; I65-A111 HydrophobicContact CG2-CB 3.89Å; Y66-A111 WeakPolarHBondContact O-CA 3.42Å; Y67-A111 HydrophobicContact CD1-CB 4.17Å; Y67-A111 HydrophobicContact CE1-CB 4.34Å; A111-T119 WeakPolarHBondContact O-CA 3.34Å; A111-T120 PolarHBondContact N-O 3.38Å; A111-T120 PolarHBondContact O-N 2.82Å; A111-T120 VanDerWaalsContact O-O 3.11Å |
| 112 | L | 87.9 | Confident | 85.8 | Confident | 51 Ų | 51 | 45.9 Ų | 45.9 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.9 | -176.7 | 158 | 66.5 | 0 | 0 | 0 | 109 | I65 Y66 R114 T117 T119 | I65-L112 CarbonylContact C-O 3.57Å; I65-L112 WeakPolarHBondContact CA-O 3.37Å; Y66-L112 HydrophobicContact CD1-CB 4.38Å; Y66-L112 HydrophobicContact CD1-CD2 4.13Å; Y66-L112 PolarHBondContact N-O 2.69Å; Y66-L112 PolarHBondContact O-N 2.92Å; L112-R114 PolarHBondContact O-N 3.28Å; L112-T117 WeakPolarHBondContact CD1-O 3.48Å; L112-T119 HydrophobicContact CB-CG2 4.44Å; L112-T119 VanDerWaalsContact CD1-OG1 3.29Å; L112-T119 WeakPolarHBondContact CD1-OG1 3.49Å |
| 113 | N | 82.5 | Confident | 86.1 | Confident | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.118 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 116.9 | 167.7 | 177.9 | -19.7 | 0 | 0 | 0 | 108.9 | D34 F36 I65 S115 S116 T117 F118 | D34-N113 PolarHBondContact O-ND2 3.03Å; F36-N113 HydrophobicContact CD1-CB 3.84Å; F36-N113 HydrophobicContact CE1-CB 3.49Å; F36-N113 VanDerWaalsContact CE1-CB 3.49Å; I65-N113 HydrophobicContact CD1-CB 4.02Å; N113-S115 PolarHBondContact O-N 2.93Å; N113-S115 WeakPolarHBondContact OD1-CA 3.3Å; N113-S115 WeakPolarHBondContact OD1-CB 3.45Å; N113-S115 PolarHBondContact OD1-N 3.06Å; N113-S116 WeakPolarHBondContact CB-OG 3.42Å; N113-S116 PolarHBondContact ND2-OG 3.25Å; N113-S116 VanDerWaalsContact ND2-OG 3.14Å; N113-S116 PolarHBondContact OD1-N 3.31Å; N113-T117 WeakPolarHBondContact O-CA 3.29Å; N113-T117 PolarHBondContact O-N 3.09Å; N113-F118 PolarHBondContact N-O 3.05Å |
| 114 | R | 78.1 | Confident | 86.2 | Confident | 162 Ų | 162 | 52.9 Ų | 52.9 | 61% | 0.611 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -23.7 | -177.6 | -64.5 | 168.9 | -173.3 | -124.1 | 7.1 | 113.2 | D64 I65 L112 | D64-R114 VanDerWaalsContact O-CB 3.28Å; D64-R114 WeakPolarHBondContact O-CB 3.46Å; D64-R114 WeakPolarHBondContact O-CD 3.24Å; D64-R114 WeakPolarHBondContact O-CG 3.4Å; D64-R114 PolarHBondContact O-N 3.25Å; I65-R114 PolarHBondContact O-NE 2.75Å; L112-R114 PolarHBondContact O-N 3.28Å |
| 115 | S | 71.1 | Confident | 86.3 | Confident | 92 Ų | 92 | 50.8 Ų | 50.8 | 64% | 0.643 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -35.7 | -172.6 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | N113 | N113-S115 PolarHBondContact O-N 2.93Å; N113-S115 WeakPolarHBondContact OD1-CA 3.3Å; N113-S115 WeakPolarHBondContact OD1-CB 3.45Å; N113-S115 PolarHBondContact OD1-N 3.06Å |
| 116 | S | 70.6 | Confident | 86.3 | Confident | 27 Ų | 27 | 55.3 Ų | 55.3 | 19% | 0.189 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -7.5 | 178 | 65 | 0 | 0 | 0 | 0 | 114.6 | D34 N113 F118 | D34-S116 WeakPolarHBondContact OD2-CB 3.09Å; N113-S116 WeakPolarHBondContact CB-OG 3.42Å; N113-S116 PolarHBondContact ND2-OG 3.25Å; N113-S116 VanDerWaalsContact ND2-OG 3.14Å; N113-S116 PolarHBondContact OD1-N 3.31Å; S116-F118 PolarHBondContact O-N 3.03Å; S116-F118 WeakPolarHBondContact OG-CB 3.19Å; S116-F118 PolarHBondContact OG-N 2.62Å |
| 117 | T | 74.3 | Confident | 86.2 | Confident | 108 Ų | 108 | 53.2 Ų | 53.2 | 66% | 0.663 | 27% | 0.27 | S | S | * | . | trans | 56.6 | 2.9 | -166.7 | 73.6 | 0 | 0 | 0 | 0 | 116.1 | L112 N113 T119 | L112-T117 WeakPolarHBondContact CD1-O 3.48Å; N113-T117 WeakPolarHBondContact O-CA 3.29Å; N113-T117 PolarHBondContact O-N 3.09Å; T117-T119 PolarHBondContact O-N 3.06Å; T117-T119 PolarHBondContact O-OG1 2.96Å | ||
| 118 | F | 77.4 | Confident | 85.7 | Confident | 89 Ų | 89 | 55.9 Ų | 55.9 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | trans | -57.9 | 130.1 | 174 | -176.5 | -111.3 | 0 | 0 | 0 | 110.7 | D34 F36 N113 S116 T120 | D34-F118 WeakPolarHBondContact O-CD1 3.38Å; F36-F118 HydrophobicContact CD1-CD1 4.12Å; F36-F118 AromaticContact CE1-CD1 3.55Å; F36-F118 HydrophobicContact CE1-CD1 3.55Å; F36-F118 HydrophobicContact CE1-CE1 4.25Å; F36-F118 HydrophobicContact CE1-CG 4.49Å; F36-F118 WeakPolarHBondContact CE1-O 3.26Å; F36-F118 HydrophobicContact CZ-CD1 4.07Å; F36-F118 HydrophobicContact CZ-CE1 4.45Å; N113-F118 PolarHBondContact N-O 3.05Å; S116-F118 PolarHBondContact O-N 3.03Å; S116-F118 WeakPolarHBondContact OG-CB 3.19Å; S116-F118 PolarHBondContact OG-N 2.62Å; F118-T120 HydrophobicContact CE1-CG2 4.05Å | ||
| 119 | T | 81.5 | Confident | 85.1 | Confident | 62 Ų | 62 | 54.4 Ų | 54.4 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 134.4 | -175.3 | -55.7 | 0 | 0 | 0 | 0 | 109.3 | Q110 A111 L112 T117 | Q110-T119 HydrophobicContact CG-CG2 3.7Å; A111-T119 WeakPolarHBondContact O-CA 3.34Å; L112-T119 HydrophobicContact CB-CG2 4.44Å; L112-T119 VanDerWaalsContact CD1-OG1 3.29Å; L112-T119 WeakPolarHBondContact CD1-OG1 3.49Å; T117-T119 PolarHBondContact O-N 3.06Å; T117-T119 PolarHBondContact O-OG1 2.96Å |
| 120 | T | 86.4 | Confident | 83.9 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 30% | 0.301 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 167 | 173.3 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | F36 F38 A111 F118 | F36-T120 HydrophobicContact CD2-CG2 4.11Å; F36-T120 HydrophobicContact CE2-CG2 3.33Å; F36-T120 HydrophobicContact CZ-CG2 3.7Å; F38-T120 HydrophobicContact CE2-CG2 3.89Å; A111-T120 PolarHBondContact N-O 3.38Å; A111-T120 PolarHBondContact O-N 2.82Å; A111-T120 VanDerWaalsContact O-O 3.11Å; F118-T120 HydrophobicContact CE1-CG2 4.05Å |
| 121 | A | 89.6 | Confident | 82.6 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 27% | 0.273 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151.4 | -176 | 0 | 0 | 0 | 0 | 0 | 111.7 | F38 Q108 C109 | F38-A121 WeakPolarHBondContact CE2-O 3.33Å; F38-A121 VanDerWaalsContact CZ-C 3.49Å; Q108-A121 HydrophobicContact CG-CB 4.01Å; C109-A121 CarbonylContact O-C 3.54Å; C109-A121 VanDerWaalsContact O-CA 3.29Å; C109-A121 WeakPolarHBondContact O-CA 3.18Å |
| 122 | S | 91.7 | Very high | 81.1 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | trans | -70.8 | 179.3 | -177.9 | 69.1 | 0 | 0 | 0 | 0 | 112.3 | F38 P42 Q108 C109 | F38-S122 VanDerWaalsContact CZ-N 3.33Å; P42-S122 VanDerWaalsContact CD-OG 3.32Å; P42-S122 WeakPolarHBondContact CD-OG 3.5Å; Q108-S122 VanDerWaalsContact CG-O 3.26Å; Q108-S122 WeakPolarHBondContact CG-O 3.37Å; Q108-S122 PolarHBondContact NE2-O 2.94Å; C109-S122 PolarHBondContact N-OG 2.85Å; C109-S122 PolarHBondContact O-N 3.01Å | ||
| 123 | R | 91.2 | Very high | 79.7 | Confident | 124 Ų | 124 | 62 Ų | 62 | 47% | 0.468 | 31% | 0.308 | S | S | . | . | trans | -55.7 | 145.6 | 155.9 | -171.3 | -175.9 | 162.3 | 155.5 | -3.2 | 109.6 | N1153 | R123-N1153 PolarHBondContact NH1-ND2 3.15Š| ||
| 124 | E | 90.8 | Very high | 78.2 | Confident | 92 Ų | 92 | 63.8 Ų | 63.8 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | trans | -73.4 | 143.1 | 167.7 | -65.2 | -169.1 | -176.2 | 0 | 0 | 111.1 | T106 Y107 Q108 | T106-E124 VanDerWaalsContact CB-OE2 3.26Å; T106-E124 WeakPolarHBondContact CB-OE2 3.47Å; T106-E124 WeakPolarHBondContact CG2-OE2 3.38Å; T106-E124 PolarHBondContact OG1-OE2 3.48Å; Y107-E124 CarbonylContact O-C 3.54Å; Y107-E124 WeakPolarHBondContact O-CA 3.44Å; Q108-E124 HydrophobicContact CB-CG 4.28Å; Q108-E124 HydrophobicContact CG-CG 4.06Å | ||
| 125 | A | 91 | Very high | 77.2 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | P42 N43 D44 T106 Y107 | P42-A125 HydrophobicContact CB-CB 3.58Å; P42-A125 HydrophobicContact CG-CB 3.82Å; N43-A125 VanDerWaalsContact C-CB 3.48Å; N43-A125 WeakPolarHBondContact O-CB 3.36Å; D44-A125 WeakPolarHBondContact OD1-CA 3.26Å; T106-A125 CarbonylContact C-O 3.45Å; T106-A125 WeakPolarHBondContact CA-O 3.47Å; Y107-A125 PolarHBondContact N-O 3.27Å; Y107-A125 PolarHBondContact O-N 3.32Å |
| 126 | K | 90.8 | Very high | 76.8 | Confident | 111 Ų | 111 | 57.3 Ų | 57.3 | 48% | 0.483 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 120.2 | 174.1 | -165.6 | -172.2 | -174.6 | -146.3 | 0 | 110.2 | D44 Q45 N128 | D44-K126 CarbonylContact C-O 3.51Å; D44-K126 WeakPolarHBondContact CA-O 3.44Å; D44-K126 HydrophobicContact CB-CB 4.48Å; D44-K126 WeakPolarHBondContact CB-O 3.46Å; D44-K126 PolarHBondContact OD1-N 3.17Å; Q45-K126 PolarHBondContact N-O 2.73Å; K126-N128 WeakPolarHBondContact CE-OD1 3.44Å; K126-N128 PolarHBondContact NZ-OD1 2.88Å |
| 127 | V | 91.2 | Very high | 76.8 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 125.6 | 170.1 | 172.6 | 0 | 0 | 0 | 0 | 108.5 | Q45 L53 L55 D103 P104 G105 Y107 I129 | Q45-V127 WeakPolarHBondContact O-CA 3.42Å; L53-V127 HydrophobicContact CD1-CG2 4.2Å; L53-V127 HydrophobicContact CD2-CG1 3.78Å; L53-V127 HydrophobicContact CD2-CG2 4.1Å; L55-V127 HydrophobicContact CD1-CG2 4.13Å; L55-V127 HydrophobicContact CD2-CG2 4.15Å; D103-V127 WeakPolarHBondContact O-CG1 3.41Å; P104-V127 WeakPolarHBondContact CA-O 3.36Å; G105-V127 PolarHBondContact N-O 3.39Å; G105-V127 PolarHBondContact O-N 2.86Å; Y107-V127 HydrophobicContact CD2-CB 3.96Å; Y107-V127 HydrophobicContact CD2-CG2 3.53Å; Y107-V127 HydrophobicContact CE2-CB 3.83Å; Y107-V127 HydrophobicContact CE2-CG1 4.36Å; Y107-V127 HydrophobicContact CE2-CG2 3.74Å; V127-I129 HydrophobicContact CG1-CD1 3.54Å; V127-I129 HydrophobicContact CG1-CG1 4.26Å |
| 128 | N | 84.1 | Confident | 76.8 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.2 | 166.6 | -39.9 | -78.6 | 0 | 0 | 0 | 108.1 | Q45 D46 V47 K126 | Q45-N128 PolarHBondContact O-N 3.39Å; Q45-N128 VanDerWaalsContact O-N 3.1Å; D46-N128 WeakPolarHBondContact CA-O 3.41Å; D46-N128 WeakPolarHBondContact OD1-CB 3.39Å; D46-N128 PolarHBondContact OD1-ND2 3.13Å; V47-N128 PolarHBondContact N-O 2.96Å; K126-N128 WeakPolarHBondContact CE-OD1 3.44Å; K126-N128 PolarHBondContact NZ-OD1 2.88Å |
| 129 | I | 80.3 | Confident | 76.9 | Confident | 11 Ų | 11 | 54.4 Ų | 54.4 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 113 | 176.6 | -53 | -54.4 | 0 | 0 | 0 | 108.6 | V47 E49 A98 R100 D103 P104 V127 | V47-I129 HydrophobicContact CB-CD1 3.94Å; V47-I129 CarbonylContact O-C 3.49Å; V47-I129 VanDerWaalsContact O-CA 3.27Å; V47-I129 WeakPolarHBondContact O-CA 3.22Å; E49-I129 HydrophobicContact CB-CG2 3.96Å; A98-I129 HydrophobicContact CB-CD1 3.71Å; R100-I129 HydrophobicContact CB-CB 4.23Å; R100-I129 HydrophobicContact CB-CG2 3.96Å; D103-I129 HydrophobicContact CB-CD1 4.43Å; D103-I129 HydrophobicContact CB-CG1 4.21Å; P104-I129 HydrophobicContact CG-CB 4.24Å; P104-I129 HydrophobicContact CG-CG1 4.04Å; V127-I129 HydrophobicContact CG1-CD1 3.54Å; V127-I129 HydrophobicContact CG1-CG1 4.26Å |
| 130 | Y | 69.8 | Low | 76.9 | Confident | 80 Ų | 80 | 52.8 Ų | 52.8 | 31% | 0.314 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 164.5 | 173.7 | 68.2 | -96.3 | 0 | 0 | 0 | 110.7 | D46 V47 E48 E49 P165 | D46-Y130 HydrophobicContact CB-CD1 4.2Å; D46-Y130 HydrophobicContact CB-CE1 4.26Å; V47-Y130 VanDerWaalsContact C-CE1 3.49Å; V47-Y130 WeakPolarHBondContact O-CD1 3.41Å; V47-Y130 PolarHBondContact O-N 3.34Å; E48-Y130 CarbonylContact C-O 3.54Å; E48-Y130 HydrophobicContact CB-CD2 4.33Å; E48-Y130 HydrophobicContact CB-CE1 4.44Å; E48-Y130 HydrophobicContact CB-CE2 3.62Å; E48-Y130 HydrophobicContact CG-CE2 4.05Å; E49-Y130 PolarHBondContact N-O 2.9Å; Y130-P165 HydrophobicContact CD2-CG 4.32Å |
| 131 | W | 64 | Low | 76.7 | Confident | 82 Ų | 82 | 53.7 Ų | 53.7 | 31% | 0.311 | 27% | 0.268 | S | S | . | . | trans | -142.9 | 149.9 | 179.5 | 60.4 | 90.8 | 0 | 0 | 0 | 110 | E49 R100 N164 | E49-W131 HydrophobicContact CB-CB 4.33Å; R100-W131 HydrophobicContact CB-CE3 4.16Å; R100-W131 HydrophobicContact CB-CZ3 4.4Å; R100-W131 HydrophobicContact CG-CE3 4.46Å; R100-W131 VanDerWaalsContact NH1-NE1 3.16Å; W131-N164 PolarHBondContact NE1-ND2 3.42Å; W131-N164 CarbonylContact O-C 3.41Å; W131-N164 PolarHBondContact O-ND2 2.93Å; W131-N164 VanDerWaalsContact O-O 3.14Å | ||
| 132 | M | 59.3 | Low | 76.1 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 15% | 0.153 | 28% | 0.279 | C | S | . | . | trans | -70.7 | 133.4 | 161 | -66.4 | -176.2 | -68.7 | 0 | 0 | 110 | N164 A213 A214 E375 P377 | M132-N164 VanDerWaalsContact CA-O 3.31Å; M132-N164 WeakPolarHBondContact CA-O 3.41Å; M132-A213 HydrophobicContact CG-CB 4.44Å; M132-A213 HydrophobicContact SD-CB 4.27Å; M132-A214 HydrophobicContact CB-CB 4.47Å; M132-A214 HydrophobicContact CG-CB 4.37Å; M132-A214 VanDerWaalsContact SD-CA 3.5Å; M132-A214 HydrophobicContact SD-CB 3.68Å; M132-E375 HydrophobicContact CE-CB 4.18Å; M132-E375 WeakPolarHBondContact CE-O 3.36Å; M132-P377 HydrophobicContact CE-CG 3.78Å; M132-P377 HydrophobicContact SD-CG 3.34Å; M132-P377 WeakPolarHBondContact SD-CG 3.31Å | ||
| 133 | D | 58.8 | Low | 75.3 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 35% | 0.353 | 28% | 0.279 | S | S | . | . | trans | -76.9 | 126.5 | 158.5 | -130.5 | -47.9 | 0 | 0 | 0 | 108.2 | D135 N164 | D133-D135 PolarHBondContact O-N 3.28Å; D133-N164 HydrophobicContact CB-CB 4.15Å; D133-N164 PolarHBondContact N-O 3.32Å; D133-N164 VanDerWaalsContact N-O 3.13Å | ||
| 134 | P | 50.9 | Low | 74.3 | Confident | 59 Ų | 59 | 55 Ų | 55 | 38% | 0.383 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -64.7 | -27.6 | 176.4 | 26.5 | -35.6 | 0 | 0 | 0 | 112.4 | V136 T390 | P134-V136 PolarHBondContact O-N 2.8Å; P134-T390 HydrophobicContact CB-CG2 4.05Å |
| 135 | D | 57.2 | Low | 73.2 | Confident | 110 Ų | 110 | 57.4 Ų | 57.4 | 59% | 0.588 | 28% | 0.284 | S | S | * | . | trans | -95.9 | 60.8 | -177.4 | -64.6 | -41.2 | 0 | 0 | 0 | 111.4 | D133 H137 | D133-D135 PolarHBondContact O-N 3.28Å; D135-H137 PolarHBondContact O-N 3.43Å | ||
| 136 | V | 61.2 | Low | 72.1 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 5% | 0.048 | 30% | 0.303 | C | S | . | . | trans | -63.5 | 127.2 | 167.1 | 176.3 | 0 | 0 | 0 | 0 | 108.8 | P134 V138 K162 A163 A214 L217 | P134-V136 PolarHBondContact O-N 2.8Å; V136-V138 HydrophobicContact CG1-CG2 4.47Å; V136-K162 WeakPolarHBondContact CA-O 3.47Å; V136-A163 HydrophobicContact CG1-CB 4.09Å; V136-A163 HydrophobicContact CG2-CB 3.98Å; V136-A214 HydrophobicContact CG2-CB 4.14Å; V136-L217 HydrophobicContact CB-CD1 4.14Å; V136-L217 HydrophobicContact CB-CD2 3.96Å; V136-L217 HydrophobicContact CG1-CD1 4Å; V136-L217 HydrophobicContact CG1-CD2 4.06Å; V136-L217 HydrophobicContact CG1-CG 4.48Å; V136-L217 VanDerWaalsContact O-CD2 3.24Å; V136-L217 WeakPolarHBondContact O-CD2 3.18Å | ||
| 137 | H | 70.5 | Confident | 71.1 | Confident | 109 Ų | 109 | 61.3 Ų | 61.3 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.3 | 179.9 | -67.6 | -39.1 | 0 | 0 | 0 | 111.3 | D135 V161 K162 | D135-H137 PolarHBondContact O-N 3.43Å; H137-V161 CarbonylContact O-C 3.53Å; H137-V161 WeakPolarHBondContact O-CA 3.35Å; H137-K162 HydrophobicContact CB-CB 4.35Å; H137-K162 PolarHBondContact N-O 2.84Å; H137-K162 PolarHBondContact O-N 2.87Å |
| 138 | V | 74.4 | Confident | 70.2 | Confident | 16 Ų | 16 | 65 Ų | 65 | 10% | 0.097 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.4 | 179.2 | -167.9 | 0 | 0 | 0 | 0 | 107.8 | V136 V161 A210 L217 | V136-V138 HydrophobicContact CG1-CG2 4.47Å; V138-V161 HydrophobicContact CG1-CG2 4.32Å; V138-V161 HydrophobicContact CG2-CG1 4.4Å; V138-A210 HydrophobicContact CB-CB 4.48Å; V138-A210 HydrophobicContact CG1-CB 4.17Å; V138-A210 HydrophobicContact CG2-CB 3.43Å; V138-A210 VanDerWaalsContact CG2-CB 3.43Å; V138-L217 HydrophobicContact CG2-CB 3.53Å |
| 139 | S | 81.1 | Confident | 69.8 | Low | 38 Ų | 38 | 62.4 Ų | 62.4 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 140.9 | -172.4 | 52.3 | 0 | 0 | 0 | 0 | 111.4 | N160 | S139-N160 PolarHBondContact N-O 2.81Å; S139-N160 PolarHBondContact O-N 3.19Å; S139-N160 PolarHBondContact OG-ND2 2.76Å; S139-N160 PolarHBondContact OG-O 2.76Å; S139-N160 VanDerWaalsContact OG-O 3.06Å |
| 140 | L | 81.2 | Confident | 69.5 | Low | 28 Ų | 28 | 68.4 Ų | 68.4 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 135.5 | 169.6 | -58.2 | 178.4 | 0 | 0 | 0 | 109 | T158 W174 Y206 C208 S219 F223 | L140-T158 WeakPolarHBondContact CA-O 3.44Å; L140-W174 HydrophobicContact CD2-CH2 3.48Å; L140-W174 VanDerWaalsContact CD2-CH2 3.48Å; L140-W174 HydrophobicContact CD2-CZ2 4.47Å; L140-W174 HydrophobicContact CD2-CZ3 3.54Å; L140-Y206 WeakPolarHBondContact CD1-O 3.26Å; L140-C208 HydrophobicContact CD2-CB 4.26Å; L140-S219 WeakPolarHBondContact CD2-OG 3.27Å; L140-S219 WeakPolarHBondContact CG-OG 3.45Å; L140-F223 HydrophobicContact CB-CD1 4.35Å; L140-F223 HydrophobicContact CB-CD2 3.9Å; L140-F223 HydrophobicContact CB-CE1 4.01Å; L140-F223 HydrophobicContact CB-CE2 3.49Å; L140-F223 VanDerWaalsContact CB-CE2 3.49Å; L140-F223 HydrophobicContact CB-CG 4.3Å; L140-F223 HydrophobicContact CB-CZ 3.57Å; L140-F223 HydrophobicContact CD1-CB 4.06Å; L140-F223 HydrophobicContact CD1-CD1 4.28Å; L140-F223 HydrophobicContact CD1-CD2 3.63Å; L140-F223 HydrophobicContact CD1-CE2 4.15Å; L140-F223 HydrophobicContact CD1-CG 3.69Å; L140-F223 VanDerWaalsContact CD1-N 3.26Å; L140-F223 HydrophobicContact CG-CD2 4.23Å; L140-F223 HydrophobicContact CG-CE2 4.27Å |
| 141 | V | 80.9 | Confident | 69.7 | Low | 68 Ų | 68 | 68.2 Ų | 68.2 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | -24.8 | -167.5 | -178.5 | 0 | 0 | 0 | 0 | 114.5 | T158 N160 | V141-T158 HydrophobicContact CB-CG2 4.05Å; V141-T158 PolarHBondContact N-O 2.91Å; V141-N160 HydrophobicContact CG2-CB 3.45Å; V141-N160 VanDerWaalsContact CG2-CB 3.45Å |
| 142 | K | 78.1 | Confident | 70.2 | Confident | 119 Ų | 119 | 66.7 Ų | 66.7 | 52% | 0.517 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 147.3 | 173.8 | -60.1 | -174.4 | 178.8 | -178.2 | 0 | 109.6 | L157 T158 F223 | K142-L157 CarbonylContact O-C 3.55Å; K142-L157 VanDerWaalsContact O-CA 3.24Å; K142-L157 WeakPolarHBondContact O-CA 3.37Å; K142-T158 PolarHBondContact O-N 3.14Å; K142-F223 WeakPolarHBondContact O-CE2 3.41Å |
| 143 | P | 73.9 | Confident | 71.3 | Confident | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.032 | 36% | 0.356 | C | S | . | . | cis | -60.8 | 148.8 | -4.2 | 25.8 | -34.8 | 0 | 0 | 0 | 111.8 | D148 I149 L157 F223 L235 | P143-D148 HydrophobicContact CB-CB 3.67Å; P143-I149 HydrophobicContact CB-CD1 4.38Å; P143-I149 HydrophobicContact CB-CG1 4.06Å; P143-I149 HydrophobicContact CG-CD1 3.79Å; P143-I149 HydrophobicContact CG-CG1 3.89Å; P143-L157 VanDerWaalsContact CD-CD2 3.41Å; P143-L157 HydrophobicContact CG-CD2 4.22Å; P143-F223 VanDerWaalsContact O-CZ 3.26Å; P143-F223 WeakPolarHBondContact O-CZ 3.5Å; P143-L235 HydrophobicContact CB-CD2 4.47Å; P143-L235 HydrophobicContact CG-CD2 4.2Å | ||
| 144 | S | 70.4 | Confident | 72.5 | Confident | 66 Ų | 66 | 70.4 Ų | 70.4 | 46% | 0.462 | 36% | 0.357 | S | S | . | . | trans | -103.4 | -12.7 | -178.4 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | D148 M237 | S144-D148 PolarHBondContact N-OD2 3.3Å; S144-D148 PolarHBondContact OG-OD2 3.39Å; S144-M237 WeakPolarHBondContact O-CE 3.42Å | ||
| 145 | R | 69 | Low | 74.2 | Confident | 143 Ų | 143 | 67.8 Ų | 67.8 | 54% | 0.54 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -138.5 | 155.1 | 174.1 | -52.8 | -172.4 | -173.9 | -174 | 1 | 109.5 | E147 D148 | R145-E147 HydrophobicContact CB-CB 4.01Å; R145-E147 WeakPolarHBondContact CD-OE2 3.3Å; R145-E147 IonicContact CZ-OE2 3.91Å; R145-E147 IonicContact NE-OE2 3.58Å; R145-E147 IonicContact NH1-OE2 2.67Å; R145-E147 PolarHBondContact NH1-OE2 2.88Å; R145-E147 PolarHBondContact O-N 3.5Å; R145-D148 PolarHBondContact N-OD2 2.84Å; R145-D148 WeakPolarHBondContact O-CB 3.47Å; R145-D148 PolarHBondContact O-N 2.96Å |
| 146 | Y | 66.6 | Low | 75.7 | Confident | 105 Ų | 105 | 65.1 Ų | 65.1 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -63.8 | -29.2 | 168.5 | 71.2 | -74.9 | 0 | 0 | 0 | 111.6 | D148 I149 | Y146-D148 PolarHBondContact O-N 3.43Å; Y146-D148 VanDerWaalsContact O-N 3.11Å; Y146-I149 WeakPolarHBondContact O-CB 3.45Å; Y146-I149 PolarHBondContact O-N 3.44Å |
| 147 | E | 70.3 | Confident | 77 | Confident | 89 Ų | 89 | 64.8 Ų | 64.8 | 42% | 0.416 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -53 | -25.7 | 171.3 | -71.2 | 146.4 | -147.8 | 0 | 0 | 114.1 | R145 I149 | R145-E147 HydrophobicContact CB-CB 4.01Å; R145-E147 WeakPolarHBondContact CD-OE2 3.3Å; R145-E147 IonicContact CZ-OE2 3.91Å; R145-E147 IonicContact NE-OE2 3.58Å; R145-E147 IonicContact NH1-OE2 2.67Å; R145-E147 PolarHBondContact NH1-OE2 2.88Å; R145-E147 PolarHBondContact O-N 3.5Å; E147-I149 VanDerWaalsContact C-N 3.26Å; E147-I149 PolarHBondContact O-N 2.82Å |
| 148 | D | 72.7 | Confident | 77.9 | Confident | 76 Ų | 76 | 60.5 Ų | 60.5 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -80.6 | -2.2 | 178.7 | -52.5 | -32.4 | 0 | 0 | 0 | 112.5 | P143 S144 R145 Y146 | P143-D148 HydrophobicContact CB-CB 3.67Å; S144-D148 PolarHBondContact N-OD2 3.3Å; S144-D148 PolarHBondContact OG-OD2 3.39Å; R145-D148 PolarHBondContact N-OD2 2.84Å; R145-D148 WeakPolarHBondContact O-CB 3.47Å; R145-D148 PolarHBondContact O-N 2.96Å; Y146-D148 PolarHBondContact O-N 3.43Å; Y146-D148 VanDerWaalsContact O-N 3.11Å |
| 149 | I | 75.3 | Confident | 78.6 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | trans | -120 | 122.4 | -175 | -50.7 | 176.3 | 0 | 0 | 0 | 109.2 | P143 Y146 E147 V155 F198 I225 P233 L235 | P143-I149 HydrophobicContact CB-CD1 4.38Å; P143-I149 HydrophobicContact CB-CG1 4.06Å; P143-I149 HydrophobicContact CG-CD1 3.79Å; P143-I149 HydrophobicContact CG-CG1 3.89Å; Y146-I149 WeakPolarHBondContact O-CB 3.45Å; Y146-I149 PolarHBondContact O-N 3.44Å; E147-I149 VanDerWaalsContact C-N 3.26Å; E147-I149 PolarHBondContact O-N 2.82Å; I149-V155 HydrophobicContact CG1-CG1 4.43Å; I149-V155 HydrophobicContact CG2-CG2 4.19Å; I149-F198 HydrophobicContact CG2-CD1 3.82Å; I149-F198 HydrophobicContact CG2-CD2 4.36Å; I149-F198 HydrophobicContact CG2-CE1 3.81Å; I149-F198 HydrophobicContact CG2-CE2 4.33Å; I149-F198 HydrophobicContact CG2-CG 4.13Å; I149-F198 HydrophobicContact CG2-CZ 4.09Å; I149-I225 HydrophobicContact CD1-CD1 4.14Å; I149-I225 HydrophobicContact CD1-CG1 4.23Å; I149-I225 HydrophobicContact CD1-CG2 3.88Å; I149-I225 HydrophobicContact CG2-CG2 4.35Å; I149-P233 HydrophobicContact CB-CG 4.29Å; I149-P233 HydrophobicContact CG2-CB 4.28Å; I149-P233 HydrophobicContact CG2-CG 3.78Å; I149-L235 HydrophobicContact CD1-CB 4.17Å; I149-L235 HydrophobicContact CD1-CD1 4.37Å | ||
| 150 | R | 73.7 | Confident | 78.8 | Confident | 136 Ų | 136 | 61.4 Ų | 61.4 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | trans | -141.2 | 143.7 | 179.3 | -64.9 | 171.9 | -179.4 | -179.9 | 2.9 | 111.3 | G152 E153 | R150-G152 PolarHBondContact O-N 2.87Å; R150-E153 HydrophobicContact CB-CB 4.17Å; R150-E153 HydrophobicContact CB-CG 4.14Å; R150-E153 WeakPolarHBondContact CD-OE1 3.21Å; R150-E153 WeakPolarHBondContact CD-OE2 3.2Å; R150-E153 IonicContact CZ-OE1 2.79Å; R150-E153 IonicContact NE-OE1 3.86Å; R150-E153 IonicContact NH1-OE1 2.91Å; R150-E153 PolarHBondContact NH1-OE1 2.89Å; R150-E153 IonicContact NH1-OE2 2.73Å; R150-E153 PolarHBondContact NH1-OE2 3.21Å; R150-E153 PolarHBondContact O-N 2.85Å | ||
| 151 | L | 74.3 | Confident | 78.9 | Confident | 76 Ų | 76 | 61.6 Ų | 61.6 | 40% | 0.398 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 131.3 | 170.8 | -79.3 | 175.8 | 0 | 0 | 0 | 110.9 | E153 M227 D231 | L151-E153 VanDerWaalsContact C-N 3.28Å; L151-E153 PolarHBondContact O-N 3.02Å; L151-M227 HydrophobicContact CD1-CE 3.82Å; L151-M227 HydrophobicContact CD2-CE 3.81Å; L151-M227 HydrophobicContact CD2-SD 3.76Å; L151-M227 HydrophobicContact CG-CE 4.17Å; L151-M227 HydrophobicContact CG-SD 4.45Å; L151-D231 WeakPolarHBondContact CD1-OD1 3.44Å |
| 152 | G | 74.6 | Confident | 78.8 | Confident | 51 Ų | 51 | 62.9 Ų | 62.9 | 53% | 0.526 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -12.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116 | R150 F198 | R150-G152 PolarHBondContact O-N 2.87Å; G152-F198 PolarHBondContact N-O 3.29Å |
| 153 | E | 82.8 | Confident | 78.3 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -94.9 | 165.8 | 178.8 | -65.9 | -170.1 | -152.9 | 0 | 0 | 112.6 | R150 L151 F198 | R150-E153 HydrophobicContact CB-CB 4.17Å; R150-E153 HydrophobicContact CB-CG 4.14Å; R150-E153 WeakPolarHBondContact CD-OE1 3.21Å; R150-E153 WeakPolarHBondContact CD-OE2 3.2Å; R150-E153 IonicContact CZ-OE1 2.79Å; R150-E153 IonicContact NE-OE1 3.86Å; R150-E153 IonicContact NH1-OE1 2.91Å; R150-E153 PolarHBondContact NH1-OE1 2.89Å; R150-E153 IonicContact NH1-OE2 2.73Å; R150-E153 PolarHBondContact NH1-OE2 3.21Å; R150-E153 PolarHBondContact O-N 2.85Å; L151-E153 VanDerWaalsContact C-N 3.28Å; L151-E153 PolarHBondContact O-N 3.02Å; E153-F198 PolarHBondContact O-N 2.85Å |
| 154 | E | 84.4 | Confident | 77.9 | Confident | 78 Ų | 78 | 60 Ų | 60 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | trans | -77.2 | 131.2 | 175 | 178.3 | 179.6 | 155.4 | 0 | 0 | 111 | R188 R194 I195 | E154-R188 IonicContact OE1-CZ 3.79Å; E154-R188 IonicContact OE1-NH2 2.83Å; E154-R188 PolarHBondContact OE1-NH2 2.82Å; E154-R194 HydrophobicContact CG-CG 4.11Å; E154-R194 WeakPolarHBondContact OE1-CD 3.26Å; E154-R194 WeakPolarHBondContact OE1-CG 3.45Å; E154-R194 IonicContact OE1-CZ 3.94Å; E154-R194 IonicContact OE1-NE 3.22Å; E154-R194 PolarHBondContact OE1-NE 2.97Å; E154-R194 IonicContact OE1-NH2 3.81Å; E154-R194 IonicContact OE2-CZ 3.84Å; E154-R194 VanDerWaalsContact OE2-CZ 3.29Å; E154-R194 IonicContact OE2-NE 3.74Å; E154-R194 PolarHBondContact OE2-NE 2.86Å; E154-R194 IonicContact OE2-NH2 3.68Å; E154-R194 PolarHBondContact OE2-NH2 3.01Å; E154-I195 CarbonylContact C-O 3.54Å; E154-I195 WeakPolarHBondContact CA-O 3.43Å | ||
| 155 | V | 86.5 | Confident | 77.6 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.4 | 177 | 177 | 0 | 0 | 0 | 0 | 109.9 | I149 L157 I195 F198 | I149-V155 HydrophobicContact CG1-CG1 4.43Å; I149-V155 HydrophobicContact CG2-CG2 4.19Å; V155-L157 HydrophobicContact CG1-CD2 3.99Å; V155-I195 HydrophobicContact CB-CB 4.42Å; V155-I195 PolarHBondContact N-O 3.01Å; V155-I195 WeakPolarHBondContact O-CB 3.37Å; V155-I195 PolarHBondContact O-N 3.29Å; V155-F198 HydrophobicContact CB-CB 4.43Å; V155-F198 HydrophobicContact CB-CD2 4.21Å; V155-F198 HydrophobicContact CG2-CB 3.73Å; V155-F198 HydrophobicContact CG2-CD2 4.07Å; V155-F198 HydrophobicContact CG2-CG 4.03Å |
| 156 | E | 88.3 | Confident | 77.6 | Confident | 55 Ų | 55 | 57 Ų | 57 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 115.6 | 176.5 | -174.5 | 178.7 | 138.8 | 0 | 0 | 111.8 | R188 N192 L193 | E156-R188 VanDerWaalsContact OE2-CD 3.26Å; E156-R188 WeakPolarHBondContact OE2-CD 3.03Å; E156-R188 IonicContact OE2-CZ 2.73Å; E156-R188 IonicContact OE2-NE 3.98Å; E156-R188 PolarHBondContact OE2-NE 2.73Å; E156-R188 IonicContact OE2-NH2 2.69Å; E156-N192 HydrophobicContact CG-CB 4.1Å; E156-N192 PolarHBondContact OE1-ND2 3.25Å; E156-L193 CarbonylContact C-O 3.52Å; E156-L193 WeakPolarHBondContact CA-O 3.02Å |
| 157 | L | 88.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 120.6 | 169.5 | -42.7 | -172.6 | 0 | 0 | 0 | 109.3 | K142 P143 V155 W174 N192 L193 Y206 I225 | K142-L157 CarbonylContact O-C 3.55Å; K142-L157 VanDerWaalsContact O-CA 3.24Å; K142-L157 WeakPolarHBondContact O-CA 3.37Å; P143-L157 VanDerWaalsContact CD-CD2 3.41Å; P143-L157 HydrophobicContact CG-CD2 4.22Å; V155-L157 HydrophobicContact CG1-CD2 3.99Å; L157-W174 HydrophobicContact CB-CE3 4.32Å; L157-W174 HydrophobicContact CB-CH2 3.27Å; L157-W174 HydrophobicContact CB-CZ2 3.96Å; L157-W174 HydrophobicContact CB-CZ3 3.49Å; L157-W174 VanDerWaalsContact CB-CZ3 3.49Å; L157-W174 HydrophobicContact CD1-CE3 4.24Å; L157-W174 HydrophobicContact CD1-CH2 4.49Å; L157-W174 HydrophobicContact CD1-CZ3 3.84Å; L157-W174 HydrophobicContact CG-CZ3 4.34Å; L157-W174 WeakPolarHBondContact O-CH2 3.37Å; L157-W174 WeakPolarHBondContact O-CZ2 3.28Å; L157-N192 WeakPolarHBondContact O-CB 3.22Å; L157-L193 HydrophobicContact CB-CB 4.24Å; L157-L193 HydrophobicContact CD1-CD2 4Å; L157-L193 HydrophobicContact CG-CD2 4.44Å; L157-L193 PolarHBondContact N-O 3.08Å; L157-L193 PolarHBondContact O-N 3.37Å; L157-Y206 HydrophobicContact CD1-CD1 3.29Å; L157-Y206 HydrophobicContact CD1-CD2 4.05Å; L157-Y206 HydrophobicContact CD1-CE1 3.71Å; L157-Y206 HydrophobicContact CD1-CE2 4.4Å; L157-Y206 HydrophobicContact CD1-CG 3.47Å; L157-Y206 VanDerWaalsContact CD1-CG 3.47Å; L157-I225 HydrophobicContact CD2-CD1 4.21Å |
| 158 | T | 89.5 | Confident | 77.9 | Confident | 20 Ų | 20 | 52.3 Ų | 52.3 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 127.8 | -178.8 | -66.9 | 0 | 0 | 0 | 0 | 112.4 | L140 V141 K142 N192 | L140-T158 WeakPolarHBondContact CA-O 3.44Å; V141-T158 HydrophobicContact CB-CG2 4.05Å; V141-T158 PolarHBondContact N-O 2.91Å; K142-T158 PolarHBondContact O-N 3.14Å; T158-N192 WeakPolarHBondContact CA-OD1 3.24Å; T158-N192 PolarHBondContact OG1-ND2 2.87Å; T158-N192 VanDerWaalsContact OG1-ND2 3.13Å |
| 159 | C | 87.9 | Confident | 78.1 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 116.4 | 174.3 | -174.1 | 0 | 0 | 0 | 0 | 109.8 | I172 W174 N192 C208 | C159-I172 HydrophobicContact CB-CG2 3.93Å; C159-W174 HydrophobicContact CB-CH2 4.21Å; C159-W174 HydrophobicContact CB-CZ2 3.48Å; C159-W174 VanDerWaalsContact CB-CZ2 3.48Å; C159-N192 PolarHBondContact N-OD1 2.86Å; C159-C208 HydrophobicContact CB-CB 3.61Å; C159-C208 WeakPolarHBondContact CB-SG 3.47Å; C159-C208 WeakPolarHBondContact SG-CB 3.33Å; C159-C208 CovalentContact SG-SG 2.03Å; C159-C208 PolarHBondContact SG-SG 2.93Å |
| 160 | N | 86.3 | Confident | 77.9 | Confident | 64 Ų | 64 | 55 Ų | 55 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 117.2 | 177.9 | 173.1 | 43.2 | 0 | 0 | 0 | 109.9 | S139 V141 | S139-N160 PolarHBondContact N-O 2.81Å; S139-N160 PolarHBondContact O-N 3.19Å; S139-N160 PolarHBondContact OG-ND2 2.76Å; S139-N160 PolarHBondContact OG-O 2.76Å; S139-N160 VanDerWaalsContact OG-O 3.06Å; V141-N160 HydrophobicContact CG2-CB 3.45Å; V141-N160 VanDerWaalsContact CG2-CB 3.45Å |
| 161 | V | 82.3 | Confident | 78.1 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 19% | 0.194 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 117.5 | -179.2 | -169.2 | 0 | 0 | 0 | 0 | 110.1 | H137 V138 A163 L167 I172 A210 | H137-V161 CarbonylContact O-C 3.53Å; H137-V161 WeakPolarHBondContact O-CA 3.35Å; V138-V161 HydrophobicContact CG1-CG2 4.32Å; V138-V161 HydrophobicContact CG2-CG1 4.4Å; V161-A163 HydrophobicContact CG1-CB 4.45Å; V161-L167 HydrophobicContact CG1-CD1 3.66Å; V161-L167 HydrophobicContact CG1-CD2 4.21Å; V161-L167 HydrophobicContact CG1-CG 4.49Å; V161-I172 HydrophobicContact CG2-CD1 3.81Å; V161-I172 HydrophobicContact CG2-CG1 4.12Å; V161-A210 HydrophobicContact CG1-CB 3.76Å; V161-A210 HydrophobicContact CG2-CB 3.93Å |
| 162 | K | 79.3 | Confident | 78.6 | Confident | 94 Ų | 94 | 48.8 Ų | 48.8 | 41% | 0.409 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.5 | 168 | -62.1 | 178.3 | -179.5 | 172.9 | 0 | 108.3 | V136 H137 S414 | V136-K162 WeakPolarHBondContact CA-O 3.47Å; H137-K162 HydrophobicContact CB-CB 4.35Å; H137-K162 PolarHBondContact N-O 2.84Å; H137-K162 PolarHBondContact O-N 2.87Å; K162-S414 PolarHBondContact NZ-OG 3.33Å |
| 163 | A | 68 | Low | 78.9 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | trans | -160 | 152.7 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | V136 V161 L167 | V136-A163 HydrophobicContact CG1-CB 4.09Å; V136-A163 HydrophobicContact CG2-CB 3.98Å; V161-A163 HydrophobicContact CG1-CB 4.45Å; A163-L167 HydrophobicContact CB-CD1 3.39Å | ||
| 164 | N | 63.8 | Low | 79 | Confident | 41 Ų | 41 | 46.9 Ų | 46.9 | 22% | 0.219 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -122.6 | 135.6 | 164.2 | -165.9 | 64.4 | 0 | 0 | 0 | 109.3 | W131 M132 D133 H212 | W131-N164 PolarHBondContact NE1-ND2 3.42Å; W131-N164 CarbonylContact O-C 3.41Å; W131-N164 PolarHBondContact O-ND2 2.93Å; W131-N164 VanDerWaalsContact O-O 3.14Å; M132-N164 VanDerWaalsContact CA-O 3.31Å; M132-N164 WeakPolarHBondContact CA-O 3.41Å; D133-N164 HydrophobicContact CB-CB 4.15Å; D133-N164 PolarHBondContact N-O 3.32Å; D133-N164 VanDerWaalsContact N-O 3.13Å; N164-H212 PolarHBondContact O-CE1 2.97Å; N164-H212 PolarHBondContact O-NE2 3.12Å |
| 165 | P | 66 | Low | 78.8 | Confident | 41 Ų | 41 | 43.6 Ų | 43.6 | 27% | 0.266 | 25% | 0.254 | S | S | . | . | S | Bend | cis | -58.4 | 154.7 | -16.6 | 27.9 | -35.8 | 0 | 0 | 0 | 111.4 | Y130 H212 | Y130-P165 HydrophobicContact CD2-CG 4.32Å; P165-H212 PolarHBondContact O-CD2 3.29Å; P165-H212 PolarHBondContact O-NE2 2.76Å |
| 166 | P | 68 | Low | 78.5 | Confident | 106 Ų | 106 | 44.1 Ų | 44.1 | 69% | 0.688 | 26% | 0.256 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 146.1 | 179.5 | -25.2 | 34.9 | 0 | 0 | 0 | 113 | ||
| 167 | L | 69.6 | Low | 77.7 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -76 | 141.9 | 175.9 | -76.8 | 77.1 | 0 | 0 | 0 | 111.2 | V161 A163 N171 A210 I211 H212 | V161-L167 HydrophobicContact CG1-CD1 3.66Å; V161-L167 HydrophobicContact CG1-CD2 4.21Å; V161-L167 HydrophobicContact CG1-CG 4.49Å; A163-L167 HydrophobicContact CB-CD1 3.39Å; L167-N171 HydrophobicContact CD2-CB 4.04Å; L167-A210 HydrophobicContact CD2-CB 3.66Å; L167-I211 WeakPolarHBondContact CD2-O 3.42Å; L167-H212 HydrophobicContact CD1-CB 4.03Å; L167-H212 VanDerWaalsContact CD1-CD2 3.42Å; L167-H212 WeakPolarHBondContact CD1-CD2 3.44Å; L167-H212 HydrophobicContact CD2-CB 4.38Å; L167-H212 HydrophobicContact CG-CB 4.31Å |
| 168 | S | 73.9 | Confident | 76.6 | Confident | 66 Ų | 66 | 43.4 Ų | 43.4 | 46% | 0.462 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 139 | 157.3 | 175.9 | 0 | 0 | 0 | 0 | 110 | A170 N171 | S168-A170 PolarHBondContact O-N 3.01Å; S168-A170 VanDerWaalsContact O-N 3.09Å; S168-A170 PolarHBondContact OG-N 3.05Å; S168-N171 WeakPolarHBondContact O-CB 3.33Å; S168-N171 PolarHBondContact O-N 3.24Å |
| 169 | P | 77.2 | Confident | 75.4 | Confident | 55 Ų | 55 | 46.2 Ų | 46.2 | 36% | 0.357 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -50.8 | -30.9 | 172.4 | -32 | 38.5 | 0 | 0 | 0 | 114.5 | N171 I172 S189 | P169-N171 PolarHBondContact O-N 2.82Å; P169-N171 VanDerWaalsContact O-N 3.12Å; P169-I172 PolarHBondContact O-N 3.05Å; P169-S189 WeakPolarHBondContact CB-O 3.35Å; P169-S189 WeakPolarHBondContact CG-O 3.25Å |
| 170 | A | 71.4 | Confident | 74.3 | Confident | 78 Ų | 78 | 48.4 Ų | 48.4 | 65% | 0.645 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -62.6 | -16.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | S168 | S168-A170 PolarHBondContact O-N 3.01Å; S168-A170 VanDerWaalsContact O-N 3.09Å; S168-A170 PolarHBondContact OG-N 3.05Å |
| 171 | N | 77.1 | Confident | 73.2 | Confident | 63 Ų | 63 | 56 Ų | 56 | 34% | 0.337 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -92.2 | -2.5 | 176.5 | -70.9 | 8.9 | 0 | 0 | 0 | 113.2 | L167 S168 P169 I211 | L167-N171 HydrophobicContact CD2-CB 4.04Å; S168-N171 WeakPolarHBondContact O-CB 3.33Å; S168-N171 PolarHBondContact O-N 3.24Å; P169-N171 PolarHBondContact O-N 2.82Å; P169-N171 VanDerWaalsContact O-N 3.12Å; N171-I211 HydrophobicContact CB-CB 4.06Å; N171-I211 VanDerWaalsContact CB-O 3.24Å; N171-I211 WeakPolarHBondContact CB-O 3.31Å; N171-I211 PolarHBondContact ND2-O 2.87Å; N171-I211 PolarHBondContact O-N 3.23Å |
| 172 | I | 84.5 | Confident | 72.6 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 10% | 0.097 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 120.7 | 172.1 | -57.7 | 177.6 | 0 | 0 | 0 | 108.1 | C159 V161 P169 G191 C208 R209 | C159-I172 HydrophobicContact CB-CG2 3.93Å; V161-I172 HydrophobicContact CG2-CD1 3.81Å; V161-I172 HydrophobicContact CG2-CG1 4.12Å; P169-I172 PolarHBondContact O-N 3.05Å; I172-G191 WeakPolarHBondContact CG2-O 3.33Å; I172-C208 HydrophobicContact CG2-CB 4.29Å; I172-R209 WeakPolarHBondContact CA-O 3.49Å |
| 173 | K | 80.8 | Confident | 71.7 | Confident | 104 Ų | 104 | 53.6 Ų | 53.6 | 45% | 0.452 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 153.6 | 177 | -60.1 | -169.8 | 178.6 | -173.8 | 0 | 109.9 | F175 C208 R209 I211 | K173-F175 HydrophobicContact CB-CE2 4.02Å; K173-C208 CarbonylContact O-C 3.57Å; K173-C208 WeakPolarHBondContact O-CA 3.21Å; K173-R209 HydrophobicContact CB-CB 4.46Å; K173-R209 PolarHBondContact N-O 3.36Å; K173-R209 PolarHBondContact O-N 2.85Å; K173-I211 HydrophobicContact CD-CD1 4Å; K173-I211 HydrophobicContact CG-CD1 4.47Å |
| 174 | W | 86.1 | Confident | 71.8 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 1% | 0.011 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 154 | 177 | -73.4 | 81.1 | 0 | 0 | 0 | 111.5 | L140 L157 C159 L182 F187 G191 L193 C208 | L140-W174 HydrophobicContact CD2-CH2 3.48Å; L140-W174 VanDerWaalsContact CD2-CH2 3.48Å; L140-W174 HydrophobicContact CD2-CZ2 4.47Å; L140-W174 HydrophobicContact CD2-CZ3 3.54Å; L157-W174 HydrophobicContact CB-CE3 4.32Å; L157-W174 HydrophobicContact CB-CH2 3.27Å; L157-W174 HydrophobicContact CB-CZ2 3.96Å; L157-W174 HydrophobicContact CB-CZ3 3.49Å; L157-W174 VanDerWaalsContact CB-CZ3 3.49Å; L157-W174 HydrophobicContact CD1-CE3 4.24Å; L157-W174 HydrophobicContact CD1-CH2 4.49Å; L157-W174 HydrophobicContact CD1-CZ3 3.84Å; L157-W174 HydrophobicContact CG-CZ3 4.34Å; L157-W174 WeakPolarHBondContact O-CH2 3.37Å; L157-W174 WeakPolarHBondContact O-CZ2 3.28Å; C159-W174 HydrophobicContact CB-CH2 4.21Å; C159-W174 HydrophobicContact CB-CZ2 3.48Å; C159-W174 VanDerWaalsContact CB-CZ2 3.48Å; W174-L182 HydrophobicContact CB-CD1 3.61Å; W174-L182 WeakPolarHBondContact O-CD1 3.48Å; W174-F187 HydrophobicContact CB-CE1 4.04Å; W174-F187 AromaticContact CD1-CE1 3.76Å; W174-F187 HydrophobicContact CG-CE1 4.26Å; W174-G191 PolarHBondContact NE1-O 2.96Å; W174-L193 HydrophobicContact CB-CD1 4.16Å; W174-L193 HydrophobicContact CB-CD2 4.26Å; W174-L193 HydrophobicContact CD2-CB 3.71Å; W174-L193 HydrophobicContact CD2-CD2 4.33Å; W174-L193 HydrophobicContact CE3-CB 4.29Å; W174-L193 HydrophobicContact CE3-CD2 4.37Å; W174-L193 HydrophobicContact CG-CB 3.84Å; W174-L193 HydrophobicContact CG-CD1 4.25Å; W174-L193 HydrophobicContact CG-CD2 4.34Å; W174-L193 HydrophobicContact CG-CG 4.38Å; W174-L193 HydrophobicContact CZ2-CB 4.18Å; W174-C208 HydrophobicContact CD2-CB 3.74Å; W174-C208 HydrophobicContact CE3-CB 4Å; W174-C208 HydrophobicContact CG-CB 4.25Å; W174-C208 HydrophobicContact CH2-CB 4.28Å; W174-C208 HydrophobicContact CZ2-CB 4.05Å; W174-C208 HydrophobicContact CZ3-CB 4.24Å |
| 175 | F | 78.4 | Confident | 72.6 | Confident | 10 Ų | 10 | 57 Ų | 57 | 4% | 0.044 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 142.8 | -179.4 | -65.8 | -101.3 | 0 | 0 | 0 | 109.7 | K173 N179 A180 Y206 H207 R209 L282 | K173-F175 HydrophobicContact CB-CE2 4.02Å; F175-N179 CarbonylContact C-O 3.58Å; F175-N179 VanDerWaalsContact CA-O 3.24Å; F175-N179 WeakPolarHBondContact CA-O 3.44Å; F175-A180 HydrophobicContact CD1-CB 3.87Å; F175-A180 HydrophobicContact CE1-CB 3.57Å; F175-A180 HydrophobicContact CZ-CB 4.24Å; F175-Y206 VanDerWaalsContact O-CA 3.32Å; F175-Y206 WeakPolarHBondContact O-CA 3.37Å; F175-H207 WeakPolarHBondContact CB-CE1 3.42Å; F175-H207 WeakPolarHBondContact CB-NE2 3.42Å; F175-H207 AromaticContact CD2-NE2 3.95Å; F175-H207 AromaticContact CG-NE2 3.75Å; F175-H207 PolarHBondContact N-O 2.83Å; F175-H207 PolarHBondContact O-N 3.25Å; F175-R209 HydrophobicContact CD2-CB 4.42Å; F175-R209 HydrophobicContact CE2-CB 3.91Å; F175-L282 HydrophobicContact CD1-CD2 3.62Å; F175-L282 HydrophobicContact CD1-CG 3.76Å; F175-L282 HydrophobicContact CD2-CD2 3.74Å; F175-L282 HydrophobicContact CE1-CB 4.16Å; F175-L282 HydrophobicContact CE1-CD2 3.46Å; F175-L282 VanDerWaalsContact CE1-CD2 3.46Å; F175-L282 HydrophobicContact CE1-CG 3.53Å; F175-L282 HydrophobicContact CE2-CD2 3.62Å; F175-L282 HydrophobicContact CG-CD2 3.77Å; F175-L282 HydrophobicContact CG-CG 4.38Å; F175-L282 HydrophobicContact CZ-CB 4.44Å; F175-L282 HydrophobicContact CZ-CD2 3.49Å; F175-L282 VanDerWaalsContact CZ-CD2 3.49Å; F175-L282 HydrophobicContact CZ-CG 4.01Å |
| 176 | H | 80.8 | Confident | 73.4 | Confident | 15 Ų | 15 | 59.9 Ų | 59.9 | 7% | 0.069 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 127.8 | 177.9 | 164.8 | -117.3 | 0 | 0 | 0 | 109.3 | G178 N179 L182 E201 T203 S205 Y206 | H176-G178 PolarHBondContact O-N 2.71Å; H176-G178 VanDerWaalsContact O-N 3.14Å; H176-N179 PolarHBondContact N-O 2.88Å; H176-N179 WeakPolarHBondContact O-CB 3.25Å; H176-N179 PolarHBondContact O-N 3.17Å; H176-L182 HydrophobicContact CB-CD2 3.29Å; H176-L182 HydrophobicContact CB-CG 4.31Å; H176-E201 PolarHBondContact CE1-O 2.98Å; H176-T203 PolarHBondContact CE1-O 3.07Å; H176-T203 PolarHBondContact NE2-O 3.33Å; H176-S205 CarbonylContact C-O 3.58Å; H176-S205 WeakPolarHBondContact CA-O 3.21Å; H176-Y206 HydrophobicContact CB-CD1 3.91Å; H176-Y206 HydrophobicContact CB-CE1 3.72Å; H176-Y206 AromaticContact CD2-CD2 3.94Å; H176-Y206 AromaticContact CD2-CE1 3.78Å; H176-Y206 AromaticContact CD2-CE2 3.43Å; H176-Y206 VanDerWaalsContact CD2-CE2 3.43Å; H176-Y206 WeakPolarHBondContact CD2-CE2 3.4Å; H176-Y206 AromaticContact CD2-CZ 3.34Å; H176-Y206 AromaticContact CG-CE1 3.97Å; H176-Y206 AromaticContact CG-CZ 3.93Å; H176-Y206 AromaticContact NE2-CZ 3.93Å |
| 177 | N | 72.2 | Confident | 74 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 19% | 0.193 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 40.8 | -174.3 | -63.4 | -31.8 | 0 | 0 | 0 | 112 | N179 T203 G204 S205 I331 | N177-N179 PolarHBondContact O-N 2.88Å; N177-N179 PolarHBondContact O-ND2 2.8Å; N177-T203 PolarHBondContact ND2-O 2.9Å; N177-G204 WeakPolarHBondContact OD1-CA 3.29Å; N177-S205 PolarHBondContact N-O 2.8Å; N177-S205 PolarHBondContact OD1-N 2.83Å; N177-I331 HydrophobicContact CB-CD1 4Å |
| 178 | G | 64.5 | Low | 74.6 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -14.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | H176 | H176-G178 PolarHBondContact O-N 2.71Å; H176-G178 VanDerWaalsContact O-N 3.14Å |
| 179 | N | 65.1 | Low | 74.7 | Confident | 79 Ų | 79 | 66.3 Ų | 66.3 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -91.8 | 136.3 | -172.7 | -69.2 | -78.7 | 0 | 0 | 0 | 112.8 | F175 H176 N177 R181 | F175-N179 CarbonylContact C-O 3.58Å; F175-N179 VanDerWaalsContact CA-O 3.24Å; F175-N179 WeakPolarHBondContact CA-O 3.44Å; H176-N179 PolarHBondContact N-O 2.88Å; H176-N179 WeakPolarHBondContact O-CB 3.25Å; H176-N179 PolarHBondContact O-N 3.17Å; N177-N179 PolarHBondContact O-N 2.88Å; N177-N179 PolarHBondContact O-ND2 2.8Å; N179-R181 PolarHBondContact O-N 2.97Å |
| 180 | A | 65.3 | Low | 74.8 | Confident | 54 Ų | 54 | 67.5 Ų | 67.5 | 45% | 0.446 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -76.5 | -7.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F175 | F175-A180 HydrophobicContact CD1-CB 3.87Å; F175-A180 HydrophobicContact CE1-CB 3.57Å; F175-A180 HydrophobicContact CZ-CB 4.24Å |
| 181 | R | 62 | Low | 75.3 | Confident | 225 Ų | 225 | 63.9 Ų | 63.9 | 85% | 0.849 | 33% | 0.325 | S | S | * | . | trans | -98.1 | 95.6 | 179.1 | -74 | -175.9 | 175.7 | 179.8 | -1 | 109.2 | N179 | N179-R181 PolarHBondContact O-N 2.97Š| ||
| 182 | L | 69.5 | Low | 76 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | trans | -89.7 | 116.6 | 177.1 | -65.8 | 141.8 | 0 | 0 | 0 | 108.5 | W174 H176 T185 F187 L193 Y206 | W174-L182 HydrophobicContact CB-CD1 3.61Å; W174-L182 WeakPolarHBondContact O-CD1 3.48Å; H176-L182 HydrophobicContact CB-CD2 3.29Å; H176-L182 HydrophobicContact CB-CG 4.31Å; L182-T185 HydrophobicContact CB-CG2 3.93Å; L182-T185 WeakPolarHBondContact CB-OG1 3.41Å; L182-F187 HydrophobicContact CD1-CZ 4.28Å; L182-L193 HydrophobicContact CD1-CD1 3.91Å; L182-L193 HydrophobicContact CD1-CD2 4.2Å; L182-L193 HydrophobicContact CD2-CD2 3.89Å; L182-Y206 HydrophobicContact CD2-CD1 4.03Å; L182-Y206 HydrophobicContact CD2-CE1 3.63Å | ||
| 183 | P | 60.7 | Low | 76.2 | Confident | 53 Ų | 53 | 60.3 Ų | 60.3 | 34% | 0.344 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | 144.9 | 175.9 | 29.6 | -33.9 | 0 | 0 | 0 | 110.3 | T185 E201 H202 | P183-T185 VanDerWaalsContact O-CG2 3.23Å; P183-T185 WeakPolarHBondContact O-CG2 3.32Å; P183-T185 PolarHBondContact O-N 3.2Å; P183-E201 HydrophobicContact CG-CG 4.45Å; P183-H202 PolarHBondContact O-NE2 3.12Å |
| 184 | N | 70.8 | Confident | 76.6 | Confident | 110 Ų | 110 | 58.2 Ų | 58.2 | 59% | 0.588 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 22.9 | 171.6 | -55.7 | -24.4 | 0 | 0 | 0 | 116.7 | E201 | N184-E201 PolarHBondContact ND2-OE1 2.7Š|
| 185 | T | 81 | Confident | 76.7 | Confident | 25 Ų | 25 | 58 Ų | 58 | 15% | 0.153 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 150.3 | 179.2 | 69.3 | 0 | 0 | 0 | 0 | 114.2 | L182 P183 L193 R194 I195 | L182-T185 HydrophobicContact CB-CG2 3.93Å; L182-T185 WeakPolarHBondContact CB-OG1 3.41Å; P183-T185 VanDerWaalsContact O-CG2 3.23Å; P183-T185 WeakPolarHBondContact O-CG2 3.32Å; P183-T185 PolarHBondContact O-N 3.2Å; T185-L193 HydrophobicContact CG2-CD1 4.44Å; T185-L193 HydrophobicContact CG2-CD2 4.16Å; T185-L193 HydrophobicContact CG2-CG 4.35Å; T185-R194 CarbonylContact C-O 3.59Å; T185-R194 VanDerWaalsContact CA-O 3.24Å; T185-R194 WeakPolarHBondContact CA-O 3.36Å; T185-R194 WeakPolarHBondContact CB-O 3.4Å; T185-I195 HydrophobicContact CG2-CB 4.44Å; T185-I195 HydrophobicContact CG2-CD1 4.5Å; T185-I195 HydrophobicContact CG2-CG1 3.81Å; T185-I195 HydrophobicContact CG2-CG2 4.48Å |
| 186 | E | 81.4 | Confident | 77 | Confident | 100 Ų | 100 | 59.4 Ų | 59.4 | 47% | 0.467 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 158.6 | 173.9 | -61.3 | 174.3 | 168.4 | 0 | 0 | 111.2 | R194 | E186-R194 HydrophobicContact CB-CB 4.34Å; E186-R194 PolarHBondContact N-O 3.01Å; E186-R194 PolarHBondContact O-N 3.13Å; E186-R194 IonicContact OE1-NH1 2.69Å; E186-R194 WeakPolarHBondContact OE2-CD 3.48Å; E186-R194 IonicContact OE2-CZ 2.8Å; E186-R194 IonicContact OE2-NE 3.62Å; E186-R194 IonicContact OE2-NH1 2.8Å; E186-R194 PolarHBondContact OE2-NH1 2.92Å |
| 187 | F | 82.7 | Confident | 77.1 | Confident | 118 Ų | 118 | 62.9 Ų | 62.9 | 52% | 0.518 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127 | 170.3 | -60.4 | -87.6 | 0 | 0 | 0 | 109.8 | W174 L182 N192 L193 | W174-F187 HydrophobicContact CB-CE1 4.04Å; W174-F187 AromaticContact CD1-CE1 3.76Å; W174-F187 HydrophobicContact CG-CE1 4.26Å; L182-F187 HydrophobicContact CD1-CZ 4.28Å; F187-N192 WeakPolarHBondContact CA-O 3.32Å; F187-L193 HydrophobicContact CD1-CD1 4.02Å; F187-L193 HydrophobicContact CE1-CD1 3.79Å; F187-L193 HydrophobicContact CZ-CD1 4.17Å |
| 188 | R | 81.2 | Confident | 77.6 | Confident | 100 Ų | 100 | 61.3 Ų | 61.3 | 38% | 0.377 | 32% | 0.321 | S | S | . | . | trans | -75.5 | 158.4 | 169.9 | -71.2 | -164.4 | -175.6 | -90.7 | 3.4 | 110.5 | E154 E156 N190 G191 N192 R194 | E154-R188 IonicContact OE1-CZ 3.79Å; E154-R188 IonicContact OE1-NH2 2.83Å; E154-R188 PolarHBondContact OE1-NH2 2.82Å; E156-R188 VanDerWaalsContact OE2-CD 3.26Å; E156-R188 WeakPolarHBondContact OE2-CD 3.03Å; E156-R188 IonicContact OE2-CZ 2.73Å; E156-R188 IonicContact OE2-NE 3.98Å; E156-R188 PolarHBondContact OE2-NE 2.73Å; E156-R188 IonicContact OE2-NH2 2.69Å; R188-N190 VanDerWaalsContact CB-OD1 3.3Å; R188-N190 WeakPolarHBondContact CB-OD1 3.48Å; R188-N190 PolarHBondContact O-N 2.69Å; R188-G191 PolarHBondContact O-N 3Å; R188-N192 HydrophobicContact CB-CB 4.42Å; R188-N192 PolarHBondContact N-O 2.83Å; R188-R194 HydrophobicContact CG-CB 4.4Å | ||
| 189 | S | 76.1 | Confident | 78.3 | Confident | 120 Ų | 120 | 61.6 Ų | 61.6 | 84% | 0.839 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -11.8 | -176.7 | 53.3 | 0 | 0 | 0 | 0 | 115.4 | P169 | P169-S189 WeakPolarHBondContact CB-O 3.35Å; P169-S189 WeakPolarHBondContact CG-O 3.25Å |
| 190 | N | 79.7 | Confident | 78.7 | Confident | 79 Ų | 79 | 63.3 Ų | 63.3 | 42% | 0.422 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -3.7 | 173.3 | 65.6 | -11.8 | 0 | 0 | 0 | 114 | R188 N192 | R188-N190 VanDerWaalsContact CB-OD1 3.3Å; R188-N190 WeakPolarHBondContact CB-OD1 3.48Å; R188-N190 PolarHBondContact O-N 2.69Å; N190-N192 PolarHBondContact ND2-ND2 2.93Å; N190-N192 WeakPolarHBondContact OD1-CB 3.01Å; N190-N192 PolarHBondContact OD1-N 2.89Å |
| 191 | G | 82.3 | Confident | 79 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 92.6 | 3.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | I172 W174 R188 | I172-G191 WeakPolarHBondContact CG2-O 3.33Å; W174-G191 PolarHBondContact NE1-O 2.96Å; R188-G191 PolarHBondContact O-N 3Å |
| 192 | N | 90.2 | Very high | 80 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | trans | -73 | 154.5 | 171.8 | -71.1 | -8.5 | 0 | 0 | 0 | 111.7 | E156 L157 T158 C159 F187 R188 N190 | E156-N192 HydrophobicContact CG-CB 4.1Å; E156-N192 PolarHBondContact OE1-ND2 3.25Å; L157-N192 WeakPolarHBondContact O-CB 3.22Å; T158-N192 WeakPolarHBondContact CA-OD1 3.24Å; T158-N192 PolarHBondContact OG1-ND2 2.87Å; T158-N192 VanDerWaalsContact OG1-ND2 3.13Å; C159-N192 PolarHBondContact N-OD1 2.86Å; F187-N192 WeakPolarHBondContact CA-O 3.32Å; R188-N192 HydrophobicContact CB-CB 4.42Å; R188-N192 PolarHBondContact N-O 2.83Å; N190-N192 PolarHBondContact ND2-ND2 2.93Å; N190-N192 WeakPolarHBondContact OD1-CB 3.01Å; N190-N192 PolarHBondContact OD1-N 2.89Å | ||
| 193 | L | 89.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 127.5 | 176.1 | -170.8 | 77.2 | 0 | 0 | 0 | 110.4 | E156 L157 W174 L182 T185 F187 Y206 | E156-L193 CarbonylContact C-O 3.52Å; E156-L193 WeakPolarHBondContact CA-O 3.02Å; L157-L193 HydrophobicContact CB-CB 4.24Å; L157-L193 HydrophobicContact CD1-CD2 4Å; L157-L193 HydrophobicContact CG-CD2 4.44Å; L157-L193 PolarHBondContact N-O 3.08Å; L157-L193 PolarHBondContact O-N 3.37Å; W174-L193 HydrophobicContact CB-CD1 4.16Å; W174-L193 HydrophobicContact CB-CD2 4.26Å; W174-L193 HydrophobicContact CD2-CB 3.71Å; W174-L193 HydrophobicContact CD2-CD2 4.33Å; W174-L193 HydrophobicContact CE3-CB 4.29Å; W174-L193 HydrophobicContact CE3-CD2 4.37Å; W174-L193 HydrophobicContact CG-CB 3.84Å; W174-L193 HydrophobicContact CG-CD1 4.25Å; W174-L193 HydrophobicContact CG-CD2 4.34Å; W174-L193 HydrophobicContact CG-CG 4.38Å; W174-L193 HydrophobicContact CZ2-CB 4.18Å; L182-L193 HydrophobicContact CD1-CD1 3.91Å; L182-L193 HydrophobicContact CD1-CD2 4.2Å; L182-L193 HydrophobicContact CD2-CD2 3.89Å; T185-L193 HydrophobicContact CG2-CD1 4.44Å; T185-L193 HydrophobicContact CG2-CD2 4.16Å; T185-L193 HydrophobicContact CG2-CG 4.35Å; F187-L193 HydrophobicContact CD1-CD1 4.02Å; F187-L193 HydrophobicContact CE1-CD1 3.79Å; F187-L193 HydrophobicContact CZ-CD1 4.17Å; L193-Y206 HydrophobicContact CD2-CD1 4.28Å; L193-Y206 HydrophobicContact CD2-CE1 4.08Å |
| 194 | R | 89.3 | Confident | 81 | Confident | 59 Ų | 59 | 53 Ų | 53 | 22% | 0.223 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 122.2 | 176.3 | 176.9 | -177.3 | -173.7 | -115.9 | -8.2 | 109.3 | E154 T185 E186 R188 | E154-R194 HydrophobicContact CG-CG 4.11Å; E154-R194 WeakPolarHBondContact OE1-CD 3.26Å; E154-R194 WeakPolarHBondContact OE1-CG 3.45Å; E154-R194 IonicContact OE1-CZ 3.94Å; E154-R194 IonicContact OE1-NE 3.22Å; E154-R194 PolarHBondContact OE1-NE 2.97Å; E154-R194 IonicContact OE1-NH2 3.81Å; E154-R194 IonicContact OE2-CZ 3.84Å; E154-R194 VanDerWaalsContact OE2-CZ 3.29Å; E154-R194 IonicContact OE2-NE 3.74Å; E154-R194 PolarHBondContact OE2-NE 2.86Å; E154-R194 IonicContact OE2-NH2 3.68Å; E154-R194 PolarHBondContact OE2-NH2 3.01Å; T185-R194 CarbonylContact C-O 3.59Å; T185-R194 VanDerWaalsContact CA-O 3.24Å; T185-R194 WeakPolarHBondContact CA-O 3.36Å; T185-R194 WeakPolarHBondContact CB-O 3.4Å; E186-R194 HydrophobicContact CB-CB 4.34Å; E186-R194 PolarHBondContact N-O 3.01Å; E186-R194 PolarHBondContact O-N 3.13Å; E186-R194 IonicContact OE1-NH1 2.69Å; E186-R194 WeakPolarHBondContact OE2-CD 3.48Å; E186-R194 IonicContact OE2-CZ 2.8Å; E186-R194 IonicContact OE2-NE 3.62Å; E186-R194 IonicContact OE2-NH1 2.8Å; E186-R194 PolarHBondContact OE2-NH1 2.92Å; R188-R194 HydrophobicContact CG-CB 4.4Å |
| 195 | I | 88.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 108.2 | 170.1 | -48.8 | -176 | 0 | 0 | 0 | 106 | E154 V155 T185 V197 F198 H202 Y206 | E154-I195 CarbonylContact C-O 3.54Å; E154-I195 WeakPolarHBondContact CA-O 3.43Å; V155-I195 HydrophobicContact CB-CB 4.42Å; V155-I195 PolarHBondContact N-O 3.01Å; V155-I195 WeakPolarHBondContact O-CB 3.37Å; V155-I195 PolarHBondContact O-N 3.29Å; T185-I195 HydrophobicContact CG2-CB 4.44Å; T185-I195 HydrophobicContact CG2-CD1 4.5Å; T185-I195 HydrophobicContact CG2-CG1 3.81Å; T185-I195 HydrophobicContact CG2-CG2 4.48Å; I195-V197 VanDerWaalsContact C-N 3.33Å; I195-V197 PolarHBondContact O-N 3.01Å; I195-F198 HydrophobicContact CD1-CD2 3.92Å; I195-F198 HydrophobicContact CD1-CE2 4.08Å; I195-F198 HydrophobicContact CG2-CD2 4.19Å; I195-H202 HydrophobicContact CD1-CB 4.47Å; I195-H202 VanDerWaalsContact CG2-CD2 3.47Å; I195-H202 WeakPolarHBondContact CG2-CD2 3.47Å; I195-Y206 HydrophobicContact CD1-CE1 4.35Å |
| 196 | A | 84 | Confident | 81.4 | Confident | 38 Ų | 38 | 46.8 Ų | 46.8 | 31% | 0.314 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -71.2 | -28.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 197 | V | 83.2 | Confident | 81.4 | Confident | 88 Ų | 88 | 42 Ų | 42 | 53% | 0.533 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -143.5 | 105.5 | 175.6 | -178.1 | 0 | 0 | 0 | 0 | 106.6 | I195 H202 | I195-V197 VanDerWaalsContact C-N 3.33Å; I195-V197 PolarHBondContact O-N 3.01Å; V197-H202 PolarHBondContact O-CE1 2.65Å; V197-H202 VanDerWaalsContact O-CE1 3.28Å |
| 198 | F | 83.5 | Confident | 81.6 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | trans | -73.6 | 142.4 | -180 | -167.5 | -88.5 | 0 | 0 | 0 | 111.5 | I149 G152 E153 V155 I195 H202 I225 | I149-F198 HydrophobicContact CG2-CD1 3.82Å; I149-F198 HydrophobicContact CG2-CD2 4.36Å; I149-F198 HydrophobicContact CG2-CE1 3.81Å; I149-F198 HydrophobicContact CG2-CE2 4.33Å; I149-F198 HydrophobicContact CG2-CG 4.13Å; I149-F198 HydrophobicContact CG2-CZ 4.09Å; G152-F198 PolarHBondContact N-O 3.29Å; E153-F198 PolarHBondContact O-N 2.85Å; V155-F198 HydrophobicContact CB-CB 4.43Å; V155-F198 HydrophobicContact CB-CD2 4.21Å; V155-F198 HydrophobicContact CG2-CB 3.73Å; V155-F198 HydrophobicContact CG2-CD2 4.07Å; V155-F198 HydrophobicContact CG2-CG 4.03Å; I195-F198 HydrophobicContact CD1-CD2 3.92Å; I195-F198 HydrophobicContact CD1-CE2 4.08Å; I195-F198 HydrophobicContact CG2-CD2 4.19Å; F198-H202 HydrophobicContact CD2-CB 3.79Å; F198-H202 HydrophobicContact CE2-CB 3.41Å; F198-H202 VanDerWaalsContact CE2-CB 3.41Å; F198-H202 HydrophobicContact CG-CB 4.49Å; F198-H202 HydrophobicContact CZ-CB 3.8Å; F198-I225 HydrophobicContact CE1-CG2 4.32Å; F198-I225 HydrophobicContact CE2-CD1 4.3Å; F198-I225 HydrophobicContact CE2-CG2 4.31Å; F198-I225 HydrophobicContact CZ-CB 4.5Å; F198-I225 HydrophobicContact CZ-CG2 3.6Å | ||
| 199 | G | 77.9 | Confident | 81.6 | Confident | 10 Ų | 10 | 32.6 Ų | 32.6 | 10% | 0.103 | 19% | 0.188 | C | C | . | . | trans | -160.6 | 173 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E201 H202 | G199-E201 VanDerWaalsContact CA-OE2 3.31Å; G199-E201 WeakPolarHBondContact CA-OE2 3.14Å; G199-E201 PolarHBondContact O-N 2.95Å; G199-H202 PolarHBondContact N-ND1 2.89Å; G199-H202 VanDerWaalsContact N-ND1 3.18Å; G199-H202 WeakPolarHBondContact O-CA 3.21Å; G199-H202 VanDerWaalsContact O-CB 3.29Å; G199-H202 WeakPolarHBondContact O-CB 3.34Å; G199-H202 PolarHBondContact O-N 3.16Å; G199-H202 PolarHBondContact O-ND1 2.96Å | ||
| 200 | I | 73.3 | Confident | 81.6 | Confident | 116 Ų | 116 | 26.9 Ų | 26.9 | 60% | 0.595 | 15% | 0.148 | S | C | * | . | G | 310 helix | trans | -63.8 | -27.6 | -173.5 | -163.1 | 166.7 | 0 | 0 | 0 | 113.5 | H202 T203 M227 | I200-H202 PolarHBondContact O-N 2.92Å; I200-T203 WeakPolarHBondContact O-CB 3.4Å; I200-T203 WeakPolarHBondContact O-CG2 3.26Å; I200-T203 PolarHBondContact O-N 3.13Å; I200-T203 PolarHBondContact O-OG1 3.43Å; I200-M227 VanDerWaalsContact CA-SD 3.53Å; I200-M227 HydrophobicContact CB-CE 4.12Å; I200-M227 HydrophobicContact CB-SD 3.73Å; I200-M227 HydrophobicContact CD1-CE 4.25Å; I200-M227 HydrophobicContact CG1-CE 4.21Å; I200-M227 HydrophobicContact CG1-SD 3.91Å |
| 201 | E | 73.7 | Confident | 81 | Confident | 91 Ų | 91 | 25.1 Ų | 25.1 | 43% | 0.425 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -67 | -17.3 | 173.2 | 78.3 | -81.3 | -147.8 | 0 | 0 | 113.6 | H176 P183 N184 G199 | H176-E201 PolarHBondContact CE1-O 2.98Å; P183-E201 HydrophobicContact CG-CG 4.45Å; N184-E201 PolarHBondContact ND2-OE1 2.7Å; G199-E201 VanDerWaalsContact CA-OE2 3.31Å; G199-E201 WeakPolarHBondContact CA-OE2 3.14Å; G199-E201 PolarHBondContact O-N 2.95Å |
| 202 | H | 81.9 | Confident | 80.3 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -92.5 | 2.4 | 176.4 | -53.6 | 97.5 | 0 | 0 | 0 | 112.8 | P183 I195 V197 F198 G199 I200 Y206 | P183-H202 PolarHBondContact O-NE2 3.12Å; I195-H202 HydrophobicContact CD1-CB 4.47Å; I195-H202 VanDerWaalsContact CG2-CD2 3.47Å; I195-H202 WeakPolarHBondContact CG2-CD2 3.47Å; V197-H202 PolarHBondContact O-CE1 2.65Å; V197-H202 VanDerWaalsContact O-CE1 3.28Å; F198-H202 HydrophobicContact CD2-CB 3.79Å; F198-H202 HydrophobicContact CE2-CB 3.41Å; F198-H202 VanDerWaalsContact CE2-CB 3.41Å; F198-H202 HydrophobicContact CG-CB 4.49Å; F198-H202 HydrophobicContact CZ-CB 3.8Å; G199-H202 PolarHBondContact N-ND1 2.89Å; G199-H202 VanDerWaalsContact N-ND1 3.18Å; G199-H202 WeakPolarHBondContact O-CA 3.21Å; G199-H202 VanDerWaalsContact O-CB 3.29Å; G199-H202 WeakPolarHBondContact O-CB 3.34Å; G199-H202 PolarHBondContact O-N 3.16Å; G199-H202 PolarHBondContact O-ND1 2.96Å; I200-H202 PolarHBondContact O-N 2.92Å; H202-Y206 VanDerWaalsContact O-CE2 3.29Å; H202-Y206 WeakPolarHBondContact O-CE2 3.1Å; H202-Y206 PolarHBondContact O-OH 2.85Å |
| 203 | T | 77.2 | Confident | 78.5 | Confident | 39 Ų | 39 | 27.6 Ų | 27.6 | 24% | 0.239 | 16% | 0.157 | C | C | . | . | trans | -70.5 | 142.7 | 171.8 | 58.5 | 0 | 0 | 0 | 0 | 111 | H176 N177 I200 I225 M227 | H176-T203 PolarHBondContact CE1-O 3.07Å; H176-T203 PolarHBondContact NE2-O 3.33Å; N177-T203 PolarHBondContact ND2-O 2.9Å; I200-T203 WeakPolarHBondContact O-CB 3.4Å; I200-T203 WeakPolarHBondContact O-CG2 3.26Å; I200-T203 PolarHBondContact O-N 3.13Å; I200-T203 PolarHBondContact O-OG1 3.43Å; T203-I225 CarbonylContact C-O 3.6Å; T203-I225 WeakPolarHBondContact CA-O 3.33Å; T203-M227 HydrophobicContact CG2-CB 3.91Å; T203-M227 HydrophobicContact CG2-CG 3.65Å; T203-M227 HydrophobicContact CG2-SD 3.98Å | ||
| 204 | G | 75 | Confident | 76.5 | Confident | 8 Ų | 8 | 29.9 Ų | 29.9 | 8% | 0.082 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 138.1 | -160 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | N177 I225 | N177-G204 WeakPolarHBondContact OD1-CA 3.29Å; G204-I225 PolarHBondContact N-O 2.87Å; G204-I225 PolarHBondContact O-N 3.45Å |
| 205 | S | 76.7 | Confident | 74.7 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 112 | -166.7 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | H176 N177 F223 I331 | H176-S205 CarbonylContact C-O 3.58Å; H176-S205 WeakPolarHBondContact CA-O 3.21Å; N177-S205 PolarHBondContact N-O 2.8Å; N177-S205 PolarHBondContact OD1-N 2.83Å; S205-F223 CarbonylContact C-O 3.51Å; S205-F223 WeakPolarHBondContact CA-O 3.4Å; S205-I331 WeakPolarHBondContact CB-O 3.17Å; S205-I331 PolarHBondContact OG-O 2.77Å |
| 206 | Y | 83.7 | Confident | 73.3 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 137.9 | -175 | -71.6 | -93.1 | 0 | 0 | 0 | 112.5 | L140 L157 F175 H176 L182 L193 I195 H202 P222 F223 I225 | L140-Y206 WeakPolarHBondContact CD1-O 3.26Å; L157-Y206 HydrophobicContact CD1-CD1 3.29Å; L157-Y206 HydrophobicContact CD1-CD2 4.05Å; L157-Y206 HydrophobicContact CD1-CE1 3.71Å; L157-Y206 HydrophobicContact CD1-CE2 4.4Å; L157-Y206 HydrophobicContact CD1-CG 3.47Å; L157-Y206 VanDerWaalsContact CD1-CG 3.47Å; F175-Y206 VanDerWaalsContact O-CA 3.32Å; F175-Y206 WeakPolarHBondContact O-CA 3.37Å; H176-Y206 HydrophobicContact CB-CD1 3.91Å; H176-Y206 HydrophobicContact CB-CE1 3.72Å; H176-Y206 AromaticContact CD2-CD2 3.94Å; H176-Y206 AromaticContact CD2-CE1 3.78Å; H176-Y206 AromaticContact CD2-CE2 3.43Å; H176-Y206 VanDerWaalsContact CD2-CE2 3.43Å; H176-Y206 WeakPolarHBondContact CD2-CE2 3.4Å; H176-Y206 AromaticContact CD2-CZ 3.34Å; H176-Y206 AromaticContact CG-CE1 3.97Å; H176-Y206 AromaticContact CG-CZ 3.93Å; H176-Y206 AromaticContact NE2-CZ 3.93Å; L182-Y206 HydrophobicContact CD2-CD1 4.03Å; L182-Y206 HydrophobicContact CD2-CE1 3.63Å; L193-Y206 HydrophobicContact CD2-CD1 4.28Å; L193-Y206 HydrophobicContact CD2-CE1 4.08Å; I195-Y206 HydrophobicContact CD1-CE1 4.35Å; H202-Y206 VanDerWaalsContact O-CE2 3.29Å; H202-Y206 WeakPolarHBondContact O-CE2 3.1Å; H202-Y206 PolarHBondContact O-OH 2.85Å; Y206-P222 CarbonylContact O-C 3.57Å; Y206-P222 WeakPolarHBondContact O-CA 3.34Å; Y206-P222 WeakPolarHBondContact O-CB 3.36Å; Y206-F223 PolarHBondContact N-O 2.86Å; Y206-F223 PolarHBondContact O-N 2.93Å; Y206-I225 HydrophobicContact CD2-CD1 3.88Å; Y206-I225 HydrophobicContact CD2-CG1 4.3Å; Y206-I225 HydrophobicContact CE2-CD1 3.81Å; Y206-I225 HydrophobicContact CE2-CG1 4.43Å |
| 207 | H | 81.1 | Confident | 72.4 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 152.4 | 166.5 | 57.9 | -74.1 | 0 | 0 | 0 | 111.2 | F175 S219 P222 L282 L333 | F175-H207 WeakPolarHBondContact CB-CE1 3.42Å; F175-H207 WeakPolarHBondContact CB-NE2 3.42Å; F175-H207 AromaticContact CD2-NE2 3.95Å; F175-H207 AromaticContact CG-NE2 3.75Å; F175-H207 PolarHBondContact N-O 2.83Å; F175-H207 PolarHBondContact O-N 3.25Å; H207-S219 WeakPolarHBondContact CA-OG 3.4Å; H207-S219 WeakPolarHBondContact CB-OG 3.19Å; H207-P222 HydrophobicContact CB-CB 4.36Å; H207-L282 WeakPolarHBondContact NE2-CD2 3.48Å; H207-L333 WeakPolarHBondContact CE1-CD2 3.3Å; H207-L333 VanDerWaalsContact NE2-CD2 3.26Å; H207-L333 WeakPolarHBondContact NE2-CD2 3.28Å |
| 208 | C | 86.4 | Confident | 71.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 145 | 169.5 | 68.3 | 0 | 0 | 0 | 0 | 111.1 | L140 C159 I172 K173 W174 D218 S219 | L140-C208 HydrophobicContact CD2-CB 4.26Å; C159-C208 HydrophobicContact CB-CB 3.61Å; C159-C208 WeakPolarHBondContact CB-SG 3.47Å; C159-C208 WeakPolarHBondContact SG-CB 3.33Å; C159-C208 CovalentContact SG-SG 2.03Å; C159-C208 PolarHBondContact SG-SG 2.93Å; I172-C208 HydrophobicContact CG2-CB 4.29Å; K173-C208 CarbonylContact O-C 3.57Å; K173-C208 WeakPolarHBondContact O-CA 3.21Å; W174-C208 HydrophobicContact CD2-CB 3.74Å; W174-C208 HydrophobicContact CE3-CB 4Å; W174-C208 HydrophobicContact CG-CB 4.25Å; W174-C208 HydrophobicContact CH2-CB 4.28Å; W174-C208 HydrophobicContact CZ2-CB 4.05Å; W174-C208 HydrophobicContact CZ3-CB 4.24Å; C208-D218 CarbonylContact O-C 3.51Å; C208-D218 WeakPolarHBondContact O-CA 3.46Å; C208-S219 PolarHBondContact N-OG 3.46Å; C208-S219 PolarHBondContact O-N 2.87Å; C208-S219 PolarHBondContact O-OG 3.32Å |
| 209 | R | 81.4 | Confident | 71.5 | Confident | 20 Ų | 20 | 31.5 Ų | 31.5 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.3 | 175.7 | 174.3 | 165.9 | -74.4 | -167.1 | -9 | 109.4 | I172 K173 F175 I211 L217 D218 L282 | I172-R209 WeakPolarHBondContact CA-O 3.49Å; K173-R209 HydrophobicContact CB-CB 4.46Å; K173-R209 PolarHBondContact N-O 3.36Å; K173-R209 PolarHBondContact O-N 2.85Å; F175-R209 HydrophobicContact CD2-CB 4.42Å; F175-R209 HydrophobicContact CE2-CB 3.91Å; R209-I211 HydrophobicContact CG-CG1 4.17Å; R209-L217 CarbonylContact C-O 3.59Å; R209-L217 WeakPolarHBondContact CA-O 3.24Å; R209-D218 VanDerWaalsContact CB-OD1 3.26Å; R209-D218 WeakPolarHBondContact CB-OD1 3.35Å; R209-D218 WeakPolarHBondContact CG-OD1 3.39Å; R209-D218 IonicContact CZ-OD1 3.55Å; R209-D218 IonicContact CZ-OD2 3.68Å; R209-D218 IonicContact NE-OD1 3.2Å; R209-D218 PolarHBondContact NE-OD1 3.32Å; R209-D218 IonicContact NE-OD2 3.91Å; R209-D218 VanDerWaalsContact NH2-CG 3.33Å; R209-D218 IonicContact NH2-OD1 2.69Å; R209-D218 PolarHBondContact NH2-OD1 2.03Å; R209-D218 VanDerWaalsContact NH2-OD1 3.17Å; R209-D218 IonicContact NH2-OD2 3.81Å; R209-D218 PolarHBondContact NH2-OD2 3.13Å; R209-L282 VanDerWaalsContact NH2-CD2 3.33Å |
| 210 | A | 76.7 | Confident | 71.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | V138 V161 L167 K216 L217 | V138-A210 HydrophobicContact CB-CB 4.48Å; V138-A210 HydrophobicContact CG1-CB 4.17Å; V138-A210 HydrophobicContact CG2-CB 3.43Å; V138-A210 VanDerWaalsContact CG2-CB 3.43Å; V161-A210 HydrophobicContact CG1-CB 3.76Å; V161-A210 HydrophobicContact CG2-CB 3.93Å; L167-A210 HydrophobicContact CD2-CB 3.66Å; A210-K216 WeakPolarHBondContact O-CA 3.42Å; A210-L217 PolarHBondContact N-O 3.07Å; A210-L217 PolarHBondContact O-N 2.8Å |
| 211 | I | 66.3 | Low | 70.7 | Confident | 41 Ų | 41 | 29.4 Ų | 29.4 | 21% | 0.21 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 93.8 | 172 | -52.6 | -177.8 | 0 | 0 | 0 | 108.5 | L167 N171 K173 R209 K216 | L167-I211 WeakPolarHBondContact CD2-O 3.42Å; N171-I211 HydrophobicContact CB-CB 4.06Å; N171-I211 VanDerWaalsContact CB-O 3.24Å; N171-I211 WeakPolarHBondContact CB-O 3.31Å; N171-I211 PolarHBondContact ND2-O 2.87Å; N171-I211 PolarHBondContact O-N 3.23Å; K173-I211 HydrophobicContact CD-CD1 4Å; K173-I211 HydrophobicContact CG-CD1 4.47Å; R209-I211 HydrophobicContact CG-CG1 4.17Å; I211-K216 HydrophobicContact CG1-CG 4.28Å; I211-K216 HydrophobicContact CG2-CG 4.25Å |
| 212 | H | 67.1 | Low | 70.6 | Confident | 17 Ų | 17 | 25.4 Ų | 25.4 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 170.6 | 176.9 | -169.5 | -112.5 | 0 | 0 | 0 | 111.3 | N164 P165 L167 A214 G215 | N164-H212 PolarHBondContact O-CE1 2.97Å; N164-H212 PolarHBondContact O-NE2 3.12Å; P165-H212 PolarHBondContact O-CD2 3.29Å; P165-H212 PolarHBondContact O-NE2 2.76Å; L167-H212 HydrophobicContact CD1-CB 4.03Å; L167-H212 VanDerWaalsContact CD1-CD2 3.42Å; L167-H212 WeakPolarHBondContact CD1-CD2 3.44Å; L167-H212 HydrophobicContact CD2-CB 4.38Å; L167-H212 HydrophobicContact CG-CB 4.31Å; H212-A214 VanDerWaalsContact C-N 3.27Å; H212-A214 VanDerWaalsContact ND1-CB 3.32Å; H212-A214 WeakPolarHBondContact ND1-CB 3.45Å; H212-A214 PolarHBondContact ND1-N 3.28Å; H212-A214 PolarHBondContact O-N 2.85Å; H212-G215 PolarHBondContact N-O 2.88Å; H212-G215 PolarHBondContact O-N 3.19Å; H212-G215 VanDerWaalsContact O-O 3.09Å |
| 213 | A | 51.9 | Low | 70.5 | Confident | 46 Ų | 46 | 26 Ų | 26 | 38% | 0.38 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -41.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | M132 G215 P377 | M132-A213 HydrophobicContact CG-CB 4.44Å; M132-A213 HydrophobicContact SD-CB 4.27Å; A213-G215 PolarHBondContact O-N 3.35Å; A213-P377 HydrophobicContact CB-CB 4.38Å; A213-P377 HydrophobicContact CB-CG 4.05Å; A213-P377 VanDerWaalsContact O-CB 3.22Å; A213-P377 WeakPolarHBondContact O-CB 3.11Å; A213-P377 WeakPolarHBondContact O-CG 3.47Å |
| 214 | A | 48.6 | Very low | 70.3 | Confident | 48 Ų | 48 | 24.4 Ų | 24.4 | 40% | 0.397 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -9.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | M132 V136 H212 | M132-A214 HydrophobicContact CB-CB 4.47Å; M132-A214 HydrophobicContact CG-CB 4.37Å; M132-A214 VanDerWaalsContact SD-CA 3.5Å; M132-A214 HydrophobicContact SD-CB 3.68Å; V136-A214 HydrophobicContact CG2-CB 4.14Å; H212-A214 VanDerWaalsContact C-N 3.27Å; H212-A214 VanDerWaalsContact ND1-CB 3.32Å; H212-A214 WeakPolarHBondContact ND1-CB 3.45Å; H212-A214 PolarHBondContact ND1-N 3.28Å; H212-A214 PolarHBondContact O-N 2.85Å |
| 215 | G | 50.3 | Low | 70.4 | Confident | 27 Ų | 27 | 24 Ų | 24 | 28% | 0.278 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 141.9 | -166.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | H212 A213 | H212-G215 PolarHBondContact N-O 2.88Å; H212-G215 PolarHBondContact O-N 3.19Å; H212-G215 VanDerWaalsContact O-O 3.09Å; A213-G215 PolarHBondContact O-N 3.35Å |
| 216 | K | 58.7 | Low | 70 | Confident | 128 Ų | 128 | 25 Ų | 25 | 56% | 0.557 | 14% | 0.14 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 109.3 | 178 | -65.6 | 169.2 | -173.3 | 158.2 | 0 | 108.4 | A210 I211 | A210-K216 WeakPolarHBondContact O-CA 3.42Å; I211-K216 HydrophobicContact CG1-CG 4.28Å; I211-K216 HydrophobicContact CG2-CG 4.25Å |
| 217 | L | 66.4 | Low | 69.1 | Low | 56 Ų | 56 | 26.7 Ų | 26.7 | 29% | 0.293 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.5 | -179.1 | -71.6 | 87.7 | 0 | 0 | 0 | 109.9 | V136 V138 R209 A210 | V136-L217 HydrophobicContact CB-CD1 4.14Å; V136-L217 HydrophobicContact CB-CD2 3.96Å; V136-L217 HydrophobicContact CG1-CD1 4Å; V136-L217 HydrophobicContact CG1-CD2 4.06Å; V136-L217 HydrophobicContact CG1-CG 4.48Å; V136-L217 VanDerWaalsContact O-CD2 3.24Å; V136-L217 WeakPolarHBondContact O-CD2 3.18Å; V138-L217 HydrophobicContact CG2-CB 3.53Å; R209-L217 CarbonylContact C-O 3.59Å; R209-L217 WeakPolarHBondContact CA-O 3.24Å; A210-L217 PolarHBondContact N-O 3.07Å; A210-L217 PolarHBondContact O-N 2.8Å |
| 218 | D | 71.7 | Confident | 68 | Low | 10 Ų | 10 | 27.8 Ų | 27.8 | 5% | 0.053 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 143.8 | 175.6 | -64.5 | -31.2 | 0 | 0 | 0 | 110.6 | C208 R209 R220 | C208-D218 CarbonylContact O-C 3.51Å; C208-D218 WeakPolarHBondContact O-CA 3.46Å; R209-D218 VanDerWaalsContact CB-OD1 3.26Å; R209-D218 WeakPolarHBondContact CB-OD1 3.35Å; R209-D218 WeakPolarHBondContact CG-OD1 3.39Å; R209-D218 IonicContact CZ-OD1 3.55Å; R209-D218 IonicContact CZ-OD2 3.68Å; R209-D218 IonicContact NE-OD1 3.2Å; R209-D218 PolarHBondContact NE-OD1 3.32Å; R209-D218 IonicContact NE-OD2 3.91Å; R209-D218 VanDerWaalsContact NH2-CG 3.33Å; R209-D218 IonicContact NH2-OD1 2.69Å; R209-D218 PolarHBondContact NH2-OD1 2.03Å; R209-D218 VanDerWaalsContact NH2-OD1 3.17Å; R209-D218 IonicContact NH2-OD2 3.81Å; R209-D218 PolarHBondContact NH2-OD2 3.13Å; D218-R220 PolarHBondContact O-N 3.37Å |
| 219 | S | 76.6 | Confident | 66.5 | Low | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -65.9 | 119.7 | 176.8 | 64.5 | 0 | 0 | 0 | 0 | 111 | L140 H207 C208 P221 | L140-S219 WeakPolarHBondContact CD2-OG 3.27Å; L140-S219 WeakPolarHBondContact CG-OG 3.45Å; H207-S219 WeakPolarHBondContact CA-OG 3.4Å; H207-S219 WeakPolarHBondContact CB-OG 3.19Å; C208-S219 PolarHBondContact N-OG 3.46Å; C208-S219 PolarHBondContact O-N 2.87Å; C208-S219 PolarHBondContact O-OG 3.32Å; S219-P221 CarbonylContact O-C 3.59Å | ||
| 220 | R | 68.3 | Low | 65.3 | Low | 57 Ų | 57 | 40 Ų | 40 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -115.4 | 133.1 | 175.4 | -54.2 | -47.9 | -163.3 | 161.8 | 7.7 | 109.5 | D218 F244 L333 | D218-R220 PolarHBondContact O-N 3.37Å; R220-F244 HydrophobicContact CG-CB 4.42Å; R220-F244 VanDerWaalsContact CZ-CB 3.41Å; R220-F244 PolarHBondContact NH2-O 3.04Å; R220-L333 PolarHBondContact NH1-O 3.42Å; R220-L333 PolarHBondContact NH2-O 2.89Å |
| 221 | P | 64.5 | Low | 64.4 | Low | 26 Ų | 26 | 45 Ų | 45 | 17% | 0.169 | 25% | 0.249 | C | C | . | . | S | Bend | cis | -69.8 | 166.7 | -7.8 | 36 | -39.3 | 0 | 0 | 0 | 111.8 | S219 V240 F244 | S219-P221 CarbonylContact O-C 3.59Å; P221-V240 HydrophobicContact CG-CB 4.32Å; P221-V240 HydrophobicContact CG-CG2 3.72Å; P221-F244 HydrophobicContact CB-CE2 4.14Å |
| 222 | P | 72 | Confident | 63.9 | Low | 7 Ų | 7 | 46.4 Ų | 46.4 | 5% | 0.045 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 155.2 | 159.8 | 32 | -34.8 | 0 | 0 | 0 | 110.9 | Y206 H207 | Y206-P222 CarbonylContact O-C 3.57Å; Y206-P222 WeakPolarHBondContact O-CA 3.34Å; Y206-P222 WeakPolarHBondContact O-CB 3.36Å; H207-P222 HydrophobicContact CB-CB 4.36Å |
| 223 | F | 79.2 | Confident | 63.6 | Low | 13 Ų | 13 | 45.6 Ų | 45.6 | 6% | 0.057 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 132.8 | 163 | -77.2 | -41.3 | 0 | 0 | 0 | 109.3 | L140 K142 P143 S205 Y206 L235 M237 | L140-F223 HydrophobicContact CB-CD1 4.35Å; L140-F223 HydrophobicContact CB-CD2 3.9Å; L140-F223 HydrophobicContact CB-CE1 4.01Å; L140-F223 HydrophobicContact CB-CE2 3.49Å; L140-F223 VanDerWaalsContact CB-CE2 3.49Å; L140-F223 HydrophobicContact CB-CG 4.3Å; L140-F223 HydrophobicContact CB-CZ 3.57Å; L140-F223 HydrophobicContact CD1-CB 4.06Å; L140-F223 HydrophobicContact CD1-CD1 4.28Å; L140-F223 HydrophobicContact CD1-CD2 3.63Å; L140-F223 HydrophobicContact CD1-CE2 4.15Å; L140-F223 HydrophobicContact CD1-CG 3.69Å; L140-F223 VanDerWaalsContact CD1-N 3.26Å; L140-F223 HydrophobicContact CG-CD2 4.23Å; L140-F223 HydrophobicContact CG-CE2 4.27Å; K142-F223 WeakPolarHBondContact O-CE2 3.41Å; P143-F223 VanDerWaalsContact O-CZ 3.26Å; P143-F223 WeakPolarHBondContact O-CZ 3.5Å; S205-F223 CarbonylContact C-O 3.51Å; S205-F223 WeakPolarHBondContact CA-O 3.4Å; Y206-F223 PolarHBondContact N-O 2.86Å; Y206-F223 PolarHBondContact O-N 2.93Å; F223-L235 HydrophobicContact CB-CD1 4.05Å; F223-L235 HydrophobicContact CD1-CD1 3.89Å; F223-L235 HydrophobicContact CE1-CD2 4.47Å; F223-L235 HydrophobicContact CG-CD1 4.11Å; F223-M237 HydrophobicContact CE1-SD 4.39Å |
| 224 | L | 73 | Confident | 64.1 | Low | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 111.1 | 175.6 | -179 | 62.5 | 0 | 0 | 0 | 109 | I236 P261 Y330 F332 | L224-I236 HydrophobicContact CB-CB 4.2Å; L224-I236 HydrophobicContact CD2-CB 4.16Å; L224-I236 HydrophobicContact CD2-CD1 3.96Å; L224-I236 HydrophobicContact CD2-CG2 4.35Å; L224-I236 HydrophobicContact CG-CB 4.38Å; L224-I236 HydrophobicContact CG-CD1 4.36Å; L224-I236 PolarHBondContact O-N 2.87Å; L224-P261 HydrophobicContact CD2-CG 4.03Å; L224-Y330 HydrophobicContact CD1-CD1 4.09Å; L224-Y330 HydrophobicContact CD2-CD1 3.64Å; L224-Y330 HydrophobicContact CD2-CE1 4.28Å; L224-Y330 HydrophobicContact CD2-CG 4.05Å; L224-Y330 HydrophobicContact CG-CD1 4.09Å; L224-F332 HydrophobicContact CD2-CE1 3.86Å; L224-F332 HydrophobicContact CD2-CZ 3.85Å |
| 225 | I | 77.8 | Confident | 64.9 | Low | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.7 | -176.2 | -48.7 | 176 | 0 | 0 | 0 | 109.1 | I149 L157 F198 T203 G204 Y206 L235 | I149-I225 HydrophobicContact CD1-CD1 4.14Å; I149-I225 HydrophobicContact CD1-CG1 4.23Å; I149-I225 HydrophobicContact CD1-CG2 3.88Å; I149-I225 HydrophobicContact CG2-CG2 4.35Å; L157-I225 HydrophobicContact CD2-CD1 4.21Å; F198-I225 HydrophobicContact CE1-CG2 4.32Å; F198-I225 HydrophobicContact CE2-CD1 4.3Å; F198-I225 HydrophobicContact CE2-CG2 4.31Å; F198-I225 HydrophobicContact CZ-CB 4.5Å; F198-I225 HydrophobicContact CZ-CG2 3.6Å; T203-I225 CarbonylContact C-O 3.6Å; T203-I225 WeakPolarHBondContact CA-O 3.33Å; G204-I225 PolarHBondContact N-O 2.87Å; G204-I225 PolarHBondContact O-N 3.45Å; Y206-I225 HydrophobicContact CD2-CD1 3.88Å; Y206-I225 HydrophobicContact CD2-CG1 4.3Å; Y206-I225 HydrophobicContact CE2-CD1 3.81Å; Y206-I225 HydrophobicContact CE2-CG1 4.43Å; I225-L235 HydrophobicContact CG1-CD1 3.89Å |
| 226 | Q | 67.4 | Low | 65.6 | Low | 21 Ų | 21 | 46.2 Ų | 46.2 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 144.3 | -176.2 | 179.9 | -172.2 | 10.4 | 0 | 0 | 109.8 | P233 K234 D328 Y330 | Q226-P233 CarbonylContact O-C 3.6Å; Q226-P233 WeakPolarHBondContact O-CA 3.36Å; Q226-P233 VanDerWaalsContact O-CB 3.25Å; Q226-P233 WeakPolarHBondContact O-CB 3.44Å; Q226-K234 PolarHBondContact N-O 2.9Å; Q226-K234 PolarHBondContact O-N 2.87Å; Q226-D328 PolarHBondContact NE2-OD1 3.18Å; Q226-Y330 HydrophobicContact CG-CE1 4.37Å; Q226-Y330 PolarHBondContact NE2-OH 3.01Å; Q226-Y330 PolarHBondContact OE1-OH 3.15Å |
| 227 | M | 65.2 | Low | 65.7 | Low | 37 Ų | 37 | 44.1 Ų | 44.1 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | trans | -102.6 | 132.4 | 161.1 | -77.2 | 174.6 | 56.8 | 0 | 0 | 109.2 | L151 I200 T203 P233 | L151-M227 HydrophobicContact CD1-CE 3.82Å; L151-M227 HydrophobicContact CD2-CE 3.81Å; L151-M227 HydrophobicContact CD2-SD 3.76Å; L151-M227 HydrophobicContact CG-CE 4.17Å; L151-M227 HydrophobicContact CG-SD 4.45Å; I200-M227 VanDerWaalsContact CA-SD 3.53Å; I200-M227 HydrophobicContact CB-CE 4.12Å; I200-M227 HydrophobicContact CB-SD 3.73Å; I200-M227 HydrophobicContact CD1-CE 4.25Å; I200-M227 HydrophobicContact CG1-CE 4.21Å; I200-M227 HydrophobicContact CG1-SD 3.91Å; T203-M227 HydrophobicContact CG2-CB 3.91Å; T203-M227 HydrophobicContact CG2-CG 3.65Å; T203-M227 HydrophobicContact CG2-SD 3.98Å; M227-P233 HydrophobicContact CG-CB 3.95Å | ||
| 228 | T | 58.4 | Low | 65.5 | Low | 24 Ų | 24 | 48.6 Ų | 48.6 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | trans | -98.2 | 158.7 | 166.3 | 38.9 | 0 | 0 | 0 | 0 | 110.1 | D230 K234 | T228-D230 CarbonylContact O-C 3.54Å; T228-D230 PolarHBondContact O-N 2.75Å; T228-D230 PolarHBondContact OG1-O 3.15Å; T228-K234 HydrophobicContact CG2-CD 4.31Å; T228-K234 PolarHBondContact OG1-NZ 3.11Å | ||
| 229 | N | 55.6 | Low | 65.2 | Low | 153 Ų | 153 | 49.4 Ų | 49.4 | 82% | 0.818 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -61.5 | -25.8 | 173.4 | -66.5 | -40.3 | 0 | 0 | 0 | 111.8 | D231 | N229-D231 PolarHBondContact O-N 3.25Š|
| 230 | D | 55.2 | Low | 64.3 | Low | 125 Ų | 125 | 53.8 Ų | 53.8 | 67% | 0.668 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -78.8 | 103.3 | 158.3 | -45.9 | -63.9 | 0 | 0 | 0 | 108.8 | T228 | T228-D230 CarbonylContact O-C 3.54Å; T228-D230 PolarHBondContact O-N 2.75Å; T228-D230 PolarHBondContact OG1-O 3.15Å |
| 231 | D | 58.1 | Low | 63.8 | Low | 105 Ų | 105 | 58.5 Ų | 58.5 | 56% | 0.561 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -59.9 | 140.7 | 164.7 | -105.9 | -43.1 | 0 | 0 | 0 | 109.5 | L151 N229 | L151-D231 WeakPolarHBondContact CD1-OD1 3.44Å; N229-D231 PolarHBondContact O-N 3.25Å |
| 232 | P | 56.2 | Low | 64 | Low | 70 Ų | 70 | 60 Ų | 60 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | S | Bend | cis | -98.8 | 171.8 | 12.9 | 38.5 | -36.6 | 0 | 0 | 0 | 115 | ||
| 233 | P | 59.7 | Low | 64 | Low | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -56.5 | 155.1 | 173.5 | 20.9 | -33.8 | 0 | 0 | 0 | 115.2 | I149 Q226 M227 | I149-P233 HydrophobicContact CB-CG 4.29Å; I149-P233 HydrophobicContact CG2-CB 4.28Å; I149-P233 HydrophobicContact CG2-CG 3.78Å; Q226-P233 CarbonylContact O-C 3.6Å; Q226-P233 WeakPolarHBondContact O-CA 3.36Å; Q226-P233 VanDerWaalsContact O-CB 3.25Å; Q226-P233 WeakPolarHBondContact O-CB 3.44Å; M227-P233 HydrophobicContact CG-CB 3.95Å |
| 234 | K | 63.6 | Low | 63.7 | Low | 88 Ų | 88 | 65.4 Ų | 65.4 | 38% | 0.383 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 138 | -177.2 | -68.9 | 166.6 | -176.8 | 145.8 | 0 | 111 | Q226 T228 | Q226-K234 PolarHBondContact N-O 2.9Å; Q226-K234 PolarHBondContact O-N 2.87Å; T228-K234 HydrophobicContact CG2-CD 4.31Å; T228-K234 PolarHBondContact OG1-NZ 3.11Å |
| 235 | L | 65.8 | Low | 63.7 | Low | 21 Ų | 21 | 67 Ų | 67 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 114.5 | 174.3 | 179.6 | 70.5 | 0 | 0 | 0 | 109 | P143 I149 F223 I225 M237 | P143-L235 HydrophobicContact CB-CD2 4.47Å; P143-L235 HydrophobicContact CG-CD2 4.2Å; I149-L235 HydrophobicContact CD1-CB 4.17Å; I149-L235 HydrophobicContact CD1-CD1 4.37Å; F223-L235 HydrophobicContact CB-CD1 4.05Å; F223-L235 HydrophobicContact CD1-CD1 3.89Å; F223-L235 HydrophobicContact CE1-CD2 4.47Å; F223-L235 HydrophobicContact CG-CD1 4.11Å; I225-L235 HydrophobicContact CG1-CD1 3.89Å; L235-M237 HydrophobicContact CD2-CG 4.12Å; L235-M237 HydrophobicContact CD2-SD 4.03Å; L235-M237 HydrophobicContact CG-CG 4.04Å |
| 236 | I | 64.5 | Low | 63.9 | Low | 25 Ų | 25 | 69.5 Ų | 69.5 | 13% | 0.128 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 113.1 | -178.6 | -60.8 | 171.7 | 0 | 0 | 0 | 109.1 | L224 P261 Y330 | L224-I236 HydrophobicContact CB-CB 4.2Å; L224-I236 HydrophobicContact CD2-CB 4.16Å; L224-I236 HydrophobicContact CD2-CD1 3.96Å; L224-I236 HydrophobicContact CD2-CG2 4.35Å; L224-I236 HydrophobicContact CG-CB 4.38Å; L224-I236 HydrophobicContact CG-CD1 4.36Å; L224-I236 PolarHBondContact O-N 2.87Å; I236-P261 HydrophobicContact CD1-CB 3.89Å; I236-P261 HydrophobicContact CG2-CB 4.27Å; I236-Y330 HydrophobicContact CD1-CD1 4.41Å; I236-Y330 HydrophobicContact CD1-CE1 3.65Å |
| 237 | M | 60.2 | Low | 64.5 | Low | 84 Ų | 84 | 72.1 Ų | 72.1 | 41% | 0.414 | 38% | 0.377 | S | S | . | . | trans | -111 | -4.1 | -179.7 | -64.3 | -162.1 | -67.9 | 0 | 0 | 114.4 | S144 F223 L235 L239 V240 | S144-M237 WeakPolarHBondContact O-CE 3.42Å; F223-M237 HydrophobicContact CE1-SD 4.39Å; L235-M237 HydrophobicContact CD2-CG 4.12Å; L235-M237 HydrophobicContact CD2-SD 4.03Å; L235-M237 HydrophobicContact CG-CG 4.04Å; M237-L239 PolarHBondContact O-N 2.6Å; M237-V240 WeakPolarHBondContact O-CG2 3.39Å; M237-V240 PolarHBondContact O-N 2.86Å | ||
| 238 | D | 63.6 | Low | 65.4 | Low | 150 Ų | 150 | 70.9 Ų | 70.9 | 80% | 0.802 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -6 | -171.5 | -58.6 | -28.6 | 0 | 0 | 0 | 114.8 | ||
| 239 | L | 64.2 | Low | 66.6 | Low | 27 Ų | 27 | 72.9 Ų | 72.9 | 14% | 0.141 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 8.3 | -175.6 | -58.1 | 179 | 0 | 0 | 0 | 114.6 | M237 N241 H242 F244 P259 F332 | M237-L239 PolarHBondContact O-N 2.6Å; L239-N241 PolarHBondContact O-N 3.44Å; L239-N241 VanDerWaalsContact O-N 3.09Å; L239-H242 WeakPolarHBondContact O-CB 2.96Å; L239-H242 PolarHBondContact O-N 3.09Å; L239-H242 VanDerWaalsContact O-N 3.09Å; L239-F244 HydrophobicContact CB-CE2 4.46Å; L239-F244 HydrophobicContact CB-CZ 4.29Å; L239-P259 HydrophobicContact CD1-CB 3.98Å; L239-P259 HydrophobicContact CD1-CG 4.35Å; L239-P259 HydrophobicContact CD2-CB 3.74Å; L239-P259 HydrophobicContact CD2-CG 4.41Å; L239-F332 HydrophobicContact CD1-CD1 4.11Å; L239-F332 HydrophobicContact CD1-CE1 3.26Å; L239-F332 HydrophobicContact CD1-CZ 3.82Å |
| 240 | V | 57.3 | Low | 67.9 | Low | 91 Ų | 91 | 74 Ų | 74 | 55% | 0.552 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | -36 | 178.5 | 168.3 | 0 | 0 | 0 | 0 | 113.4 | P221 M237 | P221-V240 HydrophobicContact CG-CB 4.32Å; P221-V240 HydrophobicContact CG-CG2 3.72Å; M237-V240 WeakPolarHBondContact O-CG2 3.39Å; M237-V240 PolarHBondContact O-N 2.86Å |
| 241 | N | 58.5 | Low | 69.3 | Low | 157 Ų | 157 | 70 Ų | 70 | 84% | 0.84 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 4.8 | -174.6 | -63.2 | -33 | 0 | 0 | 0 | 114.4 | L239 | L239-N241 PolarHBondContact O-N 3.44Å; L239-N241 VanDerWaalsContact O-N 3.09Å |
| 242 | H | 69.2 | Low | 70.8 | Confident | 58 Ų | 58 | 72.3 Ų | 72.3 | 27% | 0.269 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -87.1 | 131.7 | -175.8 | -153.5 | -69.9 | 0 | 0 | 0 | 112 | L239 F244 E257 | L239-H242 WeakPolarHBondContact O-CB 2.96Å; L239-H242 PolarHBondContact O-N 3.09Å; L239-H242 VanDerWaalsContact O-N 3.09Å; H242-F244 HydrophobicContact CB-CD2 4.33Å; H242-F244 HydrophobicContact CB-CE2 3.77Å; H242-F244 HydrophobicContact CB-CZ 3.91Å; H242-F244 VanDerWaalsContact O-CD2 3.23Å; H242-F244 WeakPolarHBondContact O-CD2 3.29Å; H242-F244 PolarHBondContact O-N 2.88Å; H242-E257 PolarHBondContact CE1-O 2.83Å; H242-E257 VanDerWaalsContact CE1-O 3.3Å |
| 243 | E | 70.7 | Confident | 72.3 | Confident | 128 Ų | 128 | 72.3 Ų | 72.3 | 60% | 0.598 | 36% | 0.363 | S | S | * | . | trans | -70.6 | 101.5 | 175.1 | -74.9 | -168.8 | 160.4 | 0 | 0 | 111.1 | K246 | E243-K246 VanDerWaalsContact OE2-CE 3.25Å; E243-K246 WeakPolarHBondContact OE2-CE 3.15Å; E243-K246 IonicContact OE2-NZ 2.87Å | ||
| 244 | F | 73.5 | Confident | 73.8 | Confident | 4 Ų | 4 | 72.9 Ų | 72.9 | 2% | 0.018 | 37% | 0.367 | C | S | . | . | trans | -95.7 | -5.2 | 172.9 | -64.7 | -72.4 | 0 | 0 | 0 | 114 | R220 P221 L239 H242 P259 F332 F334 Q335 | R220-F244 HydrophobicContact CG-CB 4.42Å; R220-F244 VanDerWaalsContact CZ-CB 3.41Å; R220-F244 PolarHBondContact NH2-O 3.04Å; P221-F244 HydrophobicContact CB-CE2 4.14Å; L239-F244 HydrophobicContact CB-CE2 4.46Å; L239-F244 HydrophobicContact CB-CZ 4.29Å; H242-F244 HydrophobicContact CB-CD2 4.33Å; H242-F244 HydrophobicContact CB-CE2 3.77Å; H242-F244 HydrophobicContact CB-CZ 3.91Å; H242-F244 VanDerWaalsContact O-CD2 3.23Å; H242-F244 WeakPolarHBondContact O-CD2 3.29Å; H242-F244 PolarHBondContact O-N 2.88Å; F244-P259 HydrophobicContact CE1-CG 4.1Å; F244-P259 HydrophobicContact CZ-CG 4.28Å; F244-F332 HydrophobicContact CE1-CB 4.2Å; F244-F332 HydrophobicContact CE1-CD1 4.15Å; F244-F332 HydrophobicContact CE1-CG 4.48Å; F244-F332 HydrophobicContact CZ-CD1 4.37Å; F244-F334 HydrophobicContact CD1-CD1 4.15Å; F244-F334 AromaticContact CD1-CE1 3.91Å; F244-F334 HydrophobicContact CD1-CE1 3.91Å; F244-F334 HydrophobicContact CD1-CZ 4.33Å; F244-F334 HydrophobicContact CE1-CE1 4.4Å; F244-F334 HydrophobicContact CE1-CZ 4.48Å; F244-F334 CarbonylContact O-C 3.58Å; F244-F334 WeakPolarHBondContact O-CA 3.16Å; F244-Q335 PolarHBondContact O-N 3.38Å | ||
| 245 | S | 73.8 | Confident | 75.1 | Confident | 38 Ų | 38 | 72.9 Ų | 72.9 | 27% | 0.266 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 125.6 | 175.8 | -62.7 | 0 | 0 | 0 | 0 | 109.8 | Q335 | S245-Q335 CarbonylContact C-O 3.56Å; S245-Q335 VanDerWaalsContact CA-O 3.28Å; S245-Q335 WeakPolarHBondContact CA-O 3.12Å; S245-Q335 PolarHBondContact OG-OE1 2.84Å |
| 246 | K | 82.1 | Confident | 76.3 | Confident | 54 Ų | 54 | 71.9 Ų | 71.9 | 24% | 0.235 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 130.8 | -175.5 | -63.9 | -162.4 | 179.9 | -171.2 | 0 | 112.4 | E243 V248 V254 E255 L256 Q335 V336 E337 | E243-K246 VanDerWaalsContact OE2-CE 3.25Å; E243-K246 WeakPolarHBondContact OE2-CE 3.15Å; E243-K246 IonicContact OE2-NZ 2.87Å; K246-V248 HydrophobicContact CB-CG2 4.49Å; K246-V254 HydrophobicContact CB-CG2 4.32Å; K246-V254 HydrophobicContact CD-CG2 3.86Å; K246-E255 PolarHBondContact NZ-O 2.83Å; K246-L256 HydrophobicContact CD-CD2 4.05Å; K246-Q335 PolarHBondContact N-O 2.83Å; K246-V336 WeakPolarHBondContact O-CA 3.29Å; K246-E337 PolarHBondContact O-N 3.16Å |
| 247 | F | 79.8 | Confident | 77.6 | Confident | 76 Ų | 76 | 75.1 Ų | 75.1 | 33% | 0.333 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117 | 177.7 | -59.3 | -82.4 | 0 | 0 | 0 | 110.4 | E337 A339 N388 P389 | F247-E337 CarbonylContact C-O 3.59Å; F247-E337 WeakPolarHBondContact CA-O 3.37Å; F247-E337 HydrophobicContact CD1-CB 4Å; F247-E337 HydrophobicContact CE1-CB 4.24Å; F247-A339 HydrophobicContact CB-CB 4.36Å; F247-N388 WeakPolarHBondContact CE1-OD1 3.43Å; F247-P389 HydrophobicContact CB-CG 4.5Å; F247-P389 HydrophobicContact CD1-CB 4.37Å; F247-P389 HydrophobicContact CD1-CG 4.49Å; F247-P389 HydrophobicContact CD2-CB 4.17Å; F247-P389 HydrophobicContact CD2-CG 4.04Å; F247-P389 HydrophobicContact CE1-CB 4.25Å; F247-P389 HydrophobicContact CE2-CB 4.04Å; F247-P389 HydrophobicContact CE2-CG 4.4Å; F247-P389 HydrophobicContact CG-CB 4.33Å; F247-P389 HydrophobicContact CG-CG 4.09Å; F247-P389 HydrophobicContact CZ-CB 4.08Å |
| 248 | V | 84.6 | Confident | 78.9 | Confident | 10 Ų | 10 | 71.2 Ų | 71.2 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 125.7 | -165.6 | -168.4 | 0 | 0 | 0 | 0 | 110.5 | K246 R252 V254 F309 V336 E337 L338 A339 | K246-V248 HydrophobicContact CB-CG2 4.49Å; V248-R252 HydrophobicContact CG1-CB 4.11Å; V248-V254 HydrophobicContact CG1-CB 4.06Å; V248-V254 HydrophobicContact CG1-CG1 4.34Å; V248-V254 HydrophobicContact CG2-CB 3.7Å; V248-V254 HydrophobicContact CG2-CG1 3.98Å; V248-V254 HydrophobicContact CG2-CG2 3.76Å; V248-F309 HydrophobicContact CB-CB 4.31Å; V248-F309 HydrophobicContact CB-CD1 3.7Å; V248-F309 HydrophobicContact CB-CD2 4.28Å; V248-F309 HydrophobicContact CB-CE1 4.04Å; V248-F309 HydrophobicContact CB-CG 3.83Å; V248-F309 HydrophobicContact CB-CZ 4.47Å; V248-F309 HydrophobicContact CG1-CB 3.56Å; V248-F309 HydrophobicContact CG1-CD1 3.9Å; V248-F309 HydrophobicContact CG1-CD2 4.26Å; V248-F309 HydrophobicContact CG1-CG 3.65Å; V248-F309 HydrophobicContact CG2-CD2 4.49Å; V248-V336 HydrophobicContact CG2-CG1 3.66Å; V248-E337 PolarHBondContact N-O 3.01Å; V248-L338 WeakPolarHBondContact O-CA 3.41Å; V248-A339 PolarHBondContact O-N 2.83Å |
| 249 | M | 82.7 | Confident | 79.8 | Confident | 66 Ų | 66 | 64.4 Ų | 64.4 | 33% | 0.325 | 32% | 0.322 | S | S | . | . | trans | -65.9 | 143.9 | 172.5 | -81.1 | -177.8 | -78.3 | 0 | 0 | 111.3 | G251 R252 A339 T456 A457 | M249-G251 PolarHBondContact O-N 2.9Å; M249-R252 HydrophobicContact CB-CG 3.76Å; M249-R252 HydrophobicContact CE-CG 4.38Å; M249-R252 WeakPolarHBondContact O-CB 3.32Å; M249-R252 PolarHBondContact O-N 2.75Å; M249-A339 HydrophobicContact CG-CB 4.23Å; M249-T456 WeakPolarHBondContact CE-O 3.36Å; M249-T456 WeakPolarHBondContact CG-O 3.38Å; M249-A457 HydrophobicContact CG-CB 4.41Å | ||
| 250 | R | 83.5 | Confident | 80.5 | Confident | 176 Ų | 176 | 67.2 Ų | 67.2 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 129.7 | 173.6 | -158.2 | -179.8 | -169.2 | -167.9 | 0.3 | 111.3 | R252 F309 D310 L338 | R250-R252 VanDerWaalsContact C-N 3.35Å; R250-F309 CarbonylContact C-O 3.55Å; R250-F309 VanDerWaalsContact CA-O 3.3Å; R250-F309 WeakPolarHBondContact CA-O 3.32Å; R250-D310 IonicContact CZ-OD1 3.8Å; R250-D310 VanDerWaalsContact CZ-OD1 3.23Å; R250-D310 IonicContact CZ-OD2 3.36Å; R250-D310 VanDerWaalsContact NE-CG 3.35Å; R250-D310 IonicContact NE-OD1 2.79Å; R250-D310 PolarHBondContact NE-OD1 2.9Å; R250-D310 IonicContact NE-OD2 2.72Å; R250-D310 VanDerWaalsContact NH2-CG 3.31Å; R250-D310 IonicContact NH2-OD1 3.37Å; R250-D310 PolarHBondContact NH2-OD1 2.77Å; R250-D310 IonicContact NH2-OD2 3.44Å; R250-D310 PolarHBondContact NH2-OD2 3.05Å; R250-L338 HydrophobicContact CB-CD1 4.06Å; R250-L338 HydrophobicContact CG-CD1 4.48Å |
| 251 | G | 83.4 | Confident | 81.1 | Confident | 41 Ų | 41 | 63.4 Ų | 63.4 | 42% | 0.423 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 6.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | M249 F309 | M249-G251 PolarHBondContact O-N 2.9Å; G251-F309 PolarHBondContact N-O 2.77Å |
| 252 | R | 89.2 | Confident | 81.3 | Confident | 155 Ų | 155 | 59.3 Ų | 59.3 | 59% | 0.585 | 31% | 0.307 | S | S | * | . | trans | -91 | 152.2 | 167.9 | -63.7 | -59.9 | -172.6 | 139.7 | 0.6 | 110.8 | V248 M249 R250 F309 | V248-R252 HydrophobicContact CG1-CB 4.11Å; M249-R252 HydrophobicContact CB-CG 3.76Å; M249-R252 HydrophobicContact CE-CG 4.38Å; M249-R252 WeakPolarHBondContact O-CB 3.32Å; M249-R252 PolarHBondContact O-N 2.75Å; R250-R252 VanDerWaalsContact C-N 3.35Å; R252-F309 WeakPolarHBondContact O-CB 3.37Å; R252-F309 PolarHBondContact O-N 2.98Å | ||
| 253 | S | 88.9 | Confident | 80.6 | Confident | 69 Ų | 69 | 60.1 Ų | 60.1 | 48% | 0.483 | 32% | 0.316 | S | S | . | . | trans | -81.7 | 151.7 | 166.1 | -52 | 0 | 0 | 0 | 0 | 110.5 | I306 N307 | S253-I306 CarbonylContact C-O 3.57Å; S253-I306 WeakPolarHBondContact CA-O 3.46Å; S253-N307 WeakPolarHBondContact OG-CA 3.44Å; S253-N307 PolarHBondContact OG-OD1 2.83Å | ||
| 254 | V | 90.7 | Very high | 79.5 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 7% | 0.073 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138 | 172.1 | 58 | 0 | 0 | 0 | 0 | 110.1 | K246 V248 L256 V305 I306 F309 V336 | K246-V254 HydrophobicContact CB-CG2 4.32Å; K246-V254 HydrophobicContact CD-CG2 3.86Å; V248-V254 HydrophobicContact CG1-CB 4.06Å; V248-V254 HydrophobicContact CG1-CG1 4.34Å; V248-V254 HydrophobicContact CG2-CB 3.7Å; V248-V254 HydrophobicContact CG2-CG1 3.98Å; V248-V254 HydrophobicContact CG2-CG2 3.76Å; V254-L256 HydrophobicContact CG2-CD2 4.25Å; V254-V305 WeakPolarHBondContact O-CA 3.05Å; V254-I306 HydrophobicContact CG1-CB 3.81Å; V254-I306 HydrophobicContact CG1-CD1 4.03Å; V254-I306 HydrophobicContact CG1-CG1 4.33Å; V254-I306 PolarHBondContact N-O 2.91Å; V254-I306 PolarHBondContact O-N 2.94Å; V254-F309 HydrophobicContact CG1-CD2 3.91Å; V254-F309 HydrophobicContact CG1-CE2 4.49Å; V254-V336 HydrophobicContact CG1-CG1 4.27Å |
| 255 | E | 91.1 | Very high | 78.1 | Confident | 89 Ų | 89 | 71.8 Ų | 71.8 | 42% | 0.416 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122.9 | 178.7 | -176.8 | 177 | 164.3 | 0 | 0 | 108.7 | K246 K303 V305 | K246-E255 PolarHBondContact NZ-O 2.83Å; E255-K303 HydrophobicContact CG-CD 4.27Å; E255-K303 VanDerWaalsContact OE1-CD 3.26Å; E255-K303 WeakPolarHBondContact OE1-CD 3.3Å; E255-K303 VanDerWaalsContact OE1-CE 3.26Å; E255-K303 WeakPolarHBondContact OE1-CE 3.25Å; E255-K303 IonicContact OE1-NZ 3.04Å; E255-K303 PolarHBondContact OE1-NZ 2.79Å; E255-V305 HydrophobicContact CG-CG2 4.32Å |
| 256 | L | 91.6 | Very high | 76.5 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.1 | 168.9 | -50.9 | -178.2 | 0 | 0 | 0 | 107.8 | K246 V254 W276 K303 L304 Y317 F334 V336 | K246-L256 HydrophobicContact CD-CD2 4.05Å; V254-L256 HydrophobicContact CG2-CD2 4.25Å; L256-W276 HydrophobicContact CB-CH2 3.53Å; L256-W276 HydrophobicContact CB-CZ3 3.76Å; L256-W276 HydrophobicContact CD1-CZ3 3.98Å; L256-W276 WeakPolarHBondContact O-CH2 3.31Å; L256-K303 CarbonylContact O-C 3.53Å; L256-K303 VanDerWaalsContact O-CA 3.26Å; L256-K303 WeakPolarHBondContact O-CA 3.49Å; L256-L304 HydrophobicContact CB-CB 4.31Å; L256-L304 HydrophobicContact CD1-CD2 4.22Å; L256-L304 PolarHBondContact N-O 3.08Å; L256-L304 PolarHBondContact O-N 2.95Å; L256-Y317 HydrophobicContact CD1-CD1 4.45Å; L256-Y317 HydrophobicContact CD1-CD2 4.21Å; L256-Y317 HydrophobicContact CD1-CG 3.91Å; L256-F334 HydrophobicContact CB-CD1 4.5Å; L256-F334 HydrophobicContact CD1-CB 4.01Å; L256-F334 HydrophobicContact CD1-CD2 4.4Å; L256-F334 HydrophobicContact CD1-CG 4.14Å; L256-F334 HydrophobicContact CD2-CB 4.4Å; L256-F334 HydrophobicContact CD2-CD1 4.22Å; L256-F334 HydrophobicContact CD2-CG 4.4Å; L256-V336 HydrophobicContact CD1-CG2 3.94Å; L256-V336 HydrophobicContact CD2-CG2 3.89Å; L256-V336 HydrophobicContact CG-CG2 4.47Å |
| 257 | E | 90.3 | Very high | 74.5 | Confident | 92 Ų | 92 | 76.8 Ų | 76.8 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127.9 | 180 | -179 | 166.6 | -164.1 | 0 | 0 | 109.1 | H242 P259 K303 F334 | H242-E257 PolarHBondContact CE1-O 2.83Å; H242-E257 VanDerWaalsContact CE1-O 3.3Å; E257-P259 WeakPolarHBondContact O-CD 3.48Å; E257-K303 HydrophobicContact CB-CG 4.06Å; E257-K303 HydrophobicContact CG-CD 4.47Å; E257-K303 HydrophobicContact CG-CG 4.02Å; E257-K303 WeakPolarHBondContact OE1-CE 3.41Å; E257-K303 IonicContact OE1-NZ 3.29Å; E257-F334 VanDerWaalsContact O-CZ 3.24Å; E257-F334 WeakPolarHBondContact O-CZ 3.22Å |
| 258 | C | 87.9 | Confident | 73 | Confident | 2 Ų | 2 | 80.3 Ų | 80.3 | 1% | 0.014 | 44% | 0.437 | C | S | . | . | trans | -80.4 | 119.4 | -179 | -161.9 | 0 | 0 | 0 | 0 | 109.8 | T274 W276 T302 C319 | C258-T274 HydrophobicContact CB-CG2 3.99Å; C258-W276 HydrophobicContact CB-CH2 4.39Å; C258-W276 HydrophobicContact CB-CZ2 3.84Å; C258-T302 WeakPolarHBondContact CB-O 3.36Å; C258-T302 PolarHBondContact N-O 2.85Å; C258-C319 WeakPolarHBondContact CA-SG 3.48Å; C258-C319 HydrophobicContact CB-CB 3.77Å; C258-C319 WeakPolarHBondContact CB-SG 3.38Å; C258-C319 WeakPolarHBondContact SG-CB 3.33Å; C258-C319 CovalentContact SG-SG 2.03Å; C258-C319 PolarHBondContact SG-SG 2.62Å | ||
| 259 | P | 83.6 | Confident | 71.6 | Confident | 7 Ų | 7 | 86.8 Ų | 86.8 | 5% | 0.045 | 48% | 0.477 | C | S | . | . | trans | -57.6 | 145.5 | 178.8 | -22.4 | 29.7 | 0 | 0 | 0 | 112.4 | L239 F244 E257 P261 F332 | L239-P259 HydrophobicContact CD1-CB 3.98Å; L239-P259 HydrophobicContact CD1-CG 4.35Å; L239-P259 HydrophobicContact CD2-CB 3.74Å; L239-P259 HydrophobicContact CD2-CG 4.41Å; F244-P259 HydrophobicContact CE1-CG 4.1Å; F244-P259 HydrophobicContact CZ-CG 4.28Å; E257-P259 WeakPolarHBondContact O-CD 3.48Å; P259-P261 WeakPolarHBondContact O-CD 3.38Å; P259-F332 HydrophobicContact CB-CD2 4.28Å; P259-F332 HydrophobicContact CB-CE1 4.22Å; P259-F332 HydrophobicContact CB-CE2 3.93Å; P259-F332 HydrophobicContact CB-CZ 3.91Å; P259-F332 HydrophobicContact CG-CD1 4.01Å; P259-F332 HydrophobicContact CG-CD2 4.03Å; P259-F332 HydrophobicContact CG-CE1 4.21Å; P259-F332 HydrophobicContact CG-CE2 4.18Å; P259-F332 HydrophobicContact CG-CG 3.92Å; P259-F332 HydrophobicContact CG-CZ 4.27Å; P259-F332 WeakPolarHBondContact O-CE2 3.49Å | ||
| 260 | Q | 78.9 | Confident | 70.7 | Confident | 86 Ų | 86 | 88.4 Ų | 88.4 | 40% | 0.402 | 49% | 0.486 | S | S | . | . | trans | -117 | 81.1 | 178.1 | -54.8 | -170.9 | 2.2 | 0 | 0 | 111.1 | V263 I321 | Q260-V263 HydrophobicContact CB-CG2 3.96Å; Q260-I321 HydrophobicContact CG-CD1 3.81Å | ||
| 261 | P | 68.7 | Low | 70.1 | Confident | 11 Ų | 11 | 83.8 Ų | 83.8 | 7% | 0.071 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 148.3 | 175.5 | -13.9 | 26.6 | 0 | 0 | 0 | 112 | L224 I236 P259 V263 Y330 F332 | L224-P261 HydrophobicContact CD2-CG 4.03Å; I236-P261 HydrophobicContact CD1-CB 3.89Å; I236-P261 HydrophobicContact CG2-CB 4.27Å; P259-P261 WeakPolarHBondContact O-CD 3.38Å; P261-V263 VanDerWaalsContact C-N 3.29Å; P261-V263 PolarHBondContact O-N 2.99Å; P261-Y330 HydrophobicContact CB-CD2 4.09Å; P261-Y330 HydrophobicContact CB-CE1 4.49Å; P261-Y330 HydrophobicContact CB-CE2 3.71Å; P261-Y330 HydrophobicContact CG-CD1 4.45Å; P261-Y330 HydrophobicContact CG-CD2 3.62Å; P261-Y330 HydrophobicContact CG-CE2 3.8Å; P261-Y330 HydrophobicContact CG-CG 3.95Å; P261-F332 HydrophobicContact CG-CE2 4.45Å; P261-F332 HydrophobicContact CG-CZ 3.7Å |
| 262 | G | 62.2 | Low | 69.9 | Low | 71 Ų | 71 | 82.8 Ų | 82.8 | 73% | 0.732 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -5.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q264 | G262-Q264 VanDerWaalsContact C-N 3.34Å; G262-Q264 PolarHBondContact O-N 2.79Å |
| 263 | V | 55.4 | Low | 69.7 | Low | 75 Ų | 75 | 79.6 Ų | 79.6 | 46% | 0.455 | 46% | 0.457 | S | S | . | . | trans | -71.4 | 85.2 | 178.7 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | Q260 P261 W323 | Q260-V263 HydrophobicContact CB-CG2 3.96Å; P261-V263 VanDerWaalsContact C-N 3.29Å; P261-V263 PolarHBondContact O-N 2.99Å; V263-W323 HydrophobicContact CG2-CZ2 3.77Å | ||
| 264 | Q | 48.2 | Very low | 69.6 | Low | 161 Ų | 161 | 77 Ų | 77 | 75% | 0.752 | 44% | 0.438 | S | S | * | . | trans | -64.9 | 138 | 159.7 | -66.9 | -162.9 | 7 | 0 | 0 | 109 | G262 S266 | G262-Q264 VanDerWaalsContact C-N 3.34Å; G262-Q264 PolarHBondContact O-N 2.79Å; Q264-S266 PolarHBondContact O-N 2.83Å | ||
| 265 | K | 44.1 | Very low | 69.5 | Low | 217 Ų | 217 | 79.7 Ų | 79.7 | 94% | 0.943 | 45% | 0.454 | S | S | * | . | trans | -78.8 | 36.9 | -175.1 | -63.9 | -176.9 | 176.2 | -179.8 | 0 | 113.5 | ||||
| 266 | S | 40.4 | Very low | 69.5 | Low | 94 Ų | 94 | 76 Ų | 76 | 66% | 0.657 | 44% | 0.437 | S | S | * | . | trans | -80.8 | 131.6 | 169.2 | 46.8 | 0 | 0 | 0 | 0 | 109.7 | Q264 D268 | Q264-S266 PolarHBondContact O-N 2.83Å; S266-D268 PolarHBondContact O-N 3.38Å | ||
| 267 | A | 39 | Very low | 69.3 | Low | 102 Ų | 102 | 76 Ų | 76 | 84% | 0.843 | 44% | 0.437 | S | S | * | . | trans | -81.3 | 102.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 268 | D | 48.8 | Very low | 69 | Low | 151 Ų | 151 | 71.9 Ų | 71.9 | 81% | 0.807 | 42% | 0.418 | S | S | * | . | trans | -144.6 | 137.3 | 146.8 | -102.2 | -42.8 | 0 | 0 | 0 | 109.4 | S266 I270 | S266-D268 PolarHBondContact O-N 3.38Å; D268-I270 PolarHBondContact O-N 3.31Å; D268-I270 VanDerWaalsContact O-N 3.11Å | ||
| 269 | T | 54.7 | Low | 68.4 | Low | 146 Ų | 146 | 71.9 Ų | 71.9 | 90% | 0.896 | 42% | 0.417 | S | S | * | . | trans | -90 | 78.3 | -160.7 | 51.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 270 | I | 65 | Low | 67.6 | Low | 99 Ų | 99 | 74.3 Ų | 74.3 | 51% | 0.508 | 43% | 0.433 | S | S | . | . | trans | -107.7 | 108 | 168.7 | -57.9 | -179.9 | 0 | 0 | 0 | 109.4 | D268 W323 P324 | D268-I270 PolarHBondContact O-N 3.31Å; D268-I270 VanDerWaalsContact O-N 3.11Å; I270-W323 HydrophobicContact CG2-CB 4.25Å; I270-P324 HydrophobicContact CG2-CB 4.32Å; I270-P324 HydrophobicContact CG2-CG 4.2Å | ||
| 271 | T | 70.8 | Confident | 66.7 | Low | 80 Ų | 80 | 78.7 Ų | 78.7 | 49% | 0.491 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -71 | 131.3 | 174.2 | 51.5 | 0 | 0 | 0 | 0 | 110.5 | P324 | T271-P324 WeakPolarHBondContact O-CD 3.49Š|
| 272 | P | 78.7 | Confident | 65.9 | Low | 20 Ų | 20 | 79 Ų | 79 | 13% | 0.13 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 144.8 | 177.2 | 28.4 | -33.7 | 0 | 0 | 0 | 111.5 | T302 I321 S322 W323 | P272-T302 HydrophobicContact CG-CG2 4.06Å; P272-I321 HydrophobicContact CB-CD1 3.82Å; P272-I321 HydrophobicContact CB-CG1 3.76Å; P272-I321 HydrophobicContact CG-CD1 4.18Å; P272-S322 CarbonylContact C-O 3.48Å; P272-S322 VanDerWaalsContact CA-O 3.3Å; P272-S322 WeakPolarHBondContact CA-O 3.4Å; P272-W323 HydrophobicContact CB-CZ2 4.46Å |
| 273 | I | 84 | Confident | 65.2 | Low | 87 Ų | 87 | 77.3 Ų | 77.3 | 45% | 0.446 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 116.6 | 166 | -64.5 | 166.2 | 0 | 0 | 0 | 107 | V275 I321 S322 P324 | I273-V275 HydrophobicContact CG2-CG2 4.14Å; I273-I321 WeakPolarHBondContact O-CA 3.13Å; I273-S322 PolarHBondContact N-O 3.36Å; I273-S322 PolarHBondContact O-N 3.04Å; I273-P324 HydrophobicContact CD1-CG 3.9Å; I273-P324 HydrophobicContact CG1-CG 4.1Å |
| 274 | T | 87.8 | Confident | 65.4 | Low | 15 Ų | 15 | 77.3 Ų | 77.3 | 9% | 0.092 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130 | 172.7 | -49.2 | 0 | 0 | 0 | 0 | 110.5 | C258 D301 C319 E320 | C258-T274 HydrophobicContact CB-CG2 3.99Å; T274-D301 WeakPolarHBondContact CB-O 3.47Å; T274-D301 WeakPolarHBondContact CG2-O 3.25Å; T274-C319 HydrophobicContact CG2-CB 4.31Å; T274-E320 CarbonylContact C-O 3.59Å; T274-E320 VanDerWaalsContact CA-O 3.26Å; T274-E320 WeakPolarHBondContact CA-O 3.4Å |
| 275 | V | 88.3 | Confident | 66.2 | Low | 68 Ų | 68 | 77.8 Ų | 77.8 | 41% | 0.412 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120.6 | 178.8 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | I273 C319 E320 | I273-V275 HydrophobicContact CG2-CG2 4.14Å; V275-C319 WeakPolarHBondContact O-CA 3.49Å; V275-E320 HydrophobicContact CB-CB 4.31Å; V275-E320 PolarHBondContact N-O 3.32Å; V275-E320 PolarHBondContact O-N 2.81Å |
| 276 | W | 91.2 | Very high | 67.4 | Low | 11 Ų | 11 | 70.8 Ų | 70.8 | 4% | 0.042 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133.6 | 179.3 | -71.3 | 87.3 | 0 | 0 | 0 | 112.7 | L256 C258 V289 F297 D301 L304 T318 C319 F334 | L256-W276 HydrophobicContact CB-CH2 3.53Å; L256-W276 HydrophobicContact CB-CZ3 3.76Å; L256-W276 HydrophobicContact CD1-CZ3 3.98Å; L256-W276 WeakPolarHBondContact O-CH2 3.31Å; C258-W276 HydrophobicContact CB-CH2 4.39Å; C258-W276 HydrophobicContact CB-CZ2 3.84Å; W276-V289 HydrophobicContact CB-CB 4.45Å; W276-V289 HydrophobicContact CB-CG1 3.92Å; W276-V289 HydrophobicContact CB-CG2 3.64Å; W276-V289 PolarHBondContact O-N 3.36Å; W276-F297 HydrophobicContact CB-CE1 4.05Å; W276-F297 AromaticContact CD1-CD1 4Å; W276-F297 AromaticContact CD1-CE1 3.71Å; W276-F297 HydrophobicContact CG-CE1 4.08Å; W276-D301 PolarHBondContact NE1-O 3.14Å; W276-L304 HydrophobicContact CB-CD1 4.27Å; W276-L304 HydrophobicContact CD2-CB 3.69Å; W276-L304 HydrophobicContact CD2-CD1 4.33Å; W276-L304 HydrophobicContact CD2-CD2 4.29Å; W276-L304 HydrophobicContact CD2-CG 4.34Å; W276-L304 HydrophobicContact CE3-CB 3.76Å; W276-L304 HydrophobicContact CE3-CD2 3.85Å; W276-L304 HydrophobicContact CE3-CG 4.32Å; W276-L304 HydrophobicContact CG-CB 4.32Å; W276-L304 HydrophobicContact CG-CD1 4.14Å; W276-L304 HydrophobicContact CH2-CB 3.98Å; W276-L304 HydrophobicContact CZ2-CB 3.89Å; W276-L304 HydrophobicContact CZ3-CB 3.91Å; W276-L304 HydrophobicContact CZ3-CD2 4.32Å; W276-T318 CarbonylContact C-O 3.48Å; W276-T318 VanDerWaalsContact CA-O 3.29Å; W276-T318 WeakPolarHBondContact CA-O 3.29Å; W276-T318 VanDerWaalsContact CE3-O 3.3Å; W276-C319 HydrophobicContact CD2-CB 3.63Å; W276-C319 HydrophobicContact CE3-CB 3.63Å; W276-C319 HydrophobicContact CG-CB 4.38Å; W276-C319 HydrophobicContact CH2-CB 3.72Å; W276-C319 HydrophobicContact CZ2-CB 3.73Å; W276-C319 HydrophobicContact CZ3-CB 3.68Å; W276-F334 HydrophobicContact CH2-CD2 4.29Å; W276-F334 AromaticContact CH2-CE2 3.77Å; W276-F334 HydrophobicContact CH2-CE2 3.77Å; W276-F334 HydrophobicContact CH2-CZ 4.26Å; W276-F334 AromaticContact CZ3-CD2 3.83Å; W276-F334 HydrophobicContact CZ3-CD2 3.83Å; W276-F334 AromaticContact CZ3-CE2 3.73Å; W276-F334 HydrophobicContact CZ3-CE2 3.73Å |
| 277 | G | 86.3 | Confident | 69.2 | Low | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 165.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q287 V289 Y317 T318 | G277-Q287 CarbonylContact C-O 3.54Å; G277-Q287 VanDerWaalsContact CA-O 3.27Å; G277-Q287 WeakPolarHBondContact CA-O 3.44Å; G277-V289 VanDerWaalsContact C-CG1 3.49Å; G277-V289 WeakPolarHBondContact O-CG1 3.26Å; G277-Y317 CarbonylContact O-C 3.54Å; G277-Y317 WeakPolarHBondContact O-CA 3.13Å; G277-T318 VanDerWaalsContact C-OG1 3.29Å; G277-T318 VanDerWaalsContact CA-OG1 3.3Å; G277-T318 WeakPolarHBondContact CA-OG1 3.48Å; G277-T318 PolarHBondContact N-O 2.92Å; G277-T318 PolarHBondContact O-N 3.42Å; G277-T318 PolarHBondContact O-OG1 2.91Å |
| 278 | L | 85.8 | Confident | 71.2 | Confident | 6 Ų | 6 | 69 Ų | 69 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.2 | -177.5 | -175.3 | 73.4 | 0 | 0 | 0 | 109.6 | Q286 Q287 V289 L292 S315 Y317 | L278-Q286 WeakPolarHBondContact O-CA 3.43Å; L278-Q287 HydrophobicContact CB-CB 4.45Å; L278-Q287 PolarHBondContact N-O 3.16Å; L278-Q287 PolarHBondContact O-N 3.5Å; L278-V289 HydrophobicContact CB-CG1 4.26Å; L278-L292 HydrophobicContact CD1-CD1 3.7Å; L278-L292 HydrophobicContact CD2-CD1 3.79Å; L278-L292 HydrophobicContact CD2-CD2 4.05Å; L278-L292 HydrophobicContact CD2-CG 3.82Å; L278-L292 HydrophobicContact CG-CD1 4.37Å; L278-S315 VanDerWaalsContact CD1-CB 3.45Å; L278-S315 WeakPolarHBondContact CD1-OG 3.31Å; L278-Y317 HydrophobicContact CD1-CD1 3.94Å; L278-Y317 HydrophobicContact CD1-CE1 3.57Å; L278-Y317 HydrophobicContact CD1-CE2 4.25Å; L278-Y317 HydrophobicContact CD1-CG 4.44Å |
| 279 | M | 74.2 | Confident | 73.1 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 100.3 | 172.1 | -74.7 | -174.3 | -68.3 | 0 | 0 | 109 | R281 L282 Q286 S315 F316 T318 L333 | M279-R281 PolarHBondContact O-N 3.41Å; M279-R281 VanDerWaalsContact O-N 3.12Å; M279-L282 HydrophobicContact CE-CD1 3.81Å; M279-Q286 HydrophobicContact CG-CB 4.28Å; M279-S315 PolarHBondContact O-OG 3.41Å; M279-F316 HydrophobicContact CB-CB 4.17Å; M279-F316 PolarHBondContact N-O 2.83Å; M279-F316 PolarHBondContact O-N 3.22Å; M279-T318 HydrophobicContact CE-CG2 3.71Å; M279-L333 HydrophobicContact CE-CD1 3.47Å; M279-L333 VanDerWaalsContact CE-CD1 3.47Å |
| 280 | P | 66.2 | Low | 74.2 | Confident | 58 Ų | 58 | 59.4 Ų | 59.4 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -54.9 | -32.2 | -178.5 | -26.9 | 35.6 | 0 | 0 | 0 | 113.4 | ||
| 281 | R | 60.3 | Low | 74.8 | Confident | 178 Ų | 178 | 58.5 Ų | 58.5 | 67% | 0.672 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -133.6 | 146.5 | 158.7 | -52 | -177.6 | 175.8 | 146.7 | -9.5 | 110.2 | M279 G283 E284 | M279-R281 PolarHBondContact O-N 3.41Å; M279-R281 VanDerWaalsContact O-N 3.12Å; R281-G283 PolarHBondContact O-N 3.24Å; R281-E284 HydrophobicContact CB-CG 4.02Å; R281-E284 VanDerWaalsContact CD-OE1 3.31Å; R281-E284 WeakPolarHBondContact CD-OE1 3.41Å; R281-E284 PolarHBondContact N-OE2 3.32Å; R281-E284 VanDerWaalsContact N-OE2 3.07Å; R281-E284 IonicContact NH1-OE1 3.72Å; R281-E284 WeakPolarHBondContact O-CB 3.36Å; R281-E284 PolarHBondContact O-N 3.42Å |
| 282 | L | 53.1 | Low | 75.3 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 10% | 0.099 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 124.6 | 179.5 | -162.1 | 76.3 | 0 | 0 | 0 | 111.3 | F175 H207 R209 M279 F316 L333 | F175-L282 HydrophobicContact CD1-CD2 3.62Å; F175-L282 HydrophobicContact CD1-CG 3.76Å; F175-L282 HydrophobicContact CD2-CD2 3.74Å; F175-L282 HydrophobicContact CE1-CB 4.16Å; F175-L282 HydrophobicContact CE1-CD2 3.46Å; F175-L282 VanDerWaalsContact CE1-CD2 3.46Å; F175-L282 HydrophobicContact CE1-CG 3.53Å; F175-L282 HydrophobicContact CE2-CD2 3.62Å; F175-L282 HydrophobicContact CG-CD2 3.77Å; F175-L282 HydrophobicContact CG-CG 4.38Å; F175-L282 HydrophobicContact CZ-CB 4.44Å; F175-L282 HydrophobicContact CZ-CD2 3.49Å; F175-L282 VanDerWaalsContact CZ-CD2 3.49Å; F175-L282 HydrophobicContact CZ-CG 4.01Å; H207-L282 WeakPolarHBondContact NE2-CD2 3.48Å; R209-L282 VanDerWaalsContact NH2-CD2 3.33Å; M279-L282 HydrophobicContact CE-CD1 3.81Å; L282-F316 HydrophobicContact CB-CD2 4.07Å; L282-F316 HydrophobicContact CB-CE2 4.17Å; L282-F316 HydrophobicContact CB-CG 4.32Å; L282-F316 HydrophobicContact CB-CZ 4.49Å; L282-F316 HydrophobicContact CD1-CB 4.22Å; L282-F316 HydrophobicContact CD1-CD1 4Å; L282-F316 HydrophobicContact CD1-CG 3.97Å; L282-L333 HydrophobicContact CD1-CD1 3.8Å; L282-L333 HydrophobicContact CD1-CD2 3.56Å; L282-L333 HydrophobicContact CD1-CG 4.33Å |
| 283 | G | 47 | Very low | 75.6 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 36% | 0.361 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 1.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R281 | R281-G283 PolarHBondContact O-N 3.24Š|
| 284 | E | 60.2 | Low | 75.9 | Confident | 75 Ų | 75 | 64.6 Ų | 64.6 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -79.1 | 163.1 | 158.4 | -67.5 | 175.8 | 173.6 | 0 | 0 | 110.2 | R281 Q286 | R281-E284 HydrophobicContact CB-CG 4.02Å; R281-E284 VanDerWaalsContact CD-OE1 3.31Å; R281-E284 WeakPolarHBondContact CD-OE1 3.41Å; R281-E284 PolarHBondContact N-OE2 3.32Å; R281-E284 VanDerWaalsContact N-OE2 3.07Å; R281-E284 IonicContact NH1-OE1 3.72Å; R281-E284 WeakPolarHBondContact O-CB 3.36Å; R281-E284 PolarHBondContact O-N 3.42Å; E284-Q286 PolarHBondContact O-N 3.21Å |
| 285 | Q | 63.3 | Low | 75.9 | Confident | 170 Ų | 170 | 65.4 Ų | 65.4 | 79% | 0.794 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 130.6 | -178.9 | -177.6 | 175.6 | -5.4 | 0 | 0 | 111.4 | Q287 | Q285-Q287 PolarHBondContact O-N 3.23Š|
| 286 | Q | 69.7 | Low | 75.9 | Confident | 70 Ų | 70 | 67.7 Ų | 67.7 | 33% | 0.327 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 121.3 | 174.7 | -177.4 | 178.7 | -26.5 | 0 | 0 | 110.9 | L278 M279 E284 T318 | L278-Q286 WeakPolarHBondContact O-CA 3.43Å; M279-Q286 HydrophobicContact CG-CB 4.28Å; E284-Q286 PolarHBondContact O-N 3.21Å; Q286-T318 PolarHBondContact NE2-OG1 2.96Å |
| 287 | Q | 78 | Confident | 75.9 | Confident | 84 Ų | 84 | 71.9 Ų | 71.9 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 154.6 | 172.1 | -59.6 | 177.6 | 15.6 | 0 | 0 | 109 | G277 L278 Q285 | G277-Q287 CarbonylContact C-O 3.54Å; G277-Q287 VanDerWaalsContact CA-O 3.27Å; G277-Q287 WeakPolarHBondContact CA-O 3.44Å; L278-Q287 HydrophobicContact CB-CB 4.45Å; L278-Q287 PolarHBondContact N-O 3.16Å; L278-Q287 PolarHBondContact O-N 3.5Å; Q285-Q287 PolarHBondContact O-N 3.23Å |
| 288 | P | 82.8 | Confident | 75.9 | Confident | 75 Ų | 75 | 73.4 Ų | 73.4 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 139.5 | 171.7 | 30 | -33.8 | 0 | 0 | 0 | 110.1 | S290 T291 | P288-S290 PolarHBondContact O-N 2.78Å; P288-T291 HydrophobicContact CG-CG2 4.38Å; P288-T291 PolarHBondContact O-N 3.21Å; P288-T291 PolarHBondContact O-OG1 2.87Å |
| 289 | V | 87.3 | Confident | 75.9 | Confident | 3 Ų | 3 | 77.8 Ų | 77.8 | 2% | 0.018 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -61.8 | -16.7 | -179.9 | -65.9 | 0 | 0 | 0 | 0 | 114 | W276 G277 L278 T291 L292 I295 F297 L304 Y317 | W276-V289 HydrophobicContact CB-CB 4.45Å; W276-V289 HydrophobicContact CB-CG1 3.92Å; W276-V289 HydrophobicContact CB-CG2 3.64Å; W276-V289 PolarHBondContact O-N 3.36Å; G277-V289 VanDerWaalsContact C-CG1 3.49Å; G277-V289 WeakPolarHBondContact O-CG1 3.26Å; L278-V289 HydrophobicContact CB-CG1 4.26Å; V289-T291 PolarHBondContact O-N 2.95Å; V289-L292 PolarHBondContact O-N 3.43Å; V289-I295 HydrophobicContact CB-CD1 4.08Å; V289-F297 HydrophobicContact CG2-CE1 3.89Å; V289-F297 HydrophobicContact CG2-CZ 3.58Å; V289-L304 HydrophobicContact CB-CD1 4.37Å; V289-L304 HydrophobicContact CG1-CD2 4.16Å; V289-L304 HydrophobicContact CG2-CD1 3.82Å; V289-Y317 HydrophobicContact CG1-CD1 3.97Å; V289-Y317 HydrophobicContact CG1-CE1 4.35Å |
| 290 | S | 79 | Confident | 76.3 | Confident | 93 Ų | 93 | 84 Ų | 84 | 65% | 0.65 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -64 | -4.1 | 175.3 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | P288 L292 | P288-S290 PolarHBondContact O-N 2.78Å; S290-L292 VanDerWaalsContact C-N 3.3Å |
| 291 | T | 77.5 | Confident | 77.2 | Confident | 80 Ų | 80 | 85.2 Ų | 85.2 | 49% | 0.491 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -76 | -16.9 | 168 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | P288 V289 | P288-T291 HydrophobicContact CG-CG2 4.38Å; P288-T291 PolarHBondContact O-N 3.21Å; P288-T291 PolarHBondContact O-OG1 2.87Å; V289-T291 PolarHBondContact O-N 2.95Å |
| 292 | L | 81.3 | Confident | 78.5 | Confident | 37 Ų | 37 | 77 Ų | 77 | 19% | 0.194 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -92.3 | 160.4 | 179.4 | -63.9 | 177.9 | 0 | 0 | 0 | 112.4 | L278 V289 S290 I295 Y317 | L278-L292 HydrophobicContact CD1-CD1 3.7Å; L278-L292 HydrophobicContact CD2-CD1 3.79Å; L278-L292 HydrophobicContact CD2-CD2 4.05Å; L278-L292 HydrophobicContact CD2-CG 3.82Å; L278-L292 HydrophobicContact CG-CD1 4.37Å; V289-L292 PolarHBondContact O-N 3.43Å; S290-L292 VanDerWaalsContact C-N 3.3Å; L292-I295 HydrophobicContact CB-CD1 3.72Å; L292-I295 HydrophobicContact CB-CG1 4.11Å; L292-I295 HydrophobicContact CD1-CD1 3.87Å; L292-I295 HydrophobicContact CG-CD1 4.39Å; L292-Y317 HydrophobicContact CD1-CE1 3.82Å; L292-Y317 VanDerWaalsContact CD1-OH 3.29Å; L292-Y317 WeakPolarHBondContact CD1-OH 3.18Å |
| 293 | R | 85.3 | Confident | 80.3 | Confident | 202 Ų | 202 | 77.2 Ų | 77.2 | 76% | 0.762 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -95.8 | 168.8 | 175.5 | -62.5 | -175.3 | -175.8 | -176.8 | 1.5 | 110.5 | I295 H313 | R293-I295 PolarHBondContact O-N 3.21Å; R293-H313 PolarHBondContact O-NE2 3.17Å |
| 294 | D | 88.3 | Confident | 82.5 | Confident | 75 Ų | 75 | 75.5 Ų | 75.5 | 40% | 0.401 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 59.1 | 5.6 | 175.1 | -54.3 | -18 | 0 | 0 | 0 | 115.4 | N307 N308 | D294-N307 HydrophobicContact CB-CB 4.2Å; D294-N307 VanDerWaalsContact CB-O 3.28Å; D294-N307 WeakPolarHBondContact CB-O 3.48Å; D294-N307 WeakPolarHBondContact O-CB 3.39Å; D294-N307 PolarHBondContact O-N 3.13Å; D294-N307 PolarHBondContact O-ND2 2.78Å; D294-N308 HydrophobicContact CB-CB 4.47Å; D294-N308 PolarHBondContact OD2-ND2 3.48Å |
| 295 | I | 88.5 | Confident | 84.1 | Confident | 33 Ų | 33 | 73.1 Ų | 73.1 | 17% | 0.169 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 138.7 | 174.8 | -67.1 | -160.3 | 0 | 0 | 0 | 111.5 | V289 L292 R293 L304 V305 I306 Y317 | V289-I295 HydrophobicContact CB-CD1 4.08Å; L292-I295 HydrophobicContact CB-CD1 3.72Å; L292-I295 HydrophobicContact CB-CG1 4.11Å; L292-I295 HydrophobicContact CD1-CD1 3.87Å; L292-I295 HydrophobicContact CG-CD1 4.39Å; R293-I295 PolarHBondContact O-N 3.21Å; I295-L304 HydrophobicContact CD1-CD1 4.35Å; I295-L304 HydrophobicContact CD1-CD2 4.34Å; I295-L304 HydrophobicContact CG2-CD1 3.5Å; I295-L304 VanDerWaalsContact CG2-CD1 3.5Å; I295-L304 HydrophobicContact CG2-CG 4.29Å; I295-V305 CarbonylContact C-O 3.54Å; I295-V305 WeakPolarHBondContact CA-O 3.44Å; I295-I306 HydrophobicContact CD1-CG1 4.14Å; I295-I306 HydrophobicContact CG1-CG1 4.11Å; I295-I306 HydrophobicContact CG1-CG2 4.39Å; I295-Y317 HydrophobicContact CD1-CE1 4.4Å |
| 296 | Q | 89.5 | Confident | 85.5 | Confident | 116 Ų | 116 | 65 Ų | 65 | 54% | 0.542 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146.4 | 170.9 | -68.1 | 171.4 | -19.1 | 0 | 0 | 109 | V305 N307 | Q296-V305 HydrophobicContact CB-CB 4.36Å; Q296-V305 PolarHBondContact N-O 2.72Å; Q296-V305 PolarHBondContact O-N 3.2Å; Q296-N307 VanDerWaalsContact CD-ND2 3.29Å; Q296-N307 PolarHBondContact OE1-ND2 3Å |
| 297 | F | 90.8 | Very high | 86.5 | Confident | 99 Ų | 99 | 63.6 Ų | 63.6 | 43% | 0.434 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 145.2 | 169.1 | -62.2 | -74.6 | 0 | 0 | 0 | 110 | W276 V289 D301 K303 L304 | W276-F297 HydrophobicContact CB-CE1 4.05Å; W276-F297 AromaticContact CD1-CD1 4Å; W276-F297 AromaticContact CD1-CE1 3.71Å; W276-F297 HydrophobicContact CG-CE1 4.08Å; V289-F297 HydrophobicContact CG2-CE1 3.89Å; V289-F297 HydrophobicContact CG2-CZ 3.58Å; F297-D301 WeakPolarHBondContact CB-OD1 3.36Å; F297-K303 WeakPolarHBondContact CA-O 3.35Å; F297-L304 HydrophobicContact CD1-CD1 3.88Å; F297-L304 HydrophobicContact CE1-CD1 3.49Å; F297-L304 VanDerWaalsContact CE1-CD1 3.49Å; F297-L304 HydrophobicContact CZ-CD1 4.23Å |
| 298 | A | 86.8 | Confident | 87 | Confident | 31 Ų | 31 | 63.9 Ų | 63.9 | 26% | 0.256 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 164.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q300 D301 T302 K303 V305 | A298-Q300 PolarHBondContact O-N 3.39Å; A298-D301 PolarHBondContact O-N 2.89Å; A298-T302 PolarHBondContact O-N 2.99Å; A298-K303 HydrophobicContact CB-CB 4.03Å; A298-K303 PolarHBondContact N-O 2.8Å; A298-K303 PolarHBondContact O-N 2.77Å; A298-K303 VanDerWaalsContact O-N 3.08Å; A298-V305 HydrophobicContact CB-CG2 4.11Å |
| 299 | D | 85.4 | Confident | 87.3 | Confident | 99 Ų | 99 | 60.3 Ų | 60.3 | 53% | 0.529 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 58.8 | 177.4 | -61 | -12.9 | 0 | 0 | 0 | 113.5 | T302 K303 | D299-T302 WeakPolarHBondContact O-CB 3.46Å; D299-T302 WeakPolarHBondContact O-CG2 3.42Å; D299-T302 PolarHBondContact O-N 3.43Å; D299-T302 PolarHBondContact O-OG1 2.86Å; D299-K303 HydrophobicContact CB-CD 4.01Å; D299-K303 HydrophobicContact CB-CG 4.31Å; D299-K303 VanDerWaalsContact OD2-CD 3.27Å; D299-K303 WeakPolarHBondContact OD2-CD 3.45Å; D299-K303 WeakPolarHBondContact OD2-CE 3.22Å; D299-K303 IonicContact OD2-NZ 3.88Å; D299-K303 PolarHBondContact OD2-NZ 2.86Å |
| 300 | Q | 81.2 | Confident | 87.2 | Confident | 131 Ų | 131 | 61.7 Ų | 61.7 | 61% | 0.612 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 48.4 | -178.5 | -57.8 | 179.7 | -10.2 | 0 | 0 | 113 | A298 T302 | A298-Q300 PolarHBondContact O-N 3.39Å; Q300-T302 PolarHBondContact O-N 2.79Å |
| 301 | D | 86 | Confident | 87.1 | Confident | 84 Ų | 84 | 62.2 Ų | 62.2 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 1.7 | -176.7 | -51.6 | -31.1 | 0 | 0 | 0 | 115.4 | T274 W276 F297 A298 K303 | T274-D301 WeakPolarHBondContact CB-O 3.47Å; T274-D301 WeakPolarHBondContact CG2-O 3.25Å; W276-D301 PolarHBondContact NE1-O 3.14Å; F297-D301 WeakPolarHBondContact CB-OD1 3.36Å; A298-D301 PolarHBondContact O-N 2.89Å; D301-K303 PolarHBondContact O-N 2.86Å; D301-K303 VanDerWaalsContact O-N 3.15Å |
| 302 | T | 88 | Confident | 87.3 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 4% | 0.043 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -11.1 | 175.2 | 70.4 | 0 | 0 | 0 | 0 | 112.7 | C258 P272 A298 D299 Q300 | C258-T302 WeakPolarHBondContact CB-O 3.36Å; C258-T302 PolarHBondContact N-O 2.85Å; P272-T302 HydrophobicContact CG-CG2 4.06Å; A298-T302 PolarHBondContact O-N 2.99Å; D299-T302 WeakPolarHBondContact O-CB 3.46Å; D299-T302 WeakPolarHBondContact O-CG2 3.42Å; D299-T302 PolarHBondContact O-N 3.43Å; D299-T302 PolarHBondContact O-OG1 2.86Å; Q300-T302 PolarHBondContact O-N 2.79Å |
| 303 | K | 91.3 | Very high | 87.7 | Confident | 22 Ų | 22 | 64 Ų | 64 | 10% | 0.096 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 140 | 177.3 | -67.5 | -180 | 173.6 | 178.9 | 0 | 113.6 | E255 L256 E257 F297 A298 D299 D301 | E255-K303 HydrophobicContact CG-CD 4.27Å; E255-K303 VanDerWaalsContact OE1-CD 3.26Å; E255-K303 WeakPolarHBondContact OE1-CD 3.3Å; E255-K303 VanDerWaalsContact OE1-CE 3.26Å; E255-K303 WeakPolarHBondContact OE1-CE 3.25Å; E255-K303 IonicContact OE1-NZ 3.04Å; E255-K303 PolarHBondContact OE1-NZ 2.79Å; L256-K303 CarbonylContact O-C 3.53Å; L256-K303 VanDerWaalsContact O-CA 3.26Å; L256-K303 WeakPolarHBondContact O-CA 3.49Å; E257-K303 HydrophobicContact CB-CG 4.06Å; E257-K303 HydrophobicContact CG-CD 4.47Å; E257-K303 HydrophobicContact CG-CG 4.02Å; E257-K303 WeakPolarHBondContact OE1-CE 3.41Å; E257-K303 IonicContact OE1-NZ 3.29Å; F297-K303 WeakPolarHBondContact CA-O 3.35Å; A298-K303 HydrophobicContact CB-CB 4.03Å; A298-K303 PolarHBondContact N-O 2.8Å; A298-K303 PolarHBondContact O-N 2.77Å; A298-K303 VanDerWaalsContact O-N 3.08Å; D299-K303 HydrophobicContact CB-CD 4.01Å; D299-K303 HydrophobicContact CB-CG 4.31Å; D299-K303 VanDerWaalsContact OD2-CD 3.27Å; D299-K303 WeakPolarHBondContact OD2-CD 3.45Å; D299-K303 WeakPolarHBondContact OD2-CE 3.22Å; D299-K303 IonicContact OD2-NZ 3.88Å; D299-K303 PolarHBondContact OD2-NZ 2.86Å; D301-K303 PolarHBondContact O-N 2.86Å; D301-K303 VanDerWaalsContact O-N 3.15Å |
| 304 | L | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 114.4 | 170.3 | -166.8 | 76.2 | 0 | 0 | 0 | 109.8 | L256 W276 V289 I295 F297 I306 Y317 | L256-L304 HydrophobicContact CB-CB 4.31Å; L256-L304 HydrophobicContact CD1-CD2 4.22Å; L256-L304 PolarHBondContact N-O 3.08Å; L256-L304 PolarHBondContact O-N 2.95Å; W276-L304 HydrophobicContact CB-CD1 4.27Å; W276-L304 HydrophobicContact CD2-CB 3.69Å; W276-L304 HydrophobicContact CD2-CD1 4.33Å; W276-L304 HydrophobicContact CD2-CD2 4.29Å; W276-L304 HydrophobicContact CD2-CG 4.34Å; W276-L304 HydrophobicContact CE3-CB 3.76Å; W276-L304 HydrophobicContact CE3-CD2 3.85Å; W276-L304 HydrophobicContact CE3-CG 4.32Å; W276-L304 HydrophobicContact CG-CB 4.32Å; W276-L304 HydrophobicContact CG-CD1 4.14Å; W276-L304 HydrophobicContact CH2-CB 3.98Å; W276-L304 HydrophobicContact CZ2-CB 3.89Å; W276-L304 HydrophobicContact CZ3-CB 3.91Å; W276-L304 HydrophobicContact CZ3-CD2 4.32Å; V289-L304 HydrophobicContact CB-CD1 4.37Å; V289-L304 HydrophobicContact CG1-CD2 4.16Å; V289-L304 HydrophobicContact CG2-CD1 3.82Å; I295-L304 HydrophobicContact CD1-CD1 4.35Å; I295-L304 HydrophobicContact CD1-CD2 4.34Å; I295-L304 HydrophobicContact CG2-CD1 3.5Å; I295-L304 VanDerWaalsContact CG2-CD1 3.5Å; I295-L304 HydrophobicContact CG2-CG 4.29Å; F297-L304 HydrophobicContact CD1-CD1 3.88Å; F297-L304 HydrophobicContact CE1-CD1 3.49Å; F297-L304 VanDerWaalsContact CE1-CD1 3.49Å; F297-L304 HydrophobicContact CZ-CD1 4.23Å; L304-I306 HydrophobicContact CD2-CD1 4.38Å; L304-I306 HydrophobicContact CD2-CG1 4.24Å; L304-I306 HydrophobicContact CG-CG1 4.39Å; L304-Y317 HydrophobicContact CD2-CD1 3.49Å; L304-Y317 VanDerWaalsContact CD2-CD1 3.49Å; L304-Y317 HydrophobicContact CD2-CE1 3.88Å; L304-Y317 HydrophobicContact CD2-CG 4.37Å |
| 305 | V | 93.4 | Very high | 87.3 | Confident | 24 Ų | 24 | 54 Ų | 54 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 109 | 174.1 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | V254 E255 I295 Q296 A298 | V254-V305 WeakPolarHBondContact O-CA 3.05Å; E255-V305 HydrophobicContact CG-CG2 4.32Å; I295-V305 CarbonylContact C-O 3.54Å; I295-V305 WeakPolarHBondContact CA-O 3.44Å; Q296-V305 HydrophobicContact CB-CB 4.36Å; Q296-V305 PolarHBondContact N-O 2.72Å; Q296-V305 PolarHBondContact O-N 3.2Å; A298-V305 HydrophobicContact CB-CG2 4.11Å |
| 306 | I | 92.9 | Very high | 87 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 108 | 172.2 | -51.1 | 163.8 | 0 | 0 | 0 | 106.8 | S253 V254 I295 L304 F309 H313 Y317 | S253-I306 CarbonylContact C-O 3.57Å; S253-I306 WeakPolarHBondContact CA-O 3.46Å; V254-I306 HydrophobicContact CG1-CB 3.81Å; V254-I306 HydrophobicContact CG1-CD1 4.03Å; V254-I306 HydrophobicContact CG1-CG1 4.33Å; V254-I306 PolarHBondContact N-O 2.91Å; V254-I306 PolarHBondContact O-N 2.94Å; I295-I306 HydrophobicContact CD1-CG1 4.14Å; I295-I306 HydrophobicContact CG1-CG1 4.11Å; I295-I306 HydrophobicContact CG1-CG2 4.39Å; L304-I306 HydrophobicContact CD2-CD1 4.38Å; L304-I306 HydrophobicContact CD2-CG1 4.24Å; L304-I306 HydrophobicContact CG-CG1 4.39Å; I306-F309 HydrophobicContact CG2-CD2 4.18Å; I306-H313 HydrophobicContact CG2-CB 4.06Å; I306-Y317 HydrophobicContact CD1-CD1 4.44Å; I306-Y317 HydrophobicContact CD1-CE1 3.71Å; I306-Y317 HydrophobicContact CD1-CE2 3.98Å; I306-Y317 VanDerWaalsContact CD1-CZ 3.45Å; I306-Y317 WeakPolarHBondContact CD1-OH 3.28Å |
| 307 | N | 91 | Very high | 86.9 | Confident | 41 Ų | 41 | 48.2 Ų | 48.2 | 22% | 0.219 | 25% | 0.249 | C | C | . | . | trans | -79.1 | 160.9 | 174 | -65.2 | -77.6 | 0 | 0 | 0 | 111.1 | S253 D294 Q296 F309 | S253-N307 WeakPolarHBondContact OG-CA 3.44Å; S253-N307 PolarHBondContact OG-OD1 2.83Å; D294-N307 HydrophobicContact CB-CB 4.2Å; D294-N307 VanDerWaalsContact CB-O 3.28Å; D294-N307 WeakPolarHBondContact CB-O 3.48Å; D294-N307 WeakPolarHBondContact O-CB 3.39Å; D294-N307 PolarHBondContact O-N 3.13Å; D294-N307 PolarHBondContact O-ND2 2.78Å; Q296-N307 VanDerWaalsContact CD-ND2 3.29Å; Q296-N307 PolarHBondContact OE1-ND2 3Å; N307-F309 VanDerWaalsContact C-N 3.31Å; N307-F309 PolarHBondContact O-N 2.89Å; N307-F309 VanDerWaalsContact O-N 3.15Å | ||
| 308 | N | 87.5 | Confident | 86.5 | Confident | 89 Ų | 89 | 43.5 Ų | 43.5 | 48% | 0.476 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 48.9 | 48.5 | 168.2 | -179 | 52.1 | 0 | 0 | 0 | 113.5 | D294 D310 | D294-N308 HydrophobicContact CB-CB 4.47Å; D294-N308 PolarHBondContact OD2-ND2 3.48Å; N308-D310 PolarHBondContact O-N 2.87Å |
| 309 | F | 88.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -54.3 | 135.2 | -170.7 | -171.6 | -90.1 | 0 | 0 | 0 | 112.7 | V248 R250 G251 R252 V254 I306 N307 H313 V314 V336 L338 | V248-F309 HydrophobicContact CB-CB 4.31Å; V248-F309 HydrophobicContact CB-CD1 3.7Å; V248-F309 HydrophobicContact CB-CD2 4.28Å; V248-F309 HydrophobicContact CB-CE1 4.04Å; V248-F309 HydrophobicContact CB-CG 3.83Å; V248-F309 HydrophobicContact CB-CZ 4.47Å; V248-F309 HydrophobicContact CG1-CB 3.56Å; V248-F309 HydrophobicContact CG1-CD1 3.9Å; V248-F309 HydrophobicContact CG1-CD2 4.26Å; V248-F309 HydrophobicContact CG1-CG 3.65Å; V248-F309 HydrophobicContact CG2-CD2 4.49Å; R250-F309 CarbonylContact C-O 3.55Å; R250-F309 VanDerWaalsContact CA-O 3.3Å; R250-F309 WeakPolarHBondContact CA-O 3.32Å; G251-F309 PolarHBondContact N-O 2.77Å; R252-F309 WeakPolarHBondContact O-CB 3.37Å; R252-F309 PolarHBondContact O-N 2.98Å; V254-F309 HydrophobicContact CG1-CD2 3.91Å; V254-F309 HydrophobicContact CG1-CE2 4.49Å; I306-F309 HydrophobicContact CG2-CD2 4.18Å; N307-F309 VanDerWaalsContact C-N 3.31Å; N307-F309 PolarHBondContact O-N 2.89Å; N307-F309 VanDerWaalsContact O-N 3.15Å; F309-H313 HydrophobicContact CD2-CB 3.58Å; F309-H313 HydrophobicContact CE2-CB 3.45Å; F309-H313 VanDerWaalsContact CE2-CB 3.45Å; F309-H313 VanDerWaalsContact CE2-O 3.3Å; F309-H313 WeakPolarHBondContact CE2-O 3.39Å; F309-H313 HydrophobicContact CG-CB 4.3Å; F309-H313 HydrophobicContact CZ-CB 4.11Å; F309-V314 HydrophobicContact CE1-CG2 3.89Å; F309-V314 HydrophobicContact CZ-CG2 3.84Å; F309-V336 HydrophobicContact CD2-CG1 4.23Å; F309-V336 HydrophobicContact CE2-CB 4.23Å; F309-V336 HydrophobicContact CE2-CG1 3.38Å; F309-V336 HydrophobicContact CZ-CB 4.45Å; F309-V336 HydrophobicContact CZ-CG1 3.69Å; F309-L338 HydrophobicContact CD1-CD1 3.86Å; F309-L338 HydrophobicContact CE1-CB 4.24Å; F309-L338 HydrophobicContact CE1-CD1 3.88Å | ||
| 310 | D | 85.1 | Confident | 86.6 | Confident | 33 Ų | 33 | 38.7 Ų | 38.7 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | trans | -143.9 | 174.1 | -178.5 | -160.3 | 2.6 | 0 | 0 | 0 | 110.5 | R250 N308 H312 H313 | R250-D310 IonicContact CZ-OD1 3.8Å; R250-D310 VanDerWaalsContact CZ-OD1 3.23Å; R250-D310 IonicContact CZ-OD2 3.36Å; R250-D310 VanDerWaalsContact NE-CG 3.35Å; R250-D310 IonicContact NE-OD1 2.79Å; R250-D310 PolarHBondContact NE-OD1 2.9Å; R250-D310 IonicContact NE-OD2 2.72Å; R250-D310 VanDerWaalsContact NH2-CG 3.31Å; R250-D310 IonicContact NH2-OD1 3.37Å; R250-D310 PolarHBondContact NH2-OD1 2.77Å; R250-D310 IonicContact NH2-OD2 3.44Å; R250-D310 PolarHBondContact NH2-OD2 3.05Å; N308-D310 PolarHBondContact O-N 2.87Å; D310-H312 PolarHBondContact O-N 2.97Å; D310-H313 WeakPolarHBondContact O-CA 3.34Å; D310-H313 WeakPolarHBondContact O-CB 3.43Å; D310-H313 PolarHBondContact O-N 3.43Å | ||
| 311 | I | 78.7 | Confident | 86.8 | Confident | 103 Ų | 103 | 32.5 Ų | 32.5 | 53% | 0.528 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -52.4 | -29.5 | -177.9 | -167.1 | 167.8 | 0 | 0 | 0 | 114 | H313 V314 | I311-H313 VanDerWaalsContact C-N 3.28Å; I311-H313 PolarHBondContact O-N 2.84Å; I311-V314 WeakPolarHBondContact O-CB 3.34Å; I311-V314 PolarHBondContact O-N 2.65Å |
| 312 | H | 81.5 | Confident | 86.6 | Confident | 144 Ų | 144 | 29.7 Ų | 29.7 | 67% | 0.667 | 16% | 0.155 | S | C | * | . | G | 310 helix | trans | -74.4 | -15.5 | 176.5 | -55.1 | 102 | 0 | 0 | 0 | 113.9 | D310 | D310-H312 PolarHBondContact O-N 2.97Š|
| 313 | H | 88.6 | Confident | 86.2 | Confident | 10 Ų | 10 | 31.4 Ų | 31.4 | 5% | 0.046 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -95.4 | -2.5 | 176.7 | -55.9 | 153.1 | 0 | 0 | 0 | 112.2 | R293 I306 F309 D310 I311 S315 Y317 | R293-H313 PolarHBondContact O-NE2 3.17Å; I306-H313 HydrophobicContact CG2-CB 4.06Å; F309-H313 HydrophobicContact CD2-CB 3.58Å; F309-H313 HydrophobicContact CE2-CB 3.45Å; F309-H313 VanDerWaalsContact CE2-CB 3.45Å; F309-H313 VanDerWaalsContact CE2-O 3.3Å; F309-H313 WeakPolarHBondContact CE2-O 3.39Å; F309-H313 HydrophobicContact CG-CB 4.3Å; F309-H313 HydrophobicContact CZ-CB 4.11Å; D310-H313 WeakPolarHBondContact O-CA 3.34Å; D310-H313 WeakPolarHBondContact O-CB 3.43Å; D310-H313 PolarHBondContact O-N 3.43Å; I311-H313 VanDerWaalsContact C-N 3.28Å; I311-H313 PolarHBondContact O-N 2.84Å; H313-S315 PolarHBondContact O-N 3.43Å; H313-Y317 WeakPolarHBondContact O-CE2 3.29Å; H313-Y317 PolarHBondContact O-OH 3.04Å |
| 314 | V | 84.5 | Confident | 85.5 | Confident | 56 Ų | 56 | 33.5 Ų | 33.5 | 34% | 0.339 | 18% | 0.176 | S | C | . | . | trans | -70.6 | 110.2 | 172.8 | 176.1 | 0 | 0 | 0 | 0 | 109.3 | F309 I311 V336 L338 | F309-V314 HydrophobicContact CE1-CG2 3.89Å; F309-V314 HydrophobicContact CZ-CG2 3.84Å; I311-V314 WeakPolarHBondContact O-CB 3.34Å; I311-V314 PolarHBondContact O-N 2.65Å; V314-V336 WeakPolarHBondContact CA-O 3.47Å; V314-L338 HydrophobicContact CG2-CB 3.78Å | ||
| 315 | S | 82 | Confident | 84.5 | Confident | 12 Ų | 12 | 37.9 Ų | 37.9 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | 174.2 | -172 | -140.6 | 0 | 0 | 0 | 0 | 113.8 | L278 M279 H313 V336 | L278-S315 VanDerWaalsContact CD1-CB 3.45Å; L278-S315 WeakPolarHBondContact CD1-OG 3.31Å; M279-S315 PolarHBondContact O-OG 3.41Å; H313-S315 PolarHBondContact O-N 3.43Å; S315-V336 PolarHBondContact N-O 3.38Å; S315-V336 VanDerWaalsContact N-O 3.11Å; S315-V336 PolarHBondContact O-N 3.44Å |
| 316 | F | 80.4 | Confident | 83.3 | Confident | 27 Ų | 27 | 39.1 Ų | 39.1 | 12% | 0.118 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 123.8 | 164.5 | -62 | -83.5 | 0 | 0 | 0 | 109 | M279 L282 L333 F334 Q335 | M279-F316 HydrophobicContact CB-CB 4.17Å; M279-F316 PolarHBondContact N-O 2.83Å; M279-F316 PolarHBondContact O-N 3.22Å; L282-F316 HydrophobicContact CB-CD2 4.07Å; L282-F316 HydrophobicContact CB-CE2 4.17Å; L282-F316 HydrophobicContact CB-CG 4.32Å; L282-F316 HydrophobicContact CB-CZ 4.49Å; L282-F316 HydrophobicContact CD1-CB 4.22Å; L282-F316 HydrophobicContact CD1-CD1 4Å; L282-F316 HydrophobicContact CD1-CG 3.97Å; F316-L333 HydrophobicContact CB-CD1 4.06Å; F316-F334 CarbonylContact C-O 3.56Å; F316-F334 VanDerWaalsContact CA-O 3.3Å; F316-F334 WeakPolarHBondContact CA-O 3Å; F316-Q335 HydrophobicContact CD1-CB 4.09Å; F316-Q335 HydrophobicContact CD1-CG 4.33Å; F316-Q335 HydrophobicContact CE1-CB 3.93Å; F316-Q335 HydrophobicContact CE1-CG 3.75Å; F316-Q335 HydrophobicContact CZ-CG 4.38Å |
| 317 | Y | 87.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 143.3 | 178.1 | -66.1 | -99.9 | 0 | 0 | 0 | 109.2 | L256 G277 L278 V289 L292 I295 L304 I306 H313 L333 F334 V336 | L256-Y317 HydrophobicContact CD1-CD1 4.45Å; L256-Y317 HydrophobicContact CD1-CD2 4.21Å; L256-Y317 HydrophobicContact CD1-CG 3.91Å; G277-Y317 CarbonylContact O-C 3.54Å; G277-Y317 WeakPolarHBondContact O-CA 3.13Å; L278-Y317 HydrophobicContact CD1-CD1 3.94Å; L278-Y317 HydrophobicContact CD1-CE1 3.57Å; L278-Y317 HydrophobicContact CD1-CE2 4.25Å; L278-Y317 HydrophobicContact CD1-CG 4.44Å; V289-Y317 HydrophobicContact CG1-CD1 3.97Å; V289-Y317 HydrophobicContact CG1-CE1 4.35Å; L292-Y317 HydrophobicContact CD1-CE1 3.82Å; L292-Y317 VanDerWaalsContact CD1-OH 3.29Å; L292-Y317 WeakPolarHBondContact CD1-OH 3.18Å; I295-Y317 HydrophobicContact CD1-CE1 4.4Å; L304-Y317 HydrophobicContact CD2-CD1 3.49Å; L304-Y317 VanDerWaalsContact CD2-CD1 3.49Å; L304-Y317 HydrophobicContact CD2-CE1 3.88Å; L304-Y317 HydrophobicContact CD2-CG 4.37Å; I306-Y317 HydrophobicContact CD1-CD1 4.44Å; I306-Y317 HydrophobicContact CD1-CE1 3.71Å; I306-Y317 HydrophobicContact CD1-CE2 3.98Å; I306-Y317 VanDerWaalsContact CD1-CZ 3.45Å; I306-Y317 WeakPolarHBondContact CD1-OH 3.28Å; H313-Y317 WeakPolarHBondContact O-CE2 3.29Å; H313-Y317 PolarHBondContact O-OH 3.04Å; Y317-L333 CarbonylContact O-C 3.56Å; Y317-L333 WeakPolarHBondContact O-CA 3.29Å; Y317-F334 PolarHBondContact N-O 2.88Å; Y317-F334 PolarHBondContact O-N 3.02Å; Y317-V336 HydrophobicContact CD2-CB 4.21Å; Y317-V336 HydrophobicContact CD2-CG2 3.68Å; Y317-V336 HydrophobicContact CE2-CB 4.01Å; Y317-V336 HydrophobicContact CE2-CG2 3.91Å |
| 318 | T | 84 | Confident | 80.4 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 143.2 | 173.1 | 32.5 | 0 | 0 | 0 | 0 | 109.2 | W276 G277 M279 Q286 F332 L333 | W276-T318 CarbonylContact C-O 3.48Å; W276-T318 VanDerWaalsContact CA-O 3.29Å; W276-T318 WeakPolarHBondContact CA-O 3.29Å; W276-T318 VanDerWaalsContact CE3-O 3.3Å; G277-T318 VanDerWaalsContact C-OG1 3.29Å; G277-T318 VanDerWaalsContact CA-OG1 3.3Å; G277-T318 WeakPolarHBondContact CA-OG1 3.48Å; G277-T318 PolarHBondContact N-O 2.92Å; G277-T318 PolarHBondContact O-N 3.42Å; G277-T318 PolarHBondContact O-OG1 2.91Å; M279-T318 HydrophobicContact CE-CG2 3.71Å; Q286-T318 PolarHBondContact NE2-OG1 2.96Å; T318-F332 VanDerWaalsContact CA-O 3.22Å; T318-F332 WeakPolarHBondContact CA-O 3.39Å; T318-L333 HydrophobicContact CG2-CD1 3.92Å |
| 319 | C | 87.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 136 | 159 | 78 | 0 | 0 | 0 | 0 | 108.7 | C258 T274 V275 W276 I331 F332 F334 | C258-C319 WeakPolarHBondContact CA-SG 3.48Å; C258-C319 HydrophobicContact CB-CB 3.77Å; C258-C319 WeakPolarHBondContact CB-SG 3.38Å; C258-C319 WeakPolarHBondContact SG-CB 3.33Å; C258-C319 CovalentContact SG-SG 2.03Å; C258-C319 PolarHBondContact SG-SG 2.62Å; T274-C319 HydrophobicContact CG2-CB 4.31Å; V275-C319 WeakPolarHBondContact O-CA 3.49Å; W276-C319 HydrophobicContact CD2-CB 3.63Å; W276-C319 HydrophobicContact CE3-CB 3.63Å; W276-C319 HydrophobicContact CG-CB 4.38Å; W276-C319 HydrophobicContact CH2-CB 3.72Å; W276-C319 HydrophobicContact CZ2-CB 3.73Å; W276-C319 HydrophobicContact CZ3-CB 3.68Å; C319-I331 CarbonylContact O-C 3.5Å; C319-I331 WeakPolarHBondContact O-CA 3.22Å; C319-F332 PolarHBondContact N-O 3.2Å; C319-F332 PolarHBondContact O-N 2.88Å; C319-F334 HydrophobicContact CB-CE2 4.37Å |
| 320 | E | 85.2 | Confident | 78.5 | Confident | 29 Ų | 29 | 46.2 Ų | 46.2 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.4 | 174.8 | 169.5 | -179.6 | 147.2 | 0 | 0 | 107.2 | T274 V275 R329 Y330 I331 | T274-E320 CarbonylContact C-O 3.59Å; T274-E320 VanDerWaalsContact CA-O 3.26Å; T274-E320 WeakPolarHBondContact CA-O 3.4Å; V275-E320 HydrophobicContact CB-CB 4.31Å; V275-E320 PolarHBondContact N-O 3.32Å; V275-E320 PolarHBondContact O-N 2.81Å; E320-R329 VanDerWaalsContact CD-CZ 3.5Å; E320-R329 HydrophobicContact CG-CG 4.09Å; E320-R329 IonicContact OE1-CZ 3.88Å; E320-R329 IonicContact OE1-NE 2.76Å; E320-R329 PolarHBondContact OE1-NE 3.25Å; E320-R329 IonicContact OE1-NH2 3.39Å; E320-R329 PolarHBondContact OE1-NH2 2.86Å; E320-R329 IonicContact OE2-CZ 3.82Å; E320-R329 IonicContact OE2-NE 3.48Å; E320-R329 PolarHBondContact OE2-NE 2.86Å; E320-R329 IonicContact OE2-NH2 2.91Å; E320-R329 PolarHBondContact OE2-NH2 2.79Å; E320-Y330 CarbonylContact C-O 3.37Å; E320-Y330 VanDerWaalsContact CA-O 3.32Å; E320-Y330 WeakPolarHBondContact CA-O 3.31Å; E320-I331 HydrophobicContact CB-CG1 4.14Å; E320-I331 HydrophobicContact CG-CG1 4.1Å |
| 321 | I | 85.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 136.7 | -179.9 | -168.1 | 172.9 | 0 | 0 | 0 | 110.7 | Q260 P272 I273 W323 R329 Y330 F332 | Q260-I321 HydrophobicContact CG-CD1 3.81Å; P272-I321 HydrophobicContact CB-CD1 3.82Å; P272-I321 HydrophobicContact CB-CG1 3.76Å; P272-I321 HydrophobicContact CG-CD1 4.18Å; I273-I321 WeakPolarHBondContact O-CA 3.13Å; I321-W323 HydrophobicContact CD1-CZ2 4.45Å; I321-W323 HydrophobicContact CG1-CH2 4.44Å; I321-R329 WeakPolarHBondContact O-CA 3.25Å; I321-Y330 HydrophobicContact CG2-CD2 4.11Å; I321-Y330 PolarHBondContact N-O 2.91Å; I321-Y330 PolarHBondContact O-N 2.79Å; I321-F332 HydrophobicContact CG2-CE2 3.92Å |
| 322 | S | 81.4 | Confident | 77.8 | Confident | 25 Ų | 25 | 40.5 Ų | 40.5 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 169.2 | -179.4 | 59.2 | 0 | 0 | 0 | 0 | 110.5 | P272 I273 D328 | P272-S322 CarbonylContact C-O 3.48Å; P272-S322 VanDerWaalsContact CA-O 3.3Å; P272-S322 WeakPolarHBondContact CA-O 3.4Å; I273-S322 PolarHBondContact N-O 3.36Å; I273-S322 PolarHBondContact O-N 3.04Å; S322-D328 WeakPolarHBondContact CA-O 3.29Å; S322-D328 WeakPolarHBondContact CB-O 3.34Å |
| 323 | W | 81.1 | Confident | 77.3 | Confident | 44 Ų | 44 | 33.9 Ų | 33.9 | 17% | 0.167 | 20% | 0.204 | C | C | . | . | trans | -121.1 | 133.9 | 178.2 | -67.9 | -100.4 | 0 | 0 | 0 | 110.8 | V263 I270 P272 I321 G325 S326 D328 Y330 | V263-W323 HydrophobicContact CG2-CZ2 3.77Å; I270-W323 HydrophobicContact CG2-CB 4.25Å; P272-W323 HydrophobicContact CB-CZ2 4.46Å; I321-W323 HydrophobicContact CD1-CZ2 4.45Å; I321-W323 HydrophobicContact CG1-CH2 4.44Å; W323-G325 PolarHBondContact O-N 2.92Å; W323-G325 VanDerWaalsContact O-N 3.12Å; W323-S326 PolarHBondContact O-N 2.76Å; W323-D328 HydrophobicContact CE3-CB 4.49Å; W323-Y330 AromaticContact CH2-CD2 3.88Å; W323-Y330 HydrophobicContact CH2-CD2 3.88Å; W323-Y330 AromaticContact CH2-CE2 3.67Å; W323-Y330 HydrophobicContact CH2-CE2 3.67Å; W323-Y330 AromaticContact CZ3-CD2 3.69Å; W323-Y330 HydrophobicContact CZ3-CD2 3.69Å; W323-Y330 AromaticContact CZ3-CE2 3.45Å; W323-Y330 HydrophobicContact CZ3-CE2 3.45Å; W323-Y330 VanDerWaalsContact CZ3-CE2 3.45Å | ||
| 324 | P | 76.5 | Confident | 77 | Confident | 65 Ų | 65 | 33.4 Ų | 33.4 | 42% | 0.422 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | 118.2 | 172.4 | -28.5 | 33 | 0 | 0 | 0 | 112.5 | I270 T271 I273 | I270-P324 HydrophobicContact CG2-CB 4.32Å; I270-P324 HydrophobicContact CG2-CG 4.2Å; T271-P324 WeakPolarHBondContact O-CD 3.49Å; I273-P324 HydrophobicContact CD1-CG 3.9Å; I273-P324 HydrophobicContact CG1-CG 4.1Å |
| 325 | G | 70.5 | Confident | 76.8 | Confident | 93 Ų | 93 | 31.7 Ų | 31.7 | 96% | 0.959 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -6.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | W323 | W323-G325 PolarHBondContact O-N 2.92Å; W323-G325 VanDerWaalsContact O-N 3.12Å |
| 326 | S | 68.6 | Low | 77 | Confident | 49 Ų | 49 | 31.1 Ų | 31.1 | 34% | 0.343 | 19% | 0.186 | S | C | . | . | trans | -91.9 | 151.9 | 167.5 | -171.6 | 0 | 0 | 0 | 0 | 111.6 | W323 D328 | W323-S326 PolarHBondContact O-N 2.76Å; S326-D328 WeakPolarHBondContact OG-CB 3.47Å; S326-D328 PolarHBondContact OG-N 3.14Å; S326-D328 PolarHBondContact OG-OD2 3.5Å | ||
| 327 | S | 62.3 | Low | 77 | Confident | 82 Ų | 82 | 32.2 Ų | 32.2 | 57% | 0.573 | 19% | 0.191 | S | C | * | . | trans | -75.3 | -12.4 | 163.8 | 46.9 | 0 | 0 | 0 | 0 | 113.2 | R329 | S327-R329 PolarHBondContact O-N 3.45Š| ||
| 328 | D | 60.9 | Low | 76.6 | Confident | 39 Ų | 39 | 34.5 Ų | 34.5 | 21% | 0.209 | 20% | 0.204 | C | C | . | . | trans | -75.9 | 124.4 | -170.4 | -56.8 | -37.2 | 0 | 0 | 0 | 112.1 | Q226 S322 W323 S326 | Q226-D328 PolarHBondContact NE2-OD1 3.18Å; S322-D328 WeakPolarHBondContact CA-O 3.29Å; S322-D328 WeakPolarHBondContact CB-O 3.34Å; W323-D328 HydrophobicContact CE3-CB 4.49Å; S326-D328 WeakPolarHBondContact OG-CB 3.47Å; S326-D328 PolarHBondContact OG-N 3.14Å; S326-D328 PolarHBondContact OG-OD2 3.5Å | ||
| 329 | R | 66.6 | Low | 76.2 | Confident | 148 Ų | 148 | 35 Ų | 35 | 56% | 0.558 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 118.3 | -178 | -175.8 | -174.4 | -170.7 | -167.1 | 2 | 109.1 | E320 I321 S327 | E320-R329 VanDerWaalsContact CD-CZ 3.5Å; E320-R329 HydrophobicContact CG-CG 4.09Å; E320-R329 IonicContact OE1-CZ 3.88Å; E320-R329 IonicContact OE1-NE 2.76Å; E320-R329 PolarHBondContact OE1-NE 3.25Å; E320-R329 IonicContact OE1-NH2 3.39Å; E320-R329 PolarHBondContact OE1-NH2 2.86Å; E320-R329 IonicContact OE2-CZ 3.82Å; E320-R329 IonicContact OE2-NE 3.48Å; E320-R329 PolarHBondContact OE2-NE 2.86Å; E320-R329 IonicContact OE2-NH2 2.91Å; E320-R329 PolarHBondContact OE2-NH2 2.79Å; I321-R329 WeakPolarHBondContact O-CA 3.25Å; S327-R329 PolarHBondContact O-N 3.45Å |
| 330 | Y | 71.1 | Confident | 75.3 | Confident | 11 Ų | 11 | 36.9 Ų | 36.9 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.9 | 178 | -49.6 | -60.7 | 0 | 0 | 0 | 110.2 | L224 Q226 I236 P261 E320 I321 W323 | L224-Y330 HydrophobicContact CD1-CD1 4.09Å; L224-Y330 HydrophobicContact CD2-CD1 3.64Å; L224-Y330 HydrophobicContact CD2-CE1 4.28Å; L224-Y330 HydrophobicContact CD2-CG 4.05Å; L224-Y330 HydrophobicContact CG-CD1 4.09Å; Q226-Y330 HydrophobicContact CG-CE1 4.37Å; Q226-Y330 PolarHBondContact NE2-OH 3.01Å; Q226-Y330 PolarHBondContact OE1-OH 3.15Å; I236-Y330 HydrophobicContact CD1-CD1 4.41Å; I236-Y330 HydrophobicContact CD1-CE1 3.65Å; P261-Y330 HydrophobicContact CB-CD2 4.09Å; P261-Y330 HydrophobicContact CB-CE1 4.49Å; P261-Y330 HydrophobicContact CB-CE2 3.71Å; P261-Y330 HydrophobicContact CG-CD1 4.45Å; P261-Y330 HydrophobicContact CG-CD2 3.62Å; P261-Y330 HydrophobicContact CG-CE2 3.8Å; P261-Y330 HydrophobicContact CG-CG 3.95Å; E320-Y330 CarbonylContact C-O 3.37Å; E320-Y330 VanDerWaalsContact CA-O 3.32Å; E320-Y330 WeakPolarHBondContact CA-O 3.31Å; I321-Y330 HydrophobicContact CG2-CD2 4.11Å; I321-Y330 PolarHBondContact N-O 2.91Å; I321-Y330 PolarHBondContact O-N 2.79Å; W323-Y330 AromaticContact CH2-CD2 3.88Å; W323-Y330 HydrophobicContact CH2-CD2 3.88Å; W323-Y330 AromaticContact CH2-CE2 3.67Å; W323-Y330 HydrophobicContact CH2-CE2 3.67Å; W323-Y330 AromaticContact CZ3-CD2 3.69Å; W323-Y330 HydrophobicContact CZ3-CD2 3.69Å; W323-Y330 AromaticContact CZ3-CE2 3.45Å; W323-Y330 HydrophobicContact CZ3-CE2 3.45Å; W323-Y330 VanDerWaalsContact CZ3-CE2 3.45Å |
| 331 | I | 70.7 | Confident | 74.6 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 8% | 0.077 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 129.6 | -179.9 | -61.4 | 176.5 | 0 | 0 | 0 | 109.4 | N177 S205 C319 E320 | N177-I331 HydrophobicContact CB-CD1 4Å; S205-I331 WeakPolarHBondContact CB-O 3.17Å; S205-I331 PolarHBondContact OG-O 2.77Å; C319-I331 CarbonylContact O-C 3.5Å; C319-I331 WeakPolarHBondContact O-CA 3.22Å; E320-I331 HydrophobicContact CB-CG1 4.14Å; E320-I331 HydrophobicContact CG-CG1 4.1Å |
| 332 | F | 77.7 | Confident | 73.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 150.5 | 179.6 | -56.3 | -71.3 | 0 | 0 | 0 | 110.9 | L224 L239 F244 P259 P261 T318 C319 I321 F334 | L224-F332 HydrophobicContact CD2-CE1 3.86Å; L224-F332 HydrophobicContact CD2-CZ 3.85Å; L239-F332 HydrophobicContact CD1-CD1 4.11Å; L239-F332 HydrophobicContact CD1-CE1 3.26Å; L239-F332 HydrophobicContact CD1-CZ 3.82Å; F244-F332 HydrophobicContact CE1-CB 4.2Å; F244-F332 HydrophobicContact CE1-CD1 4.15Å; F244-F332 HydrophobicContact CE1-CG 4.48Å; F244-F332 HydrophobicContact CZ-CD1 4.37Å; P259-F332 HydrophobicContact CB-CD2 4.28Å; P259-F332 HydrophobicContact CB-CE1 4.22Å; P259-F332 HydrophobicContact CB-CE2 3.93Å; P259-F332 HydrophobicContact CB-CZ 3.91Å; P259-F332 HydrophobicContact CG-CD1 4.01Å; P259-F332 HydrophobicContact CG-CD2 4.03Å; P259-F332 HydrophobicContact CG-CE1 4.21Å; P259-F332 HydrophobicContact CG-CE2 4.18Å; P259-F332 HydrophobicContact CG-CG 3.92Å; P259-F332 HydrophobicContact CG-CZ 4.27Å; P259-F332 WeakPolarHBondContact O-CE2 3.49Å; P261-F332 HydrophobicContact CG-CE2 4.45Å; P261-F332 HydrophobicContact CG-CZ 3.7Å; T318-F332 VanDerWaalsContact CA-O 3.22Å; T318-F332 WeakPolarHBondContact CA-O 3.39Å; C319-F332 PolarHBondContact N-O 3.2Å; C319-F332 PolarHBondContact O-N 2.88Å; I321-F332 HydrophobicContact CG2-CE2 3.92Å; F332-F334 HydrophobicContact CB-CE2 4.21Å |
| 333 | L | 71.3 | Confident | 73.6 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.1 | -178 | 179.6 | 75.9 | 0 | 0 | 0 | 110.3 | H207 R220 M279 L282 F316 Y317 T318 | H207-L333 WeakPolarHBondContact CE1-CD2 3.3Å; H207-L333 VanDerWaalsContact NE2-CD2 3.26Å; H207-L333 WeakPolarHBondContact NE2-CD2 3.28Å; R220-L333 PolarHBondContact NH1-O 3.42Å; R220-L333 PolarHBondContact NH2-O 2.89Å; M279-L333 HydrophobicContact CE-CD1 3.47Å; M279-L333 VanDerWaalsContact CE-CD1 3.47Å; L282-L333 HydrophobicContact CD1-CD1 3.8Å; L282-L333 HydrophobicContact CD1-CD2 3.56Å; L282-L333 HydrophobicContact CD1-CG 4.33Å; F316-L333 HydrophobicContact CB-CD1 4.06Å; Y317-L333 CarbonylContact O-C 3.56Å; Y317-L333 WeakPolarHBondContact O-CA 3.29Å; T318-L333 HydrophobicContact CG2-CD1 3.92Å |
| 334 | F | 82.1 | Confident | 73.4 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 149.6 | 171.6 | -54.6 | -93.9 | 0 | 0 | 0 | 111 | F244 L256 E257 W276 F316 Y317 C319 F332 | F244-F334 HydrophobicContact CD1-CD1 4.15Å; F244-F334 AromaticContact CD1-CE1 3.91Å; F244-F334 HydrophobicContact CD1-CE1 3.91Å; F244-F334 HydrophobicContact CD1-CZ 4.33Å; F244-F334 HydrophobicContact CE1-CE1 4.4Å; F244-F334 HydrophobicContact CE1-CZ 4.48Å; F244-F334 CarbonylContact O-C 3.58Å; F244-F334 WeakPolarHBondContact O-CA 3.16Å; L256-F334 HydrophobicContact CB-CD1 4.5Å; L256-F334 HydrophobicContact CD1-CB 4.01Å; L256-F334 HydrophobicContact CD1-CD2 4.4Å; L256-F334 HydrophobicContact CD1-CG 4.14Å; L256-F334 HydrophobicContact CD2-CB 4.4Å; L256-F334 HydrophobicContact CD2-CD1 4.22Å; L256-F334 HydrophobicContact CD2-CG 4.4Å; E257-F334 VanDerWaalsContact O-CZ 3.24Å; E257-F334 WeakPolarHBondContact O-CZ 3.22Å; W276-F334 HydrophobicContact CH2-CD2 4.29Å; W276-F334 AromaticContact CH2-CE2 3.77Å; W276-F334 HydrophobicContact CH2-CE2 3.77Å; W276-F334 HydrophobicContact CH2-CZ 4.26Å; W276-F334 AromaticContact CZ3-CD2 3.83Å; W276-F334 HydrophobicContact CZ3-CD2 3.83Å; W276-F334 AromaticContact CZ3-CE2 3.73Å; W276-F334 HydrophobicContact CZ3-CE2 3.73Å; F316-F334 CarbonylContact C-O 3.56Å; F316-F334 VanDerWaalsContact CA-O 3.3Å; F316-F334 WeakPolarHBondContact CA-O 3Å; Y317-F334 PolarHBondContact N-O 2.88Å; Y317-F334 PolarHBondContact O-N 3.02Å; C319-F334 HydrophobicContact CB-CE2 4.37Å; F332-F334 HydrophobicContact CB-CE2 4.21Å |
| 335 | Q | 80.6 | Confident | 73.4 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 9% | 0.093 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 121.1 | 172.5 | 174.1 | -175.7 | 11.5 | 0 | 0 | 107.3 | F244 S245 K246 F316 E337 | F244-Q335 PolarHBondContact O-N 3.38Å; S245-Q335 CarbonylContact C-O 3.56Å; S245-Q335 VanDerWaalsContact CA-O 3.28Å; S245-Q335 WeakPolarHBondContact CA-O 3.12Å; S245-Q335 PolarHBondContact OG-OE1 2.84Å; K246-Q335 PolarHBondContact N-O 2.83Å; F316-Q335 HydrophobicContact CD1-CB 4.09Å; F316-Q335 HydrophobicContact CD1-CG 4.33Å; F316-Q335 HydrophobicContact CE1-CB 3.93Å; F316-Q335 HydrophobicContact CE1-CG 3.75Å; F316-Q335 HydrophobicContact CZ-CG 4.38Å; Q335-E337 HydrophobicContact CG-CG 4.2Å; Q335-E337 PolarHBondContact NE2-OE1 3.31Å |
| 336 | V | 85.4 | Confident | 73.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.2 | -179.1 | -165.8 | 0 | 0 | 0 | 0 | 109.6 | K246 V248 V254 L256 F309 V314 S315 Y317 | K246-V336 WeakPolarHBondContact O-CA 3.29Å; V248-V336 HydrophobicContact CG2-CG1 3.66Å; V254-V336 HydrophobicContact CG1-CG1 4.27Å; L256-V336 HydrophobicContact CD1-CG2 3.94Å; L256-V336 HydrophobicContact CD2-CG2 3.89Å; L256-V336 HydrophobicContact CG-CG2 4.47Å; F309-V336 HydrophobicContact CD2-CG1 4.23Å; F309-V336 HydrophobicContact CE2-CB 4.23Å; F309-V336 HydrophobicContact CE2-CG1 3.38Å; F309-V336 HydrophobicContact CZ-CB 4.45Å; F309-V336 HydrophobicContact CZ-CG1 3.69Å; V314-V336 WeakPolarHBondContact CA-O 3.47Å; S315-V336 PolarHBondContact N-O 3.38Å; S315-V336 VanDerWaalsContact N-O 3.11Å; S315-V336 PolarHBondContact O-N 3.44Å; Y317-V336 HydrophobicContact CD2-CB 4.21Å; Y317-V336 HydrophobicContact CD2-CG2 3.68Å; Y317-V336 HydrophobicContact CE2-CB 4.01Å; Y317-V336 HydrophobicContact CE2-CG2 3.91Å |
| 337 | E | 81.3 | Confident | 73.9 | Confident | 49 Ų | 49 | 40.9 Ų | 40.9 | 23% | 0.229 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 153.8 | -172 | -65.1 | -168.8 | 179.2 | 0 | 0 | 112.6 | K246 F247 V248 Q335 N388 | K246-E337 PolarHBondContact O-N 3.16Å; F247-E337 CarbonylContact C-O 3.59Å; F247-E337 WeakPolarHBondContact CA-O 3.37Å; F247-E337 HydrophobicContact CD1-CB 4Å; F247-E337 HydrophobicContact CE1-CB 4.24Å; V248-E337 PolarHBondContact N-O 3.01Å; Q335-E337 HydrophobicContact CG-CG 4.2Å; Q335-E337 PolarHBondContact NE2-OE1 3.31Å; E337-N388 PolarHBondContact OE2-ND2 3.09Å |
| 338 | L | 78.6 | Confident | 74.4 | Confident | 49 Ų | 49 | 37.3 Ų | 37.3 | 26% | 0.257 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 123.7 | 178.2 | -168.9 | 71.7 | 0 | 0 | 0 | 110.1 | V248 R250 F309 V314 | V248-L338 WeakPolarHBondContact O-CA 3.41Å; R250-L338 HydrophobicContact CB-CD1 4.06Å; R250-L338 HydrophobicContact CG-CD1 4.48Å; F309-L338 HydrophobicContact CD1-CD1 3.86Å; F309-L338 HydrophobicContact CE1-CB 4.24Å; F309-L338 HydrophobicContact CE1-CD1 3.88Å; V314-L338 HydrophobicContact CG2-CB 3.78Å |
| 339 | A | 75.6 | Confident | 75.3 | Confident | 11 Ų | 11 | 35.5 Ų | 35.5 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | trans | -74.3 | 128 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | F247 V248 M249 N388 T456 A457 | F247-A339 HydrophobicContact CB-CB 4.36Å; V248-A339 PolarHBondContact O-N 2.83Å; M249-A339 HydrophobicContact CG-CB 4.23Å; A339-N388 CarbonylContact C-O 3.6Å; A339-N388 VanDerWaalsContact CA-O 3.28Å; A339-N388 WeakPolarHBondContact CA-O 3.45Å; A339-T456 WeakPolarHBondContact CB-OG1 3.5Å; A339-A457 HydrophobicContact CB-CB 3.95Å | ||
| 340 | A | 68.3 | Low | 75.7 | Confident | 39 Ų | 39 | 28.9 Ų | 28.9 | 32% | 0.322 | 14% | 0.144 | S | C | . | . | B | Isolated β-bridge | trans | -135.7 | 151.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S387 N388 N455 | A340-S387 CarbonylContact O-C 3.58Å; A340-S387 WeakPolarHBondContact O-CA 3.17Å; A340-N388 PolarHBondContact N-O 2.8Å; A340-N388 PolarHBondContact O-N 3.25Å; A340-N388 VanDerWaalsContact O-O 3.12Å; A340-N455 PolarHBondContact O-ND2 3.47Å |
| 341 | L | 69.9 | Low | 75.7 | Confident | 23 Ų | 23 | 29.1 Ų | 29.1 | 12% | 0.12 | 15% | 0.147 | C | C | . | . | trans | -135.3 | 125.9 | 176.8 | -180 | 61 | 0 | 0 | 0 | 110.6 | P391 L453 A457 A460 | L341-P391 HydrophobicContact CD1-CB 3.8Å; L341-P391 HydrophobicContact CD1-CG 4.23Å; L341-L453 HydrophobicContact CD1-CB 4.36Å; L341-A457 HydrophobicContact CB-CB 4.08Å; L341-A460 HydrophobicContact CD2-CB 4.01Å; L341-A460 HydrophobicContact CG-CB 4.41Å | ||
| 342 | Y | 70.8 | Confident | 75.6 | Confident | 13 Ų | 13 | 33.7 Ų | 33.7 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | trans | -74.9 | 132.7 | 173.5 | -179.4 | -98.7 | 0 | 0 | 0 | 111 | K345 D348 D374 Q385 S387 | Y342-K345 WeakPolarHBondContact OH-CD 3.25Å; Y342-K345 WeakPolarHBondContact OH-CE 3.41Å; Y342-K345 PolarHBondContact OH-NZ 2.88Å; Y342-D348 WeakPolarHBondContact CE1-OD2 3.33Å; Y342-D348 PolarHBondContact OH-OD2 2.83Å; Y342-D374 WeakPolarHBondContact CE2-OD2 3.39Å; Y342-D374 PolarHBondContact OH-OD2 3.21Å; Y342-Q385 HydrophobicContact CD2-CB 4.46Å; Y342-Q385 WeakPolarHBondContact CD2-O 3.35Å; Y342-S387 VanDerWaalsContact CB-OG 3.25Å; Y342-S387 WeakPolarHBondContact CB-OG 3.31Å; Y342-S387 PolarHBondContact N-OG 2.83Å | ||
| 343 | Y | 74.9 | Confident | 75.3 | Confident | 159 Ų | 159 | 34.4 Ų | 34.4 | 62% | 0.624 | 17% | 0.167 | S | C | * | . | trans | -92.7 | 116 | 175.1 | -73.2 | -91.7 | 0 | 0 | 0 | 109.7 | A460 | Y343-A460 HydrophobicContact CD1-CB 3.66Å; Y343-A460 HydrophobicContact CE1-CB 3.9Å; Y343-A460 HydrophobicContact CG-CB 4.36Å | ||
| 344 | P | 77.1 | Confident | 75.1 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 10% | 0.104 | 20% | 0.199 | C | C | . | . | trans | -65.6 | 140.2 | -176.2 | 31 | -40.3 | 0 | 0 | 0 | 111.9 | F349 Y371 M451 L453 I462 | P344-F349 HydrophobicContact CB-CE2 4.29Å; P344-Y371 HydrophobicContact CB-CE2 3.92Å; P344-M451 HydrophobicContact CB-CE 4.33Å; P344-L453 HydrophobicContact CB-CD1 4.25Å; P344-L453 HydrophobicContact CG-CD1 3.55Å; P344-I462 HydrophobicContact CB-CB 4.44Å; P344-I462 HydrophobicContact CB-CD1 4.49Å; P344-I462 HydrophobicContact CB-CG2 3.97Å; P344-I462 HydrophobicContact CG-CB 3.89Å; P344-I462 HydrophobicContact CG-CG2 3.63Å | ||
| 345 | K | 77.9 | Confident | 74.4 | Confident | 79 Ų | 79 | 50.9 Ų | 50.9 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | trans | -115.1 | 154.5 | 178.6 | -46 | 148.3 | -167.6 | 154.4 | 0 | 108.6 | Y342 S347 D348 F349 D374 | Y342-K345 WeakPolarHBondContact OH-CD 3.25Å; Y342-K345 WeakPolarHBondContact OH-CE 3.41Å; Y342-K345 PolarHBondContact OH-NZ 2.88Å; K345-S347 VanDerWaalsContact CB-OG 3.25Å; K345-S347 WeakPolarHBondContact CB-OG 3.18Å; K345-S347 PolarHBondContact O-N 2.92Å; K345-S347 VanDerWaalsContact O-N 3.1Å; K345-D348 WeakPolarHBondContact CB-OD1 3.48Å; K345-D348 WeakPolarHBondContact CB-OD2 3.31Å; K345-D348 PolarHBondContact N-OD2 3.13Å; K345-D348 WeakPolarHBondContact O-CB 3.49Å; K345-D348 VanDerWaalsContact O-CG 3.25Å; K345-D348 PolarHBondContact O-N 3.25Å; K345-F349 WeakPolarHBondContact O-CD2 3.34Å; K345-D374 IonicContact NZ-OD2 3.58Å | ||
| 346 | R | 77.8 | Confident | 73.8 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 19% | 0.189 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -65.9 | -10.6 | 175.7 | -72.1 | -167 | 171.6 | -162.9 | -2.3 | 114.1 | L353 K354 Q357 I462 V463 F464 D465 | R346-L353 WeakPolarHBondContact CB-O 3.27Å; R346-K354 PolarHBondContact NH1-O 3.04Å; R346-Q357 PolarHBondContact NH1-O 3.4Å; R346-I462 HydrophobicContact CG-CD1 3.88Å; R346-V463 PolarHBondContact NH2-O 3.1Å; R346-F464 HydrophobicContact CG-CE1 3.93Å; R346-F464 HydrophobicContact CG-CZ 4.38Å; R346-D465 IonicContact NH2-OD2 2.67Å |
| 347 | S | 71.1 | Confident | 73.1 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 34% | 0.343 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -70.5 | -18.8 | 170.1 | 40.2 | 0 | 0 | 0 | 0 | 113.8 | K345 F349 R352 | K345-S347 VanDerWaalsContact CB-OG 3.25Å; K345-S347 WeakPolarHBondContact CB-OG 3.18Å; K345-S347 PolarHBondContact O-N 2.92Å; K345-S347 VanDerWaalsContact O-N 3.1Å; S347-F349 VanDerWaalsContact C-N 3.3Å; S347-R352 VanDerWaalsContact O-CZ 3.29Å; S347-R352 PolarHBondContact O-NE 3.22Å; S347-R352 PolarHBondContact O-NH2 3.4Å |
| 348 | D | 73.5 | Confident | 73 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.043 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -100.6 | 18 | -165.9 | -40.5 | -9.7 | 0 | 0 | 0 | 110.3 | Y342 K345 Y371 Y372 | Y342-D348 WeakPolarHBondContact CE1-OD2 3.33Å; Y342-D348 PolarHBondContact OH-OD2 2.83Å; K345-D348 WeakPolarHBondContact CB-OD1 3.48Å; K345-D348 WeakPolarHBondContact CB-OD2 3.31Å; K345-D348 PolarHBondContact N-OD2 3.13Å; K345-D348 WeakPolarHBondContact O-CB 3.49Å; K345-D348 VanDerWaalsContact O-CG 3.25Å; K345-D348 PolarHBondContact O-N 3.25Å; D348-Y371 HydrophobicContact CB-CD2 4.4Å; D348-Y371 HydrophobicContact CB-CE2 4.1Å; D348-Y371 WeakPolarHBondContact O-CD2 3.38Å; D348-Y372 CarbonylContact O-C 3.55Å; D348-Y372 PolarHBondContact O-N 2.84Å |
| 349 | F | 79.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 142.3 | -175.9 | -72.4 | -105.3 | 0 | 0 | 0 | 109.3 | P344 K345 S347 P351 R352 L369 R370 Y371 W395 M451 I462 F464 | P344-F349 HydrophobicContact CB-CE2 4.29Å; K345-F349 WeakPolarHBondContact O-CD2 3.34Å; S347-F349 VanDerWaalsContact C-N 3.3Å; F349-P351 CarbonylContact O-C 3.52Å; F349-P351 VanDerWaalsContact O-C 3.23Å; F349-P351 VanDerWaalsContact O-O 3.14Å; F349-R352 WeakPolarHBondContact O-CA 3.35Å; F349-R352 WeakPolarHBondContact O-CG 3.38Å; F349-R352 PolarHBondContact O-N 2.72Å; F349-L369 HydrophobicContact CB-CD1 4.2Å; F349-L369 HydrophobicContact CD1-CD1 4Å; F349-L369 HydrophobicContact CD1-CG 4.05Å; F349-R370 CarbonylContact C-O 3.55Å; F349-R370 VanDerWaalsContact CA-O 3.26Å; F349-R370 WeakPolarHBondContact CA-O 3.43Å; F349-Y371 HydrophobicContact CD1-CD2 4.38Å; F349-Y371 AromaticContact CD2-CD2 3.91Å; F349-Y371 HydrophobicContact CD2-CD2 3.91Å; F349-Y371 AromaticContact CE1-CD2 3.91Å; F349-Y371 HydrophobicContact CE1-CD2 3.91Å; F349-Y371 HydrophobicContact CE1-CG 4.1Å; F349-Y371 AromaticContact CE2-CD2 3.36Å; F349-Y371 HydrophobicContact CE2-CD2 3.36Å; F349-Y371 AromaticContact CE2-CE2 3.85Å; F349-Y371 HydrophobicContact CE2-CE2 3.85Å; F349-Y371 HydrophobicContact CE2-CG 4.32Å; F349-Y371 HydrophobicContact CG-CD2 4.39Å; F349-Y371 AromaticContact CZ-CD2 3.36Å; F349-Y371 HydrophobicContact CZ-CD2 3.36Å; F349-Y371 HydrophobicContact CZ-CE2 4.09Å; F349-Y371 AromaticContact CZ-CG 3.9Å; F349-Y371 HydrophobicContact CZ-CG 3.9Å; F349-W395 HydrophobicContact CE1-CH2 4.01Å; F349-W395 HydrophobicContact CE1-CZ2 4.06Å; F349-M451 HydrophobicContact CE1-CE 4.42Å; F349-M451 HydrophobicContact CE1-SD 4Å; F349-M451 HydrophobicContact CZ-CE 3.7Å; F349-M451 HydrophobicContact CZ-SD 3.86Å; F349-I462 HydrophobicContact CE2-CD1 3.94Å; F349-I462 HydrophobicContact CE2-CG2 4.17Å; F349-I462 HydrophobicContact CZ-CG2 3.79Å; F349-F464 HydrophobicContact CB-CZ 4.39Å; F349-F464 HydrophobicContact CD1-CE1 4.32Å; F349-F464 AromaticContact CD1-CE2 3.9Å; F349-F464 HydrophobicContact CD1-CE2 3.9Å; F349-F464 AromaticContact CD1-CZ 3.54Å; F349-F464 HydrophobicContact CD1-CZ 3.54Å; F349-F464 HydrophobicContact CD2-CE1 4.44Å; F349-F464 HydrophobicContact CD2-CE2 4.45Å; F349-F464 AromaticContact CD2-CZ 3.62Å; F349-F464 HydrophobicContact CD2-CZ 3.62Å; F349-F464 AromaticContact CE1-CE2 3.46Å; F349-F464 HydrophobicContact CE1-CE2 3.46Å; F349-F464 VanDerWaalsContact CE1-CE2 3.46Å; F349-F464 AromaticContact CE1-CZ 3.53Å; F349-F464 HydrophobicContact CE1-CZ 3.53Å; F349-F464 HydrophobicContact CE2-CE2 4.08Å; F349-F464 AromaticContact CE2-CZ 3.63Å; F349-F464 HydrophobicContact CE2-CZ 3.63Å; F349-F464 HydrophobicContact CG-CE1 4.2Å; F349-F464 HydrophobicContact CG-CE2 4.37Å; F349-F464 AromaticContact CG-CZ 3.58Å; F349-F464 HydrophobicContact CG-CZ 3.58Å; F349-F464 AromaticContact CZ-CE2 3.57Å; F349-F464 HydrophobicContact CZ-CE2 3.57Å; F349-F464 AromaticContact CZ-CZ 3.58Å; F349-F464 HydrophobicContact CZ-CZ 3.58Å |
| 350 | S | 74.5 | Confident | 73.4 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129.5 | 162.2 | -171.4 | 0 | 0 | 0 | 0 | 110 | R84 R370 | R84-S350 WeakPolarHBondContact CD-OG 3.49Å; R84-S350 WeakPolarHBondContact CG-OG 3.09Å; S350-R370 PolarHBondContact N-O 3Å; S350-R370 PolarHBondContact O-N 2.8Å |
| 351 | P | 71.8 | Confident | 74 | Confident | 17 Ų | 17 | 58.9 Ų | 58.9 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | S | Bend | cis | -67 | 150 | -2.8 | 29.8 | -37.6 | 0 | 0 | 0 | 113.3 | S82 F349 L353 F359 | S82-P351 VanDerWaalsContact CB-CB 3.5Å; F349-P351 CarbonylContact O-C 3.52Å; F349-P351 VanDerWaalsContact O-C 3.23Å; F349-P351 VanDerWaalsContact O-O 3.14Å; P351-L353 HydrophobicContact CG-CD2 4.41Å; P351-L353 HydrophobicContact CG-CG 4.36Å; P351-L353 PolarHBondContact O-N 2.8Å; P351-F359 HydrophobicContact CG-CD2 3.85Å; P351-F359 HydrophobicContact CG-CE2 3.7Å; P351-F359 HydrophobicContact CG-CG 4.43Å; P351-F359 HydrophobicContact CG-CZ 4.14Å |
| 352 | R | 68.3 | Low | 74.3 | Confident | 111 Ų | 111 | 64 Ų | 64 | 42% | 0.419 | 29% | 0.292 | S | S | . | . | trans | -77.2 | 84.5 | -178.2 | -58.1 | -167.2 | 92.6 | -176 | 12.5 | 111.3 | S347 F349 | S347-R352 VanDerWaalsContact O-CZ 3.29Å; S347-R352 PolarHBondContact O-NE 3.22Å; S347-R352 PolarHBondContact O-NH2 3.4Å; F349-R352 WeakPolarHBondContact O-CA 3.35Å; F349-R352 WeakPolarHBondContact O-CG 3.38Å; F349-R352 PolarHBondContact O-N 2.72Å | ||
| 353 | L | 71 | Confident | 74.6 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -73 | 129.7 | -175.4 | -66.3 | 165.6 | 0 | 0 | 0 | 112.1 | R346 P351 Q357 F359 L369 F464 | R346-L353 WeakPolarHBondContact CB-O 3.27Å; P351-L353 HydrophobicContact CG-CD2 4.41Å; P351-L353 HydrophobicContact CG-CG 4.36Å; P351-L353 PolarHBondContact O-N 2.8Å; L353-Q357 HydrophobicContact CD2-CG 4.17Å; L353-F359 HydrophobicContact CD1-CB 4.07Å; L353-F359 HydrophobicContact CD2-CB 4.36Å; L353-L369 HydrophobicContact CD1-CD1 4.32Å; L353-F464 HydrophobicContact CD1-CD1 3.72Å; L353-F464 HydrophobicContact CD1-CE1 4.1Å |
| 354 | K | 67.6 | Low | 74.8 | Confident | 159 Ų | 159 | 64.6 Ų | 64.6 | 69% | 0.691 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 163.7 | 173.3 | -63.3 | 174.5 | -176.8 | 174 | 0 | 111.2 | R346 N356 Q357 | R346-K354 PolarHBondContact NH1-O 3.04Å; K354-N356 PolarHBondContact O-N 2.67Å; K354-Q357 HydrophobicContact CB-CB 4.07Å; K354-Q357 VanDerWaalsContact CB-OE1 3.31Å; K354-Q357 VanDerWaalsContact O-CB 3.3Å; K354-Q357 WeakPolarHBondContact O-CB 3.35Å; K354-Q357 PolarHBondContact O-N 3.15Å |
| 355 | K | 66 | Low | 75 | Confident | 193 Ų | 193 | 67.6 Ų | 67.6 | 84% | 0.839 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 125.8 | 174.9 | -170.9 | 170.5 | -176.7 | 174 | 0 | 109.8 | Q357 | K355-Q357 PolarHBondContact O-N 2.81Š|
| 356 | N | 68.4 | Low | 75.3 | Confident | 101 Ų | 101 | 66.9 Ų | 66.9 | 54% | 0.54 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 10.7 | -173.9 | -53.8 | 8.3 | 0 | 0 | 0 | 116.1 | K354 | K354-N356 PolarHBondContact O-N 2.67Š|
| 357 | Q | 71 | Confident | 75.6 | Confident | 74 Ų | 74 | 64.6 Ų | 64.6 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | trans | -79.4 | 128.5 | 173.2 | -172.6 | 177.7 | -9.1 | 0 | 0 | 110.3 | R346 L353 K354 K355 | R346-Q357 PolarHBondContact NH1-O 3.4Å; L353-Q357 HydrophobicContact CD2-CG 4.17Å; K354-Q357 HydrophobicContact CB-CB 4.07Å; K354-Q357 VanDerWaalsContact CB-OE1 3.31Å; K354-Q357 VanDerWaalsContact O-CB 3.3Å; K354-Q357 WeakPolarHBondContact O-CB 3.35Å; K354-Q357 PolarHBondContact O-N 3.15Å; K355-Q357 PolarHBondContact O-N 2.81Å | ||
| 358 | P | 78.9 | Confident | 76.3 | Confident | 35 Ų | 35 | 64.2 Ų | 64.2 | 23% | 0.227 | 31% | 0.305 | C | S | . | . | trans | -77.6 | 155.4 | 169.6 | 31.8 | -33.6 | 0 | 0 | 0 | 111.2 | I360 D465 L467 | P358-I360 HydrophobicContact CG-CG1 4.22Å; P358-I360 PolarHBondContact O-N 3.04Å; P358-D465 CarbonylContact C-O 3.58Å; P358-D465 VanDerWaalsContact CA-O 3.24Å; P358-D465 WeakPolarHBondContact CA-O 3.31Å; P358-D465 HydrophobicContact CB-CB 4.31Å; P358-D465 WeakPolarHBondContact CB-O 3.26Å; P358-L467 HydrophobicContact CB-CD1 3.64Å; P358-L467 HydrophobicContact CB-CG 3.85Å; P358-L467 HydrophobicContact CG-CD1 3.59Å; P358-L467 HydrophobicContact CG-CG 4.34Å | ||
| 359 | F | 83.9 | Confident | 77 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 109 | 168.5 | -174.3 | -161.5 | 0 | 0 | 0 | 108.7 | P351 L353 V361 A367 L369 D465 I466 L467 | P351-F359 HydrophobicContact CG-CD2 3.85Å; P351-F359 HydrophobicContact CG-CE2 3.7Å; P351-F359 HydrophobicContact CG-CG 4.43Å; P351-F359 HydrophobicContact CG-CZ 4.14Å; L353-F359 HydrophobicContact CD1-CB 4.07Å; L353-F359 HydrophobicContact CD2-CB 4.36Å; F359-V361 HydrophobicContact CD1-CG2 4.27Å; F359-V361 HydrophobicContact CD2-CG2 4.02Å; F359-V361 HydrophobicContact CE1-CG2 4.08Å; F359-V361 HydrophobicContact CE2-CG2 3.79Å; F359-V361 HydrophobicContact CG-CG2 4.25Å; F359-V361 HydrophobicContact CZ-CG2 3.83Å; F359-A367 HydrophobicContact CD1-CB 4.44Å; F359-A367 HydrophobicContact CE1-CB 3.83Å; F359-A367 HydrophobicContact CZ-CB 4.46Å; F359-L369 HydrophobicContact CD1-CB 4.42Å; F359-L369 HydrophobicContact CE1-CB 4.27Å; F359-D465 PolarHBondContact N-O 2.81Å; F359-I466 HydrophobicContact CB-CG1 4.43Å; F359-I466 HydrophobicContact CD1-CD1 4.45Å; F359-I466 HydrophobicContact CD1-CG1 4.37Å; F359-I466 WeakPolarHBondContact O-CA 3.22Å; F359-L467 PolarHBondContact O-N 3.44Å |
| 360 | I | 79.5 | Confident | 77.1 | Confident | 92 Ų | 92 | 64.7 Ų | 64.7 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 126.4 | -178.7 | -54.9 | 178.9 | 0 | 0 | 0 | 108.9 | P358 L467 N469 | P358-I360 HydrophobicContact CG-CG1 4.22Å; P358-I360 PolarHBondContact O-N 3.04Å; I360-L467 WeakPolarHBondContact CA-O 3.44Å; I360-N469 HydrophobicContact CG2-CB 3.71Å |
| 361 | V | 79.9 | Confident | 77.4 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 153.7 | 178.4 | -171.6 | 0 | 0 | 0 | 0 | 108.5 | F359 E365 A367 V441 L467 V468 N469 | F359-V361 HydrophobicContact CD1-CG2 4.27Å; F359-V361 HydrophobicContact CD2-CG2 4.02Å; F359-V361 HydrophobicContact CE1-CG2 4.08Å; F359-V361 HydrophobicContact CE2-CG2 3.79Å; F359-V361 HydrophobicContact CG-CG2 4.25Å; F359-V361 HydrophobicContact CZ-CG2 3.83Å; V361-E365 HydrophobicContact CG1-CB 3.75Å; V361-A367 HydrophobicContact CG2-CB 3.96Å; V361-V441 HydrophobicContact CG1-CB 4.21Å; V361-V441 HydrophobicContact CG1-CG1 4.42Å; V361-V441 HydrophobicContact CG1-CG2 3.99Å; V361-L467 PolarHBondContact N-O 2.9Å; V361-V468 WeakPolarHBondContact O-CA 3.47Å; V361-N469 PolarHBondContact O-N 2.73Å; V361-N469 VanDerWaalsContact O-N 3.14Å |
| 362 | R | 76.7 | Confident | 77.2 | Confident | 132 Ų | 132 | 64.3 Ų | 64.3 | 50% | 0.498 | 30% | 0.301 | S | S | . | . | trans | -93.7 | 159.8 | 174 | -52.1 | -176.2 | -167.9 | 123 | 1.1 | 111.5 | N364 E365 | R362-N364 PolarHBondContact O-N 2.86Å; R362-E365 VanDerWaalsContact CB-CD 3.5Å; R362-E365 HydrophobicContact CB-CG 4.09Å; R362-E365 VanDerWaalsContact CB-OE2 3.31Å; R362-E365 WeakPolarHBondContact CB-OE2 3.32Å; R362-E365 WeakPolarHBondContact CD-OE1 3.33Å; R362-E365 VanDerWaalsContact CG-OE2 3.27Å; R362-E365 WeakPolarHBondContact CG-OE2 3.36Å; R362-E365 IonicContact CZ-OE1 3.61Å; R362-E365 PolarHBondContact N-OE2 3.45Å; R362-E365 VanDerWaalsContact N-OE2 3.14Å; R362-E365 IonicContact NE-OE1 2.7Å; R362-E365 IonicContact NH1-OE1 3.36Å; R362-E365 PolarHBondContact NH1-OE1 3.25Å; R362-E365 PolarHBondContact O-N 3.07Å | ||
| 363 | I | 77.9 | Confident | 76.9 | Confident | 60 Ų | 60 | 59.9 Ų | 59.9 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 131.8 | 172.2 | -54.1 | 174.8 | 0 | 0 | 0 | 108.8 | E365 V441 E443 V468 | I363-E365 VanDerWaalsContact C-N 3.3Å; I363-E365 PolarHBondContact O-N 2.83Å; I363-V441 WeakPolarHBondContact CA-O 3.41Å; I363-E443 HydrophobicContact CD1-CG 3.82Å; I363-E443 WeakPolarHBondContact CD1-OE1 3.45Å; I363-E443 HydrophobicContact CG1-CG 4.3Å; I363-V468 HydrophobicContact CB-CG1 4.47Å; I363-V468 HydrophobicContact CG1-CG1 3.52Å |
| 364 | N | 79.5 | Confident | 75.8 | Confident | 124 Ų | 124 | 63 Ų | 63 | 66% | 0.663 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 9.8 | -174.4 | -45 | -51.2 | 0 | 0 | 0 | 116.5 | R362 V441 | R362-N364 PolarHBondContact O-N 2.86Å; N364-V441 PolarHBondContact N-O 2.7Å |
| 365 | E | 80.8 | Confident | 74.8 | Confident | 79 Ų | 79 | 57.7 Ų | 57.7 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -91 | 164.4 | 162.6 | -69.6 | 172.3 | 178.4 | 0 | 0 | 109.9 | V361 R362 I363 V441 | V361-E365 HydrophobicContact CG1-CB 3.75Å; R362-E365 VanDerWaalsContact CB-CD 3.5Å; R362-E365 HydrophobicContact CB-CG 4.09Å; R362-E365 VanDerWaalsContact CB-OE2 3.31Å; R362-E365 WeakPolarHBondContact CB-OE2 3.32Å; R362-E365 WeakPolarHBondContact CD-OE1 3.33Å; R362-E365 VanDerWaalsContact CG-OE2 3.27Å; R362-E365 WeakPolarHBondContact CG-OE2 3.36Å; R362-E365 IonicContact CZ-OE1 3.61Å; R362-E365 PolarHBondContact N-OE2 3.45Å; R362-E365 VanDerWaalsContact N-OE2 3.14Å; R362-E365 IonicContact NE-OE1 2.7Å; R362-E365 IonicContact NH1-OE1 3.36Å; R362-E365 PolarHBondContact NH1-OE1 3.25Å; R362-E365 PolarHBondContact O-N 3.07Å; I363-E365 VanDerWaalsContact C-N 3.3Å; I363-E365 PolarHBondContact O-N 2.83Å; E365-V441 VanDerWaalsContact O-CB 3.23Å; E365-V441 WeakPolarHBondContact O-CB 3.44Å; E365-V441 VanDerWaalsContact O-CG2 3.24Å; E365-V441 WeakPolarHBondContact O-CG2 3.39Å; E365-V441 PolarHBondContact O-N 2.96Å |
| 366 | D | 83.4 | Confident | 73.4 | Confident | 64 Ų | 64 | 49 Ų | 49 | 34% | 0.342 | 25% | 0.245 | S | C | . | . | trans | -95.2 | 130 | 178.8 | -77.3 | -11.7 | 0 | 0 | 0 | 112 | N368 I438 H439 S440 | D366-N368 PolarHBondContact O-N 3.03Å; D366-I438 WeakPolarHBondContact CA-O 3.22Å; D366-H439 VanDerWaalsContact OD1-CA 3.28Å; D366-H439 WeakPolarHBondContact OD1-CA 3.12Å; D366-H439 IonicContact OD1-CE1 3.35Å; D366-H439 IonicContact OD1-CG 3.43Å; D366-H439 IonicContact OD1-ND1 2.6Å; D366-H439 PolarHBondContact OD1-ND1 2.8Å; D366-H439 IonicContact OD2-CE1 3.66Å; D366-H439 PolarHBondContact OD2-CE1 2.88Å; D366-H439 IonicContact OD2-ND1 2.67Å; D366-H439 PolarHBondContact OD2-ND1 2.96Å; D366-S440 PolarHBondContact OD1-N 3.11Å | ||
| 367 | A | 84.9 | Confident | 71.9 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 111.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | F359 V361 V437 I438 V441 I466 | F359-A367 HydrophobicContact CD1-CB 4.44Å; F359-A367 HydrophobicContact CE1-CB 3.83Å; F359-A367 HydrophobicContact CZ-CB 4.46Å; V361-A367 HydrophobicContact CG2-CB 3.96Å; A367-V437 WeakPolarHBondContact O-CA 3.42Å; A367-I438 HydrophobicContact CB-CB 4Å; A367-I438 HydrophobicContact CB-CD1 4.28Å; A367-I438 HydrophobicContact CB-CG1 4.36Å; A367-I438 PolarHBondContact N-O 2.86Å; A367-I438 PolarHBondContact O-N 3.11Å; A367-V441 HydrophobicContact CB-CG2 3.82Å; A367-I466 HydrophobicContact CB-CD1 4.45Å |
| 368 | N | 85.9 | Confident | 70.2 | Confident | 41 Ų | 41 | 45 Ų | 45 | 22% | 0.219 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 110.5 | 173.5 | -81.1 | -96.2 | 0 | 0 | 0 | 109.2 | D366 R370 | D366-N368 PolarHBondContact O-N 3.03Å; N368-R370 PolarHBondContact OD1-NE 2.85Å; N368-R370 PolarHBondContact OD1-NH2 3.47Å |
| 369 | L | 86.9 | Confident | 68.1 | Low | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 97.8 | 178 | 179.6 | 64.6 | 0 | 0 | 0 | 109.3 | F349 L353 F359 W395 L436 F464 | F349-L369 HydrophobicContact CB-CD1 4.2Å; F349-L369 HydrophobicContact CD1-CD1 4Å; F349-L369 HydrophobicContact CD1-CG 4.05Å; L353-L369 HydrophobicContact CD1-CD1 4.32Å; F359-L369 HydrophobicContact CD1-CB 4.42Å; F359-L369 HydrophobicContact CE1-CB 4.27Å; L369-W395 HydrophobicContact CD2-CH2 3.81Å; L369-W395 HydrophobicContact CD2-CZ3 4.25Å; L369-W395 HydrophobicContact CG-CH2 4.28Å; L369-L436 HydrophobicContact CB-CB 4.35Å; L369-L436 PolarHBondContact N-O 3.2Å; L369-L436 PolarHBondContact O-N 2.99Å; L369-F464 HydrophobicContact CD1-CD1 4.35Å; L369-F464 HydrophobicContact CD1-CE1 4.33Å; L369-F464 HydrophobicContact CD2-CB 3.83Å; L369-F464 HydrophobicContact CD2-CD1 3.93Å; L369-F464 HydrophobicContact CD2-CD2 3.68Å; L369-F464 HydrophobicContact CD2-CE1 4.4Å; L369-F464 HydrophobicContact CD2-CE2 4.18Å; L369-F464 HydrophobicContact CD2-CG 3.54Å |
| 370 | R | 81.4 | Confident | 65.7 | Low | 16 Ų | 16 | 48.9 Ų | 48.9 | 6% | 0.06 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 115.1 | -167.1 | -52.7 | -160.5 | 175.3 | -154.5 | -4.3 | 111.1 | D99 F349 S350 N368 Y372 H435 | D99-R370 IonicContact OD1-NH1 3.23Å; D99-R370 PolarHBondContact OD1-NH1 2.83Å; D99-R370 WeakPolarHBondContact OD2-CD 3.25Å; D99-R370 IonicContact OD2-CZ 2.7Å; D99-R370 IonicContact OD2-NE 2.76Å; D99-R370 IonicContact OD2-NH1 2.81Å; D99-R370 PolarHBondContact OD2-NH1 3.21Å; F349-R370 CarbonylContact C-O 3.55Å; F349-R370 VanDerWaalsContact CA-O 3.26Å; F349-R370 WeakPolarHBondContact CA-O 3.43Å; S350-R370 PolarHBondContact N-O 3Å; S350-R370 PolarHBondContact O-N 2.8Å; N368-R370 PolarHBondContact OD1-NE 2.85Å; N368-R370 PolarHBondContact OD1-NH2 3.47Å; R370-Y372 HydrophobicContact CB-CE2 3.66Å; R370-Y372 WeakPolarHBondContact CB-OH 3.25Å; R370-Y372 WeakPolarHBondContact O-CD2 3.37Å; R370-Y372 WeakPolarHBondContact O-CE2 3.07Å; R370-H435 HydrophobicContact CB-CB 4.13Å; R370-H435 HydrophobicContact CG-CB 4.06Å |
| 371 | Y | 82.2 | Confident | 63.4 | Low | 5 Ų | 5 | 53.6 Ų | 53.6 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 132.5 | 173.8 | 179 | -127.2 | 0 | 0 | 0 | 111.2 | P344 D348 F349 S373 I393 H435 M451 L453 | P344-Y371 HydrophobicContact CB-CE2 3.92Å; D348-Y371 HydrophobicContact CB-CD2 4.4Å; D348-Y371 HydrophobicContact CB-CE2 4.1Å; D348-Y371 WeakPolarHBondContact O-CD2 3.38Å; F349-Y371 HydrophobicContact CD1-CD2 4.38Å; F349-Y371 AromaticContact CD2-CD2 3.91Å; F349-Y371 HydrophobicContact CD2-CD2 3.91Å; F349-Y371 AromaticContact CE1-CD2 3.91Å; F349-Y371 HydrophobicContact CE1-CD2 3.91Å; F349-Y371 HydrophobicContact CE1-CG 4.1Å; F349-Y371 AromaticContact CE2-CD2 3.36Å; F349-Y371 HydrophobicContact CE2-CD2 3.36Å; F349-Y371 AromaticContact CE2-CE2 3.85Å; F349-Y371 HydrophobicContact CE2-CE2 3.85Å; F349-Y371 HydrophobicContact CE2-CG 4.32Å; F349-Y371 HydrophobicContact CG-CD2 4.39Å; F349-Y371 AromaticContact CZ-CD2 3.36Å; F349-Y371 HydrophobicContact CZ-CD2 3.36Å; F349-Y371 HydrophobicContact CZ-CE2 4.09Å; F349-Y371 AromaticContact CZ-CG 3.9Å; F349-Y371 HydrophobicContact CZ-CG 3.9Å; Y371-S373 WeakPolarHBondContact CE1-OG 3.41Å; Y371-I393 HydrophobicContact CD1-CD1 4.09Å; Y371-I393 HydrophobicContact CE1-CD1 3.99Å; Y371-H435 PolarHBondContact N-ND1 2.92Å; Y371-H435 PolarHBondContact O-CE1 3.41Å; Y371-H435 PolarHBondContact O-ND1 2.89Å; Y371-H435 VanDerWaalsContact O-ND1 3.14Å; Y371-M451 HydrophobicContact CD1-CE 3.57Å; Y371-M451 HydrophobicContact CD1-SD 3.97Å; Y371-M451 HydrophobicContact CD2-CE 3.86Å; Y371-M451 HydrophobicContact CE1-CE 3.67Å; Y371-M451 HydrophobicContact CE2-CE 3.94Å; Y371-M451 HydrophobicContact CG-CE 3.67Å; Y371-M451 HydrophobicContact CG-SD 3.91Å; Y371-L453 HydrophobicContact CE1-CD2 4.17Å |
| 372 | Y | 66.5 | Low | 61.2 | Low | 13 Ų | 13 | 59.5 Ų | 59.5 | 5% | 0.051 | 31% | 0.308 | C | S | . | . | trans | -134.4 | 99.5 | 169.7 | -46.8 | -89.7 | 0 | 0 | 0 | 107.5 | E49 H97 D99 D348 R370 | E49-Y372 HydrophobicContact CG-CD1 4.32Å; E49-Y372 HydrophobicContact CG-CE1 4.19Å; H97-Y372 HydrophobicContact CB-CD1 4.49Å; H97-Y372 HydrophobicContact CB-CD2 3.64Å; H97-Y372 HydrophobicContact CB-CE1 4.48Å; H97-Y372 HydrophobicContact CB-CE2 3.63Å; H97-Y372 HydrophobicContact CB-CG 4.08Å; H97-Y372 AromaticContact CG-CD2 3.82Å; D99-Y372 PolarHBondContact OD2-OH 3.4Å; D348-Y372 CarbonylContact O-C 3.55Å; D348-Y372 PolarHBondContact O-N 2.84Å; R370-Y372 HydrophobicContact CB-CE2 3.66Å; R370-Y372 WeakPolarHBondContact CB-OH 3.25Å; R370-Y372 WeakPolarHBondContact O-CD2 3.37Å; R370-Y372 WeakPolarHBondContact O-CE2 3.07Å | ||
| 373 | S | 61.8 | Low | 59.1 | Low | 18 Ų | 18 | 57 Ų | 57 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | trans | -59.2 | 165.8 | 168.3 | -1.3 | 0 | 0 | 0 | 0 | 110.7 | Y371 E375 | Y371-S373 WeakPolarHBondContact CE1-OG 3.41Å; S373-E375 WeakPolarHBondContact CB-OE1 3.45Å; S373-E375 PolarHBondContact O-N 2.9Å; S373-E375 VanDerWaalsContact OG-CD 3.31Å; S373-E375 PolarHBondContact OG-OE1 3.36Å | ||
| 374 | D | 49.2 | Very low | 57.3 | Low | 81 Ų | 81 | 62.3 Ų | 62.3 | 43% | 0.433 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -68.5 | 33.3 | 167.8 | -61.2 | -45.5 | 0 | 0 | 0 | 112.6 | Y342 K345 S376 | Y342-D374 WeakPolarHBondContact CE2-OD2 3.39Å; Y342-D374 PolarHBondContact OH-OD2 3.21Å; K345-D374 IonicContact NZ-OD2 3.58Å; D374-S376 PolarHBondContact O-N 3.19Å |
| 375 | E | 46.4 | Very low | 56 | Low | 46 Ų | 46 | 61.8 Ų | 61.8 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | trans | -77.1 | 59.7 | 176.2 | -80.2 | 168.1 | -131.9 | 0 | 0 | 110.9 | M132 S373 R434 | M132-E375 HydrophobicContact CE-CB 4.18Å; M132-E375 WeakPolarHBondContact CE-O 3.36Å; S373-E375 WeakPolarHBondContact CB-OE1 3.45Å; S373-E375 PolarHBondContact O-N 2.9Å; S373-E375 VanDerWaalsContact OG-CD 3.31Å; S373-E375 PolarHBondContact OG-OE1 3.36Å; E375-R434 IonicContact OE1-NH1 3.96Å; E375-R434 IonicContact OE1-NH2 2.8Å; E375-R434 IonicContact OE2-CZ 3.41Å; E375-R434 IonicContact OE2-NH1 2.96Å; E375-R434 PolarHBondContact OE2-NH1 2.63Å; E375-R434 IonicContact OE2-NH2 2.81Å; E375-R434 PolarHBondContact OE2-NH2 2.95Å | ||
| 376 | S | 36.3 | Very low | 54.8 | Low | 12 Ų | 12 | 61.8 Ų | 61.8 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | trans | -132.1 | 95.8 | 177.7 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | E48 Q51 D374 S378 N379 S380 | E48-S376 WeakPolarHBondContact OE2-CA 3.34Å; E48-S376 WeakPolarHBondContact OE2-CB 3.37Å; Q51-S376 VanDerWaalsContact CD-CB 3.48Å; Q51-S376 PolarHBondContact NE2-OG 3.49Å; D374-S376 PolarHBondContact O-N 3.19Å; S376-S378 PolarHBondContact O-N 3.48Å; S376-S378 VanDerWaalsContact O-N 3.13Å; S376-N379 PolarHBondContact O-N 3.1Å; S376-N379 VanDerWaalsContact O-N 3.14Å; S376-S380 PolarHBondContact O-N 3.16Å; S376-S380 PolarHBondContact O-OG 2.81Å | ||
| 377 | P | 36 | Very low | 53.6 | Low | 23 Ų | 23 | 59.5 Ų | 59.5 | 15% | 0.149 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.9 | -177.2 | -21.2 | 34.4 | 0 | 0 | 0 | 113 | E48 M132 A213 N379 S380 F381 | E48-P377 VanDerWaalsContact OE1-CD 3.25Å; E48-P377 WeakPolarHBondContact OE1-CD 3.44Å; M132-P377 HydrophobicContact CE-CG 3.78Å; M132-P377 HydrophobicContact SD-CG 3.34Å; M132-P377 WeakPolarHBondContact SD-CG 3.31Å; A213-P377 HydrophobicContact CB-CB 4.38Å; A213-P377 HydrophobicContact CB-CG 4.05Å; A213-P377 VanDerWaalsContact O-CB 3.22Å; A213-P377 WeakPolarHBondContact O-CB 3.11Å; A213-P377 WeakPolarHBondContact O-CG 3.47Å; P377-N379 PolarHBondContact O-N 2.94Å; P377-S380 WeakPolarHBondContact CA-OG 3.27Å; P377-F381 WeakPolarHBondContact O-CD2 3.4Å |
| 378 | S | 36.1 | Very low | 52.4 | Low | 68 Ų | 68 | 61.8 Ų | 61.8 | 48% | 0.476 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -26.9 | 174.1 | 47.2 | 0 | 0 | 0 | 0 | 114.2 | E48 S376 | E48-S378 PolarHBondContact OE2-OG 2.8Å; S376-S378 PolarHBondContact O-N 3.48Å; S376-S378 VanDerWaalsContact O-N 3.13Å |
| 379 | N | 35.3 | Very low | 51.3 | Low | 121 Ų | 121 | 61.3 Ų | 61.3 | 65% | 0.647 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.4 | -3.2 | 180 | -81.8 | -61.9 | 0 | 0 | 0 | 114.9 | Q51 S376 P377 | Q51-N379 PolarHBondContact OE1-ND2 2.87Å; Q51-N379 VanDerWaalsContact OE1-ND2 3.08Å; S376-N379 PolarHBondContact O-N 3.1Å; S376-N379 VanDerWaalsContact O-N 3.14Å; P377-N379 PolarHBondContact O-N 2.94Å |
| 380 | S | 33 | Very low | 49.9 | Very low | 22 Ų | 22 | 64.9 Ų | 64.9 | 15% | 0.154 | 35% | 0.354 | C | S | . | . | trans | -95.6 | 6 | -167.4 | 70.3 | 0 | 0 | 0 | 0 | 116.4 | S376 P377 V382 T383 | S376-S380 PolarHBondContact O-N 3.16Å; S376-S380 PolarHBondContact O-OG 2.81Å; P377-S380 WeakPolarHBondContact CA-OG 3.27Å; S380-V382 PolarHBondContact O-N 3.07Å; S380-T383 PolarHBondContact O-N 2.9Å | ||
| 381 | F | 32.1 | Very low | 49.3 | Very low | 191 Ų | 191 | 64.7 Ų | 64.7 | 84% | 0.838 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 5.6 | 175.2 | -82.5 | -86.3 | 0 | 0 | 0 | 115.2 | P377 | P377-F381 WeakPolarHBondContact O-CD2 3.4Š|
| 382 | V | 32.3 | Very low | 48.9 | Very low | 131 Ų | 131 | 71.4 Ų | 71.4 | 79% | 0.794 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -136.8 | 14.1 | -172.7 | -152.3 | 0 | 0 | 0 | 0 | 113.3 | S380 | S380-V382 PolarHBondContact O-N 3.07Š|
| 383 | T | 32.7 | Very low | 49.6 | Very low | 78 Ų | 78 | 71.9 Ų | 71.9 | 48% | 0.479 | 39% | 0.387 | S | S | . | . | trans | -138 | 123.8 | -176.9 | 47.4 | 0 | 0 | 0 | 0 | 115.4 | S380 Q385 | S380-T383 PolarHBondContact O-N 2.9Å; T383-Q385 PolarHBondContact O-N 3.14Å | ||
| 384 | D | 41.4 | Very low | 50.8 | Low | 173 Ų | 173 | 73.4 Ų | 73.4 | 93% | 0.925 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -72.1 | 31.9 | 175.6 | -50.6 | -67.2 | 0 | 0 | 0 | 114.2 | ||
| 385 | Q | 52.4 | Low | 52.7 | Low | 113 Ų | 113 | 69.7 Ų | 69.7 | 53% | 0.528 | 37% | 0.373 | S | S | . | . | trans | -129.9 | 41.9 | -166.3 | -61.6 | -170.2 | 24.4 | 0 | 0 | 113.6 | Y342 T383 | Y342-Q385 HydrophobicContact CD2-CB 4.46Å; Y342-Q385 WeakPolarHBondContact CD2-O 3.35Å; T383-Q385 PolarHBondContact O-N 3.14Å | ||
| 386 | I | 53.7 | Low | 54.8 | Low | 78 Ų | 78 | 69.8 Ų | 69.8 | 40% | 0.4 | 37% | 0.373 | S | S | . | . | trans | -108.1 | 147.7 | 171.9 | -49.5 | 177.5 | 0 | 0 | 0 | 109.1 | ||||
| 387 | S | 59.6 | Low | 57.3 | Low | 17 Ų | 17 | 70.5 Ų | 70.5 | 12% | 0.119 | 38% | 0.375 | C | S | . | . | trans | -75.6 | 127.6 | 169.9 | -57.6 | 0 | 0 | 0 | 0 | 110.1 | A340 Y342 | A340-S387 CarbonylContact O-C 3.58Å; A340-S387 WeakPolarHBondContact O-CA 3.17Å; Y342-S387 VanDerWaalsContact CB-OG 3.25Å; Y342-S387 WeakPolarHBondContact CB-OG 3.31Å; Y342-S387 PolarHBondContact N-OG 2.83Å | ||
| 388 | N | 59.9 | Low | 59 | Low | 50 Ų | 50 | 73.3 Ų | 73.3 | 27% | 0.267 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -132.5 | 118.4 | 173.3 | -167.4 | 20 | 0 | 0 | 0 | 109.9 | F247 E337 A339 A340 | F247-N388 WeakPolarHBondContact CE1-OD1 3.43Å; E337-N388 PolarHBondContact OE2-ND2 3.09Å; A339-N388 CarbonylContact C-O 3.6Å; A339-N388 VanDerWaalsContact CA-O 3.28Å; A339-N388 WeakPolarHBondContact CA-O 3.45Å; A340-N388 PolarHBondContact N-O 2.8Å; A340-N388 PolarHBondContact O-N 3.25Å; A340-N388 VanDerWaalsContact O-O 3.12Å |
| 389 | P | 61.5 | Low | 60.7 | Low | 30 Ų | 30 | 78.2 Ų | 78.2 | 20% | 0.195 | 41% | 0.406 | C | S | . | . | S | Bend | cis | -72.1 | 172.1 | -8 | 33.4 | -35.1 | 0 | 0 | 0 | 111.8 | F247 N455 T456 | F247-P389 HydrophobicContact CB-CG 4.5Å; F247-P389 HydrophobicContact CD1-CB 4.37Å; F247-P389 HydrophobicContact CD1-CG 4.49Å; F247-P389 HydrophobicContact CD2-CB 4.17Å; F247-P389 HydrophobicContact CD2-CG 4.04Å; F247-P389 HydrophobicContact CE1-CB 4.25Å; F247-P389 HydrophobicContact CE2-CB 4.04Å; F247-P389 HydrophobicContact CE2-CG 4.4Å; F247-P389 HydrophobicContact CG-CB 4.33Å; F247-P389 HydrophobicContact CG-CG 4.09Å; F247-P389 HydrophobicContact CZ-CB 4.08Å; P389-N455 HydrophobicContact CG-CB 4.45Å; P389-N455 PolarHBondContact O-ND2 3.07Å; P389-T456 WeakPolarHBondContact CD-OG1 3.07Å; P389-T456 HydrophobicContact CG-CG2 4.46Å |
| 390 | T | 58.6 | Low | 62.7 | Low | 76 Ų | 76 | 77 Ų | 77 | 47% | 0.466 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 132.4 | 175.9 | -48.2 | 0 | 0 | 0 | 0 | 111.8 | P134 | P134-T390 HydrophobicContact CB-CG2 4.05Š|
| 391 | P | 68.7 | Low | 64.3 | Low | 12 Ų | 12 | 85.4 Ų | 85.4 | 8% | 0.078 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 141.4 | -173.5 | 33.4 | -33.7 | 0 | 0 | 0 | 112.8 | L341 I393 L453 T454 N455 | L341-P391 HydrophobicContact CD1-CB 3.8Å; L341-P391 HydrophobicContact CD1-CG 4.23Å; P391-I393 PolarHBondContact O-N 2.9Å; P391-L453 HydrophobicContact CB-CB 4.09Å; P391-L453 HydrophobicContact CG-CB 4.39Å; P391-L453 HydrophobicContact CG-CD2 3.96Å; P391-T454 CarbonylContact C-O 3.57Å; P391-T454 VanDerWaalsContact CA-O 3.29Å; P391-T454 WeakPolarHBondContact CA-O 2.79Å; P391-N455 HydrophobicContact CB-CB 4.2Å |
| 392 | K | 73.5 | Confident | 66.5 | Low | 147 Ų | 147 | 84 Ų | 84 | 64% | 0.639 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 121.5 | 167.2 | 179.5 | 176.1 | -177.5 | 174 | 0 | 109.5 | I394 L453 T454 | K392-I394 HydrophobicContact CG-CG1 4.41Å; K392-L453 CarbonylContact O-C 3.54Å; K392-L453 WeakPolarHBondContact O-CA 3.25Å; K392-T454 PolarHBondContact N-O 3.05Å; K392-T454 PolarHBondContact O-N 3.16Å; K392-T454 PolarHBondContact O-OG1 2.98Å; K392-T454 VanDerWaalsContact O-OG1 3.04Å |
| 393 | I | 81.3 | Confident | 68.9 | Low | 22 Ų | 22 | 81 Ų | 81 | 11% | 0.113 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 137.1 | -179.8 | -53.5 | 173.3 | 0 | 0 | 0 | 109.8 | Y371 P391 G433 R434 M451 I452 L453 | Y371-I393 HydrophobicContact CD1-CD1 4.09Å; Y371-I393 HydrophobicContact CE1-CD1 3.99Å; P391-I393 PolarHBondContact O-N 2.9Å; I393-G433 VanDerWaalsContact CG2-O 3.28Å; I393-G433 WeakPolarHBondContact CG2-O 3.28Å; I393-R434 HydrophobicContact CD1-CG 4.08Å; I393-M451 HydrophobicContact CG2-CE 4.43Å; I393-M451 HydrophobicContact CG2-CG 3.65Å; I393-M451 HydrophobicContact CG2-SD 3.91Å; I393-I452 CarbonylContact C-O 3.58Å; I393-I452 VanDerWaalsContact CA-O 3.29Å; I393-I452 WeakPolarHBondContact CA-O 3.15Å; I393-L453 HydrophobicContact CG1-CD2 4.36Å; I393-L453 HydrophobicContact CG1-CG 4.22Å |
| 394 | I | 86.6 | Confident | 71.6 | Confident | 51 Ų | 51 | 77.9 Ų | 77.9 | 26% | 0.262 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 136.4 | 178.3 | -50.2 | 178.6 | 0 | 0 | 0 | 108.8 | K392 I452 | K392-I394 HydrophobicContact CG-CG1 4.41Å; I394-I452 PolarHBondContact N-O 3.33Å; I394-I452 PolarHBondContact O-N 3.3Å |
| 395 | W | 90.7 | Very high | 73.7 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.008 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 143.5 | 175.3 | -79.7 | 90.2 | 0 | 0 | 0 | 111.6 | F349 L369 S403 I404 A430 R434 L436 M451 F464 | F349-W395 HydrophobicContact CE1-CH2 4.01Å; F349-W395 HydrophobicContact CE1-CZ2 4.06Å; L369-W395 HydrophobicContact CD2-CH2 3.81Å; L369-W395 HydrophobicContact CD2-CZ3 4.25Å; L369-W395 HydrophobicContact CG-CH2 4.28Å; W395-S403 CarbonylContact O-C 3.6Å; W395-S403 WeakPolarHBondContact O-CA 3.15Å; W395-I404 HydrophobicContact CB-CB 4.02Å; W395-I404 HydrophobicContact CB-CD1 4.34Å; W395-I404 PolarHBondContact O-N 3.01Å; W395-A430 HydrophobicContact CB-CB 4.29Å; W395-A430 HydrophobicContact CG-CB 4.27Å; W395-R434 PolarHBondContact NE1-O 2.75Å; W395-L436 HydrophobicContact CD2-CB 3.94Å; W395-L436 HydrophobicContact CE3-CB 3.92Å; W395-L436 HydrophobicContact CE3-CD2 3.92Å; W395-L436 HydrophobicContact CE3-CG 4.34Å; W395-L436 HydrophobicContact CH2-CB 3.8Å; W395-L436 HydrophobicContact CH2-CD2 4.34Å; W395-L436 HydrophobicContact CZ2-CB 3.81Å; W395-L436 HydrophobicContact CZ3-CB 3.85Å; W395-L436 HydrophobicContact CZ3-CD2 3.71Å; W395-L436 HydrophobicContact CZ3-CG 4.37Å; W395-M451 HydrophobicContact CD2-CB 3.86Å; W395-M451 HydrophobicContact CD2-CG 3.93Å; W395-M451 HydrophobicContact CE3-CB 3.9Å; W395-M451 HydrophobicContact CE3-CG 4.48Å; W395-M451 HydrophobicContact CG-CG 4.36Å; W395-M451 HydrophobicContact CH2-CB 3.88Å; W395-M451 HydrophobicContact CH2-CG 4.37Å; W395-M451 HydrophobicContact CH2-SD 4.27Å; W395-M451 HydrophobicContact CZ2-CB 3.82Å; W395-M451 HydrophobicContact CZ2-CG 3.8Å; W395-M451 HydrophobicContact CZ2-SD 3.46Å; W395-M451 WeakPolarHBondContact CZ2-SD 3.34Å; W395-M451 HydrophobicContact CZ3-CB 3.91Å; W395-F464 HydrophobicContact CH2-CD2 4.26Å; W395-F464 HydrophobicContact CH2-CE2 4.34Å; W395-F464 HydrophobicContact CZ3-CD2 4.36Å |
| 396 | H | 88.6 | Confident | 75 | Confident | 48 Ų | 48 | 69.9 Ų | 69.9 | 22% | 0.222 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 151.4 | 172.9 | -69.6 | -95.2 | 0 | 0 | 0 | 110.2 | Q402 Y449 E450 | H396-Q402 PolarHBondContact ND1-O 2.71Å; H396-Y449 CarbonylContact O-C 3.58Å; H396-Y449 WeakPolarHBondContact O-CA 3.09Å; H396-E450 PolarHBondContact N-O 3.4Å; H396-E450 PolarHBondContact O-N 2.79Å |
| 397 | K | 88.7 | Confident | 76 | Confident | 27 Ų | 27 | 67.8 Ų | 67.8 | 12% | 0.117 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 133.7 | 157.2 | -166.3 | -167.8 | -172.4 | 178.9 | 0 | 107.2 | E400 L444 Y449 | K397-E400 HydrophobicContact CB-CB 4.31Å; K397-E400 HydrophobicContact CD-CG 4.13Å; K397-E400 WeakPolarHBondContact CD-OE1 3.47Å; K397-E400 IonicContact NZ-OE1 2.64Å; K397-E400 PolarHBondContact NZ-OE1 3.39Å; K397-E400 PolarHBondContact O-N 2.84Å; K397-E400 VanDerWaalsContact O-O 3.14Å; K397-L444 PolarHBondContact NZ-O 3.12Å; K397-L444 VanDerWaalsContact NZ-O 3.16Å; K397-Y449 HydrophobicContact CB-CD1 3.89Å; K397-Y449 HydrophobicContact CB-CE1 3.76Å; K397-Y449 HydrophobicContact CD-CE1 4.11Å; K397-Y449 HydrophobicContact CG-CD1 3.97Å; K397-Y449 HydrophobicContact CG-CD2 4.43Å; K397-Y449 HydrophobicContact CG-CE1 3.62Å; K397-Y449 HydrophobicContact CG-CE2 4.1Å; K397-Y449 HydrophobicContact CG-CG 4.37Å |
| 398 | K | 73.7 | Confident | 76.5 | Confident | 82 Ų | 82 | 69.8 Ų | 69.8 | 36% | 0.357 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 149.4 | 170.4 | -61.7 | -159.6 | 175.7 | -139.8 | 0 | 108.6 | E400 S448 E450 V463 | K398-E400 PolarHBondContact O-N 3.21Å; K398-S448 WeakPolarHBondContact CB-O 3.24Å; K398-S448 PolarHBondContact N-O 2.87Å; K398-E450 WeakPolarHBondContact CE-OE2 3.11Å; K398-E450 IonicContact NZ-OE2 3.01Å; K398-E450 PolarHBondContact NZ-OE2 3.18Å; K398-V463 HydrophobicContact CD-CG1 4.35Å |
| 399 | D | 71.3 | Confident | 76.7 | Confident | 172 Ų | 172 | 71.1 Ų | 71.1 | 92% | 0.92 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | -3.2 | -169.6 | -43.7 | -36.6 | 0 | 0 | 0 | 115.3 | ||
| 400 | E | 77 | Confident | 76.4 | Confident | 95 Ų | 95 | 75.1 Ų | 75.1 | 44% | 0.444 | 40% | 0.397 | S | S | . | . | trans | -112.7 | 129.2 | 168.7 | -69 | 174.7 | -160.8 | 0 | 0 | 111.1 | K397 K398 Q402 | K397-E400 HydrophobicContact CB-CB 4.31Å; K397-E400 HydrophobicContact CD-CG 4.13Å; K397-E400 WeakPolarHBondContact CD-OE1 3.47Å; K397-E400 IonicContact NZ-OE1 2.64Å; K397-E400 PolarHBondContact NZ-OE1 3.39Å; K397-E400 PolarHBondContact O-N 2.84Å; K397-E400 VanDerWaalsContact O-O 3.14Å; K398-E400 PolarHBondContact O-N 3.21Å; E400-Q402 VanDerWaalsContact C-N 3.33Å; E400-Q402 PolarHBondContact O-N 3.25Å | ||
| 401 | H | 67.1 | Low | 75.9 | Confident | 199 Ų | 199 | 75.4 Ų | 75.4 | 92% | 0.921 | 40% | 0.402 | S | S | * | . | trans | -78.6 | -12.4 | -177.8 | -72.4 | -46.8 | 0 | 0 | 0 | 114.7 | ||||
| 402 | Q | 76.7 | Confident | 74.4 | Confident | 162 Ų | 162 | 80.1 Ų | 80.1 | 76% | 0.757 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -88.1 | 147.5 | -179.4 | -63.6 | -174.8 | 2.8 | 0 | 0 | 110.8 | H396 E400 | H396-Q402 PolarHBondContact ND1-O 2.71Å; E400-Q402 VanDerWaalsContact C-N 3.33Å; E400-Q402 PolarHBondContact O-N 3.25Å |
| 403 | S | 83.7 | Confident | 72.7 | Confident | 66 Ų | 66 | 78.2 Ų | 78.2 | 46% | 0.462 | 44% | 0.441 | S | S | . | . | B | Isolated β-bridge | trans | -75.7 | 138.5 | 166.4 | 53.9 | 0 | 0 | 0 | 0 | 109.7 | W395 | W395-S403 CarbonylContact O-C 3.6Å; W395-S403 WeakPolarHBondContact O-CA 3.15Å |
| 404 | I | 88.8 | Confident | 70.4 | Confident | 14 Ų | 14 | 80.6 Ų | 80.6 | 7% | 0.072 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -61 | 128.5 | 173.6 | -69.4 | 175.2 | 0 | 0 | 0 | 108.7 | W395 I428 Y429 A430 L436 Y449 | W395-I404 HydrophobicContact CB-CB 4.02Å; W395-I404 HydrophobicContact CB-CD1 4.34Å; W395-I404 PolarHBondContact O-N 3.01Å; I404-I428 HydrophobicContact CD1-CG2 3.99Å; I404-I428 HydrophobicContact CG1-CG2 4.25Å; I404-I428 HydrophobicContact CG2-CG2 3.99Å; I404-Y429 VanDerWaalsContact CG2-C 3.49Å; I404-A430 HydrophobicContact CG2-CB 4.29Å; I404-L436 HydrophobicContact CD1-CD1 3.72Å; I404-L436 HydrophobicContact CG2-CD1 4.3Å; I404-Y449 HydrophobicContact CD1-CD1 3.72Å; I404-Y449 HydrophobicContact CD1-CE1 3.94Å |
| 405 | P | 85.9 | Confident | 67.9 | Low | 64 Ų | 64 | 85.9 Ų | 85.9 | 42% | 0.416 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 139.5 | -171.5 | 26 | -35.2 | 0 | 0 | 0 | 111.6 | P426 Y429 A430 | P405-P426 HydrophobicContact CG-CB 4.34Å; P405-P426 HydrophobicContact CG-CG 4.23Å; P405-Y429 WeakPolarHBondContact O-CA 3.39Å; P405-Y429 WeakPolarHBondContact O-CB 3.47Å; P405-A430 PolarHBondContact O-N 3.43Å |
| 406 | T | 80.3 | Confident | 65.3 | Low | 53 Ų | 53 | 89.8 Ų | 89.8 | 33% | 0.325 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 140.3 | 174.4 | 50.9 | 0 | 0 | 0 | 0 | 111 | P410 A430 | T406-P410 WeakPolarHBondContact OG1-CD 3.4Å; T406-A430 WeakPolarHBondContact CA-O 3.46Å; T406-A430 HydrophobicContact CG2-CB 4.29Å |
| 407 | W | 74.2 | Confident | 62.9 | Low | 34 Ų | 34 | 91.9 Ų | 91.9 | 13% | 0.129 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 127.7 | 176.4 | -169.4 | -91.2 | 0 | 0 | 0 | 111.6 | L421 R425 P426 Y429 A430 L431 R432 | W407-L421 HydrophobicContact CH2-CD2 4.34Å; W407-L421 HydrophobicContact CZ2-CD2 3.62Å; W407-R425 HydrophobicContact CZ2-CG 3.79Å; W407-P426 HydrophobicContact CE3-CG 4.28Å; W407-Y429 HydrophobicContact CB-CD2 3.72Å; W407-Y429 HydrophobicContact CB-CE2 4.42Å; W407-Y429 HydrophobicContact CB-CG 4.21Å; W407-Y429 HydrophobicContact CG-CD2 4.43Å; W407-A430 PolarHBondContact N-O 3.38Å; W407-L431 WeakPolarHBondContact O-CA 3.4Å; W407-R432 PolarHBondContact O-N 2.92Å |
| 408 | P | 69.5 | Low | 60.8 | Low | 59 Ų | 59 | 99 Ų | 99 | 38% | 0.383 | 56% | 0.556 | S | S | . | * | S | Bend | cis | -62.4 | 156.6 | -8.8 | 29.4 | -36.2 | 0 | 0 | 0 | 111.9 | L421 | P408-L421 HydrophobicContact CB-CD1 4.3Å; P408-L421 HydrophobicContact CB-CD2 4.4Å |
| 409 | P | 63.6 | Low | 59.4 | Low | 78 Ų | 78 | 98.5 Ų | 98.5 | 51% | 0.506 | 56% | 0.564 | S | S | . | * | trans | -66.8 | 144.1 | 175.6 | 28.4 | -34.7 | 0 | 0 | 0 | 110.9 | S411 | P409-S411 PolarHBondContact O-N 2.79Å; P409-S411 VanDerWaalsContact O-N 3.08Å | ||
| 410 | P | 55 | Low | 58.1 | Low | 115 Ų | 115 | 98 Ų | 98 | 75% | 0.747 | 55% | 0.554 | S | S | * | * | trans | -69.4 | 108.1 | -178.7 | 27.7 | -34.2 | 0 | 0 | 0 | 110.7 | T406 | T406-P410 WeakPolarHBondContact OG1-CD 3.4Š| ||
| 411 | S | 48.8 | Very low | 56.9 | Low | 81 Ų | 81 | 97.2 Ų | 97.2 | 57% | 0.566 | 55% | 0.552 | S | S | * | * | trans | -84.5 | 137.4 | 171.3 | 45.6 | 0 | 0 | 0 | 0 | 110.1 | P409 | P409-S411 PolarHBondContact O-N 2.79Å; P409-S411 VanDerWaalsContact O-N 3.08Å | ||
| 412 | S | 37.9 | Very low | 56 | Low | 112 Ų | 112 | 94.9 Ų | 94.9 | 78% | 0.783 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -78 | 142.2 | 172.7 | 43.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 413 | S | 37.9 | Very low | 55.1 | Low | 107 Ų | 107 | 89.1 Ų | 89.1 | 75% | 0.748 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 68.2 | 141.4 | -173.1 | 76.8 | 0 | 0 | 0 | 0 | 115.8 | ||
| 414 | S | 32.7 | Very low | 54.2 | Low | 71 Ų | 71 | 91.9 Ų | 91.9 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -75.9 | 156.6 | -177.7 | 66.1 | 0 | 0 | 0 | 0 | 112.7 | K162 | K162-S414 PolarHBondContact NZ-OG 3.33Š|
| 415 | I | 34 | Very low | 53.2 | Low | 163 Ų | 163 | 99.4 Ų | 99.4 | 84% | 0.836 | 57% | 0.574 | S | S | * | * | trans | 84.5 | 83.3 | -176.1 | -47.8 | 161.3 | 0 | 0 | 0 | 111.7 | ||||
| 416 | V | 36.4 | Very low | 53 | Low | 83 Ų | 83 | 98.4 Ų | 98.4 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | trans | -116.3 | 118.2 | 160.7 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 417 | D | 37.7 | Very low | 53.4 | Low | 93 Ų | 93 | 100.7 Ų | 100.7 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | trans | -65.6 | 121.6 | 172.5 | 177.9 | -19.6 | 0 | 0 | 0 | 110 | S419 K420 | D417-S419 PolarHBondContact O-N 3.05Å; D417-S419 VanDerWaalsContact OD1-CB 3.26Å; D417-S419 WeakPolarHBondContact OD1-CB 3.46Å; D417-S419 PolarHBondContact OD1-N 2.68Å; D417-S419 PolarHBondContact OD1-OG 2.9Å; D417-S419 PolarHBondContact OD2-OG 2.67Å; D417-K420 PolarHBondContact O-N 3.48Å; D417-K420 VanDerWaalsContact O-N 3.09Å | ||
| 418 | E | 44.4 | Very low | 54.1 | Low | 175 Ų | 175 | 100.8 Ų | 100.8 | 82% | 0.818 | 57% | 0.572 | S | S | * | * | G | 310 helix | trans | -57.7 | -24.3 | -175.1 | -67.4 | -165.7 | 130.6 | 0 | 0 | 113.1 | K420 L421 | E418-K420 PolarHBondContact O-N 2.83Å; E418-L421 PolarHBondContact O-N 2.73Å; E418-L421 VanDerWaalsContact O-N 3.13Å |
| 419 | S | 44.2 | Very low | 55.1 | Low | 73 Ų | 73 | 98.7 Ų | 98.7 | 51% | 0.51 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -59.4 | -17.3 | 176.8 | 66.6 | 0 | 0 | 0 | 0 | 114.3 | D417 N422 | D417-S419 PolarHBondContact O-N 3.05Å; D417-S419 VanDerWaalsContact OD1-CB 3.26Å; D417-S419 WeakPolarHBondContact OD1-CB 3.46Å; D417-S419 PolarHBondContact OD1-N 2.68Å; D417-S419 PolarHBondContact OD1-OG 2.9Å; D417-S419 PolarHBondContact OD2-OG 2.67Å; S419-N422 PolarHBondContact O-ND2 2.84Å |
| 420 | K | 45 | Very low | 56.2 | Low | 162 Ų | 162 | 95 Ų | 95 | 70% | 0.704 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -90.7 | -4.1 | 179.9 | -67 | -178.4 | -179.6 | 173 | 0 | 114.7 | D417 E418 N422 | D417-K420 PolarHBondContact O-N 3.48Å; D417-K420 VanDerWaalsContact O-N 3.09Å; E418-K420 PolarHBondContact O-N 2.83Å; K420-N422 PolarHBondContact O-N 2.95Å |
| 421 | L | 51.7 | Low | 57.3 | Low | 78 Ų | 78 | 89.9 Ų | 89.9 | 41% | 0.408 | 50% | 0.5 | S | S | . | . | trans | -83.5 | 33.3 | -172.8 | -131.4 | 140.2 | 0 | 0 | 0 | 114.1 | W407 P408 E418 G423 | W407-L421 HydrophobicContact CH2-CD2 4.34Å; W407-L421 HydrophobicContact CZ2-CD2 3.62Å; P408-L421 HydrophobicContact CB-CD1 4.3Å; P408-L421 HydrophobicContact CB-CD2 4.4Å; E418-L421 PolarHBondContact O-N 2.73Å; E418-L421 VanDerWaalsContact O-N 3.13Å; L421-G423 PolarHBondContact O-N 2.73Å | ||
| 422 | N | 47.3 | Very low | 58.4 | Low | 150 Ų | 150 | 90.8 Ų | 90.8 | 80% | 0.802 | 49% | 0.49 | S | S | * | . | trans | -79.2 | 30.1 | -174.4 | -70.6 | -44.6 | 0 | 0 | 0 | 114.8 | S419 K420 | S419-N422 PolarHBondContact O-ND2 2.84Å; K420-N422 PolarHBondContact O-N 2.95Å | ||
| 423 | G | 59 | Low | 60.2 | Low | 40 Ų | 40 | 85.8 Ų | 85.8 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -86.7 | 143.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L421 R425 | L421-G423 PolarHBondContact O-N 2.73Å; G423-R425 PolarHBondContact O-N 2.88Å |
| 424 | P | 63.4 | Low | 62.1 | Low | 124 Ų | 124 | 82.7 Ų | 82.7 | 81% | 0.805 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 128.2 | 173.8 | 27.4 | -33.5 | 0 | 0 | 0 | 110.4 | ||
| 425 | R | 69.3 | Low | 64.6 | Low | 172 Ų | 172 | 79.4 Ų | 79.4 | 65% | 0.649 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 136.8 | 178 | -58.4 | -172.4 | -178.2 | -170.6 | -0.3 | 109.8 | W407 G423 | W407-R425 HydrophobicContact CZ2-CG 3.79Å; G423-R425 PolarHBondContact O-N 2.88Å |
| 426 | P | 81 | Confident | 67.4 | Low | 43 Ų | 43 | 71.8 Ų | 71.8 | 28% | 0.279 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 158.1 | 173.9 | -21.3 | 32.4 | 0 | 0 | 0 | 112.2 | P405 W407 I428 Y429 | P405-P426 HydrophobicContact CG-CB 4.34Å; P405-P426 HydrophobicContact CG-CG 4.23Å; W407-P426 HydrophobicContact CE3-CG 4.28Å; P426-I428 WeakPolarHBondContact CB-O 3.42Å; P426-Y429 HydrophobicContact CB-CD1 4.48Å; P426-Y429 WeakPolarHBondContact O-CD1 3.09Å; P426-Y429 WeakPolarHBondContact O-CE1 3.35Å |
| 427 | R | 88.8 | Confident | 69.9 | Low | 101 Ų | 101 | 68 Ų | 68 | 38% | 0.381 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -74.5 | -33.2 | 173.5 | -165.1 | -179.7 | 69.5 | 83.1 | 4.3 | 112.8 | I438 H439 S440 D445 | R427-I438 WeakPolarHBondContact O-CA 3.47Å; R427-H439 WeakPolarHBondContact CD-O 3.48Å; R427-H439 HydrophobicContact CG-CB 4.19Å; R427-H439 WeakPolarHBondContact CG-O 2.83Å; R427-H439 PolarHBondContact NH1-O 2.99Å; R427-H439 PolarHBondContact O-N 3.45Å; R427-S440 PolarHBondContact NH1-O 3.32Å; R427-D445 IonicContact CZ-OD1 2.77Å; R427-D445 IonicContact CZ-OD2 3.18Å; R427-D445 IonicContact NH1-OD1 2.72Å; R427-D445 PolarHBondContact NH1-OD1 3.36Å; R427-D445 IonicContact NH1-OD2 2.62Å; R427-D445 PolarHBondContact NH1-OD2 3.2Å; R427-D445 IonicContact NH2-OD1 3.8Å; R427-D445 PolarHBondContact NH2-OD1 3.43Å; R427-D445 IonicContact NH2-OD2 2.77Å; R427-D445 PolarHBondContact NH2-OD2 3.27Å |
| 428 | I | 89.5 | Confident | 72.4 | Confident | 36 Ų | 36 | 63.6 Ų | 63.6 | 19% | 0.185 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123 | 174.7 | -55.5 | 177.4 | 0 | 0 | 0 | 107.5 | I404 P426 L436 V437 I438 | I404-I428 HydrophobicContact CD1-CG2 3.99Å; I404-I428 HydrophobicContact CG1-CG2 4.25Å; I404-I428 HydrophobicContact CG2-CG2 3.99Å; P426-I428 WeakPolarHBondContact CB-O 3.42Å; I428-L436 HydrophobicContact CG2-CD1 4.33Å; I428-V437 WeakPolarHBondContact CA-O 3.42Å; I428-I438 HydrophobicContact CG1-CG1 4.24Å; I428-I438 HydrophobicContact CG1-CG2 4.11Å; I428-I438 HydrophobicContact CG2-CG1 4.21Å |
| 429 | Y | 90 | Very high | 74.4 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 161.1 | -178.5 | 57.7 | -82.1 | 0 | 0 | 0 | 113.2 | I404 P405 W407 P426 L431 V437 | I404-Y429 VanDerWaalsContact CG2-C 3.49Å; P405-Y429 WeakPolarHBondContact O-CA 3.39Å; P405-Y429 WeakPolarHBondContact O-CB 3.47Å; W407-Y429 HydrophobicContact CB-CD2 3.72Å; W407-Y429 HydrophobicContact CB-CE2 4.42Å; W407-Y429 HydrophobicContact CB-CG 4.21Å; W407-Y429 HydrophobicContact CG-CD2 4.43Å; P426-Y429 HydrophobicContact CB-CD1 4.48Å; P426-Y429 WeakPolarHBondContact O-CD1 3.09Å; P426-Y429 WeakPolarHBondContact O-CE1 3.35Å; Y429-L431 HydrophobicContact CD2-CB 4.27Å; Y429-L431 HydrophobicContact CE2-CB 4.14Å; Y429-L431 HydrophobicContact CE2-CD1 4.35Å; Y429-V437 HydrophobicContact CD1-CB 4.39Å; Y429-V437 HydrophobicContact CD2-CB 4.27Å; Y429-V437 HydrophobicContact CE1-CB 4.01Å; Y429-V437 HydrophobicContact CE1-CG1 3.89Å; Y429-V437 HydrophobicContact CE2-CB 3.89Å; Y429-V437 HydrophobicContact CE2-CG1 4.29Å; Y429-V437 HydrophobicContact CE2-CG2 4.05Å; Y429-V437 PolarHBondContact N-O 2.85Å; Y429-V437 PolarHBondContact O-N 2.87Å |
| 430 | A | 85.8 | Confident | 76.3 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 96.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | W395 I404 P405 T406 W407 R432 G433 H435 | W395-A430 HydrophobicContact CB-CB 4.29Å; W395-A430 HydrophobicContact CG-CB 4.27Å; I404-A430 HydrophobicContact CG2-CB 4.29Å; P405-A430 PolarHBondContact O-N 3.43Å; T406-A430 WeakPolarHBondContact CA-O 3.46Å; T406-A430 HydrophobicContact CG2-CB 4.29Å; W407-A430 PolarHBondContact N-O 3.38Å; A430-R432 PolarHBondContact O-N 3.14Å; A430-G433 PolarHBondContact O-N 2.91Å; A430-H435 CarbonylContact C-O 3.57Å; A430-H435 WeakPolarHBondContact CA-O 3.07Å |
| 431 | L | 79.4 | Confident | 78.2 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 119.4 | 178.8 | 178.6 | 67.2 | 0 | 0 | 0 | 110.2 | E101 W407 Y429 G433 R434 H435 V437 | E101-L431 WeakPolarHBondContact OE2-CD2 3.28Å; W407-L431 WeakPolarHBondContact O-CA 3.4Å; Y429-L431 HydrophobicContact CD2-CB 4.27Å; Y429-L431 HydrophobicContact CE2-CB 4.14Å; Y429-L431 HydrophobicContact CE2-CD1 4.35Å; L431-G433 PolarHBondContact O-N 3.32Å; L431-R434 PolarHBondContact O-N 2.89Å; L431-H435 HydrophobicContact CB-CB 4.26Å; L431-H435 PolarHBondContact N-O 2.8Å; L431-H435 PolarHBondContact O-CD2 2.95Å; L431-H435 PolarHBondContact O-N 2.8Å; L431-H435 VanDerWaalsContact O-N 3.11Å; L431-V437 HydrophobicContact CB-CG2 4.18Å |
| 432 | R | 71.4 | Confident | 79.9 | Confident | 99 Ų | 99 | 50 Ų | 50 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 25.3 | -169.6 | -58.2 | -173.2 | -175.3 | 75 | 13.1 | 113.9 | E101 W407 A430 R434 | E101-R432 IonicContact OE1-CZ 3.58Å; E101-R432 VanDerWaalsContact OE1-CZ 3.23Å; E101-R432 IonicContact OE1-NH1 3.26Å; E101-R432 PolarHBondContact OE1-NH1 2.99Å; E101-R432 IonicContact OE1-NH2 3.89Å; E101-R432 PolarHBondContact OE1-NH2 2.84Å; W407-R432 PolarHBondContact O-N 2.92Å; A430-R432 PolarHBondContact O-N 3.14Å; R432-R434 PolarHBondContact O-N 2.71Å; R432-R434 VanDerWaalsContact O-N 3.07Å |
| 433 | G | 75.5 | Confident | 81.4 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | -11.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116 | I393 A430 L431 | I393-G433 VanDerWaalsContact CG2-O 3.28Å; I393-G433 WeakPolarHBondContact CG2-O 3.28Å; A430-G433 PolarHBondContact O-N 2.91Å; L431-G433 PolarHBondContact O-N 3.32Å |
| 434 | R | 78.8 | Confident | 82.6 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 16% | 0.162 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -49.2 | -174.9 | -69.2 | 179.2 | 177.2 | -126.7 | -11.2 | 112.6 | E375 I393 W395 L431 R432 | E375-R434 IonicContact OE1-NH1 3.96Å; E375-R434 IonicContact OE1-NH2 2.8Å; E375-R434 IonicContact OE2-CZ 3.41Å; E375-R434 IonicContact OE2-NH1 2.96Å; E375-R434 PolarHBondContact OE2-NH1 2.63Å; E375-R434 IonicContact OE2-NH2 2.81Å; E375-R434 PolarHBondContact OE2-NH2 2.95Å; I393-R434 HydrophobicContact CD1-CG 4.08Å; W395-R434 PolarHBondContact NE1-O 2.75Å; L431-R434 PolarHBondContact O-N 2.89Å; R432-R434 PolarHBondContact O-N 2.71Å; R432-R434 VanDerWaalsContact O-N 3.07Å |
| 435 | H | 85.3 | Confident | 83.7 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.3 | -166.8 | -36.5 | -77.5 | 0 | 0 | 0 | 111.8 | R370 Y371 A430 L431 | R370-H435 HydrophobicContact CB-CB 4.13Å; R370-H435 HydrophobicContact CG-CB 4.06Å; Y371-H435 PolarHBondContact N-ND1 2.92Å; Y371-H435 PolarHBondContact O-CE1 3.41Å; Y371-H435 PolarHBondContact O-ND1 2.89Å; Y371-H435 VanDerWaalsContact O-ND1 3.14Å; A430-H435 CarbonylContact C-O 3.57Å; A430-H435 WeakPolarHBondContact CA-O 3.07Å; L431-H435 HydrophobicContact CB-CB 4.26Å; L431-H435 PolarHBondContact N-O 2.8Å; L431-H435 PolarHBondContact O-CD2 2.95Å; L431-H435 PolarHBondContact O-N 2.8Å; L431-H435 VanDerWaalsContact O-N 3.11Å |
| 436 | L | 91.2 | Very high | 84.5 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 127.5 | 175.4 | 175 | 64.7 | 0 | 0 | 0 | 110.3 | L369 W395 I404 I428 Y449 I466 | L369-L436 HydrophobicContact CB-CB 4.35Å; L369-L436 PolarHBondContact N-O 3.2Å; L369-L436 PolarHBondContact O-N 2.99Å; W395-L436 HydrophobicContact CD2-CB 3.94Å; W395-L436 HydrophobicContact CE3-CB 3.92Å; W395-L436 HydrophobicContact CE3-CD2 3.92Å; W395-L436 HydrophobicContact CE3-CG 4.34Å; W395-L436 HydrophobicContact CH2-CB 3.8Å; W395-L436 HydrophobicContact CH2-CD2 4.34Å; W395-L436 HydrophobicContact CZ2-CB 3.81Å; W395-L436 HydrophobicContact CZ3-CB 3.85Å; W395-L436 HydrophobicContact CZ3-CD2 3.71Å; W395-L436 HydrophobicContact CZ3-CG 4.37Å; I404-L436 HydrophobicContact CD1-CD1 3.72Å; I404-L436 HydrophobicContact CG2-CD1 4.3Å; I428-L436 HydrophobicContact CG2-CD1 4.33Å; L436-Y449 HydrophobicContact CD1-CD1 4.4Å; L436-Y449 HydrophobicContact CD2-CD1 3.67Å; L436-Y449 HydrophobicContact CD2-CE1 4.35Å; L436-Y449 HydrophobicContact CD2-CG 3.83Å; L436-I466 HydrophobicContact CD2-CD1 4.25Å |
| 437 | V | 89.5 | Confident | 84.7 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 129.9 | 176 | -174.3 | 0 | 0 | 0 | 0 | 110 | A367 I428 Y429 L431 | A367-V437 WeakPolarHBondContact O-CA 3.42Å; I428-V437 WeakPolarHBondContact CA-O 3.42Å; Y429-V437 HydrophobicContact CD1-CB 4.39Å; Y429-V437 HydrophobicContact CD2-CB 4.27Å; Y429-V437 HydrophobicContact CE1-CB 4.01Å; Y429-V437 HydrophobicContact CE1-CG1 3.89Å; Y429-V437 HydrophobicContact CE2-CB 3.89Å; Y429-V437 HydrophobicContact CE2-CG1 4.29Å; Y429-V437 HydrophobicContact CE2-CG2 4.05Å; Y429-V437 PolarHBondContact N-O 2.85Å; Y429-V437 PolarHBondContact O-N 2.87Å; L431-V437 HydrophobicContact CB-CG2 4.18Å |
| 438 | I | 91 | Very high | 84.7 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 112.1 | 169.3 | -53.7 | 174.9 | 0 | 0 | 0 | 107.6 | D366 A367 R427 I428 V441 D445 Y449 I466 | D366-I438 WeakPolarHBondContact CA-O 3.22Å; A367-I438 HydrophobicContact CB-CB 4Å; A367-I438 HydrophobicContact CB-CD1 4.28Å; A367-I438 HydrophobicContact CB-CG1 4.36Å; A367-I438 PolarHBondContact N-O 2.86Å; A367-I438 PolarHBondContact O-N 3.11Å; R427-I438 WeakPolarHBondContact O-CA 3.47Å; I428-I438 HydrophobicContact CG1-CG1 4.24Å; I428-I438 HydrophobicContact CG1-CG2 4.11Å; I428-I438 HydrophobicContact CG2-CG1 4.21Å; I438-V441 HydrophobicContact CB-CG2 4.21Å; I438-V441 HydrophobicContact CG2-CG2 3.83Å; I438-D445 HydrophobicContact CD1-CB 4.42Å; I438-D445 HydrophobicContact CG2-CB 4.36Å; I438-Y449 HydrophobicContact CD1-CE1 4.12Å; I438-Y449 HydrophobicContact CD1-CE2 4.37Å; I438-I466 HydrophobicContact CD1-CD1 3.84Å |
| 439 | H | 85 | Confident | 84.8 | Confident | 94 Ų | 94 | 37 Ų | 37 | 44% | 0.435 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -81.1 | 135 | 175.6 | -123.6 | 12.2 | 0 | 0 | 0 | 110.3 | D366 R427 | D366-H439 VanDerWaalsContact OD1-CA 3.28Å; D366-H439 WeakPolarHBondContact OD1-CA 3.12Å; D366-H439 IonicContact OD1-CE1 3.35Å; D366-H439 IonicContact OD1-CG 3.43Å; D366-H439 IonicContact OD1-ND1 2.6Å; D366-H439 PolarHBondContact OD1-ND1 2.8Å; D366-H439 IonicContact OD2-CE1 3.66Å; D366-H439 PolarHBondContact OD2-CE1 2.88Å; D366-H439 IonicContact OD2-ND1 2.67Å; D366-H439 PolarHBondContact OD2-ND1 2.96Å; R427-H439 WeakPolarHBondContact CD-O 3.48Å; R427-H439 HydrophobicContact CG-CB 4.19Å; R427-H439 WeakPolarHBondContact CG-O 2.83Å; R427-H439 PolarHBondContact NH1-O 2.99Å; R427-H439 PolarHBondContact O-N 3.45Å |
| 440 | S | 84.8 | Confident | 84.9 | Confident | 62 Ų | 62 | 37.5 Ų | 37.5 | 43% | 0.434 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 48.2 | 77.5 | 177.8 | -60.7 | 0 | 0 | 0 | 0 | 113 | D366 R427 | D366-S440 PolarHBondContact OD1-N 3.11Å; R427-S440 PolarHBondContact NH1-O 3.32Å |
| 441 | V | 85.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -63.1 | 134.1 | -175.5 | 169.2 | 0 | 0 | 0 | 0 | 112.1 | V361 I363 N364 E365 A367 I438 D445 V468 | V361-V441 HydrophobicContact CG1-CB 4.21Å; V361-V441 HydrophobicContact CG1-CG1 4.42Å; V361-V441 HydrophobicContact CG1-CG2 3.99Å; I363-V441 WeakPolarHBondContact CA-O 3.41Å; N364-V441 PolarHBondContact N-O 2.7Å; E365-V441 VanDerWaalsContact O-CB 3.23Å; E365-V441 WeakPolarHBondContact O-CB 3.44Å; E365-V441 VanDerWaalsContact O-CG2 3.24Å; E365-V441 WeakPolarHBondContact O-CG2 3.39Å; E365-V441 PolarHBondContact O-N 2.96Å; A367-V441 HydrophobicContact CB-CG2 3.82Å; I438-V441 HydrophobicContact CB-CG2 4.21Å; I438-V441 HydrophobicContact CG2-CG2 3.83Å; V441-D445 HydrophobicContact CG1-CB 4.27Å; V441-V468 HydrophobicContact CG1-CB 4.34Å; V441-V468 HydrophobicContact CG1-CG1 3.96Å; V441-V468 HydrophobicContact CG1-CG2 3.41Å; V441-V468 VanDerWaalsContact CG1-CG2 3.41Å | ||
| 442 | T | 85.7 | Confident | 85.5 | Confident | 48 Ų | 48 | 37.9 Ų | 37.9 | 29% | 0.294 | 20% | 0.204 | S | C | . | . | trans | -116.1 | 164.3 | 176.5 | 67.9 | 0 | 0 | 0 | 0 | 110.2 | L444 D445 | T442-L444 PolarHBondContact O-N 2.81Å; T442-L444 VanDerWaalsContact O-N 3.09Å; T442-D445 PolarHBondContact N-OD2 3.3Å; T442-D445 WeakPolarHBondContact O-CB 3.11Å; T442-D445 PolarHBondContact O-N 3.03Å; T442-D445 PolarHBondContact OG1-OD2 3.04Å | ||
| 443 | E | 80.5 | Confident | 86 | Confident | 134 Ų | 134 | 33.2 Ų | 33.2 | 63% | 0.626 | 19% | 0.186 | S | C | * | . | G | 310 helix | trans | -58.9 | -24.7 | 177.5 | -60.6 | -176.3 | 159.5 | 0 | 0 | 113.1 | I363 D445 S446 | I363-E443 HydrophobicContact CD1-CG 3.82Å; I363-E443 WeakPolarHBondContact CD1-OE1 3.45Å; I363-E443 HydrophobicContact CG1-CG 4.3Å; E443-D445 VanDerWaalsContact C-N 3.27Å; E443-D445 PolarHBondContact O-N 3.23Å; E443-S446 WeakPolarHBondContact O-CB 3.37Å; E443-S446 PolarHBondContact O-N 3.31Å |
| 444 | L | 83.3 | Confident | 86.2 | Confident | 146 Ų | 146 | 35 Ų | 35 | 76% | 0.764 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -73.7 | -12.6 | 176.8 | -59.9 | 173.9 | 0 | 0 | 0 | 114.3 | K397 T442 | K397-L444 PolarHBondContact NZ-O 3.12Å; K397-L444 VanDerWaalsContact NZ-O 3.16Å; T442-L444 PolarHBondContact O-N 2.81Å; T442-L444 VanDerWaalsContact O-N 3.09Å |
| 445 | D | 87.7 | Confident | 85.9 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.011 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -86.7 | -11.4 | 177.4 | -61.1 | -56.3 | 0 | 0 | 0 | 112.8 | R427 I438 V441 T442 E443 Y449 | R427-D445 IonicContact CZ-OD1 2.77Å; R427-D445 IonicContact CZ-OD2 3.18Å; R427-D445 IonicContact NH1-OD1 2.72Å; R427-D445 PolarHBondContact NH1-OD1 3.36Å; R427-D445 IonicContact NH1-OD2 2.62Å; R427-D445 PolarHBondContact NH1-OD2 3.2Å; R427-D445 IonicContact NH2-OD1 3.8Å; R427-D445 PolarHBondContact NH2-OD1 3.43Å; R427-D445 IonicContact NH2-OD2 2.77Å; R427-D445 PolarHBondContact NH2-OD2 3.27Å; I438-D445 HydrophobicContact CD1-CB 4.42Å; I438-D445 HydrophobicContact CG2-CB 4.36Å; V441-D445 HydrophobicContact CG1-CB 4.27Å; T442-D445 PolarHBondContact N-OD2 3.3Å; T442-D445 WeakPolarHBondContact O-CB 3.11Å; T442-D445 PolarHBondContact O-N 3.03Å; T442-D445 PolarHBondContact OG1-OD2 3.04Å; E443-D445 VanDerWaalsContact C-N 3.27Å; E443-D445 PolarHBondContact O-N 3.23Å; D445-Y449 WeakPolarHBondContact O-CE2 3.44Å; D445-Y449 PolarHBondContact O-OH 2.75Å |
| 446 | S | 85.4 | Confident | 85.5 | Confident | 48 Ų | 48 | 37.4 Ų | 37.4 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | trans | -62.3 | 131 | 173.4 | -163.1 | 0 | 0 | 0 | 0 | 110.3 | E443 I466 | E443-S446 WeakPolarHBondContact O-CB 3.37Å; E443-S446 PolarHBondContact O-N 3.31Å; S446-I466 WeakPolarHBondContact CA-O 3.15Å; S446-I466 PolarHBondContact OG-O 3.27Å | ||
| 447 | G | 85.7 | Confident | 84.7 | Confident | 26 Ų | 26 | 38.8 Ų | 38.8 | 27% | 0.268 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.8 | 179.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I466 | G447-I466 PolarHBondContact N-O 3.4Å; G447-I466 PolarHBondContact O-N 2.6Å |
| 448 | S | 88.5 | Confident | 84.2 | Confident | 37 Ų | 37 | 40.2 Ų | 40.2 | 26% | 0.259 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 132.4 | 178.5 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | K398 F464 D465 | K398-S448 WeakPolarHBondContact CB-O 3.24Å; K398-S448 PolarHBondContact N-O 2.87Å; S448-F464 CarbonylContact C-O 2.74Å; S448-F464 VanDerWaalsContact CA-O 3.27Å; S448-F464 WeakPolarHBondContact CA-O 3.46Å; S448-D465 WeakPolarHBondContact CB-OD1 3.32Å; S448-D465 PolarHBondContact OG-OD1 3.39Å |
| 449 | Y | 91.6 | Very high | 84 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.4 | 176.7 | -66.4 | -104.5 | 0 | 0 | 0 | 109.5 | H396 K397 I404 L436 I438 D445 V463 F464 I466 | H396-Y449 CarbonylContact O-C 3.58Å; H396-Y449 WeakPolarHBondContact O-CA 3.09Å; K397-Y449 HydrophobicContact CB-CD1 3.89Å; K397-Y449 HydrophobicContact CB-CE1 3.76Å; K397-Y449 HydrophobicContact CD-CE1 4.11Å; K397-Y449 HydrophobicContact CG-CD1 3.97Å; K397-Y449 HydrophobicContact CG-CD2 4.43Å; K397-Y449 HydrophobicContact CG-CE1 3.62Å; K397-Y449 HydrophobicContact CG-CE2 4.1Å; K397-Y449 HydrophobicContact CG-CG 4.37Å; I404-Y449 HydrophobicContact CD1-CD1 3.72Å; I404-Y449 HydrophobicContact CD1-CE1 3.94Å; L436-Y449 HydrophobicContact CD1-CD1 4.4Å; L436-Y449 HydrophobicContact CD2-CD1 3.67Å; L436-Y449 HydrophobicContact CD2-CE1 4.35Å; L436-Y449 HydrophobicContact CD2-CG 3.83Å; I438-Y449 HydrophobicContact CD1-CE1 4.12Å; I438-Y449 HydrophobicContact CD1-CE2 4.37Å; D445-Y449 WeakPolarHBondContact O-CE2 3.44Å; D445-Y449 PolarHBondContact O-OH 2.75Å; Y449-V463 CarbonylContact O-C 3.55Å; Y449-V463 WeakPolarHBondContact O-CA 3.46Å; Y449-F464 PolarHBondContact N-O 3.25Å; Y449-F464 PolarHBondContact O-N 2.7Å; Y449-I466 HydrophobicContact CD2-CB 4.37Å; Y449-I466 HydrophobicContact CD2-CD1 3.65Å; Y449-I466 HydrophobicContact CD2-CG1 3.82Å; Y449-I466 HydrophobicContact CE2-CB 4.16Å; Y449-I466 HydrophobicContact CE2-CD1 3.66Å; Y449-I466 HydrophobicContact CE2-CG1 3.99Å; Y449-I466 HydrophobicContact CG-CD1 4.33Å |
| 450 | E | 90.8 | Very high | 83.8 | Confident | 26 Ų | 26 | 43.1 Ų | 43.1 | 12% | 0.121 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.7 | 179.1 | -175.4 | 170.4 | 157.4 | 0 | 0 | 110.9 | H396 K398 I452 R459 S461 I462 V463 | H396-E450 PolarHBondContact N-O 3.4Å; H396-E450 PolarHBondContact O-N 2.79Å; K398-E450 WeakPolarHBondContact CE-OE2 3.11Å; K398-E450 IonicContact NZ-OE2 3.01Å; K398-E450 PolarHBondContact NZ-OE2 3.18Å; E450-I452 HydrophobicContact CG-CG1 4.07Å; E450-R459 IonicContact OE1-NH2 2.7Å; E450-S461 WeakPolarHBondContact OE1-CB 3.32Å; E450-S461 PolarHBondContact OE1-OG 3.46Å; E450-I462 WeakPolarHBondContact CA-O 3.37Å; E450-V463 HydrophobicContact CB-CG2 4.18Å; E450-V463 HydrophobicContact CG-CG2 4.01Å |
| 451 | M | 90.2 | Very high | 84 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 130 | 167.8 | -168.6 | -177.1 | 89.4 | 0 | 0 | 108.9 | P344 F349 Y371 I393 W395 L453 S461 I462 | P344-M451 HydrophobicContact CB-CE 4.33Å; F349-M451 HydrophobicContact CE1-CE 4.42Å; F349-M451 HydrophobicContact CE1-SD 4Å; F349-M451 HydrophobicContact CZ-CE 3.7Å; F349-M451 HydrophobicContact CZ-SD 3.86Å; Y371-M451 HydrophobicContact CD1-CE 3.57Å; Y371-M451 HydrophobicContact CD1-SD 3.97Å; Y371-M451 HydrophobicContact CD2-CE 3.86Å; Y371-M451 HydrophobicContact CE1-CE 3.67Å; Y371-M451 HydrophobicContact CE2-CE 3.94Å; Y371-M451 HydrophobicContact CG-CE 3.67Å; Y371-M451 HydrophobicContact CG-SD 3.91Å; I393-M451 HydrophobicContact CG2-CE 4.43Å; I393-M451 HydrophobicContact CG2-CG 3.65Å; I393-M451 HydrophobicContact CG2-SD 3.91Å; W395-M451 HydrophobicContact CD2-CB 3.86Å; W395-M451 HydrophobicContact CD2-CG 3.93Å; W395-M451 HydrophobicContact CE3-CB 3.9Å; W395-M451 HydrophobicContact CE3-CG 4.48Å; W395-M451 HydrophobicContact CG-CG 4.36Å; W395-M451 HydrophobicContact CH2-CB 3.88Å; W395-M451 HydrophobicContact CH2-CG 4.37Å; W395-M451 HydrophobicContact CH2-SD 4.27Å; W395-M451 HydrophobicContact CZ2-CB 3.82Å; W395-M451 HydrophobicContact CZ2-CG 3.8Å; W395-M451 HydrophobicContact CZ2-SD 3.46Å; W395-M451 WeakPolarHBondContact CZ2-SD 3.34Å; W395-M451 HydrophobicContact CZ3-CB 3.91Å; M451-L453 HydrophobicContact CE-CD1 3.58Å; M451-L453 HydrophobicContact CE-CD2 4.37Å; M451-L453 HydrophobicContact CE-CG 4.13Å; M451-S461 CarbonylContact O-C 3.54Å; M451-S461 WeakPolarHBondContact O-CA 3.18Å; M451-S461 WeakPolarHBondContact O-CB 3.43Å; M451-I462 HydrophobicContact CB-CG2 4.01Å; M451-I462 HydrophobicContact CE-CG2 4.24Å; M451-I462 PolarHBondContact N-O 2.87Å; M451-I462 PolarHBondContact O-N 2.59Å |
| 452 | I | 87.5 | Confident | 84.1 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.9 | -177.8 | -56.6 | 169.2 | 0 | 0 | 0 | 108.8 | I393 I394 E450 T454 R459 A460 | I393-I452 CarbonylContact C-O 3.58Å; I393-I452 VanDerWaalsContact CA-O 3.29Å; I393-I452 WeakPolarHBondContact CA-O 3.15Å; I394-I452 PolarHBondContact N-O 3.33Å; I394-I452 PolarHBondContact O-N 3.3Å; E450-I452 HydrophobicContact CG-CG1 4.07Å; I452-T454 HydrophobicContact CG2-CG2 4.17Å; I452-R459 HydrophobicContact CG2-CG 3.83Å; I452-A460 WeakPolarHBondContact CA-O 3.42Å |
| 453 | L | 82.3 | Confident | 84.3 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 139.6 | 171.9 | -56 | 87.8 | 0 | 0 | 0 | 109.2 | L341 P344 Y371 P391 K392 I393 M451 R459 A460 | L341-L453 HydrophobicContact CD1-CB 4.36Å; P344-L453 HydrophobicContact CB-CD1 4.25Å; P344-L453 HydrophobicContact CG-CD1 3.55Å; Y371-L453 HydrophobicContact CE1-CD2 4.17Å; P391-L453 HydrophobicContact CB-CB 4.09Å; P391-L453 HydrophobicContact CG-CB 4.39Å; P391-L453 HydrophobicContact CG-CD2 3.96Å; K392-L453 CarbonylContact O-C 3.54Å; K392-L453 WeakPolarHBondContact O-CA 3.25Å; I393-L453 HydrophobicContact CG1-CD2 4.36Å; I393-L453 HydrophobicContact CG1-CG 4.22Å; M451-L453 HydrophobicContact CE-CD1 3.58Å; M451-L453 HydrophobicContact CE-CD2 4.37Å; M451-L453 HydrophobicContact CE-CG 4.13Å; L453-R459 VanDerWaalsContact O-CA 3.31Å; L453-R459 WeakPolarHBondContact O-CA 3.31Å; L453-A460 PolarHBondContact N-O 3.38Å; L453-A460 PolarHBondContact O-N 3.06Å |
| 454 | T | 81 | Confident | 84.7 | Confident | 45 Ų | 45 | 37.1 Ų | 37.1 | 28% | 0.276 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 132.5 | -178.6 | 44.7 | 0 | 0 | 0 | 0 | 112.5 | P391 K392 I452 G458 R459 | P391-T454 CarbonylContact C-O 3.57Å; P391-T454 VanDerWaalsContact CA-O 3.29Å; P391-T454 WeakPolarHBondContact CA-O 2.79Å; K392-T454 PolarHBondContact N-O 3.05Å; K392-T454 PolarHBondContact O-N 3.16Å; K392-T454 PolarHBondContact O-OG1 2.98Å; K392-T454 VanDerWaalsContact O-OG1 3.04Å; I452-T454 HydrophobicContact CG2-CG2 4.17Å; T454-G458 WeakPolarHBondContact CA-O 3.21Å; T454-R459 HydrophobicContact CG2-CB 4.01Å; T454-R459 HydrophobicContact CG2-CG 3.91Å |
| 455 | N | 72.2 | Confident | 84.8 | Confident | 28 Ų | 28 | 32.9 Ų | 32.9 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | -169.4 | 169.8 | 75.2 | -4.7 | 0 | 0 | 0 | 110.8 | A340 P389 P391 A457 G458 | A340-N455 PolarHBondContact O-ND2 3.47Å; P389-N455 HydrophobicContact CG-CB 4.45Å; P389-N455 PolarHBondContact O-ND2 3.07Å; P391-N455 HydrophobicContact CB-CB 4.2Å; N455-A457 PolarHBondContact O-N 2.94Å; N455-A457 WeakPolarHBondContact OD1-CA 3Å; N455-A457 WeakPolarHBondContact OD1-CB 2.93Å; N455-A457 PolarHBondContact OD1-N 3.19Å; N455-G458 PolarHBondContact N-O 2.93Å; N455-G458 PolarHBondContact O-N 3.47Å; N455-G458 VanDerWaalsContact O-N 3.1Å; N455-G458 PolarHBondContact OD1-N 3.36Å |
| 456 | T | 76.3 | Confident | 84.8 | Confident | 67 Ų | 67 | 32.8 Ų | 32.8 | 41% | 0.411 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.1 | 179.8 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | M249 A339 P389 | M249-T456 WeakPolarHBondContact CE-O 3.36Å; M249-T456 WeakPolarHBondContact CG-O 3.38Å; A339-T456 WeakPolarHBondContact CB-OG1 3.5Å; P389-T456 WeakPolarHBondContact CD-OG1 3.07Å; P389-T456 HydrophobicContact CG-CG2 4.46Å |
| 457 | A | 73.6 | Confident | 84.7 | Confident | 30 Ų | 30 | 34.2 Ų | 34.2 | 25% | 0.248 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -12.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | M249 A339 L341 N455 | M249-A457 HydrophobicContact CG-CB 4.41Å; A339-A457 HydrophobicContact CB-CB 3.95Å; L341-A457 HydrophobicContact CB-CB 4.08Å; N455-A457 PolarHBondContact O-N 2.94Å; N455-A457 WeakPolarHBondContact OD1-CA 3Å; N455-A457 WeakPolarHBondContact OD1-CB 2.93Å; N455-A457 PolarHBondContact OD1-N 3.19Å |
| 458 | G | 80.8 | Confident | 84.4 | Confident | 34 Ų | 34 | 34.5 Ų | 34.5 | 35% | 0.351 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.7 | -140.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T454 N455 | T454-G458 WeakPolarHBondContact CA-O 3.21Å; N455-G458 PolarHBondContact N-O 2.93Å; N455-G458 PolarHBondContact O-N 3.47Å; N455-G458 VanDerWaalsContact O-N 3.1Å; N455-G458 PolarHBondContact OD1-N 3.36Å |
| 459 | R | 84.9 | Confident | 83.2 | Confident | 151 Ų | 151 | 37.1 Ų | 37.1 | 57% | 0.57 | 21% | 0.209 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135.9 | -177 | 178.3 | 177.3 | 164.4 | -177.2 | -4 | 111 | E450 I452 L453 T454 | E450-R459 IonicContact OE1-NH2 2.7Å; I452-R459 HydrophobicContact CG2-CG 3.83Å; L453-R459 VanDerWaalsContact O-CA 3.31Å; L453-R459 WeakPolarHBondContact O-CA 3.31Å; T454-R459 HydrophobicContact CG2-CB 4.01Å; T454-R459 HydrophobicContact CG2-CG 3.91Å |
| 460 | A | 82.6 | Confident | 81.2 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.033 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 156.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | L341 Y343 I452 L453 | L341-A460 HydrophobicContact CD2-CB 4.01Å; L341-A460 HydrophobicContact CG-CB 4.41Å; Y343-A460 HydrophobicContact CD1-CB 3.66Å; Y343-A460 HydrophobicContact CE1-CB 3.9Å; Y343-A460 HydrophobicContact CG-CB 4.36Å; I452-A460 WeakPolarHBondContact CA-O 3.42Å; L453-A460 PolarHBondContact N-O 3.38Å; L453-A460 PolarHBondContact O-N 3.06Å |
| 461 | S | 88 | Confident | 78.7 | Confident | 57 Ų | 57 | 49.1 Ų | 49.1 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 161.5 | 169.6 | 66.9 | 0 | 0 | 0 | 0 | 113.4 | E450 M451 | E450-S461 WeakPolarHBondContact OE1-CB 3.32Å; E450-S461 PolarHBondContact OE1-OG 3.46Å; M451-S461 CarbonylContact O-C 3.54Å; M451-S461 WeakPolarHBondContact O-CA 3.18Å; M451-S461 WeakPolarHBondContact O-CB 3.43Å |
| 462 | I | 88.2 | Confident | 76.3 | Confident | 18 Ų | 18 | 56.9 Ų | 56.9 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 143.1 | -179 | -177.1 | 165.6 | 0 | 0 | 0 | 110.2 | P344 R346 F349 E450 M451 F464 | P344-I462 HydrophobicContact CB-CB 4.44Å; P344-I462 HydrophobicContact CB-CD1 4.49Å; P344-I462 HydrophobicContact CB-CG2 3.97Å; P344-I462 HydrophobicContact CG-CB 3.89Å; P344-I462 HydrophobicContact CG-CG2 3.63Å; R346-I462 HydrophobicContact CG-CD1 3.88Å; F349-I462 HydrophobicContact CE2-CD1 3.94Å; F349-I462 HydrophobicContact CE2-CG2 4.17Å; F349-I462 HydrophobicContact CZ-CG2 3.79Å; E450-I462 WeakPolarHBondContact CA-O 3.37Å; M451-I462 HydrophobicContact CB-CG2 4.01Å; M451-I462 HydrophobicContact CE-CG2 4.24Å; M451-I462 PolarHBondContact N-O 2.87Å; M451-I462 PolarHBondContact O-N 2.59Å; I462-F464 HydrophobicContact CB-CE2 4.41Å; I462-F464 HydrophobicContact CD1-CE2 4.13Å; I462-F464 HydrophobicContact CD1-CZ 3.74Å; I462-F464 HydrophobicContact CG1-CE2 3.82Å; I462-F464 HydrophobicContact CG1-CZ 3.91Å; I462-F464 HydrophobicContact CG2-CE2 3.88Å; I462-F464 HydrophobicContact CG2-CZ 4.49Å |
| 463 | V | 88.7 | Confident | 74.4 | Confident | 43 Ų | 43 | 63 Ų | 63 | 26% | 0.261 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.5 | -172.7 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | R346 K398 Y449 E450 | R346-V463 PolarHBondContact NH2-O 3.1Å; K398-V463 HydrophobicContact CD-CG1 4.35Å; Y449-V463 CarbonylContact O-C 3.55Å; Y449-V463 WeakPolarHBondContact O-CA 3.46Å; E450-V463 HydrophobicContact CB-CG2 4.18Å; E450-V463 HydrophobicContact CG-CG2 4.01Å |
| 464 | F | 88.5 | Confident | 72.7 | Confident | 1 Ų | 1 | 69.6 Ų | 69.6 | 0% | 0.004 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 140.4 | 179.8 | -63.4 | -86 | 0 | 0 | 0 | 110.9 | R346 F349 L353 L369 W395 S448 Y449 I462 | R346-F464 HydrophobicContact CG-CE1 3.93Å; R346-F464 HydrophobicContact CG-CZ 4.38Å; F349-F464 HydrophobicContact CB-CZ 4.39Å; F349-F464 HydrophobicContact CD1-CE1 4.32Å; F349-F464 AromaticContact CD1-CE2 3.9Å; F349-F464 HydrophobicContact CD1-CE2 3.9Å; F349-F464 AromaticContact CD1-CZ 3.54Å; F349-F464 HydrophobicContact CD1-CZ 3.54Å; F349-F464 HydrophobicContact CD2-CE1 4.44Å; F349-F464 HydrophobicContact CD2-CE2 4.45Å; F349-F464 AromaticContact CD2-CZ 3.62Å; F349-F464 HydrophobicContact CD2-CZ 3.62Å; F349-F464 AromaticContact CE1-CE2 3.46Å; F349-F464 HydrophobicContact CE1-CE2 3.46Å; F349-F464 VanDerWaalsContact CE1-CE2 3.46Å; F349-F464 AromaticContact CE1-CZ 3.53Å; F349-F464 HydrophobicContact CE1-CZ 3.53Å; F349-F464 HydrophobicContact CE2-CE2 4.08Å; F349-F464 AromaticContact CE2-CZ 3.63Å; F349-F464 HydrophobicContact CE2-CZ 3.63Å; F349-F464 HydrophobicContact CG-CE1 4.2Å; F349-F464 HydrophobicContact CG-CE2 4.37Å; F349-F464 AromaticContact CG-CZ 3.58Å; F349-F464 HydrophobicContact CG-CZ 3.58Å; F349-F464 AromaticContact CZ-CE2 3.57Å; F349-F464 HydrophobicContact CZ-CE2 3.57Å; F349-F464 AromaticContact CZ-CZ 3.58Å; F349-F464 HydrophobicContact CZ-CZ 3.58Å; L353-F464 HydrophobicContact CD1-CD1 3.72Å; L353-F464 HydrophobicContact CD1-CE1 4.1Å; L369-F464 HydrophobicContact CD1-CD1 4.35Å; L369-F464 HydrophobicContact CD1-CE1 4.33Å; L369-F464 HydrophobicContact CD2-CB 3.83Å; L369-F464 HydrophobicContact CD2-CD1 3.93Å; L369-F464 HydrophobicContact CD2-CD2 3.68Å; L369-F464 HydrophobicContact CD2-CE1 4.4Å; L369-F464 HydrophobicContact CD2-CE2 4.18Å; L369-F464 HydrophobicContact CD2-CG 3.54Å; W395-F464 HydrophobicContact CH2-CD2 4.26Å; W395-F464 HydrophobicContact CH2-CE2 4.34Å; W395-F464 HydrophobicContact CZ3-CD2 4.36Å; S448-F464 CarbonylContact C-O 2.74Å; S448-F464 VanDerWaalsContact CA-O 3.27Å; S448-F464 WeakPolarHBondContact CA-O 3.46Å; Y449-F464 PolarHBondContact N-O 3.25Å; Y449-F464 PolarHBondContact O-N 2.7Å; I462-F464 HydrophobicContact CB-CE2 4.41Å; I462-F464 HydrophobicContact CD1-CE2 4.13Å; I462-F464 HydrophobicContact CD1-CZ 3.74Å; I462-F464 HydrophobicContact CG1-CE2 3.82Å; I462-F464 HydrophobicContact CG1-CZ 3.91Å; I462-F464 HydrophobicContact CG2-CE2 3.88Å; I462-F464 HydrophobicContact CG2-CZ 4.49Å |
| 465 | D | 87 | Confident | 71 | Confident | 56 Ų | 56 | 75.6 Ų | 75.6 | 30% | 0.299 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 117.1 | -180 | -47 | -70.5 | 0 | 0 | 0 | 108.1 | R346 P358 F359 S448 | R346-D465 IonicContact NH2-OD2 2.67Å; P358-D465 CarbonylContact C-O 3.58Å; P358-D465 VanDerWaalsContact CA-O 3.24Å; P358-D465 WeakPolarHBondContact CA-O 3.31Å; P358-D465 HydrophobicContact CB-CB 4.31Å; P358-D465 WeakPolarHBondContact CB-O 3.26Å; F359-D465 PolarHBondContact N-O 2.81Å; S448-D465 WeakPolarHBondContact CB-OD1 3.32Å; S448-D465 PolarHBondContact OG-OD1 3.39Å |
| 466 | I | 87.5 | Confident | 69.8 | Low | 1 Ų | 1 | 78.2 Ų | 78.2 | 1% | 0.005 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 129.8 | 176.7 | -55.9 | -174.5 | 0 | 0 | 0 | 108 | F359 A367 L436 I438 S446 G447 Y449 | F359-I466 HydrophobicContact CB-CG1 4.43Å; F359-I466 HydrophobicContact CD1-CD1 4.45Å; F359-I466 HydrophobicContact CD1-CG1 4.37Å; F359-I466 WeakPolarHBondContact O-CA 3.22Å; A367-I466 HydrophobicContact CB-CD1 4.45Å; L436-I466 HydrophobicContact CD2-CD1 4.25Å; I438-I466 HydrophobicContact CD1-CD1 3.84Å; S446-I466 WeakPolarHBondContact CA-O 3.15Å; S446-I466 PolarHBondContact OG-O 3.27Å; G447-I466 PolarHBondContact N-O 3.4Å; G447-I466 PolarHBondContact O-N 2.6Å; Y449-I466 HydrophobicContact CD2-CB 4.37Å; Y449-I466 HydrophobicContact CD2-CD1 3.65Å; Y449-I466 HydrophobicContact CD2-CG1 3.82Å; Y449-I466 HydrophobicContact CE2-CB 4.16Å; Y449-I466 HydrophobicContact CE2-CD1 3.66Å; Y449-I466 HydrophobicContact CE2-CG1 3.99Å; Y449-I466 HydrophobicContact CG-CD1 4.33Å |
| 467 | L | 82.2 | Confident | 68.6 | Low | 78 Ų | 78 | 83.9 Ų | 83.9 | 41% | 0.408 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133.6 | 179 | -66.4 | -178.4 | 0 | 0 | 0 | 110.8 | P358 F359 I360 V361 | P358-L467 HydrophobicContact CB-CD1 3.64Å; P358-L467 HydrophobicContact CB-CG 3.85Å; P358-L467 HydrophobicContact CG-CD1 3.59Å; P358-L467 HydrophobicContact CG-CG 4.34Å; F359-L467 PolarHBondContact O-N 3.44Å; I360-L467 WeakPolarHBondContact CA-O 3.44Å; V361-L467 PolarHBondContact N-O 2.9Å |
| 468 | V | 80.2 | Confident | 67.7 | Low | 31 Ų | 31 | 87.1 Ų | 87.1 | 19% | 0.188 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 125.1 | -178.7 | -170.5 | 0 | 0 | 0 | 0 | 109.3 | V361 I363 V441 | V361-V468 WeakPolarHBondContact O-CA 3.47Å; I363-V468 HydrophobicContact CB-CG1 4.47Å; I363-V468 HydrophobicContact CG1-CG1 3.52Å; V441-V468 HydrophobicContact CG1-CB 4.34Å; V441-V468 HydrophobicContact CG1-CG1 3.96Å; V441-V468 HydrophobicContact CG1-CG2 3.41Å; V441-V468 VanDerWaalsContact CG1-CG2 3.41Å |
| 469 | N | 63.4 | Low | 66.6 | Low | 92 Ų | 92 | 91.1 Ų | 91.1 | 49% | 0.492 | 46% | 0.462 | S | S | . | . | trans | -128.3 | 136.7 | -159.9 | -161.2 | 0.2 | 0 | 0 | 0 | 115.2 | I360 V361 | I360-N469 HydrophobicContact CG2-CB 3.71Å; V361-N469 PolarHBondContact O-N 2.73Å; V361-N469 VanDerWaalsContact O-N 3.14Å | ||
| 470 | C | 48.6 | Very low | 65.1 | Low | 84 Ų | 84 | 89.3 Ų | 89.3 | 57% | 0.568 | 46% | 0.462 | S | S | * | . | trans | -111.1 | 142.6 | -176.9 | -80.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 471 | K | 38.6 | Very low | 63.9 | Low | 195 Ų | 195 | 95.9 Ų | 95.9 | 85% | 0.848 | 49% | 0.488 | S | S | * | . | trans | -67 | 136.1 | -174.7 | -69.5 | 172.9 | 176.5 | 169.9 | 0 | 112.7 | ||||
| 472 | L | 40.7 | Very low | 62.6 | Low | 163 Ų | 163 | 98.2 Ų | 98.2 | 85% | 0.853 | 50% | 0.495 | S | S | * | . | trans | -166 | -22.2 | 145.7 | -112.2 | 157 | 0 | 0 | 0 | 117.2 | ||||
| 473 | I | 46.3 | Very low | 61.1 | Low | 145 Ų | 145 | 103.8 Ų | 103.8 | 74% | 0.744 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -89.7 | -19.6 | -162.3 | -64.1 | 175.5 | 0 | 0 | 0 | 115.9 | Q475 | I473-Q475 PolarHBondContact O-N 2.84Š|
| 474 | I | 46.6 | Very low | 59.8 | Low | 139 Ų | 139 | 106.7 Ų | 106.7 | 71% | 0.713 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -20.4 | -160.5 | -64.9 | 172.9 | 0 | 0 | 0 | 115.2 | S476 I478 | I474-S476 PolarHBondContact O-N 3.44Å; I474-I478 HydrophobicContact CG2-CD1 4.42Å |
| 475 | Q | 45.4 | Very low | 58.6 | Low | 170 Ų | 170 | 112.6 Ų | 112.6 | 79% | 0.794 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.9 | -26 | -170.5 | -89.6 | 177.3 | -51.1 | 0 | 0 | 115.5 | I473 | I473-Q475 PolarHBondContact O-N 2.84Å |
| 476 | S | 48.6 | Very low | 57.4 | Low | 83 Ų | 83 | 118.7 Ų | 118.7 | 58% | 0.58 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -75.4 | -36.6 | -174.9 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | I474 I478 | I474-S476 PolarHBondContact O-N 3.44Å; S476-I478 VanDerWaalsContact C-N 3.35Å; S476-I478 PolarHBondContact O-N 2.77Å |
| 477 | Y | 50.6 | Low | 56.1 | Low | 186 Ų | 186 | 123 Ų | 123 | 73% | 0.729 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.3 | -28.6 | -174.6 | -101.1 | -94.1 | 0 | 0 | 0 | 114.2 | I479 Y481 | Y477-I479 PolarHBondContact O-N 2.71Å; Y477-Y481 PolarHBondContact O-N 3.18Å |
| 478 | I | 54.4 | Low | 55 | Low | 99 Ų | 99 | 124 Ų | 124 | 51% | 0.508 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69.1 | -36 | -174.6 | -62.5 | 173.9 | 0 | 0 | 0 | 111.4 | I474 S476 L482 | I474-I478 HydrophobicContact CG2-CD1 4.42Å; S476-I478 VanDerWaalsContact C-N 3.35Å; S476-I478 PolarHBondContact O-N 2.77Å; I478-L482 HydrophobicContact CG2-CD1 4.35Å; I478-L482 WeakPolarHBondContact O-CG 3.13Å; I478-L482 PolarHBondContact O-N 2.79Å |
| 479 | I | 56.5 | Low | 53.8 | Low | 118 Ų | 118 | 131.3 Ų | 131.3 | 61% | 0.605 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.4 | -43.5 | -177.3 | -60.1 | 176.1 | 0 | 0 | 0 | 110.9 | Y477 Y481 L482 | Y477-I479 PolarHBondContact O-N 2.71Å; I479-Y481 PolarHBondContact O-N 2.78Å; I479-L482 PolarHBondContact O-N 3.32Å |
| 480 | L | 55.1 | Low | 53.5 | Low | 112 Ų | 112 | 131.3 Ų | 131.3 | 59% | 0.586 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65.3 | -39.7 | -178.4 | -172.8 | 63.7 | 0 | 0 | 0 | 112.4 | L482 M483 | L480-L482 VanDerWaalsContact C-N 3.31Å; L480-L482 PolarHBondContact O-N 3.41Å; L480-M483 PolarHBondContact O-N 2.79Å |
| 481 | Y | 57.6 | Low | 53.7 | Low | 143 Ų | 143 | 135.3 Ų | 135.3 | 56% | 0.561 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -61.5 | -37.1 | 177.7 | 177.6 | -97.5 | 0 | 0 | 0 | 112.8 | Y477 I479 K485 | Y477-Y481 PolarHBondContact O-N 3.18Å; I479-Y481 PolarHBondContact O-N 2.78Å; Y481-K485 HydrophobicContact CE1-CD 4.12Å; Y481-K485 PolarHBondContact OH-NZ 3.04Å |
| 482 | L | 60.6 | Low | 54.4 | Low | 106 Ų | 106 | 130.5 Ų | 130.5 | 56% | 0.555 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.2 | -38.2 | -178.6 | -70.6 | 168.8 | 0 | 0 | 0 | 112.7 | I478 I479 L480 K485 Y486 | I478-L482 HydrophobicContact CG2-CD1 4.35Å; I478-L482 WeakPolarHBondContact O-CG 3.13Å; I478-L482 PolarHBondContact O-N 2.79Å; I479-L482 PolarHBondContact O-N 3.32Å; L480-L482 VanDerWaalsContact C-N 3.31Å; L480-L482 PolarHBondContact O-N 3.41Å; L482-K485 PolarHBondContact O-N 3.41Å; L482-Y486 PolarHBondContact O-N 2.73Å |
| 483 | M | 56.9 | Low | 54.9 | Low | 134 Ų | 134 | 131.6 Ų | 131.6 | 66% | 0.66 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67 | -44 | -179.4 | -64.7 | -159.7 | 76 | 0 | 0 | 112.7 | L480 K485 Y486 C487 | L480-M483 PolarHBondContact O-N 2.79Å; M483-K485 PolarHBondContact O-N 3.19Å; M483-Y486 PolarHBondContact O-N 2.8Å; M483-Y486 VanDerWaalsContact O-N 3.17Å; M483-C487 PolarHBondContact O-N 2.89Å |
| 484 | I | 61.4 | Low | 55.1 | Low | 105 Ų | 105 | 130 Ų | 130 | 54% | 0.538 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -59.4 | -39.5 | -179.9 | -63.8 | 169.8 | 0 | 0 | 0 | 110.9 | Y486 I488 | I484-Y486 VanDerWaalsContact C-N 3.29Å; I484-Y486 PolarHBondContact O-N 3.24Å; I484-I488 HydrophobicContact CG2-CD1 4.37Å |
| 485 | K | 61.9 | Low | 55.2 | Low | 125 Ų | 125 | 130.2 Ų | 130.2 | 54% | 0.543 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -67.5 | -28.4 | -178.4 | -148.7 | 168.6 | -171.3 | 171 | 0 | 113.1 | Y481 L482 M483 | Y481-K485 HydrophobicContact CE1-CD 4.12Å; Y481-K485 PolarHBondContact OH-NZ 3.04Å; L482-K485 PolarHBondContact O-N 3.41Å; M483-K485 PolarHBondContact O-N 3.19Å |
| 486 | Y | 62.1 | Low | 55.4 | Low | 183 Ų | 183 | 127.3 Ų | 127.3 | 72% | 0.718 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -75.1 | -39.9 | -179.7 | -144.1 | -90.6 | 0 | 0 | 0 | 112.4 | L482 M483 I484 I488 Y489 I490 | L482-Y486 PolarHBondContact O-N 2.73Å; M483-Y486 PolarHBondContact O-N 2.8Å; M483-Y486 VanDerWaalsContact O-N 3.17Å; I484-Y486 VanDerWaalsContact C-N 3.29Å; I484-Y486 PolarHBondContact O-N 3.24Å; Y486-I488 PolarHBondContact O-N 2.82Å; Y486-Y489 PolarHBondContact O-N 2.67Å; Y486-I490 HydrophobicContact CD1-CD1 4.47Å |
| 487 | C | 60.4 | Low | 55 | Low | 92 Ų | 92 | 131.2 Ų | 131.2 | 62% | 0.622 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65 | -38.5 | -179.2 | -64.4 | 0 | 0 | 0 | 0 | 113.2 | M483 Y489 I490 | M483-C487 PolarHBondContact O-N 2.89Å; C487-Y489 VanDerWaalsContact C-N 3.28Å; C487-Y489 PolarHBondContact O-N 2.83Å; C487-I490 PolarHBondContact O-N 2.8Å |
| 488 | I | 59 | Low | 54.9 | Low | 100 Ų | 100 | 128.4 Ų | 128.4 | 51% | 0.513 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.6 | -36.4 | 179.7 | -64.4 | 168.8 | 0 | 0 | 0 | 111.2 | I484 Y486 I490 Y491 I492 | I484-I488 HydrophobicContact CG2-CD1 4.37Å; Y486-I488 PolarHBondContact O-N 2.82Å; I488-I490 VanDerWaalsContact C-N 3.35Å; I488-I490 PolarHBondContact O-N 2.67Å; I488-Y491 PolarHBondContact O-N 3.48Å; I488-I492 HydrophobicContact CG2-CD1 4.01Å; I488-I492 PolarHBondContact O-N 2.87Å |
| 489 | Y | 55.3 | Low | 54.3 | Low | 183 Ų | 183 | 132 Ų | 132 | 72% | 0.718 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.8 | -36.9 | -177.4 | -159.8 | -94.5 | 0 | 0 | 0 | 112.8 | Y486 C487 Y493 | Y486-Y489 PolarHBondContact O-N 2.67Å; C487-Y489 VanDerWaalsContact C-N 3.28Å; C487-Y489 PolarHBondContact O-N 2.83Å; Y489-Y493 PolarHBondContact O-N 3.44Å |
| 490 | I | 56.7 | Low | 53.3 | Low | 92 Ų | 92 | 135.5 Ų | 135.5 | 47% | 0.472 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -70 | -39.7 | -178.8 | -62 | 173.7 | 0 | 0 | 0 | 111.3 | Y486 C487 I488 Y493 I494 | Y486-I490 HydrophobicContact CD1-CD1 4.47Å; C487-I490 PolarHBondContact O-N 2.8Å; I488-I490 VanDerWaalsContact C-N 3.35Å; I488-I490 PolarHBondContact O-N 2.67Å; I490-Y493 PolarHBondContact O-N 2.85Å; I490-I494 HydrophobicContact CG2-CD1 4.3Å; I490-I494 PolarHBondContact O-N 3.14Å |
| 491 | Y | 52.6 | Low | 52.1 | Low | 169 Ų | 169 | 137.9 Ų | 137.9 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63 | -45.3 | -179 | -176.5 | -98 | 0 | 0 | 0 | 112.4 | I488 Y493 I494 Y495 | I488-Y491 PolarHBondContact O-N 3.48Å; Y491-Y493 VanDerWaalsContact C-N 3.27Å; Y491-Y493 PolarHBondContact O-N 2.82Å; Y491-I494 PolarHBondContact O-N 3.13Å; Y491-Y495 PolarHBondContact O-N 3.34Å |
| 492 | I | 54.7 | Low | 50.8 | Low | 94 Ų | 94 | 138.2 Ų | 138.2 | 48% | 0.482 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -63.5 | -33.8 | 180 | -63.3 | 169.4 | 0 | 0 | 0 | 111.3 | I488 N496 | I488-I492 HydrophobicContact CG2-CD1 4.01Å; I488-I492 PolarHBondContact O-N 2.87Å; I492-N496 PolarHBondContact O-ND2 2.84Å |
| 493 | Y | 50.2 | Low | 49.4 | Very low | 185 Ų | 185 | 141 Ų | 141 | 73% | 0.725 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.7 | -38.9 | 179.4 | -163.7 | -92.7 | 0 | 0 | 0 | 112.7 | Y489 I490 Y491 | Y489-Y493 PolarHBondContact O-N 3.44Å; I490-Y493 PolarHBondContact O-N 2.85Å; Y491-Y493 VanDerWaalsContact C-N 3.27Å; Y491-Y493 PolarHBondContact O-N 2.82Å |
| 494 | I | 50.7 | Low | 48.1 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 58% | 0.579 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -73.6 | -43 | -178.1 | -63.8 | 170.5 | 0 | 0 | 0 | 111.2 | I490 Y491 N496 M497 | I490-I494 HydrophobicContact CG2-CD1 4.3Å; I490-I494 PolarHBondContact O-N 3.14Å; Y491-I494 PolarHBondContact O-N 3.13Å; I494-N496 VanDerWaalsContact C-N 3.29Å; I494-N496 PolarHBondContact O-N 2.86Å; I494-M497 PolarHBondContact O-N 2.84Å |
| 495 | Y | 48.4 | Very low | 46.7 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 56% | 0.557 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -59 | -38.3 | -176.5 | -171.7 | -96.1 | 0 | 0 | 0 | 113 | Y491 M497 | Y491-Y495 PolarHBondContact O-N 3.34Å; Y495-M497 VanDerWaalsContact C-N 3.3Å; Y495-M497 PolarHBondContact O-N 3.4Å |
| 496 | N | 48.8 | Very low | 45.2 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 58% | 0.583 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -13 | -175.7 | -78.2 | -68.7 | 0 | 0 | 0 | 114.8 | I492 I494 | I492-N496 PolarHBondContact O-ND2 2.84Å; I494-N496 VanDerWaalsContact C-N 3.29Å; I494-N496 PolarHBondContact O-N 2.86Å |
| 497 | M | 41.2 | Very low | 43.7 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 81% | 0.813 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -20.8 | -175.4 | -166.5 | 172.6 | 178.8 | 0 | 0 | 113.9 | I494 Y495 | I494-M497 PolarHBondContact O-N 2.84Å; Y495-M497 VanDerWaalsContact C-N 3.3Å; Y495-M497 PolarHBondContact O-N 3.4Å |
| 498 | V | 47.6 | Very low | 42.4 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -89.1 | -17.4 | -165.8 | -174.3 | 0 | 0 | 0 | 0 | 113.8 | R500 | V498-R500 PolarHBondContact O-N 2.86Š|
| 499 | R | 42.2 | Very low | 41.5 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 66% | 0.66 | 68% | 0.683 | S | S | * | * | trans | -100.4 | 31.4 | -158.6 | -151.9 | 177 | 178.2 | -170.7 | -4 | 115.8 | ||||
| 500 | R | 35.2 | Very low | 41.2 | Very low | 191 Ų | 191 | 141.1 Ų | 141.1 | 72% | 0.721 | 69% | 0.686 | S | S | * | * | trans | -132.1 | 52 | -169.3 | -73.2 | -167.5 | 172.2 | -160.3 | 0.1 | 116.6 | V498 | V498-R500 PolarHBondContact O-N 2.86Š| ||
| 501 | L | 30.8 | Very low | 41.5 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 85% | 0.848 | 69% | 0.689 | S | S | * | * | trans | -140.8 | 138.3 | 173 | -80.2 | 176 | 0 | 0 | 0 | 115.3 | ||||
| 502 | N | 29.8 | Very low | 42.4 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 80% | 0.802 | 66% | 0.662 | S | S | * | * | trans | 88 | 155 | 159 | -58.9 | -6.7 | 0 | 0 | 0 | 120.8 | ||||
| 503 | I | 31.3 | Very low | 43.3 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 84% | 0.836 | 66% | 0.656 | S | S | * | * | trans | -140 | -165.3 | -170.9 | -12.3 | 176.7 | 0 | 0 | 0 | 108.4 | ||||
| 504 | V | 29.4 | Very low | 44.8 | Very low | 137 Ų | 137 | 125.2 Ų | 125.2 | 83% | 0.83 | 63% | 0.628 | S | S | * | * | cis | -147.8 | -178.1 | 34 | -163.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 505 | D | 32.1 | Very low | 46.1 | Very low | 140 Ų | 140 | 126.4 Ų | 126.4 | 75% | 0.749 | 63% | 0.626 | S | S | * | * | trans | -134.3 | 164.3 | -171.3 | -171.5 | 19.3 | 0 | 0 | 0 | 113.2 | ||||
| 506 | F | 30 | Very low | 46.9 | Very low | 181 Ų | 181 | 128.2 Ų | 128.2 | 79% | 0.794 | 64% | 0.64 | S | S | * | * | trans | -174.4 | 146 | 174.8 | -105.4 | -70.2 | 0 | 0 | 0 | 110.5 | ||||
| 507 | S | 31.4 | Very low | 47.6 | Very low | 93 Ų | 93 | 128 Ų | 128 | 65% | 0.65 | 64% | 0.644 | S | S | * | * | cis | -158 | 147.4 | 20.6 | -34.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 508 | L | 32.6 | Very low | 49 | Very low | 164 Ų | 164 | 123.3 Ų | 123.3 | 86% | 0.859 | 62% | 0.622 | S | S | * | * | trans | 61.7 | 121.6 | 139.9 | -77.9 | 157.7 | 0 | 0 | 0 | 123.6 | ||||
| 509 | S | 39.7 | Very low | 50.4 | Low | 31 Ų | 31 | 120.8 Ų | 120.8 | 22% | 0.217 | 61% | 0.607 | C | S | . | * | trans | -130.1 | 179 | 155.6 | 89.7 | 0 | 0 | 0 | 0 | 109.7 | E597 | S509-E597 WeakPolarHBondContact CB-OE2 3.28Å; S509-E597 PolarHBondContact OG-OE2 3.25Å | ||
| 510 | F | 50.8 | Low | 52.4 | Low | 180 Ų | 180 | 116.5 Ų | 116.5 | 79% | 0.789 | 60% | 0.595 | S | S | * | * | trans | -114.9 | 116.7 | 176.9 | -77.1 | -76.5 | 0 | 0 | 0 | 112.1 | ||||
| 511 | P | 61.2 | Low | 54.8 | Low | 83 Ų | 83 | 110.5 Ų | 110.5 | 54% | 0.539 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -91.2 | 165.2 | -172.4 | 36.2 | -37.7 | 0 | 0 | 0 | 115 | W599 | P511-W599 HydrophobicContact CB-CZ2 4.46Š|
| 512 | P | 71.6 | Confident | 57.6 | Low | 13 Ų | 13 | 109 Ų | 109 | 8% | 0.084 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -72.6 | 162.5 | 165.9 | 32.2 | -35.3 | 0 | 0 | 0 | 112.7 | F514 V590 W599 | P512-F514 HydrophobicContact CG-CE2 3.96Å; P512-F514 HydrophobicContact CG-CZ 4.37Å; P512-V590 HydrophobicContact CG-CB 4.23Å; P512-V590 HydrophobicContact CG-CG1 4.27Å; P512-V590 HydrophobicContact CG-CG2 4.46Å; P512-W599 HydrophobicContact CG-CB 3.72Å; P512-W599 HydrophobicContact CG-CD2 3.96Å; P512-W599 HydrophobicContact CG-CE3 3.99Å; P512-W599 HydrophobicContact CG-CG 3.85Å |
| 513 | E | 74.8 | Confident | 60.5 | Low | 79 Ų | 79 | 104.3 Ų | 104.3 | 37% | 0.369 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 135.9 | 171.7 | -60.7 | 177.1 | -154.4 | 0 | 0 | 111.7 | K538 K539 | E513-K538 HydrophobicContact CB-CB 4.31Å; E513-K538 WeakPolarHBondContact O-CA 3.2Å; E513-K538 PolarHBondContact O-N 2.86Å; E513-K538 IonicContact OE2-NZ 2.69Å; E513-K538 PolarHBondContact OE2-NZ 2.81Å; E513-K539 HydrophobicContact CB-CB 3.99Å; E513-K539 HydrophobicContact CG-CB 4.37Å; E513-K539 PolarHBondContact N-O 2.87Å; E513-K539 PolarHBondContact O-N 2.97Å |
| 514 | F | 80.9 | Confident | 63.2 | Low | 31 Ų | 31 | 98.2 Ų | 98.2 | 14% | 0.136 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 161.2 | 169.3 | -62.4 | -92.5 | 0 | 0 | 0 | 110.9 | P512 Q516 L518 G536 I537 V590 W599 | P512-F514 HydrophobicContact CG-CE2 3.96Å; P512-F514 HydrophobicContact CG-CZ 4.37Å; F514-Q516 PolarHBondContact O-N 2.82Å; F514-L518 HydrophobicContact CB-CD1 3.89Å; F514-L518 HydrophobicContact CB-CD2 4.16Å; F514-L518 HydrophobicContact CB-CG 4.21Å; F514-L518 HydrophobicContact CD1-CD1 4.39Å; F514-L518 HydrophobicContact CD2-CD1 4.49Å; F514-L518 HydrophobicContact CG-CD1 4.03Å; F514-G536 CarbonylContact C-O 3.56Å; F514-G536 VanDerWaalsContact CA-O 3.28Å; F514-G536 WeakPolarHBondContact CA-O 3.14Å; F514-G536 WeakPolarHBondContact CB-O 3.34Å; F514-I537 HydrophobicContact CD1-CG1 3.82Å; F514-I537 HydrophobicContact CE1-CD1 4.39Å; F514-I537 HydrophobicContact CE1-CG1 3.54Å; F514-I537 HydrophobicContact CZ-CG1 4.42Å; F514-V590 HydrophobicContact CE1-CG2 4.24Å; F514-V590 HydrophobicContact CZ-CG2 3.85Å; F514-W599 HydrophobicContact CE2-CB 4.03Å; F514-W599 HydrophobicContact CZ-CB 4.26Å |
| 515 | Y | 77.9 | Confident | 66.1 | Low | 137 Ų | 137 | 94.4 Ų | 94.4 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | trans | -67.6 | 127.3 | 164.9 | -68.8 | -77.9 | 0 | 0 | 0 | 109.3 | L518 G536 I537 K538 | Y515-L518 WeakPolarHBondContact O-CD2 3.41Å; Y515-L518 WeakPolarHBondContact O-CG 3.4Å; Y515-G536 WeakPolarHBondContact CD2-O 3.46Å; Y515-G536 PolarHBondContact N-O 2.81Å; Y515-I537 VanDerWaalsContact CE2-O 3.24Å; Y515-I537 WeakPolarHBondContact CE2-O 3.16Å; Y515-K538 HydrophobicContact CD1-CB 4.22Å; Y515-K538 HydrophobicContact CD1-CD 4.16Å; Y515-K538 HydrophobicContact CD1-CG 4.4Å; Y515-K538 HydrophobicContact CD2-CB 4.03Å; Y515-K538 HydrophobicContact CE1-CB 4.21Å; Y515-K538 HydrophobicContact CE1-CD 4.2Å; Y515-K538 HydrophobicContact CE1-CG 4.13Å; Y515-K538 HydrophobicContact CE2-CB 4.02Å; Y515-K538 HydrophobicContact CG-CB 4.13Å | ||
| 516 | Q | 65.9 | Low | 68.7 | Low | 180 Ų | 180 | 90.7 Ų | 90.7 | 84% | 0.841 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -109 | 145 | 174.8 | -72.4 | -164.2 | -5.2 | 0 | 0 | 111.1 | F514 | F514-Q516 PolarHBondContact O-N 2.82Š|
| 517 | P | 63.4 | Low | 71.2 | Confident | 105 Ų | 105 | 82.9 Ų | 82.9 | 68% | 0.682 | 43% | 0.431 | S | S | * | . | cis | -76.9 | 141.4 | 0.6 | 32.5 | -35.6 | 0 | 0 | 0 | 113 | T519 | P517-T519 VanDerWaalsContact C-N 3.33Å; P517-T519 HydrophobicContact CB-CG2 4.18Å; P517-T519 HydrophobicContact CG-CG2 4.15Å; P517-T519 PolarHBondContact O-N 3.08Å; P517-T519 VanDerWaalsContact O-N 3.13Å | ||
| 518 | L | 69.8 | Low | 73.7 | Confident | 66 Ų | 66 | 81.6 Ų | 81.6 | 35% | 0.346 | 42% | 0.417 | S | S | . | . | trans | -80.6 | 82.9 | 165.2 | -72 | 176.7 | 0 | 0 | 0 | 108.5 | F514 Y515 R602 | F514-L518 HydrophobicContact CB-CD1 3.89Å; F514-L518 HydrophobicContact CB-CD2 4.16Å; F514-L518 HydrophobicContact CB-CG 4.21Å; F514-L518 HydrophobicContact CD1-CD1 4.39Å; F514-L518 HydrophobicContact CD2-CD1 4.49Å; F514-L518 HydrophobicContact CG-CD1 4.03Å; Y515-L518 WeakPolarHBondContact O-CD2 3.41Å; Y515-L518 WeakPolarHBondContact O-CG 3.4Å; L518-R602 HydrophobicContact CD2-CB 4.01Å; L518-R602 HydrophobicContact CD2-CG 4.48Å | ||
| 519 | T | 77.5 | Confident | 76.4 | Confident | 76 Ų | 76 | 75.5 Ų | 75.5 | 47% | 0.466 | 39% | 0.388 | S | S | . | . | trans | -81.5 | 146.9 | 173.9 | 44.5 | 0 | 0 | 0 | 0 | 111.5 | P517 R602 | P517-T519 VanDerWaalsContact C-N 3.33Å; P517-T519 HydrophobicContact CB-CG2 4.18Å; P517-T519 HydrophobicContact CG-CG2 4.15Å; P517-T519 PolarHBondContact O-N 3.08Å; P517-T519 VanDerWaalsContact O-N 3.13Å; T519-R602 VanDerWaalsContact O-CG 3.26Å; T519-R602 WeakPolarHBondContact O-CG 3.49Å | ||
| 520 | H | 84.3 | Confident | 78.6 | Confident | 85 Ų | 85 | 78 Ų | 78 | 39% | 0.394 | 41% | 0.406 | S | S | . | . | trans | -66.5 | 134.9 | 167.1 | -169.9 | 104.5 | 0 | 0 | 0 | 110 | E603 T605 | H520-E603 WeakPolarHBondContact CA-O 3.22Å; H520-E603 IonicContact CE1-OE2 3.58Å; H520-E603 PolarHBondContact CE1-OE2 2.83Å; H520-E603 IonicContact CG-OE2 2.67Å; H520-E603 IonicContact ND1-OE2 3.7Å; H520-E603 PolarHBondContact ND1-OE2 2.99Å; H520-T605 PolarHBondContact CE1-OG1 2.79Å; H520-T605 PolarHBondContact NE2-OG1 3Å | ||
| 521 | E | 86.3 | Confident | 80.6 | Confident | 65 Ų | 65 | 70.4 Ų | 70.4 | 30% | 0.304 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 142.9 | 176.8 | -69.8 | 177.2 | 136.1 | 0 | 0 | 110.7 | R602 E603 Q604 T605 | E521-R602 IonicContact OE1-NH1 3.36Å; E521-R602 PolarHBondContact OE1-NH1 3.33Å; E521-R602 WeakPolarHBondContact OE2-CD 3.46Å; E521-R602 IonicContact OE2-CZ 2.92Å; E521-R602 IonicContact OE2-NE 3.8Å; E521-R602 IonicContact OE2-NH1 3.81Å; E521-R602 PolarHBondContact OE2-NH1 3.15Å; E521-E603 PolarHBondContact N-O 3.15Å; E521-Q604 HydrophobicContact CB-CG 4.1Å; E521-Q604 CarbonylContact O-C 3.31Å; E521-Q604 WeakPolarHBondContact O-CA 3.43Å; E521-T605 PolarHBondContact O-N 2.91Å |
| 522 | E | 88.4 | Confident | 82 | Confident | 131 Ų | 131 | 69.8 Ų | 69.8 | 61% | 0.612 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127.2 | -179.7 | -170.7 | -171.4 | 134.7 | 0 | 0 | 110.4 | T605 I607 | E522-T605 CarbonylContact C-O 3.57Å; E522-T605 WeakPolarHBondContact CA-O 3.11Å; E522-T605 HydrophobicContact CG-CG2 4.36Å; E522-I607 HydrophobicContact CG-CD1 4.21Å; E522-I607 WeakPolarHBondContact OE1-CD1 3.33Å |
| 523 | H | 90.5 | Very high | 82.9 | Confident | 50 Ų | 50 | 69.2 Ų | 69.2 | 23% | 0.231 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 107 | -177.4 | -52.4 | -81.1 | 0 | 0 | 0 | 110.3 | I531 T605 L606 I607 | H523-I531 HydrophobicContact CB-CD1 3.52Å; H523-I531 VanDerWaalsContact CG-CD1 3.43Å; H523-T605 PolarHBondContact N-O 2.78Å; H523-L606 HydrophobicContact CB-CD1 4.38Å; H523-I607 PolarHBondContact O-N 3.48Å |
| 524 | A | 88.6 | Confident | 83.6 | Confident | 36 Ų | 36 | 68.1 Ų | 68.1 | 30% | 0.298 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 96.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I607 K609 | A524-I607 WeakPolarHBondContact CA-O 3.2Å; A524-I607 HydrophobicContact CB-CB 4.21Å; A524-K609 WeakPolarHBondContact O-CE 3.36Å; A524-K609 PolarHBondContact O-NZ 3.2Å |
| 525 | L | 90.2 | Very high | 83.9 | Confident | 56 Ų | 56 | 66.6 Ų | 66.6 | 29% | 0.293 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 163 | -170.2 | -61.1 | 175.7 | 0 | 0 | 0 | 112.5 | S529 I531 L578 I607 K609 | L525-S529 WeakPolarHBondContact CB-OG 3.46Å; L525-I531 HydrophobicContact CD1-CB 4Å; L525-I531 HydrophobicContact CD1-CD1 4.05Å; L525-I531 HydrophobicContact CD1-CG1 4.46Å; L525-L578 HydrophobicContact CB-CD1 4.13Å; L525-L578 HydrophobicContact CD1-CD1 3.77Å; L525-I607 PolarHBondContact N-O 2.83Å; L525-K609 WeakPolarHBondContact O-CB 3.19Å; L525-K609 VanDerWaalsContact O-CG 3.29Å; L525-K609 WeakPolarHBondContact O-CG 3.37Å; L525-K609 PolarHBondContact O-N 2.81Å |
| 526 | D | 87.6 | Confident | 84.3 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 33% | 0.332 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 151 | 172.7 | -88.1 | -28.3 | 0 | 0 | 0 | 111.1 | S529 Y691 K692 | D526-S529 WeakPolarHBondContact O-CB 3.21Å; D526-S529 PolarHBondContact O-N 3.1Å; D526-S529 PolarHBondContact O-OG 2.95Å; D526-Y691 PolarHBondContact OD1-OH 3Å; D526-K692 IonicContact OD1-NZ 3.73Å; D526-K692 PolarHBondContact OD1-NZ 3.18Å; D526-K692 IonicContact OD2-NZ 2.66Å; D526-K692 PolarHBondContact OD2-NZ 3.47Å |
| 527 | E | 82 | Confident | 85.2 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 139.1 | 171.3 | -177.1 | 176.9 | -156.2 | 0 | 0 | 111.7 | P580 V608 K609 A610 K611 | E527-P580 HydrophobicContact CG-CG 4.28Å; E527-P580 VanDerWaalsContact OE1-CD 3.26Å; E527-P580 WeakPolarHBondContact OE1-CD 2.99Å; E527-P580 WeakPolarHBondContact OE1-CG 3.24Å; E527-V608 HydrophobicContact CB-CG1 4.21Å; E527-K609 PolarHBondContact N-O 3.15Å; E527-A610 WeakPolarHBondContact OE2-CA 3.32Å; E527-K611 WeakPolarHBondContact OE2-CB 3.31Å; E527-K611 WeakPolarHBondContact OE2-CG 3.41Å; E527-K611 PolarHBondContact OE2-N 3.38Å |
| 528 | D | 83.6 | Confident | 86 | Confident | 66 Ų | 66 | 52.7 Ų | 52.7 | 35% | 0.353 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 20.4 | -173.5 | -42.8 | -42.6 | 0 | 0 | 0 | 115.9 | E577 L578 K579 K611 | D528-E577 HydrophobicContact CB-CG 4.09Å; D528-L578 PolarHBondContact N-O 2.75Å; D528-K579 IonicContact OD1-NZ 2.92Å; D528-K579 PolarHBondContact OD1-NZ 3.33Å; D528-K611 IonicContact OD2-NZ 3.18Å; D528-K611 PolarHBondContact OD2-NZ 3.02Å |
| 529 | S | 88.8 | Confident | 86.1 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 25% | 0.252 | 29% | 0.294 | S | S | . | . | trans | -97.4 | 168.2 | 170.1 | 65.4 | 0 | 0 | 0 | 0 | 113.1 | L525 D526 L578 | L525-S529 WeakPolarHBondContact CB-OG 3.46Å; D526-S529 WeakPolarHBondContact O-CB 3.21Å; D526-S529 PolarHBondContact O-N 3.1Å; D526-S529 PolarHBondContact O-OG 2.95Å; S529-L578 VanDerWaalsContact O-CB 3.27Å; S529-L578 WeakPolarHBondContact O-CB 3.48Å; S529-L578 WeakPolarHBondContact O-CG 3.45Å; S529-L578 PolarHBondContact O-N 3.32Å | ||
| 530 | S | 87.4 | Confident | 85.6 | Confident | 85 Ų | 85 | 55.7 Ų | 55.7 | 59% | 0.594 | 29% | 0.286 | S | S | * | . | trans | -111.5 | 146.2 | -175.2 | 66.8 | 0 | 0 | 0 | 0 | 113.4 | F575 P576 | S530-F575 CarbonylContact C-O 3.46Å; S530-F575 VanDerWaalsContact CA-O 3.29Å; S530-F575 WeakPolarHBondContact CA-O 3.42Å; S530-P576 VanDerWaalsContact CB-O 3.27Å; S530-P576 WeakPolarHBondContact CB-O 3.44Å | ||
| 531 | I | 91.5 | Very high | 84.5 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 152.2 | 174.8 | -172.8 | 168.1 | 0 | 0 | 0 | 112.4 | H523 L525 L533 F575 L578 L606 | H523-I531 HydrophobicContact CB-CD1 3.52Å; H523-I531 VanDerWaalsContact CG-CD1 3.43Å; L525-I531 HydrophobicContact CD1-CB 4Å; L525-I531 HydrophobicContact CD1-CD1 4.05Å; L525-I531 HydrophobicContact CD1-CG1 4.46Å; I531-L533 HydrophobicContact CD1-CD2 3.78Å; I531-L533 HydrophobicContact CG1-CD2 4.09Å; I531-F575 HydrophobicContact CG2-CB 3.95Å; I531-F575 HydrophobicContact CG2-CD2 3.94Å; I531-F575 HydrophobicContact CG2-CG 4.27Å; I531-F575 PolarHBondContact N-O 3.03Å; I531-F575 PolarHBondContact O-N 3.15Å; I531-L578 HydrophobicContact CB-CD1 4.48Å; I531-L578 HydrophobicContact CG2-CD1 3.86Å; I531-L578 HydrophobicContact CG2-CD2 3.94Å; I531-L578 HydrophobicContact CG2-CG 4.16Å; I531-L606 HydrophobicContact CD1-CD1 4.31Å; I531-L606 HydrophobicContact CG2-CD1 4.28Å; I531-L606 HydrophobicContact CG2-CD2 4.46Å |
| 532 | T | 90.5 | Very high | 83.2 | Confident | 70 Ų | 70 | 53.9 Ų | 53.9 | 43% | 0.429 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.7 | 164.9 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | R574 | T532-R574 HydrophobicContact CG2-CB 4.17Å; T532-R574 WeakPolarHBondContact OG1-CG 3.38Å |
| 533 | L | 91.2 | Very high | 81.7 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 142.7 | 176 | -54.6 | -177.9 | 0 | 0 | 0 | 110.2 | I531 W549 T572 L573 F575 Y586 Q604 | I531-L533 HydrophobicContact CD1-CD2 3.78Å; I531-L533 HydrophobicContact CG1-CD2 4.09Å; L533-W549 HydrophobicContact CB-CH2 3.77Å; L533-W549 HydrophobicContact CB-CZ3 4.01Å; L533-W549 HydrophobicContact CD1-CZ3 4.45Å; L533-T572 CarbonylContact O-C 3.55Å; L533-T572 VanDerWaalsContact O-CA 3.27Å; L533-T572 WeakPolarHBondContact O-CA 3.42Å; L533-L573 PolarHBondContact N-O 3.13Å; L533-L573 PolarHBondContact O-N 3.08Å; L533-F575 HydrophobicContact CD1-CE2 4.11Å; L533-Y586 HydrophobicContact CD1-CD1 4.14Å; L533-Y586 HydrophobicContact CD1-CD2 4.06Å; L533-Y586 HydrophobicContact CD1-CG 3.69Å; L533-Q604 VanDerWaalsContact CA-OE1 3.31Å; L533-Q604 HydrophobicContact CD2-CB 4.16Å; L533-Q604 HydrophobicContact CD2-CG 4.45Å |
| 534 | D | 89.7 | Confident | 80.3 | Confident | 56 Ų | 56 | 53.9 Ų | 53.9 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.1 | -176.9 | 170.1 | 33.1 | 0 | 0 | 0 | 111.5 | G536 R602 Q604 | D534-G536 VanDerWaalsContact C-N 3.32Å; D534-G536 VanDerWaalsContact CG-N 3.33Å; D534-G536 PolarHBondContact OD1-N 3.09Å; D534-R602 IonicContact OD2-CZ 2.74Å; D534-R602 IonicContact OD2-NH2 3.6Å; D534-R602 PolarHBondContact OD2-NH2 2.7Å; D534-Q604 PolarHBondContact O-NE2 2.9Å |
| 535 | C | 87.5 | Confident | 79.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -70.8 | -28 | 175.8 | -177.1 | 0 | 0 | 0 | 0 | 113 | I537 W549 E571 C588 R602 | C535-I537 VanDerWaalsContact SG-CD1 3.57Å; C535-W549 HydrophobicContact CB-CH2 4.46Å; C535-W549 HydrophobicContact CB-CZ2 3.91Å; C535-E571 WeakPolarHBondContact CB-O 3.48Å; C535-E571 PolarHBondContact N-O 3.16Å; C535-C588 WeakPolarHBondContact CA-SG 3.43Å; C535-C588 HydrophobicContact CB-CB 3.63Å; C535-C588 WeakPolarHBondContact CB-SG 3.25Å; C535-C588 PolarHBondContact O-SG 2.72Å; C535-C588 WeakPolarHBondContact SG-CB 3.49Å; C535-C588 CovalentContact SG-SG 2.01Å; C535-C588 PolarHBondContact SG-SG 3.28Å; C535-R602 PolarHBondContact O-N 3Å | ||
| 536 | G | 86.5 | Confident | 79 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | 77.2 | 26 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | F514 Y515 D534 | F514-G536 CarbonylContact C-O 3.56Å; F514-G536 VanDerWaalsContact CA-O 3.28Å; F514-G536 WeakPolarHBondContact CA-O 3.14Å; F514-G536 WeakPolarHBondContact CB-O 3.34Å; Y515-G536 WeakPolarHBondContact CD2-O 3.46Å; Y515-G536 PolarHBondContact N-O 2.81Å; D534-G536 VanDerWaalsContact C-N 3.32Å; D534-G536 VanDerWaalsContact CG-N 3.33Å; D534-G536 PolarHBondContact OD1-N 3.09Å | ||
| 537 | I | 83.1 | Confident | 78.9 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 8% | 0.077 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 129.7 | 175.7 | -67.1 | 171 | 0 | 0 | 0 | 110 | F514 Y515 C535 R540 V547 E571 V590 | F514-I537 HydrophobicContact CD1-CG1 3.82Å; F514-I537 HydrophobicContact CE1-CD1 4.39Å; F514-I537 HydrophobicContact CE1-CG1 3.54Å; F514-I537 HydrophobicContact CZ-CG1 4.42Å; Y515-I537 VanDerWaalsContact CE2-O 3.24Å; Y515-I537 WeakPolarHBondContact CE2-O 3.16Å; C535-I537 VanDerWaalsContact SG-CD1 3.57Å; I537-R540 HydrophobicContact CG2-CG 4.27Å; I537-V547 HydrophobicContact CD1-CG1 4.19Å; I537-V547 HydrophobicContact CD1-CG2 3.78Å; I537-E571 HydrophobicContact CD1-CG 4.24Å; I537-V590 HydrophobicContact CD1-CG2 3.44Å; I537-V590 VanDerWaalsContact CD1-CG2 3.44Å; I537-V590 HydrophobicContact CG1-CG2 4.16Å |
| 538 | K | 80.7 | Confident | 79.1 | Confident | 114 Ų | 114 | 53.1 Ų | 53.1 | 50% | 0.496 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | -31.5 | 174.7 | 173.8 | 170.9 | 170.5 | -99.2 | 0 | 112 | E513 Y515 | E513-K538 HydrophobicContact CB-CB 4.31Å; E513-K538 WeakPolarHBondContact O-CA 3.2Å; E513-K538 PolarHBondContact O-N 2.86Å; E513-K538 IonicContact OE2-NZ 2.69Å; E513-K538 PolarHBondContact OE2-NZ 2.81Å; Y515-K538 HydrophobicContact CD1-CB 4.22Å; Y515-K538 HydrophobicContact CD1-CD 4.16Å; Y515-K538 HydrophobicContact CD1-CG 4.4Å; Y515-K538 HydrophobicContact CD2-CB 4.03Å; Y515-K538 HydrophobicContact CE1-CB 4.21Å; Y515-K538 HydrophobicContact CE1-CD 4.2Å; Y515-K538 HydrophobicContact CE1-CG 4.13Å; Y515-K538 HydrophobicContact CE2-CB 4.02Å; Y515-K538 HydrophobicContact CG-CB 4.13Å |
| 539 | K | 72.7 | Confident | 79.4 | Confident | 130 Ų | 130 | 50.1 Ų | 50.1 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 120.3 | 178.1 | -169 | -177.6 | 176 | -172 | 0 | 110.4 | E513 | E513-K539 HydrophobicContact CB-CB 3.99Å; E513-K539 HydrophobicContact CG-CB 4.37Å; E513-K539 PolarHBondContact N-O 2.87Å; E513-K539 PolarHBondContact O-N 2.97Å |
| 540 | R | 66.5 | Low | 79.4 | Confident | 76 Ų | 76 | 49.3 Ų | 49.3 | 29% | 0.287 | 27% | 0.271 | S | S | . | . | trans | -62.5 | 151.9 | 174.8 | -71.1 | -167.1 | -175.7 | -140.6 | -1.8 | 112.1 | I537 S545 N569 E571 | I537-R540 HydrophobicContact CG2-CG 4.27Å; R540-S545 PolarHBondContact NH1-O 2.84Å; R540-S545 VanDerWaalsContact NH1-O 3.16Å; R540-N569 VanDerWaalsContact NH2-CB 3.31Å; R540-N569 PolarHBondContact NH2-O 2.74Å; R540-E571 IonicContact CZ-OE1 2.72Å; R540-E571 IonicContact NE-OE1 2.62Å; R540-E571 PolarHBondContact NE-OE1 3.1Å; R540-E571 IonicContact NH2-OE1 2.79Å; R540-E571 PolarHBondContact NH2-OE1 3.15Å | ||
| 541 | S | 60.7 | Low | 79.5 | Confident | 16 Ų | 16 | 46.8 Ų | 46.8 | 11% | 0.112 | 25% | 0.25 | C | C | . | . | trans | -70.8 | 176.9 | 161.7 | 51.9 | 0 | 0 | 0 | 0 | 110.8 | S545 T592 | S541-S545 PolarHBondContact O-OG 2.65Å; S541-S545 WeakPolarHBondContact OG-CB 3.31Å; S541-T592 PolarHBondContact OG-OG1 3.3Å | ||
| 542 | I | 59.2 | Low | 79.2 | Confident | 95 Ų | 95 | 49.4 Ų | 49.4 | 49% | 0.487 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -30.1 | 138.1 | -175.7 | -50.7 | 172.8 | 0 | 0 | 0 | 114.1 | G544 S545 | I542-G544 PolarHBondContact O-N 3.14Å; I542-S545 PolarHBondContact O-N 2.96Å; I542-S545 PolarHBondContact O-OG 3.29Å |
| 543 | P | 57.2 | Low | 78.8 | Confident | 132 Ų | 132 | 54.3 Ų | 54.3 | 86% | 0.857 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47 | 123.6 | 171.2 | -28.8 | 35.8 | 0 | 0 | 0 | 112.1 | ||
| 544 | G | 60.4 | Low | 78.2 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 51% | 0.505 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 111.1 | -3.5 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I542 I546 | I542-G544 PolarHBondContact O-N 3.14Å; G544-I546 PolarHBondContact O-N 2.97Å |
| 545 | S | 72 | Confident | 77.8 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 120.9 | 171.7 | 54.4 | 0 | 0 | 0 | 0 | 113 | R540 S541 I542 Q591 | R540-S545 PolarHBondContact NH1-O 2.84Å; R540-S545 VanDerWaalsContact NH1-O 3.16Å; S541-S545 PolarHBondContact O-OG 2.65Å; S541-S545 WeakPolarHBondContact OG-CB 3.31Å; I542-S545 PolarHBondContact O-N 2.96Å; I542-S545 PolarHBondContact O-OG 3.29Å; S545-Q591 CarbonylContact C-O 3.52Å; S545-Q591 WeakPolarHBondContact CA-O 3.38Å |
| 546 | I | 79.4 | Confident | 77.2 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 150.1 | 172.3 | 59.8 | 169.3 | 0 | 0 | 0 | 110.8 | G544 Y548 V590 Q591 | G544-I546 PolarHBondContact O-N 2.97Å; I546-Y548 HydrophobicContact CD1-CD1 4.45Å; I546-V590 WeakPolarHBondContact O-CA 3.35Å; I546-Q591 HydrophobicContact CG1-CB 4.18Å; I546-Q591 WeakPolarHBondContact CG1-O 3.4Å; I546-Q591 PolarHBondContact N-O 2.87Å; I546-Q591 PolarHBondContact O-N 3.23Å |
| 547 | V | 85.7 | Confident | 76 | Confident | 20 Ų | 20 | 67.4 Ų | 67.4 | 12% | 0.121 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.2 | 171.3 | -174.5 | 0 | 0 | 0 | 0 | 107.6 | I537 G570 F589 V590 | I537-V547 HydrophobicContact CD1-CG1 4.19Å; I537-V547 HydrophobicContact CD1-CG2 3.78Å; V547-G570 WeakPolarHBondContact CG1-O 3.43Å; V547-F589 WeakPolarHBondContact CA-O 3.46Å; V547-V590 HydrophobicContact CG2-CG2 4.3Å |
| 548 | Y | 87.6 | Confident | 74.5 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 15% | 0.153 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 165.2 | 174.8 | 63.4 | -92.4 | 0 | 0 | 0 | 110.7 | I546 E550 V555 C588 F589 Q591 R598 | I546-Y548 HydrophobicContact CD1-CD1 4.45Å; Y548-E550 HydrophobicContact CD2-CG 4.26Å; Y548-E550 HydrophobicContact CE2-CG 4Å; Y548-V555 HydrophobicContact CD2-CG1 4.1Å; Y548-V555 HydrophobicContact CD2-CG2 4.1Å; Y548-V555 HydrophobicContact CE2-CG2 3.95Å; Y548-C588 CarbonylContact O-C 3.55Å; Y548-C588 VanDerWaalsContact O-CA 3.28Å; Y548-C588 WeakPolarHBondContact O-CA 3.38Å; Y548-F589 HydrophobicContact CD1-CB 4.39Å; Y548-F589 HydrophobicContact CD2-CB 4.15Å; Y548-F589 HydrophobicContact CE1-CB 3.95Å; Y548-F589 HydrophobicContact CE2-CB 3.67Å; Y548-F589 HydrophobicContact CE2-CD2 4.05Å; Y548-F589 HydrophobicContact CE2-CG 4.07Å; Y548-F589 HydrophobicContact CG-CB 4.5Å; Y548-F589 PolarHBondContact N-O 3.13Å; Y548-F589 PolarHBondContact O-N 2.96Å; Y548-Q591 HydrophobicContact CE1-CB 4.13Å; Y548-R598 WeakPolarHBondContact OH-CD 3.32Å; Y548-R598 PolarHBondContact OH-NH1 2.67Å |
| 549 | W | 89.3 | Confident | 72.7 | Confident | 3 Ų | 3 | 75.1 Ų | 75.1 | 1% | 0.011 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 141.2 | 177 | -73.7 | 75.9 | 0 | 0 | 0 | 110.3 | L533 C535 L556 L566 G570 L573 C588 | L533-W549 HydrophobicContact CB-CH2 3.77Å; L533-W549 HydrophobicContact CB-CZ3 4.01Å; L533-W549 HydrophobicContact CD1-CZ3 4.45Å; C535-W549 HydrophobicContact CB-CH2 4.46Å; C535-W549 HydrophobicContact CB-CZ2 3.91Å; W549-L556 HydrophobicContact CB-CD1 3.85Å; W549-L556 HydrophobicContact CB-CG 4.5Å; W549-L556 PolarHBondContact O-N 3.07Å; W549-L566 HydrophobicContact CG-CD2 4.37Å; W549-G570 PolarHBondContact NE1-O 3.4Å; W549-L573 HydrophobicContact CB-CD2 4.41Å; W549-L573 HydrophobicContact CD2-CB 3.95Å; W549-L573 HydrophobicContact CD2-CD2 4.1Å; W549-L573 HydrophobicContact CE3-CB 4.36Å; W549-L573 HydrophobicContact CE3-CD2 4.15Å; W549-L573 HydrophobicContact CG-CB 4.37Å; W549-L573 HydrophobicContact CG-CD2 4.23Å; W549-L573 HydrophobicContact CH2-CB 4.41Å; W549-L573 HydrophobicContact CZ2-CB 4.01Å; W549-C588 HydrophobicContact CD2-CB 3.84Å; W549-C588 HydrophobicContact CE3-CB 4.15Å; W549-C588 HydrophobicContact CG-CB 4.28Å; W549-C588 HydrophobicContact CH2-CB 4.37Å; W549-C588 HydrophobicContact CZ2-CB 4.06Å; W549-C588 HydrophobicContact CZ3-CB 4.4Å |
| 550 | E | 89.2 | Confident | 71.4 | Confident | 18 Ų | 18 | 74.9 Ų | 74.9 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 138.9 | 164.7 | -61 | -173.3 | 160.9 | 0 | 0 | 109.7 | Y548 R554 V555 Y586 Q587 F589 R598 | Y548-E550 HydrophobicContact CD2-CG 4.26Å; Y548-E550 HydrophobicContact CE2-CG 4Å; E550-R554 CarbonylContact C-O 3.59Å; E550-R554 WeakPolarHBondContact CA-O 3.4Å; E550-V555 HydrophobicContact CG-CG2 4.1Å; E550-Y586 WeakPolarHBondContact O-CA 3.18Å; E550-Q587 PolarHBondContact N-O 2.98Å; E550-Q587 PolarHBondContact O-N 2.73Å; E550-F589 HydrophobicContact CB-CD2 4.31Å; E550-F589 HydrophobicContact CB-CE2 3.94Å; E550-F589 HydrophobicContact CG-CD2 3.75Å; E550-F589 HydrophobicContact CG-CE2 3.69Å; E550-F589 WeakPolarHBondContact OE2-CE2 3.22Å; E550-R598 IonicContact OE1-CZ 3.82Å; E550-R598 IonicContact OE1-NH1 3.18Å; E550-R598 PolarHBondContact OE1-NH1 2.81Å; E550-R598 IonicContact OE1-NH2 3.99Å; E550-R598 PolarHBondContact OE1-NH2 2.87Å; E550-R598 IonicContact OE2-CZ 3.85Å; E550-R598 IonicContact OE2-NH1 3.67Å; E550-R598 IonicContact OE2-NH2 2.91Å; E550-R598 PolarHBondContact OE2-NH2 3.04Å |
| 551 | K | 88.6 | Confident | 70.5 | Confident | 32 Ų | 32 | 78.1 Ų | 78.1 | 14% | 0.139 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 126.7 | 165.4 | 179 | -170.2 | -178.2 | 152.6 | 0 | 108.1 | Q553 R554 L556 E581 D582 Q583 Q585 Y586 | K551-Q553 PolarHBondContact O-N 3.44Å; K551-Q553 VanDerWaalsContact O-N 3.14Å; K551-R554 PolarHBondContact N-O 2.92Å; K551-R554 WeakPolarHBondContact O-CB 3.41Å; K551-R554 PolarHBondContact O-N 2.86Å; K551-L556 HydrophobicContact CB-CD1 4.34Å; K551-L556 HydrophobicContact CB-CD2 3.64Å; K551-L556 HydrophobicContact CB-CG 4.03Å; K551-L556 HydrophobicContact CD-CD2 4.45Å; K551-E581 PolarHBondContact NZ-O 2.9Å; K551-D582 PolarHBondContact NZ-O 3.3Å; K551-Q583 WeakPolarHBondContact CE-O 3.11Å; K551-Q583 PolarHBondContact NZ-O 3.03Å; K551-Q585 CarbonylContact C-O 3.52Å; K551-Q585 VanDerWaalsContact CA-O 3.32Å; K551-Q585 WeakPolarHBondContact CA-O 3.38Å; K551-Y586 HydrophobicContact CB-CD1 4.09Å; K551-Y586 HydrophobicContact CB-CE1 3.85Å; K551-Y586 HydrophobicContact CD-CE1 4.05Å; K551-Y586 HydrophobicContact CD-CE2 4.2Å; K551-Y586 WeakPolarHBondContact CD-OH 3.35Å; K551-Y586 WeakPolarHBondContact CE-OH 3.27Å; K551-Y586 HydrophobicContact CG-CD1 4.37Å; K551-Y586 HydrophobicContact CG-CD2 4.5Å; K551-Y586 HydrophobicContact CG-CE1 3.91Å; K551-Y586 HydrophobicContact CG-CE2 4.03Å; K551-Y586 PolarHBondContact NZ-OH 2.73Å; K551-Y586 VanDerWaalsContact NZ-OH 3.14Å |
| 552 | D | 85.4 | Confident | 70.1 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 40% | 0.396 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 40.5 | 178.7 | -55.8 | -49.9 | 0 | 0 | 0 | 112.3 | R554 G584 Q585 | D552-R554 VanDerWaalsContact C-N 3.29Å; D552-R554 PolarHBondContact O-N 2.69Å; D552-G584 WeakPolarHBondContact OD1-CA 3.19Å; D552-Q585 PolarHBondContact N-O 3.42Å; D552-Q585 PolarHBondContact OD1-N 3.48Å |
| 553 | Q | 81.3 | Confident | 70.2 | Confident | 173 Ų | 173 | 79.1 Ų | 79.1 | 81% | 0.808 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 17.2 | -176 | -51 | 176.5 | 13.8 | 0 | 0 | 115.7 | K551 | K551-Q553 PolarHBondContact O-N 3.44Å; K551-Q553 VanDerWaalsContact O-N 3.14Å |
| 554 | R | 79.6 | Confident | 70.9 | Confident | 92 Ų | 92 | 74.9 Ų | 74.9 | 35% | 0.347 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133 | 169 | -73.2 | -175.3 | 152.9 | -170.2 | -3.9 | 111.5 | E550 K551 D552 L556 H1193 | E550-R554 CarbonylContact C-O 3.59Å; E550-R554 WeakPolarHBondContact CA-O 3.4Å; K551-R554 PolarHBondContact N-O 2.92Å; K551-R554 WeakPolarHBondContact O-CB 3.41Å; K551-R554 PolarHBondContact O-N 2.86Å; D552-R554 VanDerWaalsContact C-N 3.29Å; D552-R554 PolarHBondContact O-N 2.69Å; R554-L556 PolarHBondContact O-N 2.83Å; R554-H1193 VanDerWaalsContact CZ-CE1 3.46Å; R554-H1193 VanDerWaalsContact CZ-ND1 3.28Å; R554-H1193 PolarHBondContact NE-CD2 2.86Å; R554-H1193 PolarHBondContact NE-CE1 2.88Å; R554-H1193 PolarHBondContact NE-NE2 2.93Å; R554-H1193 PolarHBondContact NH1-ND1 2.66Å; R554-H1193 PolarHBondContact NH1-O 2.93Å; R554-H1193 PolarHBondContact NH2-O 3.31Å |
| 555 | V | 81.7 | Confident | 71.6 | Confident | 69 Ų | 69 | 75.7 Ų | 75.7 | 42% | 0.418 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | 133.9 | 172.7 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | Y548 E550 E557 | Y548-V555 HydrophobicContact CD2-CG1 4.1Å; Y548-V555 HydrophobicContact CD2-CG2 4.1Å; Y548-V555 HydrophobicContact CE2-CG2 3.95Å; E550-V555 HydrophobicContact CG-CG2 4.1Å; V555-E557 PolarHBondContact O-N 3.4Å; V555-E557 VanDerWaalsContact O-N 3.1Å |
| 556 | L | 75.4 | Confident | 71.9 | Confident | 30 Ų | 30 | 79.4 Ų | 79.4 | 16% | 0.157 | 40% | 0.398 | C | S | . | . | trans | -78 | 90 | 174.2 | -71.2 | 176.2 | 0 | 0 | 0 | 110.4 | W549 K551 R554 L573 Y586 | W549-L556 HydrophobicContact CB-CD1 3.85Å; W549-L556 HydrophobicContact CB-CG 4.5Å; W549-L556 PolarHBondContact O-N 3.07Å; K551-L556 HydrophobicContact CB-CD1 4.34Å; K551-L556 HydrophobicContact CB-CD2 3.64Å; K551-L556 HydrophobicContact CB-CG 4.03Å; K551-L556 HydrophobicContact CD-CD2 4.45Å; R554-L556 PolarHBondContact O-N 2.83Å; L556-L573 HydrophobicContact CD1-CD2 3.59Å; L556-Y586 HydrophobicContact CD1-CD1 3.98Å; L556-Y586 HydrophobicContact CD1-CE1 3.77Å | ||
| 557 | E | 60.2 | Low | 71.9 | Confident | 141 Ų | 141 | 78.1 Ų | 78.1 | 66% | 0.659 | 39% | 0.39 | S | S | * | . | trans | -63.7 | 156.7 | 163.6 | -65.7 | 175.5 | 174.1 | 0 | 0 | 110.7 | V555 Y559 | V555-E557 PolarHBondContact O-N 3.4Å; V555-E557 VanDerWaalsContact O-N 3.1Å; E557-Y559 WeakPolarHBondContact O-CD2 3.26Å; E557-Y559 PolarHBondContact O-N 2.91Å | ||
| 558 | K | 52.8 | Low | 71.7 | Confident | 200 Ų | 200 | 82.1 Ų | 82.1 | 87% | 0.87 | 41% | 0.41 | S | S | * | . | trans | -72.3 | 90.8 | -176.8 | -76 | -174.3 | 175 | -177.8 | 0 | 111.6 | P560 | K558-P560 WeakPolarHBondContact O-CD 3.15Š| ||
| 559 | Y | 43 | Very low | 70.9 | Confident | 92 Ų | 92 | 87 Ų | 87 | 36% | 0.361 | 44% | 0.439 | S | S | . | . | trans | -65.1 | 120.8 | 169.9 | -70.2 | -82.3 | 0 | 0 | 0 | 111.1 | E557 N561 | E557-Y559 WeakPolarHBondContact O-CD2 3.26Å; E557-Y559 PolarHBondContact O-N 2.91Å; Y559-N561 VanDerWaalsContact C-N 3.28Å; Y559-N561 PolarHBondContact O-N 3.44Å | ||
| 560 | P | 45.1 | Very low | 70.3 | Confident | 124 Ų | 124 | 87.2 Ų | 87.2 | 81% | 0.805 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -31 | -178.6 | -25.8 | 36 | 0 | 0 | 0 | 114.3 | K558 | K558-P560 WeakPolarHBondContact O-CD 3.15Š|
| 561 | N | 47 | Very low | 70.1 | Confident | 144 Ų | 144 | 89 Ų | 89 | 77% | 0.77 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | 20.5 | -168.4 | -63.7 | 16.2 | 0 | 0 | 0 | 114 | Y559 | Y559-N561 VanDerWaalsContact C-N 3.28Å; Y559-N561 PolarHBondContact O-N 3.44Å |
| 562 | S | 52.5 | Low | 70.1 | Confident | 22 Ų | 22 | 88.3 Ų | 88.3 | 15% | 0.154 | 45% | 0.449 | C | S | . | . | trans | -114.2 | 128.5 | 170.7 | -85.4 | 0 | 0 | 0 | 0 | 109.5 | M564 R1200 | S562-M564 PolarHBondContact O-N 2.87Å; S562-R1200 PolarHBondContact OG-NH2 3.07Å | ||
| 563 | L | 60.4 | Low | 70.3 | Confident | 110 Ų | 110 | 84.9 Ų | 84.9 | 58% | 0.576 | 43% | 0.431 | S | S | * | . | trans | -64 | 6.8 | -179.4 | -70.8 | 168.7 | 0 | 0 | 0 | 114.7 | P576 E577 | L563-P576 HydrophobicContact CB-CG 4.12Å; L563-P576 WeakPolarHBondContact O-CD 3.4Å; L563-P576 VanDerWaalsContact O-CG 3.29Å; L563-P576 WeakPolarHBondContact O-CG 3.41Å; L563-E577 HydrophobicContact CD1-CB 4.25Å | ||
| 564 | M | 72.5 | Confident | 70.6 | Confident | 44 Ų | 44 | 81.8 Ų | 81.8 | 22% | 0.217 | 41% | 0.412 | C | S | . | . | trans | -70.9 | 129.7 | -175.5 | 68.9 | 178.4 | 79.4 | 0 | 0 | 111.8 | S562 L573 R574 F575 | S562-M564 PolarHBondContact O-N 2.87Å; M564-L573 HydrophobicContact CB-CD1 4.25Å; M564-L573 HydrophobicContact SD-CD1 4.44Å; M564-R574 CarbonylContact C-O 3.57Å; M564-R574 VanDerWaalsContact CA-O 3.22Å; M564-R574 WeakPolarHBondContact CA-O 3.33Å; M564-F575 HydrophobicContact CB-CD1 4.12Å; M564-F575 HydrophobicContact CB-CE1 3.96Å; M564-F575 HydrophobicContact CB-CZ 4.42Å; M564-F575 HydrophobicContact CE-CE1 4.01Å; M564-F575 HydrophobicContact SD-CE1 4.44Å | ||
| 565 | V | 75.3 | Confident | 71 | Confident | 65 Ų | 65 | 77.6 Ų | 77.6 | 39% | 0.394 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.1 | -175.8 | -171 | 0 | 0 | 0 | 0 | 110.1 | E567 R574 | V565-E567 HydrophobicContact CB-CG 4.46Å; V565-E567 HydrophobicContact CG1-CG 3.87Å; V565-E567 PolarHBondContact O-N 2.76Å; V565-R574 HydrophobicContact CB-CB 4.46Å; V565-R574 PolarHBondContact N-O 2.73Å; V565-R574 PolarHBondContact O-N 2.79Å |
| 566 | L | 78.8 | Confident | 71.2 | Confident | 91 Ų | 91 | 76.9 Ų | 76.9 | 48% | 0.476 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 103.2 | 166.5 | -74.1 | 168.1 | 0 | 0 | 0 | 109 | W549 L573 | W549-L566 HydrophobicContact CG-CD2 4.37Å; L566-L573 HydrophobicContact CD2-CB 4.34Å; L566-L573 HydrophobicContact CD2-CD1 3.83Å; L566-L573 HydrophobicContact CG-CD1 4.21Å |
| 567 | E | 79.3 | Confident | 71.6 | Confident | 57 Ų | 57 | 79.2 Ų | 79.2 | 27% | 0.266 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 168.4 | 175.9 | -66.9 | 177.9 | 166.5 | 0 | 0 | 110.2 | V565 N569 G570 E571 T572 R574 | V565-E567 HydrophobicContact CB-CG 4.46Å; V565-E567 HydrophobicContact CG1-CG 3.87Å; V565-E567 PolarHBondContact O-N 2.76Å; E567-N569 PolarHBondContact O-N 2.86Å; E567-G570 PolarHBondContact O-N 2.96Å; E567-E571 PolarHBondContact O-N 2.88Å; E567-T572 WeakPolarHBondContact CB-OG1 3.11Å; E567-T572 PolarHBondContact N-O 3Å; E567-T572 PolarHBondContact O-N 2.9Å; E567-T572 PolarHBondContact O-OG1 3.14Å; E567-R574 WeakPolarHBondContact OE1-CD 2.95Å; E567-R574 IonicContact OE1-CZ 3.79Å; E567-R574 IonicContact OE1-NE 3.96Å; E567-R574 IonicContact OE1-NH1 3.9Å; E567-R574 PolarHBondContact OE1-NH1 3.34Å |
| 568 | N | 80.4 | Confident | 72.7 | Confident | 104 Ų | 104 | 72.5 Ų | 72.5 | 56% | 0.556 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | 50.9 | 50.3 | 172.3 | -58.2 | -52.1 | 0 | 0 | 0 | 115.3 | G570 E571 T572 | N568-G570 PolarHBondContact O-N 2.77Å; N568-G570 VanDerWaalsContact O-N 3.13Å; N568-E571 HydrophobicContact CB-CB 4.06Å; N568-E571 VanDerWaalsContact O-CB 3.3Å; N568-E571 WeakPolarHBondContact O-CB 3.45Å; N568-E571 VanDerWaalsContact O-CG 3.31Å; N568-E571 WeakPolarHBondContact O-CG 3.28Å; N568-E571 PolarHBondContact O-N 2.77Å; N568-T572 PolarHBondContact ND2-OG1 2.81Å |
| 569 | N | 71 | Confident | 74.1 | Confident | 142 Ų | 142 | 66 Ų | 66 | 76% | 0.759 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | 52.3 | 34.2 | -178.3 | -67.2 | -18 | 0 | 0 | 0 | 113.9 | R540 E567 | R540-N569 VanDerWaalsContact NH2-CB 3.31Å; R540-N569 PolarHBondContact NH2-O 2.74Å; E567-N569 PolarHBondContact O-N 2.86Å |
| 570 | G | 76.9 | Confident | 75.8 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 7% | 0.072 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | 92.6 | 0.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | V547 W549 E567 N568 T572 | V547-G570 WeakPolarHBondContact CG1-O 3.43Å; W549-G570 PolarHBondContact NE1-O 3.4Å; E567-G570 PolarHBondContact O-N 2.96Å; N568-G570 PolarHBondContact O-N 2.77Å; N568-G570 VanDerWaalsContact O-N 3.13Å; G570-T572 VanDerWaalsContact C-N 3.32Å; G570-T572 PolarHBondContact O-N 3Å |
| 571 | E | 85.5 | Confident | 77.3 | Confident | 55 Ų | 55 | 63 Ų | 63 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -18.1 | -177.6 | -67.1 | 171.4 | -160.1 | 0 | 0 | 113.5 | C535 I537 R540 E567 N568 | C535-E571 WeakPolarHBondContact CB-O 3.48Å; C535-E571 PolarHBondContact N-O 3.16Å; I537-E571 HydrophobicContact CD1-CG 4.24Å; R540-E571 IonicContact CZ-OE1 2.72Å; R540-E571 IonicContact NE-OE1 2.62Å; R540-E571 PolarHBondContact NE-OE1 3.1Å; R540-E571 IonicContact NH2-OE1 2.79Å; R540-E571 PolarHBondContact NH2-OE1 3.15Å; E567-E571 PolarHBondContact O-N 2.88Å; N568-E571 HydrophobicContact CB-CB 4.06Å; N568-E571 VanDerWaalsContact O-CB 3.3Å; N568-E571 WeakPolarHBondContact O-CB 3.45Å; N568-E571 VanDerWaalsContact O-CG 3.31Å; N568-E571 WeakPolarHBondContact O-CG 3.28Å; N568-E571 PolarHBondContact O-N 2.77Å |
| 572 | T | 89 | Confident | 79.2 | Confident | 18 Ų | 18 | 56.6 Ų | 56.6 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 136.7 | 179.7 | 46.4 | 0 | 0 | 0 | 0 | 111.4 | L533 E567 N568 G570 | L533-T572 CarbonylContact O-C 3.55Å; L533-T572 VanDerWaalsContact O-CA 3.27Å; L533-T572 WeakPolarHBondContact O-CA 3.42Å; E567-T572 WeakPolarHBondContact CB-OG1 3.11Å; E567-T572 PolarHBondContact N-O 3Å; E567-T572 PolarHBondContact O-N 2.9Å; E567-T572 PolarHBondContact O-OG1 3.14Å; N568-T572 PolarHBondContact ND2-OG1 2.81Å; G570-T572 VanDerWaalsContact C-N 3.32Å; G570-T572 PolarHBondContact O-N 3Å |
| 573 | L | 88.4 | Confident | 80.9 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 118.6 | -179.5 | 176.1 | 65 | 0 | 0 | 0 | 110.1 | L533 W549 L556 M564 L566 F575 Y586 | L533-L573 PolarHBondContact N-O 3.13Å; L533-L573 PolarHBondContact O-N 3.08Å; W549-L573 HydrophobicContact CB-CD2 4.41Å; W549-L573 HydrophobicContact CD2-CB 3.95Å; W549-L573 HydrophobicContact CD2-CD2 4.1Å; W549-L573 HydrophobicContact CE3-CB 4.36Å; W549-L573 HydrophobicContact CE3-CD2 4.15Å; W549-L573 HydrophobicContact CG-CB 4.37Å; W549-L573 HydrophobicContact CG-CD2 4.23Å; W549-L573 HydrophobicContact CH2-CB 4.41Å; W549-L573 HydrophobicContact CZ2-CB 4.01Å; L556-L573 HydrophobicContact CD1-CD2 3.59Å; M564-L573 HydrophobicContact CB-CD1 4.25Å; M564-L573 HydrophobicContact SD-CD1 4.44Å; L566-L573 HydrophobicContact CD2-CB 4.34Å; L566-L573 HydrophobicContact CD2-CD1 3.83Å; L566-L573 HydrophobicContact CG-CD1 4.21Å; L573-F575 HydrophobicContact CD2-CE2 3.91Å; L573-F575 HydrophobicContact CD2-CZ 3.98Å; L573-F575 HydrophobicContact CG-CE2 3.81Å; L573-F575 HydrophobicContact CG-CZ 4.19Å; L573-Y586 HydrophobicContact CD2-CD1 3.64Å; L573-Y586 HydrophobicContact CD2-CE1 3.82Å |
| 574 | R | 89 | Confident | 82.2 | Confident | 109 Ų | 109 | 55 Ų | 55 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.4 | -171.6 | 178.5 | 177.3 | 177.8 | -166.8 | -2.4 | 112.3 | T532 M564 V565 E567 | T532-R574 HydrophobicContact CG2-CB 4.17Å; T532-R574 WeakPolarHBondContact OG1-CG 3.38Å; M564-R574 CarbonylContact C-O 3.57Å; M564-R574 VanDerWaalsContact CA-O 3.22Å; M564-R574 WeakPolarHBondContact CA-O 3.33Å; V565-R574 HydrophobicContact CB-CB 4.46Å; V565-R574 PolarHBondContact N-O 2.73Å; V565-R574 PolarHBondContact O-N 2.79Å; E567-R574 WeakPolarHBondContact OE1-CD 2.95Å; E567-R574 IonicContact OE1-CZ 3.79Å; E567-R574 IonicContact OE1-NE 3.96Å; E567-R574 IonicContact OE1-NH1 3.9Å; E567-R574 PolarHBondContact OE1-NH1 3.34Å |
| 575 | F | 87.8 | Confident | 83.1 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 109 | 173.3 | -62.5 | -97.7 | 0 | 0 | 0 | 109 | S530 I531 L533 M564 L573 L578 D582 Y586 L606 | S530-F575 CarbonylContact C-O 3.46Å; S530-F575 VanDerWaalsContact CA-O 3.29Å; S530-F575 WeakPolarHBondContact CA-O 3.42Å; I531-F575 HydrophobicContact CG2-CB 3.95Å; I531-F575 HydrophobicContact CG2-CD2 3.94Å; I531-F575 HydrophobicContact CG2-CG 4.27Å; I531-F575 PolarHBondContact N-O 3.03Å; I531-F575 PolarHBondContact O-N 3.15Å; L533-F575 HydrophobicContact CD1-CE2 4.11Å; M564-F575 HydrophobicContact CB-CD1 4.12Å; M564-F575 HydrophobicContact CB-CE1 3.96Å; M564-F575 HydrophobicContact CB-CZ 4.42Å; M564-F575 HydrophobicContact CE-CE1 4.01Å; M564-F575 HydrophobicContact SD-CE1 4.44Å; L573-F575 HydrophobicContact CD2-CE2 3.91Å; L573-F575 HydrophobicContact CD2-CZ 3.98Å; L573-F575 HydrophobicContact CG-CE2 3.81Å; L573-F575 HydrophobicContact CG-CZ 4.19Å; F575-L578 HydrophobicContact CB-CD2 3.75Å; F575-L578 HydrophobicContact CB-CG 4.27Å; F575-L578 HydrophobicContact CD1-CD2 4.06Å; F575-L578 HydrophobicContact CG-CD2 3.89Å; F575-D582 HydrophobicContact CD1-CB 4.1Å; F575-D582 HydrophobicContact CE1-CB 4.03Å; F575-Y586 HydrophobicContact CE2-CE1 4.28Å; F575-Y586 HydrophobicContact CZ-CD1 4.5Å; F575-Y586 AromaticContact CZ-CE1 3.62Å; F575-Y586 HydrophobicContact CZ-CE1 3.62Å; F575-Y586 AromaticContact CZ-CZ 3.62Å; F575-Y586 WeakPolarHBondContact CZ-OH 3.44Å; F575-L606 HydrophobicContact CE2-CD2 4.38Å |
| 576 | P | 84.4 | Confident | 83.9 | Confident | 54 Ų | 54 | 53.9 Ų | 53.9 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -66.9 | -34.2 | 176.4 | -23.8 | 35.9 | 0 | 0 | 0 | 113.5 | S530 L563 | S530-P576 VanDerWaalsContact CB-O 3.27Å; S530-P576 WeakPolarHBondContact CB-O 3.44Å; L563-P576 HydrophobicContact CB-CG 4.12Å; L563-P576 WeakPolarHBondContact O-CD 3.4Å; L563-P576 VanDerWaalsContact O-CG 3.29Å; L563-P576 WeakPolarHBondContact O-CG 3.41Å |
| 577 | E | 83.6 | Confident | 84.5 | Confident | 78 Ų | 78 | 51.9 Ų | 51.9 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -150.1 | 111.8 | -176.3 | -172.7 | -176.2 | 174 | 0 | 0 | 109.1 | D528 L563 K579 | D528-E577 HydrophobicContact CB-CG 4.09Å; L563-E577 HydrophobicContact CD1-CB 4.25Å; E577-K579 VanDerWaalsContact CD-NZ 3.32Å; E577-K579 IonicContact OE1-NZ 2.69Å; E577-K579 PolarHBondContact OE1-NZ 2.92Å |
| 578 | L | 84.5 | Confident | 85 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -80.3 | 121.1 | -173.8 | -76.7 | 170.4 | 0 | 0 | 0 | 112.7 | L525 D528 S529 I531 F575 D582 L606 V608 | L525-L578 HydrophobicContact CB-CD1 4.13Å; L525-L578 HydrophobicContact CD1-CD1 3.77Å; D528-L578 PolarHBondContact N-O 2.75Å; S529-L578 VanDerWaalsContact O-CB 3.27Å; S529-L578 WeakPolarHBondContact O-CB 3.48Å; S529-L578 WeakPolarHBondContact O-CG 3.45Å; S529-L578 PolarHBondContact O-N 3.32Å; I531-L578 HydrophobicContact CB-CD1 4.48Å; I531-L578 HydrophobicContact CG2-CD1 3.86Å; I531-L578 HydrophobicContact CG2-CD2 3.94Å; I531-L578 HydrophobicContact CG2-CG 4.16Å; F575-L578 HydrophobicContact CB-CD2 3.75Å; F575-L578 HydrophobicContact CB-CG 4.27Å; F575-L578 HydrophobicContact CD1-CD2 4.06Å; F575-L578 HydrophobicContact CG-CD2 3.89Å; L578-D582 HydrophobicContact CD2-CB 3.9Å; L578-L606 HydrophobicContact CD1-CD1 4.05Å; L578-L606 HydrophobicContact CD2-CD1 4.2Å; L578-L606 HydrophobicContact CD2-CD2 3.71Å; L578-L606 HydrophobicContact CD2-CG 4.4Å; L578-V608 HydrophobicContact CB-CG1 4.43Å; L578-V608 HydrophobicContact CB-CG2 4.27Å; L578-V608 HydrophobicContact CD2-CG2 4.34Å | ||
| 579 | K | 81.7 | Confident | 85.4 | Confident | 65 Ų | 65 | 44.5 Ų | 44.5 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | trans | -98.3 | 158.9 | 171.2 | -56.8 | -57.7 | 171.6 | -174.7 | 0 | 111.1 | D528 E577 E581 D582 | D528-K579 IonicContact OD1-NZ 2.92Å; D528-K579 PolarHBondContact OD1-NZ 3.33Å; E577-K579 VanDerWaalsContact CD-NZ 3.32Å; E577-K579 IonicContact OE1-NZ 2.69Å; E577-K579 PolarHBondContact OE1-NZ 2.92Å; K579-E581 HydrophobicContact CB-CG 3.9Å; K579-E581 PolarHBondContact O-N 2.86Å; K579-D582 PolarHBondContact N-OD2 2.78Å; K579-D582 WeakPolarHBondContact O-CB 3.1Å; K579-D582 PolarHBondContact O-N 2.78Å | ||
| 580 | P | 77.9 | Confident | 86.2 | Confident | 45 Ų | 45 | 37.8 Ų | 37.8 | 29% | 0.292 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -59.1 | -23.3 | -177.6 | -26.5 | 36.6 | 0 | 0 | 0 | 114.3 | E527 A610 | E527-P580 HydrophobicContact CG-CG 4.28Å; E527-P580 VanDerWaalsContact OE1-CD 3.26Å; E527-P580 WeakPolarHBondContact OE1-CD 2.99Å; E527-P580 WeakPolarHBondContact OE1-CG 3.24Å; P580-A610 HydrophobicContact CB-CB 4.16Å; P580-A610 HydrophobicContact CG-CB 3.87Å |
| 581 | E | 78.3 | Confident | 86.3 | Confident | 106 Ų | 106 | 40.4 Ų | 40.4 | 50% | 0.495 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -77.9 | -15.5 | 174.9 | 56 | -175.2 | 121.9 | 0 | 0 | 114.4 | K551 K579 Q583 R1200 | K551-E581 PolarHBondContact NZ-O 2.9Å; K579-E581 HydrophobicContact CB-CG 3.9Å; K579-E581 PolarHBondContact O-N 2.86Å; E581-Q583 VanDerWaalsContact C-N 3.3Å; E581-R1200 IonicContact OE2-CZ 3.58Å; E581-R1200 IonicContact OE2-NE 2.67Å; E581-R1200 PolarHBondContact OE2-NE 3.01Å; E581-R1200 IonicContact OE2-NH2 2.73Å; E581-R1200 PolarHBondContact OE2-NH2 3.25Å |
| 582 | D | 85.4 | Confident | 85.6 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -77 | -14.5 | 174.6 | -65.6 | -51.2 | 0 | 0 | 0 | 112.6 | K551 F575 L578 K579 G584 Y586 | K551-D582 PolarHBondContact NZ-O 3.3Å; F575-D582 HydrophobicContact CD1-CB 4.1Å; F575-D582 HydrophobicContact CE1-CB 4.03Å; L578-D582 HydrophobicContact CD2-CB 3.9Å; K579-D582 PolarHBondContact N-OD2 2.78Å; K579-D582 WeakPolarHBondContact O-CB 3.1Å; K579-D582 PolarHBondContact O-N 2.78Å; D582-G584 PolarHBondContact O-N 2.74Å; D582-Y586 WeakPolarHBondContact O-CE2 3.31Å; D582-Y586 PolarHBondContact O-OH 3.47Å |
| 583 | Q | 88.5 | Confident | 84.3 | Confident | 89 Ų | 89 | 43.7 Ų | 43.7 | 42% | 0.416 | 21% | 0.214 | S | C | . | . | trans | -57.8 | 137.2 | 172.7 | 161.4 | 161.6 | -28.8 | 0 | 0 | 112.4 | K551 E581 L606 V608 | K551-Q583 WeakPolarHBondContact CE-O 3.11Å; K551-Q583 PolarHBondContact NZ-O 3.03Å; E581-Q583 VanDerWaalsContact C-N 3.3Å; Q583-L606 VanDerWaalsContact CA-O 3.3Å; Q583-L606 WeakPolarHBondContact CA-O 3.5Å; Q583-L606 WeakPolarHBondContact CG-O 3.47Å; Q583-V608 HydrophobicContact CB-CB 4.32Å; Q583-V608 HydrophobicContact CB-CG2 4.12Å | ||
| 584 | G | 88.4 | Confident | 82.9 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.6 | -178.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D552 D582 L606 | D552-G584 WeakPolarHBondContact OD1-CA 3.19Å; D582-G584 PolarHBondContact O-N 2.74Å; G584-L606 PolarHBondContact N-O 3.13Å; G584-L606 PolarHBondContact O-N 2.9Å |
| 585 | Q | 91.4 | Very high | 81.7 | Confident | 86 Ų | 86 | 47.8 Ų | 47.8 | 40% | 0.402 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 121.1 | 173.7 | -57.6 | -166.3 | -66.5 | 0 | 0 | 110.6 | K551 D552 T605 | K551-Q585 CarbonylContact C-O 3.52Å; K551-Q585 VanDerWaalsContact CA-O 3.32Å; K551-Q585 WeakPolarHBondContact CA-O 3.38Å; D552-Q585 PolarHBondContact N-O 3.42Å; D552-Q585 PolarHBondContact OD1-N 3.48Å; Q585-T605 PolarHBondContact NE2-OG1 2.8Å |
| 586 | Y | 91.7 | Very high | 80.5 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.9 | -176.2 | -71.5 | -98.2 | 0 | 0 | 0 | 111 | L533 E550 K551 L556 L573 F575 D582 E603 Q604 L606 | L533-Y586 HydrophobicContact CD1-CD1 4.14Å; L533-Y586 HydrophobicContact CD1-CD2 4.06Å; L533-Y586 HydrophobicContact CD1-CG 3.69Å; E550-Y586 WeakPolarHBondContact O-CA 3.18Å; K551-Y586 HydrophobicContact CB-CD1 4.09Å; K551-Y586 HydrophobicContact CB-CE1 3.85Å; K551-Y586 HydrophobicContact CD-CE1 4.05Å; K551-Y586 HydrophobicContact CD-CE2 4.2Å; K551-Y586 WeakPolarHBondContact CD-OH 3.35Å; K551-Y586 WeakPolarHBondContact CE-OH 3.27Å; K551-Y586 HydrophobicContact CG-CD1 4.37Å; K551-Y586 HydrophobicContact CG-CD2 4.5Å; K551-Y586 HydrophobicContact CG-CE1 3.91Å; K551-Y586 HydrophobicContact CG-CE2 4.03Å; K551-Y586 PolarHBondContact NZ-OH 2.73Å; K551-Y586 VanDerWaalsContact NZ-OH 3.14Å; L556-Y586 HydrophobicContact CD1-CD1 3.98Å; L556-Y586 HydrophobicContact CD1-CE1 3.77Å; L573-Y586 HydrophobicContact CD2-CD1 3.64Å; L573-Y586 HydrophobicContact CD2-CE1 3.82Å; F575-Y586 HydrophobicContact CE2-CE1 4.28Å; F575-Y586 HydrophobicContact CZ-CD1 4.5Å; F575-Y586 AromaticContact CZ-CE1 3.62Å; F575-Y586 HydrophobicContact CZ-CE1 3.62Å; F575-Y586 AromaticContact CZ-CZ 3.62Å; F575-Y586 WeakPolarHBondContact CZ-OH 3.44Å; D582-Y586 WeakPolarHBondContact O-CE2 3.31Å; D582-Y586 PolarHBondContact O-OH 3.47Å; Y586-E603 WeakPolarHBondContact O-CA 3.38Å; Y586-Q604 PolarHBondContact N-O 2.83Å; Y586-Q604 PolarHBondContact O-N 2.85Å; Y586-L606 HydrophobicContact CD2-CB 4.18Å; Y586-L606 HydrophobicContact CE2-CB 4.13Å; Y586-L606 HydrophobicContact CE2-CD2 3.93Å |
| 587 | Q | 91.7 | Very high | 79.7 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 23% | 0.234 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 134.3 | 172.9 | -177 | 168.2 | 49 | 0 | 0 | 110.7 | E550 F589 G601 | E550-Q587 PolarHBondContact N-O 2.98Å; E550-Q587 PolarHBondContact O-N 2.73Å; Q587-F589 HydrophobicContact CB-CE2 4.09Å; Q587-F589 HydrophobicContact CG-CE2 3.93Å; Q587-F589 HydrophobicContact CG-CZ 4.06Å; Q587-G601 PolarHBondContact NE2-O 3.41Å |
| 588 | C | 89.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 155.9 | 173.2 | 71.1 | 0 | 0 | 0 | 0 | 112.6 | C535 Y548 W549 S600 G601 | C535-C588 WeakPolarHBondContact CA-SG 3.43Å; C535-C588 HydrophobicContact CB-CB 3.63Å; C535-C588 WeakPolarHBondContact CB-SG 3.25Å; C535-C588 PolarHBondContact O-SG 2.72Å; C535-C588 WeakPolarHBondContact SG-CB 3.49Å; C535-C588 CovalentContact SG-SG 2.01Å; C535-C588 PolarHBondContact SG-SG 3.28Å; Y548-C588 CarbonylContact O-C 3.55Å; Y548-C588 VanDerWaalsContact O-CA 3.28Å; Y548-C588 WeakPolarHBondContact O-CA 3.38Å; W549-C588 HydrophobicContact CD2-CB 3.84Å; W549-C588 HydrophobicContact CE3-CB 4.15Å; W549-C588 HydrophobicContact CG-CB 4.28Å; W549-C588 HydrophobicContact CH2-CB 4.37Å; W549-C588 HydrophobicContact CZ2-CB 4.06Å; W549-C588 HydrophobicContact CZ3-CB 4.4Å; C588-S600 WeakPolarHBondContact O-CA 3.15Å; C588-G601 PolarHBondContact O-N 2.76Å; C588-G601 VanDerWaalsContact SG-CA 3.53Å |
| 589 | F | 89.4 | Confident | 79.7 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 139.7 | 175.6 | -67.6 | -92.2 | 0 | 0 | 0 | 110.9 | V547 Y548 E550 Q587 R598 W599 S600 | V547-F589 WeakPolarHBondContact CA-O 3.46Å; Y548-F589 HydrophobicContact CD1-CB 4.39Å; Y548-F589 HydrophobicContact CD2-CB 4.15Å; Y548-F589 HydrophobicContact CE1-CB 3.95Å; Y548-F589 HydrophobicContact CE2-CB 3.67Å; Y548-F589 HydrophobicContact CE2-CD2 4.05Å; Y548-F589 HydrophobicContact CE2-CG 4.07Å; Y548-F589 HydrophobicContact CG-CB 4.5Å; Y548-F589 PolarHBondContact N-O 3.13Å; Y548-F589 PolarHBondContact O-N 2.96Å; E550-F589 HydrophobicContact CB-CD2 4.31Å; E550-F589 HydrophobicContact CB-CE2 3.94Å; E550-F589 HydrophobicContact CG-CD2 3.75Å; E550-F589 HydrophobicContact CG-CE2 3.69Å; E550-F589 WeakPolarHBondContact OE2-CE2 3.22Å; Q587-F589 HydrophobicContact CB-CE2 4.09Å; Q587-F589 HydrophobicContact CG-CE2 3.93Å; Q587-F589 HydrophobicContact CG-CZ 4.06Å; F589-R598 HydrophobicContact CD1-CG 3.93Å; F589-R598 HydrophobicContact CE1-CG 4.46Å; F589-R598 VanDerWaalsContact CZ-NH2 3.27Å; F589-W599 WeakPolarHBondContact CA-O 3.47Å; F589-S600 VanDerWaalsContact CE1-CB 3.49Å; F589-S600 WeakPolarHBondContact CE1-OG 3.17Å |
| 590 | V | 86.4 | Confident | 80 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.9 | 170.3 | -171 | 0 | 0 | 0 | 0 | 108.9 | P512 F514 I537 I546 V547 R598 W599 | P512-V590 HydrophobicContact CG-CB 4.23Å; P512-V590 HydrophobicContact CG-CG1 4.27Å; P512-V590 HydrophobicContact CG-CG2 4.46Å; F514-V590 HydrophobicContact CE1-CG2 4.24Å; F514-V590 HydrophobicContact CZ-CG2 3.85Å; I537-V590 HydrophobicContact CD1-CG2 3.44Å; I537-V590 VanDerWaalsContact CD1-CG2 3.44Å; I537-V590 HydrophobicContact CG1-CG2 4.16Å; I546-V590 WeakPolarHBondContact O-CA 3.35Å; V547-V590 HydrophobicContact CG2-CG2 4.3Å; V590-R598 WeakPolarHBondContact O-CA 3.24Å; V590-W599 PolarHBondContact N-O 3.37Å; V590-W599 PolarHBondContact O-N 3.06Å |
| 591 | Q | 79.9 | Confident | 80.4 | Confident | 62 Ų | 62 | 59.3 Ų | 59.3 | 29% | 0.29 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 147.7 | 174.4 | -173.2 | 169.8 | -10.1 | 0 | 0 | 110.1 | S545 I546 Y548 | S545-Q591 CarbonylContact C-O 3.52Å; S545-Q591 WeakPolarHBondContact CA-O 3.38Å; I546-Q591 HydrophobicContact CG1-CB 4.18Å; I546-Q591 WeakPolarHBondContact CG1-O 3.4Å; I546-Q591 PolarHBondContact N-O 2.87Å; I546-Q591 PolarHBondContact O-N 3.23Å; Y548-Q591 HydrophobicContact CE1-CB 4.13Å |
| 592 | T | 71.2 | Confident | 81 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.5 | 177.7 | -54.9 | 0 | 0 | 0 | 0 | 109.2 | S541 G594 Y595 | S541-T592 PolarHBondContact OG-OG1 3.3Å; T592-G594 PolarHBondContact O-N 2.84Å; T592-Y595 HydrophobicContact CG2-CD2 4.13Å; T592-Y595 WeakPolarHBondContact O-CB 3.19Å; T592-Y595 PolarHBondContact O-N 2.83Å |
| 593 | D | 60.8 | Low | 81.2 | Confident | 131 Ų | 131 | 59.2 Ų | 59.2 | 70% | 0.701 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 138.4 | 179.1 | -75.6 | -20.4 | 0 | 0 | 0 | 112.3 | Y595 | D593-Y595 VanDerWaalsContact C-N 3.26Å; D593-Y595 PolarHBondContact O-N 2.83Å |
| 594 | G | 59.5 | Low | 81.4 | Confident | 89 Ų | 89 | 55.1 Ų | 55.1 | 92% | 0.918 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -16.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | T592 | T592-G594 PolarHBondContact O-N 2.84Š|
| 595 | Y | 63.1 | Low | 81.6 | Confident | 109 Ų | 109 | 55.7 Ų | 55.7 | 43% | 0.427 | 28% | 0.282 | S | S | . | . | trans | -97.4 | 136.5 | 175.7 | -68.2 | -94.2 | 0 | 0 | 0 | 111.5 | T592 D593 | T592-Y595 HydrophobicContact CG2-CD2 4.13Å; T592-Y595 WeakPolarHBondContact O-CB 3.19Å; T592-Y595 PolarHBondContact O-N 2.83Å; D593-Y595 VanDerWaalsContact C-N 3.26Å; D593-Y595 PolarHBondContact O-N 2.83Å | ||
| 596 | K | 63.5 | Low | 81.6 | Confident | 212 Ų | 212 | 51.6 Ų | 51.6 | 92% | 0.922 | 26% | 0.264 | S | S | * | . | trans | -83.3 | -14.4 | 174.8 | -75.5 | -169.8 | 174.8 | -174.5 | 0 | 113.9 | ||||
| 597 | E | 68 | Low | 81.5 | Confident | 94 Ų | 94 | 53.3 Ų | 53.3 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | trans | -84.4 | 134.9 | -176.7 | -159.4 | 176.7 | 162.6 | 0 | 0 | 109.4 | S509 W599 | S509-E597 WeakPolarHBondContact CB-OE2 3.28Å; S509-E597 PolarHBondContact OG-OE2 3.25Å; E597-W599 HydrophobicContact CB-CH2 4.39Å; E597-W599 HydrophobicContact CB-CZ2 3.89Å; E597-W599 HydrophobicContact CG-CZ2 3.99Å; E597-W599 PolarHBondContact OE1-NE1 2.76Å | ||
| 598 | R | 82.2 | Confident | 81.3 | Confident | 101 Ų | 101 | 51.1 Ų | 51.1 | 38% | 0.381 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.3 | 174.2 | 75.9 | -179 | -159.2 | 165.2 | 10.5 | 109 | Y548 E550 F589 V590 | Y548-R598 WeakPolarHBondContact OH-CD 3.32Å; Y548-R598 PolarHBondContact OH-NH1 2.67Å; E550-R598 IonicContact OE1-CZ 3.82Å; E550-R598 IonicContact OE1-NH1 3.18Å; E550-R598 PolarHBondContact OE1-NH1 2.81Å; E550-R598 IonicContact OE1-NH2 3.99Å; E550-R598 PolarHBondContact OE1-NH2 2.87Å; E550-R598 IonicContact OE2-CZ 3.85Å; E550-R598 IonicContact OE2-NH1 3.67Å; E550-R598 IonicContact OE2-NH2 2.91Å; E550-R598 PolarHBondContact OE2-NH2 3.04Å; F589-R598 HydrophobicContact CD1-CG 3.93Å; F589-R598 HydrophobicContact CE1-CG 4.46Å; F589-R598 VanDerWaalsContact CZ-NH2 3.27Å; V590-R598 WeakPolarHBondContact O-CA 3.24Å |
| 599 | W | 84.9 | Confident | 81.2 | Confident | 26 Ų | 26 | 53.3 Ų | 53.3 | 10% | 0.098 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 113.9 | -175.4 | -58 | -76.8 | 0 | 0 | 0 | 110.3 | P511 P512 F514 F589 V590 E597 | P511-W599 HydrophobicContact CB-CZ2 4.46Å; P512-W599 HydrophobicContact CG-CB 3.72Å; P512-W599 HydrophobicContact CG-CD2 3.96Å; P512-W599 HydrophobicContact CG-CE3 3.99Å; P512-W599 HydrophobicContact CG-CG 3.85Å; F514-W599 HydrophobicContact CE2-CB 4.03Å; F514-W599 HydrophobicContact CZ-CB 4.26Å; F589-W599 WeakPolarHBondContact CA-O 3.47Å; V590-W599 PolarHBondContact N-O 3.37Å; V590-W599 PolarHBondContact O-N 3.06Å; E597-W599 HydrophobicContact CB-CH2 4.39Å; E597-W599 HydrophobicContact CB-CZ2 3.89Å; E597-W599 HydrophobicContact CG-CZ2 3.99Å; E597-W599 PolarHBondContact OE1-NE1 2.76Å |
| 600 | S | 87.7 | Confident | 80.9 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 137.2 | -178.9 | -19.1 | 0 | 0 | 0 | 0 | 111.8 | C588 F589 | C588-S600 WeakPolarHBondContact O-CA 3.15Å; F589-S600 VanDerWaalsContact CE1-CB 3.49Å; F589-S600 WeakPolarHBondContact CE1-OG 3.17Å |
| 601 | G | 87.6 | Confident | 80.9 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -150.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q587 C588 | Q587-G601 PolarHBondContact NE2-O 3.41Å; C588-G601 PolarHBondContact O-N 2.76Å; C588-G601 VanDerWaalsContact SG-CA 3.53Å |
| 602 | R | 89.7 | Confident | 81.4 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 134.1 | -173.3 | -157.7 | -173.9 | -51.7 | 172.9 | 8.9 | 112.5 | L518 T519 E521 D534 C535 Q604 | L518-R602 HydrophobicContact CD2-CB 4.01Å; L518-R602 HydrophobicContact CD2-CG 4.48Å; T519-R602 VanDerWaalsContact O-CG 3.26Å; T519-R602 WeakPolarHBondContact O-CG 3.49Å; E521-R602 IonicContact OE1-NH1 3.36Å; E521-R602 PolarHBondContact OE1-NH1 3.33Å; E521-R602 WeakPolarHBondContact OE2-CD 3.46Å; E521-R602 IonicContact OE2-CZ 2.92Å; E521-R602 IonicContact OE2-NE 3.8Å; E521-R602 IonicContact OE2-NH1 3.81Å; E521-R602 PolarHBondContact OE2-NH1 3.15Å; D534-R602 IonicContact OD2-CZ 2.74Å; D534-R602 IonicContact OD2-NH2 3.6Å; D534-R602 PolarHBondContact OD2-NH2 2.7Å; C535-R602 PolarHBondContact O-N 3Å; R602-Q604 PolarHBondContact O-NE2 2.82Å |
| 603 | E | 90.5 | Very high | 82.2 | Confident | 71 Ų | 71 | 59.4 Ų | 59.4 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129.2 | 171.6 | -171.1 | -173.6 | -152.1 | 0 | 0 | 109.7 | H520 E521 Y586 | H520-E603 WeakPolarHBondContact CA-O 3.22Å; H520-E603 IonicContact CE1-OE2 3.58Å; H520-E603 PolarHBondContact CE1-OE2 2.83Å; H520-E603 IonicContact CG-OE2 2.67Å; H520-E603 IonicContact ND1-OE2 3.7Å; H520-E603 PolarHBondContact ND1-OE2 2.99Å; E521-E603 PolarHBondContact N-O 3.15Å; Y586-E603 WeakPolarHBondContact O-CA 3.38Å |
| 604 | Q | 92.5 | Very high | 83.5 | Confident | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 119.6 | -176.3 | -79.4 | 144.3 | 105.6 | 0 | 0 | 110.2 | E521 L533 D534 Y586 R602 | E521-Q604 HydrophobicContact CB-CG 4.1Å; E521-Q604 CarbonylContact O-C 3.31Å; E521-Q604 WeakPolarHBondContact O-CA 3.43Å; L533-Q604 VanDerWaalsContact CA-OE1 3.31Å; L533-Q604 HydrophobicContact CD2-CB 4.16Å; L533-Q604 HydrophobicContact CD2-CG 4.45Å; D534-Q604 PolarHBondContact O-NE2 2.9Å; Y586-Q604 PolarHBondContact N-O 2.83Å; Y586-Q604 PolarHBondContact O-N 2.85Å; R602-Q604 PolarHBondContact O-NE2 2.82Å |
| 605 | T | 92.3 | Very high | 84.4 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 126.9 | 173.9 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | H520 E521 E522 H523 Q585 I607 | H520-T605 PolarHBondContact CE1-OG1 2.79Å; H520-T605 PolarHBondContact NE2-OG1 3Å; E521-T605 PolarHBondContact O-N 2.91Å; E522-T605 CarbonylContact C-O 3.57Å; E522-T605 WeakPolarHBondContact CA-O 3.11Å; E522-T605 HydrophobicContact CG-CG2 4.36Å; H523-T605 PolarHBondContact N-O 2.78Å; Q585-T605 PolarHBondContact NE2-OG1 2.8Å; T605-I607 HydrophobicContact CG2-CD1 4.48Å; T605-I607 HydrophobicContact CG2-CG1 4.12Å |
| 606 | L | 91.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.8 | 178.9 | 174.2 | 58 | 0 | 0 | 0 | 110.2 | H523 I531 F575 L578 Q583 G584 Y586 V608 | H523-L606 HydrophobicContact CB-CD1 4.38Å; I531-L606 HydrophobicContact CD1-CD1 4.31Å; I531-L606 HydrophobicContact CG2-CD1 4.28Å; I531-L606 HydrophobicContact CG2-CD2 4.46Å; F575-L606 HydrophobicContact CE2-CD2 4.38Å; L578-L606 HydrophobicContact CD1-CD1 4.05Å; L578-L606 HydrophobicContact CD2-CD1 4.2Å; L578-L606 HydrophobicContact CD2-CD2 3.71Å; L578-L606 HydrophobicContact CD2-CG 4.4Å; Q583-L606 VanDerWaalsContact CA-O 3.3Å; Q583-L606 WeakPolarHBondContact CA-O 3.5Å; Q583-L606 WeakPolarHBondContact CG-O 3.47Å; G584-L606 PolarHBondContact N-O 3.13Å; G584-L606 PolarHBondContact O-N 2.9Å; Y586-L606 HydrophobicContact CD2-CB 4.18Å; Y586-L606 HydrophobicContact CE2-CB 4.13Å; Y586-L606 HydrophobicContact CE2-CD2 3.93Å; L606-V608 HydrophobicContact CG-CG2 4.42Å |
| 607 | I | 89.2 | Confident | 85.7 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 18% | 0.179 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 126.2 | 179.9 | -58.1 | 176.8 | 0 | 0 | 0 | 109.1 | E522 H523 A524 L525 T605 Y638 | E522-I607 HydrophobicContact CG-CD1 4.21Å; E522-I607 WeakPolarHBondContact OE1-CD1 3.33Å; H523-I607 PolarHBondContact O-N 3.48Å; A524-I607 WeakPolarHBondContact CA-O 3.2Å; A524-I607 HydrophobicContact CB-CB 4.21Å; L525-I607 PolarHBondContact N-O 2.83Å; T605-I607 HydrophobicContact CG2-CD1 4.48Å; T605-I607 HydrophobicContact CG2-CG1 4.12Å; I607-Y638 HydrophobicContact CG2-CE2 4.07Å |
| 608 | V | 87.5 | Confident | 86.2 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.03 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 117.9 | -175.9 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | E527 L578 Q583 L606 A610 | E527-V608 HydrophobicContact CB-CG1 4.21Å; L578-V608 HydrophobicContact CB-CG1 4.43Å; L578-V608 HydrophobicContact CB-CG2 4.27Å; L578-V608 HydrophobicContact CD2-CG2 4.34Å; Q583-V608 HydrophobicContact CB-CB 4.32Å; Q583-V608 HydrophobicContact CB-CG2 4.12Å; L606-V608 HydrophobicContact CG-CG2 4.42Å; V608-A610 PolarHBondContact O-N 2.94Å; V608-A610 VanDerWaalsContact O-N 3.08Å |
| 609 | K | 87.5 | Confident | 86.3 | Confident | 45 Ų | 45 | 52 Ų | 52 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 83.1 | -175.8 | -58.4 | 162.1 | -178.7 | 160.6 | 0 | 110.4 | A524 L525 E527 Y638 Y691 | A524-K609 WeakPolarHBondContact O-CE 3.36Å; A524-K609 PolarHBondContact O-NZ 3.2Å; L525-K609 WeakPolarHBondContact O-CB 3.19Å; L525-K609 VanDerWaalsContact O-CG 3.29Å; L525-K609 WeakPolarHBondContact O-CG 3.37Å; L525-K609 PolarHBondContact O-N 2.81Å; E527-K609 PolarHBondContact N-O 3.15Å; K609-Y638 HydrophobicContact CB-CD1 4.11Å; K609-Y638 HydrophobicContact CB-CD2 4.03Å; K609-Y638 HydrophobicContact CB-CE2 4.49Å; K609-Y638 HydrophobicContact CB-CG 3.81Å; K609-Y638 HydrophobicContact CD-CE1 4.39Å; K609-Y638 HydrophobicContact CG-CD1 3.95Å; K609-Y638 HydrophobicContact CG-CD2 3.85Å; K609-Y638 HydrophobicContact CG-CE1 3.91Å; K609-Y638 HydrophobicContact CG-CE2 3.8Å; K609-Y638 HydrophobicContact CG-CG 3.91Å; K609-Y691 HydrophobicContact CB-CE1 4Å |
| 610 | A | 83.5 | Confident | 86.2 | Confident | 13 Ų | 13 | 56 Ų | 56 | 11% | 0.107 | 26% | 0.259 | C | S | . | . | trans | -57.5 | 144.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | E527 P580 V608 Y638 | E527-A610 WeakPolarHBondContact OE2-CA 3.32Å; P580-A610 HydrophobicContact CB-CB 4.16Å; P580-A610 HydrophobicContact CG-CB 3.87Å; V608-A610 PolarHBondContact O-N 2.94Å; V608-A610 VanDerWaalsContact O-N 3.08Å; A610-Y638 WeakPolarHBondContact O-CB 3.33Å; A610-Y638 PolarHBondContact O-N 3.15Å | ||
| 611 | K | 85.4 | Confident | 86.2 | Confident | 95 Ų | 95 | 55.5 Ų | 55.5 | 41% | 0.413 | 25% | 0.251 | S | S | . | . | trans | -73.8 | 150.6 | 177.9 | -66.5 | 158.7 | -172.4 | 173.4 | 0 | 111.2 | E527 D528 Q613 G637 | E527-K611 WeakPolarHBondContact OE2-CB 3.31Å; E527-K611 WeakPolarHBondContact OE2-CG 3.41Å; E527-K611 PolarHBondContact OE2-N 3.38Å; D528-K611 IonicContact OD2-NZ 3.18Å; D528-K611 PolarHBondContact OD2-NZ 3.02Å; K611-Q613 PolarHBondContact O-N 2.76Å; K611-G637 WeakPolarHBondContact O-CA 3.24Å | ||
| 612 | L | 90.2 | Very high | 86 | Confident | 24 Ų | 24 | 57.2 Ų | 57.2 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | trans | -75.4 | 115.8 | 178 | -180 | 63.7 | 0 | 0 | 0 | 110.3 | A635 R636 V641 A694 I696 | L612-A635 HydrophobicContact CD1-CB 4.36Å; L612-R636 CarbonylContact C-O 3.47Å; L612-R636 VanDerWaalsContact CA-O 3.3Å; L612-R636 WeakPolarHBondContact CA-O 3.27Å; L612-V641 HydrophobicContact CD1-CG1 4.04Å; L612-V641 HydrophobicContact CD1-CG2 4.24Å; L612-A694 HydrophobicContact CB-CB 4Å; L612-A694 VanDerWaalsContact CD2-C 3.5Å; L612-A694 HydrophobicContact CD2-CB 3.7Å; L612-A694 VanDerWaalsContact CD2-O 3.28Å; L612-A694 WeakPolarHBondContact CD2-O 3.43Å; L612-I696 HydrophobicContact CD1-CD1 4.5Å; L612-I696 HydrophobicContact CD2-CG1 4.21Å; L612-I696 HydrophobicContact CG-CD1 3.99Å; L612-I696 HydrophobicContact CG-CG1 4.07Å | ||
| 613 | Q | 87.9 | Confident | 85.9 | Confident | 75 Ų | 75 | 55.5 Ų | 55.5 | 35% | 0.35 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 147.9 | -176.2 | -69.1 | 174.1 | -16.1 | 0 | 0 | 110.7 | K611 A635 R636 I696 | K611-Q613 PolarHBondContact O-N 2.76Å; Q613-A635 CarbonylContact O-C 3.34Å; Q613-A635 WeakPolarHBondContact O-CA 3.32Å; Q613-A635 WeakPolarHBondContact O-CB 3.11Å; Q613-R636 HydrophobicContact CB-CG 4.23Å; Q613-R636 PolarHBondContact N-O 2.7Å; Q613-R636 PolarHBondContact O-N 2.92Å; Q613-R636 VanDerWaalsContact OE1-NE 3.13Å; Q613-I696 VanDerWaalsContact C-CD1 3.45Å |
| 614 | F | 88.2 | Confident | 85.6 | Confident | 17 Ų | 17 | 54.6 Ų | 54.6 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 146 | 167.6 | -68.1 | -66.9 | 0 | 0 | 0 | 110.1 | E617 C633 A635 A687 I696 N697 M698 | F614-E617 HydrophobicContact CB-CG 3.71Å; F614-E617 HydrophobicContact CD2-CG 3.99Å; F614-E617 WeakPolarHBondContact CD2-OE1 3.45Å; F614-E617 HydrophobicContact CG-CG 4.19Å; F614-C633 WeakPolarHBondContact CE1-SG 3.34Å; F614-A635 HydrophobicContact CD1-CB 4.18Å; F614-A687 HydrophobicContact CD1-CB 4.36Å; F614-A687 HydrophobicContact CE1-CB 3.66Å; F614-A687 HydrophobicContact CZ-CB 4.18Å; F614-I696 HydrophobicContact CD1-CD1 4.23Å; F614-I696 HydrophobicContact CD2-CD1 3.61Å; F614-I696 HydrophobicContact CD2-CG1 4.1Å; F614-I696 HydrophobicContact CE1-CD1 4.3Å; F614-I696 HydrophobicContact CE1-CG1 4.26Å; F614-I696 HydrophobicContact CE2-CB 3.97Å; F614-I696 HydrophobicContact CE2-CD1 3.7Å; F614-I696 HydrophobicContact CE2-CG1 3.63Å; F614-I696 HydrophobicContact CG-CD1 3.89Å; F614-I696 HydrophobicContact CZ-CB 4.36Å; F614-I696 HydrophobicContact CZ-CD1 4.06Å; F614-I696 HydrophobicContact CZ-CG1 3.73Å; F614-N697 VanDerWaalsContact CE2-C 3.48Å; F614-M698 HydrophobicContact CD2-CB 4.14Å; F614-M698 HydrophobicContact CE1-CB 4.37Å; F614-M698 HydrophobicContact CE2-CB 3.64Å; F614-M698 HydrophobicContact CZ-CB 3.77Å |
| 615 | L | 79.5 | Confident | 85.3 | Confident | 104 Ų | 104 | 55.9 Ų | 55.9 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -81.4 | -19.1 | 176.2 | -75.1 | 176.8 | 0 | 0 | 0 | 113 | K634 R636 | L615-K634 HydrophobicContact CB-CB 4.23Å; L615-K634 HydrophobicContact CD1-CB 3.97Å; L615-K634 HydrophobicContact CG-CB 4.5Å; L615-K634 PolarHBondContact N-O 3.04Å; L615-R636 HydrophobicContact CD2-CB 3.93Å; L615-R636 HydrophobicContact CD2-CG 3.94Å; L615-R636 HydrophobicContact CG-CB 4.33Å |
| 616 | R | 74.3 | Confident | 84.8 | Confident | 101 Ų | 101 | 58.8 Ų | 58.8 | 38% | 0.381 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -160.1 | 128.3 | 172.5 | 176 | 175.1 | 161.6 | -179.9 | -5.4 | 108.4 | F618 E1279 | R616-F618 HydrophobicContact CG-CD1 4.4Å; R616-E1279 IonicContact CZ-OE2 2.86Å; R616-E1279 IonicContact NH1-OE1 2.79Å; R616-E1279 IonicContact NH1-OE2 2.7Å; R616-E1279 PolarHBondContact NH1-OE2 2.85Å |
| 617 | E | 79.5 | Confident | 84.6 | Confident | 138 Ų | 138 | 63.9 Ų | 63.9 | 65% | 0.645 | 29% | 0.294 | S | S | * | . | trans | -105.9 | 146.6 | 173.7 | -65.2 | -173.4 | -159.7 | 0 | 0 | 111 | F614 M698 | F614-E617 HydrophobicContact CB-CG 3.71Å; F614-E617 HydrophobicContact CD2-CG 3.99Å; F614-E617 WeakPolarHBondContact CD2-OE1 3.45Å; F614-E617 HydrophobicContact CG-CG 4.19Å; E617-M698 HydrophobicContact CB-SD 4.16Å; E617-M698 HydrophobicContact CG-SD 4.3Å | ||
| 618 | F | 78.6 | Confident | 84.5 | Confident | 29 Ų | 29 | 65.9 Ų | 65.9 | 13% | 0.127 | 30% | 0.303 | C | S | . | . | trans | -156.9 | 140.3 | 177.8 | 53.6 | -79 | 0 | 0 | 0 | 110.7 | R616 H621 I631 P632 M698 V700 | R616-F618 HydrophobicContact CG-CD1 4.4Å; F618-H621 HydrophobicContact CD2-CB 4.31Å; F618-H621 HydrophobicContact CE2-CB 4.04Å; F618-H621 AromaticContact CE2-ND1 3.46Å; F618-H621 WeakPolarHBondContact CE2-ND1 3.43Å; F618-I631 HydrophobicContact CE2-CG2 3.85Å; F618-I631 HydrophobicContact CZ-CG2 3.9Å; F618-P632 VanDerWaalsContact CE1-O 3.27Å; F618-P632 WeakPolarHBondContact CE1-O 3.34Å; F618-P632 VanDerWaalsContact CZ-O 3.24Å; F618-P632 WeakPolarHBondContact CZ-O 3.44Å; F618-M698 HydrophobicContact CD1-CE 4.48Å; F618-M698 HydrophobicContact CD1-SD 4.07Å; F618-M698 HydrophobicContact CE1-CE 4.03Å; F618-M698 HydrophobicContact CE1-SD 4.21Å; F618-V700 HydrophobicContact CD2-CG1 3.86Å; F618-V700 HydrophobicContact CD2-CG2 4.01Å; F618-V700 HydrophobicContact CE2-CB 4.34Å; F618-V700 HydrophobicContact CE2-CG1 3.6Å; F618-V700 HydrophobicContact CE2-CG2 3.72Å; F618-V700 HydrophobicContact CZ-CG2 4.16Å | ||
| 619 | R | 83.7 | Confident | 84.4 | Confident | 192 Ų | 192 | 65.8 Ų | 65.8 | 73% | 0.725 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -91.6 | -25.6 | -176.5 | -65.1 | -174.2 | -179.1 | -170.5 | 0.4 | 114.2 | S701 | R619-S701 PolarHBondContact O-N 2.97Š|
| 620 | E | 83.3 | Confident | 84.5 | Confident | 109 Ų | 109 | 66.7 Ų | 66.7 | 51% | 0.509 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 152.2 | -179.3 | -66.1 | -171.8 | 132.8 | 0 | 0 | 111.1 | S701 I703 | E620-S701 CarbonylContact C-O 3.56Å; E620-S701 VanDerWaalsContact CA-O 3.31Å; E620-S701 WeakPolarHBondContact CA-O 3.48Å; E620-I703 HydrophobicContact CB-CD1 4.49Å; E620-I703 HydrophobicContact CG-CD1 4.43Å |
| 621 | H | 87.1 | Confident | 84.9 | Confident | 42 Ų | 42 | 66.1 Ų | 66.1 | 19% | 0.194 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 123.6 | 174.1 | -160.8 | 94.4 | 0 | 0 | 0 | 111.6 | F618 R630 V700 S701 V702 I703 | F618-H621 HydrophobicContact CD2-CB 4.31Å; F618-H621 HydrophobicContact CE2-CB 4.04Å; F618-H621 AromaticContact CE2-ND1 3.46Å; F618-H621 WeakPolarHBondContact CE2-ND1 3.43Å; H621-R630 PolarHBondContact NE2-O 2.93Å; H621-V700 HydrophobicContact CB-CG1 3.64Å; H621-S701 PolarHBondContact N-O 3.02Å; H621-V702 WeakPolarHBondContact O-CA 3.45Å; H621-I703 PolarHBondContact O-N 3.3Å |
| 622 | F | 84.6 | Confident | 85.1 | Confident | 39 Ų | 39 | 64.1 Ų | 64.1 | 17% | 0.171 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 134.3 | 178.5 | -179.4 | -91.8 | 0 | 0 | 0 | 111.7 | E624 I703 H858 I860 | F622-E624 HydrophobicContact CE1-CB 4.48Å; F622-I703 CarbonylContact C-O 3.42Å; F622-I703 WeakPolarHBondContact CA-O 3.3Å; F622-I703 HydrophobicContact CD2-CB 4.48Å; F622-I703 HydrophobicContact CD2-CG2 4.23Å; F622-H858 HydrophobicContact CB-CB 4.06Å; F622-H858 HydrophobicContact CD2-CB 4.34Å; F622-H858 AromaticContact CD2-CE1 3.64Å; F622-H858 AromaticContact CD2-CG 3.82Å; F622-H858 AromaticContact CD2-ND1 3.18Å; F622-H858 WeakPolarHBondContact CD2-ND1 3.44Å; F622-H858 AromaticContact CE2-ND1 3.64Å; F622-H858 HydrophobicContact CG-CB 4.24Å; F622-H858 AromaticContact CG-ND1 3.93Å; F622-I860 HydrophobicContact CD1-CD1 3.57Å; F622-I860 HydrophobicContact CE1-CD1 3.53Å; F622-I860 HydrophobicContact CG-CD1 4.37Å; F622-I860 HydrophobicContact CZ-CD1 4.3Å |
| 623 | L | 86.6 | Confident | 85.1 | Confident | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.5 | 174.1 | -60 | 179.4 | 0 | 0 | 0 | 110.3 | I631 I672 V675 V702 I703 V704 G705 | L623-I631 HydrophobicContact CD1-CD1 4.32Å; L623-I631 HydrophobicContact CD1-CG1 4.42Å; L623-I631 HydrophobicContact CD2-CG1 4.46Å; L623-I672 HydrophobicContact CD1-CD1 3.92Å; L623-V675 HydrophobicContact CB-CG1 3.79Å; L623-V675 HydrophobicContact CB-CG2 4.11Å; L623-V675 HydrophobicContact CD1-CG1 4.46Å; L623-V675 HydrophobicContact CD1-CG2 3.95Å; L623-V702 HydrophobicContact CD1-CG1 3.59Å; L623-V702 HydrophobicContact CG-CG1 4.07Å; L623-I703 PolarHBondContact N-O 2.75Å; L623-V704 HydrophobicContact CB-CG2 4.48Å; L623-V704 WeakPolarHBondContact O-CA 3.47Å; L623-G705 PolarHBondContact O-N 3.49Å |
| 624 | E | 84.3 | Confident | 85 | Confident | 52 Ų | 52 | 65.6 Ų | 65.6 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 132.1 | 175.7 | -177.2 | 163.4 | -156.8 | 0 | 0 | 110.8 | F622 M627 G705 K707 | F622-E624 HydrophobicContact CE1-CB 4.48Å; E624-M627 HydrophobicContact CB-CB 4.34Å; E624-M627 HydrophobicContact CB-CG 4Å; E624-M627 HydrophobicContact CG-CG 3.85Å; E624-M627 WeakPolarHBondContact O-CB 3.25Å; E624-M627 PolarHBondContact O-N 3.37Å; E624-G705 WeakPolarHBondContact CA-O 3.47Å; E624-K707 WeakPolarHBondContact OE1-CG 3.48Å; E624-K707 IonicContact OE1-NZ 2.72Å; E624-K707 PolarHBondContact OE1-NZ 2.91Å; E624-K707 IonicContact OE2-NZ 2.89Å; E624-K707 PolarHBondContact OE2-NZ 3.38Å |
| 625 | I | 85.6 | Confident | 85 | Confident | 30 Ų | 30 | 65.8 Ų | 65.8 | 15% | 0.154 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 144.7 | 179.6 | -163.7 | 175.9 | 0 | 0 | 0 | 111.6 | M627 K677 V704 G705 E706 | I625-M627 PolarHBondContact O-N 2.62Å; I625-M627 VanDerWaalsContact O-N 3.14Å; I625-K677 HydrophobicContact CD1-CD 4.49Å; I625-K677 HydrophobicContact CD1-CG 3.82Å; I625-V704 HydrophobicContact CB-CG1 4.12Å; I625-V704 HydrophobicContact CG1-CG1 4.31Å; I625-G705 PolarHBondContact N-O 2.78Å; I625-E706 HydrophobicContact CG2-CG 3.77Å |
| 626 | N | 83.7 | Confident | 85.3 | Confident | 81 Ų | 81 | 66 Ų | 66 | 43% | 0.433 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 4.7 | -177.3 | -47.8 | -49.7 | 0 | 0 | 0 | 115.4 | Y674 V675 Q676 | N626-Y674 HydrophobicContact CB-CE2 3.88Å; N626-Y674 WeakPolarHBondContact O-CE2 3.49Å; N626-Y674 PolarHBondContact OD1-OH 2.82Å; N626-V675 PolarHBondContact N-O 3.27Å; N626-Q676 PolarHBondContact OD1-NE2 2.99Å |
| 627 | M | 85.6 | Confident | 85.7 | Confident | 107 Ų | 107 | 62.2 Ų | 62.2 | 53% | 0.527 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -99 | 169.6 | 174 | -62.9 | -70.1 | -75.7 | 0 | 0 | 111.4 | E624 I625 V675 | E624-M627 HydrophobicContact CB-CB 4.34Å; E624-M627 HydrophobicContact CB-CG 4Å; E624-M627 HydrophobicContact CG-CG 3.85Å; E624-M627 WeakPolarHBondContact O-CB 3.25Å; E624-M627 PolarHBondContact O-N 3.37Å; I625-M627 PolarHBondContact O-N 2.62Å; I625-M627 VanDerWaalsContact O-N 3.14Å; M627-V675 WeakPolarHBondContact O-CB 3.31Å; M627-V675 VanDerWaalsContact O-CG2 3.32Å; M627-V675 WeakPolarHBondContact O-CG2 3.27Å; M627-V675 PolarHBondContact O-N 3.14Å |
| 628 | Q | 88.2 | Confident | 86 | Confident | 77 Ų | 77 | 59.9 Ų | 59.9 | 36% | 0.36 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 121.2 | 167.5 | -174.8 | -173.7 | 72.8 | 0 | 0 | 109.6 | R630 I671 I672 | Q628-R630 HydrophobicContact CG-CG 4.39Å; Q628-I671 HydrophobicContact CG-CG2 3.9Å; Q628-I672 CarbonylContact C-O 3.56Å |
| 629 | G | 85.2 | Confident | 86.3 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 141.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I671 I672 V675 | G629-I671 CarbonylContact O-C 3.4Å; G629-I671 WeakPolarHBondContact O-CA 3.35Å; G629-I672 PolarHBondContact N-O 2.87Å; G629-I672 PolarHBondContact O-N 3.41Å; G629-V675 VanDerWaalsContact N-CG2 3.34Å |
| 630 | R | 89.9 | Confident | 86.4 | Confident | 65 Ų | 65 | 55.6 Ų | 55.6 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 108.8 | -175.7 | -56.1 | -172.4 | 77.3 | -169.3 | 0.7 | 111.1 | H621 Q628 P632 T669 L670 I671 T1155 | H621-R630 PolarHBondContact NE2-O 2.93Å; Q628-R630 HydrophobicContact CG-CG 4.39Å; R630-P632 WeakPolarHBondContact O-CD 3.1Å; R630-T669 HydrophobicContact CB-CG2 4.14Å; R630-L670 CarbonylContact C-O 3.52Å; R630-L670 WeakPolarHBondContact CA-O 3.38Å; R630-I671 HydrophobicContact CG-CG1 4.32Å; R630-I671 HydrophobicContact CG-CG2 4.41Å; R630-T1155 PolarHBondContact NH1-OG1 2.85Å; R630-T1155 PolarHBondContact NH2-OG1 3.25Å; R630-T1155 VanDerWaalsContact NH2-OG1 3.13Å |
| 631 | I | 91.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 104.5 | -173.8 | -49.9 | 159.7 | 0 | 0 | 0 | 108.1 | F618 L623 W645 T669 L670 I672 V700 V702 | F618-I631 HydrophobicContact CE2-CG2 3.85Å; F618-I631 HydrophobicContact CZ-CG2 3.9Å; L623-I631 HydrophobicContact CD1-CD1 4.32Å; L623-I631 HydrophobicContact CD1-CG1 4.42Å; L623-I631 HydrophobicContact CD2-CG1 4.46Å; I631-W645 HydrophobicContact CB-CH2 4.23Å; I631-W645 HydrophobicContact CB-CZ2 4.28Å; I631-W645 HydrophobicContact CG2-CH2 3.45Å; I631-W645 VanDerWaalsContact CG2-CH2 3.45Å; I631-W645 HydrophobicContact CG2-CZ2 3.84Å; I631-W645 HydrophobicContact CG2-CZ3 4.32Å; I631-W645 WeakPolarHBondContact O-CZ2 3.46Å; I631-T669 WeakPolarHBondContact O-CA 3.33Å; I631-L670 HydrophobicContact CB-CB 4.36Å; I631-L670 HydrophobicContact CD1-CD2 3.96Å; I631-L670 HydrophobicContact CD1-CG 4.29Å; I631-L670 PolarHBondContact N-O 2.73Å; I631-L670 PolarHBondContact O-N 3.34Å; I631-I672 HydrophobicContact CD1-CD1 4.16Å; I631-V700 HydrophobicContact CG2-CG1 4.22Å; I631-V702 HydrophobicContact CD1-CG2 3.46Å; I631-V702 VanDerWaalsContact CD1-CG2 3.46Å; I631-V702 HydrophobicContact CG1-CG2 4.48Å |
| 632 | P | 89.6 | Confident | 86.7 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 34% | 0.344 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 135.2 | -172.6 | 31.8 | -34.3 | 0 | 0 | 0 | 112.1 | F618 R630 T669 | F618-P632 VanDerWaalsContact CE1-O 3.27Å; F618-P632 WeakPolarHBondContact CE1-O 3.34Å; F618-P632 VanDerWaalsContact CZ-O 3.24Å; F618-P632 WeakPolarHBondContact CZ-O 3.44Å; R630-P632 WeakPolarHBondContact O-CD 3.1Å; P632-T669 HydrophobicContact CB-CG2 4.48Å |
| 633 | C | 89.4 | Confident | 87 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | trans | -130.2 | 129.8 | 165.2 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | F614 V643 W645 G668 C685 M698 | F614-C633 WeakPolarHBondContact CE1-SG 3.34Å; C633-V643 HydrophobicContact CB-CG1 4.1Å; C633-W645 HydrophobicContact CB-CH2 4.41Å; C633-W645 HydrophobicContact CB-CZ2 3.48Å; C633-W645 VanDerWaalsContact CB-CZ2 3.48Å; C633-G668 WeakPolarHBondContact CA-O 3.47Å; C633-G668 WeakPolarHBondContact CB-O 3.4Å; C633-G668 PolarHBondContact N-O 3.03Å; C633-G668 CarbonylContact O-C 3.54Å; C633-G668 WeakPolarHBondContact O-CA 3.42Å; C633-C685 HydrophobicContact CB-CB 3.76Å; C633-C685 WeakPolarHBondContact CB-SG 3.39Å; C633-C685 WeakPolarHBondContact SG-CB 3.49Å; C633-C685 CovalentContact SG-SG 2.03Å; C633-C685 PolarHBondContact SG-SG 3.01Å; C633-M698 HydrophobicContact CB-CE 4.07Å; C633-M698 VanDerWaalsContact SG-CE 3.53Å | ||
| 634 | K | 87 | Confident | 87.2 | Confident | 129 Ų | 129 | 56.1 Ų | 56.1 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | trans | -137.9 | 143.7 | 178.1 | -58 | 179 | -177 | 173.1 | 0 | 108.9 | L615 | L615-K634 HydrophobicContact CB-CB 4.23Å; L615-K634 HydrophobicContact CD1-CB 3.97Å; L615-K634 HydrophobicContact CG-CB 4.5Å; L615-K634 PolarHBondContact N-O 3.04Å | ||
| 635 | A | 86.8 | Confident | 87.6 | Confident | 20 Ų | 20 | 54.1 Ų | 54.1 | 17% | 0.165 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | L612 Q613 F614 V641 A687 | L612-A635 HydrophobicContact CD1-CB 4.36Å; Q613-A635 CarbonylContact O-C 3.34Å; Q613-A635 WeakPolarHBondContact O-CA 3.32Å; Q613-A635 WeakPolarHBondContact O-CB 3.11Å; F614-A635 HydrophobicContact CD1-CB 4.18Å; A635-V641 HydrophobicContact CB-CG1 4.07Å; A635-A687 HydrophobicContact CB-CB 3.57Å |
| 636 | R | 85.9 | Confident | 87.9 | Confident | 108 Ų | 108 | 54.3 Ų | 54.3 | 41% | 0.408 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 155.4 | 171.5 | 66.2 | 175.7 | -173.6 | 177 | 5.5 | 110.1 | L612 Q613 L615 | L612-R636 CarbonylContact C-O 3.47Å; L612-R636 VanDerWaalsContact CA-O 3.3Å; L612-R636 WeakPolarHBondContact CA-O 3.27Å; Q613-R636 HydrophobicContact CB-CG 4.23Å; Q613-R636 PolarHBondContact N-O 2.7Å; Q613-R636 PolarHBondContact O-N 2.92Å; Q613-R636 VanDerWaalsContact OE1-NE 3.13Å; L615-R636 HydrophobicContact CD2-CB 3.93Å; L615-R636 HydrophobicContact CD2-CG 3.94Å; L615-R636 HydrophobicContact CG-CB 4.33Å |
| 637 | G | 84.3 | Confident | 88.2 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | trans | 163 | 159.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K611 | K611-G637 WeakPolarHBondContact O-CA 3.24Š| ||
| 638 | Y | 84.5 | Confident | 88.2 | Confident | 89 Ų | 89 | 54.3 Ų | 54.3 | 35% | 0.349 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -70.8 | 155.6 | 171.4 | -169.1 | -101.9 | 0 | 0 | 0 | 110.9 | I607 K609 A610 S689 Y691 | I607-Y638 HydrophobicContact CG2-CE2 4.07Å; K609-Y638 HydrophobicContact CB-CD1 4.11Å; K609-Y638 HydrophobicContact CB-CD2 4.03Å; K609-Y638 HydrophobicContact CB-CE2 4.49Å; K609-Y638 HydrophobicContact CB-CG 3.81Å; K609-Y638 HydrophobicContact CD-CE1 4.39Å; K609-Y638 HydrophobicContact CG-CD1 3.95Å; K609-Y638 HydrophobicContact CG-CD2 3.85Å; K609-Y638 HydrophobicContact CG-CE1 3.91Å; K609-Y638 HydrophobicContact CG-CE2 3.8Å; K609-Y638 HydrophobicContact CG-CG 3.91Å; A610-Y638 WeakPolarHBondContact O-CB 3.33Å; A610-Y638 PolarHBondContact O-N 3.15Å; Y638-S689 PolarHBondContact O-OG 3.42Å; Y638-Y691 AromaticContact CD1-CD1 3.91Å; Y638-Y691 HydrophobicContact CD1-CD1 3.91Å; Y638-Y691 AromaticContact CD1-CD2 3.73Å; Y638-Y691 HydrophobicContact CD1-CD2 3.73Å; Y638-Y691 HydrophobicContact CD1-CE1 4.29Å; Y638-Y691 HydrophobicContact CD1-CE2 4.16Å; Y638-Y691 AromaticContact CD1-CG 3.62Å; Y638-Y691 HydrophobicContact CD1-CG 3.62Å; Y638-Y691 HydrophobicContact CE1-CD2 4.2Å; Y638-Y691 HydrophobicContact CE1-CE2 4.43Å; Y638-Y691 HydrophobicContact CG-CD1 4.39Å; Y638-Y691 HydrophobicContact CG-CG 4.44Å; Y638-Y691 VanDerWaalsContact O-CB 3.24Å; Y638-Y691 WeakPolarHBondContact O-CB 3.25Å |
| 639 | G | 84.9 | Confident | 87.4 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 82.1 | -169.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V641 | G639-V641 PolarHBondContact O-N 2.82Š|
| 640 | T | 85.6 | Confident | 86.4 | Confident | 91 Ų | 91 | 56.9 Ų | 56.9 | 56% | 0.558 | 30% | 0.296 | S | S | * | . | trans | -82.3 | 105.6 | 177.4 | -51.1 | 0 | 0 | 0 | 0 | 108.9 | S689 T690 | T640-S689 WeakPolarHBondContact O-CA 3.49Å; T640-T690 PolarHBondContact N-OG1 3.1Å; T640-T690 PolarHBondContact O-N 3.12Å | ||
| 641 | V | 87.3 | Confident | 85 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 126.4 | 176 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | L612 A635 G639 K688 | L612-V641 HydrophobicContact CD1-CG1 4.04Å; L612-V641 HydrophobicContact CD1-CG2 4.24Å; A635-V641 HydrophobicContact CB-CG1 4.07Å; G639-V641 PolarHBondContact O-N 2.82Å; V641-K688 CarbonylContact C-O 3.59Å; V641-K688 VanDerWaalsContact CA-O 3.25Å; V641-K688 WeakPolarHBondContact CA-O 3.45Å |
| 642 | T | 90.5 | Very high | 83.5 | Confident | 64 Ų | 64 | 68.7 Ų | 68.7 | 39% | 0.393 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 152.3 | 171.9 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | A687 K688 | T642-A687 CarbonylContact O-C 3.55Å; T642-A687 VanDerWaalsContact O-CA 3.29Å; T642-A687 WeakPolarHBondContact O-CA 3.5Å; T642-K688 PolarHBondContact N-O 2.53Å; T642-K688 PolarHBondContact O-N 3.13Å |
| 643 | V | 90.8 | Very high | 81.9 | Confident | 35 Ų | 35 | 68.2 Ų | 68.2 | 21% | 0.212 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 122.6 | -179.5 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | C633 C685 V686 A687 | C633-V643 HydrophobicContact CB-CG1 4.1Å; V643-C685 WeakPolarHBondContact CG1-SG 3.49Å; V643-V686 WeakPolarHBondContact CA-O 3.36Å; V643-A687 HydrophobicContact CG2-CB 4.3Å |
| 644 | E | 90.3 | Very high | 80.1 | Confident | 65 Ų | 65 | 76.7 Ų | 76.7 | 30% | 0.304 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 149 | 179.5 | -68.2 | 164.2 | -152.4 | 0 | 0 | 109.8 | F646 C685 V686 K688 | E644-F646 HydrophobicContact CB-CE2 3.75Å; E644-F646 HydrophobicContact CB-CZ 4.11Å; E644-F646 WeakPolarHBondContact OE2-CZ 3.39Å; E644-C685 CarbonylContact O-C 3.49Å; E644-C685 WeakPolarHBondContact O-CA 3.4Å; E644-V686 HydrophobicContact CB-CB 4.49Å; E644-V686 PolarHBondContact N-O 3.41Å; E644-V686 PolarHBondContact O-N 3.29Å; E644-K688 IonicContact OE1-NZ 3.93Å; E644-K688 PolarHBondContact OE1-NZ 3.02Å; E644-K688 IonicContact OE2-NZ 2.75Å; E644-K688 PolarHBondContact OE2-NZ 2.87Å |
| 645 | W | 93.3 | Very high | 79.1 | Confident | 10 Ų | 10 | 72.4 Ų | 72.4 | 4% | 0.038 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 149 | 171.9 | -79.4 | 92.1 | 0 | 0 | 0 | 111.4 | I631 C633 I659 V665 G668 L670 V684 C685 V700 | I631-W645 HydrophobicContact CB-CH2 4.23Å; I631-W645 HydrophobicContact CB-CZ2 4.28Å; I631-W645 HydrophobicContact CG2-CH2 3.45Å; I631-W645 VanDerWaalsContact CG2-CH2 3.45Å; I631-W645 HydrophobicContact CG2-CZ2 3.84Å; I631-W645 HydrophobicContact CG2-CZ3 4.32Å; I631-W645 WeakPolarHBondContact O-CZ2 3.46Å; C633-W645 HydrophobicContact CB-CH2 4.41Å; C633-W645 HydrophobicContact CB-CZ2 3.48Å; C633-W645 VanDerWaalsContact CB-CZ2 3.48Å; W645-I659 HydrophobicContact CB-CD1 4.32Å; W645-I659 HydrophobicContact CB-CG1 3.96Å; W645-I659 WeakPolarHBondContact O-CG1 3.25Å; W645-V665 HydrophobicContact CB-CG2 3.78Å; W645-V665 HydrophobicContact CG-CG2 4.24Å; W645-G668 PolarHBondContact NE1-O 3.01Å; W645-L670 HydrophobicContact CB-CB 4.41Å; W645-L670 HydrophobicContact CD2-CB 3.77Å; W645-L670 HydrophobicContact CD2-CD2 4.14Å; W645-L670 HydrophobicContact CE3-CB 4.4Å; W645-L670 HydrophobicContact CE3-CD2 4.01Å; W645-L670 HydrophobicContact CG-CB 3.8Å; W645-L670 HydrophobicContact CG-CD2 4.43Å; W645-L670 HydrophobicContact CZ2-CB 4.33Å; W645-V684 WeakPolarHBondContact CA-O 3.37Å; W645-C685 HydrophobicContact CD2-CB 4.02Å; W645-C685 HydrophobicContact CE3-CB 4.02Å; W645-C685 HydrophobicContact CH2-CB 4.02Å; W645-C685 HydrophobicContact CZ2-CB 4.04Å; W645-C685 HydrophobicContact CZ3-CB 4Å; W645-V700 HydrophobicContact CH2-CG2 3.97Å; W645-V700 HydrophobicContact CZ3-CB 4.49Å; W645-V700 HydrophobicContact CZ3-CG2 4.24Å |
| 646 | F | 91.4 | Very high | 78.8 | Confident | 35 Ų | 35 | 75.3 Ų | 75.3 | 15% | 0.154 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 152.7 | 175.1 | -55.1 | -90.7 | 0 | 0 | 0 | 109.7 | E644 L656 Q657 Y683 V684 V686 | E644-F646 HydrophobicContact CB-CE2 3.75Å; E644-F646 HydrophobicContact CB-CZ 4.11Å; E644-F646 WeakPolarHBondContact OE2-CZ 3.39Å; F646-L656 HydrophobicContact CB-CB 3.73Å; F646-L656 HydrophobicContact CB-CD1 4.4Å; F646-L656 HydrophobicContact CB-CD2 4.23Å; F646-L656 HydrophobicContact CB-CG 4.34Å; F646-L656 HydrophobicContact CD1-CB 3.78Å; F646-L656 HydrophobicContact CD2-CB 4.46Å; F646-L656 HydrophobicContact CD2-CD1 3.98Å; F646-L656 HydrophobicContact CE2-CD1 4.45Å; F646-L656 HydrophobicContact CG-CB 3.73Å; F646-L656 HydrophobicContact CG-CD1 4.08Å; F646-L656 HydrophobicContact CG-CG 4.41Å; F646-Q657 CarbonylContact C-O 3.34Å; F646-Q657 WeakPolarHBondContact CA-O 3.38Å; F646-Y683 CarbonylContact O-C 3.51Å; F646-Y683 WeakPolarHBondContact O-CA 3.38Å; F646-V684 PolarHBondContact N-O 3.33Å; F646-V684 PolarHBondContact O-N 3.07Å; F646-V686 HydrophobicContact CD2-CG2 3.96Å; F646-V686 HydrophobicContact CE2-CB 4.16Å; F646-V686 HydrophobicContact CE2-CG2 3.81Å |
| 647 | R | 90.7 | Very high | 78.6 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 133.9 | 160.2 | -164.6 | 178.6 | -171.1 | 167.7 | 5.7 | 107.5 | G649 Q657 H678 A680 Y683 | R647-G649 PolarHBondContact O-N 2.88Å; R647-Q657 PolarHBondContact N-O 2.8Å; R647-Q657 PolarHBondContact O-N 3.38Å; R647-H678 PolarHBondContact NH1-O 2.66Å; R647-H678 PolarHBondContact NH2-O 3.06Å; R647-A680 PolarHBondContact NH2-O 3.33Å; R647-Y683 HydrophobicContact CB-CD1 4.05Å; R647-Y683 HydrophobicContact CB-CE1 3.89Å; R647-Y683 HydrophobicContact CG-CD1 4.16Å; R647-Y683 HydrophobicContact CG-CE1 3.83Å; R647-Y683 HydrophobicContact CG-CE2 4.35Å |
| 648 | K | 85.3 | Confident | 78.7 | Confident | 106 Ų | 106 | 78.1 Ų | 78.1 | 46% | 0.461 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 126.4 | 169.8 | -163.4 | 179.8 | 179.8 | 177.9 | 0 | 106.9 | D682 V684 | K648-D682 HydrophobicContact CB-CB 3.66Å; K648-D682 WeakPolarHBondContact CB-O 3.47Å; K648-D682 HydrophobicContact CD-CB 3.41Å; K648-D682 VanDerWaalsContact CD-CB 3.41Å; K648-D682 WeakPolarHBondContact CD-OD2 3.27Å; K648-D682 WeakPolarHBondContact CE-OD2 3.46Å; K648-D682 HydrophobicContact CG-CB 4.23Å; K648-D682 PolarHBondContact N-O 3.42Å; K648-D682 IonicContact NZ-OD2 3.96Å; K648-D682 PolarHBondContact NZ-OD2 3.33Å; K648-V684 HydrophobicContact CB-CG2 4.44Å |
| 649 | G | 70.5 | Confident | 78.8 | Confident | 14 Ų | 14 | 75 Ų | 75 | 14% | 0.144 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 162.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R647 S653 G655 | R647-G649 PolarHBondContact O-N 2.88Å; G649-S653 WeakPolarHBondContact CA-OG 3.33Å; G649-G655 PolarHBondContact N-O 2.95Å |
| 650 | D | 65.2 | Low | 78.7 | Confident | 120 Ų | 120 | 81.3 Ų | 81.3 | 64% | 0.642 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -53.8 | 153 | 168.9 | -60.8 | -65.2 | 0 | 0 | 0 | 110.4 | H652 S653 | D650-H652 PolarHBondContact O-N 2.81Å; D650-S653 PolarHBondContact N-OG 2.91Å; D650-S653 VanDerWaalsContact N-OG 3.15Å; D650-S653 PolarHBondContact O-N 2.78Å; D650-S653 PolarHBondContact O-OG 2.93Å |
| 651 | P | 59.7 | Low | 78.4 | Confident | 122 Ų | 122 | 82.6 Ų | 82.6 | 79% | 0.792 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -2.1 | -177.5 | -26.7 | 35.7 | 0 | 0 | 0 | 116.8 | ||
| 652 | H | 59.9 | Low | 78.1 | Confident | 190 Ų | 190 | 84.9 Ų | 84.9 | 88% | 0.88 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | 0.7 | 174 | -57.8 | -18 | 0 | 0 | 0 | 113 | D650 | D650-H652 PolarHBondContact O-N 2.81Š|
| 653 | S | 55.9 | Low | 78 | Confident | 44 Ų | 44 | 83.1 Ų | 83.1 | 31% | 0.308 | 44% | 0.441 | S | S | . | . | trans | -118.5 | 104.5 | 176.5 | 62.1 | 0 | 0 | 0 | 0 | 110.3 | G649 D650 G655 | G649-S653 WeakPolarHBondContact CA-OG 3.33Å; D650-S653 PolarHBondContact N-OG 2.91Å; D650-S653 VanDerWaalsContact N-OG 3.15Å; D650-S653 PolarHBondContact O-N 2.78Å; D650-S653 PolarHBondContact O-OG 2.93Å; S653-G655 PolarHBondContact O-N 3.18Å | ||
| 654 | N | 51.4 | Low | 77.8 | Confident | 179 Ų | 179 | 85.4 Ų | 85.4 | 96% | 0.957 | 45% | 0.45 | S | S | * | . | trans | -74.4 | 47.6 | 179.6 | -73.3 | -9.6 | 0 | 0 | 0 | 112.5 | ||||
| 655 | G | 66.4 | Low | 77.6 | Confident | 39 Ų | 39 | 85.2 Ų | 85.2 | 40% | 0.402 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -147.1 | 134.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113 | G649 S653 Q657 | G649-G655 PolarHBondContact N-O 2.95Å; S653-G655 PolarHBondContact O-N 3.18Å; G655-Q657 PolarHBondContact O-N 3.28Å |
| 656 | L | 80.7 | Confident | 77.2 | Confident | 82 Ų | 82 | 89.1 Ų | 89.1 | 43% | 0.429 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 113.6 | 161 | -69.9 | -177.5 | 0 | 0 | 0 | 108.3 | F646 V684 | F646-L656 HydrophobicContact CB-CB 3.73Å; F646-L656 HydrophobicContact CB-CD1 4.4Å; F646-L656 HydrophobicContact CB-CD2 4.23Å; F646-L656 HydrophobicContact CB-CG 4.34Å; F646-L656 HydrophobicContact CD1-CB 3.78Å; F646-L656 HydrophobicContact CD2-CB 4.46Å; F646-L656 HydrophobicContact CD2-CD1 3.98Å; F646-L656 HydrophobicContact CE2-CD1 4.45Å; F646-L656 HydrophobicContact CG-CB 3.73Å; F646-L656 HydrophobicContact CG-CD1 4.08Å; F646-L656 HydrophobicContact CG-CG 4.41Å; L656-V684 HydrophobicContact CD2-CB 4Å; L656-V684 HydrophobicContact CD2-CG1 4.41Å; L656-V684 HydrophobicContact CD2-CG2 3.77Å |
| 657 | Q | 82.7 | Confident | 76.6 | Confident | 54 Ų | 54 | 91.3 Ų | 91.3 | 25% | 0.252 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 129.7 | 179.9 | -60.7 | -166.5 | 25.8 | 0 | 0 | 109.8 | F646 R647 G655 I659 | F646-Q657 CarbonylContact C-O 3.34Å; F646-Q657 WeakPolarHBondContact CA-O 3.38Å; R647-Q657 PolarHBondContact N-O 2.8Å; R647-Q657 PolarHBondContact O-N 3.38Å; G655-Q657 PolarHBondContact O-N 3.28Å; Q657-I659 PolarHBondContact O-N 2.83Å |
| 658 | I | 85 | Confident | 76.4 | Confident | 135 Ų | 135 | 87.8 Ų | 87.8 | 69% | 0.692 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 137.2 | 174.6 | -58.3 | 169.4 | 0 | 0 | 0 | 109 | R660 | I658-R660 PolarHBondContact O-N 2.81Å |
| 659 | I | 88.2 | Confident | 76.6 | Confident | 23 Ų | 23 | 83.9 Ų | 83.9 | 12% | 0.118 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 121.5 | 174.4 | -56.3 | -61.8 | 0 | 0 | 0 | 109 | W645 Q657 N663 V665 L670 Y683 | W645-I659 HydrophobicContact CB-CD1 4.32Å; W645-I659 HydrophobicContact CB-CG1 3.96Å; W645-I659 WeakPolarHBondContact O-CG1 3.25Å; Q657-I659 PolarHBondContact O-N 2.83Å; I659-N663 HydrophobicContact CG2-CB 3.71Å; I659-V665 HydrophobicContact CG1-CG2 4.46Å; I659-L670 HydrophobicContact CB-CD1 4.43Å; I659-L670 HydrophobicContact CD1-CD1 3.93Å; I659-L670 HydrophobicContact CD1-CD2 3.9Å; I659-L670 HydrophobicContact CG1-CD1 3.98Å; I659-L670 HydrophobicContact CG2-CD1 3.64Å; I659-Y683 HydrophobicContact CD1-CD1 3.77Å; I659-Y683 HydrophobicContact CD1-CE1 3.86Å |
| 660 | R | 82.4 | Confident | 77.6 | Confident | 172 Ų | 172 | 83.2 Ų | 83.2 | 65% | 0.649 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -90.2 | 138.1 | -177.2 | -53.2 | -174.3 | -164.1 | -178.9 | 7.3 | 110.2 | I658 N663 | I658-R660 PolarHBondContact O-N 2.81Å; R660-N663 WeakPolarHBondContact O-CB 3.39Å; R660-N663 PolarHBondContact O-N 2.64Å; R660-N663 VanDerWaalsContact O-N 3.15Å |
| 661 | P | 79.6 | Confident | 78.9 | Confident | 119 Ų | 119 | 77.6 Ų | 77.6 | 77% | 0.773 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 145.4 | 167.6 | -26.9 | 35.6 | 0 | 0 | 0 | 111.6 | N663 | P661-N663 VanDerWaalsContact C-N 3.33Š|
| 662 | P | 81.4 | Confident | 80.4 | Confident | 93 Ų | 93 | 71.8 Ų | 71.8 | 60% | 0.604 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -80.5 | -2.3 | 11.1 | 34.6 | -38.5 | 0 | 0 | 0 | 114.9 | Q673 | P662-Q673 HydrophobicContact CB-CB 4.34Å; P662-Q673 HydrophobicContact CB-CG 4.12Å; P662-Q673 HydrophobicContact CG-CB 4.47Å; P662-Q673 WeakPolarHBondContact O-CG 3.33Å |
| 663 | N | 86.6 | Confident | 81.5 | Confident | 27 Ų | 27 | 66 Ų | 66 | 14% | 0.144 | 38% | 0.376 | C | S | . | . | trans | -74.5 | 141.8 | 178.7 | -57.9 | -18.5 | 0 | 0 | 0 | 110.1 | I659 R660 P661 I671 I672 Q673 | I659-N663 HydrophobicContact CG2-CB 3.71Å; R660-N663 WeakPolarHBondContact O-CB 3.39Å; R660-N663 PolarHBondContact O-N 2.64Å; R660-N663 VanDerWaalsContact O-N 3.15Å; P661-N663 VanDerWaalsContact C-N 3.33Å; N663-I671 CarbonylContact C-O 3.58Å; N663-I671 VanDerWaalsContact CA-O 3.25Å; N663-I671 WeakPolarHBondContact CA-O 3.32Å; N663-I671 WeakPolarHBondContact CB-O 3.25Å; N663-I672 VanDerWaalsContact OD1-CA 3.31Å; N663-I672 WeakPolarHBondContact OD1-CA 3.26Å; N663-Q673 PolarHBondContact OD1-N 2.9Å; N663-Q673 VanDerWaalsContact OD1-N 3.14Å | ||
| 664 | Q | 86.5 | Confident | 83 | Confident | 83 Ų | 83 | 70.3 Ų | 70.3 | 39% | 0.388 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 164.1 | -170.4 | 68.3 | -166.5 | 16.9 | 0 | 0 | 112.9 | E666 I671 | Q664-E666 PolarHBondContact NE2-OE1 3.21Å; Q664-I671 HydrophobicContact CG-CB 4.4Å; Q664-I671 PolarHBondContact N-O 2.99Å; Q664-I671 PolarHBondContact O-N 3.09Å |
| 665 | V | 87 | Confident | 84.8 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.7 | 178.5 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | W645 I659 T669 | W645-V665 HydrophobicContact CB-CG2 3.78Å; W645-V665 HydrophobicContact CG-CG2 4.24Å; I659-V665 HydrophobicContact CG1-CG2 4.46Å; V665-T669 WeakPolarHBondContact CA-O 3.35Å |
| 666 | E | 83.9 | Confident | 85.9 | Confident | 92 Ų | 92 | 62.4 Ų | 62.4 | 43% | 0.43 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 118.3 | 177.6 | -72.1 | 176.5 | -164.3 | 0 | 0 | 109.8 | Q664 G668 T669 I671 | Q664-E666 PolarHBondContact NE2-OE1 3.21Å; E666-G668 PolarHBondContact O-N 2.87Å; E666-T669 PolarHBondContact N-O 3.36Å; E666-T669 WeakPolarHBondContact O-CA 3.26Å; E666-T669 WeakPolarHBondContact O-CB 3.41Å; E666-T669 PolarHBondContact O-N 3.06Å; E666-I671 HydrophobicContact CB-CD1 4.06Å; E666-I671 VanDerWaalsContact CD-CD1 3.45Å; E666-I671 HydrophobicContact CG-CD1 4.03Å; E666-I671 VanDerWaalsContact OE2-CD1 3.25Å; E666-I671 WeakPolarHBondContact OE2-CD1 3.26Å |
| 667 | G | 79.6 | Confident | 86.2 | Confident | 82 Ų | 82 | 64 Ų | 64 | 85% | 0.845 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 34.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | T669 | G667-T669 VanDerWaalsContact C-N 3.28Å; G667-T669 PolarHBondContact O-N 3.45Å |
| 668 | G | 85.8 | Confident | 86.5 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | C633 W645 E666 | C633-G668 WeakPolarHBondContact CA-O 3.47Å; C633-G668 WeakPolarHBondContact CB-O 3.4Å; C633-G668 PolarHBondContact N-O 3.03Å; C633-G668 CarbonylContact O-C 3.54Å; C633-G668 WeakPolarHBondContact O-CA 3.42Å; W645-G668 PolarHBondContact NE1-O 3.01Å; E666-G668 PolarHBondContact O-N 2.87Å |
| 669 | T | 89.6 | Confident | 86.7 | Confident | 24 Ų | 24 | 61.8 Ų | 61.8 | 15% | 0.147 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124.9 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | R630 I631 P632 V665 E666 G667 I671 | R630-T669 HydrophobicContact CB-CG2 4.14Å; I631-T669 WeakPolarHBondContact O-CA 3.33Å; P632-T669 HydrophobicContact CB-CG2 4.48Å; V665-T669 WeakPolarHBondContact CA-O 3.35Å; E666-T669 PolarHBondContact N-O 3.36Å; E666-T669 WeakPolarHBondContact O-CA 3.26Å; E666-T669 WeakPolarHBondContact O-CB 3.41Å; E666-T669 PolarHBondContact O-N 3.06Å; G667-T669 VanDerWaalsContact C-N 3.28Å; G667-T669 PolarHBondContact O-N 3.45Å; T669-I671 HydrophobicContact CG2-CG1 4.37Å |
| 670 | L | 92.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 122.1 | 170.4 | 168.2 | 57.8 | 0 | 0 | 0 | 109.5 | R630 I631 W645 I659 I672 Y683 | R630-L670 CarbonylContact C-O 3.52Å; R630-L670 WeakPolarHBondContact CA-O 3.38Å; I631-L670 HydrophobicContact CB-CB 4.36Å; I631-L670 HydrophobicContact CD1-CD2 3.96Å; I631-L670 HydrophobicContact CD1-CG 4.29Å; I631-L670 PolarHBondContact N-O 2.73Å; I631-L670 PolarHBondContact O-N 3.34Å; W645-L670 HydrophobicContact CB-CB 4.41Å; W645-L670 HydrophobicContact CD2-CB 3.77Å; W645-L670 HydrophobicContact CD2-CD2 4.14Å; W645-L670 HydrophobicContact CE3-CB 4.4Å; W645-L670 HydrophobicContact CE3-CD2 4.01Å; W645-L670 HydrophobicContact CG-CB 3.8Å; W645-L670 HydrophobicContact CG-CD2 4.43Å; W645-L670 HydrophobicContact CZ2-CB 4.33Å; I659-L670 HydrophobicContact CB-CD1 4.43Å; I659-L670 HydrophobicContact CD1-CD1 3.93Å; I659-L670 HydrophobicContact CD1-CD2 3.9Å; I659-L670 HydrophobicContact CG1-CD1 3.98Å; I659-L670 HydrophobicContact CG2-CD1 3.64Å; L670-I672 HydrophobicContact CG-CG1 4.47Å; L670-Y683 HydrophobicContact CD2-CD1 3.36Å; L670-Y683 HydrophobicContact CD2-CE1 3.78Å; L670-Y683 HydrophobicContact CD2-CG 4.01Å |
| 671 | I | 91.8 | Very high | 87.1 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.015 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.5 | 178 | -57.1 | -178.5 | 0 | 0 | 0 | 109 | Q628 G629 R630 N663 Q664 E666 T669 | Q628-I671 HydrophobicContact CG-CG2 3.9Å; G629-I671 CarbonylContact O-C 3.4Å; G629-I671 WeakPolarHBondContact O-CA 3.35Å; R630-I671 HydrophobicContact CG-CG1 4.32Å; R630-I671 HydrophobicContact CG-CG2 4.41Å; N663-I671 CarbonylContact C-O 3.58Å; N663-I671 VanDerWaalsContact CA-O 3.25Å; N663-I671 WeakPolarHBondContact CA-O 3.32Å; N663-I671 WeakPolarHBondContact CB-O 3.25Å; Q664-I671 HydrophobicContact CG-CB 4.4Å; Q664-I671 PolarHBondContact N-O 2.99Å; Q664-I671 PolarHBondContact O-N 3.09Å; E666-I671 HydrophobicContact CB-CD1 4.06Å; E666-I671 VanDerWaalsContact CD-CD1 3.45Å; E666-I671 HydrophobicContact CG-CD1 4.03Å; E666-I671 VanDerWaalsContact OE2-CD1 3.25Å; E666-I671 WeakPolarHBondContact OE2-CD1 3.26Å; T669-I671 HydrophobicContact CG2-CG1 4.37Å |
| 672 | I | 90.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 111.4 | 172.8 | -61.8 | 178.2 | 0 | 0 | 0 | 106.9 | L623 Q628 G629 I631 N663 L670 Y674 V675 D679 | L623-I672 HydrophobicContact CD1-CD1 3.92Å; Q628-I672 CarbonylContact C-O 3.56Å; G629-I672 PolarHBondContact N-O 2.87Å; G629-I672 PolarHBondContact O-N 3.41Å; I631-I672 HydrophobicContact CD1-CD1 4.16Å; N663-I672 VanDerWaalsContact OD1-CA 3.31Å; N663-I672 WeakPolarHBondContact OD1-CA 3.26Å; L670-I672 HydrophobicContact CG-CG1 4.47Å; I672-Y674 PolarHBondContact O-N 3.08Å; I672-V675 HydrophobicContact CB-CG2 4.09Å; I672-V675 HydrophobicContact CG2-CB 4.48Å; I672-V675 HydrophobicContact CG2-CG2 3.73Å; I672-D679 HydrophobicContact CD1-CB 4.36Å; I672-D679 HydrophobicContact CG2-CB 4.34Å |
| 673 | Q | 84.1 | Confident | 88.2 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -68.2 | -35.8 | -163.6 | -70.4 | -68.9 | 3.7 | 0 | 0 | 113.6 | P662 N663 | P662-Q673 HydrophobicContact CB-CB 4.34Å; P662-Q673 HydrophobicContact CB-CG 4.12Å; P662-Q673 HydrophobicContact CG-CB 4.47Å; P662-Q673 WeakPolarHBondContact O-CG 3.33Å; N663-Q673 PolarHBondContact OD1-N 2.9Å; N663-Q673 VanDerWaalsContact OD1-N 3.14Å |
| 674 | Y | 86.7 | Confident | 88.6 | Confident | 136 Ų | 136 | 47 Ų | 47 | 53% | 0.533 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -145 | 95.4 | 179 | -175.3 | -112.1 | 0 | 0 | 0 | 108.5 | N626 I672 Q676 | N626-Y674 HydrophobicContact CB-CE2 3.88Å; N626-Y674 WeakPolarHBondContact O-CE2 3.49Å; N626-Y674 PolarHBondContact OD1-OH 2.82Å; I672-Y674 PolarHBondContact O-N 3.08Å; Y674-Q676 HydrophobicContact CD1-CG 4.01Å; Y674-Q676 HydrophobicContact CE1-CG 4.16Å; Y674-Q676 PolarHBondContact O-N 3.29Å |
| 675 | V | 88.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -66.9 | 124.6 | -171.9 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | L623 N626 M627 G629 I672 V704 | L623-V675 HydrophobicContact CB-CG1 3.79Å; L623-V675 HydrophobicContact CB-CG2 4.11Å; L623-V675 HydrophobicContact CD1-CG1 4.46Å; L623-V675 HydrophobicContact CD1-CG2 3.95Å; N626-V675 PolarHBondContact N-O 3.27Å; M627-V675 WeakPolarHBondContact O-CB 3.31Å; M627-V675 VanDerWaalsContact O-CG2 3.32Å; M627-V675 WeakPolarHBondContact O-CG2 3.27Å; M627-V675 PolarHBondContact O-N 3.14Å; G629-V675 VanDerWaalsContact N-CG2 3.34Å; I672-V675 HydrophobicContact CB-CG2 4.09Å; I672-V675 HydrophobicContact CG2-CB 4.48Å; I672-V675 HydrophobicContact CG2-CG2 3.73Å; V675-V704 HydrophobicContact CG1-CB 4.23Å; V675-V704 HydrophobicContact CG1-CG1 3.5Å; V675-V704 HydrophobicContact CG1-CG2 3.7Å | ||
| 676 | Q | 90.2 | Very high | 89.2 | Confident | 52 Ų | 52 | 40.4 Ų | 40.4 | 24% | 0.243 | 22% | 0.224 | C | C | . | . | trans | -124.3 | 162.4 | 174 | -66.5 | -62.9 | -76.5 | 0 | 0 | 110.8 | N626 Y674 H678 D679 | N626-Q676 PolarHBondContact OD1-NE2 2.99Å; Y674-Q676 HydrophobicContact CD1-CG 4.01Å; Y674-Q676 HydrophobicContact CE1-CG 4.16Å; Y674-Q676 PolarHBondContact O-N 3.29Å; Q676-H678 WeakPolarHBondContact CB-NE2 3.3Å; Q676-H678 PolarHBondContact O-N 3.38Å; Q676-D679 PolarHBondContact N-OD2 2.97Å; Q676-D679 WeakPolarHBondContact O-CB 3.01Å; Q676-D679 PolarHBondContact O-N 3.1Å | ||
| 677 | K | 86.8 | Confident | 89.6 | Confident | 115 Ų | 115 | 36 Ų | 36 | 50% | 0.5 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -59 | -21.8 | -178.1 | -68.6 | -161.1 | 169.6 | -167.7 | 0 | 114.1 | I625 D679 V704 D734 | I625-K677 HydrophobicContact CD1-CD 4.49Å; I625-K677 HydrophobicContact CD1-CG 3.82Å; K677-D679 VanDerWaalsContact C-N 3.27Å; K677-D679 PolarHBondContact O-N 3.41Å; K677-V704 HydrophobicContact CG-CG1 4.3Å; K677-D734 WeakPolarHBondContact CE-OD2 3.17Å; K677-D734 IonicContact NZ-OD2 2.8Å; K677-D734 PolarHBondContact NZ-OD2 3.01Å |
| 678 | H | 88.9 | Confident | 90.2 | Very high | 130 Ų | 130 | 35.1 Ų | 35.1 | 60% | 0.602 | 18% | 0.177 | S | C | * | . | G | 310 helix | trans | -76.8 | -6.3 | 174 | 61.9 | 53.8 | 0 | 0 | 0 | 114.9 | R647 Q676 A680 | R647-H678 PolarHBondContact NH1-O 2.66Å; R647-H678 PolarHBondContact NH2-O 3.06Å; Q676-H678 WeakPolarHBondContact CB-NE2 3.3Å; Q676-H678 PolarHBondContact O-N 3.38Å; H678-A680 VanDerWaalsContact C-N 3.33Å |
| 679 | D | 90.2 | Very high | 90.4 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 6% | 0.064 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -90 | -0.4 | 175.3 | -56.6 | -38.4 | 0 | 0 | 0 | 112.7 | I672 Q676 K677 Y683 | I672-D679 HydrophobicContact CD1-CB 4.36Å; I672-D679 HydrophobicContact CG2-CB 4.34Å; Q676-D679 PolarHBondContact N-OD2 2.97Å; Q676-D679 WeakPolarHBondContact O-CB 3.01Å; Q676-D679 PolarHBondContact O-N 3.1Å; K677-D679 VanDerWaalsContact C-N 3.27Å; K677-D679 PolarHBondContact O-N 3.41Å; D679-Y683 WeakPolarHBondContact O-CE2 3.4Å; D679-Y683 PolarHBondContact O-OH 2.76Å |
| 680 | A | 89.4 | Confident | 90.3 | Very high | 36 Ų | 36 | 38.2 Ų | 38.2 | 30% | 0.298 | 19% | 0.194 | S | C | . | . | trans | -66.9 | 159.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R647 H678 V702 V704 | R647-A680 PolarHBondContact NH2-O 3.33Å; H678-A680 VanDerWaalsContact C-N 3.33Å; A680-V702 CarbonylContact C-O 3.51Å; A680-V702 VanDerWaalsContact CA-O 3.25Å; A680-V702 WeakPolarHBondContact CA-O 3.19Å; A680-V702 WeakPolarHBondContact CB-O 3.35Å; A680-V704 HydrophobicContact CB-CG2 4.22Å | ||
| 681 | G | 89.2 | Confident | 90 | Very high | 30 Ų | 30 | 41 Ų | 41 | 31% | 0.309 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 114.8 | -174.5 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y683 V702 | G681-Y683 WeakPolarHBondContact O-CD2 3.39Å; G681-V702 PolarHBondContact N-O 2.89Å; G681-V702 WeakPolarHBondContact O-CB 3.24Å; G681-V702 PolarHBondContact O-N 2.87Å |
| 682 | D | 91.7 | Very high | 89.7 | Confident | 44 Ų | 44 | 47.4 Ų | 47.4 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 133.2 | -170 | -72.3 | -4.9 | 0 | 0 | 0 | 113.5 | K648 T699 S701 | K648-D682 HydrophobicContact CB-CB 3.66Å; K648-D682 WeakPolarHBondContact CB-O 3.47Å; K648-D682 HydrophobicContact CD-CB 3.41Å; K648-D682 VanDerWaalsContact CD-CB 3.41Å; K648-D682 WeakPolarHBondContact CD-OD2 3.27Å; K648-D682 WeakPolarHBondContact CE-OD2 3.46Å; K648-D682 HydrophobicContact CG-CB 4.23Å; K648-D682 PolarHBondContact N-O 3.42Å; K648-D682 IonicContact NZ-OD2 3.96Å; K648-D682 PolarHBondContact NZ-OD2 3.33Å; D682-T699 HydrophobicContact CB-CG2 4.16Å; D682-S701 WeakPolarHBondContact OD1-CB 3.24Å; D682-S701 PolarHBondContact OD1-OG 3.18Å |
| 683 | Y | 93 | Very high | 89.6 | Confident | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.016 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 144.1 | 170.5 | -69.7 | -100.2 | 0 | 0 | 0 | 109.9 | F646 R647 I659 L670 D679 G681 T699 V700 V702 | F646-Y683 CarbonylContact O-C 3.51Å; F646-Y683 WeakPolarHBondContact O-CA 3.38Å; R647-Y683 HydrophobicContact CB-CD1 4.05Å; R647-Y683 HydrophobicContact CB-CE1 3.89Å; R647-Y683 HydrophobicContact CG-CD1 4.16Å; R647-Y683 HydrophobicContact CG-CE1 3.83Å; R647-Y683 HydrophobicContact CG-CE2 4.35Å; I659-Y683 HydrophobicContact CD1-CD1 3.77Å; I659-Y683 HydrophobicContact CD1-CE1 3.86Å; L670-Y683 HydrophobicContact CD2-CD1 3.36Å; L670-Y683 HydrophobicContact CD2-CE1 3.78Å; L670-Y683 HydrophobicContact CD2-CG 4.01Å; D679-Y683 WeakPolarHBondContact O-CE2 3.4Å; D679-Y683 PolarHBondContact O-OH 2.76Å; G681-Y683 WeakPolarHBondContact O-CD2 3.39Å; Y683-T699 CarbonylContact O-C 3.6Å; Y683-T699 WeakPolarHBondContact O-CA 3.31Å; Y683-V700 PolarHBondContact N-O 3.29Å; Y683-V700 PolarHBondContact O-N 2.86Å; Y683-V702 HydrophobicContact CD2-CB 3.99Å; Y683-V702 HydrophobicContact CD2-CG2 3.4Å; Y683-V702 VanDerWaalsContact CD2-CG2 3.4Å; Y683-V702 HydrophobicContact CE2-CB 4.02Å; Y683-V702 HydrophobicContact CE2-CG2 3.82Å; Y683-V702 HydrophobicContact CG-CG2 4.29Å |
| 684 | V | 93.2 | Very high | 89.7 | Confident | 10 Ų | 10 | 52.7 Ų | 52.7 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 118.6 | -177.5 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | W645 F646 K648 L656 V686 N697 M698 T699 | W645-V684 WeakPolarHBondContact CA-O 3.37Å; F646-V684 PolarHBondContact N-O 3.33Å; F646-V684 PolarHBondContact O-N 3.07Å; K648-V684 HydrophobicContact CB-CG2 4.44Å; L656-V684 HydrophobicContact CD2-CB 4Å; L656-V684 HydrophobicContact CD2-CG1 4.41Å; L656-V684 HydrophobicContact CD2-CG2 3.77Å; V684-V686 HydrophobicContact CG1-CG2 4.11Å; V684-N697 HydrophobicContact CG1-CB 4.44Å; V684-M698 CarbonylContact C-O 3.42Å; V684-M698 WeakPolarHBondContact CA-O 3.23Å; V684-T699 HydrophobicContact CG2-CG2 4.3Å |
| 685 | C | 93.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 136.3 | 164.9 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | C633 V643 E644 W645 N697 M698 | C633-C685 HydrophobicContact CB-CB 3.76Å; C633-C685 WeakPolarHBondContact CB-SG 3.39Å; C633-C685 WeakPolarHBondContact SG-CB 3.49Å; C633-C685 CovalentContact SG-SG 2.03Å; C633-C685 PolarHBondContact SG-SG 3.01Å; V643-C685 WeakPolarHBondContact CG1-SG 3.49Å; E644-C685 CarbonylContact O-C 3.49Å; E644-C685 WeakPolarHBondContact O-CA 3.4Å; W645-C685 HydrophobicContact CD2-CB 4.02Å; W645-C685 HydrophobicContact CE3-CB 4.02Å; W645-C685 HydrophobicContact CH2-CB 4.02Å; W645-C685 HydrophobicContact CZ2-CB 4.04Å; W645-C685 HydrophobicContact CZ3-CB 4Å; C685-N697 CarbonylContact O-C 3.59Å; C685-N697 VanDerWaalsContact O-CA 3.32Å; C685-N697 WeakPolarHBondContact O-CA 2.98Å; C685-M698 HydrophobicContact CB-CB 4.44Å; C685-M698 HydrophobicContact CB-CE 4.09Å; C685-M698 PolarHBondContact N-O 2.85Å; C685-M698 PolarHBondContact O-N 2.84Å |
| 686 | V | 93.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 118.4 | 175.4 | 177 | 0 | 0 | 0 | 0 | 108.4 | V643 E644 F646 V684 K688 Q695 | V643-V686 WeakPolarHBondContact CA-O 3.36Å; E644-V686 HydrophobicContact CB-CB 4.49Å; E644-V686 PolarHBondContact N-O 3.41Å; E644-V686 PolarHBondContact O-N 3.29Å; F646-V686 HydrophobicContact CD2-CG2 3.96Å; F646-V686 HydrophobicContact CE2-CB 4.16Å; F646-V686 HydrophobicContact CE2-CG2 3.81Å; V684-V686 HydrophobicContact CG1-CG2 4.11Å; V686-K688 HydrophobicContact CG1-CG 4.15Å; V686-Q695 VanDerWaalsContact CG1-CD 3.49Å; V686-Q695 HydrophobicContact CG1-CG 3.72Å |
| 687 | A | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F614 A635 T642 V643 Q695 I696 | F614-A687 HydrophobicContact CD1-CB 4.36Å; F614-A687 HydrophobicContact CE1-CB 3.66Å; F614-A687 HydrophobicContact CZ-CB 4.18Å; A635-A687 HydrophobicContact CB-CB 3.57Å; T642-A687 CarbonylContact O-C 3.55Å; T642-A687 VanDerWaalsContact O-CA 3.29Å; T642-A687 WeakPolarHBondContact O-CA 3.5Å; V643-A687 HydrophobicContact CG2-CB 4.3Å; A687-Q695 CarbonylContact O-C 3.57Å; A687-Q695 VanDerWaalsContact O-CA 3.32Å; A687-Q695 WeakPolarHBondContact O-CA 3.4Å; A687-Q695 WeakPolarHBondContact O-CG 3.48Å; A687-I696 HydrophobicContact CB-CD1 4.39Å; A687-I696 HydrophobicContact CB-CG1 3.89Å; A687-I696 PolarHBondContact N-O 3.39Å; A687-I696 PolarHBondContact O-N 2.76Å |
| 688 | K | 92.2 | Very high | 90.4 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 27% | 0.274 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 150.5 | -179.3 | -63.2 | 167.8 | -171.4 | 167.1 | 0 | 109.6 | V641 T642 E644 V686 A694 Q695 | V641-K688 CarbonylContact C-O 3.59Å; V641-K688 VanDerWaalsContact CA-O 3.25Å; V641-K688 WeakPolarHBondContact CA-O 3.45Å; T642-K688 PolarHBondContact N-O 2.53Å; T642-K688 PolarHBondContact O-N 3.13Å; E644-K688 IonicContact OE1-NZ 3.93Å; E644-K688 PolarHBondContact OE1-NZ 3.02Å; E644-K688 IonicContact OE2-NZ 2.75Å; E644-K688 PolarHBondContact OE2-NZ 2.87Å; V686-K688 HydrophobicContact CG1-CG 4.15Å; K688-A694 CarbonylContact C-O 3.5Å; K688-A694 WeakPolarHBondContact CA-O 3.14Å; K688-Q695 HydrophobicContact CG-CB 4.22Å; K688-Q695 HydrophobicContact CG-CG 3.8Å |
| 689 | S | 88.7 | Confident | 90.5 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 143.1 | 168.5 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | Y638 T640 Y691 N693 A694 | Y638-S689 PolarHBondContact O-OG 3.42Å; T640-S689 WeakPolarHBondContact O-CA 3.49Å; S689-Y691 PolarHBondContact O-N 2.8Å; S689-Y691 PolarHBondContact OG-N 3.07Å; S689-N693 CarbonylContact O-C 3.58Å; S689-N693 WeakPolarHBondContact O-CA 3.44Å; S689-A694 PolarHBondContact N-O 2.88Å; S689-A694 PolarHBondContact O-N 2.86Å |
| 690 | T | 89.3 | Confident | 90.6 | Very high | 88 Ų | 88 | 46.6 Ų | 46.6 | 54% | 0.54 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -69.5 | -13 | 167.6 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | T640 | T640-T690 PolarHBondContact N-OG1 3.1Å; T640-T690 PolarHBondContact O-N 3.12Å |
| 691 | Y | 85.6 | Confident | 90.6 | Very high | 59 Ų | 59 | 46.8 Ų | 46.8 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -80.7 | 124.2 | 171.8 | -169.9 | -130.4 | 0 | 0 | 0 | 111.2 | D526 K609 Y638 S689 N693 A694 | D526-Y691 PolarHBondContact OD1-OH 3Å; K609-Y691 HydrophobicContact CB-CE1 4Å; Y638-Y691 AromaticContact CD1-CD1 3.91Å; Y638-Y691 HydrophobicContact CD1-CD1 3.91Å; Y638-Y691 AromaticContact CD1-CD2 3.73Å; Y638-Y691 HydrophobicContact CD1-CD2 3.73Å; Y638-Y691 HydrophobicContact CD1-CE1 4.29Å; Y638-Y691 HydrophobicContact CD1-CE2 4.16Å; Y638-Y691 AromaticContact CD1-CG 3.62Å; Y638-Y691 HydrophobicContact CD1-CG 3.62Å; Y638-Y691 HydrophobicContact CE1-CD2 4.2Å; Y638-Y691 HydrophobicContact CE1-CE2 4.43Å; Y638-Y691 HydrophobicContact CG-CD1 4.39Å; Y638-Y691 HydrophobicContact CG-CG 4.44Å; Y638-Y691 VanDerWaalsContact O-CB 3.24Å; Y638-Y691 WeakPolarHBondContact O-CB 3.25Å; S689-Y691 PolarHBondContact O-N 2.8Å; S689-Y691 PolarHBondContact OG-N 3.07Å; Y691-N693 PolarHBondContact O-N 3.02Å; Y691-A694 PolarHBondContact O-N 2.89Å; Y691-A694 VanDerWaalsContact O-N 3.17Å |
| 692 | K | 85.7 | Confident | 90.7 | Very high | 137 Ų | 137 | 45.6 Ų | 45.6 | 60% | 0.596 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 17.5 | -176.9 | -65.9 | 165.2 | 172.3 | 154.3 | 0 | 113.5 | D526 A694 | D526-K692 IonicContact OD1-NZ 3.73Å; D526-K692 PolarHBondContact OD1-NZ 3.18Å; D526-K692 IonicContact OD2-NZ 2.66Å; D526-K692 PolarHBondContact OD2-NZ 3.47Å; K692-A694 PolarHBondContact O-N 3.35Å |
| 693 | N | 87.7 | Confident | 90.4 | Very high | 144 Ų | 144 | 45.2 Ų | 45.2 | 77% | 0.77 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 36.5 | -171.2 | -65.7 | -21.7 | 0 | 0 | 0 | 113.9 | S689 Y691 | S689-N693 CarbonylContact O-C 3.58Å; S689-N693 WeakPolarHBondContact O-CA 3.44Å; Y691-N693 PolarHBondContact O-N 3.02Å |
| 694 | A | 86 | Confident | 90.2 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | trans | -68 | 144.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L612 K688 S689 Y691 K692 | L612-A694 HydrophobicContact CB-CB 4Å; L612-A694 VanDerWaalsContact CD2-C 3.5Å; L612-A694 HydrophobicContact CD2-CB 3.7Å; L612-A694 VanDerWaalsContact CD2-O 3.28Å; L612-A694 WeakPolarHBondContact CD2-O 3.43Å; K688-A694 CarbonylContact C-O 3.5Å; K688-A694 WeakPolarHBondContact CA-O 3.14Å; S689-A694 PolarHBondContact N-O 2.88Å; S689-A694 PolarHBondContact O-N 2.86Å; Y691-A694 PolarHBondContact O-N 2.89Å; Y691-A694 VanDerWaalsContact O-N 3.17Å; K692-A694 PolarHBondContact O-N 3.35Å | ||
| 695 | Q | 91.5 | Very high | 89.8 | Confident | 103 Ų | 103 | 45.3 Ų | 45.3 | 48% | 0.481 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 142.5 | 170.9 | -177.9 | -178.3 | -52.8 | 0 | 0 | 110.2 | V686 A687 K688 N697 | V686-Q695 VanDerWaalsContact CG1-CD 3.49Å; V686-Q695 HydrophobicContact CG1-CG 3.72Å; A687-Q695 CarbonylContact O-C 3.57Å; A687-Q695 VanDerWaalsContact O-CA 3.32Å; A687-Q695 WeakPolarHBondContact O-CA 3.4Å; A687-Q695 WeakPolarHBondContact O-CG 3.48Å; K688-Q695 HydrophobicContact CG-CB 4.22Å; K688-Q695 HydrophobicContact CG-CG 3.8Å; Q695-N697 PolarHBondContact NE2-OD1 2.9Å |
| 696 | I | 92.9 | Very high | 89.3 | Confident | 46 Ų | 46 | 49.8 Ų | 49.8 | 24% | 0.236 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 149.8 | 173.2 | 59.3 | 176.4 | 0 | 0 | 0 | 110.2 | L612 Q613 F614 A687 | L612-I696 HydrophobicContact CD1-CD1 4.5Å; L612-I696 HydrophobicContact CD2-CG1 4.21Å; L612-I696 HydrophobicContact CG-CD1 3.99Å; L612-I696 HydrophobicContact CG-CG1 4.07Å; Q613-I696 VanDerWaalsContact C-CD1 3.45Å; F614-I696 HydrophobicContact CD1-CD1 4.23Å; F614-I696 HydrophobicContact CD2-CD1 3.61Å; F614-I696 HydrophobicContact CD2-CG1 4.1Å; F614-I696 HydrophobicContact CE1-CD1 4.3Å; F614-I696 HydrophobicContact CE1-CG1 4.26Å; F614-I696 HydrophobicContact CE2-CB 3.97Å; F614-I696 HydrophobicContact CE2-CD1 3.7Å; F614-I696 HydrophobicContact CE2-CG1 3.63Å; F614-I696 HydrophobicContact CG-CD1 3.89Å; F614-I696 HydrophobicContact CZ-CB 4.36Å; F614-I696 HydrophobicContact CZ-CD1 4.06Å; F614-I696 HydrophobicContact CZ-CG1 3.73Å; A687-I696 HydrophobicContact CB-CD1 4.39Å; A687-I696 HydrophobicContact CB-CG1 3.89Å; A687-I696 PolarHBondContact N-O 3.39Å; A687-I696 PolarHBondContact O-N 2.76Å |
| 697 | N | 92.2 | Very high | 88.6 | Confident | 93 Ų | 93 | 53.4 Ų | 53.4 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 140.1 | -176.2 | -57.6 | -6.5 | 0 | 0 | 0 | 110.6 | F614 V684 C685 Q695 | F614-N697 VanDerWaalsContact CE2-C 3.48Å; V684-N697 HydrophobicContact CG1-CB 4.44Å; C685-N697 CarbonylContact O-C 3.59Å; C685-N697 VanDerWaalsContact O-CA 3.32Å; C685-N697 WeakPolarHBondContact O-CA 2.98Å; Q695-N697 PolarHBondContact NE2-OD1 2.9Å |
| 698 | M | 91.4 | Very high | 88 | Confident | 9 Ų | 9 | 53.4 Ų | 53.4 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135.5 | 173 | 167 | 176.2 | 56.7 | 0 | 0 | 109.3 | F614 E617 F618 C633 V684 C685 V700 | F614-M698 HydrophobicContact CD2-CB 4.14Å; F614-M698 HydrophobicContact CE1-CB 4.37Å; F614-M698 HydrophobicContact CE2-CB 3.64Å; F614-M698 HydrophobicContact CZ-CB 3.77Å; E617-M698 HydrophobicContact CB-SD 4.16Å; E617-M698 HydrophobicContact CG-SD 4.3Å; F618-M698 HydrophobicContact CD1-CE 4.48Å; F618-M698 HydrophobicContact CD1-SD 4.07Å; F618-M698 HydrophobicContact CE1-CE 4.03Å; F618-M698 HydrophobicContact CE1-SD 4.21Å; C633-M698 HydrophobicContact CB-CE 4.07Å; C633-M698 VanDerWaalsContact SG-CE 3.53Å; V684-M698 CarbonylContact C-O 3.42Å; V684-M698 WeakPolarHBondContact CA-O 3.23Å; C685-M698 HydrophobicContact CB-CB 4.44Å; C685-M698 HydrophobicContact CB-CE 4.09Å; C685-M698 PolarHBondContact N-O 2.85Å; C685-M698 PolarHBondContact O-N 2.84Å; M698-V700 HydrophobicContact CE-CG2 4.43Å; M698-V700 HydrophobicContact CG-CG2 4.11Å; M698-V700 HydrophobicContact SD-CG2 4.26Å |
| 699 | T | 91.5 | Very high | 87.6 | Confident | 65 Ų | 65 | 55.2 Ų | 55.2 | 40% | 0.399 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 132.2 | 174.4 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | D682 Y683 V684 | D682-T699 HydrophobicContact CB-CG2 4.16Å; Y683-T699 CarbonylContact O-C 3.6Å; Y683-T699 WeakPolarHBondContact O-CA 3.31Å; V684-T699 HydrophobicContact CG2-CG2 4.3Å |
| 700 | V | 91.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 117.6 | -177.8 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | F618 H621 I631 W645 Y683 M698 V702 | F618-V700 HydrophobicContact CD2-CG1 3.86Å; F618-V700 HydrophobicContact CD2-CG2 4.01Å; F618-V700 HydrophobicContact CE2-CB 4.34Å; F618-V700 HydrophobicContact CE2-CG1 3.6Å; F618-V700 HydrophobicContact CE2-CG2 3.72Å; F618-V700 HydrophobicContact CZ-CG2 4.16Å; H621-V700 HydrophobicContact CB-CG1 3.64Å; I631-V700 HydrophobicContact CG2-CG1 4.22Å; W645-V700 HydrophobicContact CH2-CG2 3.97Å; W645-V700 HydrophobicContact CZ3-CB 4.49Å; W645-V700 HydrophobicContact CZ3-CG2 4.24Å; Y683-V700 PolarHBondContact N-O 3.29Å; Y683-V700 PolarHBondContact O-N 2.86Å; M698-V700 HydrophobicContact CE-CG2 4.43Å; M698-V700 HydrophobicContact CG-CG2 4.11Å; M698-V700 HydrophobicContact SD-CG2 4.26Å; V700-V702 HydrophobicContact CG1-CG2 4.46Å; V700-V702 PolarHBondContact O-N 3.19Å |
| 701 | S | 89.9 | Confident | 87.2 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 29% | 0.287 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 112.6 | 171.2 | -57 | 0 | 0 | 0 | 0 | 109.9 | R619 E620 H621 D682 | R619-S701 PolarHBondContact O-N 2.97Å; E620-S701 CarbonylContact C-O 3.56Å; E620-S701 VanDerWaalsContact CA-O 3.31Å; E620-S701 WeakPolarHBondContact CA-O 3.48Å; H621-S701 PolarHBondContact N-O 3.02Å; D682-S701 WeakPolarHBondContact OD1-CB 3.24Å; D682-S701 PolarHBondContact OD1-OG 3.18Å |
| 702 | V | 89.9 | Confident | 87.2 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.024 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 129.8 | -179.8 | 175.6 | 0 | 0 | 0 | 0 | 110 | H621 L623 I631 A680 G681 Y683 V700 V704 | H621-V702 WeakPolarHBondContact O-CA 3.45Å; L623-V702 HydrophobicContact CD1-CG1 3.59Å; L623-V702 HydrophobicContact CG-CG1 4.07Å; I631-V702 HydrophobicContact CD1-CG2 3.46Å; I631-V702 VanDerWaalsContact CD1-CG2 3.46Å; I631-V702 HydrophobicContact CG1-CG2 4.48Å; A680-V702 CarbonylContact C-O 3.51Å; A680-V702 VanDerWaalsContact CA-O 3.25Å; A680-V702 WeakPolarHBondContact CA-O 3.19Å; A680-V702 WeakPolarHBondContact CB-O 3.35Å; G681-V702 PolarHBondContact N-O 2.89Å; G681-V702 WeakPolarHBondContact O-CB 3.24Å; G681-V702 PolarHBondContact O-N 2.87Å; Y683-V702 HydrophobicContact CD2-CB 3.99Å; Y683-V702 HydrophobicContact CD2-CG2 3.4Å; Y683-V702 VanDerWaalsContact CD2-CG2 3.4Å; Y683-V702 HydrophobicContact CE2-CB 4.02Å; Y683-V702 HydrophobicContact CE2-CG2 3.82Å; Y683-V702 HydrophobicContact CG-CG2 4.29Å; V700-V702 HydrophobicContact CG1-CG2 4.46Å; V700-V702 PolarHBondContact O-N 3.19Å; V702-V704 HydrophobicContact CG1-CG2 4.33Å |
| 703 | I | 86.6 | Confident | 87.4 | Confident | 37 Ų | 37 | 53.8 Ų | 53.8 | 19% | 0.19 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.8 | -179.1 | -55.1 | 174.4 | 0 | 0 | 0 | 108.2 | E620 H621 F622 L623 H858 | E620-I703 HydrophobicContact CB-CD1 4.49Å; E620-I703 HydrophobicContact CG-CD1 4.43Å; H621-I703 PolarHBondContact O-N 3.3Å; F622-I703 CarbonylContact C-O 3.42Å; F622-I703 WeakPolarHBondContact CA-O 3.3Å; F622-I703 HydrophobicContact CD2-CB 4.48Å; F622-I703 HydrophobicContact CD2-CG2 4.23Å; L623-I703 PolarHBondContact N-O 2.75Å; I703-H858 WeakPolarHBondContact CD1-NE2 3.37Å |
| 704 | V | 88 | Confident | 87.4 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 129.4 | -176.7 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | L623 I625 V675 K677 A680 V702 | L623-V704 HydrophobicContact CB-CG2 4.48Å; L623-V704 WeakPolarHBondContact O-CA 3.47Å; I625-V704 HydrophobicContact CB-CG1 4.12Å; I625-V704 HydrophobicContact CG1-CG1 4.31Å; V675-V704 HydrophobicContact CG1-CB 4.23Å; V675-V704 HydrophobicContact CG1-CG1 3.5Å; V675-V704 HydrophobicContact CG1-CG2 3.7Å; K677-V704 HydrophobicContact CG-CG1 4.3Å; A680-V704 HydrophobicContact CB-CG2 4.22Å; V702-V704 HydrophobicContact CG1-CG2 4.33Å |
| 705 | G | 85.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.6 | -155.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L623 E624 I625 D734 | L623-G705 PolarHBondContact O-N 3.49Å; E624-G705 WeakPolarHBondContact CA-O 3.47Å; I625-G705 PolarHBondContact N-O 2.78Å; G705-D734 CarbonylContact C-O 3.47Å; G705-D734 WeakPolarHBondContact CA-O 3.44Å |
| 706 | E | 83.1 | Confident | 87.2 | Confident | 95 Ų | 95 | 49.9 Ų | 49.9 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137.2 | -175.8 | -66.3 | 179.4 | -170.8 | 0 | 0 | 110.9 | I625 D734 | I625-E706 HydrophobicContact CG2-CG 3.77Å; E706-D734 HydrophobicContact CB-CB 4.06Å; E706-D734 HydrophobicContact CG-CB 4.44Å; E706-D734 PolarHBondContact N-O 2.7Å; E706-D734 PolarHBondContact O-N 3.14Å; E706-D734 VanDerWaalsContact O-O 3.12Å |
| 707 | K | 77.2 | Confident | 86.8 | Confident | 79 Ų | 79 | 50 Ų | 50 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 146.8 | 178.4 | 64.8 | 178.6 | 167.9 | -76.7 | 0 | 112.2 | E624 Q709 I860 | E624-K707 WeakPolarHBondContact OE1-CG 3.48Å; E624-K707 IonicContact OE1-NZ 2.72Å; E624-K707 PolarHBondContact OE1-NZ 2.91Å; E624-K707 IonicContact OE2-NZ 2.89Å; E624-K707 PolarHBondContact OE2-NZ 3.38Å; K707-Q709 PolarHBondContact O-N 2.71Å; K707-I860 HydrophobicContact CB-CD1 4.4Å; K707-I860 HydrophobicContact CB-CG2 4.08Å |
| 708 | P | 81.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53 | 131.2 | 171.5 | -32.3 | 40.1 | 0 | 0 | 0 | 113.9 | S732 P737 N856 I860 T862 | P708-S732 CarbonylContact C-O 3.56Å; P708-S732 VanDerWaalsContact CA-O 3.26Å; P708-S732 WeakPolarHBondContact CA-O 3.23Å; P708-P737 HydrophobicContact CB-CB 3.94Å; P708-P737 HydrophobicContact CB-CG 4.48Å; P708-P737 HydrophobicContact CG-CB 4.11Å; P708-N856 HydrophobicContact CG-CB 4.01Å; P708-I860 HydrophobicContact CG-CB 4.49Å; P708-T862 WeakPolarHBondContact O-CB 3.34Å; P708-T862 PolarHBondContact O-OG1 2.67Å |
| 709 | Q | 83.1 | Confident | 86.2 | Confident | 101 Ų | 101 | 50 Ų | 50 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 133.8 | 174.1 | -58.8 | -175 | 27.3 | 0 | 0 | 109.5 | K707 S711 A731 S732 | K707-Q709 PolarHBondContact O-N 2.71Å; Q709-S711 PolarHBondContact O-N 3.25Å; Q709-A731 CarbonylContact O-C 3.58Å; Q709-A731 WeakPolarHBondContact O-CA 3.39Å; Q709-A731 VanDerWaalsContact O-CB 3.26Å; Q709-A731 WeakPolarHBondContact O-CB 3.19Å; Q709-S732 PolarHBondContact N-O 3Å; Q709-S732 PolarHBondContact O-N 2.96Å |
| 710 | I | 85.7 | Confident | 85.8 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 12% | 0.123 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 117 | 171.1 | -65.4 | 170.1 | 0 | 0 | 0 | 107.2 | I713 H730 A731 C852 A854 T862 Q864 | I710-I713 HydrophobicContact CG2-CB 4.44Å; I710-H730 CarbonylContact C-O 3.56Å; I710-H730 WeakPolarHBondContact CA-O 3.31Å; I710-A731 HydrophobicContact CG1-CB 4.45Å; I710-C852 HydrophobicContact CD1-CB 4.23Å; I710-A854 HydrophobicContact CD1-CB 4.44Å; I710-A854 HydrophobicContact CG1-CB 3.83Å; I710-T862 HydrophobicContact CD1-CG2 4.31Å; I710-T862 HydrophobicContact CG1-CG2 4.13Å; I710-Q864 HydrophobicContact CD1-CB 3.83Å; I710-Q864 HydrophobicContact CG2-CB 4.48Å; I710-Q864 VanDerWaalsContact CG2-OE1 3.25Å |
| 711 | S | 83.7 | Confident | 85.5 | Confident | 83 Ų | 83 | 53.2 Ų | 53.2 | 58% | 0.58 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -27.2 | -176.7 | 54.9 | 0 | 0 | 0 | 0 | 112.8 | Q709 H730 | Q709-S711 PolarHBondContact O-N 3.25Å; S711-H730 PolarHBondContact N-O 3.15Å; S711-H730 PolarHBondContact OG-O 3.12Å |
| 712 | Q | 85.9 | Confident | 85 | Confident | 123 Ų | 123 | 53.3 Ų | 53.3 | 58% | 0.575 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 145.6 | 177.8 | -171.7 | 176.5 | 4.2 | 0 | 0 | 110.7 | C729 H730 | Q712-C729 CarbonylContact O-C 3.54Å; Q712-C729 WeakPolarHBondContact O-CA 3.22Å; Q712-H730 HydrophobicContact CB-CB 4.32Å; Q712-H730 PolarHBondContact N-O 2.74Å; Q712-H730 PolarHBondContact O-N 2.88Å |
| 713 | I | 89.3 | Confident | 84.9 | Confident | 32 Ų | 32 | 56.7 Ų | 56.7 | 16% | 0.164 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 153.9 | 169.4 | -154.9 | 174.4 | 0 | 0 | 0 | 110.3 | I710 N728 C729 W741 C852 Q864 V866 | I710-I713 HydrophobicContact CG2-CB 4.44Å; I713-N728 CarbonylContact C-O 3.57Å; I713-N728 VanDerWaalsContact CA-O 3.31Å; I713-N728 WeakPolarHBondContact CA-O 3.46Å; I713-N728 WeakPolarHBondContact CG1-O 3.47Å; I713-C729 HydrophobicContact CG1-CB 4.12Å; I713-W741 HydrophobicContact CD1-CH2 4.03Å; I713-W741 HydrophobicContact CD1-CZ3 4.17Å; I713-W741 HydrophobicContact CG1-CH2 3.92Å; I713-C852 HydrophobicContact CD1-CB 3.49Å; I713-C852 VanDerWaalsContact CD1-CB 3.49Å; I713-C852 HydrophobicContact CG1-CB 4.33Å; I713-Q864 HydrophobicContact CD1-CB 4.01Å; I713-Q864 HydrophobicContact CD1-CG 4.33Å; I713-Q864 WeakPolarHBondContact CD1-O 3.47Å; I713-Q864 HydrophobicContact CG2-CG 4Å; I713-V866 HydrophobicContact CD1-CG2 3.51Å; I713-V866 HydrophobicContact CG1-CG2 3.59Å; I713-V866 HydrophobicContact CG2-CG2 4.26Å |
| 714 | S | 87.8 | Confident | 84.8 | Confident | 25 Ų | 25 | 59.6 Ų | 59.6 | 18% | 0.175 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 146 | 175.8 | -77.3 | 0 | 0 | 0 | 0 | 113.5 | N728 V866 | S714-N728 PolarHBondContact N-O 2.88Å; S714-N728 PolarHBondContact OG-N 3.04Å; S714-V866 VanDerWaalsContact O-CG1 3.22Å; S714-V866 WeakPolarHBondContact O-CG1 3.45Å; S714-V866 WeakPolarHBondContact O-CG2 2.95Å |
| 715 | A | 86.1 | Confident | 84.7 | Confident | 81 Ų | 81 | 59 Ų | 59 | 67% | 0.669 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 163.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q717 V866 | A715-Q717 WeakPolarHBondContact O-CG 3.13Å; A715-V866 WeakPolarHBondContact O-CG1 3.39Å |
| 716 | N | 88.1 | Confident | 84.9 | Confident | 94 Ų | 94 | 62.4 Ų | 62.4 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 134.7 | 179.8 | -54.5 | -53.1 | 0 | 0 | 0 | 111.7 | F867 R1143 | N716-F867 CarbonylContact C-O 3.54Å; N716-F867 VanDerWaalsContact CA-O 3.25Å; N716-F867 WeakPolarHBondContact CA-O 3.2Å; N716-F867 WeakPolarHBondContact CB-O 3.21Å; N716-F867 PolarHBondContact OD1-N 3.37Å; N716-R1143 PolarHBondContact ND2-NH1 2.98Å; N716-R1143 VanDerWaalsContact ND2-NH1 3.13Å; N716-R1143 VanDerWaalsContact OD1-CZ 3.31Å; N716-R1143 PolarHBondContact OD1-NH1 3.27Å; N716-R1143 PolarHBondContact OD1-NH2 3.1Å |
| 717 | Q | 84.9 | Confident | 85.3 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 23% | 0.234 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 147.3 | -175.6 | -56.4 | -171.8 | 10.4 | 0 | 0 | 110.7 | A715 I726 L727 F867 V868 R869 | A715-Q717 WeakPolarHBondContact O-CG 3.13Å; Q717-I726 PolarHBondContact NE2-O 3.16Å; Q717-L727 HydrophobicContact CG-CD2 4.44Å; Q717-F867 PolarHBondContact N-O 3.37Å; Q717-V868 WeakPolarHBondContact O-CA 3.2Å; Q717-R869 PolarHBondContact O-N 2.87Å |
| 718 | T | 86.2 | Confident | 85.9 | Confident | 76 Ų | 76 | 56.9 Ų | 56.9 | 47% | 0.466 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 118.3 | 168.4 | -61.7 | 0 | 0 | 0 | 0 | 107.2 | R869 L871 | T718-R869 CarbonylContact C-O 3.58Å; T718-R869 WeakPolarHBondContact CA-O 3.21Å; T718-R869 HydrophobicContact CG2-CB 4.21Å; T718-R869 HydrophobicContact CG2-CG 4.35Å; T718-L871 HydrophobicContact CG2-CD1 3.54Å; T718-L871 HydrophobicContact CG2-CG 3.95Å |
| 719 | I | 84.7 | Confident | 86.2 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.6 | -163.7 | -164.1 | 71.9 | 0 | 0 | 0 | 111.2 | N723 V725 V842 V868 R869 V870 L871 | I719-N723 HydrophobicContact CD1-CB 3.71Å; I719-N723 HydrophobicContact CG1-CB 3.73Å; I719-V725 HydrophobicContact CB-CG2 4.02Å; I719-V725 HydrophobicContact CD1-CG2 4.41Å; I719-V725 HydrophobicContact CG1-CG2 3.92Å; I719-V725 HydrophobicContact CG2-CG2 3.89Å; I719-V842 HydrophobicContact CG2-CB 4.39Å; I719-V842 HydrophobicContact CG2-CG1 3.77Å; I719-V842 HydrophobicContact CG2-CG2 4.48Å; I719-V868 HydrophobicContact CG2-CG1 3.99Å; I719-R869 PolarHBondContact N-O 3.4Å; I719-V870 HydrophobicContact CG2-CB 4.48Å; I719-V870 HydrophobicContact CG2-CG1 4.42Å; I719-V870 HydrophobicContact CG2-CG2 3.98Å; I719-V870 CarbonylContact O-C 3.53Å; I719-V870 WeakPolarHBondContact O-CA 3.23Å; I719-L871 PolarHBondContact O-N 3.1Å |
| 720 | R | 83.7 | Confident | 86.5 | Confident | 87 Ų | 87 | 55.2 Ų | 55.2 | 33% | 0.328 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 141.6 | 171.9 | -175.7 | 175.4 | 167.2 | 152.5 | -4.6 | 110.3 | G722 N723 L871 Y876 | R720-G722 PolarHBondContact O-N 2.78Å; R720-N723 PolarHBondContact O-N 3.15Å; R720-L871 WeakPolarHBondContact CA-O 3.27Å; R720-Y876 HydrophobicContact CB-CD2 3.77Å; R720-Y876 HydrophobicContact CB-CE2 4.04Å; R720-Y876 HydrophobicContact CB-CG 4.09Å; R720-Y876 HydrophobicContact CG-CD2 4.33Å; R720-Y876 HydrophobicContact CG-CG 4.14Å |
| 721 | V | 84 | Confident | 86.5 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 132.8 | 170.3 | 173 | 0 | 0 | 0 | 0 | 110.6 | V842 L844 V870 L871 | V721-V842 WeakPolarHBondContact CA-O 3.44Å; V721-L844 HydrophobicContact CG2-CD2 3.55Å; V721-L844 HydrophobicContact CG2-CG 3.66Å; V721-V870 HydrophobicContact CG2-CG1 3.64Å; V721-L871 WeakPolarHBondContact CG2-O 3.45Å; V721-L871 PolarHBondContact N-O 3.46Å |
| 722 | G | 80.4 | Confident | 86.6 | Confident | 44 Ų | 44 | 53.2 Ų | 53.2 | 45% | 0.454 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.7 | -21.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R720 V842 | R720-G722 PolarHBondContact O-N 2.78Å; G722-V842 PolarHBondContact N-O 3.43Å |
| 723 | N | 86.3 | Confident | 86.3 | Confident | 74 Ų | 74 | 48 Ų | 48 | 40% | 0.396 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -73.6 | 172.2 | 178 | -67.2 | 19.4 | 0 | 0 | 0 | 112 | I719 R720 Q841 V842 | I719-N723 HydrophobicContact CD1-CB 3.71Å; I719-N723 HydrophobicContact CG1-CB 3.73Å; R720-N723 PolarHBondContact O-N 3.15Å; N723-Q841 PolarHBondContact O-N 3.36Å; N723-V842 WeakPolarHBondContact O-CB 3.33Å; N723-V842 VanDerWaalsContact O-CG2 3.29Å; N723-V842 WeakPolarHBondContact O-CG2 3.35Å; N723-V842 PolarHBondContact O-N 2.79Å |
| 724 | Q | 84.9 | Confident | 85.9 | Confident | 99 Ų | 99 | 49 Ų | 49 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | trans | -94.5 | 143.9 | 170.8 | -176.2 | 172.7 | -72.7 | 0 | 0 | 111.2 | I726 I838 I839 | Q724-I726 HydrophobicContact CG-CG1 4.45Å; Q724-I838 HydrophobicContact CG-CG2 3.9Å; Q724-I839 CarbonylContact C-O 3.44Å; Q724-I839 VanDerWaalsContact CA-O 3.3Å; Q724-I839 WeakPolarHBondContact CA-O 3.33Å; Q724-I839 WeakPolarHBondContact CG-O 3.4Å | ||
| 725 | V | 87.1 | Confident | 85.5 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 142.8 | 167.5 | 155.4 | 0 | 0 | 0 | 0 | 109.6 | I719 L727 I839 V842 V868 | I719-V725 HydrophobicContact CB-CG2 4.02Å; I719-V725 HydrophobicContact CD1-CG2 4.41Å; I719-V725 HydrophobicContact CG1-CG2 3.92Å; I719-V725 HydrophobicContact CG2-CG2 3.89Å; V725-L727 HydrophobicContact CG1-CD1 4.48Å; V725-L727 HydrophobicContact CG1-CD2 3.83Å; V725-L727 HydrophobicContact CG1-CG 3.84Å; V725-I839 HydrophobicContact CB-CB 4.2Å; V725-I839 HydrophobicContact CB-CD1 4.36Å; V725-I839 HydrophobicContact CG1-CD1 3.99Å; V725-I839 HydrophobicContact CG1-CG1 4.47Å; V725-I839 PolarHBondContact N-O 2.73Å; V725-I839 PolarHBondContact O-N 2.69Å; V725-V842 HydrophobicContact CB-CG2 3.96Å; V725-V842 HydrophobicContact CG2-CG2 3.82Å; V725-V868 HydrophobicContact CG1-CG2 4.16Å; V725-V868 HydrophobicContact CG2-CG1 4.1Å |
| 726 | I | 88.8 | Confident | 85.1 | Confident | 72 Ų | 72 | 52.7 Ų | 52.7 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 124 | 173 | -56.5 | 177.5 | 0 | 0 | 0 | 107.5 | Q717 Q724 N728 I838 | Q717-I726 PolarHBondContact NE2-O 3.16Å; Q724-I726 HydrophobicContact CG-CG1 4.45Å; I726-N728 WeakPolarHBondContact CG2-OD1 3.29Å; I726-I838 HydrophobicContact CG1-CG1 4.23Å; I726-I838 HydrophobicContact CG1-CG2 4.36Å; I726-I838 HydrophobicContact CG2-CG1 4.27Å |
| 727 | L | 91.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 116 | 175.5 | -53.2 | 179.2 | 0 | 0 | 0 | 108.6 | Q717 V725 W741 S836 L837 Y850 V866 V868 | Q717-L727 HydrophobicContact CG-CD2 4.44Å; V725-L727 HydrophobicContact CG1-CD1 4.48Å; V725-L727 HydrophobicContact CG1-CD2 3.83Å; V725-L727 HydrophobicContact CG1-CG 3.84Å; L727-W741 HydrophobicContact CB-CH2 3.66Å; L727-W741 HydrophobicContact CB-CZ2 4.04Å; L727-W741 HydrophobicContact CB-CZ3 4.13Å; L727-W741 HydrophobicContact CD1-CZ3 4.32Å; L727-W741 WeakPolarHBondContact O-CZ2 3.4Å; L727-S836 CarbonylContact O-C 3.51Å; L727-S836 WeakPolarHBondContact O-CA 3.3Å; L727-L837 HydrophobicContact CB-CB 4.41Å; L727-L837 HydrophobicContact CD1-CD2 4.44Å; L727-L837 PolarHBondContact N-O 3.09Å; L727-L837 PolarHBondContact O-N 3.07Å; L727-Y850 HydrophobicContact CD1-CD1 3.78Å; L727-Y850 HydrophobicContact CD1-CD2 3.81Å; L727-Y850 HydrophobicContact CD1-CG 3.37Å; L727-V866 HydrophobicContact CD2-CG1 4.06Å; L727-V868 HydrophobicContact CD1-CG2 4.15Å; L727-V868 HydrophobicContact CD2-CG2 4.08Å |
| 728 | N | 90.6 | Very high | 84.6 | Confident | 59 Ų | 59 | 53.7 Ų | 53.7 | 32% | 0.316 | 29% | 0.29 | S | S | . | . | trans | -97.8 | 147.5 | 177.6 | -66.6 | -17.3 | 0 | 0 | 0 | 110.1 | I713 S714 I726 S836 | I713-N728 CarbonylContact C-O 3.57Å; I713-N728 VanDerWaalsContact CA-O 3.31Å; I713-N728 WeakPolarHBondContact CA-O 3.46Å; I713-N728 WeakPolarHBondContact CG1-O 3.47Å; S714-N728 PolarHBondContact N-O 2.88Å; S714-N728 PolarHBondContact OG-N 3.04Å; I726-N728 WeakPolarHBondContact CG2-OD1 3.29Å; N728-S836 WeakPolarHBondContact OD1-CB 3.38Å; N728-S836 PolarHBondContact OD1-OG 2.8Å | ||
| 729 | C | 88.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 136.8 | 169.3 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | Q712 I713 I739 W741 G835 C852 | Q712-C729 CarbonylContact O-C 3.54Å; Q712-C729 WeakPolarHBondContact O-CA 3.22Å; I713-C729 HydrophobicContact CG1-CB 4.12Å; C729-I739 HydrophobicContact CB-CG2 4.27Å; C729-I739 WeakPolarHBondContact O-CD1 3.01Å; C729-W741 HydrophobicContact CB-CH2 4.01Å; C729-W741 HydrophobicContact CB-CZ2 3.48Å; C729-W741 VanDerWaalsContact CB-CZ2 3.48Å; C729-G835 PolarHBondContact N-O 3.38Å; C729-G835 WeakPolarHBondContact O-CA 3.03Å; C729-C852 HydrophobicContact CB-CB 3.63Å; C729-C852 WeakPolarHBondContact CB-SG 3.32Å; C729-C852 WeakPolarHBondContact SG-CB 3.11Å; C729-C852 CovalentContact SG-SG 2.03Å; C729-C852 PolarHBondContact SG-SG 3.31Å |
| 730 | H | 90 | Very high | 84.2 | Confident | 65 Ų | 65 | 51 Ų | 51 | 30% | 0.301 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.7 | 175 | -59.3 | -47.7 | 0 | 0 | 0 | 109.5 | I710 S711 Q712 N834 | I710-H730 CarbonylContact C-O 3.56Å; I710-H730 WeakPolarHBondContact CA-O 3.31Å; S711-H730 PolarHBondContact N-O 3.15Å; S711-H730 PolarHBondContact OG-O 3.12Å; Q712-H730 HydrophobicContact CB-CB 4.32Å; Q712-H730 PolarHBondContact N-O 2.74Å; Q712-H730 PolarHBondContact O-N 2.88Å; H730-N834 PolarHBondContact ND1-O 3.47Å |
| 731 | A | 85 | Confident | 84.1 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 11% | 0.107 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 150.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q709 I710 P737 I739 A854 | Q709-A731 CarbonylContact O-C 3.58Å; Q709-A731 WeakPolarHBondContact O-CA 3.39Å; Q709-A731 VanDerWaalsContact O-CB 3.26Å; Q709-A731 WeakPolarHBondContact O-CB 3.19Å; I710-A731 HydrophobicContact CG1-CB 4.45Å; A731-P737 HydrophobicContact CB-CB 4.5Å; A731-P737 HydrophobicContact CB-CG 3.66Å; A731-I739 HydrophobicContact CB-CD1 4.04Å; A731-I739 HydrophobicContact CB-CG1 4.24Å; A731-A854 HydrophobicContact CB-CB 3.45Å; A731-A854 VanDerWaalsContact CB-CB 3.45Å |
| 732 | S | 85.1 | Confident | 83.8 | Confident | 52 Ų | 52 | 45.5 Ų | 45.5 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 165.2 | 176.7 | 56.3 | 0 | 0 | 0 | 0 | 111 | P708 Q709 | P708-S732 CarbonylContact C-O 3.56Å; P708-S732 VanDerWaalsContact CA-O 3.26Å; P708-S732 WeakPolarHBondContact CA-O 3.23Å; Q709-S732 PolarHBondContact N-O 3Å; Q709-S732 PolarHBondContact O-N 2.96Å |
| 733 | G | 81 | Confident | 83.7 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.4 | 166.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P735 H736 | G733-P735 CarbonylContact C-O 3.57Å; G733-P735 CarbonylContact O-C 3.45Å; G733-H736 WeakPolarHBondContact O-CA 3.3Å; G733-H736 PolarHBondContact O-N 3.26Å |
| 734 | D | 80.5 | Confident | 82.9 | Confident | 54 Ų | 54 | 40.9 Ų | 40.9 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 107.6 | -179.9 | -176.3 | 12.4 | 0 | 0 | 0 | 110.4 | K677 G705 E706 | K677-D734 WeakPolarHBondContact CE-OD2 3.17Å; K677-D734 IonicContact NZ-OD2 2.8Å; K677-D734 PolarHBondContact NZ-OD2 3.01Å; G705-D734 CarbonylContact C-O 3.47Å; G705-D734 WeakPolarHBondContact CA-O 3.44Å; E706-D734 HydrophobicContact CB-CB 4.06Å; E706-D734 HydrophobicContact CG-CB 4.44Å; E706-D734 PolarHBondContact N-O 2.7Å; E706-D734 PolarHBondContact O-N 3.14Å; E706-D734 VanDerWaalsContact O-O 3.12Å |
| 735 | P | 79 | Confident | 82.1 | Confident | 38 Ų | 38 | 37.7 Ų | 37.7 | 25% | 0.247 | 20% | 0.199 | C | C | . | . | S | Bend | cis | -64.3 | 154.6 | 0.8 | -23.4 | 35 | 0 | 0 | 0 | 113.8 | G733 N856 K857 H858 | G733-P735 CarbonylContact C-O 3.57Å; G733-P735 CarbonylContact O-C 3.45Å; P735-N856 VanDerWaalsContact O-CB 3.26Å; P735-N856 WeakPolarHBondContact O-CB 3.41Å; P735-N856 PolarHBondContact O-ND2 2.88Å; P735-K857 HydrophobicContact CG-CG 4.5Å; P735-H858 VanDerWaalsContact CD-CE1 3.44Å; P735-H858 WeakPolarHBondContact CD-CE1 3.43Å |
| 736 | H | 77.6 | Confident | 80.7 | Confident | 144 Ų | 144 | 40 Ų | 40 | 67% | 0.667 | 21% | 0.214 | S | C | * | . | P | Polyproline II helix | trans | -54.8 | 135 | -178.5 | -167.5 | 77.1 | 0 | 0 | 0 | 112.1 | G733 | G733-H736 WeakPolarHBondContact O-CA 3.3Å; G733-H736 PolarHBondContact O-N 3.26Å |
| 737 | P | 81.6 | Confident | 78.7 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 4% | 0.039 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -79.5 | 140.9 | -176.8 | 31.4 | -35.2 | 0 | 0 | 0 | 113 | P708 A731 A854 G855 | P708-P737 HydrophobicContact CB-CB 3.94Å; P708-P737 HydrophobicContact CB-CG 4.48Å; P708-P737 HydrophobicContact CG-CB 4.11Å; A731-P737 HydrophobicContact CB-CB 4.5Å; A731-P737 HydrophobicContact CB-CG 3.66Å; P737-A854 HydrophobicContact CB-CB 4.15Å; P737-G855 CarbonylContact C-O 3.52Å; P737-G855 WeakPolarHBondContact CA-O 3.43Å |
| 738 | Q | 80.3 | Confident | 76.6 | Confident | 159 Ų | 159 | 43.1 Ų | 43.1 | 74% | 0.743 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 139.9 | 161.6 | -66.9 | 176.3 | -22.1 | 0 | 0 | 109.3 | A854 G855 | Q738-A854 WeakPolarHBondContact O-CA 3.38Å; Q738-G855 PolarHBondContact N-O 3.4Å; Q738-G855 PolarHBondContact O-N 3.47Å |
| 739 | I | 82.3 | Confident | 74.2 | Confident | 19 Ų | 19 | 42 Ų | 42 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139.6 | 179.5 | -64.3 | 176.2 | 0 | 0 | 0 | 109.9 | C729 A731 P756 A854 | C729-I739 HydrophobicContact CB-CG2 4.27Å; C729-I739 WeakPolarHBondContact O-CD1 3.01Å; A731-I739 HydrophobicContact CB-CD1 4.04Å; A731-I739 HydrophobicContact CB-CG1 4.24Å; I739-P756 WeakPolarHBondContact O-CD 3.44Å; I739-P756 WeakPolarHBondContact O-CG 3.47Å; I739-A854 HydrophobicContact CG1-CB 4.33Å |
| 740 | S | 81.3 | Confident | 72 | Confident | 26 Ų | 26 | 43.7 Ų | 43.7 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 162.7 | 174.9 | 57.2 | 0 | 0 | 0 | 0 | 110.1 | C852 V853 | S740-C852 CarbonylContact O-C 3.5Å; S740-C852 WeakPolarHBondContact O-CA 3.38Å; S740-V853 PolarHBondContact N-O 2.78Å; S740-V853 PolarHBondContact O-N 3.45Å; S740-V853 PolarHBondContact OG-O 3.45Å; S740-V853 VanDerWaalsContact OG-O 3.13Å |
| 741 | W | 81.3 | Confident | 70.1 | Confident | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141 | -179 | -71.8 | 88.1 | 0 | 0 | 0 | 111.8 | I713 L727 C729 V753 Y754 G835 L837 I851 C852 V866 | I713-W741 HydrophobicContact CD1-CH2 4.03Å; I713-W741 HydrophobicContact CD1-CZ3 4.17Å; I713-W741 HydrophobicContact CG1-CH2 3.92Å; L727-W741 HydrophobicContact CB-CH2 3.66Å; L727-W741 HydrophobicContact CB-CZ2 4.04Å; L727-W741 HydrophobicContact CB-CZ3 4.13Å; L727-W741 HydrophobicContact CD1-CZ3 4.32Å; L727-W741 WeakPolarHBondContact O-CZ2 3.4Å; C729-W741 HydrophobicContact CB-CH2 4.01Å; C729-W741 HydrophobicContact CB-CZ2 3.48Å; C729-W741 VanDerWaalsContact CB-CZ2 3.48Å; W741-V753 CarbonylContact O-C 3.52Å; W741-V753 VanDerWaalsContact O-CA 3.29Å; W741-V753 WeakPolarHBondContact O-CA 3.36Å; W741-Y754 PolarHBondContact N-O 2.99Å; W741-Y754 PolarHBondContact O-N 2.03Å; W741-G835 WeakPolarHBondContact CZ2-O 3.43Å; W741-G835 PolarHBondContact NE1-O 2.92Å; W741-L837 HydrophobicContact CB-CD1 4.3Å; W741-L837 HydrophobicContact CB-CD2 4.12Å; W741-L837 HydrophobicContact CD2-CB 4.01Å; W741-L837 HydrophobicContact CD2-CD2 4.25Å; W741-L837 HydrophobicContact CG-CB 3.98Å; W741-L837 HydrophobicContact CG-CD1 4.31Å; W741-L837 HydrophobicContact CG-CD2 4.1Å; W741-L837 HydrophobicContact CG-CG 4.37Å; W741-L837 HydrophobicContact CZ2-CB 4.44Å; W741-I851 CarbonylContact C-O 3.45Å; W741-I851 WeakPolarHBondContact CA-O 3.23Å; W741-C852 HydrophobicContact CD2-CB 4.34Å; W741-C852 HydrophobicContact CE3-CB 4.14Å; W741-C852 HydrophobicContact CH2-CB 4.1Å; W741-C852 HydrophobicContact CZ2-CB 4.29Å; W741-C852 HydrophobicContact CZ3-CB 4.02Å; W741-V866 HydrophobicContact CH2-CG2 4.48Å; W741-V866 HydrophobicContact CZ3-CG2 4.34Å |
| 742 | I | 76.6 | Confident | 69 | Low | 14 Ų | 14 | 43.4 Ų | 43.4 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 112 | -178.4 | -66.3 | -170.4 | 0 | 0 | 0 | 108 | P751 V753 I851 V853 | I742-P751 HydrophobicContact CG2-CB 3.46Å; I742-P751 VanDerWaalsContact CG2-CB 3.46Å; I742-P751 HydrophobicContact CG2-CG 3.74Å; I742-V753 HydrophobicContact CG1-CG1 4.45Å; I742-V753 HydrophobicContact CG1-CG2 4.32Å; I742-I851 HydrophobicContact CB-CB 4.2Å; I742-I851 PolarHBondContact N-O 3.48Å; I742-I851 PolarHBondContact O-N 2.98Å; I742-V853 HydrophobicContact CD1-CG2 3.54Å; I742-V853 HydrophobicContact CG1-CG2 3.89Å |
| 743 | V | 79.6 | Confident | 68.1 | Low | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 125.5 | -176.8 | -169.7 | 0 | 0 | 0 | 0 | 110.5 | K745 P751 S752 Y754 A848 Y850 T1138 | V743-K745 HydrophobicContact CG1-CG 4.13Å; V743-P751 WeakPolarHBondContact O-CA 3.11Å; V743-P751 WeakPolarHBondContact O-CB 3.44Å; V743-S752 PolarHBondContact N-O 2.89Å; V743-S752 PolarHBondContact O-N 2.88Å; V743-S752 VanDerWaalsContact O-N 3.07Å; V743-Y754 HydrophobicContact CB-CE2 4.34Å; V743-Y754 HydrophobicContact CG2-CD2 3.7Å; V743-Y754 HydrophobicContact CG2-CE2 3.5Å; V743-Y754 VanDerWaalsContact CG2-CE2 3.5Å; V743-A848 HydrophobicContact CG1-CB 3.82Å; V743-Y850 HydrophobicContact CB-CD1 4.21Å; V743-Y850 HydrophobicContact CB-CE1 4.14Å; V743-Y850 HydrophobicContact CG1-CD1 3.88Å; V743-Y850 HydrophobicContact CG1-CE1 3.49Å; V743-Y850 VanDerWaalsContact CG1-CE1 3.49Å; V743-Y850 HydrophobicContact CG1-CE2 4.34Å; V743-Y850 HydrophobicContact CG1-CG 4.42Å; V743-Y850 HydrophobicContact CG2-CD1 3.44Å; V743-Y850 VanDerWaalsContact CG2-CD1 3.44Å; V743-Y850 HydrophobicContact CG2-CE1 3.51Å; V743-Y850 HydrophobicContact CG2-CG 4.42Å; V743-T1138 WeakPolarHBondContact O-CB 3.41Å; V743-T1138 WeakPolarHBondContact O-CG2 3.49Å |
| 744 | K | 69.4 | Low | 67.5 | Low | 20 Ų | 20 | 45.1 Ų | 45.1 | 9% | 0.087 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 106.3 | -169.1 | 102.9 | 173.1 | -90.4 | -156.2 | 0 | 107.9 | E849 I851 P1139 L1140 D1141 | K744-E849 HydrophobicContact CG-CB 4.01Å; K744-E849 PolarHBondContact N-O 3.24Å; K744-E849 PolarHBondContact O-N 2.88Å; K744-I851 HydrophobicContact CD-CD1 3.46Å; K744-I851 VanDerWaalsContact CD-CD1 3.46Å; K744-I851 HydrophobicContact CD-CG1 4.36Å; K744-I851 HydrophobicContact CG-CD1 4.39Å; K744-P1139 WeakPolarHBondContact CB-O 3.22Å; K744-P1139 WeakPolarHBondContact CD-O 3.47Å; K744-P1139 WeakPolarHBondContact CE-O 3.49Å; K744-P1139 WeakPolarHBondContact CG-O 3.41Å; K744-L1140 VanDerWaalsContact CE-O 3.31Å; K744-L1140 WeakPolarHBondContact CE-O 2.95Å; K744-L1140 WeakPolarHBondContact O-CD1 3.34Å; K744-D1141 HydrophobicContact CD-CB 3.91Å; K744-D1141 HydrophobicContact CG-CB 4.41Å; K744-D1141 IonicContact NZ-OD2 2.67Å; K744-D1141 PolarHBondContact NZ-OD2 3.42Å |
| 745 | K | 67.4 | Low | 66.7 | Low | 32 Ų | 32 | 46 Ų | 46 | 14% | 0.139 | 25% | 0.249 | C | C | . | . | trans | -105.6 | 159.6 | -162.1 | -61.6 | -166.3 | 168.3 | -165.8 | 0 | 112.2 | V743 Y748 S845 D846 A848 T1138 L1140 | V743-K745 HydrophobicContact CG1-CG 4.13Å; K745-Y748 HydrophobicContact CB-CD1 3.81Å; K745-Y748 HydrophobicContact CB-CE1 4.47Å; K745-Y748 HydrophobicContact CB-CG 4.4Å; K745-Y748 HydrophobicContact CD-CE1 4.48Å; K745-S845 WeakPolarHBondContact CD-O 3.3Å; K745-S845 WeakPolarHBondContact CE-O 3.18Å; K745-S845 PolarHBondContact NZ-O 2.82Å; K745-D846 IonicContact NZ-OD1 2.76Å; K745-D846 PolarHBondContact NZ-OD1 3.12Å; K745-A848 HydrophobicContact CB-CB 4.32Å; K745-A848 HydrophobicContact CG-CB 3.72Å; K745-T1138 WeakPolarHBondContact CB-OG1 3.48Å; K745-T1138 VanDerWaalsContact CG-OG1 3.29Å; K745-T1138 WeakPolarHBondContact CG-OG1 3.41Å; K745-T1138 PolarHBondContact N-O 3.16Å; K745-T1138 VanDerWaalsContact N-O 3.14Å; K745-T1138 PolarHBondContact N-OG1 2.89Å; K745-L1140 VanDerWaalsContact O-CB 3.31Å; K745-L1140 WeakPolarHBondContact O-CB 3.04Å; K745-L1140 PolarHBondContact O-N 3.37Å | ||
| 746 | P | 57.5 | Low | 65.6 | Low | 49 Ų | 49 | 45.5 Ų | 45.5 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 140.9 | 176.4 | -20.2 | 29.2 | 0 | 0 | 0 | 113.8 | Y748 Q847 L1140 | P746-Y748 VanDerWaalsContact C-N 3.3Å; P746-Y748 WeakPolarHBondContact O-CB 3.46Å; P746-Y748 WeakPolarHBondContact O-CD2 3.47Å; P746-Y748 PolarHBondContact O-N 2.58Å; P746-Q847 WeakPolarHBondContact CD-O 3.38Å; P746-Q847 HydrophobicContact CG-CG 4.38Å; P746-L1140 HydrophobicContact CB-CD2 3.93Å; P746-L1140 HydrophobicContact CG-CD1 4.41Å; P746-L1140 HydrophobicContact CG-CD2 3.89Å |
| 747 | G | 48.1 | Very low | 64.2 | Low | 45 Ų | 45 | 45.9 Ų | 45.9 | 46% | 0.464 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 4.1 | 172 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 748 | Y | 47.2 | Very low | 62.1 | Low | 94 Ų | 94 | 50.5 Ų | 50.5 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | trans | -123.9 | -178.2 | -151.9 | -88.7 | -151.7 | 0 | 0 | 0 | 110.9 | K745 P746 P1137 T1138 P1139 | K745-Y748 HydrophobicContact CB-CD1 3.81Å; K745-Y748 HydrophobicContact CB-CE1 4.47Å; K745-Y748 HydrophobicContact CB-CG 4.4Å; K745-Y748 HydrophobicContact CD-CE1 4.48Å; P746-Y748 VanDerWaalsContact C-N 3.3Å; P746-Y748 WeakPolarHBondContact O-CB 3.46Å; P746-Y748 WeakPolarHBondContact O-CD2 3.47Å; P746-Y748 PolarHBondContact O-N 2.58Å; Y748-P1137 VanDerWaalsContact CA-CB 3.49Å; Y748-P1137 VanDerWaalsContact CB-CB 3.46Å; Y748-P1137 HydrophobicContact CD1-CB 3.69Å; Y748-P1137 HydrophobicContact CD2-CB 3.65Å; Y748-P1137 HydrophobicContact CD2-CG 4.47Å; Y748-P1137 HydrophobicContact CE1-CB 4.31Å; Y748-P1137 HydrophobicContact CE2-CB 4.27Å; Y748-P1137 HydrophobicContact CG-CB 3.32Å; Y748-T1138 CarbonylContact C-O 3.53Å; Y748-T1138 WeakPolarHBondContact CA-O 3.49Å; Y748-T1138 VanDerWaalsContact CB-N 3.33Å; Y748-T1138 WeakPolarHBondContact CB-O 3.29Å; Y748-P1139 WeakPolarHBondContact O-CA 3.11Å | ||
| 749 | K | 40 | Very low | 59.8 | Low | 34 Ų | 34 | 50 Ų | 50 | 15% | 0.148 | 28% | 0.282 | C | S | . | . | trans | -143.6 | -26.6 | -161.3 | -57.5 | -177.1 | -172 | -83.4 | 0 | 124.6 | P1137 T1138 P1139 Y1289 E1291 W1292 | K749-P1137 CarbonylContact C-O 3.57Å; K749-P1137 VanDerWaalsContact C-O 3.23Å; K749-P1137 VanDerWaalsContact CA-O 3.22Å; K749-P1137 WeakPolarHBondContact CA-O 3.37Å; K749-P1137 PolarHBondContact N-O 3.35Å; K749-T1138 PolarHBondContact N-O 2.8Å; K749-P1139 WeakPolarHBondContact O-CD 3.29Å; K749-P1139 WeakPolarHBondContact O-CG 3.48Å; K749-Y1289 PolarHBondContact O-OH 2.7Å; K749-E1291 WeakPolarHBondContact CD-O 3.21Å; K749-W1292 HydrophobicContact CD-CE3 4.01Å; K749-W1292 WeakPolarHBondContact CD-O 3Å; K749-W1292 WeakPolarHBondContact CE-O 3.49Å; K749-W1292 PolarHBondContact NZ-O 2.94Å | ||
| 750 | I | 41.2 | Very low | 57.1 | Low | 37 Ų | 37 | 54.6 Ų | 54.6 | 19% | 0.19 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -133.1 | 115.9 | 179.8 | -60.1 | -174.4 | 0 | 0 | 0 | 110.7 | P1136 P1137 T1138 L1238 Y1289 | I750-P1136 HydrophobicContact CB-CB 4.26Å; I750-P1136 HydrophobicContact CD1-CB 3.74Å; I750-P1136 HydrophobicContact CD1-CG 4.23Å; I750-P1136 HydrophobicContact CG1-CB 4.25Å; I750-P1137 PolarHBondContact N-O 3.36Å; I750-T1138 VanDerWaalsContact C-CA 3.48Å; I750-T1138 WeakPolarHBondContact O-CA 3.39Å; I750-T1138 WeakPolarHBondContact O-CB 3.31Å; I750-T1138 WeakPolarHBondContact O-CG2 3.44Å; I750-T1138 PolarHBondContact O-N 3.11Å; I750-L1238 HydrophobicContact CD1-CD1 4.49Å; I750-Y1289 HydrophobicContact CD1-CE1 3.84Å; I750-Y1289 HydrophobicContact CG1-CE1 4.05Å; I750-Y1289 WeakPolarHBondContact CG1-OH 3.12Å |
| 751 | P | 50.7 | Low | 54.5 | Low | 26 Ų | 26 | 61.9 Ų | 61.9 | 17% | 0.169 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 151.2 | -163.5 | 32 | -37 | 0 | 0 | 0 | 117.5 | I742 V743 | I742-P751 HydrophobicContact CG2-CB 3.46Å; I742-P751 VanDerWaalsContact CG2-CB 3.46Å; I742-P751 HydrophobicContact CG2-CG 3.74Å; V743-P751 WeakPolarHBondContact O-CA 3.11Å; V743-P751 WeakPolarHBondContact O-CB 3.44Å |
| 752 | S | 60.8 | Low | 51.8 | Low | 46 Ų | 46 | 68.4 Ų | 68.4 | 32% | 0.322 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 117.8 | 177 | -48.9 | 0 | 0 | 0 | 0 | 111 | V743 T1138 | V743-S752 PolarHBondContact N-O 2.89Å; V743-S752 PolarHBondContact O-N 2.88Å; V743-S752 VanDerWaalsContact O-N 3.07Å; S752-T1138 VanDerWaalsContact OG-CG2 3.22Å; S752-T1138 WeakPolarHBondContact OG-CG2 3.26Å |
| 753 | V | 66.6 | Low | 49.3 | Very low | 56 Ų | 56 | 75.7 Ų | 75.7 | 34% | 0.339 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 134.9 | -178.7 | -169.2 | 0 | 0 | 0 | 0 | 110.8 | W741 I742 T755 M822 | W741-V753 CarbonylContact O-C 3.52Å; W741-V753 VanDerWaalsContact O-CA 3.29Å; W741-V753 WeakPolarHBondContact O-CA 3.36Å; I742-V753 HydrophobicContact CG1-CG1 4.45Å; I742-V753 HydrophobicContact CG1-CG2 4.32Å; V753-T755 HydrophobicContact CG1-CG2 4.46Å; V753-M822 WeakPolarHBondContact O-CE 3.36Å |
| 754 | Y | 69.6 | Low | 46.7 | Very low | 45 Ų | 45 | 80.5 Ų | 80.5 | 18% | 0.176 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 119.1 | 173.4 | -63.3 | -98.5 | 0 | 0 | 0 | 109.3 | W741 V743 I829 L837 | W741-Y754 PolarHBondContact N-O 2.99Å; W741-Y754 PolarHBondContact O-N 2.03Å; V743-Y754 HydrophobicContact CB-CE2 4.34Å; V743-Y754 HydrophobicContact CG2-CD2 3.7Å; V743-Y754 HydrophobicContact CG2-CE2 3.5Å; V743-Y754 VanDerWaalsContact CG2-CE2 3.5Å; Y754-I829 HydrophobicContact CD1-CB 4.42Å; Y754-I829 HydrophobicContact CD1-CG2 3.76Å; Y754-I829 HydrophobicContact CE1-CB 3.71Å; Y754-I829 HydrophobicContact CE1-CG2 3.41Å; Y754-I829 VanDerWaalsContact CE1-CG2 3.41Å; Y754-I829 HydrophobicContact CE2-CG2 4.26Å; Y754-I829 HydrophobicContact CG-CG2 4.33Å; Y754-L837 HydrophobicContact CD1-CD1 4.47Å; Y754-L837 HydrophobicContact CG-CD1 4.08Å |
| 755 | T | 62.1 | Low | 44.6 | Very low | 74 Ų | 74 | 85.5 Ų | 85.5 | 45% | 0.454 | 48% | 0.479 | S | S | . | . | trans | -108.7 | 148.5 | 176.1 | 47.4 | 0 | 0 | 0 | 0 | 110.2 | V753 L757 | V753-T755 HydrophobicContact CG1-CG2 4.46Å; T755-L757 PolarHBondContact O-N 2.86Å | ||
| 756 | P | 57.8 | Low | 42.6 | Very low | 26 Ų | 26 | 92 Ų | 92 | 17% | 0.169 | 51% | 0.509 | C | S | . | . | trans | -54.9 | 136.6 | 167.9 | -25.5 | 35.6 | 0 | 0 | 0 | 111.5 | I739 V758 F832 | I739-P756 WeakPolarHBondContact O-CD 3.44Å; I739-P756 WeakPolarHBondContact O-CG 3.47Å; P756-V758 PolarHBondContact O-N 3.44Å; P756-F832 WeakPolarHBondContact CG-O 3.3Å | ||
| 757 | L | 46.9 | Very low | 41 | Very low | 153 Ų | 153 | 95.4 Ų | 95.4 | 80% | 0.801 | 54% | 0.535 | S | S | * | . | trans | -73.7 | 111.5 | 158.8 | -71.9 | 167.8 | 0 | 0 | 0 | 107 | T755 | T755-L757 PolarHBondContact O-N 2.86Š| ||
| 758 | V | 38.8 | Very low | 40 | Very low | 102 Ų | 102 | 97.6 Ų | 97.6 | 62% | 0.618 | 54% | 0.539 | S | S | * | . | trans | -93.9 | 105.5 | 170 | -179.7 | 0 | 0 | 0 | 0 | 106.9 | P756 S760 | P756-V758 PolarHBondContact O-N 3.44Å; V758-S760 PolarHBondContact O-N 2.84Å | ||
| 759 | D | 30.5 | Very low | 39.1 | Very low | 148 Ų | 148 | 99.6 Ų | 99.6 | 79% | 0.791 | 56% | 0.556 | S | S | * | * | trans | -65.3 | 116.5 | 170 | -70.7 | -49.2 | 0 | 0 | 0 | 109.4 | ||||
| 760 | S | 25.4 | Very low | 38.5 | Very low | 117 Ų | 117 | 106.7 Ų | 106.7 | 82% | 0.818 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 56.2 | 70.9 | 160.2 | -53.4 | 0 | 0 | 0 | 0 | 118.3 | V758 | V758-S760 PolarHBondContact O-N 2.84Š|
| 761 | E | 26.4 | Very low | 37.8 | Very low | 178 Ų | 178 | 109.4 Ų | 109.4 | 83% | 0.832 | 62% | 0.617 | S | S | * | * | -153.8 | 144.9 | 120.4 | -127.8 | 179.3 | -174.5 | 0 | 0 | 114.3 | |||||
| 762 | L | 25.7 | Very low | 36.7 | Very low | 139 Ų | 139 | 115.9 Ų | 115.9 | 73% | 0.728 | 65% | 0.65 | S | S | * | * | trans | -110.7 | 74.1 | -164.5 | -173.8 | 70.5 | 0 | 0 | 0 | 111 | I764 | L762-I764 HydrophobicContact CD1-CD1 3.97Å; L762-I764 HydrophobicContact CD1-CG1 4.12Å; L762-I764 HydrophobicContact CD2-CD1 3.74Å; L762-I764 HydrophobicContact CD2-CG1 4.5Å; L762-I764 HydrophobicContact CG-CD1 3.72Å; L762-I764 HydrophobicContact CG-CG1 3.95Å; L762-I764 PolarHBondContact O-N 3.17Å | ||
| 763 | L | 24 | Very low | 35.3 | Very low | 168 Ų | 168 | 119.7 Ų | 119.7 | 88% | 0.88 | 68% | 0.677 | S | S | * | * | trans | -76.5 | 66.4 | 174.8 | -84.2 | 170.3 | 0 | 0 | 0 | 112.4 | P765 | L763-P765 WeakPolarHBondContact O-CD 3.48Š| ||
| 764 | I | 24.3 | Very low | 33.3 | Very low | 102 Ų | 102 | 121.7 Ų | 121.7 | 52% | 0.523 | 69% | 0.693 | S | S | . | * | trans | -68.9 | 125 | 159.7 | -71 | 168 | 0 | 0 | 0 | 108.1 | L762 Q766 | L762-I764 HydrophobicContact CD1-CD1 3.97Å; L762-I764 HydrophobicContact CD1-CG1 4.12Å; L762-I764 HydrophobicContact CD2-CD1 3.74Å; L762-I764 HydrophobicContact CD2-CG1 4.5Å; L762-I764 HydrophobicContact CG-CD1 3.72Å; L762-I764 HydrophobicContact CG-CG1 3.95Å; L762-I764 PolarHBondContact O-N 3.17Å; I764-Q766 PolarHBondContact O-N 2.67Å; I764-Q766 VanDerWaalsContact O-N 3.08Å | ||
| 765 | P | 25.2 | Very low | 31.3 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | trans | -64.3 | 106.9 | 158.4 | -13.7 | 29.4 | 0 | 0 | 0 | 107.6 | L763 | L763-P765 WeakPolarHBondContact O-CD 3.48Š| ||
| 766 | Q | 26.6 | Very low | 29.7 | Very low | 168 Ų | 168 | 132.6 Ų | 132.6 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | -63.1 | 152.3 | -176.4 | -72.1 | -179 | -27.5 | 0 | 0 | 111.8 | I764 T768 | I764-Q766 PolarHBondContact O-N 2.67Å; I764-Q766 VanDerWaalsContact O-N 3.08Å; Q766-T768 PolarHBondContact O-N 2.72Å | ||
| 767 | S | 24 | Very low | 28.4 | Very low | 121 Ų | 121 | 135 Ų | 135 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -72.6 | 105.7 | 179 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 768 | T | 26.6 | Very low | 27.6 | Very low | 91 Ų | 91 | 134 Ų | 134 | 56% | 0.558 | 76% | 0.761 | S | S | * | * | trans | -137.8 | 126.2 | 167.2 | 54.2 | 0 | 0 | 0 | 0 | 109.5 | Q766 | Q766-T768 PolarHBondContact O-N 2.72Š| ||
| 769 | D | 28.3 | Very low | 27.3 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | cis | -131.6 | 158.5 | -2.3 | -72.2 | -53 | 0 | 0 | 0 | 110.6 | ||||
| 770 | L | 26.9 | Very low | 27.3 | Very low | 182 Ų | 182 | 135.2 Ų | 135.2 | 95% | 0.953 | 76% | 0.758 | S | S | * | * | trans | -112.8 | 98.4 | 172.8 | -84.3 | 169.7 | 0 | 0 | 0 | 110.3 | ||||
| 771 | S | 26.4 | Very low | 27.4 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | trans | -157.7 | 137 | 166.3 | 57.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 772 | D | 27.8 | Very low | 27.4 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 59.8 | 119.7 | 177.3 | -55.6 | -29.2 | 0 | 0 | 0 | 115.9 | ||
| 773 | S | 31.3 | Very low | 27.5 | Very low | 126 Ų | 126 | 137 Ų | 137 | 88% | 0.881 | 75% | 0.753 | S | S | * | * | cis | -148.5 | 166.7 | 14.6 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 774 | S | 25.5 | Very low | 27.6 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | trans | -123.8 | 168.5 | -162.7 | 60.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 775 | R | 27.9 | Very low | 27.7 | Very low | 238 Ų | 238 | 139.4 Ų | 139.4 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | trans | 87.7 | 140.7 | 176.5 | -50.5 | 158.7 | -173.2 | -164.6 | -1.3 | 113.1 | ||||
| 776 | S | 28.5 | Very low | 27.8 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | cis | -154.6 | 142.3 | 13.3 | -161 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 777 | A | 29.9 | Very low | 27.9 | Very low | 76 Ų | 76 | 140.6 Ų | 140.6 | 63% | 0.628 | 75% | 0.754 | S | S | * | * | trans | 43.8 | 149.9 | 140.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 778 | D | 30.6 | Very low | 28 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | cis | -165.6 | 130.7 | -15.8 | -101.2 | -40.3 | 0 | 0 | 0 | 107.8 | ||||
| 779 | N | 30.6 | Very low | 28.4 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 65% | 0.647 | 76% | 0.761 | S | S | * | * | 63.8 | 103 | 90.9 | -77.9 | -50.8 | 0 | 0 | 0 | 118.3 | |||||
| 780 | H | 31.3 | Very low | 28.5 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | 172.8 | 122.7 | 117.8 | -98.2 | -80.9 | 0 | 0 | 0 | 108.5 | |||||
| 781 | L | 28.2 | Very low | 28.8 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 64% | 0.644 | 76% | 0.755 | S | S | * | * | 56.4 | 149.4 | 72.1 | -82.8 | 85.7 | 0 | 0 | 0 | 114.6 | |||||
| 782 | Q | 26.2 | Very low | 29.1 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | cis | 165.7 | 134 | -18.5 | 168.2 | -179 | 68.3 | 0 | 0 | 105 | ||||
| 783 | E | 27.4 | Very low | 29.3 | Very low | 197 Ų | 197 | 138.7 Ų | 138.7 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | trans | -154.6 | 144.1 | 152.4 | -128.8 | 163.5 | -158.7 | 0 | 0 | 111.9 | ||||
| 784 | Q | 25.8 | Very low | 29.3 | Very low | 158 Ų | 158 | 138 Ų | 138 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | -131.2 | 176.5 | -179 | -80.5 | -170.1 | -28.8 | 0 | 0 | 109 | ||||
| 785 | Q | 26.6 | Very low | 29.6 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | trans | 81.7 | 128.7 | 161.9 | -46.8 | -177.8 | 7.2 | 0 | 0 | 116.5 | ||||
| 786 | F | 27.5 | Very low | 29.8 | Very low | 184 Ų | 184 | 132.2 Ų | 132.2 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | -157.3 | 132.3 | 105.3 | -88.3 | -50 | 0 | 0 | 0 | 111.2 | |||||
| 787 | L | 28 | Very low | 29.9 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | trans | 55.2 | 156.7 | 133.1 | -55.9 | 170.4 | 0 | 0 | 0 | 121.4 | ||||
| 788 | Q | 26.5 | Very low | 29.8 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | cis | -176.9 | 154.4 | -41.1 | -116.2 | -177.7 | -0.1 | 0 | 0 | 107.1 | ||||
| 789 | P | 34.7 | Very low | 29.7 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -105.6 | 160.4 | -172 | 38.9 | -34.5 | 0 | 0 | 0 | 115.8 | ||||
| 790 | P | 31.1 | Very low | 29.4 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | trans | -101.3 | 170.7 | 164.6 | 36.5 | -28.8 | 0 | 0 | 0 | 113.9 | ||||
| 791 | P | 33.6 | Very low | 29.3 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -130.6 | -164.4 | -150 | 45.2 | -31.3 | 0 | 0 | 0 | 117.2 | ||||
| 792 | S | 31.9 | Very low | 29.1 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | trans | 92.8 | 143.1 | 162 | 81 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 793 | S | 33.2 | Very low | 29.2 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | cis | -156.9 | 154.6 | -1.9 | 47.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 794 | S | 31.4 | Very low | 29.2 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 59.1 | 139.4 | 162 | 52.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 795 | S | 31.2 | Very low | 29.3 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | cis | -173.4 | 171.4 | -3.8 | 48 | 0 | 0 | 0 | 0 | 107 | ||||
| 796 | S | 31.1 | Very low | 29.3 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | cis | -171.1 | 157 | 2.8 | 22.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 797 | S | 30.8 | Very low | 29.3 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | cis | -168.1 | 128.7 | -9.9 | 47.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 798 | S | 27.4 | Very low | 29.3 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 56.9 | 118.6 | 137.5 | 66.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 799 | V | 28.6 | Very low | 29.6 | Very low | 150 Ų | 150 | 122.7 Ų | 122.7 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | -141.2 | 151.5 | 107.6 | 175.2 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 800 | S | 24.8 | Very low | 29.4 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | -125.6 | 165.7 | -176.9 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 801 | I | 29 | Very low | 29.3 | Very low | 167 Ų | 167 | 118.6 Ų | 118.6 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | trans | 179.5 | 155.8 | 136.1 | -93.8 | 156.3 | 0 | 0 | 0 | 110.5 | ||||
| 802 | D | 24.3 | Very low | 29.2 | Very low | 129 Ų | 129 | 117 Ų | 117 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | trans | -91.6 | 172.2 | -160.5 | -63.3 | -90.9 | 0 | 0 | 0 | 117.7 | ||||
| 803 | H | 28.6 | Very low | 29.1 | Very low | 161 Ų | 161 | 114.6 Ų | 114.6 | 75% | 0.745 | 72% | 0.721 | S | S | * | * | trans | 117.4 | 123.1 | 137.3 | -72.8 | -55.6 | 0 | 0 | 0 | 119.9 | ||||
| 804 | N | 26.2 | Very low | 28.9 | Very low | 136 Ų | 136 | 113.9 Ų | 113.9 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | 43.2 | 118.8 | 139.3 | -61.4 | -18 | 0 | 0 | 0 | 119.7 | ||||
| 805 | L | 27.9 | Very low | 28.9 | Very low | 173 Ų | 173 | 112.9 Ų | 112.9 | 91% | 0.906 | 70% | 0.701 | S | S | * | * | -162.4 | 143.5 | 107.7 | -105.2 | 158.7 | 0 | 0 | 0 | 112.2 | |||||
| 806 | N | 27.1 | Very low | 28.8 | Very low | 148 Ų | 148 | 109.4 Ų | 109.4 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | trans | -89.8 | 173.5 | 169.9 | -75.4 | -37.3 | 0 | 0 | 0 | 110.5 | ||||
| 807 | S | 27.7 | Very low | 28.7 | Very low | 124 Ų | 124 | 106.4 Ų | 106.4 | 87% | 0.867 | 66% | 0.661 | S | S | * | * | trans | 68.2 | 105.4 | 170.5 | 64.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 808 | A | 29.1 | Very low | 28.7 | Very low | 95 Ų | 95 | 105.7 Ų | 105.7 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | trans | -159.1 | 161.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 809 | S | 31.8 | Very low | 28.9 | Very low | 78 Ų | 78 | 103.3 Ų | 103.3 | 55% | 0.545 | 63% | 0.632 | S | S | . | * | trans | -69.9 | 156.7 | -170.1 | 19.7 | 0 | 0 | 0 | 0 | 116 | A811 D812 | S809-A811 PolarHBondContact O-N 2.88Å; S809-D812 WeakPolarHBondContact CB-OD2 3.19Å; S809-D812 PolarHBondContact O-N 2.64Å; S809-D812 PolarHBondContact OG-OD2 3Å | ||
| 810 | S | 31.5 | Very low | 29.1 | Very low | 99 Ų | 99 | 103.7 Ų | 103.7 | 69% | 0.692 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 27.2 | -178.8 | 49.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 811 | A | 28.1 | Very low | 29.4 | Very low | 57 Ų | 57 | 104.4 Ų | 104.4 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -120 | -43.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S809 A813 V814 V815 | S809-A811 PolarHBondContact O-N 2.88Å; A811-A813 VanDerWaalsContact C-N 3.34Å; A811-A813 PolarHBondContact O-N 2.93Å; A811-V814 WeakPolarHBondContact O-CB 3.46Å; A811-V814 PolarHBondContact O-N 2.9Å; A811-V815 PolarHBondContact O-N 2.82Å; A811-V815 VanDerWaalsContact O-N 3.1Å |
| 812 | D | 30.9 | Very low | 29.4 | Very low | 85 Ų | 85 | 100 Ų | 100 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.7 | -35.3 | -172.8 | -48 | -75.4 | 0 | 0 | 0 | 112.1 | S809 V814 V815 A816 | S809-D812 WeakPolarHBondContact CB-OD2 3.19Å; S809-D812 PolarHBondContact O-N 2.64Å; S809-D812 PolarHBondContact OG-OD2 3Å; D812-V814 VanDerWaalsContact C-N 3.29Å; D812-V814 PolarHBondContact O-N 2.81Å; D812-V815 PolarHBondContact O-N 2.89Å; D812-A816 VanDerWaalsContact O-CB 3.25Å; D812-A816 WeakPolarHBondContact O-CB 3.32Å; D812-A816 PolarHBondContact O-N 2.89Å |
| 813 | A | 30.6 | Very low | 29.8 | Very low | 66 Ų | 66 | 101.3 Ų | 101.3 | 55% | 0.545 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.9 | -34.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A811 A817 | A811-A813 VanDerWaalsContact C-N 3.34Å; A811-A813 PolarHBondContact O-N 2.93Å; A813-A817 VanDerWaalsContact O-CB 3.29Å; A813-A817 WeakPolarHBondContact O-CB 2.99Å; A813-A817 PolarHBondContact O-N 2.78Å |
| 814 | V | 29.5 | Very low | 30.1 | Very low | 85 Ų | 85 | 98.7 Ų | 98.7 | 52% | 0.515 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.3 | -44.1 | 177.9 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | A811 D812 A816 A817 I818 | A811-V814 WeakPolarHBondContact O-CB 3.46Å; A811-V814 PolarHBondContact O-N 2.9Å; D812-V814 VanDerWaalsContact C-N 3.29Å; D812-V814 PolarHBondContact O-N 2.81Å; V814-A816 PolarHBondContact O-N 2.76Å; V814-A817 PolarHBondContact O-N 2.92Å; V814-I818 HydrophobicContact CG1-CD1 4.01Å; V814-I818 VanDerWaalsContact O-CG1 3.31Å; V814-I818 WeakPolarHBondContact O-CG1 3.45Å; V814-I818 PolarHBondContact O-N 3.38Å |
| 815 | V | 29.7 | Very low | 30.6 | Very low | 91 Ų | 91 | 97.3 Ų | 97.3 | 55% | 0.552 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.6 | -46.2 | 173.3 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | A811 D812 A817 I818 S819 | A811-V815 PolarHBondContact O-N 2.82Å; A811-V815 VanDerWaalsContact O-N 3.1Å; D812-V815 PolarHBondContact O-N 2.89Å; V815-A817 VanDerWaalsContact C-N 3.3Å; V815-A817 PolarHBondContact O-N 2.95Å; V815-I818 PolarHBondContact O-N 3.09Å; V815-S819 PolarHBondContact O-N 2.58Å; V815-S819 PolarHBondContact O-OG 3.28Å |
| 816 | A | 29.8 | Very low | 31.3 | Very low | 37 Ų | 37 | 92.1 Ų | 92.1 | 31% | 0.306 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.8 | -22.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | D812 V814 R820 | D812-A816 VanDerWaalsContact O-CB 3.25Å; D812-A816 WeakPolarHBondContact O-CB 3.32Å; D812-A816 PolarHBondContact O-N 2.89Å; V814-A816 PolarHBondContact O-N 2.76Å; A816-R820 WeakPolarHBondContact O-CB 3.48Å; A816-R820 WeakPolarHBondContact O-CG 3.37Å; A816-R820 PolarHBondContact O-N 3.49Å; A816-R820 PolarHBondContact O-NE 3.34Å |
| 817 | A | 29.1 | Very low | 32.7 | Very low | 42 Ų | 42 | 87.2 Ų | 87.2 | 35% | 0.347 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -77.7 | -38.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A813 V814 V815 R820 N821 | A813-A817 VanDerWaalsContact O-CB 3.29Å; A813-A817 WeakPolarHBondContact O-CB 2.99Å; A813-A817 PolarHBondContact O-N 2.78Å; V814-A817 PolarHBondContact O-N 2.92Å; V815-A817 VanDerWaalsContact C-N 3.3Å; V815-A817 PolarHBondContact O-N 2.95Å; A817-R820 PolarHBondContact O-N 3.25Å; A817-N821 WeakPolarHBondContact O-CB 3.43Å; A817-N821 PolarHBondContact O-N 3.45Å |
| 818 | I | 31.9 | Very low | 35 | Very low | 88 Ų | 88 | 83.4 Ų | 83.4 | 45% | 0.451 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -48.5 | 172.6 | -69.3 | 165.4 | 0 | 0 | 0 | 110.1 | V814 V815 R820 N821 M822 | V814-I818 HydrophobicContact CG1-CD1 4.01Å; V814-I818 VanDerWaalsContact O-CG1 3.31Å; V814-I818 WeakPolarHBondContact O-CG1 3.45Å; V814-I818 PolarHBondContact O-N 3.38Å; V815-I818 PolarHBondContact O-N 3.09Å; I818-R820 PolarHBondContact O-N 2.79Å; I818-N821 CarbonylContact O-C 3.48Å; I818-N821 PolarHBondContact O-N 3.45Å; I818-M822 HydrophobicContact CG2-CE 3.88Å; I818-M822 WeakPolarHBondContact O-CG 3.22Å; I818-M822 PolarHBondContact O-N 2.99Å |
| 819 | S | 30.7 | Very low | 37.3 | Very low | 59 Ų | 59 | 80 Ų | 80 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | V815 M822 Q823 | V815-S819 PolarHBondContact O-N 2.58Å; V815-S819 PolarHBondContact O-OG 3.28Å; S819-M822 WeakPolarHBondContact O-CB 3.48Å; S819-M822 PolarHBondContact O-N 2.95Å; S819-Q823 PolarHBondContact O-N 2.79Å |
| 820 | R | 32.1 | Very low | 39.5 | Very low | 159 Ų | 159 | 78.1 Ų | 78.1 | 60% | 0.6 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.9 | -35.6 | 175.9 | -80.5 | 178.4 | -77.5 | -174.9 | -3.6 | 112.6 | A816 A817 I818 M822 Q823 T824 | A816-R820 WeakPolarHBondContact O-CB 3.48Å; A816-R820 WeakPolarHBondContact O-CG 3.37Å; A816-R820 PolarHBondContact O-N 3.49Å; A816-R820 PolarHBondContact O-NE 3.34Å; A817-R820 PolarHBondContact O-N 3.25Å; I818-R820 PolarHBondContact O-N 2.79Å; R820-M822 VanDerWaalsContact C-N 3.31Å; R820-M822 PolarHBondContact O-N 2.82Å; R820-Q823 PolarHBondContact O-N 3.14Å; R820-T824 PolarHBondContact O-N 3.14Å |
| 821 | N | 31.5 | Very low | 41.6 | Very low | 114 Ų | 114 | 74.1 Ų | 74.1 | 61% | 0.61 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -74.5 | -16.2 | 172 | -78.6 | -29.2 | 0 | 0 | 0 | 114.2 | A817 I818 T824 | A817-N821 WeakPolarHBondContact O-CB 3.43Å; A817-N821 PolarHBondContact O-N 3.45Å; I818-N821 CarbonylContact O-C 3.48Å; I818-N821 PolarHBondContact O-N 3.45Å; N821-T824 PolarHBondContact O-OG1 2.75Å |
| 822 | M | 29.7 | Very low | 43.8 | Very low | 74 Ų | 74 | 75.4 Ų | 75.4 | 37% | 0.365 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -77.1 | -31.6 | 168.2 | -72.9 | -179 | 176.3 | 0 | 0 | 112.4 | V753 I818 S819 R820 | V753-M822 WeakPolarHBondContact O-CE 3.36Å; I818-M822 HydrophobicContact CG2-CE 3.88Å; I818-M822 WeakPolarHBondContact O-CG 3.22Å; I818-M822 PolarHBondContact O-N 2.99Å; S819-M822 WeakPolarHBondContact O-CB 3.48Å; S819-M822 PolarHBondContact O-N 2.95Å; R820-M822 VanDerWaalsContact C-N 3.31Å; R820-M822 PolarHBondContact O-N 2.82Å |
| 823 | Q | 31.5 | Very low | 45.7 | Very low | 157 Ų | 157 | 76 Ų | 76 | 73% | 0.734 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -78.1 | -21.7 | 179.1 | -72.8 | -176.9 | -27.4 | 0 | 0 | 113.9 | S819 R820 | S819-Q823 PolarHBondContact O-N 2.79Å; R820-Q823 PolarHBondContact O-N 3.14Å |
| 824 | T | 36.4 | Very low | 48.1 | Very low | 106 Ų | 106 | 77 Ų | 77 | 65% | 0.65 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -79.2 | -15.9 | -180 | 49.6 | 0 | 0 | 0 | 0 | 114.6 | R820 N821 G826 | R820-T824 PolarHBondContact O-N 3.14Å; N821-T824 PolarHBondContact O-OG1 2.75Å; T824-G826 VanDerWaalsContact C-N 3.31Å; T824-G826 PolarHBondContact O-N 3.12Å |
| 825 | N | 35.4 | Very low | 50.5 | Low | 106 Ų | 106 | 73 Ų | 73 | 57% | 0.567 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -92.1 | 59.8 | 168.8 | -96.9 | -56.3 | 0 | 0 | 0 | 111.1 | G827 R828 | N825-G827 PolarHBondContact O-N 2.99Å; N825-R828 PolarHBondContact O-N 3.36Å |
| 826 | G | 42.2 | Very low | 53.1 | Low | 64 Ų | 64 | 69.1 Ų | 69.1 | 66% | 0.66 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.8 | 100.8 | -163.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | T824 R828 | T824-G826 VanDerWaalsContact C-N 3.31Å; T824-G826 PolarHBondContact O-N 3.12Å; G826-R828 PolarHBondContact O-N 3.26Å |
| 827 | G | 57 | Low | 55.9 | Low | 46 Ų | 46 | 67.3 Ų | 67.3 | 47% | 0.474 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 11.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | N825 T830 K840 | N825-G827 PolarHBondContact O-N 2.99Å; G827-T830 PolarHBondContact O-OG1 3.26Å; G827-K840 WeakPolarHBondContact O-CD 3.23Å; G827-K840 PolarHBondContact O-NZ 3.48Å |
| 828 | R | 75.8 | Confident | 58.6 | Low | 44 Ų | 44 | 66.9 Ų | 66.9 | 17% | 0.166 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -46.1 | -169.6 | -162.6 | -178.5 | 74.3 | 80.6 | -3.1 | 113 | N825 G826 I839 K840 Q841 D846 | N825-R828 PolarHBondContact O-N 3.36Å; G826-R828 PolarHBondContact O-N 3.26Å; R828-I839 CarbonylContact O-C 3.47Å; R828-I839 WeakPolarHBondContact O-CA 3.38Å; R828-K840 HydrophobicContact CG-CB 4.43Å; R828-K840 WeakPolarHBondContact CG-O 3.31Å; R828-K840 PolarHBondContact NH1-O 3.32Å; R828-K840 PolarHBondContact O-N 2.91Å; R828-Q841 PolarHBondContact NH1-O 3.27Å; R828-D846 IonicContact CZ-OD1 3.12Å; R828-D846 IonicContact CZ-OD2 2.68Å; R828-D846 VanDerWaalsContact CZ-OD2 3.26Å; R828-D846 IonicContact NH1-OD1 2.69Å; R828-D846 IonicContact NH1-OD2 3.96Å; R828-D846 PolarHBondContact NH1-OD2 2.92Å; R828-D846 VanDerWaalsContact NH2-CG 3.3Å; R828-D846 IonicContact NH2-OD1 2.75Å; R828-D846 PolarHBondContact NH2-OD1 3.39Å; R828-D846 IonicContact NH2-OD2 3.7Å; R828-D846 PolarHBondContact NH2-OD2 3.05Å |
| 829 | I | 78.2 | Confident | 61.3 | Low | 24 Ų | 24 | 62.7 Ų | 62.7 | 12% | 0.123 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.8 | 171 | -56.7 | -176 | 0 | 0 | 0 | 107.8 | Y754 L837 I838 I839 | Y754-I829 HydrophobicContact CD1-CB 4.42Å; Y754-I829 HydrophobicContact CD1-CG2 3.76Å; Y754-I829 HydrophobicContact CE1-CB 3.71Å; Y754-I829 HydrophobicContact CE1-CG2 3.41Å; Y754-I829 VanDerWaalsContact CE1-CG2 3.41Å; Y754-I829 HydrophobicContact CE2-CG2 4.26Å; Y754-I829 HydrophobicContact CG-CG2 4.33Å; I829-L837 HydrophobicContact CG2-CD1 3.89Å; I829-L837 HydrophobicContact CG2-CD2 4.42Å; I829-L837 HydrophobicContact CG2-CG 4.21Å; I829-I838 CarbonylContact C-O 3.23Å; I829-I838 VanDerWaalsContact CA-O 3.32Å; I829-I838 WeakPolarHBondContact CA-O 3.5Å; I829-I839 HydrophobicContact CD1-CG1 4.39Å; I829-I839 HydrophobicContact CD1-CG2 4.36Å; I829-I839 HydrophobicContact CG1-CB 4.4Å; I829-I839 HydrophobicContact CG1-CG1 4.13Å; I829-I839 HydrophobicContact CG1-CG2 4.02Å; I829-I839 HydrophobicContact CG2-CG1 4.26Å |
| 830 | T | 77.2 | Confident | 63.7 | Low | 38 Ų | 38 | 64.3 Ų | 64.3 | 23% | 0.233 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 126 | -171.7 | -44.1 | 0 | 0 | 0 | 0 | 110.6 | G827 F832 L837 I838 | G827-T830 PolarHBondContact O-OG1 3.26Å; T830-F832 HydrophobicContact CG2-CD2 4.34Å; T830-F832 HydrophobicContact CG2-CE1 4.4Å; T830-F832 HydrophobicContact CG2-CE2 3.68Å; T830-F832 HydrophobicContact CG2-CZ 3.72Å; T830-L837 CarbonylContact O-C 3.5Å; T830-L837 WeakPolarHBondContact O-CA 3.36Å; T830-I838 PolarHBondContact N-O 3.33Å; T830-I838 PolarHBondContact O-N 3.46Å |
| 831 | A | 75.7 | Confident | 66.1 | Low | 14 Ų | 14 | 63.1 Ų | 63.1 | 12% | 0.116 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 140.1 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | S836 L837 | A831-S836 CarbonylContact C-O 3.54Å; A831-S836 WeakPolarHBondContact CA-O 3.29Å; A831-L837 HydrophobicContact CB-CD1 3.83Å |
| 832 | F | 75.4 | Confident | 68.6 | Low | 85 Ų | 85 | 57.7 Ų | 57.7 | 37% | 0.373 | 33% | 0.328 | S | S | . | . | trans | -119.5 | 150.6 | -174.2 | -67.4 | -95.1 | 0 | 0 | 0 | 111.2 | P756 T830 N834 G835 S836 I838 | P756-F832 WeakPolarHBondContact CG-O 3.3Å; T830-F832 HydrophobicContact CG2-CD2 4.34Å; T830-F832 HydrophobicContact CG2-CE1 4.4Å; T830-F832 HydrophobicContact CG2-CE2 3.68Å; T830-F832 HydrophobicContact CG2-CZ 3.72Å; F832-N834 WeakPolarHBondContact CB-OD1 3.39Å; F832-N834 PolarHBondContact O-N 2.69Å; F832-G835 WeakPolarHBondContact O-CA 3.42Å; F832-G835 PolarHBondContact O-N 2.88Å; F832-S836 PolarHBondContact N-O 2.79Å; F832-I838 HydrophobicContact CD2-CD1 4.29Å; F832-I838 HydrophobicContact CD2-CG1 4.21Å; F832-I838 HydrophobicContact CE2-CB 4.07Å; F832-I838 HydrophobicContact CE2-CD1 3.59Å; F832-I838 HydrophobicContact CE2-CG1 3.7Å; F832-I838 HydrophobicContact CZ-CD1 4.06Å | ||
| 833 | S | 71.3 | Confident | 71.1 | Confident | 96 Ų | 96 | 58.5 Ų | 58.5 | 67% | 0.671 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.7 | -175.4 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | G835 | S833-G835 PolarHBondContact O-N 2.82Š|
| 834 | N | 79 | Confident | 73.4 | Confident | 87 Ų | 87 | 55.4 Ų | 55.4 | 47% | 0.465 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -2.3 | 170.8 | 71.4 | -13.5 | 0 | 0 | 0 | 114.2 | H730 F832 S836 | H730-N834 PolarHBondContact ND1-O 3.47Å; F832-N834 WeakPolarHBondContact CB-OD1 3.39Å; F832-N834 PolarHBondContact O-N 2.69Å; N834-S836 PolarHBondContact ND2-OG 3.31Å; N834-S836 WeakPolarHBondContact OD1-CB 3.38Å; N834-S836 PolarHBondContact OD1-N 2.85Å; N834-S836 PolarHBondContact OD1-OG 2.65Å |
| 835 | G | 81.3 | Confident | 75.3 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 92.3 | 2.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | C729 W741 F832 S833 | C729-G835 PolarHBondContact N-O 3.38Å; C729-G835 WeakPolarHBondContact O-CA 3.03Å; W741-G835 WeakPolarHBondContact CZ2-O 3.43Å; W741-G835 PolarHBondContact NE1-O 2.92Å; F832-G835 WeakPolarHBondContact O-CA 3.42Å; F832-G835 PolarHBondContact O-N 2.88Å; S833-G835 PolarHBondContact O-N 2.82Å |
| 836 | S | 84.3 | Confident | 77.7 | Confident | 10 Ų | 10 | 48.6 Ų | 48.6 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | trans | -77 | 146.4 | 176.3 | -61.6 | 0 | 0 | 0 | 0 | 113.2 | L727 N728 A831 F832 N834 | L727-S836 CarbonylContact O-C 3.51Å; L727-S836 WeakPolarHBondContact O-CA 3.3Å; N728-S836 WeakPolarHBondContact OD1-CB 3.38Å; N728-S836 PolarHBondContact OD1-OG 2.8Å; A831-S836 CarbonylContact C-O 3.54Å; A831-S836 WeakPolarHBondContact CA-O 3.29Å; F832-S836 PolarHBondContact N-O 2.79Å; N834-S836 PolarHBondContact ND2-OG 3.31Å; N834-S836 WeakPolarHBondContact OD1-CB 3.38Å; N834-S836 PolarHBondContact OD1-N 2.85Å; N834-S836 PolarHBondContact OD1-OG 2.65Å | ||
| 837 | L | 87.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 120.7 | 166.6 | -172.1 | 78.3 | 0 | 0 | 0 | 109 | L727 W741 Y754 I829 T830 A831 Y850 | L727-L837 HydrophobicContact CB-CB 4.41Å; L727-L837 HydrophobicContact CD1-CD2 4.44Å; L727-L837 PolarHBondContact N-O 3.09Å; L727-L837 PolarHBondContact O-N 3.07Å; W741-L837 HydrophobicContact CB-CD1 4.3Å; W741-L837 HydrophobicContact CB-CD2 4.12Å; W741-L837 HydrophobicContact CD2-CB 4.01Å; W741-L837 HydrophobicContact CD2-CD2 4.25Å; W741-L837 HydrophobicContact CG-CB 3.98Å; W741-L837 HydrophobicContact CG-CD1 4.31Å; W741-L837 HydrophobicContact CG-CD2 4.1Å; W741-L837 HydrophobicContact CG-CG 4.37Å; W741-L837 HydrophobicContact CZ2-CB 4.44Å; Y754-L837 HydrophobicContact CD1-CD1 4.47Å; Y754-L837 HydrophobicContact CG-CD1 4.08Å; I829-L837 HydrophobicContact CG2-CD1 3.89Å; I829-L837 HydrophobicContact CG2-CD2 4.42Å; I829-L837 HydrophobicContact CG2-CG 4.21Å; T830-L837 CarbonylContact O-C 3.5Å; T830-L837 WeakPolarHBondContact O-CA 3.36Å; A831-L837 HydrophobicContact CB-CD1 3.83Å; L837-Y850 HydrophobicContact CD2-CD1 3.52Å; L837-Y850 HydrophobicContact CD2-CE1 4.01Å |
| 838 | I | 86.6 | Confident | 81.1 | Confident | 33 Ų | 33 | 46.2 Ų | 46.2 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.1 | 179.5 | -57.1 | -175.5 | 0 | 0 | 0 | 109.5 | Q724 I726 I829 T830 F832 K840 | Q724-I838 HydrophobicContact CG-CG2 3.9Å; I726-I838 HydrophobicContact CG1-CG1 4.23Å; I726-I838 HydrophobicContact CG1-CG2 4.36Å; I726-I838 HydrophobicContact CG2-CG1 4.27Å; I829-I838 CarbonylContact C-O 3.23Å; I829-I838 VanDerWaalsContact CA-O 3.32Å; I829-I838 WeakPolarHBondContact CA-O 3.5Å; T830-I838 PolarHBondContact N-O 3.33Å; T830-I838 PolarHBondContact O-N 3.46Å; F832-I838 HydrophobicContact CD2-CD1 4.29Å; F832-I838 HydrophobicContact CD2-CG1 4.21Å; F832-I838 HydrophobicContact CE2-CB 4.07Å; F832-I838 HydrophobicContact CE2-CD1 3.59Å; F832-I838 HydrophobicContact CE2-CG1 3.7Å; F832-I838 HydrophobicContact CZ-CD1 4.06Å; I838-K840 HydrophobicContact CG2-CG 4.29Å |
| 839 | I | 88.1 | Confident | 81.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 100.1 | 173.5 | -52.4 | 169 | 0 | 0 | 0 | 107.5 | Q724 V725 R828 I829 V842 Y850 | Q724-I839 CarbonylContact C-O 3.44Å; Q724-I839 VanDerWaalsContact CA-O 3.3Å; Q724-I839 WeakPolarHBondContact CA-O 3.33Å; Q724-I839 WeakPolarHBondContact CG-O 3.4Å; V725-I839 HydrophobicContact CB-CB 4.2Å; V725-I839 HydrophobicContact CB-CD1 4.36Å; V725-I839 HydrophobicContact CG1-CD1 3.99Å; V725-I839 HydrophobicContact CG1-CG1 4.47Å; V725-I839 PolarHBondContact N-O 2.73Å; V725-I839 PolarHBondContact O-N 2.69Å; R828-I839 CarbonylContact O-C 3.47Å; R828-I839 WeakPolarHBondContact O-CA 3.38Å; I829-I839 HydrophobicContact CD1-CG1 4.39Å; I829-I839 HydrophobicContact CD1-CG2 4.36Å; I829-I839 HydrophobicContact CG1-CB 4.4Å; I829-I839 HydrophobicContact CG1-CG1 4.13Å; I829-I839 HydrophobicContact CG1-CG2 4.02Å; I829-I839 HydrophobicContact CG2-CG1 4.26Å; I839-V842 HydrophobicContact CB-CG2 4.17Å; I839-V842 HydrophobicContact CG2-CG2 3.66Å; I839-Y850 HydrophobicContact CD1-CD1 4.42Å; I839-Y850 HydrophobicContact CD1-CE1 3.55Å; I839-Y850 HydrophobicContact CD1-CE2 4.26Å; I839-Y850 VanDerWaalsContact CD1-CZ 3.48Å; I839-Y850 WeakPolarHBondContact CD1-OH 3.27Å |
| 840 | K | 81.4 | Confident | 82 | Confident | 93 Ų | 93 | 43.3 Ų | 43.3 | 40% | 0.404 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -73.4 | 147.3 | 169.7 | -57.2 | 175.6 | -168.8 | 150 | 0 | 108.9 | G827 R828 I838 | G827-K840 WeakPolarHBondContact O-CD 3.23Å; G827-K840 PolarHBondContact O-NZ 3.48Å; R828-K840 HydrophobicContact CG-CB 4.43Å; R828-K840 WeakPolarHBondContact CG-O 3.31Å; R828-K840 PolarHBondContact NH1-O 3.32Å; R828-K840 PolarHBondContact O-N 2.91Å; I838-K840 HydrophobicContact CG2-CG 4.29Å |
| 841 | Q | 82.1 | Confident | 82.2 | Confident | 133 Ų | 133 | 42.8 Ų | 42.8 | 62% | 0.621 | 23% | 0.226 | S | C | * | . | S | Bend | trans | 44.6 | 72.4 | 175.5 | -67.2 | 178.7 | -23.1 | 0 | 0 | 112.6 | N723 R828 H843 | N723-Q841 PolarHBondContact O-N 3.36Å; R828-Q841 PolarHBondContact NH1-O 3.27Å; Q841-H843 PolarHBondContact O-CD2 2.82Å; Q841-H843 PolarHBondContact O-N 2.98Å |
| 842 | V | 84.4 | Confident | 82.7 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | trans | -65.5 | 127 | -178.2 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | I719 V721 G722 N723 V725 I839 D846 V870 | I719-V842 HydrophobicContact CG2-CB 4.39Å; I719-V842 HydrophobicContact CG2-CG1 3.77Å; I719-V842 HydrophobicContact CG2-CG2 4.48Å; V721-V842 WeakPolarHBondContact CA-O 3.44Å; G722-V842 PolarHBondContact N-O 3.43Å; N723-V842 WeakPolarHBondContact O-CB 3.33Å; N723-V842 VanDerWaalsContact O-CG2 3.29Å; N723-V842 WeakPolarHBondContact O-CG2 3.35Å; N723-V842 PolarHBondContact O-N 2.79Å; V725-V842 HydrophobicContact CB-CG2 3.96Å; V725-V842 HydrophobicContact CG2-CG2 3.82Å; I839-V842 HydrophobicContact CB-CG2 4.17Å; I839-V842 HydrophobicContact CG2-CG2 3.66Å; V842-D846 HydrophobicContact CG1-CB 4.16Å; V842-V870 HydrophobicContact CG1-CB 4.41Å; V842-V870 HydrophobicContact CG1-CG1 3.88Å; V842-V870 HydrophobicContact CG1-CG2 3.55Å | ||
| 843 | H | 82.4 | Confident | 82.9 | Confident | 91 Ų | 91 | 38.3 Ų | 38.3 | 42% | 0.421 | 20% | 0.204 | S | C | . | . | trans | -98.9 | 162.8 | 172.1 | -64.4 | -99 | 0 | 0 | 0 | 111 | Q841 S845 D846 | Q841-H843 PolarHBondContact O-CD2 2.82Å; Q841-H843 PolarHBondContact O-N 2.98Å; H843-S845 PolarHBondContact O-N 3.11Å; H843-S845 VanDerWaalsContact O-N 3.16Å; H843-D846 PolarHBondContact N-OD2 2.66Å; H843-D846 WeakPolarHBondContact O-CB 3.47Å; H843-D846 PolarHBondContact O-N 3.25Å | ||
| 844 | L | 79.6 | Confident | 83.4 | Confident | 91 Ų | 91 | 33.8 Ų | 33.8 | 48% | 0.476 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -53.3 | -35.4 | 173.5 | -67.4 | 169.3 | 0 | 0 | 0 | 112.4 | V721 D846 Q847 V870 T872 | V721-L844 HydrophobicContact CG2-CD2 3.55Å; V721-L844 HydrophobicContact CG2-CG 3.66Å; L844-D846 PolarHBondContact O-N 2.76Å; L844-Q847 WeakPolarHBondContact O-CB 3.21Å; L844-Q847 PolarHBondContact O-N 3.1Å; L844-V870 HydrophobicContact CD2-CG1 4.15Å; L844-T872 HydrophobicContact CD1-CG2 3.98Å; L844-T872 HydrophobicContact CD2-CG2 3.89Å; L844-T872 HydrophobicContact CG-CG2 4.49Å |
| 845 | S | 77.3 | Confident | 83 | Confident | 68 Ų | 68 | 30.3 Ų | 30.3 | 48% | 0.476 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -69 | -6.3 | 177.3 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | K745 H843 | K745-S845 WeakPolarHBondContact CD-O 3.3Å; K745-S845 WeakPolarHBondContact CE-O 3.18Å; K745-S845 PolarHBondContact NZ-O 2.82Å; H843-S845 PolarHBondContact O-N 3.11Å; H843-S845 VanDerWaalsContact O-N 3.16Å |
| 846 | D | 85.4 | Confident | 82.5 | Confident | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.011 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -94.6 | 0.5 | 173.6 | -59.3 | -43.8 | 0 | 0 | 0 | 113.3 | K745 R828 V842 H843 L844 A848 Y850 | K745-D846 IonicContact NZ-OD1 2.76Å; K745-D846 PolarHBondContact NZ-OD1 3.12Å; R828-D846 IonicContact CZ-OD1 3.12Å; R828-D846 IonicContact CZ-OD2 2.68Å; R828-D846 VanDerWaalsContact CZ-OD2 3.26Å; R828-D846 IonicContact NH1-OD1 2.69Å; R828-D846 IonicContact NH1-OD2 3.96Å; R828-D846 PolarHBondContact NH1-OD2 2.92Å; R828-D846 VanDerWaalsContact NH2-CG 3.3Å; R828-D846 IonicContact NH2-OD1 2.75Å; R828-D846 PolarHBondContact NH2-OD1 3.39Å; R828-D846 IonicContact NH2-OD2 3.7Å; R828-D846 PolarHBondContact NH2-OD2 3.05Å; V842-D846 HydrophobicContact CG1-CB 4.16Å; H843-D846 PolarHBondContact N-OD2 2.66Å; H843-D846 WeakPolarHBondContact O-CB 3.47Å; H843-D846 PolarHBondContact O-N 3.25Å; L844-D846 PolarHBondContact O-N 2.76Å; D846-A848 PolarHBondContact O-N 2.91Å; D846-A848 VanDerWaalsContact O-N 3.17Å; D846-Y850 PolarHBondContact O-OH 2.57Å |
| 847 | Q | 87.8 | Confident | 81.6 | Confident | 59 Ų | 59 | 37.3 Ų | 37.3 | 28% | 0.276 | 19% | 0.186 | S | C | . | . | trans | -59.8 | 116.3 | 165.7 | 175 | 159.1 | -85 | 0 | 0 | 109.3 | P746 L844 F867 V868 V870 | P746-Q847 WeakPolarHBondContact CD-O 3.38Å; P746-Q847 HydrophobicContact CG-CG 4.38Å; L844-Q847 WeakPolarHBondContact O-CB 3.21Å; L844-Q847 PolarHBondContact O-N 3.1Å; Q847-F867 HydrophobicContact CG-CE1 4.25Å; Q847-F867 HydrophobicContact CG-CZ 4.27Å; Q847-V868 VanDerWaalsContact CA-O 3.29Å; Q847-V868 WeakPolarHBondContact CA-O 3.3Å; Q847-V870 HydrophobicContact CB-CB 4.22Å; Q847-V870 HydrophobicContact CB-CG2 3.94Å | ||
| 848 | A | 83 | Confident | 80.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | 170.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V743 K745 D846 Y850 V868 | V743-A848 HydrophobicContact CG1-CB 3.82Å; K745-A848 HydrophobicContact CB-CB 4.32Å; K745-A848 HydrophobicContact CG-CB 3.72Å; D846-A848 PolarHBondContact O-N 2.91Å; D846-A848 VanDerWaalsContact O-N 3.17Å; A848-Y850 HydrophobicContact CB-CD2 4.15Å; A848-Y850 HydrophobicContact CB-CE2 3.56Å; A848-V868 PolarHBondContact N-O 2.82Å; A848-V868 VanDerWaalsContact N-O 3.14Å; A848-V868 PolarHBondContact O-N 2.93Å |
| 849 | E | 85.1 | Confident | 78.6 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 142.7 | 153.3 | -155.2 | -173.2 | -125.3 | 0 | 0 | 111 | K744 V866 F867 D1141 R1143 | K744-E849 HydrophobicContact CG-CB 4.01Å; K744-E849 PolarHBondContact N-O 3.24Å; K744-E849 PolarHBondContact O-N 2.88Å; E849-V866 CarbonylContact C-O 3.58Å; E849-V866 WeakPolarHBondContact CA-O 3.45Å; E849-V866 VanDerWaalsContact CG-C 3.48Å; E849-V866 VanDerWaalsContact CG-O 3.22Å; E849-V866 WeakPolarHBondContact CG-O 3.37Å; E849-F867 HydrophobicContact CB-CD2 4.08Å; E849-F867 HydrophobicContact CG-CB 4.45Å; E849-F867 HydrophobicContact CG-CD2 4.5Å; E849-D1141 HydrophobicContact CB-CB 4.2Å; E849-D1141 VanDerWaalsContact OE2-CB 3.27Å; E849-D1141 WeakPolarHBondContact OE2-CB 3.14Å; E849-R1143 IonicContact OE1-CZ 3.75Å; E849-R1143 IonicContact OE1-NE 4Å; E849-R1143 PolarHBondContact OE1-NE 2.92Å; E849-R1143 IonicContact OE1-NH2 2.69Å; E849-R1143 PolarHBondContact OE1-NH2 3.05Å |
| 850 | Y | 86.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 109.6 | -178.6 | -67.6 | -100.1 | 0 | 0 | 0 | 107.2 | L727 V743 L837 I839 D846 A848 V866 V868 | L727-Y850 HydrophobicContact CD1-CD1 3.78Å; L727-Y850 HydrophobicContact CD1-CD2 3.81Å; L727-Y850 HydrophobicContact CD1-CG 3.37Å; V743-Y850 HydrophobicContact CB-CD1 4.21Å; V743-Y850 HydrophobicContact CB-CE1 4.14Å; V743-Y850 HydrophobicContact CG1-CD1 3.88Å; V743-Y850 HydrophobicContact CG1-CE1 3.49Å; V743-Y850 VanDerWaalsContact CG1-CE1 3.49Å; V743-Y850 HydrophobicContact CG1-CE2 4.34Å; V743-Y850 HydrophobicContact CG1-CG 4.42Å; V743-Y850 HydrophobicContact CG2-CD1 3.44Å; V743-Y850 VanDerWaalsContact CG2-CD1 3.44Å; V743-Y850 HydrophobicContact CG2-CE1 3.51Å; V743-Y850 HydrophobicContact CG2-CG 4.42Å; L837-Y850 HydrophobicContact CD2-CD1 3.52Å; L837-Y850 HydrophobicContact CD2-CE1 4.01Å; I839-Y850 HydrophobicContact CD1-CD1 4.42Å; I839-Y850 HydrophobicContact CD1-CE1 3.55Å; I839-Y850 HydrophobicContact CD1-CE2 4.26Å; I839-Y850 VanDerWaalsContact CD1-CZ 3.48Å; I839-Y850 WeakPolarHBondContact CD1-OH 3.27Å; D846-Y850 PolarHBondContact O-OH 2.57Å; A848-Y850 HydrophobicContact CB-CD2 4.15Å; A848-Y850 HydrophobicContact CB-CE2 3.56Å; Y850-V866 PolarHBondContact N-O 3.03Å; Y850-V866 PolarHBondContact O-N 2.8Å; Y850-V868 HydrophobicContact CD2-CB 4.21Å; Y850-V868 HydrophobicContact CD2-CG2 3.66Å; Y850-V868 HydrophobicContact CE2-CB 3.84Å; Y850-V868 HydrophobicContact CE2-CG2 3.65Å |
| 851 | I | 81.7 | Confident | 76.4 | Confident | 26 Ų | 26 | 43.8 Ų | 43.8 | 13% | 0.133 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 114.4 | -176.3 | -63.6 | 174.4 | 0 | 0 | 0 | 109.6 | W741 I742 K744 V853 R863 Q864 | W741-I851 CarbonylContact C-O 3.45Å; W741-I851 WeakPolarHBondContact CA-O 3.23Å; I742-I851 HydrophobicContact CB-CB 4.2Å; I742-I851 PolarHBondContact N-O 3.48Å; I742-I851 PolarHBondContact O-N 2.98Å; K744-I851 HydrophobicContact CD-CD1 3.46Å; K744-I851 VanDerWaalsContact CD-CD1 3.46Å; K744-I851 HydrophobicContact CD-CG1 4.36Å; K744-I851 HydrophobicContact CG-CD1 4.39Å; I851-V853 HydrophobicContact CG2-CG2 4.11Å; I851-R863 HydrophobicContact CG2-CB 4.1Å; I851-Q864 CarbonylContact C-O 3.55Å; I851-Q864 VanDerWaalsContact CA-O 3.32Å; I851-Q864 WeakPolarHBondContact CA-O 3.31Å |
| 852 | C | 85.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 138.1 | 165.1 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | I710 I713 C729 S740 W741 R863 Q864 | I710-C852 HydrophobicContact CD1-CB 4.23Å; I713-C852 HydrophobicContact CD1-CB 3.49Å; I713-C852 VanDerWaalsContact CD1-CB 3.49Å; I713-C852 HydrophobicContact CG1-CB 4.33Å; C729-C852 HydrophobicContact CB-CB 3.63Å; C729-C852 WeakPolarHBondContact CB-SG 3.32Å; C729-C852 WeakPolarHBondContact SG-CB 3.11Å; C729-C852 CovalentContact SG-SG 2.03Å; C729-C852 PolarHBondContact SG-SG 3.31Å; S740-C852 CarbonylContact O-C 3.5Å; S740-C852 WeakPolarHBondContact O-CA 3.38Å; W741-C852 HydrophobicContact CD2-CB 4.34Å; W741-C852 HydrophobicContact CE3-CB 4.14Å; W741-C852 HydrophobicContact CH2-CB 4.1Å; W741-C852 HydrophobicContact CZ2-CB 4.29Å; W741-C852 HydrophobicContact CZ3-CB 4.02Å; C852-R863 CarbonylContact O-C 3.58Å; C852-R863 VanDerWaalsContact O-CA 3.25Å; C852-R863 WeakPolarHBondContact O-CA 3.47Å; C852-Q864 PolarHBondContact N-O 3.34Å; C852-Q864 PolarHBondContact O-N 3.18Å |
| 853 | V | 80.1 | Confident | 75.6 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.036 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 113.3 | 172.9 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | S740 I742 I851 K861 T862 R863 | S740-V853 PolarHBondContact N-O 2.78Å; S740-V853 PolarHBondContact O-N 3.45Å; S740-V853 PolarHBondContact OG-O 3.45Å; S740-V853 VanDerWaalsContact OG-O 3.13Å; I742-V853 HydrophobicContact CD1-CG2 3.54Å; I742-V853 HydrophobicContact CG1-CG2 3.89Å; I851-V853 HydrophobicContact CG2-CG2 4.11Å; V853-K861 HydrophobicContact CG1-CB 4.2Å; V853-K861 HydrophobicContact CG1-CD 4.24Å; V853-K861 HydrophobicContact CG1-CG 4.4Å; V853-T862 WeakPolarHBondContact CA-O 3.45Å; V853-R863 HydrophobicContact CB-CG 4.49Å; V853-R863 HydrophobicContact CG1-CG 4.22Å; V853-R863 HydrophobicContact CG2-CB 4.4Å; V853-R863 HydrophobicContact CG2-CG 3.91Å |
| 854 | A | 81.3 | Confident | 75.4 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.2 | 175 | 0 | 0 | 0 | 0 | 0 | 109.6 | I710 A731 P737 Q738 I739 K861 T862 | I710-A854 HydrophobicContact CD1-CB 4.44Å; I710-A854 HydrophobicContact CG1-CB 3.83Å; A731-A854 HydrophobicContact CB-CB 3.45Å; A731-A854 VanDerWaalsContact CB-CB 3.45Å; P737-A854 HydrophobicContact CB-CB 4.15Å; Q738-A854 WeakPolarHBondContact O-CA 3.38Å; I739-A854 HydrophobicContact CG1-CB 4.33Å; A854-K861 CarbonylContact O-C 3.52Å; A854-K861 WeakPolarHBondContact O-CA 3.35Å; A854-T862 PolarHBondContact N-O 2.85Å; A854-T862 PolarHBondContact O-N 3.1Å |
| 855 | G | 71.2 | Confident | 75.5 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 151.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P737 Q738 I860 | P737-G855 CarbonylContact C-O 3.52Å; P737-G855 WeakPolarHBondContact CA-O 3.43Å; Q738-G855 PolarHBondContact N-O 3.4Å; Q738-G855 PolarHBondContact O-N 3.47Å; G855-I860 WeakPolarHBondContact CA-O 3.03Å |
| 856 | N | 70.7 | Confident | 76 | Confident | 13 Ų | 13 | 37.3 Ų | 37.3 | 7% | 0.07 | 20% | 0.197 | C | C | . | . | trans | -109.1 | 176.9 | 178.6 | 71.2 | 15.2 | 0 | 0 | 0 | 111.8 | P708 P735 H858 A859 I860 | P708-N856 HydrophobicContact CG-CB 4.01Å; P735-N856 VanDerWaalsContact O-CB 3.26Å; P735-N856 WeakPolarHBondContact O-CB 3.41Å; P735-N856 PolarHBondContact O-ND2 2.88Å; N856-H858 PolarHBondContact O-N 3.49Å; N856-H858 PolarHBondContact OD1-N 2.79Å; N856-A859 PolarHBondContact O-N 3.21Å; N856-I860 PolarHBondContact N-O 2.72Å | ||
| 857 | K | 65.2 | Low | 76.1 | Confident | 145 Ų | 145 | 39.5 Ų | 39.5 | 63% | 0.63 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -16.8 | -175.1 | 65.1 | 159.1 | -176.7 | 142.2 | 0 | 115 | P735 A859 | P735-K857 HydrophobicContact CG-CG 4.5Å; K857-A859 PolarHBondContact O-N 2.94Å |
| 858 | H | 63.2 | Low | 76.2 | Confident | 34 Ų | 34 | 36.7 Ų | 36.7 | 16% | 0.157 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 20.3 | 177.3 | -48 | 125.1 | 0 | 0 | 0 | 113.1 | F622 I703 P735 N856 I860 | F622-H858 HydrophobicContact CB-CB 4.06Å; F622-H858 HydrophobicContact CD2-CB 4.34Å; F622-H858 AromaticContact CD2-CE1 3.64Å; F622-H858 AromaticContact CD2-CG 3.82Å; F622-H858 AromaticContact CD2-ND1 3.18Å; F622-H858 WeakPolarHBondContact CD2-ND1 3.44Å; F622-H858 AromaticContact CE2-ND1 3.64Å; F622-H858 HydrophobicContact CG-CB 4.24Å; F622-H858 AromaticContact CG-ND1 3.93Å; I703-H858 WeakPolarHBondContact CD1-NE2 3.37Å; P735-H858 VanDerWaalsContact CD-CE1 3.44Å; P735-H858 WeakPolarHBondContact CD-CE1 3.43Å; N856-H858 PolarHBondContact O-N 3.49Å; N856-H858 PolarHBondContact OD1-N 2.79Å; H858-I860 PolarHBondContact O-N 2.81Å |
| 859 | A | 48.6 | Very low | 76.4 | Confident | 79 Ų | 79 | 42.3 Ų | 42.3 | 65% | 0.653 | 22% | 0.215 | S | C | * | . | trans | 61.5 | 6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | N856 K857 K861 | N856-A859 PolarHBondContact O-N 3.21Å; K857-A859 PolarHBondContact O-N 2.94Å; A859-K861 PolarHBondContact O-N 2.88Å | ||
| 860 | I | 58.2 | Low | 76.5 | Confident | 54 Ų | 54 | 42.2 Ų | 42.2 | 28% | 0.277 | 22% | 0.215 | S | C | . | . | trans | -70.6 | 122.8 | 172.2 | -51.4 | 171.6 | 0 | 0 | 0 | 108.3 | F622 K707 P708 G855 N856 H858 | F622-I860 HydrophobicContact CD1-CD1 3.57Å; F622-I860 HydrophobicContact CE1-CD1 3.53Å; F622-I860 HydrophobicContact CG-CD1 4.37Å; F622-I860 HydrophobicContact CZ-CD1 4.3Å; K707-I860 HydrophobicContact CB-CD1 4.4Å; K707-I860 HydrophobicContact CB-CG2 4.08Å; P708-I860 HydrophobicContact CG-CB 4.49Å; G855-I860 WeakPolarHBondContact CA-O 3.03Å; N856-I860 PolarHBondContact N-O 2.72Å; H858-I860 PolarHBondContact O-N 2.81Å | ||
| 861 | K | 64.1 | Low | 76.3 | Confident | 95 Ų | 95 | 42.3 Ų | 42.3 | 41% | 0.413 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.6 | -176.7 | -64.8 | -179.5 | -174.7 | -178.4 | 0 | 111.7 | V853 A854 A859 | V853-K861 HydrophobicContact CG1-CB 4.2Å; V853-K861 HydrophobicContact CG1-CD 4.24Å; V853-K861 HydrophobicContact CG1-CG 4.4Å; A854-K861 CarbonylContact O-C 3.52Å; A854-K861 WeakPolarHBondContact O-CA 3.35Å; A859-K861 PolarHBondContact O-N 2.88Å |
| 862 | T | 70.1 | Confident | 76.3 | Confident | 46 Ų | 46 | 42.9 Ų | 42.9 | 28% | 0.282 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 145.6 | 172.7 | -66.8 | 0 | 0 | 0 | 0 | 109.8 | P708 I710 V853 A854 | P708-T862 WeakPolarHBondContact O-CB 3.34Å; P708-T862 PolarHBondContact O-OG1 2.67Å; I710-T862 HydrophobicContact CD1-CG2 4.31Å; I710-T862 HydrophobicContact CG1-CG2 4.13Å; V853-T862 WeakPolarHBondContact CA-O 3.45Å; A854-T862 PolarHBondContact N-O 2.85Å; A854-T862 PolarHBondContact O-N 3.1Å |
| 863 | R | 79.8 | Confident | 75.9 | Confident | 84 Ų | 84 | 45.9 Ų | 45.9 | 32% | 0.317 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 144.5 | -167.8 | -48.8 | -172.4 | 178.2 | -133.8 | 8.8 | 113.1 | I851 C852 V853 M1210 E1211 | I851-R863 HydrophobicContact CG2-CB 4.1Å; C852-R863 CarbonylContact O-C 3.58Å; C852-R863 VanDerWaalsContact O-CA 3.25Å; C852-R863 WeakPolarHBondContact O-CA 3.47Å; V853-R863 HydrophobicContact CB-CG 4.49Å; V853-R863 HydrophobicContact CG1-CG 4.22Å; V853-R863 HydrophobicContact CG2-CB 4.4Å; V853-R863 HydrophobicContact CG2-CG 3.91Å; R863-M1210 PolarHBondContact NH2-O 3.02Å; R863-E1211 VanDerWaalsContact CZ-O 3.32Å; R863-E1211 PolarHBondContact NH1-O 2.92Å; R863-E1211 PolarHBondContact NH2-O 3.3Å |
| 864 | Q | 79.8 | Confident | 75.7 | Confident | 91 Ų | 91 | 51.7 Ų | 51.7 | 43% | 0.425 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 141 | 176.4 | -164.4 | 174.5 | 6.7 | 0 | 0 | 112 | I710 I713 I851 C852 | I710-Q864 HydrophobicContact CD1-CB 3.83Å; I710-Q864 HydrophobicContact CG2-CB 4.48Å; I710-Q864 VanDerWaalsContact CG2-OE1 3.25Å; I713-Q864 HydrophobicContact CD1-CB 4.01Å; I713-Q864 HydrophobicContact CD1-CG 4.33Å; I713-Q864 WeakPolarHBondContact CD1-O 3.47Å; I713-Q864 HydrophobicContact CG2-CG 4Å; I851-Q864 CarbonylContact C-O 3.55Å; I851-Q864 VanDerWaalsContact CA-O 3.32Å; I851-Q864 WeakPolarHBondContact CA-O 3.31Å; C852-Q864 PolarHBondContact N-O 3.34Å; C852-Q864 PolarHBondContact O-N 3.18Å |
| 865 | G | 81.7 | Confident | 75.5 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 27% | 0.268 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 144.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | R1143 | G865-R1143 PolarHBondContact O-NH2 2.82Å |
| 866 | V | 86.5 | Confident | 75.6 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 128.4 | 178.2 | -168.2 | 0 | 0 | 0 | 0 | 110.7 | I713 S714 A715 L727 W741 E849 Y850 | I713-V866 HydrophobicContact CD1-CG2 3.51Å; I713-V866 HydrophobicContact CG1-CG2 3.59Å; I713-V866 HydrophobicContact CG2-CG2 4.26Å; S714-V866 VanDerWaalsContact O-CG1 3.22Å; S714-V866 WeakPolarHBondContact O-CG1 3.45Å; S714-V866 WeakPolarHBondContact O-CG2 2.95Å; A715-V866 WeakPolarHBondContact O-CG1 3.39Å; L727-V866 HydrophobicContact CD2-CG1 4.06Å; W741-V866 HydrophobicContact CH2-CG2 4.48Å; W741-V866 HydrophobicContact CZ3-CG2 4.34Å; E849-V866 CarbonylContact C-O 3.58Å; E849-V866 WeakPolarHBondContact CA-O 3.45Å; E849-V866 VanDerWaalsContact CG-C 3.48Å; E849-V866 VanDerWaalsContact CG-O 3.22Å; E849-V866 WeakPolarHBondContact CG-O 3.37Å; Y850-V866 PolarHBondContact N-O 3.03Å; Y850-V866 PolarHBondContact O-N 2.8Å |
| 867 | F | 88.3 | Confident | 75.6 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 133.1 | -179.6 | -162.5 | -82.4 | 0 | 0 | 0 | 111.5 | N716 Q717 Q847 E849 R869 L1140 | N716-F867 CarbonylContact C-O 3.54Å; N716-F867 VanDerWaalsContact CA-O 3.25Å; N716-F867 WeakPolarHBondContact CA-O 3.2Å; N716-F867 WeakPolarHBondContact CB-O 3.21Å; N716-F867 PolarHBondContact OD1-N 3.37Å; Q717-F867 PolarHBondContact N-O 3.37Å; Q847-F867 HydrophobicContact CG-CE1 4.25Å; Q847-F867 HydrophobicContact CG-CZ 4.27Å; E849-F867 HydrophobicContact CB-CD2 4.08Å; E849-F867 HydrophobicContact CG-CB 4.45Å; E849-F867 HydrophobicContact CG-CD2 4.5Å; F867-R869 HydrophobicContact CD1-CB 4.38Å; F867-R869 HydrophobicContact CE1-CB 4.15Å; F867-L1140 HydrophobicContact CE2-CD1 4.03Å; F867-L1140 HydrophobicContact CE2-CD2 4.39Å |
| 868 | V | 88.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 114.4 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | Q717 I719 V725 L727 Q847 A848 Y850 V870 | Q717-V868 WeakPolarHBondContact O-CA 3.2Å; I719-V868 HydrophobicContact CG2-CG1 3.99Å; V725-V868 HydrophobicContact CG1-CG2 4.16Å; V725-V868 HydrophobicContact CG2-CG1 4.1Å; L727-V868 HydrophobicContact CD1-CG2 4.15Å; L727-V868 HydrophobicContact CD2-CG2 4.08Å; Q847-V868 VanDerWaalsContact CA-O 3.29Å; Q847-V868 WeakPolarHBondContact CA-O 3.3Å; A848-V868 PolarHBondContact N-O 2.82Å; A848-V868 VanDerWaalsContact N-O 3.14Å; A848-V868 PolarHBondContact O-N 2.93Å; Y850-V868 HydrophobicContact CD2-CB 4.21Å; Y850-V868 HydrophobicContact CD2-CG2 3.66Å; Y850-V868 HydrophobicContact CE2-CB 3.84Å; Y850-V868 HydrophobicContact CE2-CG2 3.65Å; V868-V870 HydrophobicContact CG1-CG2 4.26Å |
| 869 | R | 88.3 | Confident | 75.7 | Confident | 117 Ų | 117 | 64.1 Ų | 64.1 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 134.3 | 170.4 | -172.9 | -175.3 | 177.7 | 169.7 | -2.4 | 109 | Q717 T718 I719 F867 | Q717-R869 PolarHBondContact O-N 2.87Å; T718-R869 CarbonylContact C-O 3.58Å; T718-R869 WeakPolarHBondContact CA-O 3.21Å; T718-R869 HydrophobicContact CG2-CB 4.21Å; T718-R869 HydrophobicContact CG2-CG 4.35Å; I719-R869 PolarHBondContact N-O 3.4Å; F867-R869 HydrophobicContact CD1-CB 4.38Å; F867-R869 HydrophobicContact CE1-CB 4.15Å |
| 870 | V | 86.7 | Confident | 76 | Confident | 6 Ų | 6 | 66.8 Ų | 66.8 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 136.7 | 179.4 | -170.7 | 0 | 0 | 0 | 0 | 109.8 | I719 V721 V842 L844 Q847 V868 | I719-V870 HydrophobicContact CG2-CB 4.48Å; I719-V870 HydrophobicContact CG2-CG1 4.42Å; I719-V870 HydrophobicContact CG2-CG2 3.98Å; I719-V870 CarbonylContact O-C 3.53Å; I719-V870 WeakPolarHBondContact O-CA 3.23Å; V721-V870 HydrophobicContact CG2-CG1 3.64Å; V842-V870 HydrophobicContact CG1-CB 4.41Å; V842-V870 HydrophobicContact CG1-CG1 3.88Å; V842-V870 HydrophobicContact CG1-CG2 3.55Å; L844-V870 HydrophobicContact CD2-CG1 4.15Å; Q847-V870 HydrophobicContact CB-CB 4.22Å; Q847-V870 HydrophobicContact CB-CG2 3.94Å; V868-V870 HydrophobicContact CG1-CG2 4.26Å |
| 871 | L | 83.2 | Confident | 75.6 | Confident | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.9 | -178.2 | -60.1 | 174.7 | 0 | 0 | 0 | 110.7 | T718 I719 R720 V721 E875 Y876 Q879 | T718-L871 HydrophobicContact CG2-CD1 3.54Å; T718-L871 HydrophobicContact CG2-CG 3.95Å; I719-L871 PolarHBondContact O-N 3.1Å; R720-L871 WeakPolarHBondContact CA-O 3.27Å; V721-L871 WeakPolarHBondContact CG2-O 3.45Å; V721-L871 PolarHBondContact N-O 3.46Å; L871-E875 HydrophobicContact CB-CB 4.23Å; L871-E875 HydrophobicContact CD2-CB 4.2Å; L871-Y876 HydrophobicContact CD1-CD2 4.12Å; L871-Q879 VanDerWaalsContact CD1-OE1 3.24Å |
| 872 | T | 81.5 | Confident | 74.3 | Confident | 38 Ų | 38 | 68.6 Ų | 68.6 | 23% | 0.233 | 35% | 0.346 | C | S | . | . | trans | -58.5 | 160.6 | 165.9 | 57.1 | 0 | 0 | 0 | 0 | 111.2 | L844 E874 E875 Y876 | L844-T872 HydrophobicContact CD1-CG2 3.98Å; L844-T872 HydrophobicContact CD2-CG2 3.89Å; L844-T872 HydrophobicContact CG-CG2 4.49Å; T872-E874 PolarHBondContact O-N 2.82Å; T872-E875 VanDerWaalsContact CB-OE2 3.31Å; T872-E875 WeakPolarHBondContact CB-OE2 3.34Å; T872-E875 WeakPolarHBondContact CG2-OE2 3.37Å; T872-E875 PolarHBondContact N-OE2 3.47Å; T872-E875 PolarHBondContact O-N 2.92Å; T872-E875 WeakPolarHBondContact OG1-CB 3.47Å; T872-E875 WeakPolarHBondContact OG1-CG 3.26Å; T872-E875 PolarHBondContact OG1-N 2.93Å; T872-E875 PolarHBondContact OG1-OE2 2.83Å; T872-Y876 VanDerWaalsContact O-CB 3.25Å; T872-Y876 WeakPolarHBondContact O-CB 3.38Å; T872-Y876 PolarHBondContact O-N 2.8Å | ||
| 873 | P | 76.5 | Confident | 72.8 | Confident | 62 Ų | 62 | 73 Ų | 73 | 40% | 0.403 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -52.7 | -39.9 | 170.1 | -27.9 | 36.9 | 0 | 0 | 0 | 112.9 | T877 | P873-T877 VanDerWaalsContact O-CB 3.26Å; P873-T877 WeakPolarHBondContact O-CB 3.18Å; P873-T877 PolarHBondContact O-N 3.06Å; P873-T877 PolarHBondContact O-OG1 2.8Å; P873-T877 VanDerWaalsContact O-OG1 3.13Å |
| 874 | E | 76.2 | Confident | 70.5 | Confident | 128 Ų | 128 | 77.1 Ų | 77.1 | 60% | 0.598 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -67.3 | -46.6 | 178.1 | -69.5 | -178.7 | -146.8 | 0 | 0 | 113.2 | T872 Y876 T877 R878 | T872-E874 PolarHBondContact O-N 2.82Å; E874-Y876 VanDerWaalsContact C-N 3.34Å; E874-T877 PolarHBondContact O-N 3.46Å; E874-R878 WeakPolarHBondContact O-CB 3.45Å; E874-R878 WeakPolarHBondContact O-CG 2.74Å; E874-R878 PolarHBondContact O-N 2.75Å; E874-R878 IonicContact OE2-NH1 2.73Å; E874-R878 IonicContact OE2-NH2 3.39Å |
| 875 | E | 76.9 | Confident | 68.4 | Low | 80 Ų | 80 | 75.8 Ų | 75.8 | 37% | 0.374 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 176.2 | -70.5 | 164.1 | 113 | 0 | 0 | 111.4 | L871 T872 T877 R878 Q879 | L871-E875 HydrophobicContact CB-CB 4.23Å; L871-E875 HydrophobicContact CD2-CB 4.2Å; T872-E875 VanDerWaalsContact CB-OE2 3.31Å; T872-E875 WeakPolarHBondContact CB-OE2 3.34Å; T872-E875 WeakPolarHBondContact CG2-OE2 3.37Å; T872-E875 PolarHBondContact N-OE2 3.47Å; T872-E875 PolarHBondContact O-N 2.92Å; T872-E875 WeakPolarHBondContact OG1-CB 3.47Å; T872-E875 WeakPolarHBondContact OG1-CG 3.26Å; T872-E875 PolarHBondContact OG1-N 2.93Å; T872-E875 PolarHBondContact OG1-OE2 2.83Å; E875-T877 VanDerWaalsContact C-N 3.34Å; E875-R878 PolarHBondContact O-N 2.03Å; E875-Q879 WeakPolarHBondContact O-CB 2.99Å; E875-Q879 PolarHBondContact O-N 3.35Å |
| 876 | Y | 72.6 | Confident | 66.3 | Low | 69 Ų | 69 | 79.1 Ų | 79.1 | 27% | 0.271 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 175.9 | -169.6 | -90.5 | 0 | 0 | 0 | 111 | R720 L871 T872 E874 Q879 Q880 | R720-Y876 HydrophobicContact CB-CD2 3.77Å; R720-Y876 HydrophobicContact CB-CE2 4.04Å; R720-Y876 HydrophobicContact CB-CG 4.09Å; R720-Y876 HydrophobicContact CG-CD2 4.33Å; R720-Y876 HydrophobicContact CG-CG 4.14Å; L871-Y876 HydrophobicContact CD1-CD2 4.12Å; T872-Y876 VanDerWaalsContact O-CB 3.25Å; T872-Y876 WeakPolarHBondContact O-CB 3.38Å; T872-Y876 PolarHBondContact O-N 2.8Å; E874-Y876 VanDerWaalsContact C-N 3.34Å; Y876-Q879 PolarHBondContact O-N 3.3Å; Y876-Q880 HydrophobicContact CD1-CG 4.39Å; Y876-Q880 HydrophobicContact CE1-CG 4.19Å; Y876-Q880 VanDerWaalsContact CE1-OE1 3.25Å; Y876-Q880 WeakPolarHBondContact O-CG 3.3Å; Y876-Q880 PolarHBondContact O-N 2.92Å |
| 877 | T | 70.7 | Confident | 64 | Low | 58 Ų | 58 | 83.5 Ų | 83.5 | 36% | 0.356 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.4 | -41.7 | 176.1 | -72.3 | 0 | 0 | 0 | 0 | 112.3 | P873 E874 E875 Q879 Q880 L881 | P873-T877 VanDerWaalsContact O-CB 3.26Å; P873-T877 WeakPolarHBondContact O-CB 3.18Å; P873-T877 PolarHBondContact O-N 3.06Å; P873-T877 PolarHBondContact O-OG1 2.8Å; P873-T877 VanDerWaalsContact O-OG1 3.13Å; E874-T877 PolarHBondContact O-N 3.46Å; E875-T877 VanDerWaalsContact C-N 3.34Å; T877-Q879 VanDerWaalsContact C-N 3.32Å; T877-Q879 PolarHBondContact O-N 2.96Å; T877-Q880 CarbonylContact O-C 3.53Å; T877-Q880 PolarHBondContact O-N 2.91Å; T877-Q880 VanDerWaalsContact O-N 3.14Å; T877-L881 HydrophobicContact CG2-CD1 3.55Å; T877-L881 HydrophobicContact CG2-CG 4.14Å; T877-L881 WeakPolarHBondContact O-CB 3.07Å; T877-L881 WeakPolarHBondContact O-CG 3.32Å; T877-L881 PolarHBondContact O-N 3.38Å |
| 878 | R | 66.2 | Low | 61.9 | Low | 139 Ų | 139 | 86.3 Ų | 86.3 | 53% | 0.525 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 171.2 | -75.7 | -177.5 | -179.4 | 113.3 | 6.3 | 111.8 | E874 E875 Q880 L881 G882 | E874-R878 WeakPolarHBondContact O-CB 3.45Å; E874-R878 WeakPolarHBondContact O-CG 2.74Å; E874-R878 PolarHBondContact O-N 2.75Å; E874-R878 IonicContact OE2-NH1 2.73Å; E874-R878 IonicContact OE2-NH2 3.39Å; E875-R878 PolarHBondContact O-N 2.03Å; R878-Q880 VanDerWaalsContact C-N 3.26Å; R878-Q880 PolarHBondContact O-N 2.8Å; R878-L881 PolarHBondContact O-N 3.12Å; R878-G882 PolarHBondContact O-N 2.98Å |
| 879 | Q | 63.8 | Low | 59.4 | Low | 122 Ų | 122 | 88.2 Ų | 88.2 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -70.7 | -19.1 | 177.1 | -171.1 | 169.1 | -10 | 0 | 0 | 113.1 | L871 E875 Y876 T877 | L871-Q879 VanDerWaalsContact CD1-OE1 3.24Å; E875-Q879 WeakPolarHBondContact O-CB 2.99Å; E875-Q879 PolarHBondContact O-N 3.35Å; Y876-Q879 PolarHBondContact O-N 3.3Å; T877-Q879 VanDerWaalsContact C-N 3.32Å; T877-Q879 PolarHBondContact O-N 2.96Å |
| 880 | Q | 55.7 | Low | 57.1 | Low | 134 Ų | 134 | 87.6 Ų | 87.6 | 63% | 0.626 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -91.5 | -26.4 | 169.5 | -75.4 | -170.2 | -43.1 | 0 | 0 | 114 | Y876 T877 R878 | Y876-Q880 HydrophobicContact CD1-CG 4.39Å; Y876-Q880 HydrophobicContact CE1-CG 4.19Å; Y876-Q880 VanDerWaalsContact CE1-OE1 3.25Å; Y876-Q880 WeakPolarHBondContact O-CG 3.3Å; Y876-Q880 PolarHBondContact O-N 2.92Å; T877-Q880 CarbonylContact O-C 3.53Å; T877-Q880 PolarHBondContact O-N 2.91Å; T877-Q880 VanDerWaalsContact O-N 3.14Å; R878-Q880 VanDerWaalsContact C-N 3.26Å; R878-Q880 PolarHBondContact O-N 2.8Å |
| 881 | L | 50.2 | Low | 55 | Low | 125 Ų | 125 | 91.7 Ų | 91.7 | 65% | 0.654 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -87.4 | -19.8 | -179.6 | -74.1 | 173.2 | 0 | 0 | 0 | 114 | T877 R878 | T877-L881 HydrophobicContact CG2-CD1 3.55Å; T877-L881 HydrophobicContact CG2-CG 4.14Å; T877-L881 WeakPolarHBondContact O-CB 3.07Å; T877-L881 WeakPolarHBondContact O-CG 3.32Å; T877-L881 PolarHBondContact O-N 3.38Å; R878-L881 PolarHBondContact O-N 3.12Å |
| 882 | G | 36.9 | Very low | 53.2 | Low | 62 Ų | 62 | 97 Ų | 97 | 64% | 0.639 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 23.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R878 | R878-G882 PolarHBondContact O-N 2.98Š|
| 883 | E | 38.9 | Very low | 51.4 | Low | 138 Ų | 138 | 99.3 Ų | 99.3 | 65% | 0.645 | 54% | 0.536 | S | S | * | . | trans | -61.8 | 138.1 | -177.8 | -71.9 | -172 | 128.3 | 0 | 0 | 114.1 | G885 | E883-G885 PolarHBondContact O-N 3.35Š| ||
| 884 | E | 31.5 | Very low | 50.4 | Low | 171 Ų | 171 | 100.4 Ų | 100.4 | 80% | 0.799 | 54% | 0.538 | S | S | * | . | trans | -62.9 | 70.1 | -168.7 | -55.6 | -178.1 | 132.6 | 0 | 0 | 115.9 | ||||
| 885 | G | 35 | Very low | 49.4 | Very low | 64 Ų | 64 | 101.1 Ų | 101.1 | 66% | 0.66 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -79.1 | -13 | -178 | 0 | 0 | 0 | 0 | 0 | 117.2 | E883 N887 | E883-G885 PolarHBondContact O-N 3.35Å; G885-N887 PolarHBondContact O-N 3.3Å |
| 886 | T | 36.7 | Very low | 48.4 | Very low | 96 Ų | 96 | 102.5 Ų | 102.5 | 59% | 0.589 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -84.2 | -3.2 | -167.1 | 49.2 | 0 | 0 | 0 | 0 | 115.3 | T888 G889 M890 | T886-T888 PolarHBondContact O-N 2.84Å; T886-T888 VanDerWaalsContact O-N 3.16Å; T886-G889 PolarHBondContact O-N 2.88Å; T886-M890 WeakPolarHBondContact O-CB 3.37Å; T886-M890 PolarHBondContact O-N 2.98Å |
| 887 | N | 39.7 | Very low | 47.8 | Very low | 92 Ų | 92 | 103.6 Ų | 103.6 | 49% | 0.492 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -74.9 | 3.8 | -176 | -80.6 | -33.6 | 0 | 0 | 0 | 115.7 | G885 M891 | G885-N887 PolarHBondContact O-N 3.3Å; N887-M891 WeakPolarHBondContact O-CB 3.43Å; N887-M891 WeakPolarHBondContact O-CG 3.45Å |
| 888 | T | 43.5 | Very low | 47.6 | Very low | 108 Ų | 108 | 104.5 Ų | 104.5 | 66% | 0.663 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -42.1 | 168.6 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | T886 K892 | T886-T888 PolarHBondContact O-N 2.84Å; T886-T888 VanDerWaalsContact O-N 3.16Å; T888-K892 WeakPolarHBondContact O-CB 3.46Å; T888-K892 WeakPolarHBondContact O-CG 3.41Å; T888-K892 PolarHBondContact O-N 2.99Å |
| 889 | G | 37.2 | Very low | 47.6 | Very low | 40 Ų | 40 | 99.7 Ų | 99.7 | 41% | 0.412 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.8 | -50.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | T886 K892 T893 | T886-G889 PolarHBondContact O-N 2.88Å; G889-K892 PolarHBondContact O-N 3.28Å; G889-K892 VanDerWaalsContact O-N 3.16Å; G889-T893 PolarHBondContact O-N 3.46Å; G889-T893 PolarHBondContact O-OG1 3.04Å |
| 890 | M | 38.8 | Very low | 47.5 | Very low | 105 Ų | 105 | 97.7 Ų | 97.7 | 52% | 0.517 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.4 | -37.4 | -179.5 | -155.1 | -176 | -56.8 | 0 | 0 | 111.9 | T886 T893 I894 | T886-M890 WeakPolarHBondContact O-CB 3.37Å; T886-M890 PolarHBondContact O-N 2.98Å; M890-T893 PolarHBondContact O-N 2.95Å; M890-I894 HydrophobicContact CG-CD1 4.22Å; M890-I894 WeakPolarHBondContact O-CB 3.36Å; M890-I894 VanDerWaalsContact O-CG1 3.25Å; M890-I894 WeakPolarHBondContact O-CG1 3.21Å; M890-I894 PolarHBondContact O-N 3.28Å |
| 891 | M | 43.6 | Very low | 48 | Very low | 91 Ų | 91 | 93.5 Ų | 93.5 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 168.5 | -83.5 | -72.5 | -158.5 | 0 | 0 | 112 | N887 T893 I894 F895 | N887-M891 WeakPolarHBondContact O-CB 3.43Å; N887-M891 WeakPolarHBondContact O-CG 3.45Å; M891-T893 VanDerWaalsContact C-N 3.33Å; M891-T893 PolarHBondContact O-N 3.28Å; M891-I894 CarbonylContact O-C 3.56Å; M891-I894 PolarHBondContact O-N 3.05Å; M891-F895 HydrophobicContact CB-CD2 4.17Å; M891-F895 HydrophobicContact CB-CE2 4.12Å; M891-F895 HydrophobicContact CG-CE2 4.46Å; M891-F895 WeakPolarHBondContact O-CB 3.36Å; M891-F895 WeakPolarHBondContact O-CD2 3.01Å; M891-F895 PolarHBondContact O-N 3.47Å; M891-F895 HydrophobicContact SD-CD2 4.44Å; M891-F895 HydrophobicContact SD-CE2 3.79Å; M891-F895 HydrophobicContact SD-CZ 4.26Å |
| 892 | K | 44.2 | Very low | 49.1 | Very low | 116 Ų | 116 | 92 Ų | 92 | 50% | 0.504 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 174.8 | -81.2 | 178.2 | 178 | -177.5 | 0 | 111.5 | T888 G889 F895 I896 | T888-K892 WeakPolarHBondContact O-CB 3.46Å; T888-K892 WeakPolarHBondContact O-CG 3.41Å; T888-K892 PolarHBondContact O-N 2.99Å; G889-K892 PolarHBondContact O-N 3.28Å; G889-K892 VanDerWaalsContact O-N 3.16Å; K892-F895 PolarHBondContact O-N 2.81Å; K892-I896 VanDerWaalsContact O-CB 3.32Å; K892-I896 WeakPolarHBondContact O-CB 3.32Å; K892-I896 WeakPolarHBondContact O-CD1 3.28Å; K892-I896 WeakPolarHBondContact O-CG1 3.42Å; K892-I896 PolarHBondContact O-N 2.88Å |
| 893 | T | 45.2 | Very low | 50.4 | Low | 85 Ų | 85 | 92 Ų | 92 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -39.1 | 173.8 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | G889 M890 M891 I896 V897 | G889-T893 PolarHBondContact O-N 3.46Å; G889-T893 PolarHBondContact O-OG1 3.04Å; M890-T893 PolarHBondContact O-N 2.95Å; M891-T893 VanDerWaalsContact C-N 3.33Å; M891-T893 PolarHBondContact O-N 3.28Å; T893-I896 PolarHBondContact O-N 2.98Å; T893-V897 HydrophobicContact CG2-CG2 4.25Å; T893-V897 VanDerWaalsContact O-CB 3.32Å; T893-V897 WeakPolarHBondContact O-CB 3.25Å; T893-V897 VanDerWaalsContact O-CG2 3.26Å; T893-V897 WeakPolarHBondContact O-CG2 3.34Å; T893-V897 PolarHBondContact O-N 3.43Å |
| 894 | I | 54.9 | Low | 51.6 | Low | 85 Ų | 85 | 92.9 Ų | 92.9 | 44% | 0.436 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.1 | -44.6 | 175.8 | -70.7 | 164.3 | 0 | 0 | 0 | 110.8 | M890 M891 I896 V897 V898 | M890-I894 HydrophobicContact CG-CD1 4.22Å; M890-I894 WeakPolarHBondContact O-CB 3.36Å; M890-I894 VanDerWaalsContact O-CG1 3.25Å; M890-I894 WeakPolarHBondContact O-CG1 3.21Å; M890-I894 PolarHBondContact O-N 3.28Å; M891-I894 CarbonylContact O-C 3.56Å; M891-I894 PolarHBondContact O-N 3.05Å; I894-I896 VanDerWaalsContact C-N 3.3Å; I894-I896 PolarHBondContact O-N 3.01Å; I894-V897 PolarHBondContact O-N 3.09Å; I894-V898 HydrophobicContact CG2-CG2 4.01Å; I894-V898 WeakPolarHBondContact O-CA 3.31Å; I894-V898 WeakPolarHBondContact O-CB 3.35Å; I894-V898 VanDerWaalsContact O-CG2 3.22Å; I894-V898 WeakPolarHBondContact O-CG2 3.49Å; I894-V898 PolarHBondContact O-N 3.32Å |
| 895 | F | 54.3 | Low | 53.4 | Low | 143 Ų | 143 | 89.4 Ų | 89.4 | 63% | 0.627 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.1 | -29.8 | 174.8 | -75.4 | -60.3 | 0 | 0 | 0 | 112.7 | M891 K892 G899 | M891-F895 HydrophobicContact CB-CD2 4.17Å; M891-F895 HydrophobicContact CB-CE2 4.12Å; M891-F895 HydrophobicContact CG-CE2 4.46Å; M891-F895 WeakPolarHBondContact O-CB 3.36Å; M891-F895 WeakPolarHBondContact O-CD2 3.01Å; M891-F895 PolarHBondContact O-N 3.47Å; M891-F895 HydrophobicContact SD-CD2 4.44Å; M891-F895 HydrophobicContact SD-CE2 3.79Å; M891-F895 HydrophobicContact SD-CZ 4.26Å; K892-F895 PolarHBondContact O-N 2.81Å; F895-G899 WeakPolarHBondContact O-CA 3.5Å; F895-G899 PolarHBondContact O-N 3.21Å |
| 896 | I | 57.8 | Low | 55.2 | Low | 109 Ų | 109 | 88.3 Ų | 88.3 | 56% | 0.559 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -75.6 | -43.8 | 171.9 | -70.4 | 164.6 | 0 | 0 | 0 | 110.8 | K892 T893 I894 G899 C900 | K892-I896 VanDerWaalsContact O-CB 3.32Å; K892-I896 WeakPolarHBondContact O-CB 3.32Å; K892-I896 WeakPolarHBondContact O-CD1 3.28Å; K892-I896 WeakPolarHBondContact O-CG1 3.42Å; K892-I896 PolarHBondContact O-N 2.88Å; T893-I896 PolarHBondContact O-N 2.98Å; I894-I896 VanDerWaalsContact C-N 3.3Å; I894-I896 PolarHBondContact O-N 3.01Å; I896-G899 PolarHBondContact O-N 3.36Å; I896-C900 WeakPolarHBondContact O-CB 3.31Å; I896-C900 PolarHBondContact O-N 2.99Å; I896-C900 PolarHBondContact O-SG 2.95Å |
| 897 | V | 58.6 | Low | 56.6 | Low | 92 Ų | 92 | 88.6 Ų | 88.6 | 56% | 0.558 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.1 | -42.5 | 179.5 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | T893 I894 A901 | T893-V897 HydrophobicContact CG2-CG2 4.25Å; T893-V897 VanDerWaalsContact O-CB 3.32Å; T893-V897 WeakPolarHBondContact O-CB 3.25Å; T893-V897 VanDerWaalsContact O-CG2 3.26Å; T893-V897 WeakPolarHBondContact O-CG2 3.34Å; T893-V897 PolarHBondContact O-N 3.43Å; I894-V897 PolarHBondContact O-N 3.09Å; V897-A901 WeakPolarHBondContact O-CB 3.3Å; V897-A901 PolarHBondContact O-N 3.2Å |
| 898 | V | 66.6 | Low | 58 | Low | 78 Ų | 78 | 87.6 Ų | 87.6 | 47% | 0.473 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.6 | -39.1 | 171.2 | 175.7 | 0 | 0 | 0 | 0 | 110.3 | I894 A901 V902 | I894-V898 HydrophobicContact CG2-CG2 4.01Å; I894-V898 WeakPolarHBondContact O-CA 3.31Å; I894-V898 WeakPolarHBondContact O-CB 3.35Å; I894-V898 VanDerWaalsContact O-CG2 3.22Å; I894-V898 WeakPolarHBondContact O-CG2 3.49Å; I894-V898 PolarHBondContact O-N 3.32Å; V898-A901 PolarHBondContact O-N 2.83Å; V898-V902 HydrophobicContact CG1-CG2 4.06Å; V898-V902 VanDerWaalsContact O-CB 3.24Å; V898-V902 WeakPolarHBondContact O-CB 3.46Å; V898-V902 VanDerWaalsContact O-CG2 3.22Å; V898-V902 WeakPolarHBondContact O-CG2 3.46Å; V898-V902 PolarHBondContact O-N 3.14Å |
| 899 | G | 66.8 | Low | 59.3 | Low | 38 Ų | 38 | 87.1 Ų | 87.1 | 39% | 0.392 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | F895 I896 V902 A903 | F895-G899 WeakPolarHBondContact O-CA 3.5Å; F895-G899 PolarHBondContact O-N 3.21Å; I896-G899 PolarHBondContact O-N 3.36Å; G899-V902 PolarHBondContact O-N 3.33Å; G899-A903 WeakPolarHBondContact O-CB 3.42Å; G899-A903 PolarHBondContact O-N 3.04Å |
| 900 | C | 61.9 | Low | 60.7 | Low | 79 Ų | 79 | 86.5 Ų | 86.5 | 53% | 0.534 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.5 | -36.5 | 172.8 | -71.9 | 0 | 0 | 0 | 0 | 112 | I896 A903 Y904 | I896-C900 WeakPolarHBondContact O-CB 3.31Å; I896-C900 PolarHBondContact O-N 2.99Å; I896-C900 PolarHBondContact O-SG 2.95Å; C900-A903 PolarHBondContact O-N 3.06Å; C900-Y904 WeakPolarHBondContact O-CB 3.42Å; C900-Y904 PolarHBondContact O-N 3.28Å |
| 901 | A | 66 | Low | 61.7 | Low | 46 Ų | 46 | 84.8 Ų | 84.8 | 38% | 0.38 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.6 | -38.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V897 V898 Y904 L905 | V897-A901 WeakPolarHBondContact O-CB 3.3Å; V897-A901 PolarHBondContact O-N 3.2Å; V898-A901 PolarHBondContact O-N 2.83Å; A901-Y904 PolarHBondContact O-N 2.95Å; A901-L905 WeakPolarHBondContact O-CB 3.33Å; A901-L905 WeakPolarHBondContact O-CG 3.43Å; A901-L905 PolarHBondContact O-N 3.08Å |
| 902 | V | 72.4 | Confident | 62.6 | Low | 93 Ų | 93 | 82.1 Ų | 82.1 | 56% | 0.564 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -72.5 | -32.9 | 174.1 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | V898 G899 G906 | V898-V902 HydrophobicContact CG1-CG2 4.06Å; V898-V902 VanDerWaalsContact O-CB 3.24Å; V898-V902 WeakPolarHBondContact O-CB 3.46Å; V898-V902 VanDerWaalsContact O-CG2 3.22Å; V898-V902 WeakPolarHBondContact O-CG2 3.46Å; V898-V902 PolarHBondContact O-N 3.14Å; G899-V902 PolarHBondContact O-N 3.33Å; V902-G906 VanDerWaalsContact O-CA 3.28Å; V902-G906 WeakPolarHBondContact O-CA 3.39Å; V902-G906 PolarHBondContact O-N 3.41Å |
| 903 | A | 65.8 | Low | 63.3 | Low | 62 Ų | 62 | 79.9 Ų | 79.9 | 51% | 0.512 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.9 | -37.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G899 C900 G906 L907 | G899-A903 WeakPolarHBondContact O-CB 3.42Å; G899-A903 PolarHBondContact O-N 3.04Å; C900-A903 PolarHBondContact O-N 3.06Å; A903-G906 CarbonylContact O-C 3.6Å; A903-G906 PolarHBondContact O-N 3.47Å; A903-L907 WeakPolarHBondContact O-CB 3.48Å; A903-L907 PolarHBondContact O-N 2.73Å |
| 904 | Y | 62.8 | Low | 64 | Low | 158 Ų | 158 | 78.9 Ų | 78.9 | 62% | 0.62 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -73.4 | -43.1 | 177.8 | -168.5 | -104.6 | 0 | 0 | 0 | 111.4 | C900 A901 G906 L907 I908 | C900-Y904 WeakPolarHBondContact O-CB 3.42Å; C900-Y904 PolarHBondContact O-N 3.28Å; A901-Y904 PolarHBondContact O-N 2.95Å; Y904-G906 VanDerWaalsContact C-N 3.33Å; Y904-L907 CarbonylContact O-C 3.57Å; Y904-L907 PolarHBondContact O-N 2.8Å; Y904-I908 HydrophobicContact CD1-CD1 3.68Å; Y904-I908 HydrophobicContact CE1-CD1 3.45Å; Y904-I908 VanDerWaalsContact CE1-CD1 3.45Å; Y904-I908 HydrophobicContact CE1-CG1 4.47Å; Y904-I908 WeakPolarHBondContact O-CB 3.38Å; Y904-I908 VanDerWaalsContact O-CG1 3.31Å; Y904-I908 WeakPolarHBondContact O-CG1 3.47Å; Y904-I908 PolarHBondContact O-N 2.94Å |
| 905 | L | 70.7 | Confident | 63.7 | Low | 97 Ų | 97 | 75.6 Ų | 75.6 | 51% | 0.508 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.5 | -38.4 | 167.5 | -73.3 | 168.1 | 0 | 0 | 0 | 111.1 | A901 L907 I908 I909 | A901-L905 WeakPolarHBondContact O-CB 3.33Å; A901-L905 WeakPolarHBondContact O-CG 3.43Å; A901-L905 PolarHBondContact O-N 3.08Å; L905-L907 VanDerWaalsContact C-N 3.32Å; L905-L907 PolarHBondContact O-N 2.76Å; L905-I908 PolarHBondContact O-N 2.79Å; L905-I909 WeakPolarHBondContact O-CB 3.48Å; L905-I909 WeakPolarHBondContact O-CD1 3.34Å; L905-I909 WeakPolarHBondContact O-CG1 3.21Å; L905-I909 PolarHBondContact O-N 2.85Å |
| 906 | G | 71.1 | Confident | 63.7 | Low | 41 Ų | 41 | 72 Ų | 72 | 42% | 0.423 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.4 | -26.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V902 A903 Y904 G910 | V902-G906 VanDerWaalsContact O-CA 3.28Å; V902-G906 WeakPolarHBondContact O-CA 3.39Å; V902-G906 PolarHBondContact O-N 3.41Å; A903-G906 CarbonylContact O-C 3.6Å; A903-G906 PolarHBondContact O-N 3.47Å; Y904-G906 VanDerWaalsContact C-N 3.33Å; G906-G910 WeakPolarHBondContact O-CA 3.43Å; G906-G910 PolarHBondContact O-N 2.69Å |
| 907 | L | 67.4 | Low | 63.4 | Low | 103 Ų | 103 | 69.5 Ų | 69.5 | 54% | 0.539 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -87.2 | -28.6 | 174.5 | -170.5 | 148.6 | 0 | 0 | 0 | 111.4 | A903 Y904 L905 L911 | A903-L907 WeakPolarHBondContact O-CB 3.48Å; A903-L907 PolarHBondContact O-N 2.73Å; Y904-L907 CarbonylContact O-C 3.57Å; Y904-L907 PolarHBondContact O-N 2.8Å; L905-L907 VanDerWaalsContact C-N 3.32Å; L905-L907 PolarHBondContact O-N 2.76Å; L907-L911 HydrophobicContact CD2-CD1 3.73Å; L907-L911 HydrophobicContact CD2-CG 4.36Å; L907-L911 WeakPolarHBondContact O-CB 3.17Å; L907-L911 WeakPolarHBondContact O-CG 3.23Å; L907-L911 PolarHBondContact O-N 3.01Å |
| 908 | I | 68.3 | Low | 62.7 | Low | 70 Ų | 70 | 71.7 Ų | 71.7 | 36% | 0.359 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -71.6 | -55.9 | 167.3 | -73.4 | 170 | 0 | 0 | 0 | 110.1 | Y904 L905 G910 L911 T912 | Y904-I908 HydrophobicContact CD1-CD1 3.68Å; Y904-I908 HydrophobicContact CE1-CD1 3.45Å; Y904-I908 VanDerWaalsContact CE1-CD1 3.45Å; Y904-I908 HydrophobicContact CE1-CG1 4.47Å; Y904-I908 WeakPolarHBondContact O-CB 3.38Å; Y904-I908 VanDerWaalsContact O-CG1 3.31Å; Y904-I908 WeakPolarHBondContact O-CG1 3.47Å; Y904-I908 PolarHBondContact O-N 2.94Å; L905-I908 PolarHBondContact O-N 2.79Å; I908-G910 PolarHBondContact O-N 2.94Å; I908-L911 CarbonylContact O-C 3.59Å; I908-L911 PolarHBondContact O-N 3.26Å; I908-T912 HydrophobicContact CG2-CG2 4.25Å; I908-T912 WeakPolarHBondContact O-CB 3.13Å; I908-T912 VanDerWaalsContact O-CG2 3.23Å; I908-T912 WeakPolarHBondContact O-CG2 3.41Å; I908-T912 PolarHBondContact O-N 2.92Å; I908-T912 PolarHBondContact O-OG1 2.91Å |
| 909 | I | 71.5 | Confident | 61.6 | Low | 99 Ų | 99 | 73.6 Ų | 73.6 | 51% | 0.508 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.2 | -42.1 | 173.5 | -66.7 | 164.5 | 0 | 0 | 0 | 109.5 | L905 T912 T913 | L905-I909 WeakPolarHBondContact O-CB 3.48Å; L905-I909 WeakPolarHBondContact O-CD1 3.34Å; L905-I909 WeakPolarHBondContact O-CG1 3.21Å; L905-I909 PolarHBondContact O-N 2.85Å; I909-T912 PolarHBondContact O-N 2.77Å; I909-T912 PolarHBondContact O-OG1 2.99Å; I909-T913 HydrophobicContact CG2-CG2 3.89Å; I909-T913 VanDerWaalsContact O-CB 3.23Å; I909-T913 WeakPolarHBondContact O-CB 3.15Å; I909-T913 WeakPolarHBondContact O-CG2 3.44Å; I909-T913 PolarHBondContact O-N 3Å; I909-T913 PolarHBondContact O-OG1 3.35Å |
| 910 | G | 66.6 | Low | 60.7 | Low | 27 Ų | 27 | 75 Ų | 75 | 28% | 0.278 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -50.8 | -67.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | G906 I908 T912 T913 F914 | G906-G910 WeakPolarHBondContact O-CA 3.43Å; G906-G910 PolarHBondContact O-N 2.69Å; I908-G910 PolarHBondContact O-N 2.94Å; G910-T912 PolarHBondContact O-N 3.21Å; G910-T913 PolarHBondContact O-N 2.9Å; G910-T913 PolarHBondContact O-OG1 3.35Å; G910-T913 VanDerWaalsContact O-OG1 3.11Å; G910-F914 WeakPolarHBondContact O-CB 3.44Å; G910-F914 PolarHBondContact O-N 2.9Å |
| 911 | L | 59.5 | Low | 59.7 | Low | 68 Ų | 68 | 78 Ų | 78 | 36% | 0.356 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.1 | -45.2 | 179.3 | -73.8 | 172.6 | 0 | 0 | 0 | 113.1 | L907 I908 F914 L1025 M1026 | L907-L911 HydrophobicContact CD2-CD1 3.73Å; L907-L911 HydrophobicContact CD2-CG 4.36Å; L907-L911 WeakPolarHBondContact O-CB 3.17Å; L907-L911 WeakPolarHBondContact O-CG 3.23Å; L907-L911 PolarHBondContact O-N 3.01Å; I908-L911 CarbonylContact O-C 3.59Å; I908-L911 PolarHBondContact O-N 3.26Å; L911-F914 HydrophobicContact CD2-CD1 4.12Å; L911-F914 HydrophobicContact CD2-CE1 4.47Å; L911-F914 WeakPolarHBondContact O-CB 3.25Å; L911-F914 PolarHBondContact O-N 2.72Å; L911-L1025 CarbonylContact O-C 3.59Å; L911-L1025 WeakPolarHBondContact O-CA 3.37Å; L911-M1026 PolarHBondContact O-N 2.88Å |
| 912 | T | 61.4 | Low | 58.6 | Low | 36 Ų | 36 | 81.4 Ų | 81.4 | 22% | 0.221 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -74.1 | -36 | -174.5 | 61.2 | 0 | 0 | 0 | 0 | 113.2 | I908 I909 G910 F914 S916 H1023 | I908-T912 HydrophobicContact CG2-CG2 4.25Å; I908-T912 WeakPolarHBondContact O-CB 3.13Å; I908-T912 VanDerWaalsContact O-CG2 3.23Å; I908-T912 WeakPolarHBondContact O-CG2 3.41Å; I908-T912 PolarHBondContact O-N 2.92Å; I908-T912 PolarHBondContact O-OG1 2.91Å; I909-T912 PolarHBondContact O-N 2.77Å; I909-T912 PolarHBondContact O-OG1 2.99Å; G910-T912 PolarHBondContact O-N 3.21Å; T912-F914 VanDerWaalsContact C-N 3.31Å; T912-S916 VanDerWaalsContact O-CB 3.27Å; T912-S916 WeakPolarHBondContact O-CB 3.36Å; T912-S916 PolarHBondContact O-N 2.96Å; T912-S916 VanDerWaalsContact O-N 3.1Å; T912-S916 PolarHBondContact O-OG 2.75Å; T912-H1023 WeakPolarHBondContact CG2-O 3.41Å |
| 913 | T | 60.2 | Low | 57 | Low | 69 Ų | 69 | 87.1 Ų | 87.1 | 42% | 0.423 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.1 | -33.5 | 170.9 | 60 | 0 | 0 | 0 | 0 | 111.4 | I909 G910 C915 S916 V917 | I909-T913 HydrophobicContact CG2-CG2 3.89Å; I909-T913 VanDerWaalsContact O-CB 3.23Å; I909-T913 WeakPolarHBondContact O-CB 3.15Å; I909-T913 WeakPolarHBondContact O-CG2 3.44Å; I909-T913 PolarHBondContact O-N 3Å; I909-T913 PolarHBondContact O-OG1 3.35Å; G910-T913 PolarHBondContact O-N 2.9Å; G910-T913 PolarHBondContact O-OG1 3.35Å; G910-T913 VanDerWaalsContact O-OG1 3.11Å; T913-C915 PolarHBondContact O-N 2.79Å; T913-S916 PolarHBondContact O-N 3.02Å; T913-V917 WeakPolarHBondContact O-CB 3.06Å; T913-V917 WeakPolarHBondContact O-CG2 3.41Å; T913-V917 PolarHBondContact O-N 3.36Å |
| 914 | F | 58.8 | Low | 55.6 | Low | 64 Ų | 64 | 93.1 Ų | 93.1 | 28% | 0.281 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56.9 | -50 | -176.8 | -168.4 | -126.4 | 0 | 0 | 0 | 109.5 | G910 L911 T912 V917 R918 M1026 C1027 T1028 | G910-F914 WeakPolarHBondContact O-CB 3.44Å; G910-F914 PolarHBondContact O-N 2.9Å; L911-F914 HydrophobicContact CD2-CD1 4.12Å; L911-F914 HydrophobicContact CD2-CE1 4.47Å; L911-F914 WeakPolarHBondContact O-CB 3.25Å; L911-F914 PolarHBondContact O-N 2.72Å; T912-F914 VanDerWaalsContact C-N 3.31Å; F914-V917 CarbonylContact O-C 3.59Å; F914-V917 WeakPolarHBondContact O-CB 3.25Å; F914-V917 PolarHBondContact O-N 3Å; F914-R918 PolarHBondContact O-N 3.44Å; F914-M1026 CarbonylContact C-O 3.6Å; F914-M1026 VanDerWaalsContact CD1-C 3.45Å; F914-M1026 HydrophobicContact CE1-CE 4.3Å; F914-M1026 HydrophobicContact CE1-SD 4.02Å; F914-M1026 CarbonylContact O-C 3.55Å; F914-M1026 VanDerWaalsContact O-C 3.3Å; F914-M1026 VanDerWaalsContact O-O 3.05Å; F914-C1027 VanDerWaalsContact CD2-N 3.26Å; F914-C1027 VanDerWaalsContact CE1-N 3.28Å; F914-C1027 VanDerWaalsContact CE2-CA 3.44Å; F914-C1027 HydrophobicContact CE2-CB 4.43Å; F914-C1027 VanDerWaalsContact CG-CA 3.42Å; F914-C1027 HydrophobicContact CZ-CB 4.43Å; F914-C1027 CarbonylContact O-C 3.59Å; F914-C1027 PolarHBondContact O-N 3.47Å; F914-T1028 HydrophobicContact CE2-CG2 3.86Å; F914-T1028 HydrophobicContact CZ-CG2 4.35Å |
| 915 | C | 48.5 | Very low | 54.8 | Low | 16 Ų | 16 | 93.5 Ų | 93.5 | 11% | 0.108 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -97.4 | -11.5 | 173.5 | 100.7 | 0 | 0 | 0 | 0 | 116.6 | T913 V917 R918 M919 P1024 L1025 M1026 | T913-C915 PolarHBondContact O-N 2.79Å; C915-V917 PolarHBondContact O-N 2.94Å; C915-R918 HydrophobicContact CB-CB 4.06Å; C915-R918 PolarHBondContact O-N 2.72Å; C915-M919 VanDerWaalsContact O-CB 3.26Å; C915-M919 WeakPolarHBondContact O-CB 3.31Å; C915-M919 WeakPolarHBondContact O-CG 3.1Å; C915-M919 PolarHBondContact O-N 3.5Å; C915-P1024 PolarHBondContact SG-O 3.47Å; C915-L1025 WeakPolarHBondContact CA-O 3.41Å; C915-L1025 VanDerWaalsContact CB-C 3.43Å; C915-L1025 WeakPolarHBondContact CB-O 3.43Å; C915-L1025 PolarHBondContact N-O 3.36Å; C915-L1025 PolarHBondContact SG-O 3.42Å; C915-M1026 WeakPolarHBondContact CA-O 3.14Å; C915-M1026 HydrophobicContact CB-CB 3.82Å; C915-M1026 WeakPolarHBondContact CB-O 3.46Å; C915-M1026 PolarHBondContact N-O 2.96Å; C915-M1026 VanDerWaalsContact N-O 3.07Å |
| 916 | S | 54.3 | Low | 53.1 | Low | 68 Ų | 68 | 99 Ų | 99 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -52.5 | -42.7 | 151.5 | -62.2 | 0 | 0 | 0 | 0 | 108.9 | T912 T913 V920 | T912-S916 VanDerWaalsContact O-CB 3.27Å; T912-S916 WeakPolarHBondContact O-CB 3.36Å; T912-S916 PolarHBondContact O-N 2.96Å; T912-S916 VanDerWaalsContact O-N 3.1Å; T912-S916 PolarHBondContact O-OG 2.75Å; T913-S916 PolarHBondContact O-N 3.02Å; S916-V920 VanDerWaalsContact O-CB 3.22Å; S916-V920 WeakPolarHBondContact O-CB 3.35Å; S916-V920 WeakPolarHBondContact O-CG2 3.5Å; S916-V920 PolarHBondContact O-N 3.2Å; S916-V920 VanDerWaalsContact O-N 3.11Å |
| 917 | V | 52.2 | Low | 51.2 | Low | 55 Ų | 55 | 102.8 Ų | 102.8 | 33% | 0.333 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -77.6 | -36.3 | 177.2 | 170.3 | 0 | 0 | 0 | 0 | 113.2 | T913 F914 C915 V920 R921 | T913-V917 WeakPolarHBondContact O-CB 3.06Å; T913-V917 WeakPolarHBondContact O-CG2 3.41Å; T913-V917 PolarHBondContact O-N 3.36Å; F914-V917 CarbonylContact O-C 3.59Å; F914-V917 WeakPolarHBondContact O-CB 3.25Å; F914-V917 PolarHBondContact O-N 3Å; C915-V917 PolarHBondContact O-N 2.94Å; V917-V920 PolarHBondContact O-N 2.89Å; V917-R921 HydrophobicContact CG1-CG 4.03Å; V917-R921 VanDerWaalsContact O-CB 3.26Å; V917-R921 WeakPolarHBondContact O-CB 3.47Å; V917-R921 WeakPolarHBondContact O-CG 3.2Å; V917-R921 PolarHBondContact O-N 2.83Å |
| 918 | R | 44.1 | Very low | 49.6 | Very low | 138 Ų | 138 | 108.8 Ų | 108.8 | 52% | 0.521 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.1 | -34 | 174.1 | -161.3 | -174.5 | -166.1 | 146.6 | -1 | 114 | F914 C915 V920 T922 M1026 C1027 | F914-R918 PolarHBondContact O-N 3.44Å; C915-R918 HydrophobicContact CB-CB 4.06Å; C915-R918 PolarHBondContact O-N 2.72Å; R918-V920 VanDerWaalsContact C-N 3.34Å; R918-T922 PolarHBondContact O-OG1 2.6Å; R918-T922 VanDerWaalsContact O-OG1 3.07Å; R918-M1026 WeakPolarHBondContact CB-O 3.37Å; R918-M1026 WeakPolarHBondContact CD-O 3.15Å; R918-C1027 HydrophobicContact CB-CB 4.43Å; R918-C1027 WeakPolarHBondContact CB-O 3.47Å; R918-C1027 HydrophobicContact CG-CB 4.34Å; R918-C1027 PolarHBondContact N-O 3.07Å; R918-C1027 PolarHBondContact NH1-SG 2.59Å |
| 919 | M | 42.6 | Very low | 47.9 | Very low | 119 Ų | 119 | 114.7 Ų | 114.7 | 59% | 0.586 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -75.3 | -22.4 | 171 | -69 | -163.8 | -78.2 | 0 | 0 | 112.8 | C915 T922 | C915-M919 VanDerWaalsContact O-CB 3.26Å; C915-M919 WeakPolarHBondContact O-CB 3.31Å; C915-M919 WeakPolarHBondContact O-CG 3.1Å; C915-M919 PolarHBondContact O-N 3.5Å; M919-T922 PolarHBondContact O-OG1 2.69Å |
| 920 | V | 47.9 | Very low | 46.1 | Very low | 67 Ų | 67 | 116.1 Ų | 116.1 | 41% | 0.406 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -89.6 | -34.7 | 174.7 | 171.1 | 0 | 0 | 0 | 0 | 112.6 | S916 V917 R918 T922 R923 R924 | S916-V920 VanDerWaalsContact O-CB 3.22Å; S916-V920 WeakPolarHBondContact O-CB 3.35Å; S916-V920 WeakPolarHBondContact O-CG2 3.5Å; S916-V920 PolarHBondContact O-N 3.2Å; S916-V920 VanDerWaalsContact O-N 3.11Å; V917-V920 PolarHBondContact O-N 2.89Å; R918-V920 VanDerWaalsContact C-N 3.34Å; V920-T922 VanDerWaalsContact C-N 3.28Å; V920-T922 PolarHBondContact O-N 2.95Å; V920-R923 CarbonylContact O-C 3.54Å; V920-R923 WeakPolarHBondContact O-CA 3.35Å; V920-R923 PolarHBondContact O-N 2.82Å; V920-R924 HydrophobicContact CG1-CB 4.24Å; V920-R924 WeakPolarHBondContact O-CB 3.37Å; V920-R924 PolarHBondContact O-N 2.87Å |
| 921 | R | 42.8 | Very low | 44.5 | Very low | 142 Ų | 142 | 118.2 Ų | 118.2 | 54% | 0.536 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.9 | -26.8 | 176.3 | -81.9 | -179.3 | 171 | 151.8 | -5.2 | 112.7 | V917 R923 T1028 | V917-R921 HydrophobicContact CG1-CG 4.03Å; V917-R921 VanDerWaalsContact O-CB 3.26Å; V917-R921 WeakPolarHBondContact O-CB 3.47Å; V917-R921 WeakPolarHBondContact O-CG 3.2Å; V917-R921 PolarHBondContact O-N 2.83Å; R921-R923 VanDerWaalsContact C-N 3.28Å; R921-R923 PolarHBondContact O-N 2.82Å; R921-T1028 PolarHBondContact NH1-O 2.9Å |
| 922 | T | 41.9 | Very low | 43.4 | Very low | 117 Ų | 117 | 118.9 Ų | 118.9 | 72% | 0.718 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -11.5 | 166.9 | 44.5 | 0 | 0 | 0 | 0 | 114.2 | R918 M919 V920 | R918-T922 PolarHBondContact O-OG1 2.6Å; R918-T922 VanDerWaalsContact O-OG1 3.07Å; M919-T922 PolarHBondContact O-OG1 2.69Å; V920-T922 VanDerWaalsContact C-N 3.28Å; V920-T922 PolarHBondContact O-N 2.95Å |
| 923 | R | 39.4 | Very low | 42.1 | Very low | 213 Ų | 213 | 126.1 Ų | 126.1 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | -13.5 | 177.2 | -75.9 | -177.1 | 166.1 | -176.1 | -3.3 | 114.9 | V920 R921 | V920-R923 CarbonylContact O-C 3.54Å; V920-R923 WeakPolarHBondContact O-CA 3.35Å; V920-R923 PolarHBondContact O-N 2.82Å; R921-R923 VanDerWaalsContact C-N 3.28Å; R921-R923 PolarHBondContact O-N 2.82Å |
| 924 | R | 35.6 | Very low | 40.7 | Very low | 188 Ų | 188 | 128.8 Ų | 128.8 | 71% | 0.709 | 65% | 0.651 | S | S | * | * | trans | -116 | 28.7 | -174.5 | -114.3 | 173.6 | -176.5 | 155.9 | 0.8 | 115.7 | V920 R926 | V920-R924 HydrophobicContact CG1-CB 4.24Å; V920-R924 WeakPolarHBondContact O-CB 3.37Å; V920-R924 PolarHBondContact O-N 2.87Å; R924-R926 PolarHBondContact O-N 2.93Å | ||
| 925 | N | 45.5 | Very low | 39.5 | Very low | 167 Ų | 167 | 132.6 Ų | 132.6 | 89% | 0.893 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -70.2 | 40.4 | 150.7 | -112.9 | -4.7 | 0 | 0 | 0 | 111.4 | ||
| 926 | R | 35.5 | Very low | 38.8 | Very low | 211 Ų | 211 | 138 Ų | 138 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -151.5 | 115.7 | -177.6 | -73.5 | -173.8 | 173.6 | -178.1 | -2.7 | 107.8 | R924 | R924-R926 PolarHBondContact O-N 2.93Š|
| 927 | S | 31.4 | Very low | 37.8 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | trans | 76.8 | 162.8 | -176.3 | -152.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 928 | R | 33.5 | Very low | 36.8 | Very low | 229 Ų | 229 | 142.9 Ų | 142.9 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | trans | -146.4 | 156.6 | -152.5 | -88 | 173.3 | 160.2 | 171.1 | -6.5 | 113.7 | ||||
| 929 | K | 32.7 | Very low | 36.1 | Very low | 195 Ų | 195 | 144.9 Ų | 144.9 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | trans | 68.5 | 129.9 | 151.2 | -74.5 | 178.6 | 173 | -169.6 | 0 | 121.7 | ||||
| 930 | S | 33.2 | Very low | 35.3 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | trans | 59.6 | 145.6 | 138.6 | -139.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 931 | G | 34.2 | Very low | 34.4 | Very low | 70 Ų | 70 | 149.5 Ų | 149.5 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | cis | 156 | 119.1 | -16.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 932 | G | 36 | Very low | 33.9 | Very low | 83 Ų | 83 | 149.7 Ų | 149.7 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | 75.3 | 171.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 933 | K | 33.6 | Very low | 33.6 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | cis | -174.7 | 161.5 | -30.7 | -156.9 | -170 | 174.7 | -167.6 | 0 | 110.4 | ||||
| 934 | L | 31.6 | Very low | 33.2 | Very low | 124 Ų | 124 | 146 Ų | 146 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | 97.5 | 133.9 | 151 | -60.3 | 164.5 | 0 | 0 | 0 | 122.2 | ||||
| 935 | H | 34.3 | Very low | 33.2 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 67% | 0.667 | 79% | 0.786 | S | S | * | * | trans | 71.3 | 147.4 | 140.2 | -79.7 | -117.5 | 0 | 0 | 0 | 121.2 | ||||
| 936 | E | 33.4 | Very low | 32.8 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 61% | 0.607 | 78% | 0.782 | S | S | * | * | cis | -171.7 | 168.5 | -20.6 | -146.7 | 177.3 | -156.4 | 0 | 0 | 111.4 | ||||
| 937 | N | 31.7 | Very low | 33 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | 64.4 | 154.3 | 159.1 | -56.6 | -43.8 | 0 | 0 | 0 | 119.1 | ||||
| 938 | G | 31.3 | Very low | 33.2 | Very low | 82 Ų | 82 | 137.9 Ų | 137.9 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | 142.9 | 89.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 939 | Q | 29.3 | Very low | 33.5 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | -58.5 | 158.5 | 175.9 | -83.9 | 173.5 | -29 | 0 | 0 | 118.3 | ||||
| 940 | L | 26.7 | Very low | 33.9 | Very low | 138 Ų | 138 | 129.4 Ų | 129.4 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | trans | 80.1 | 133.4 | 140.6 | -74 | 161.2 | 0 | 0 | 0 | 123.1 | ||||
| 941 | L | 28.3 | Very low | 34 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 75% | 0.754 | 76% | 0.755 | S | S | * | * | trans | 70.2 | 112.3 | 145 | -64.6 | 163.4 | 0 | 0 | 0 | 122.1 | ||||
| 942 | N | 32.6 | Very low | 34.1 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | 32.1 | 156.2 | 115.8 | -82.2 | 11.5 | 0 | 0 | 0 | 122.4 | |||||
| 943 | P | 36.3 | Very low | 34.1 | Very low | 99 Ų | 99 | 132 Ų | 132 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | cis | -143.3 | -177.7 | -19.4 | 40 | -20.5 | 0 | 0 | 0 | 116.1 | ||||
| 944 | L | 30.6 | Very low | 34.1 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | 48.5 | 121.8 | 145.6 | -72.2 | 160.9 | 0 | 0 | 0 | 122.1 | ||||
| 945 | N | 35.3 | Very low | 34.1 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | -175.9 | 158.6 | 109.8 | -93.2 | -27.1 | 0 | 0 | 0 | 114.2 | |||||
| 946 | D | 36.8 | Very low | 34.2 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -113.6 | -163.7 | -177.1 | -146.9 | 10.3 | 0 | 0 | 0 | 108.9 | ||||
| 947 | P | 39.8 | Very low | 34.2 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 62% | 0.623 | 79% | 0.794 | S | S | * | * | cis | -140.3 | 178.3 | -17.6 | 39.1 | -18.9 | 0 | 0 | 0 | 117.8 | ||||
| 948 | S | 35.8 | Very low | 34.3 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 79.9 | 118.5 | 137.2 | 67.6 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 949 | N | 39 | Very low | 34.5 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | 54.9 | 171.5 | 125.2 | -107.2 | -2.8 | 0 | 0 | 0 | 124.3 | |||||
| 950 | P | 41.4 | Very low | 34.8 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 59% | 0.591 | 80% | 0.797 | S | S | * | * | cis | -138.7 | 171.3 | -36.5 | 34.1 | -14.1 | 0 | 0 | 0 | 118.3 | ||||
| 951 | N | 35.5 | Very low | 35.2 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | 72.5 | 127.5 | 144.5 | -73.1 | -24.3 | 0 | 0 | 0 | 127.1 | ||||
| 952 | G | 36 | Very low | 35.5 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | 125.6 | 129.9 | 129.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 953 | G | 36.5 | Very low | 35.4 | Very low | 78 Ų | 78 | 125.1 Ų | 125.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 155.5 | 159.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 954 | K | 34 | Very low | 35.2 | Very low | 198 Ų | 198 | 124.5 Ų | 124.5 | 86% | 0.861 | 82% | 0.821 | S | S | * | * | trans | -157.8 | 142.5 | -177.7 | -94.4 | 177.8 | -177.5 | 167.2 | 0 | 117.8 | ||||
| 955 | R | 32.2 | Very low | 35.2 | Very low | 248 Ų | 248 | 122.7 Ų | 122.7 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | trans | 70.1 | 138.3 | 149.1 | -70.2 | -179.9 | 171.2 | -178 | -3.3 | 123.2 | ||||
| 956 | G | 35 | Very low | 35.1 | Very low | 79 Ų | 79 | 118.5 Ų | 118.5 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | 172.8 | 160.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 957 | S | 34.3 | Very low | 34.8 | Very low | 117 Ų | 117 | 118.7 Ų | 118.7 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -169.6 | 178.8 | -177.1 | 62.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 958 | Q | 34.2 | Very low | 34.4 | Very low | 190 Ų | 190 | 117.7 Ų | 117.7 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | cis | -165.8 | 159.5 | 10.8 | -157.1 | -171.2 | 92.4 | 0 | 0 | 112.6 | ||||
| 959 | G | 35.7 | Very low | 34 | Very low | 70 Ų | 70 | 120.2 Ų | 120.2 | 72% | 0.722 | 84% | 0.843 | S | S | * | * | trans | 90 | 165.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 960 | S | 34.4 | Very low | 33.4 | Very low | 131 Ų | 131 | 122 Ų | 122 | 92% | 0.916 | 85% | 0.849 | S | S | * | * | cis | -170.6 | 149.7 | -15.5 | -175.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 961 | G | 35.7 | Very low | 32.7 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 81% | 0.814 | 86% | 0.862 | S | S | * | * | trans | 106.1 | 150.6 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 962 | G | 33.7 | Very low | 32.2 | Very low | 83 Ų | 83 | 125 Ų | 125 | 86% | 0.856 | 86% | 0.863 | S | S | * | * | trans | 131.5 | 49.3 | 140.8 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 963 | G | 32.1 | Very low | 32 | Very low | 83 Ų | 83 | 123.7 Ų | 123.7 | 86% | 0.856 | 85% | 0.85 | S | S | * | * | trans | 62.8 | 175 | 142.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 964 | G | 31.8 | Very low | 31.6 | Very low | 85 Ų | 85 | 127.6 Ų | 127.6 | 88% | 0.876 | 85% | 0.852 | S | S | * | * | trans | 120.6 | 130.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 965 | A | 31.2 | Very low | 31.4 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 94% | 0.942 | 85% | 0.849 | S | S | * | * | trans | -142.7 | 163.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 966 | G | 32.7 | Very low | 31.6 | Very low | 78 Ų | 78 | 122.3 Ų | 122.3 | 80% | 0.804 | 85% | 0.85 | S | S | * | * | trans | -175.6 | 133.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 967 | T | 29.2 | Very low | 31.4 | Very low | 155 Ų | 155 | 122 Ų | 122 | 95% | 0.951 | 85% | 0.847 | S | S | * | * | trans | -109 | 158.7 | -177.3 | 48.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 968 | G | 31.6 | Very low | 31.3 | Very low | 75 Ų | 75 | 120.7 Ų | 120.7 | 77% | 0.773 | 85% | 0.851 | S | S | * | * | trans | 174.5 | 112.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 969 | N | 28.3 | Very low | 31.2 | Very low | 158 Ų | 158 | 115.1 Ų | 115.1 | 85% | 0.845 | 85% | 0.845 | S | S | * | * | trans | -84.1 | 155.3 | 164.3 | -66.8 | -15.5 | 0 | 0 | 0 | 109.8 | ||||
| 970 | M | 25.7 | Very low | 31 | Very low | 193 Ų | 193 | 117.5 Ų | 117.5 | 95% | 0.951 | 85% | 0.849 | S | S | * | * | -177.2 | 158.3 | 113.8 | -98.8 | 176 | -169.6 | 0 | 0 | 112.6 | |||||
| 971 | E | 28.3 | Very low | 30.8 | Very low | 184 Ų | 184 | 117 Ų | 117 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | trans | -86.2 | 157.9 | 177.3 | -58.1 | 159.7 | 106.2 | 0 | 0 | 111.4 | ||||
| 972 | C | 24.5 | Very low | 30.5 | Very low | 139 Ų | 139 | 118.7 Ų | 118.7 | 94% | 0.939 | 84% | 0.84 | S | S | * | * | -176.4 | 153.5 | 120.6 | -109.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 973 | G | 30.5 | Very low | 30.2 | Very low | 61 Ų | 61 | 118.9 Ų | 118.9 | 63% | 0.629 | 83% | 0.834 | S | S | * | * | trans | -148.5 | 164.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 974 | L | 28 | Very low | 30.3 | Very low | 159 Ų | 159 | 122.4 Ų | 122.4 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | trans | -150.5 | 131.1 | 163 | -88.1 | 112.4 | 0 | 0 | 0 | 106.6 | ||||
| 975 | L | 31.4 | Very low | 29.9 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | 80.8 | 130.4 | 50.6 | -75.5 | 171.7 | 0 | 0 | 0 | 114.2 | |||||
| 976 | L | 34.8 | Very low | 29.9 | Very low | 180 Ų | 180 | 126.2 Ų | 126.2 | 94% | 0.942 | 82% | 0.821 | S | S | * | * | trans | 155.8 | 135.5 | 146.2 | -86.1 | 168.7 | 0 | 0 | 0 | 109 | ||||
| 977 | G | 30.5 | Very low | 29.6 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | cis | 165.4 | 142.8 | -9.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 978 | G | 34.2 | Very low | 29.6 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 92% | 0.918 | 81% | 0.808 | S | S | * | * | trans | 93.5 | 142.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 979 | G | 31.5 | Very low | 29.3 | Very low | 73 Ų | 73 | 130.1 Ų | 130.1 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | cis | 135.7 | 138.4 | 6.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 980 | C | 31.3 | Very low | 29.3 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | cis | -159.9 | 172.2 | 18.4 | -72.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 981 | T | 29.7 | Very low | 29.3 | Very low | 120 Ų | 120 | 123 Ų | 123 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | cis | -169.5 | 161.2 | -18.9 | 28 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 982 | S | 29.9 | Very low | 29.1 | Very low | 115 Ų | 115 | 122.1 Ų | 122.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 64.7 | 148.2 | 156.4 | 56.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 983 | A | 27.8 | Very low | 29.2 | Very low | 86 Ų | 86 | 119.4 Ų | 119.4 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | cis | -167.9 | 177 | -18.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 984 | I | 33.1 | Very low | 29 | Very low | 157 Ų | 157 | 124.9 Ų | 124.9 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | 65.3 | 92.4 | 170.6 | -45.5 | 171 | 0 | 0 | 0 | 113.5 | ||||
| 985 | N | 24.7 | Very low | 29.1 | Very low | 136 Ų | 136 | 123.6 Ų | 123.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | cis | 75.4 | 94 | 15.7 | -161.8 | 31 | 0 | 0 | 0 | 117.2 | ||||
| 986 | T | 31 | Very low | 29.2 | Very low | 143 Ų | 143 | 121.8 Ų | 121.8 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | -144.9 | 99.3 | 155.8 | -14.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 987 | T | 25.7 | Very low | 29.1 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 63% | 0.632 | 77% | 0.765 | S | S | * | * | trans | -79.6 | 149.9 | 175.4 | 47.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 988 | V | 28.3 | Very low | 28.9 | Very low | 140 Ų | 140 | 126.6 Ų | 126.6 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | -130.3 | 118.1 | 149 | -180 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 989 | N | 26.1 | Very low | 28.7 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | trans | -82.2 | 137.1 | 170.5 | -73 | -41.2 | 0 | 0 | 0 | 109.8 | ||||
| 990 | A | 28.1 | Very low | 28.9 | Very low | 99 Ų | 99 | 132 Ų | 132 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -139.3 | 98 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 991 | S | 25.2 | Very low | 28.8 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | -50.4 | 176.3 | 169.6 | -44.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 992 | L | 25.2 | Very low | 28.8 | Very low | 166 Ų | 166 | 132 Ų | 132 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | 80.9 | 144.8 | 165.6 | -54.2 | 152.5 | 0 | 0 | 0 | 115 | ||||
| 993 | S | 26 | Very low | 28.7 | Very low | 82 Ų | 82 | 133.8 Ų | 133.8 | 57% | 0.573 | 75% | 0.751 | S | S | * | * | cis | -170.6 | 152.5 | -15.8 | 47.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 994 | Q | 26.1 | Very low | 28.7 | Very low | 176 Ų | 176 | 135.6 Ų | 135.6 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | 58 | 112.1 | 147.5 | -66.3 | 163.1 | 4.2 | 0 | 0 | 119.9 | ||||
| 995 | L | 30.7 | Very low | 28.3 | Very low | 132 Ų | 132 | 134 Ų | 134 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | 34 | 143.1 | 106 | -82.3 | 171.7 | 0 | 0 | 0 | 119.3 | |||||
| 996 | P | 34 | Very low | 28.4 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | -141.5 | 169.1 | 59 | 39 | -21 | 0 | 0 | 0 | 119.6 | |||||
| 997 | H | 32.2 | Very low | 28.2 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 65% | 0.648 | 76% | 0.764 | S | S | * | * | trans | -54.8 | 163 | 164.9 | -62.8 | -89.8 | 0 | 0 | 0 | 113.9 | ||||
| 998 | Y | 26.6 | Very low | 28.3 | Very low | 215 Ų | 215 | 130.8 Ų | 130.8 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | 178 | 158.6 | 103.1 | -89.4 | -72 | 0 | 0 | 0 | 108.5 | |||||
| 999 | G | 29.5 | Very low | 28.2 | Very low | 46 Ų | 46 | 130.4 Ų | 130.4 | 47% | 0.474 | 77% | 0.772 | S | S | . | * | cis | -167.8 | 157.8 | -11.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1000 | R | 35.6 | Very low | 28.2 | Very low | 230 Ų | 230 | 134 Ų | 134 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | -94.1 | 151.1 | 167.9 | -93 | -178.7 | 169.9 | 177.1 | -4.7 | 109.4 | ||||
| 1001 | P | 28.7 | Very low | 28.1 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | -93.2 | 127.3 | 127 | -12.7 | 30 | 0 | 0 | 0 | 108 | |||||
| 1002 | V | 29.9 | Very low | 28.1 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | cis | 75.9 | 109.7 | 39.4 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1003 | L | 27.8 | Very low | 28.3 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | -160.8 | 150.1 | 121.1 | -102.3 | 167.6 | 0 | 0 | 0 | 111.4 | |||||
| 1004 | T | 28.4 | Very low | 28.4 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | trans | 38.5 | 99.1 | 164.7 | 53 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1005 | S | 24.6 | Very low | 28.6 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | -55 | 140 | 145.9 | 50.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1006 | A | 27.5 | Very low | 29 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -139.9 | 131.2 | 153.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1007 | S | 26.5 | Very low | 28.8 | Very low | 131 Ų | 131 | 134 Ų | 134 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | trans | -78 | 135.4 | 177.4 | 40.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1008 | G | 28 | Very low | 28.7 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -160.8 | 78.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1009 | T | 26.2 | Very low | 28.9 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -72.1 | 143.8 | -176.3 | 47.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1010 | R | 25 | Very low | 28.8 | Very low | 224 Ų | 224 | 129.4 Ų | 129.4 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | 61.5 | 102.7 | 141.5 | -77.4 | -176.6 | 164.5 | 179.5 | -5.6 | 121.4 | ||||
| 1011 | S | 25.5 | Very low | 28.5 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | 36.8 | 126.4 | 112 | 64.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1012 | G | 27.2 | Very low | 28.7 | Very low | 67 Ų | 67 | 124.8 Ų | 124.8 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | trans | 171 | 88.7 | 160 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1013 | T | 28 | Very low | 28.6 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | 25 | 143.5 | 128.8 | 56.2 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1014 | S | 28.3 | Very low | 28.6 | Very low | 98 Ų | 98 | 123 Ų | 123 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | cis | -168.8 | 145.9 | 42 | 52.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1015 | Y | 30.5 | Very low | 28.4 | Very low | 214 Ų | 214 | 121.8 Ų | 121.8 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | trans | 41 | 163.1 | 135.1 | -71 | -87.2 | 0 | 0 | 0 | 123.5 | ||||
| 1016 | P | 39.2 | Very low | 28.3 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | cis | -114.7 | -168.3 | -5.7 | 44.2 | -30.8 | 0 | 0 | 0 | 111.9 | ||||
| 1017 | D | 30.1 | Very low | 28.2 | Very low | 143 Ų | 143 | 116 Ų | 116 | 77% | 0.765 | 70% | 0.697 | S | S | * | * | cis | -155.1 | 173.6 | 16.1 | -140.2 | -33.9 | 0 | 0 | 0 | 114.8 | ||||
| 1018 | S | 30 | Very low | 28.4 | Very low | 106 Ų | 106 | 112.7 Ų | 112.7 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | trans | 56.5 | 85.9 | 157.7 | 66 | 0 | 0 | 0 | 0 | 121 | ||||
| 1019 | G | 29.9 | Very low | 28.5 | Very low | 70 Ų | 70 | 116.3 Ų | 116.3 | 72% | 0.722 | 67% | 0.667 | S | S | * | * | trans | 88.5 | 148.8 | 135.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1020 | T | 29 | Very low | 28.8 | Very low | 128 Ų | 128 | 115.7 Ų | 115.7 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | cis | -162.7 | 153.9 | -14.7 | -11.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1021 | L | 29.1 | Very low | 29 | Very low | 159 Ų | 159 | 108.2 Ų | 108.2 | 83% | 0.832 | 66% | 0.658 | S | S | * | * | trans | 75.5 | 155.7 | 154.6 | -70.1 | 165.5 | 0 | 0 | 0 | 119.4 | ||||
| 1022 | P | 31.5 | Very low | 29 | Very low | 98 Ų | 98 | 108.1 Ų | 108.1 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | -147.9 | -173.8 | -128.7 | 47.7 | -28.3 | 0 | 0 | 0 | 118.9 | |||||
| 1023 | H | 27.5 | Very low | 28.9 | Very low | 168 Ų | 168 | 110.8 Ų | 110.8 | 78% | 0.778 | 66% | 0.656 | S | S | * | * | trans | 23.3 | 164.1 | 142.3 | -80.9 | -67.6 | 0 | 0 | 0 | 124.9 | T912 | T912-H1023 WeakPolarHBondContact CG2-O 3.41Š| ||
| 1024 | P | 28.5 | Very low | 28.8 | Very low | 63 Ų | 63 | 113.7 Ų | 113.7 | 41% | 0.409 | 66% | 0.66 | S | S | . | * | trans | -119.4 | -178.9 | -147.8 | 45.8 | -37.9 | 0 | 0 | 0 | 119 | C915 | C915-P1024 PolarHBondContact SG-O 3.47Š| ||
| 1025 | L | 23.5 | Very low | 28.6 | Very low | 97 Ų | 97 | 114.9 Ų | 114.9 | 51% | 0.508 | 65% | 0.649 | S | S | . | * | trans | 60.2 | 151.8 | 148.2 | -79.4 | 163.1 | 0 | 0 | 0 | 122.1 | L911 C915 | L911-L1025 CarbonylContact O-C 3.59Å; L911-L1025 WeakPolarHBondContact O-CA 3.37Å; C915-L1025 WeakPolarHBondContact CA-O 3.41Å; C915-L1025 VanDerWaalsContact CB-C 3.43Å; C915-L1025 WeakPolarHBondContact CB-O 3.43Å; C915-L1025 PolarHBondContact N-O 3.36Å; C915-L1025 PolarHBondContact SG-O 3.42Å | ||
| 1026 | M | 24.2 | Very low | 28.5 | Very low | 82 Ų | 82 | 108 Ų | 108 | 40% | 0.404 | 63% | 0.631 | S | S | . | * | trans | 62.6 | 105.1 | 134.6 | -78.8 | -71.7 | 155.1 | 0 | 0 | 133.4 | L911 F914 C915 R918 | L911-M1026 PolarHBondContact O-N 2.88Å; F914-M1026 CarbonylContact C-O 3.6Å; F914-M1026 VanDerWaalsContact CD1-C 3.45Å; F914-M1026 HydrophobicContact CE1-CE 4.3Å; F914-M1026 HydrophobicContact CE1-SD 4.02Å; F914-M1026 CarbonylContact O-C 3.55Å; F914-M1026 VanDerWaalsContact O-C 3.3Å; F914-M1026 VanDerWaalsContact O-O 3.05Å; C915-M1026 WeakPolarHBondContact CA-O 3.14Å; C915-M1026 HydrophobicContact CB-CB 3.82Å; C915-M1026 WeakPolarHBondContact CB-O 3.46Å; C915-M1026 PolarHBondContact N-O 2.96Å; C915-M1026 VanDerWaalsContact N-O 3.07Å; R918-M1026 WeakPolarHBondContact CB-O 3.37Å; R918-M1026 WeakPolarHBondContact CD-O 3.15Å | ||
| 1027 | C | 24 | Very low | 27.9 | Very low | 22 Ų | 22 | 108.2 Ų | 108.2 | 15% | 0.149 | 63% | 0.627 | C | S | . | * | trans | 68.1 | 125.4 | 160.1 | -58.2 | 0 | 0 | 0 | 0 | 126 | F914 R918 | F914-C1027 VanDerWaalsContact CD2-N 3.26Å; F914-C1027 VanDerWaalsContact CE1-N 3.28Å; F914-C1027 VanDerWaalsContact CE2-CA 3.44Å; F914-C1027 HydrophobicContact CE2-CB 4.43Å; F914-C1027 VanDerWaalsContact CG-CA 3.42Å; F914-C1027 HydrophobicContact CZ-CB 4.43Å; F914-C1027 CarbonylContact O-C 3.59Å; F914-C1027 PolarHBondContact O-N 3.47Å; R918-C1027 HydrophobicContact CB-CB 4.43Å; R918-C1027 WeakPolarHBondContact CB-O 3.47Å; R918-C1027 HydrophobicContact CG-CB 4.34Å; R918-C1027 PolarHBondContact N-O 3.07Å; R918-C1027 PolarHBondContact NH1-SG 2.59Å | ||
| 1028 | T | 31 | Very low | 27.7 | Very low | 63 Ų | 63 | 109.6 Ų | 109.6 | 39% | 0.387 | 63% | 0.632 | S | S | . | * | cis | -177.8 | 151.7 | 15.7 | 10.6 | 0 | 0 | 0 | 0 | 115.3 | F914 R921 | F914-T1028 HydrophobicContact CE2-CG2 3.86Å; F914-T1028 HydrophobicContact CZ-CG2 4.35Å; R921-T1028 PolarHBondContact NH1-O 2.9Å | ||
| 1029 | E | 30 | Very low | 27.5 | Very low | 156 Ų | 156 | 109.5 Ų | 109.5 | 73% | 0.729 | 63% | 0.631 | S | S | * | * | trans | 41.7 | 170.5 | 133.2 | -87.3 | -179 | -118.8 | 0 | 0 | 125.7 | ||||
| 1030 | P | 33.3 | Very low | 27.3 | Very low | 120 Ų | 120 | 113.3 Ų | 113.3 | 78% | 0.779 | 64% | 0.635 | S | S | * | * | cis | -136.1 | 169.1 | 14.9 | 42.9 | -25.7 | 0 | 0 | 0 | 119.6 | ||||
| 1031 | G | 27.9 | Very low | 27.3 | Very low | 66 Ų | 66 | 113.8 Ų | 113.8 | 68% | 0.68 | 63% | 0.632 | S | S | * | * | trans | 157.5 | 107.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1032 | S | 26.1 | Very low | 27.2 | Very low | 113 Ų | 113 | 112.4 Ų | 112.4 | 79% | 0.79 | 63% | 0.626 | S | S | * | * | trans | 47.3 | 102.8 | 160.4 | 58.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1033 | N | 24.8 | Very low | 27 | Very low | 124 Ų | 124 | 114 Ų | 114 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | trans | 41.4 | 103.5 | 136.5 | -54 | 4.8 | 0 | 0 | 0 | 121.6 | ||||
| 1034 | Q | 26.2 | Very low | 27.1 | Very low | 194 Ų | 194 | 114.8 Ų | 114.8 | 91% | 0.907 | 64% | 0.635 | S | S | * | * | -175.1 | 176.6 | 128.7 | -101.8 | 164.4 | 16 | 0 | 0 | 112.1 | |||||
| 1035 | R | 24.1 | Very low | 26.9 | Very low | 122 Ų | 122 | 114.5 Ų | 114.5 | 46% | 0.46 | 63% | 0.634 | S | S | . | * | trans | -111.6 | 178 | -169.3 | -78.3 | -179.3 | 168.7 | 177.8 | 2.1 | 112.4 | D1488 | R1035-D1488 WeakPolarHBondContact CD-OD2 3.37Å; R1035-D1488 IonicContact CZ-OD2 3.5Å; R1035-D1488 IonicContact NE-OD2 2.74Å; R1035-D1488 PolarHBondContact NE-OD2 3.35Å; R1035-D1488 PolarHBondContact NH2-O 3.47Å | ||
| 1036 | P | 29 | Very low | 27 | Very low | 70 Ų | 70 | 121.7 Ų | 121.7 | 46% | 0.455 | 65% | 0.654 | S | S | . | * | cis | -138.9 | -166.4 | -47.7 | 40.9 | -23.1 | 0 | 0 | 0 | 113.7 | E1461 | P1036-E1461 HydrophobicContact CG-CG 4.2Å; P1036-E1461 WeakPolarHBondContact CG-OE1 3.15Å | ||
| 1037 | N | 26.8 | Very low | 26.9 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 58% | 0.583 | 67% | 0.673 | S | S | * | * | trans | 48.9 | 123.9 | 150.3 | -63.2 | -13.9 | 0 | 0 | 0 | 122.8 | ||||
| 1038 | I | 25 | Very low | 27 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 88% | 0.877 | 70% | 0.704 | S | S | * | * | trans | -143.8 | 126.4 | 157.6 | -60.6 | 179.1 | 0 | 0 | 0 | 110.5 | ||||
| 1039 | S | 25.6 | Very low | 26.6 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -166.4 | 138 | 150.1 | 55.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1040 | L | 26.3 | Very low | 26.5 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | trans | 72.5 | 97.9 | 152.2 | -65.8 | 163 | 0 | 0 | 0 | 121.6 | ||||
| 1041 | N | 28.4 | Very low | 26.2 | Very low | 138 Ų | 138 | 133.5 Ų | 133.5 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | 68.6 | 91.5 | 125 | -62.8 | 22.8 | 0 | 0 | 0 | 121.8 | |||||
| 1042 | D | 26.6 | Very low | 26.2 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | 33.7 | 95.5 | 127.8 | -75.2 | -68.7 | 0 | 0 | 0 | 120.3 | |||||
| 1043 | T | 28.3 | Very low | 26.2 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 80% | 0.798 | 72% | 0.715 | S | S | * | * | trans | -117.5 | 118.4 | 133.9 | 45.7 | 0 | 0 | 0 | 0 | 108.6 | C1045 | T1043-C1045 PolarHBondContact O-N 3.34Š| ||
| 1044 | K | 29 | Very low | 26.1 | Very low | 185 Ų | 185 | 138 Ų | 138 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | -81 | 91.5 | -168.6 | -82.9 | -176.5 | 175.7 | 172.2 | 0 | 113.5 | ||||
| 1045 | C | 25.6 | Very low | 26.2 | Very low | 57 Ų | 57 | 139.5 Ų | 139.5 | 39% | 0.385 | 71% | 0.71 | S | S | . | * | trans | -70.7 | 150.6 | 164.9 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | T1043 | T1043-C1045 PolarHBondContact O-N 3.34Š| ||
| 1046 | W | 24.4 | Very low | 26.3 | Very low | 248 Ų | 248 | 136.8 Ų | 136.8 | 94% | 0.939 | 72% | 0.72 | S | S | * | * | trans | -87.4 | 142.6 | 164.5 | -77.4 | 66.6 | 0 | 0 | 0 | 110 | ||||
| 1047 | W | 22.5 | Very low | 26.2 | Very low | 209 Ų | 209 | 142.2 Ų | 142.2 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | trans | -129.5 | 140.2 | -178.8 | -56.1 | 81 | 0 | 0 | 0 | 111.1 | I1049 | W1047-I1049 HydrophobicContact CB-CG1 4.33Š| ||
| 1048 | P | 25.1 | Very low | 26.2 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | -89.2 | 116.3 | 148.8 | -2.3 | 21.9 | 0 | 0 | 0 | 109.1 | ||||
| 1049 | I | 24.3 | Very low | 26.5 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 55% | 0.549 | 75% | 0.745 | S | S | . | * | trans | -90.1 | 118.3 | 178.4 | -60.2 | 170.2 | 0 | 0 | 0 | 109.8 | W1047 | W1047-I1049 HydrophobicContact CB-CG1 4.33Š| ||
| 1050 | T | 27.9 | Very low | 26.5 | Very low | 115 Ų | 115 | 142 Ų | 142 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | -133.7 | 83.6 | 160.7 | 49.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 1051 | D | 26.4 | Very low | 26.5 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | trans | -85.6 | 161.3 | 169.4 | -95.4 | -48.4 | 0 | 0 | 0 | 112.3 | ||||
| 1052 | N | 27.2 | Very low | 26.4 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | trans | 67.9 | 99.3 | 164.6 | -60.2 | -33.5 | 0 | 0 | 0 | 119 | ||||
| 1053 | A | 26.1 | Very low | 26.4 | Very low | 94 Ų | 94 | 143.7 Ų | 143.7 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | trans | -157.1 | 103 | 132.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1054 | Y | 23.4 | Very low | 26.3 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 58% | 0.576 | 74% | 0.743 | S | S | * | * | trans | -158.6 | 152.8 | 163.8 | -117.2 | -83.7 | 0 | 0 | 0 | 109.3 | A1498 | Y1054-A1498 WeakPolarHBondContact OH-CB 3.13Å; Y1054-A1498 PolarHBondContact OH-N 3.43Å; Y1054-A1498 VanDerWaalsContact OH-N 3.14Å | ||
| 1055 | Y | 28.4 | Very low | 26.2 | Very low | 227 Ų | 227 | 141.4 Ų | 141.4 | 89% | 0.89 | 74% | 0.741 | S | S | * | * | trans | 67.4 | 145.7 | -160.4 | -61.5 | -88.2 | 0 | 0 | 0 | 114.4 | ||||
| 1056 | G | 25.9 | Very low | 26.4 | Very low | 65 Ų | 65 | 145.8 Ų | 145.8 | 67% | 0.67 | 76% | 0.756 | S | S | * | * | cis | 155.6 | 109.2 | -11.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1057 | Q | 26.1 | Very low | 26.5 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | 67.8 | 142.4 | 160.3 | -85 | -177.8 | -24.3 | 0 | 0 | 121.1 | ||||
| 1058 | N | 27.8 | Very low | 26.8 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | trans | 91.4 | 148.4 | 155.3 | -58.3 | -15 | 0 | 0 | 0 | 120.8 | ||||
| 1059 | D | 30.6 | Very low | 27 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | 60.1 | 75.1 | 169.8 | -62.7 | -2.4 | 0 | 0 | 0 | 120.8 | ||||
| 1060 | A | 26.3 | Very low | 27.3 | Very low | 85 Ų | 85 | 131.5 Ų | 131.5 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | 64.8 | 136.9 | 101.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1061 | Q | 26.8 | Very low | 27.5 | Very low | 184 Ų | 184 | 130.1 Ų | 130.1 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | 68 | 112 | 149.4 | -70.8 | -177.7 | 2.2 | 0 | 0 | 120.7 | ||||
| 1062 | A | 25.5 | Very low | 27.5 | Very low | 88 Ų | 88 | 127.2 Ų | 127.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | 68.9 | 154.7 | 129 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1063 | K | 26.4 | Very low | 28 | Very low | 182 Ų | 182 | 125.6 Ų | 125.6 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | cis | -151.9 | 137.4 | -16.1 | -114.8 | 172 | -178.3 | 177.9 | 0 | 105.5 | ||||
| 1064 | L | 25.7 | Very low | 28.3 | Very low | 122 Ų | 122 | 129 Ų | 129 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | 53.8 | 105.4 | 97.6 | -157.2 | -177 | 0 | 0 | 0 | 113.3 | Q1066 | L1064-Q1066 HydrophobicContact CD2-CG 4.48Š| |||
| 1065 | L | 28.9 | Very low | 28.4 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | 164 | 104.2 | 146.2 | -87.7 | 165.9 | 0 | 0 | 0 | 106.6 | ||||
| 1066 | Q | 27.9 | Very low | 28.5 | Very low | 150 Ų | 150 | 121.7 Ų | 121.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | 81 | 111.1 | 69.2 | -77.4 | -172.6 | -4.9 | 0 | 0 | 115.4 | L1064 | L1064-Q1066 HydrophobicContact CD2-CG 4.48Š| |||
| 1067 | S | 27.6 | Very low | 28.7 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 70.1 | 170.7 | 137.2 | 81.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1068 | A | 29.3 | Very low | 29 | Very low | 91 Ų | 91 | 123.8 Ų | 123.8 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | cis | -151.2 | 147.7 | 1.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1069 | G | 29.4 | Very low | 29.2 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | trans | 69.3 | -178.7 | 149.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1070 | A | 29.7 | Very low | 29.4 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | cis | -163.8 | 153.6 | -17.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1071 | G | 31.2 | Very low | 29.5 | Very low | 86 Ų | 86 | 125.8 Ų | 125.8 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | 80.3 | 140.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1072 | G | 28.2 | Very low | 29.6 | Very low | 73 Ų | 73 | 121.9 Ų | 121.9 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | cis | 158 | 144.3 | 1.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1073 | P | 36.9 | Very low | 29.8 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | trans | -107.2 | 155.2 | -165.2 | 39.4 | -33.8 | 0 | 0 | 0 | 115.1 | ||||
| 1074 | I | 31.9 | Very low | 30 | Very low | 165 Ų | 165 | 122.6 Ų | 122.6 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -147.7 | 108.1 | 157 | -49.9 | -179.3 | 0 | 0 | 0 | 104.9 | ||||
| 1075 | D | 26.9 | Very low | 30.3 | Very low | 158 Ų | 158 | 119.6 Ų | 119.6 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | 63.4 | 131.9 | 77.2 | -86.5 | -30.1 | 0 | 0 | 0 | 115.8 | |||||
| 1076 | G | 30.3 | Very low | 30.2 | Very low | 63 Ų | 63 | 119.3 Ų | 119.3 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | trans | 158 | 93.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1077 | F | 30.4 | Very low | 30.5 | Very low | 211 Ų | 211 | 120 Ų | 120 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | trans | 21.9 | 143.4 | 137.5 | -55.2 | -77.5 | 0 | 0 | 0 | 121.6 | ||||
| 1078 | A | 31.5 | Very low | 30.4 | Very low | 82 Ų | 82 | 120.8 Ų | 120.8 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | cis | -169.3 | 157 | -9.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1079 | N | 32.8 | Very low | 30.6 | Very low | 164 Ų | 164 | 120.1 Ų | 120.1 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | -70.9 | 151.2 | 155.5 | -89 | -7.8 | 0 | 0 | 0 | 110.1 | ||||
| 1080 | P | 33.2 | Very low | 30.6 | Very low | 105 Ų | 105 | 125 Ų | 125 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | -143.9 | 144.1 | 123.5 | 19.5 | 2.2 | 0 | 0 | 0 | 115.7 | |||||
| 1081 | L | 29.5 | Very low | 30.9 | Very low | 153 Ų | 153 | 124.6 Ų | 124.6 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | 65.5 | 143.5 | 134.6 | -59.3 | 174.5 | 0 | 0 | 0 | 120.6 | ||||
| 1082 | T | 29 | Very low | 30.8 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | cis | -168.5 | 177.7 | -28.2 | 20.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1083 | D | 29.7 | Very low | 30.9 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 66% | 0.658 | 75% | 0.754 | S | S | * | * | trans | 95.2 | 121.5 | 138.3 | -69.1 | -37 | 0 | 0 | 0 | 122 | ||||
| 1084 | I | 30.1 | Very low | 30.6 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | 53.5 | 130 | 125.9 | -53.1 | 165.3 | 0 | 0 | 0 | 117.9 | |||||
| 1085 | G | 32.1 | Very low | 30.5 | Very low | 59 Ų | 59 | 130.3 Ų | 130.3 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | cis | -164.8 | 154.2 | 0.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1086 | D | 27.4 | Very low | 30.7 | Very low | 139 Ų | 139 | 132 Ų | 132 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | 67.1 | 106.9 | 65.9 | -157.7 | 6.3 | 0 | 0 | 0 | 113.7 | N1088 | D1086-N1088 PolarHBondContact OD1-ND2 3.41Š| |||
| 1087 | L | 32.7 | Very low | 30.5 | Very low | 165 Ų | 165 | 134 Ų | 134 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | trans | 164.4 | 85.6 | 170.8 | -96.9 | 166.2 | 0 | 0 | 0 | 106.7 | ||||
| 1088 | N | 27.3 | Very low | 30.4 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | 49.5 | 109.8 | 70.4 | -73.2 | -56.1 | 0 | 0 | 0 | 113.6 | D1086 | D1086-N1088 PolarHBondContact OD1-ND2 3.41Š| |||
| 1089 | G | 31.8 | Very low | 30.3 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | trans | -152.1 | 3.2 | -167.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1090 | H | 30.4 | Very low | 30 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | trans | 56.4 | 156.1 | 165.9 | -89.9 | -91.9 | 0 | 0 | 0 | 122 | ||||
| 1091 | P | 34.9 | Very low | 30.1 | Very low | 95 Ų | 95 | 133 Ų | 133 | 62% | 0.617 | 75% | 0.746 | S | S | * | * | trans | -110.5 | 170.2 | -173.3 | 42 | -34 | 0 | 0 | 0 | 115.2 | ||||
| 1092 | Y | 30.8 | Very low | 30 | Very low | 230 Ų | 230 | 130.8 Ų | 130.8 | 90% | 0.902 | 74% | 0.744 | S | S | * | * | trans | -141.4 | 159.4 | 160.6 | -92.6 | -100.4 | 0 | 0 | 0 | 110 | ||||
| 1093 | V | 28.9 | Very low | 29.9 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 56% | 0.558 | 75% | 0.753 | S | S | * | * | cis | 178.8 | 146.1 | -47.2 | 133.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1094 | H | 31.3 | Very low | 29.7 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | 66.1 | 152.7 | 178.6 | -57.2 | -44.8 | 0 | 0 | 0 | 117 | ||||
| 1095 | G | 28.9 | Very low | 29.6 | Very low | 58 Ų | 58 | 131.4 Ų | 131.4 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | cis | 169.3 | 174.3 | -7.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1096 | H | 32.5 | Very low | 29.3 | Very low | 192 Ų | 192 | 134.9 Ų | 134.9 | 89% | 0.889 | 76% | 0.755 | S | S | * | * | trans | 70.9 | 123.6 | 178.8 | -55.2 | -91.5 | 0 | 0 | 0 | 115.9 | ||||
| 1097 | S | 26.1 | Very low | 29.3 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | cis | 105.8 | 149.3 | 9.5 | -162.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1098 | M | 28.5 | Very low | 28.9 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 80% | 0.803 | 75% | 0.751 | S | S | * | * | trans | 81.5 | 138.9 | 173.1 | -57.4 | -174.8 | 166.8 | 0 | 0 | 117.7 | ||||
| 1099 | M | 28.8 | Very low | 28.9 | Very low | 166 Ų | 166 | 131.2 Ų | 131.2 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | cis | -159.8 | 157.8 | -15.5 | -120.6 | 159.7 | 85.5 | 0 | 0 | 113 | ||||
| 1100 | S | 27.2 | Very low | 28.9 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -83.9 | -174.6 | 165 | -135.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1101 | P | 34.6 | Very low | 28.7 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | cis | -154.7 | 164.1 | 31.6 | 43.4 | -20.3 | 0 | 0 | 0 | 122 | ||||
| 1102 | S | 26.9 | Very low | 28.4 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | 34.1 | 133.3 | 133.2 | -48.9 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 1103 | C | 26.5 | Very low | 28.3 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | -178.6 | 152 | 118.7 | -102 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1104 | N | 26.7 | Very low | 28.2 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | cis | 108 | 148.1 | 0.3 | -154.4 | 2.9 | 0 | 0 | 0 | 117.2 | ||||
| 1105 | L | 28.3 | Very low | 28.1 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 71% | 0.707 | 76% | 0.759 | S | S | * | * | trans | 80.3 | 149.1 | 177.6 | -55.3 | 167.9 | 0 | 0 | 0 | 118.3 | ||||
| 1106 | M | 24.9 | Very low | 28.1 | Very low | 132 Ų | 132 | 131 Ų | 131 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | cis | -169.8 | 171.8 | -31.7 | -148.9 | -151.5 | -67.9 | 0 | 0 | 111.2 | ||||
| 1107 | F | 27.5 | Very low | 27.9 | Very low | 183 Ų | 183 | 129.1 Ų | 129.1 | 80% | 0.803 | 77% | 0.767 | S | S | * | * | trans | 75.4 | 160.3 | 168.7 | -54.7 | -78 | 0 | 0 | 0 | 119.7 | ||||
| 1108 | S | 24.9 | Very low | 27.9 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | cis | -173.8 | 131.6 | -37.6 | 179.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1109 | A | 26.9 | Very low | 28 | Very low | 69 Ų | 69 | 125.4 Ų | 125.4 | 57% | 0.57 | 76% | 0.763 | S | S | * | * | trans | -23.4 | 157.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1110 | H | 31.1 | Very low | 27.9 | Very low | 196 Ų | 196 | 122 Ų | 122 | 91% | 0.907 | 76% | 0.755 | S | S | * | * | -156.7 | 169.8 | 129.8 | -122.2 | -92.8 | 0 | 0 | 0 | 114.2 | |||||
| 1111 | K | 26.5 | Very low | 28 | Very low | 208 Ų | 208 | 123.4 Ų | 123.4 | 90% | 0.904 | 76% | 0.759 | S | S | * | * | trans | -118.1 | 157.8 | -163.1 | -63.2 | 176.6 | 173.8 | -179.8 | 0 | 116.3 | ||||
| 1112 | G | 29.4 | Very low | 27.6 | Very low | 62 Ų | 62 | 125.2 Ų | 125.2 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | trans | 160.4 | 108.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1113 | T | 27.7 | Very low | 27.5 | Very low | 140 Ų | 140 | 124.4 Ų | 124.4 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | 55 | 129.1 | 88.2 | 60.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1114 | S | 27.8 | Very low | 27.5 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | cis | -171.7 | -165 | -11.1 | 46.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1115 | T | 29.2 | Very low | 27.4 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | cis | -169.3 | 146.6 | 17.6 | -23.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1116 | G | 28.4 | Very low | 27.3 | Very low | 73 Ų | 73 | 125.4 Ų | 125.4 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | 84.7 | 158 | 158.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1117 | V | 28.3 | Very low | 27.3 | Very low | 152 Ų | 152 | 123.5 Ų | 123.5 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | cis | -144.7 | 156.2 | -1.7 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1118 | A | 26.6 | Very low | 27.2 | Very low | 78 Ų | 78 | 123.3 Ų | 123.3 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | trans | -64.5 | 162.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1119 | S | 29.7 | Very low | 27.3 | Very low | 113 Ų | 113 | 123.8 Ų | 123.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | -169.5 | 145.3 | 72.6 | -55 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1120 | S | 27.5 | Very low | 27.2 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | cis | 97.1 | 108.2 | 16.8 | 81.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1121 | T | 28.7 | Very low | 26.9 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | -169.9 | 99.6 | 155.9 | -68.5 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1122 | I | 26.8 | Very low | 26.8 | Very low | 149 Ų | 149 | 123 Ų | 123 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | 59.9 | 104.4 | 85.2 | -56.5 | 165.3 | 0 | 0 | 0 | 110.8 | |||||
| 1123 | A | 23.6 | Very low | 26.6 | Very low | 90 Ų | 90 | 125.9 Ų | 125.9 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | cis | 86.5 | 116.8 | 35.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1124 | T | 27.5 | Very low | 26.4 | Very low | 149 Ų | 149 | 123 Ų | 123 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | trans | -148 | 149.2 | 164.6 | 19.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1125 | T | 23.6 | Very low | 26.3 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | trans | -125.6 | 149.1 | -171.1 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1126 | T | 26.5 | Very low | 26.1 | Very low | 139 Ų | 139 | 120.9 Ų | 120.9 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | -167 | 139.1 | 146.4 | 17.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1127 | S | 25.9 | Very low | 26 | Very low | 92 Ų | 92 | 118.9 Ų | 118.9 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | trans | 50.3 | 109.4 | 146.4 | 64.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1128 | E | 24.7 | Very low | 25.9 | Very low | 179 Ų | 179 | 111.9 Ų | 111.9 | 84% | 0.836 | 70% | 0.698 | S | S | * | * | 58.1 | 112.5 | 118.9 | -63.4 | 171.5 | -171.4 | 0 | 0 | 121.3 | |||||
| 1129 | S | 26.6 | Very low | 26 | Very low | 115 Ų | 115 | 109.1 Ų | 109.1 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | -160.4 | 137.7 | 116.8 | 35.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1130 | H | 24.5 | Very low | 25.8 | Very low | 186 Ų | 186 | 106.9 Ų | 106.9 | 86% | 0.861 | 65% | 0.653 | S | S | * | * | trans | -81.9 | 126.6 | -179.6 | -69.8 | -96.9 | 0 | 0 | 0 | 111.3 | ||||
| 1131 | L | 25.2 | Very low | 25.7 | Very low | 131 Ų | 131 | 104.7 Ų | 104.7 | 69% | 0.686 | 63% | 0.634 | S | S | * | * | trans | -127.3 | 130.1 | 161.8 | -79 | 161.6 | 0 | 0 | 0 | 109.5 | P1313 | L1131-P1313 HydrophobicContact CD1-CG 3.48Å; L1131-P1313 VanDerWaalsContact CD1-CG 3.48Å; L1131-P1313 HydrophobicContact CD2-CG 4.02Å; L1131-P1313 HydrophobicContact CG-CG 4.4Å | ||
| 1132 | V | 25 | Very low | 25.6 | Very low | 141 Ų | 141 | 103.9 Ų | 103.9 | 86% | 0.855 | 63% | 0.633 | S | S | * | * | trans | -74.5 | 134.2 | -170.6 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | A1134 | V1132-A1134 PolarHBondContact O-N 2.73Š| ||
| 1133 | S | 23.9 | Very low | 25.5 | Very low | 121 Ų | 121 | 101.5 Ų | 101.5 | 85% | 0.846 | 62% | 0.615 | S | S | * | * | trans | -62.7 | 104.7 | 177.3 | -47.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1134 | A | 25.3 | Very low | 25.5 | Very low | 81 Ų | 81 | 101.8 Ų | 101.8 | 67% | 0.669 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 142.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V1132 | V1132-A1134 PolarHBondContact O-N 2.73Š|
| 1135 | P | 24.6 | Very low | 25.4 | Very low | 110 Ų | 110 | 103.7 Ų | 103.7 | 71% | 0.714 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 155.7 | 172.9 | 29.8 | -35.3 | 0 | 0 | 0 | 110.7 | ||
| 1136 | P | 25.6 | Very low | 25.4 | Very low | 81 Ų | 81 | 106.7 Ų | 106.7 | 53% | 0.526 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -58.9 | 128 | -173.9 | 22.1 | -33 | 0 | 0 | 0 | 111.6 | I750 | I750-P1136 HydrophobicContact CB-CB 4.26Å; I750-P1136 HydrophobicContact CD1-CB 3.74Å; I750-P1136 HydrophobicContact CD1-CG 4.23Å; I750-P1136 HydrophobicContact CG1-CB 4.25Å |
| 1137 | P | 26.5 | Very low | 25.3 | Very low | 32 Ų | 32 | 105.8 Ų | 105.8 | 21% | 0.208 | 61% | 0.61 | C | S | . | * | P | Polyproline II helix | trans | -61.4 | 154.6 | 176.4 | -19.5 | 31.5 | 0 | 0 | 0 | 111.4 | Y748 K749 I750 W1292 | Y748-P1137 VanDerWaalsContact CA-CB 3.49Å; Y748-P1137 VanDerWaalsContact CB-CB 3.46Å; Y748-P1137 HydrophobicContact CD1-CB 3.69Å; Y748-P1137 HydrophobicContact CD2-CB 3.65Å; Y748-P1137 HydrophobicContact CD2-CG 4.47Å; Y748-P1137 HydrophobicContact CE1-CB 4.31Å; Y748-P1137 HydrophobicContact CE2-CB 4.27Å; Y748-P1137 HydrophobicContact CG-CB 3.32Å; K749-P1137 CarbonylContact C-O 3.57Å; K749-P1137 VanDerWaalsContact C-O 3.23Å; K749-P1137 VanDerWaalsContact CA-O 3.22Å; K749-P1137 WeakPolarHBondContact CA-O 3.37Å; K749-P1137 PolarHBondContact N-O 3.35Å; I750-P1137 PolarHBondContact N-O 3.36Å; P1137-W1292 HydrophobicContact CG-CZ3 4.22Å |
| 1138 | T | 25.8 | Very low | 25.2 | Very low | 4 Ų | 4 | 104.8 Ų | 104.8 | 3% | 0.025 | 62% | 0.615 | C | S | . | * | P | Polyproline II helix | trans | -97.4 | 131.8 | 176.1 | 67.3 | 0 | 0 | 0 | 0 | 121.2 | V743 K745 Y748 K749 I750 S752 | V743-T1138 WeakPolarHBondContact O-CB 3.41Å; V743-T1138 WeakPolarHBondContact O-CG2 3.49Å; K745-T1138 WeakPolarHBondContact CB-OG1 3.48Å; K745-T1138 VanDerWaalsContact CG-OG1 3.29Å; K745-T1138 WeakPolarHBondContact CG-OG1 3.41Å; K745-T1138 PolarHBondContact N-O 3.16Å; K745-T1138 VanDerWaalsContact N-O 3.14Å; K745-T1138 PolarHBondContact N-OG1 2.89Å; Y748-T1138 CarbonylContact C-O 3.53Å; Y748-T1138 WeakPolarHBondContact CA-O 3.49Å; Y748-T1138 VanDerWaalsContact CB-N 3.33Å; Y748-T1138 WeakPolarHBondContact CB-O 3.29Å; K749-T1138 PolarHBondContact N-O 2.8Å; I750-T1138 VanDerWaalsContact C-CA 3.48Å; I750-T1138 WeakPolarHBondContact O-CA 3.39Å; I750-T1138 WeakPolarHBondContact O-CB 3.31Å; I750-T1138 WeakPolarHBondContact O-CG2 3.44Å; I750-T1138 PolarHBondContact O-N 3.11Å; S752-T1138 VanDerWaalsContact OG-CG2 3.22Å; S752-T1138 WeakPolarHBondContact OG-CG2 3.26Å |
| 1139 | P | 28.6 | Very low | 25.2 | Very low | 21 Ų | 21 | 102.9 Ų | 102.9 | 14% | 0.136 | 62% | 0.615 | C | S | . | * | P | Polyproline II helix | trans | -78.5 | 134.1 | -165.3 | 31.1 | -24.7 | 0 | 0 | 0 | 115.4 | K744 Y748 K749 L1214 | K744-P1139 WeakPolarHBondContact CB-O 3.22Å; K744-P1139 WeakPolarHBondContact CD-O 3.47Å; K744-P1139 WeakPolarHBondContact CE-O 3.49Å; K744-P1139 WeakPolarHBondContact CG-O 3.41Å; Y748-P1139 WeakPolarHBondContact O-CA 3.11Å; K749-P1139 WeakPolarHBondContact O-CD 3.29Å; K749-P1139 WeakPolarHBondContact O-CG 3.48Å; P1139-L1214 HydrophobicContact CB-CD2 4.49Å; P1139-L1214 HydrophobicContact CG-CD2 4.05Å |
| 1140 | L | 25.9 | Very low | 25.1 | Very low | 66 Ų | 66 | 102.4 Ų | 102.4 | 35% | 0.346 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -78.2 | 159 | -178.2 | -161.4 | 56.6 | 0 | 0 | 0 | 114.9 | K744 K745 P746 F867 | K744-L1140 VanDerWaalsContact CE-O 3.31Å; K744-L1140 WeakPolarHBondContact CE-O 2.95Å; K744-L1140 WeakPolarHBondContact O-CD1 3.34Å; K745-L1140 VanDerWaalsContact O-CB 3.31Å; K745-L1140 WeakPolarHBondContact O-CB 3.04Å; K745-L1140 PolarHBondContact O-N 3.37Å; P746-L1140 HydrophobicContact CB-CD2 3.93Å; P746-L1140 HydrophobicContact CG-CD1 4.41Å; P746-L1140 HydrophobicContact CG-CD2 3.89Å; F867-L1140 HydrophobicContact CE2-CD1 4.03Å; F867-L1140 HydrophobicContact CE2-CD2 4.39Å |
| 1141 | D | 25 | Very low | 25.1 | Very low | 49 Ų | 49 | 98.8 Ų | 98.8 | 26% | 0.262 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -95.4 | 151.4 | 175.1 | -151 | -92.9 | 0 | 0 | 0 | 114.9 | K744 E849 R1143 | K744-D1141 HydrophobicContact CD-CB 3.91Å; K744-D1141 HydrophobicContact CG-CB 4.41Å; K744-D1141 IonicContact NZ-OD2 2.67Å; K744-D1141 PolarHBondContact NZ-OD2 3.42Å; E849-D1141 HydrophobicContact CB-CB 4.2Å; E849-D1141 VanDerWaalsContact OE2-CB 3.27Å; E849-D1141 WeakPolarHBondContact OE2-CB 3.14Å; D1141-R1143 PolarHBondContact OD1-N 3.07Å |
| 1142 | S | 25.7 | Very low | 25.1 | Very low | 112 Ų | 112 | 94.6 Ų | 94.6 | 78% | 0.783 | 60% | 0.596 | S | S | * | * | trans | -146.5 | 75.9 | 160.8 | 65.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1143 | R | 25.4 | Very low | 25.1 | Very low | 100 Ų | 100 | 91.4 Ų | 91.4 | 38% | 0.377 | 57% | 0.574 | S | S | . | * | 14 | 134.5 | 123.5 | -67.7 | 157.3 | 178.4 | -124.2 | -19.5 | 116.1 | N716 E849 G865 D1141 | N716-R1143 PolarHBondContact ND2-NH1 2.98Å; N716-R1143 VanDerWaalsContact ND2-NH1 3.13Å; N716-R1143 VanDerWaalsContact OD1-CZ 3.31Å; N716-R1143 PolarHBondContact OD1-NH1 3.27Å; N716-R1143 PolarHBondContact OD1-NH2 3.1Å; E849-R1143 IonicContact OE1-CZ 3.75Å; E849-R1143 IonicContact OE1-NE 4Å; E849-R1143 PolarHBondContact OE1-NE 2.92Å; E849-R1143 IonicContact OE1-NH2 2.69Å; E849-R1143 PolarHBondContact OE1-NH2 3.05Å; G865-R1143 PolarHBondContact O-NH2 2.82Å; D1141-R1143 PolarHBondContact OD1-N 3.07Å | |||
| 1144 | S | 24.7 | Very low | 25.2 | Very low | 95 Ų | 95 | 90 Ų | 90 | 66% | 0.664 | 56% | 0.564 | S | S | * | * | cis | -175.2 | 144 | 1.9 | 49.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1145 | H | 24.6 | Very low | 25 | Very low | 189 Ų | 189 | 90 Ų | 90 | 88% | 0.875 | 56% | 0.556 | S | S | * | * | -166.3 | 142.2 | 129.7 | -102.6 | -73.6 | 0 | 0 | 0 | 108.8 | |||||
| 1146 | F | 22.9 | Very low | 25 | Very low | 197 Ų | 197 | 89.5 Ų | 89.5 | 86% | 0.864 | 56% | 0.555 | S | S | * | * | trans | -141.9 | 163.1 | -174.6 | -137.8 | -80.2 | 0 | 0 | 0 | 110.3 | ||||
| 1147 | S | 24.4 | Very low | 24.9 | Very low | 119 Ų | 119 | 91.3 Ų | 91.3 | 83% | 0.832 | 56% | 0.559 | S | S | * | * | trans | 69.9 | 133 | -174.8 | 75.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1148 | G | 24 | Very low | 24.7 | Very low | 72 Ų | 72 | 97.4 Ų | 97.4 | 74% | 0.742 | 58% | 0.579 | S | S | * | * | cis | -173.5 | -171 | -3.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1149 | V | 25.1 | Very low | 24.6 | Very low | 139 Ų | 139 | 102 Ų | 102 | 84% | 0.842 | 61% | 0.612 | S | S | * | * | cis | -145.3 | 172.2 | 1.8 | 170.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1150 | S | 24 | Very low | 24.3 | Very low | 105 Ų | 105 | 111.8 Ų | 111.8 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | trans | -54.6 | 168.9 | 174.4 | 60.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1151 | S | 25.2 | Very low | 24.2 | Very low | 109 Ų | 109 | 113.1 Ų | 113.1 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | cis | -167.7 | 165.7 | 31.8 | 58.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 1152 | G | 24.2 | Very low | 24.2 | Very low | 43 Ų | 43 | 118.4 Ų | 118.4 | 44% | 0.443 | 69% | 0.688 | S | S | . | * | trans | 113.6 | 120.4 | 135.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | N43 | N43-G1152 PolarHBondContact ND2-O 3.15Š| ||
| 1153 | N | 25 | Very low | 24 | Very low | 75 Ų | 75 | 119.8 Ų | 119.8 | 40% | 0.401 | 69% | 0.686 | S | S | . | * | trans | 59.8 | 137.8 | 145.6 | -53.1 | -29.5 | 0 | 0 | 0 | 119.3 | N43 R123 | N43-N1153 PolarHBondContact ND2-O 3.21Å; R123-N1153 PolarHBondContact NH1-ND2 3.15Å | ||
| 1154 | S | 26 | Very low | 24 | Very low | 91 Ų | 91 | 121 Ų | 121 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | cis | -155.1 | 164.3 | 3 | -109.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1155 | T | 22.9 | Very low | 24.1 | Very low | 82 Ų | 82 | 120.1 Ų | 120.1 | 50% | 0.503 | 72% | 0.716 | S | S | . | * | trans | -69.1 | 166.2 | 179.4 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | R630 | R630-T1155 PolarHBondContact NH1-OG1 2.85Å; R630-T1155 PolarHBondContact NH2-OG1 3.25Å; R630-T1155 VanDerWaalsContact NH2-OG1 3.13Å | ||
| 1156 | S | 23.1 | Very low | 24.1 | Very low | 99 Ų | 99 | 115.4 Ų | 115.4 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | trans | 65.8 | 106.8 | 142.8 | 61.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1157 | L | 23.1 | Very low | 24.3 | Very low | 118 Ų | 118 | 110.5 Ų | 110.5 | 62% | 0.618 | 70% | 0.7 | S | S | * | * | 179.9 | 124.3 | 117.5 | -96.1 | 166.8 | 0 | 0 | 0 | 108.4 | Y37 | Y37-L1157 HydrophobicContact CD2-CD1 4.17Å; Y37-L1157 HydrophobicContact CE2-CD1 3.78Å | |||
| 1158 | Y | 23.8 | Very low | 24.3 | Very low | 160 Ų | 160 | 111.1 Ų | 111.1 | 63% | 0.627 | 69% | 0.694 | S | S | * | * | trans | 179.7 | 92.9 | 139.9 | -99.4 | -60.3 | 0 | 0 | 0 | 111.5 | T39 T60 | T39-Y1158 HydrophobicContact CG2-CE2 4.35Å; T60-Y1158 WeakPolarHBondContact CG2-OH 3.48Å; T60-Y1158 PolarHBondContact OG1-OH 3.45Å | ||
| 1159 | S | 22.2 | Very low | 24.4 | Very low | 101 Ų | 101 | 115.7 Ų | 115.7 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -132.1 | 115.2 | 158.7 | 57.2 | 0 | 0 | 0 | 0 | 108.1 | ||
| 1160 | R | 23.4 | Very low | 24.5 | Very low | 226 Ų | 226 | 112.2 Ų | 112.2 | 85% | 0.853 | 69% | 0.686 | S | S | * | * | trans | 63.5 | 118.8 | 177 | -53.1 | 179.2 | 179.2 | -169.6 | -1.8 | 117 | ||||
| 1161 | S | 24.1 | Very low | 24.6 | Very low | 95 Ų | 95 | 112.2 Ų | 112.2 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | 175 | 158.1 | 118.9 | 45.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 1162 | L | 24.7 | Very low | 25 | Very low | 159 Ų | 159 | 112.4 Ų | 112.4 | 83% | 0.832 | 68% | 0.684 | S | S | * | * | trans | 74.2 | 72.7 | 167.9 | -53.8 | -176.7 | 0 | 0 | 0 | 118.9 | ||||
| 1163 | L | 22.2 | Very low | 25.2 | Very low | 142 Ų | 142 | 115.7 Ų | 115.7 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | trans | -72.1 | 173.3 | 142.3 | -101.1 | 167.6 | 0 | 0 | 0 | 111.5 | ||||
| 1164 | S | 24.7 | Very low | 25.2 | Very low | 124 Ų | 124 | 119 Ų | 119 | 87% | 0.867 | 72% | 0.716 | S | S | * | * | trans | 81.4 | 127.9 | 170.4 | 79.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1165 | G | 25.6 | Very low | 25.1 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | trans | -173.9 | 12.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1166 | A | 26.5 | Very low | 25 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | 54.5 | 114.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1167 | S | 25.5 | Very low | 25.1 | Very low | 93 Ų | 93 | 128 Ų | 128 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | 64.1 | 107.8 | 64.8 | 80.7 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1168 | N | 25.6 | Very low | 25.1 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | 151.2 | 148 | 115.5 | -75.4 | -38.4 | 0 | 0 | 0 | 118 | |||||
| 1169 | F | 26 | Very low | 25 | Very low | 169 Ų | 169 | 126.8 Ų | 126.8 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 77.1 | 124.4 | 155.3 | -63.3 | -61 | 0 | 0 | 0 | 123.7 | ||||
| 1170 | G | 25.8 | Very low | 25.1 | Very low | 65 Ų | 65 | 128.3 Ų | 128.3 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | 137 | 90.9 | 128 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1171 | S | 26.8 | Very low | 25.1 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -92.8 | -161.4 | -179.9 | -42.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1172 | P | 34.7 | Very low | 25.2 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | -117.2 | -175.4 | -74.8 | 39.7 | -24.3 | 0 | 0 | 0 | 112.4 | |||||
| 1173 | P | 26.9 | Very low | 25.1 | Very low | 113 Ų | 113 | 125 Ų | 125 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | -158.3 | 147 | 89.6 | 39.8 | -18.6 | 0 | 0 | 0 | 119.7 | |||||
| 1174 | N | 26.8 | Very low | 25.1 | Very low | 144 Ų | 144 | 122 Ų | 122 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | 55.5 | 124.4 | 140.8 | -69.7 | 0.4 | 0 | 0 | 0 | 126.6 | ||||
| 1175 | Q | 23.2 | Very low | 25.2 | Very low | 168 Ų | 168 | 125 Ų | 125 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | 90.6 | 117.3 | 139.4 | -71.8 | -179.9 | 11.1 | 0 | 0 | 122.7 | ||||
| 1176 | M | 21.2 | Very low | 25.1 | Very low | 184 Ų | 184 | 132.5 Ų | 132.5 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | 57.4 | 78.2 | 149.9 | -59.6 | -170.5 | -176.5 | 0 | 0 | 120 | ||||
| 1177 | A | 23.9 | Very low | 25.2 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 90% | 0.901 | 75% | 0.747 | S | S | * | * | trans | -154.5 | 161.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1178 | S | 22.9 | Very low | 25.4 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -97.6 | 154.9 | -179.3 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1179 | N | 23 | Very low | 25.5 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | trans | 63.8 | 164.9 | 158.7 | -63.2 | -6.5 | 0 | 0 | 0 | 118.7 | ||||
| 1180 | V | 23.5 | Very low | 25.7 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | trans | 61.2 | 90.5 | 173.6 | -166.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1181 | N | 24.4 | Very low | 25.9 | Very low | 167 Ų | 167 | 129 Ų | 129 | 89% | 0.893 | 71% | 0.714 | S | S | * | * | trans | -173.3 | 82.5 | 145.2 | -97.2 | -40.5 | 0 | 0 | 0 | 111.3 | ||||
| 1182 | S | 24.4 | Very low | 25.9 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 85% | 0.846 | 71% | 0.705 | S | S | * | * | trans | -147.5 | 49.5 | 175.3 | 63.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1183 | M | 22.7 | Very low | 25.8 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | trans | -133.8 | 157.1 | 173.4 | -65.8 | -177.4 | 80.5 | 0 | 0 | 110 | A1427 | M1183-A1427 HydrophobicContact CE-CB 4.45Š| ||
| 1184 | N | 23.7 | Very low | 26 | Very low | 80 Ų | 80 | 123 Ų | 123 | 43% | 0.428 | 66% | 0.662 | S | S | . | * | S | Bend | trans | 80.8 | 46.3 | 178.4 | -50.6 | -30.6 | 0 | 0 | 0 | 117.7 | Q1422 | N1184-Q1422 VanDerWaalsContact CG-OE1 3.31Å; N1184-Q1422 VanDerWaalsContact OD1-CB 3.28Å; N1184-Q1422 WeakPolarHBondContact OD1-CB 3.43Å; N1184-Q1422 VanDerWaalsContact OD1-CD 3.24Å; N1184-Q1422 PolarHBondContact OD1-OE1 2.84Å |
| 1185 | Q | 25.4 | Very low | 26.5 | Very low | 187 Ų | 187 | 119.5 Ų | 119.5 | 87% | 0.874 | 64% | 0.642 | S | S | * | * | trans | -149 | 51.6 | 155.1 | -133.8 | 170 | 6.3 | 0 | 0 | 113.7 | D1187 | Q1185-D1187 PolarHBondContact O-N 2.82Š| ||
| 1186 | Y | 25.2 | Very low | 27.1 | Very low | 234 Ų | 234 | 114.4 Ų | 114.4 | 92% | 0.918 | 63% | 0.625 | S | S | * | * | trans | -77.8 | 100.5 | 165.5 | -92.6 | -92.6 | 0 | 0 | 0 | 109.3 | ||||
| 1187 | D | 28.8 | Very low | 28 | Very low | 88 Ų | 88 | 109.4 Ų | 109.4 | 47% | 0.471 | 60% | 0.599 | S | S | . | * | trans | -90.9 | 146.4 | -177.6 | -172.9 | 27.9 | 0 | 0 | 0 | 112 | Q1185 S1189 | Q1185-D1187 PolarHBondContact O-N 2.82Å; D1187-S1189 PolarHBondContact O-N 3.37Å; D1187-S1189 WeakPolarHBondContact OD2-CB 3.43Å; D1187-S1189 PolarHBondContact OD2-OG 2.79Å | ||
| 1188 | Q | 27.9 | Very low | 29.1 | Very low | 166 Ų | 166 | 104.9 Ų | 104.9 | 78% | 0.776 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -13.5 | -175.6 | -64.4 | -176.2 | -62.9 | 0 | 0 | 112.9 | N1190 V1191 | Q1188-N1190 VanDerWaalsContact C-N 3.32Å; Q1188-N1190 PolarHBondContact O-N 2.89Å; Q1188-V1191 PolarHBondContact O-N 2.83Å |
| 1189 | S | 29 | Very low | 30.1 | Very low | 43 Ų | 43 | 105.7 Ų | 105.7 | 30% | 0.301 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -54.3 | -41.6 | 173 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | D1187 V1191 L1192 | D1187-S1189 PolarHBondContact O-N 3.37Å; D1187-S1189 WeakPolarHBondContact OD2-CB 3.43Å; D1187-S1189 PolarHBondContact OD2-OG 2.79Å; S1189-V1191 VanDerWaalsContact C-N 3.32Å; S1189-V1191 PolarHBondContact O-N 3.47Å; S1189-L1192 PolarHBondContact O-N 3.16Å |
| 1190 | N | 28.8 | Very low | 31.4 | Very low | 106 Ų | 106 | 104.3 Ų | 104.3 | 57% | 0.567 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.9 | -31.4 | -178.7 | -78.2 | -12.3 | 0 | 0 | 0 | 113.5 | Q1188 L1192 H1193 S1194 | Q1188-N1190 VanDerWaalsContact C-N 3.32Å; Q1188-N1190 PolarHBondContact O-N 2.89Å; N1190-L1192 VanDerWaalsContact C-N 3.34Å; N1190-L1192 PolarHBondContact O-N 2.67Å; N1190-H1193 PolarHBondContact O-N 2.89Å; N1190-S1194 PolarHBondContact O-N 2.86Å |
| 1191 | V | 30 | Very low | 33.5 | Very low | 73 Ų | 73 | 100.7 Ų | 100.7 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | -178.4 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | Q1188 S1189 H1193 I1195 | Q1188-V1191 PolarHBondContact O-N 2.83Å; S1189-V1191 VanDerWaalsContact C-N 3.32Å; S1189-V1191 PolarHBondContact O-N 3.47Å; V1191-H1193 PolarHBondContact O-N 3.22Å; V1191-I1195 HydrophobicContact CG1-CD1 4.43Å; V1191-I1195 VanDerWaalsContact O-CD1 3.29Å; V1191-I1195 WeakPolarHBondContact O-CD1 2.95Å; V1191-I1195 VanDerWaalsContact O-CG1 3.28Å; V1191-I1195 WeakPolarHBondContact O-CG1 3.46Å |
| 1192 | L | 28.3 | Very low | 35.8 | Very low | 102 Ų | 102 | 95.9 Ų | 95.9 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.5 | -16.8 | 174.1 | -86.1 | 153.3 | 0 | 0 | 0 | 113.2 | S1189 N1190 S1196 | S1189-L1192 PolarHBondContact O-N 3.16Å; N1190-L1192 VanDerWaalsContact C-N 3.34Å; N1190-L1192 PolarHBondContact O-N 2.67Å; L1192-S1196 PolarHBondContact O-N 3.38Å |
| 1193 | H | 31 | Very low | 38.5 | Very low | 71 Ų | 71 | 91 Ų | 91 | 33% | 0.329 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -109 | -5.8 | -165.1 | -135.4 | -4.6 | 0 | 0 | 0 | 114.8 | R554 N1190 V1191 S1196 | R554-H1193 VanDerWaalsContact CZ-CE1 3.46Å; R554-H1193 VanDerWaalsContact CZ-ND1 3.28Å; R554-H1193 PolarHBondContact NE-CD2 2.86Å; R554-H1193 PolarHBondContact NE-CE1 2.88Å; R554-H1193 PolarHBondContact NE-NE2 2.93Å; R554-H1193 PolarHBondContact NH1-ND1 2.66Å; R554-H1193 PolarHBondContact NH1-O 2.93Å; R554-H1193 PolarHBondContact NH2-O 3.31Å; N1190-H1193 PolarHBondContact O-N 2.89Å; V1191-H1193 PolarHBondContact O-N 3.22Å; H1193-S1196 PolarHBondContact ND1-OG 3.19Å; H1193-S1196 PolarHBondContact O-OG 2.96Å; H1193-S1196 VanDerWaalsContact O-OG 3.14Å |
| 1194 | S | 32.7 | Very low | 41.2 | Very low | 34 Ų | 34 | 87.2 Ų | 87.2 | 24% | 0.238 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -89 | -37.9 | 157 | 55.3 | 0 | 0 | 0 | 0 | 111 | N1190 S1196 Q1197 | N1190-S1194 PolarHBondContact O-N 2.86Å; S1194-S1196 PolarHBondContact O-N 3.07Å; S1194-Q1197 PolarHBondContact O-N 2.93Å |
| 1195 | I | 36.3 | Very low | 43.9 | Very low | 69 Ų | 69 | 85.3 Ų | 85.3 | 35% | 0.354 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -56.4 | -33.2 | 174.2 | -66 | 171.8 | 0 | 0 | 0 | 111.4 | V1191 Q1197 T1198 | V1191-I1195 HydrophobicContact CG1-CD1 4.43Å; V1191-I1195 VanDerWaalsContact O-CD1 3.29Å; V1191-I1195 WeakPolarHBondContact O-CD1 2.95Å; V1191-I1195 VanDerWaalsContact O-CG1 3.28Å; V1191-I1195 WeakPolarHBondContact O-CG1 3.46Å; I1195-Q1197 PolarHBondContact O-N 2.95Å; I1195-Q1197 VanDerWaalsContact O-N 3.12Å; I1195-T1198 WeakPolarHBondContact O-CB 2.96Å; I1195-T1198 PolarHBondContact O-N 3.06Å; I1195-T1198 PolarHBondContact O-OG1 3.16Å |
| 1196 | S | 36.7 | Very low | 46.5 | Very low | 61 Ų | 61 | 80.2 Ų | 80.2 | 43% | 0.427 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.2 | -12 | 175.9 | 61.2 | 0 | 0 | 0 | 0 | 115.8 | L1192 H1193 S1194 | L1192-S1196 PolarHBondContact O-N 3.38Å; H1193-S1196 PolarHBondContact ND1-OG 3.19Å; H1193-S1196 PolarHBondContact O-OG 2.96Å; H1193-S1196 VanDerWaalsContact O-OG 3.14Å; S1194-S1196 PolarHBondContact O-N 3.07Å |
| 1197 | Q | 39.4 | Very low | 49.1 | Very low | 79 Ų | 79 | 72.2 Ų | 72.2 | 37% | 0.369 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -89.3 | -22.2 | 167.9 | -75.2 | 178.6 | -35.7 | 0 | 0 | 112.2 | S1194 I1195 D1199 | S1194-Q1197 PolarHBondContact O-N 2.93Å; I1195-Q1197 PolarHBondContact O-N 2.95Å; I1195-Q1197 VanDerWaalsContact O-N 3.12Å; Q1197-D1199 VanDerWaalsContact C-N 3.33Å; Q1197-D1199 PolarHBondContact O-N 2.9Å |
| 1198 | T | 47.5 | Very low | 51.7 | Low | 14 Ų | 14 | 69 Ų | 69 | 9% | 0.086 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -75 | -15.9 | -176.4 | 65.7 | 0 | 0 | 0 | 0 | 114.5 | I1195 R1200 M1201 N1202 L1259 | I1195-T1198 WeakPolarHBondContact O-CB 2.96Å; I1195-T1198 PolarHBondContact O-N 3.06Å; I1195-T1198 PolarHBondContact O-OG1 3.16Å; T1198-R1200 VanDerWaalsContact C-N 3.26Å; T1198-R1200 PolarHBondContact O-N 3.44Å; T1198-M1201 CarbonylContact O-C 3.48Å; T1198-M1201 WeakPolarHBondContact O-CA 2.99Å; T1198-M1201 PolarHBondContact O-N 3.4Å; T1198-N1202 PolarHBondContact O-N 3.42Å; T1198-N1202 VanDerWaalsContact O-N 3.07Å; T1198-L1259 HydrophobicContact CG2-CD1 4.15Å |
| 1199 | D | 43.8 | Very low | 54.3 | Low | 119 Ų | 119 | 64.8 Ų | 64.8 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -29.7 | 179 | -86.3 | -31.2 | 0 | 0 | 0 | 113.5 | Q1197 M1201 N1202 | Q1197-D1199 VanDerWaalsContact C-N 3.33Å; Q1197-D1199 PolarHBondContact O-N 2.9Å; D1199-M1201 VanDerWaalsContact C-N 3.34Å; D1199-N1202 PolarHBondContact OD1-ND2 3.2Å; D1199-N1202 VanDerWaalsContact OD1-ND2 3.16Å |
| 1200 | R | 50 | Low | 56.8 | Low | 122 Ų | 122 | 64.7 Ų | 64.7 | 46% | 0.46 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -17.1 | 171.7 | -69.2 | -172.7 | -178.8 | -175 | 1.6 | 113.9 | S562 E581 T1198 | S562-R1200 PolarHBondContact OG-NH2 3.07Å; E581-R1200 IonicContact OE2-CZ 3.58Å; E581-R1200 IonicContact OE2-NE 2.67Å; E581-R1200 PolarHBondContact OE2-NE 3.01Å; E581-R1200 IonicContact OE2-NH2 2.73Å; E581-R1200 PolarHBondContact OE2-NH2 3.25Å; T1198-R1200 VanDerWaalsContact C-N 3.26Å; T1198-R1200 PolarHBondContact O-N 3.44Å |
| 1201 | M | 66.6 | Low | 58.8 | Low | 57 Ų | 57 | 60.7 Ų | 60.7 | 28% | 0.281 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 2.1 | -178.3 | -55.2 | -165.7 | 89.9 | 0 | 0 | 112.7 | T1198 D1199 Y1203 L1273 G1275 V1276 | T1198-M1201 CarbonylContact O-C 3.48Å; T1198-M1201 WeakPolarHBondContact O-CA 2.99Å; T1198-M1201 PolarHBondContact O-N 3.4Å; D1199-M1201 VanDerWaalsContact C-N 3.34Å; M1201-Y1203 PolarHBondContact O-N 3.27Å; M1201-L1273 HydrophobicContact CE-CB 4.03Å; M1201-L1273 HydrophobicContact CE-CD2 3.74Å; M1201-L1273 HydrophobicContact CE-CG 3.61Å; M1201-L1273 WeakPolarHBondContact CE-O 3.13Å; M1201-L1273 HydrophobicContact SD-CD2 3.67Å; M1201-L1273 HydrophobicContact SD-CG 4.22Å; M1201-G1275 CarbonylContact O-C 3.55Å; M1201-G1275 WeakPolarHBondContact O-CA 3.21Å; M1201-V1276 HydrophobicContact CB-CG2 4.22Å; M1201-V1276 PolarHBondContact O-N 2.85Å |
| 1202 | N | 73.9 | Confident | 60.2 | Low | 65 Ų | 65 | 57.9 Ų | 57.9 | 35% | 0.348 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -67.5 | 93.9 | 179.6 | -93.9 | -39.7 | 0 | 0 | 0 | 111.1 | T1198 D1199 V1276 M1278 | T1198-N1202 PolarHBondContact O-N 3.42Å; T1198-N1202 VanDerWaalsContact O-N 3.07Å; D1199-N1202 PolarHBondContact OD1-ND2 3.2Å; D1199-N1202 VanDerWaalsContact OD1-ND2 3.16Å; N1202-V1276 CarbonylContact C-O 3.43Å; N1202-V1276 WeakPolarHBondContact CA-O 3.37Å; N1202-M1278 WeakPolarHBondContact OD1-CB 3.24Å; N1202-M1278 VanDerWaalsContact OD1-CG 3.3Å; N1202-M1278 WeakPolarHBondContact OD1-CG 3.42Å |
| 1203 | Y | 81.3 | Confident | 62 | Low | 20 Ų | 20 | 56.4 Ų | 56.4 | 8% | 0.078 | 29% | 0.294 | C | S | . | . | trans | -84.1 | 131.2 | 178.8 | -174.5 | -86.3 | 0 | 0 | 0 | 110.7 | M1201 R1205 E1207 L1208 A1227 R1228 I1230 V1276 C1277 L1286 | M1201-Y1203 PolarHBondContact O-N 3.27Å; Y1203-R1205 PolarHBondContact O-N 3.35Å; Y1203-E1207 HydrophobicContact CE1-CB 3.93Å; Y1203-E1207 WeakPolarHBondContact OH-CB 3.48Å; Y1203-E1207 PolarHBondContact OH-O 3.33Å; Y1203-E1207 VanDerWaalsContact OH-O 3.06Å; Y1203-L1208 HydrophobicContact CD1-CG 4.1Å; Y1203-L1208 HydrophobicContact CE1-CD2 4.16Å; Y1203-L1208 HydrophobicContact CE1-CG 3.81Å; Y1203-A1227 HydrophobicContact CE1-CB 4.19Å; Y1203-A1227 HydrophobicContact CE2-CB 4.19Å; Y1203-A1227 WeakPolarHBondContact OH-CA 3.42Å; Y1203-A1227 WeakPolarHBondContact OH-CB 3.26Å; Y1203-R1228 WeakPolarHBondContact CE2-O 3.28Å; Y1203-R1228 PolarHBondContact OH-N 3.05Å; Y1203-R1228 PolarHBondContact OH-O 3.29Å; Y1203-I1230 HydrophobicContact CD2-CB 4.17Å; Y1203-I1230 HydrophobicContact CD2-CD1 3.6Å; Y1203-I1230 HydrophobicContact CD2-CG1 3.68Å; Y1203-I1230 HydrophobicContact CE2-CB 3.72Å; Y1203-I1230 HydrophobicContact CE2-CD1 3.86Å; Y1203-I1230 HydrophobicContact CE2-CG1 3.79Å; Y1203-I1230 HydrophobicContact CG-CD1 4.07Å; Y1203-V1276 PolarHBondContact N-O 3.17Å; Y1203-C1277 PolarHBondContact O-SG 3.08Å; Y1203-L1286 HydrophobicContact CD1-CD2 3.55Å; Y1203-L1286 HydrophobicContact CD2-CD2 4.43Å; Y1203-L1286 HydrophobicContact CE1-CD2 4.18Å; Y1203-L1286 HydrophobicContact CG-CD2 3.69Å | ||
| 1204 | P | 78.7 | Confident | 63.6 | Low | 41 Ų | 41 | 56 Ų | 56 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | trans | -70.7 | 126.5 | -174.3 | 26 | -32.8 | 0 | 0 | 0 | 112.5 | C1206 E1207 E1279 | P1204-C1206 PolarHBondContact O-N 3.38Å; P1204-C1206 VanDerWaalsContact O-N 3.15Å; P1204-E1207 HydrophobicContact CB-CG 4.5Å; P1204-E1207 HydrophobicContact CG-CB 4.15Å; P1204-E1207 HydrophobicContact CG-CG 3.92Å; P1204-E1207 VanDerWaalsContact CG-OE1 3.3Å; P1204-E1207 WeakPolarHBondContact CG-OE1 3.32Å; P1204-E1207 PolarHBondContact O-N 3.27Å; P1204-E1279 WeakPolarHBondContact CA-OE1 3.49Å | ||
| 1205 | R | 80.6 | Confident | 64.7 | Low | 40 Ų | 40 | 55.6 Ų | 55.6 | 15% | 0.151 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -60.7 | -29.3 | -176.6 | 171.1 | 169.1 | -74.6 | -175 | -1.7 | 112.8 | Y1203 E1207 L1208 C1277 E1279 Q1280 E1281 P1282 | Y1203-R1205 PolarHBondContact O-N 3.35Å; R1205-E1207 PolarHBondContact O-N 2.92Å; R1205-L1208 PolarHBondContact O-N 3.38Å; R1205-C1277 HydrophobicContact CB-CB 4.49Å; R1205-E1279 PolarHBondContact N-OE1 2.96Å; R1205-Q1280 VanDerWaalsContact CZ-O 3.24Å; R1205-Q1280 PolarHBondContact NH1-O 2.63Å; R1205-Q1280 VanDerWaalsContact NH1-O 3.15Å; R1205-Q1280 PolarHBondContact NH2-O 3.43Å; R1205-E1281 PolarHBondContact NH1-O 2.93Å; R1205-P1282 PolarHBondContact NH2-O 3.08Å |
| 1206 | C | 79.2 | Confident | 65.5 | Low | 81 Ų | 81 | 57.2 Ų | 57.2 | 55% | 0.547 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -71.9 | -11.2 | 178 | 51.8 | 0 | 0 | 0 | 0 | 114.3 | P1204 | P1204-C1206 PolarHBondContact O-N 3.38Å; P1204-C1206 VanDerWaalsContact O-N 3.15Å |
| 1207 | E | 81.6 | Confident | 66.1 | Low | 65 Ų | 65 | 54.9 Ų | 54.9 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -99.8 | 0.9 | 175.1 | -60.6 | -170.9 | -134 | 0 | 0 | 112.9 | Y1203 P1204 R1205 R1228 | Y1203-E1207 HydrophobicContact CE1-CB 3.93Å; Y1203-E1207 WeakPolarHBondContact OH-CB 3.48Å; Y1203-E1207 PolarHBondContact OH-O 3.33Å; Y1203-E1207 VanDerWaalsContact OH-O 3.06Å; P1204-E1207 HydrophobicContact CB-CG 4.5Å; P1204-E1207 HydrophobicContact CG-CB 4.15Å; P1204-E1207 HydrophobicContact CG-CG 3.92Å; P1204-E1207 VanDerWaalsContact CG-OE1 3.3Å; P1204-E1207 WeakPolarHBondContact CG-OE1 3.32Å; P1204-E1207 PolarHBondContact O-N 3.27Å; R1205-E1207 PolarHBondContact O-N 2.92Å; E1207-R1228 HydrophobicContact CB-CB 4.31Å; E1207-R1228 PolarHBondContact O-N 2.94Å |
| 1208 | L | 82.9 | Confident | 66.5 | Low | 21 Ų | 21 | 55.3 Ų | 55.3 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 111.9 | 167.6 | -83.4 | -179.6 | 0 | 0 | 0 | 111.4 | Y1203 R1205 M1210 A1225 R1226 A1227 V1239 V1241 C1277 Y1284 L1286 | Y1203-L1208 HydrophobicContact CD1-CG 4.1Å; Y1203-L1208 HydrophobicContact CE1-CD2 4.16Å; Y1203-L1208 HydrophobicContact CE1-CG 3.81Å; R1205-L1208 PolarHBondContact O-N 3.38Å; L1208-M1210 HydrophobicContact CB-SD 4.49Å; L1208-A1225 HydrophobicContact CD2-CB 3.91Å; L1208-R1226 WeakPolarHBondContact CA-O 3.24Å; L1208-A1227 HydrophobicContact CD2-CB 3.98Å; L1208-V1239 HydrophobicContact CD2-CG2 3.89Å; L1208-V1241 HydrophobicContact CD1-CG1 4.19Å; L1208-V1241 HydrophobicContact CD1-CG2 4.2Å; L1208-V1241 HydrophobicContact CD2-CG2 4.01Å; L1208-C1277 VanDerWaalsContact CD1-SG 3.56Å; L1208-Y1284 HydrophobicContact CD1-CD2 3.72Å; L1208-Y1284 HydrophobicContact CD1-CE2 4.21Å; L1208-L1286 HydrophobicContact CD1-CD1 4.3Å; L1208-L1286 HydrophobicContact CD1-CD2 4.2Å; L1208-L1286 HydrophobicContact CD1-CG 4.38Å; L1208-L1286 HydrophobicContact CD2-CD2 3.81Å; L1208-L1286 HydrophobicContact CD2-CG 4.39Å; L1208-L1286 HydrophobicContact CG-CD2 4.22Å |
| 1209 | Q | 82.6 | Confident | 66.7 | Low | 77 Ų | 77 | 55.3 Ų | 55.3 | 36% | 0.36 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 99.8 | 165.7 | 174.2 | 170.8 | -55.4 | 0 | 0 | 109.8 | E1211 A1225 R1226 | Q1209-E1211 PolarHBondContact NE2-OE1 3.04Å; Q1209-E1211 PolarHBondContact O-N 2.85Å; Q1209-A1225 CarbonylContact O-C 3.52Å; Q1209-A1225 WeakPolarHBondContact O-CA 3.43Å; Q1209-A1225 WeakPolarHBondContact O-CB 3.3Å; Q1209-R1226 HydrophobicContact CB-CB 4.31Å; Q1209-R1226 PolarHBondContact N-O 3.45Å; Q1209-R1226 PolarHBondContact O-N 3.12Å |
| 1210 | M | 80.2 | Confident | 67.5 | Low | 41 Ų | 41 | 49.7 Ų | 49.7 | 20% | 0.202 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 117.5 | 177.4 | -54.1 | -62.3 | -95 | 0 | 0 | 110.9 | R863 L1208 F1223 A1225 V1241 Y1284 | R863-M1210 PolarHBondContact NH2-O 3.02Å; L1208-M1210 HydrophobicContact CB-SD 4.49Å; M1210-F1223 HydrophobicContact CE-CB 3.65Å; M1210-F1223 HydrophobicContact CE-CD1 3.72Å; M1210-F1223 HydrophobicContact CE-CD2 3.53Å; M1210-F1223 HydrophobicContact CE-CE1 4.21Å; M1210-F1223 HydrophobicContact CE-CE2 4.06Å; M1210-F1223 HydrophobicContact CE-CG 3.36Å; M1210-F1223 HydrophobicContact CE-CZ 4.38Å; M1210-A1225 HydrophobicContact SD-CB 3.87Å; M1210-V1241 HydrophobicContact CE-CB 4.37Å; M1210-V1241 HydrophobicContact CE-CG1 4.16Å; M1210-V1241 HydrophobicContact SD-CG2 4.33Å; M1210-Y1284 HydrophobicContact CE-CE2 4.3Å |
| 1211 | E | 70.7 | Confident | 68.4 | Low | 22 Ų | 22 | 45.3 Ų | 45.3 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -42.7 | -176.3 | -71.3 | -64.2 | 168.8 | 0 | 0 | 112 | R863 Q1209 L1224 R1226 | R863-E1211 VanDerWaalsContact CZ-O 3.32Å; R863-E1211 PolarHBondContact NH1-O 2.92Å; R863-E1211 PolarHBondContact NH2-O 3.3Å; Q1209-E1211 PolarHBondContact NE2-OE1 3.04Å; Q1209-E1211 PolarHBondContact O-N 2.85Å; E1211-L1224 WeakPolarHBondContact CA-O 3.3Å; E1211-L1224 HydrophobicContact CB-CB 4.25Å; E1211-L1224 HydrophobicContact CB-CD2 4.32Å; E1211-L1224 HydrophobicContact CB-CG 4.13Å; E1211-L1224 WeakPolarHBondContact CB-O 3.42Å; E1211-L1224 PolarHBondContact N-O 3.12Å; E1211-R1226 HydrophobicContact CG-CG 4.12Å; E1211-R1226 WeakPolarHBondContact OE1-CD 3.32Å; E1211-R1226 IonicContact OE1-CZ 3.94Å; E1211-R1226 IonicContact OE1-NE 3.75Å; E1211-R1226 PolarHBondContact OE1-NE 2.87Å; E1211-R1226 IonicContact OE1-NH2 3.31Å |
| 1212 | G | 61 | Low | 68.7 | Low | 15 Ų | 15 | 43.5 Ų | 43.5 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.6 | 170.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | F1223 L1224 | G1212-F1223 CarbonylContact O-C 3.47Å; G1212-F1223 WeakPolarHBondContact O-CA 3.29Å; G1212-F1223 WeakPolarHBondContact O-CB 3.24Å; G1212-L1224 PolarHBondContact N-O 2.97Å; G1212-L1224 PolarHBondContact O-N 2.86Å |
| 1213 | I | 65.6 | Low | 68.9 | Low | 71 Ų | 71 | 42 Ų | 42 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 127.9 | 172.6 | -59.9 | 174.1 | 0 | 0 | 0 | 108.6 | G1215 K1216 F1223 | I1213-G1215 WeakPolarHBondContact CG2-O 3.41Å; I1213-K1216 HydrophobicContact CG2-CG 4.06Å; I1213-F1223 HydrophobicContact CD1-CE1 4.09Å; I1213-F1223 HydrophobicContact CG1-CD1 3.61Å; I1213-F1223 HydrophobicContact CG1-CE1 3.59Å |
| 1214 | L | 64.6 | Low | 69 | Low | 63 Ų | 63 | 41.2 Ų | 41.2 | 33% | 0.33 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -32.9 | 176.1 | -66.4 | 174.9 | 0 | 0 | 0 | 112.2 | P1139 V1222 L1224 L1240 Y1289 | P1139-L1214 HydrophobicContact CB-CD2 4.49Å; P1139-L1214 HydrophobicContact CG-CD2 4.05Å; L1214-V1222 HydrophobicContact CB-CG1 4.49Å; L1214-V1222 PolarHBondContact N-O 3.41Å; L1214-L1224 HydrophobicContact CD1-CB 3.9Å; L1214-L1224 HydrophobicContact CD2-CB 4.27Å; L1214-L1224 HydrophobicContact CG-CB 4Å; L1214-L1240 HydrophobicContact CD1-CD2 3.25Å; L1214-Y1289 HydrophobicContact CD1-CE2 4.33Å |
| 1215 | G | 56.2 | Low | 69.3 | Low | 25 Ų | 25 | 39.3 Ų | 39.3 | 26% | 0.258 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 164.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1213 V1222 | I1213-G1215 WeakPolarHBondContact CG2-O 3.41Å; G1215-V1222 PolarHBondContact N-O 3.12Å; G1215-V1222 PolarHBondContact O-N 3.45Å |
| 1216 | K | 53.4 | Low | 69.5 | Low | 103 Ų | 103 | 41.4 Ų | 41.4 | 45% | 0.448 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 151.2 | 174.3 | -63.7 | -171.8 | 153.7 | -87.1 | 0 | 109.2 | I1213 D1221 L1364 | I1213-K1216 HydrophobicContact CG2-CG 4.06Å; K1216-D1221 WeakPolarHBondContact CG-OD1 3.46Å; K1216-D1221 IonicContact NZ-OD1 3.15Å; K1216-D1221 PolarHBondContact NZ-OD1 2.77Å; K1216-D1221 IonicContact NZ-OD2 3.87Å; K1216-D1221 PolarHBondContact NZ-OD2 3.35Å; K1216-L1364 CarbonylContact C-O 3.55Å |
| 1217 | G | 49.2 | Very low | 69.8 | Low | 11 Ų | 11 | 37.5 Ų | 37.5 | 11% | 0.113 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.3 | 179 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1219 G1220 L1364 | G1217-F1219 PolarHBondContact O-N 2.86Å; G1217-G1220 PolarHBondContact N-O 3.15Å; G1217-G1220 VanDerWaalsContact N-O 3.15Å; G1217-G1220 PolarHBondContact O-N 3.32Å; G1217-L1364 VanDerWaalsContact CA-O 3.29Å; G1217-L1364 WeakPolarHBondContact CA-O 3.49Å; G1217-L1364 PolarHBondContact N-O 3.31Å |
| 1218 | E | 47.6 | Very low | 69.8 | Low | 89 Ų | 89 | 40.2 Ų | 40.2 | 42% | 0.416 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -41.6 | -40.8 | -174.6 | -164.9 | 175.3 | -163.2 | 0 | 0 | 115 | T1245 R1366 | E1218-T1245 PolarHBondContact O-OG1 3.07Å; E1218-R1366 IonicContact OE1-NH1 3.44Å; E1218-R1366 WeakPolarHBondContact OE2-CD 3.41Å; E1218-R1366 IonicContact OE2-CZ 3.04Å; E1218-R1366 IonicContact OE2-NE 3.49Å; E1218-R1366 IonicContact OE2-NH1 3.78Å; E1218-R1366 PolarHBondContact OE2-NH1 3.02Å |
| 1219 | F | 51.7 | Low | 69.5 | Low | 14 Ų | 14 | 45.6 Ų | 45.6 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -14.9 | -176.2 | -56.9 | -82.2 | 0 | 0 | 0 | 115.7 | G1217 T1245 H1251 E1254 G1363 L1364 R1366 | G1217-F1219 PolarHBondContact O-N 2.86Å; F1219-T1245 PolarHBondContact O-N 3.43Å; F1219-T1245 PolarHBondContact O-OG1 3.27Å; F1219-H1251 AromaticContact CD1-CD2 3.37Å; F1219-H1251 WeakPolarHBondContact CD1-CD2 3.3Å; F1219-H1251 AromaticContact CD1-NE2 3.98Å; F1219-H1251 AromaticContact CE1-CD2 3.63Å; F1219-E1254 HydrophobicContact CD1-CB 4.37Å; F1219-E1254 HydrophobicContact CD1-CG 4.3Å; F1219-E1254 HydrophobicContact CE1-CB 4.34Å; F1219-E1254 HydrophobicContact CE1-CG 4.32Å; F1219-G1363 VanDerWaalsContact CD2-O 3.26Å; F1219-G1363 WeakPolarHBondContact CD2-O 3.21Å; F1219-L1364 HydrophobicContact CB-CD2 4.43Å; F1219-R1366 HydrophobicContact CE2-CG 4.34Å |
| 1220 | G | 59.9 | Low | 69.2 | Low | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.1 | 147.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | G1217 S1243 T1245 | G1217-G1220 PolarHBondContact N-O 3.15Å; G1217-G1220 VanDerWaalsContact N-O 3.15Å; G1217-G1220 PolarHBondContact O-N 3.32Å; G1220-S1243 WeakPolarHBondContact CA-O 3.4Å; G1220-T1245 PolarHBondContact N-OG1 3.02Å; G1220-T1245 VanDerWaalsContact N-OG1 3.12Å |
| 1221 | D | 69.5 | Low | 68.8 | Low | 31 Ų | 31 | 44.7 Ų | 44.7 | 17% | 0.166 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 141.9 | 155.4 | -75.6 | -4.6 | 0 | 0 | 0 | 109.9 | K1216 F1223 S1243 | K1216-D1221 WeakPolarHBondContact CG-OD1 3.46Å; K1216-D1221 IonicContact NZ-OD1 3.15Å; K1216-D1221 PolarHBondContact NZ-OD1 2.77Å; K1216-D1221 IonicContact NZ-OD2 3.87Å; K1216-D1221 PolarHBondContact NZ-OD2 3.35Å; D1221-F1223 HydrophobicContact CB-CD2 4.26Å; D1221-F1223 HydrophobicContact CB-CE1 4.35Å; D1221-F1223 HydrophobicContact CB-CE2 3.39Å; D1221-F1223 HydrophobicContact CB-CZ 3.44Å; D1221-F1223 VanDerWaalsContact CB-CZ 3.44Å; D1221-S1243 PolarHBondContact N-OG 2.75Å; D1221-S1243 PolarHBondContact O-N 2.89Å; D1221-S1243 PolarHBondContact O-OG 3.48Å |
| 1222 | V | 72.9 | Confident | 68.6 | Low | 19 Ų | 19 | 53.3 Ų | 53.3 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125.8 | 172.2 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | L1214 G1215 L1240 V1241 L1364 | L1214-V1222 HydrophobicContact CB-CG1 4.49Å; L1214-V1222 PolarHBondContact N-O 3.41Å; G1215-V1222 PolarHBondContact N-O 3.12Å; G1215-V1222 PolarHBondContact O-N 3.45Å; V1222-L1240 HydrophobicContact CG1-CD2 4.43Å; V1222-V1241 WeakPolarHBondContact CA-O 3.15Å; V1222-L1364 HydrophobicContact CG2-CB 3.68Å; V1222-L1364 HydrophobicContact CG2-CD1 3.44Å; V1222-L1364 VanDerWaalsContact CG2-CD1 3.44Å; V1222-L1364 HydrophobicContact CG2-CD2 3.84Å; V1222-L1364 HydrophobicContact CG2-CG 3.83Å |
| 1223 | F | 78.2 | Confident | 68.5 | Low | 33 Ų | 33 | 56.9 Ų | 56.9 | 15% | 0.145 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 149 | -178.3 | -49 | -102 | 0 | 0 | 0 | 111.2 | M1210 G1212 I1213 D1221 V1241 | M1210-F1223 HydrophobicContact CE-CB 3.65Å; M1210-F1223 HydrophobicContact CE-CD1 3.72Å; M1210-F1223 HydrophobicContact CE-CD2 3.53Å; M1210-F1223 HydrophobicContact CE-CE1 4.21Å; M1210-F1223 HydrophobicContact CE-CE2 4.06Å; M1210-F1223 HydrophobicContact CE-CG 3.36Å; M1210-F1223 HydrophobicContact CE-CZ 4.38Å; G1212-F1223 CarbonylContact O-C 3.47Å; G1212-F1223 WeakPolarHBondContact O-CA 3.29Å; G1212-F1223 WeakPolarHBondContact O-CB 3.24Å; I1213-F1223 HydrophobicContact CD1-CE1 4.09Å; I1213-F1223 HydrophobicContact CG1-CD1 3.61Å; I1213-F1223 HydrophobicContact CG1-CE1 3.59Å; D1221-F1223 HydrophobicContact CB-CD2 4.26Å; D1221-F1223 HydrophobicContact CB-CE1 4.35Å; D1221-F1223 HydrophobicContact CB-CE2 3.39Å; D1221-F1223 HydrophobicContact CB-CZ 3.44Å; D1221-F1223 VanDerWaalsContact CB-CZ 3.44Å; F1223-V1241 HydrophobicContact CB-CB 4.26Å; F1223-V1241 WeakPolarHBondContact CD2-O 3.42Å; F1223-V1241 PolarHBondContact N-O 2.95Å; F1223-V1241 PolarHBondContact O-N 3.44Å |
| 1224 | L | 82.1 | Confident | 68.7 | Low | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 136.6 | 155 | -172.6 | 60.9 | 0 | 0 | 0 | 108 | E1211 G1212 L1214 L1238 Y1289 | E1211-L1224 WeakPolarHBondContact CA-O 3.3Å; E1211-L1224 HydrophobicContact CB-CB 4.25Å; E1211-L1224 HydrophobicContact CB-CD2 4.32Å; E1211-L1224 HydrophobicContact CB-CG 4.13Å; E1211-L1224 WeakPolarHBondContact CB-O 3.42Å; E1211-L1224 PolarHBondContact N-O 3.12Å; G1212-L1224 PolarHBondContact N-O 2.97Å; G1212-L1224 PolarHBondContact O-N 2.86Å; L1214-L1224 HydrophobicContact CD1-CB 3.9Å; L1214-L1224 HydrophobicContact CD2-CB 4.27Å; L1214-L1224 HydrophobicContact CG-CB 4Å; L1224-L1238 HydrophobicContact CD1-CB 4.46Å; L1224-L1238 HydrophobicContact CD1-CD2 4.11Å; L1224-L1238 HydrophobicContact CD2-CD2 4.42Å; L1224-L1238 HydrophobicContact CG-CD2 4.24Å; L1224-Y1289 HydrophobicContact CD1-CD2 3.46Å; L1224-Y1289 VanDerWaalsContact CD1-CD2 3.46Å; L1224-Y1289 HydrophobicContact CD1-CE2 3.64Å; L1224-Y1289 HydrophobicContact CD1-CG 3.96Å |
| 1225 | A | 84.7 | Confident | 68.8 | Low | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 164.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1208 Q1209 M1210 L1238 V1239 V1241 | L1208-A1225 HydrophobicContact CD2-CB 3.91Å; Q1209-A1225 CarbonylContact O-C 3.52Å; Q1209-A1225 WeakPolarHBondContact O-CA 3.43Å; Q1209-A1225 WeakPolarHBondContact O-CB 3.3Å; M1210-A1225 HydrophobicContact SD-CB 3.87Å; A1225-L1238 WeakPolarHBondContact O-CA 3.4Å; A1225-V1239 HydrophobicContact CB-CG2 4.06Å; A1225-V1239 PolarHBondContact N-O 3.06Å; A1225-V1239 PolarHBondContact O-N 3.27Å; A1225-V1241 HydrophobicContact CB-CG2 3.5Å; A1225-V1241 VanDerWaalsContact CB-CG2 3.5Å |
| 1226 | R | 86.7 | Confident | 69.7 | Low | 84 Ų | 84 | 59.4 Ų | 59.4 | 32% | 0.317 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 133.9 | 159.1 | -61.5 | 176.4 | -159.8 | -85.6 | -8.2 | 109.2 | L1208 Q1209 E1211 S1237 L1238 | L1208-R1226 WeakPolarHBondContact CA-O 3.24Å; Q1209-R1226 HydrophobicContact CB-CB 4.31Å; Q1209-R1226 PolarHBondContact N-O 3.45Å; Q1209-R1226 PolarHBondContact O-N 3.12Å; E1211-R1226 HydrophobicContact CG-CG 4.12Å; E1211-R1226 WeakPolarHBondContact OE1-CD 3.32Å; E1211-R1226 IonicContact OE1-CZ 3.94Å; E1211-R1226 IonicContact OE1-NE 3.75Å; E1211-R1226 PolarHBondContact OE1-NE 2.87Å; E1211-R1226 IonicContact OE1-NH2 3.31Å; R1226-S1237 CarbonylContact C-O 3.47Å; R1226-S1237 VanDerWaalsContact CA-O 3.27Å; R1226-S1237 WeakPolarHBondContact CA-O 3.47Å; R1226-L1238 HydrophobicContact CG-CD2 3.82Å |
| 1227 | A | 84.1 | Confident | 71 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y1203 L1208 I1230 Q1236 S1237 V1239 | Y1203-A1227 HydrophobicContact CE1-CB 4.19Å; Y1203-A1227 HydrophobicContact CE2-CB 4.19Å; Y1203-A1227 WeakPolarHBondContact OH-CA 3.42Å; Y1203-A1227 WeakPolarHBondContact OH-CB 3.26Å; L1208-A1227 HydrophobicContact CD2-CB 3.98Å; A1227-I1230 HydrophobicContact CB-CB 3.86Å; A1227-I1230 HydrophobicContact CB-CD1 3.95Å; A1227-I1230 HydrophobicContact CB-CG2 3.65Å; A1227-Q1236 CarbonylContact O-C 3.51Å; A1227-Q1236 VanDerWaalsContact O-CA 3.31Å; A1227-Q1236 WeakPolarHBondContact O-CA 3.42Å; A1227-S1237 PolarHBondContact N-O 3.37Å; A1227-S1237 PolarHBondContact O-N 3.3Å; A1227-V1239 HydrophobicContact CB-CG1 3.9Å; A1227-V1239 HydrophobicContact CB-CG2 4Å |
| 1228 | R | 83 | Confident | 72.7 | Confident | 121 Ų | 121 | 56.3 Ų | 56.3 | 46% | 0.457 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 138.6 | 173 | -59 | 178.6 | -179.3 | -162.5 | -0.8 | 109.5 | Y1203 E1207 I1230 A1235 Q1236 | Y1203-R1228 WeakPolarHBondContact CE2-O 3.28Å; Y1203-R1228 PolarHBondContact OH-N 3.05Å; Y1203-R1228 PolarHBondContact OH-O 3.29Å; E1207-R1228 HydrophobicContact CB-CB 4.31Å; E1207-R1228 PolarHBondContact O-N 2.94Å; R1228-I1230 PolarHBondContact O-N 3.43Å; R1228-A1235 WeakPolarHBondContact CA-O 3.17Å; R1228-Q1236 HydrophobicContact CG-CG 4.12Å |
| 1229 | H | 76.4 | Confident | 74.6 | Confident | 134 Ų | 134 | 52.1 Ų | 52.1 | 62% | 0.62 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 53.2 | 21.3 | 168.4 | -48 | -53.7 | 0 | 0 | 0 | 116.8 | Q1231 E1234 A1235 | H1229-Q1231 VanDerWaalsContact C-N 3.34Å; H1229-E1234 WeakPolarHBondContact CA-O 3.13Å; H1229-E1234 PolarHBondContact ND1-O 3.01Å; H1229-A1235 PolarHBondContact N-O 3.3Å |
| 1230 | I | 76.3 | Confident | 76.3 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 14% | 0.138 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -80 | -17.7 | -178.7 | -158 | 170.5 | 0 | 0 | 0 | 113 | Y1203 A1227 R1228 S1237 V1239 L1274 L1286 | Y1203-I1230 HydrophobicContact CD2-CB 4.17Å; Y1203-I1230 HydrophobicContact CD2-CD1 3.6Å; Y1203-I1230 HydrophobicContact CD2-CG1 3.68Å; Y1203-I1230 HydrophobicContact CE2-CB 3.72Å; Y1203-I1230 HydrophobicContact CE2-CD1 3.86Å; Y1203-I1230 HydrophobicContact CE2-CG1 3.79Å; Y1203-I1230 HydrophobicContact CG-CD1 4.07Å; A1227-I1230 HydrophobicContact CB-CB 3.86Å; A1227-I1230 HydrophobicContact CB-CD1 3.95Å; A1227-I1230 HydrophobicContact CB-CG2 3.65Å; R1228-I1230 PolarHBondContact O-N 3.43Å; I1230-S1237 WeakPolarHBondContact CG2-OG 3.49Å; I1230-V1239 HydrophobicContact CD1-CG1 4.42Å; I1230-V1239 HydrophobicContact CG2-CG1 4.09Å; I1230-L1274 HydrophobicContact CD1-CB 3.71Å; I1230-L1274 HydrophobicContact CG1-CB 4.08Å; I1230-L1286 HydrophobicContact CD1-CB 4.26Å; I1230-L1286 HydrophobicContact CD1-CD2 3.48Å; I1230-L1286 VanDerWaalsContact CD1-CD2 3.48Å |
| 1231 | Q | 70.9 | Confident | 77.5 | Confident | 73 Ų | 73 | 52.2 Ų | 52.2 | 34% | 0.341 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -120.5 | 139.5 | 169.4 | -57.6 | -169.5 | 37.6 | 0 | 0 | 108.6 | H1229 G1233 E1234 L1274 | H1229-Q1231 VanDerWaalsContact C-N 3.34Å; Q1231-G1233 PolarHBondContact O-N 2.97Å; Q1231-E1234 HydrophobicContact CB-CB 4.39Å; Q1231-E1234 HydrophobicContact CB-CG 4.29Å; Q1231-E1234 PolarHBondContact O-N 2.92Å; Q1231-E1234 VanDerWaalsContact O-N 3.13Å; Q1231-L1274 HydrophobicContact CG-CD2 4.46Å |
| 1232 | E | 65.9 | Low | 78 | Confident | 202 Ų | 202 | 51 Ų | 51 | 94% | 0.944 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 131.2 | -178.8 | -66.2 | -169.8 | 164.7 | 0 | 0 | 111.1 | E1234 | E1232-E1234 VanDerWaalsContact C-N 3.29Å; E1232-E1234 PolarHBondContact O-N 3.41Å |
| 1233 | G | 60.3 | Low | 78.2 | Confident | 90 Ų | 90 | 50.2 Ų | 50.2 | 93% | 0.928 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | -17.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q1231 | Q1231-G1233 PolarHBondContact O-N 2.97Š|
| 1234 | E | 69.3 | Low | 77.7 | Confident | 88 Ų | 88 | 49 Ų | 49 | 41% | 0.411 | 25% | 0.254 | S | S | . | . | trans | -88.6 | 130.9 | 177.1 | -64.8 | -152.7 | 137.9 | 0 | 0 | 112.7 | H1229 Q1231 E1232 S1237 | H1229-E1234 WeakPolarHBondContact CA-O 3.13Å; H1229-E1234 PolarHBondContact ND1-O 3.01Å; Q1231-E1234 HydrophobicContact CB-CB 4.39Å; Q1231-E1234 HydrophobicContact CB-CG 4.29Å; Q1231-E1234 PolarHBondContact O-N 2.92Å; Q1231-E1234 VanDerWaalsContact O-N 3.13Å; E1232-E1234 VanDerWaalsContact C-N 3.29Å; E1232-E1234 PolarHBondContact O-N 3.41Å; E1234-S1237 WeakPolarHBondContact OE2-CA 3.36Å; E1234-S1237 WeakPolarHBondContact OE2-CB 3.38Å; E1234-S1237 PolarHBondContact OE2-OG 2.99Å | ||
| 1235 | A | 65.5 | Low | 76.6 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 32% | 0.322 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -71.7 | -38.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1228 H1229 | R1228-A1235 WeakPolarHBondContact CA-O 3.17Å; H1229-A1235 PolarHBondContact N-O 3.3Å |
| 1236 | Q | 75.9 | Confident | 75.1 | Confident | 86 Ų | 86 | 53.5 Ų | 53.5 | 40% | 0.402 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 121 | 175.7 | -67.3 | -174.3 | 9.6 | 0 | 0 | 111.1 | A1227 R1228 | A1227-Q1236 CarbonylContact O-C 3.51Å; A1227-Q1236 VanDerWaalsContact O-CA 3.31Å; A1227-Q1236 WeakPolarHBondContact O-CA 3.42Å; R1228-Q1236 HydrophobicContact CG-CG 4.12Å |
| 1237 | S | 80.4 | Confident | 73.6 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 149.6 | 173.6 | -45.2 | 0 | 0 | 0 | 0 | 110.9 | R1226 A1227 I1230 E1234 | R1226-S1237 CarbonylContact C-O 3.47Å; R1226-S1237 VanDerWaalsContact CA-O 3.27Å; R1226-S1237 WeakPolarHBondContact CA-O 3.47Å; A1227-S1237 PolarHBondContact N-O 3.37Å; A1227-S1237 PolarHBondContact O-N 3.3Å; I1230-S1237 WeakPolarHBondContact CG2-OG 3.49Å; E1234-S1237 WeakPolarHBondContact OE2-CA 3.36Å; E1234-S1237 WeakPolarHBondContact OE2-CB 3.38Å; E1234-S1237 PolarHBondContact OE2-OG 2.99Å |
| 1238 | L | 84.8 | Confident | 72 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 25% | 0.246 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 133.4 | 165.3 | -75.9 | 172.8 | 0 | 0 | 0 | 110.2 | I750 L1224 A1225 R1226 Y1289 | I750-L1238 HydrophobicContact CD1-CD1 4.49Å; L1224-L1238 HydrophobicContact CD1-CB 4.46Å; L1224-L1238 HydrophobicContact CD1-CD2 4.11Å; L1224-L1238 HydrophobicContact CD2-CD2 4.42Å; L1224-L1238 HydrophobicContact CG-CD2 4.24Å; A1225-L1238 WeakPolarHBondContact O-CA 3.4Å; R1226-L1238 HydrophobicContact CG-CD2 3.82Å; L1238-Y1289 HydrophobicContact CB-CD1 4.25Å; L1238-Y1289 HydrophobicContact CB-CG 4.33Å; L1238-Y1289 HydrophobicContact CD1-CD1 4.35Å; L1238-Y1289 WeakPolarHBondContact O-CB 3.39Å |
| 1239 | V | 88.3 | Confident | 70.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 147.5 | -177 | -56.6 | 0 | 0 | 0 | 0 | 112 | L1208 A1225 A1227 I1230 V1241 L1274 L1287 | L1208-V1239 HydrophobicContact CD2-CG2 3.89Å; A1225-V1239 HydrophobicContact CB-CG2 4.06Å; A1225-V1239 PolarHBondContact N-O 3.06Å; A1225-V1239 PolarHBondContact O-N 3.27Å; A1227-V1239 HydrophobicContact CB-CG1 3.9Å; A1227-V1239 HydrophobicContact CB-CG2 4Å; I1230-V1239 HydrophobicContact CD1-CG1 4.42Å; I1230-V1239 HydrophobicContact CG2-CG1 4.09Å; V1239-V1241 HydrophobicContact CG2-CG2 3.84Å; V1239-L1274 HydrophobicContact CG1-CD1 3.69Å; V1239-L1287 WeakPolarHBondContact CA-O 3.34Å |
| 1240 | L | 86.9 | Confident | 69.1 | Low | 16 Ų | 16 | 53.9 Ų | 53.9 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 116.6 | 167 | -71.6 | 175.4 | 0 | 0 | 0 | 109.1 | L1214 V1222 L1286 L1287 Y1289 L1350 | L1214-L1240 HydrophobicContact CD1-CD2 3.25Å; V1222-L1240 HydrophobicContact CG1-CD2 4.43Å; L1240-L1286 CarbonylContact O-C 3.49Å; L1240-L1286 WeakPolarHBondContact O-CA 3.29Å; L1240-L1287 HydrophobicContact CB-CB 4.21Å; L1240-L1287 PolarHBondContact N-O 2.95Å; L1240-L1287 PolarHBondContact O-N 3.17Å; L1240-Y1289 HydrophobicContact CD2-CD2 3.76Å; L1240-Y1289 HydrophobicContact CD2-CE2 4.29Å; L1240-Y1289 HydrophobicContact CG-CD2 4.01Å; L1240-L1350 HydrophobicContact CD1-CD1 3.98Å |
| 1241 | V | 85.6 | Confident | 68.2 | Low | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 107.5 | 177.9 | -170 | 0 | 0 | 0 | 0 | 108.8 | L1208 M1210 V1222 F1223 A1225 V1239 Y1284 I1285 | L1208-V1241 HydrophobicContact CD1-CG1 4.19Å; L1208-V1241 HydrophobicContact CD1-CG2 4.2Å; L1208-V1241 HydrophobicContact CD2-CG2 4.01Å; M1210-V1241 HydrophobicContact CE-CB 4.37Å; M1210-V1241 HydrophobicContact CE-CG1 4.16Å; M1210-V1241 HydrophobicContact SD-CG2 4.33Å; V1222-V1241 WeakPolarHBondContact CA-O 3.15Å; F1223-V1241 HydrophobicContact CB-CB 4.26Å; F1223-V1241 WeakPolarHBondContact CD2-O 3.42Å; F1223-V1241 PolarHBondContact N-O 2.95Å; F1223-V1241 PolarHBondContact O-N 3.44Å; A1225-V1241 HydrophobicContact CB-CG2 3.5Å; A1225-V1241 VanDerWaalsContact CB-CG2 3.5Å; V1239-V1241 HydrophobicContact CG2-CG2 3.84Å; V1241-Y1284 HydrophobicContact CG1-CD1 3.94Å; V1241-Y1284 HydrophobicContact CG1-CD2 3.77Å; V1241-Y1284 HydrophobicContact CG1-CE2 4.38Å; V1241-Y1284 HydrophobicContact CG1-CG 3.53Å; V1241-I1285 CarbonylContact C-O 3.57Å; V1241-I1285 WeakPolarHBondContact CA-O 3.43Å |
| 1242 | K | 79.3 | Confident | 67.5 | Low | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 127.6 | 168.4 | 164.4 | 179.6 | -178.2 | 142.3 | 0 | 109 | Y1284 I1285 L1364 | K1242-Y1284 CarbonylContact O-C 3.6Å; K1242-Y1284 VanDerWaalsContact O-CA 3.23Å; K1242-Y1284 WeakPolarHBondContact O-CA 3.28Å; K1242-I1285 HydrophobicContact CB-CB 4.28Å; K1242-I1285 HydrophobicContact CD-CD1 4.32Å; K1242-I1285 PolarHBondContact N-O 3.38Å; K1242-I1285 PolarHBondContact O-N 2.96Å; K1242-L1364 HydrophobicContact CB-CD1 4.02Å; K1242-L1364 HydrophobicContact CD-CD1 3.54Å; K1242-L1364 HydrophobicContact CD-CD2 3.98Å; K1242-L1364 HydrophobicContact CD-CG 4.12Å; K1242-L1364 HydrophobicContact CG-CD1 3.79Å; K1242-L1364 HydrophobicContact CG-CD2 3.86Å; K1242-L1364 HydrophobicContact CG-CG 4.38Å |
| 1243 | S | 77.1 | Confident | 67 | Low | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 152.5 | 166.3 | 71.6 | 0 | 0 | 0 | 0 | 113 | G1220 D1221 F1283 | G1220-S1243 WeakPolarHBondContact CA-O 3.4Å; D1221-S1243 PolarHBondContact N-OG 2.75Å; D1221-S1243 PolarHBondContact O-N 2.89Å; D1221-S1243 PolarHBondContact O-OG 3.48Å; S1243-F1283 CarbonylContact C-O 3.19Å; S1243-F1283 WeakPolarHBondContact CA-O 3.27Å |
| 1244 | L | 68.9 | Low | 66.8 | Low | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | trans | -92.9 | 105.2 | 163.1 | -178.2 | 60.9 | 0 | 0 | 0 | 109.8 | S1246 H1251 I1252 F1255 P1282 F1283 | L1244-S1246 WeakPolarHBondContact CD1-O 3.41Å; L1244-S1246 WeakPolarHBondContact CG-O 3.44Å; L1244-H1251 HydrophobicContact CD1-CB 3.78Å; L1244-I1252 HydrophobicContact CD2-CG1 4.25Å; L1244-F1255 HydrophobicContact CB-CD2 3.8Å; L1244-F1255 HydrophobicContact CB-CE2 3.96Å; L1244-F1255 HydrophobicContact CD1-CB 4.16Å; L1244-F1255 HydrophobicContact CD1-CD2 4.21Å; L1244-F1255 HydrophobicContact CD2-CB 4.32Å; L1244-F1255 HydrophobicContact CD2-CD2 4.02Å; L1244-F1255 HydrophobicContact CD2-CE2 4.45Å; L1244-F1255 HydrophobicContact CD2-CG 4.12Å; L1244-F1255 HydrophobicContact CG-CD2 4.23Å; L1244-P1282 WeakPolarHBondContact O-CB 3.38Å; L1244-F1283 HydrophobicContact CD2-CD2 4.2Å; L1244-F1283 PolarHBondContact N-O 3.17Å | ||
| 1245 | T | 59.3 | Low | 66.5 | Low | 70 Ų | 70 | 42 Ų | 42 | 43% | 0.429 | 24% | 0.243 | S | C | . | . | trans | -79.6 | -20.7 | -173.2 | 39.5 | 0 | 0 | 0 | 0 | 115.2 | E1218 F1219 G1220 | E1218-T1245 PolarHBondContact O-OG1 3.07Å; F1219-T1245 PolarHBondContact O-N 3.43Å; F1219-T1245 PolarHBondContact O-OG1 3.27Å; G1220-T1245 PolarHBondContact N-OG1 3.02Å; G1220-T1245 VanDerWaalsContact N-OG1 3.12Å | ||
| 1246 | S | 52.5 | Low | 66.3 | Low | 28 Ų | 28 | 41.5 Ų | 41.5 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | trans | -142.5 | 152.6 | 170.4 | 107.9 | 0 | 0 | 0 | 0 | 112.1 | L1244 D1248 H1251 | L1244-S1246 WeakPolarHBondContact CD1-O 3.41Å; L1244-S1246 WeakPolarHBondContact CG-O 3.44Å; S1246-D1248 VanDerWaalsContact C-N 3.27Å; S1246-D1248 WeakPolarHBondContact CB-OD2 3.45Å; S1246-D1248 PolarHBondContact O-N 3.37Å; S1246-D1248 WeakPolarHBondContact OG-CB 3.48Å; S1246-D1248 PolarHBondContact OG-N 3.41Å; S1246-D1248 VanDerWaalsContact OG-N 3.16Å; S1246-D1248 PolarHBondContact OG-OD2 3.19Å; S1246-H1251 WeakPolarHBondContact O-CB 3.47Å; S1246-H1251 PolarHBondContact OG-ND1 3.4Å | ||
| 1247 | C | 55 | Low | 65.6 | Low | 66 Ų | 66 | 40.3 Ų | 40.3 | 45% | 0.446 | 23% | 0.226 | S | C | . | . | trans | -93.2 | 24.6 | 177.3 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | I1252 E1281 | C1247-I1252 HydrophobicContact CB-CD1 4.12Å; C1247-I1252 VanDerWaalsContact O-CD1 3.24Å; C1247-I1252 WeakPolarHBondContact O-CD1 3.39Å; C1247-E1281 PolarHBondContact SG-OE1 3.36Å; C1247-E1281 VanDerWaalsContact SG-OE1 3.42Å | ||
| 1248 | D | 50.8 | Low | 64.8 | Low | 100 Ų | 100 | 40.3 Ų | 40.3 | 54% | 0.535 | 23% | 0.226 | S | C | . | . | trans | -68.4 | 146.4 | 170.8 | -68.4 | -63.8 | 0 | 0 | 0 | 110.3 | S1246 V1250 H1251 I1252 | S1246-D1248 VanDerWaalsContact C-N 3.27Å; S1246-D1248 WeakPolarHBondContact CB-OD2 3.45Å; S1246-D1248 PolarHBondContact O-N 3.37Å; S1246-D1248 WeakPolarHBondContact OG-CB 3.48Å; S1246-D1248 PolarHBondContact OG-N 3.41Å; S1246-D1248 VanDerWaalsContact OG-N 3.16Å; S1246-D1248 PolarHBondContact OG-OD2 3.19Å; D1248-V1250 PolarHBondContact O-N 3.31Å; D1248-V1250 VanDerWaalsContact O-N 3.1Å; D1248-H1251 PolarHBondContact O-N 3.37Å; D1248-I1252 PolarHBondContact O-N 2.91Å | ||
| 1249 | S | 48.1 | Very low | 63.9 | Low | 85 Ų | 85 | 39.1 Ų | 39.1 | 59% | 0.594 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -60.3 | -27.9 | -173.4 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | N1253 | S1249-N1253 WeakPolarHBondContact O-CB 3.48Å; S1249-N1253 PolarHBondContact O-N 2.82Å; S1249-N1253 PolarHBondContact O-ND2 3.49Å; S1249-N1253 PolarHBondContact O-OD1 3.27Å |
| 1250 | V | 51.2 | Low | 62.5 | Low | 96 Ų | 96 | 44.8 Ų | 44.8 | 58% | 0.582 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.8 | -43.6 | 173.9 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | D1248 E1254 | D1248-V1250 PolarHBondContact O-N 3.31Å; D1248-V1250 VanDerWaalsContact O-N 3.1Å; V1250-E1254 PolarHBondContact O-N 3.39Å; V1250-E1254 VanDerWaalsContact O-N 3.07Å |
| 1251 | H | 56.1 | Low | 61.3 | Low | 26 Ų | 26 | 44.6 Ų | 44.6 | 12% | 0.12 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -76.5 | -38.3 | -177.9 | -58.8 | 161.9 | 0 | 0 | 0 | 111.5 | F1219 L1244 S1246 D1248 E1254 F1255 | F1219-H1251 AromaticContact CD1-CD2 3.37Å; F1219-H1251 WeakPolarHBondContact CD1-CD2 3.3Å; F1219-H1251 AromaticContact CD1-NE2 3.98Å; F1219-H1251 AromaticContact CE1-CD2 3.63Å; L1244-H1251 HydrophobicContact CD1-CB 3.78Å; S1246-H1251 WeakPolarHBondContact O-CB 3.47Å; S1246-H1251 PolarHBondContact OG-ND1 3.4Å; D1248-H1251 PolarHBondContact O-N 3.37Å; H1251-E1254 PolarHBondContact O-N 3.49Å; H1251-F1255 WeakPolarHBondContact O-CB 3.31Å; H1251-F1255 PolarHBondContact O-N 2.88Å |
| 1252 | I | 57.4 | Low | 60.4 | Low | 56 Ų | 56 | 44.8 Ų | 44.8 | 29% | 0.287 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 170.6 | -71.4 | 176.2 | 0 | 0 | 0 | 111.1 | L1244 C1247 D1248 F1255 H1256 | L1244-I1252 HydrophobicContact CD2-CG1 4.25Å; C1247-I1252 HydrophobicContact CB-CD1 4.12Å; C1247-I1252 VanDerWaalsContact O-CD1 3.24Å; C1247-I1252 WeakPolarHBondContact O-CD1 3.39Å; D1248-I1252 PolarHBondContact O-N 2.91Å; I1252-F1255 WeakPolarHBondContact O-CB 3.43Å; I1252-F1255 PolarHBondContact O-N 3.4Å; I1252-H1256 PolarHBondContact O-CD2 3.43Å; I1252-H1256 PolarHBondContact O-N 3Å |
| 1253 | N | 53.9 | Low | 59.6 | Low | 107 Ų | 107 | 46.2 Ų | 46.2 | 57% | 0.572 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -65.4 | -40.1 | 177.2 | -73.6 | -12.7 | 0 | 0 | 0 | 112.5 | S1249 R1257 | S1249-N1253 WeakPolarHBondContact O-CB 3.48Å; S1249-N1253 PolarHBondContact O-N 2.82Å; S1249-N1253 PolarHBondContact O-ND2 3.49Å; S1249-N1253 PolarHBondContact O-OD1 3.27Å; N1253-R1257 WeakPolarHBondContact O-CB 3.35Å; N1253-R1257 PolarHBondContact O-N 2.91Å |
| 1254 | E | 57.1 | Low | 58.8 | Low | 32 Ų | 32 | 51.3 Ų | 51.3 | 15% | 0.15 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71 | -32.7 | 175.2 | -176.4 | 57.1 | -146.8 | 0 | 0 | 111.7 | F1219 V1250 H1251 R1257 Q1258 | F1219-E1254 HydrophobicContact CD1-CB 4.37Å; F1219-E1254 HydrophobicContact CD1-CG 4.3Å; F1219-E1254 HydrophobicContact CE1-CB 4.34Å; F1219-E1254 HydrophobicContact CE1-CG 4.32Å; V1250-E1254 PolarHBondContact O-N 3.39Å; V1250-E1254 VanDerWaalsContact O-N 3.07Å; H1251-E1254 PolarHBondContact O-N 3.49Å; E1254-R1257 PolarHBondContact O-N 3.28Å; E1254-R1257 IonicContact OE1-NH1 3.74Å; E1254-R1257 PolarHBondContact OE1-NH1 2.78Å; E1254-R1257 WeakPolarHBondContact OE2-CD 3.46Å; E1254-R1257 IonicContact OE2-CZ 2.65Å; E1254-R1257 IonicContact OE2-NH1 3.87Å; E1254-R1257 PolarHBondContact OE2-NH1 3.31Å; E1254-Q1258 VanDerWaalsContact O-CG 3.29Å; E1254-Q1258 WeakPolarHBondContact O-CG 3.46Å; E1254-Q1258 PolarHBondContact O-N 2.84Å; E1254-Q1258 VanDerWaalsContact O-N 3.15Å; E1254-Q1258 PolarHBondContact OE1-NE2 2.64Å |
| 1255 | F | 62.4 | Low | 58.4 | Low | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.035 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 170.6 | -173.3 | -89.2 | 0 | 0 | 0 | 111.4 | L1244 H1251 I1252 R1257 Q1258 L1259 M1278 F1283 I1285 | L1244-F1255 HydrophobicContact CB-CD2 3.8Å; L1244-F1255 HydrophobicContact CB-CE2 3.96Å; L1244-F1255 HydrophobicContact CD1-CB 4.16Å; L1244-F1255 HydrophobicContact CD1-CD2 4.21Å; L1244-F1255 HydrophobicContact CD2-CB 4.32Å; L1244-F1255 HydrophobicContact CD2-CD2 4.02Å; L1244-F1255 HydrophobicContact CD2-CE2 4.45Å; L1244-F1255 HydrophobicContact CD2-CG 4.12Å; L1244-F1255 HydrophobicContact CG-CD2 4.23Å; H1251-F1255 WeakPolarHBondContact O-CB 3.31Å; H1251-F1255 PolarHBondContact O-N 2.88Å; I1252-F1255 WeakPolarHBondContact O-CB 3.43Å; I1252-F1255 PolarHBondContact O-N 3.4Å; F1255-R1257 PolarHBondContact O-N 2.86Å; F1255-Q1258 PolarHBondContact O-N 3.12Å; F1255-Q1258 VanDerWaalsContact O-N 3.15Å; F1255-L1259 HydrophobicContact CD1-CD1 3.95Å; F1255-L1259 HydrophobicContact CD1-CG 4.44Å; F1255-L1259 HydrophobicContact CE1-CD1 3.68Å; F1255-L1259 HydrophobicContact CE1-CG 4.37Å; F1255-L1259 PolarHBondContact O-N 2.69Å; F1255-L1259 VanDerWaalsContact O-N 3.1Å; F1255-M1278 HydrophobicContact CE1-CE 4.15Å; F1255-M1278 HydrophobicContact CE1-SD 4.14Å; F1255-M1278 HydrophobicContact CZ-CE 4.44Å; F1255-M1278 HydrophobicContact CZ-SD 3.96Å; F1255-F1283 HydrophobicContact CE2-CB 4.13Å; F1255-F1283 HydrophobicContact CZ-CB 3.86Å; F1255-I1285 HydrophobicContact CD2-CD1 3.73Å; F1255-I1285 HydrophobicContact CD2-CG1 3.97Å; F1255-I1285 HydrophobicContact CE2-CD1 3.73Å; F1255-I1285 HydrophobicContact CE2-CG1 3.42Å; F1255-I1285 VanDerWaalsContact CE2-CG1 3.42Å; F1255-I1285 HydrophobicContact CG-CD1 4.2Å; F1255-I1285 HydrophobicContact CZ-CD1 4.17Å; F1255-I1285 HydrophobicContact CZ-CG1 3.76Å |
| 1256 | H | 61.9 | Low | 58.9 | Low | 30 Ų | 30 | 53 Ų | 53 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 174.2 | -79.6 | -64.6 | 0 | 0 | 0 | 112.4 | I1252 Q1258 L1259 E1260 | I1252-H1256 PolarHBondContact O-CD2 3.43Å; I1252-H1256 PolarHBondContact O-N 3Å; H1256-Q1258 PolarHBondContact O-N 3.1Å; H1256-L1259 CarbonylContact O-C 3.59Å; H1256-L1259 WeakPolarHBondContact O-CA 3.38Å; H1256-L1259 WeakPolarHBondContact O-CB 3.4Å; H1256-L1259 PolarHBondContact O-N 2.56Å; H1256-E1260 WeakPolarHBondContact O-CG 3.46Å; H1256-E1260 PolarHBondContact O-N 2.7Å |
| 1257 | R | 60.2 | Low | 60.5 | Low | 61 Ų | 61 | 53.9 Ų | 53.9 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -31.4 | 176.9 | 179.6 | 178.8 | 166.9 | -127.9 | -6.2 | 113 | N1253 E1254 F1255 L1261 H1341 | N1253-R1257 WeakPolarHBondContact O-CB 3.35Å; N1253-R1257 PolarHBondContact O-N 2.91Å; E1254-R1257 PolarHBondContact O-N 3.28Å; E1254-R1257 IonicContact OE1-NH1 3.74Å; E1254-R1257 PolarHBondContact OE1-NH1 2.78Å; E1254-R1257 WeakPolarHBondContact OE2-CD 3.46Å; E1254-R1257 IonicContact OE2-CZ 2.65Å; E1254-R1257 IonicContact OE2-NH1 3.87Å; E1254-R1257 PolarHBondContact OE2-NH1 3.31Å; F1255-R1257 PolarHBondContact O-N 2.86Å; R1257-L1261 WeakPolarHBondContact O-CB 3.46Å; R1257-L1261 PolarHBondContact O-N 2.76Å; R1257-H1341 PolarHBondContact NH2-O 2.95Å |
| 1258 | Q | 63.5 | Low | 62 | Low | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -79 | -33.1 | 176.1 | -66.3 | -174 | 12.5 | 0 | 0 | 112 | E1254 F1255 H1256 F1262 I1285 S1361 | E1254-Q1258 VanDerWaalsContact O-CG 3.29Å; E1254-Q1258 WeakPolarHBondContact O-CG 3.46Å; E1254-Q1258 PolarHBondContact O-N 2.84Å; E1254-Q1258 VanDerWaalsContact O-N 3.15Å; E1254-Q1258 PolarHBondContact OE1-NE2 2.64Å; F1255-Q1258 PolarHBondContact O-N 3.12Å; F1255-Q1258 VanDerWaalsContact O-N 3.15Å; H1256-Q1258 PolarHBondContact O-N 3.1Å; Q1258-F1262 HydrophobicContact CB-CD2 4.17Å; Q1258-F1262 HydrophobicContact CB-CE2 4.24Å; Q1258-F1262 WeakPolarHBondContact O-CB 3.2Å; Q1258-F1262 WeakPolarHBondContact O-CD2 3.45Å; Q1258-F1262 WeakPolarHBondContact O-CG 3.4Å; Q1258-F1262 PolarHBondContact O-N 3.5Å; Q1258-I1285 HydrophobicContact CB-CD1 4.18Å; Q1258-S1361 WeakPolarHBondContact CG-OG 3.41Å; Q1258-S1361 PolarHBondContact NE2-O 3.36Å |
| 1259 | L | 66.5 | Low | 64 | Low | 23 Ų | 23 | 53.7 Ų | 53.7 | 12% | 0.12 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.8 | -34.6 | 168 | -60.6 | -179.6 | 0 | 0 | 0 | 112.4 | T1198 F1255 H1256 G1263 L1273 V1276 I1285 | T1198-L1259 HydrophobicContact CG2-CD1 4.15Å; F1255-L1259 HydrophobicContact CD1-CD1 3.95Å; F1255-L1259 HydrophobicContact CD1-CG 4.44Å; F1255-L1259 HydrophobicContact CE1-CD1 3.68Å; F1255-L1259 HydrophobicContact CE1-CG 4.37Å; F1255-L1259 PolarHBondContact O-N 2.69Å; F1255-L1259 VanDerWaalsContact O-N 3.1Å; H1256-L1259 CarbonylContact O-C 3.59Å; H1256-L1259 WeakPolarHBondContact O-CA 3.38Å; H1256-L1259 WeakPolarHBondContact O-CB 3.4Å; H1256-L1259 PolarHBondContact O-N 2.56Å; L1259-G1263 VanDerWaalsContact O-CA 3.25Å; L1259-G1263 WeakPolarHBondContact O-CA 3.45Å; L1259-G1263 PolarHBondContact O-N 3.4Å; L1259-L1273 HydrophobicContact CD2-CD2 3.97Å; L1259-V1276 HydrophobicContact CD2-CG1 3.57Å; L1259-I1285 HydrophobicContact CD2-CD1 3.94Å; L1259-I1285 HydrophobicContact CD2-CG1 4.21Å; L1259-I1285 HydrophobicContact CG-CD1 4.31Å |
| 1260 | E | 59.2 | Low | 65.9 | Low | 118 Ų | 118 | 49.7 Ų | 49.7 | 55% | 0.551 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -66.2 | -44.8 | 172.7 | -72.8 | 171.3 | 178 | 0 | 0 | 111.7 | H1256 | H1256-E1260 WeakPolarHBondContact O-CG 3.46Å; H1256-E1260 PolarHBondContact O-N 2.7Å |
| 1261 | L | 61.2 | Low | 67.5 | Low | 13 Ų | 13 | 45.1 Ų | 45.1 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.5 | -48.5 | 178 | -177.6 | 71.2 | 0 | 0 | 0 | 112.2 | R1257 S1265 L1334 C1339 S1361 | R1257-L1261 WeakPolarHBondContact O-CB 3.46Å; R1257-L1261 PolarHBondContact O-N 2.76Å; L1261-S1265 WeakPolarHBondContact O-CB 3.37Å; L1261-S1265 PolarHBondContact O-OG 3.07Å; L1261-L1334 HydrophobicContact CD1-CD1 4.39Å; L1261-L1334 HydrophobicContact CD1-CD2 3.66Å; L1261-C1339 WeakPolarHBondContact CD1-SG 3.41Å; L1261-S1361 WeakPolarHBondContact CD2-OG 3.37Å |
| 1262 | F | 67.1 | Low | 68.8 | Low | 3 Ų | 3 | 47.6 Ų | 47.6 | 1% | 0.013 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -97 | -22.6 | -168 | -56.5 | -55 | 0 | 0 | 0 | 114.4 | Q1258 Q1264 S1265 V1270 T1271 L1273 L1287 S1361 | Q1258-F1262 HydrophobicContact CB-CD2 4.17Å; Q1258-F1262 HydrophobicContact CB-CE2 4.24Å; Q1258-F1262 WeakPolarHBondContact O-CB 3.2Å; Q1258-F1262 WeakPolarHBondContact O-CD2 3.45Å; Q1258-F1262 WeakPolarHBondContact O-CG 3.4Å; Q1258-F1262 PolarHBondContact O-N 3.5Å; F1262-Q1264 VanDerWaalsContact C-N 3.25Å; F1262-Q1264 PolarHBondContact O-N 2.8Å; F1262-S1265 WeakPolarHBondContact CA-OG 3.29Å; F1262-S1265 PolarHBondContact O-N 2.92Å; F1262-S1265 PolarHBondContact O-OG 2.89Å; F1262-V1270 HydrophobicContact CD1-CG1 4.47Å; F1262-T1271 WeakPolarHBondContact CD1-O 3.4Å; F1262-L1273 HydrophobicContact CB-CB 3.78Å; F1262-L1273 WeakPolarHBondContact O-CB 3.26Å; F1262-L1287 HydrophobicContact CD2-CD2 3.9Å; F1262-L1287 HydrophobicContact CE2-CD1 4.06Å; F1262-L1287 HydrophobicContact CE2-CD2 4.23Å; F1262-L1287 HydrophobicContact CG-CD2 4.28Å; F1262-L1287 HydrophobicContact CZ-CD1 4.48Å; F1262-S1361 WeakPolarHBondContact CE2-OG 3.25Å; F1262-S1361 WeakPolarHBondContact CZ-OG 3.49Å |
| 1263 | G | 62.7 | Low | 70 | Confident | 36 Ų | 36 | 45.5 Ų | 45.5 | 37% | 0.371 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -77 | -7.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1259 | L1259-G1263 VanDerWaalsContact O-CA 3.25Å; L1259-G1263 WeakPolarHBondContact O-CA 3.45Å; L1259-G1263 PolarHBondContact O-N 3.4Å |
| 1264 | Q | 59 | Low | 71.5 | Confident | 109 Ų | 109 | 41.6 Ų | 41.6 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -117.2 | -3.9 | 173 | -61.3 | -172.4 | -3.7 | 0 | 0 | 113 | F1262 Y1333 M1337 | F1262-Q1264 VanDerWaalsContact C-N 3.25Å; F1262-Q1264 PolarHBondContact O-N 2.8Å; Q1264-Y1333 PolarHBondContact O-OH 3.06Å; Q1264-M1337 HydrophobicContact CB-CE 4.1Å |
| 1265 | S | 60.6 | Low | 72.7 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | trans | -98.3 | 109.8 | -177.3 | 68.2 | 0 | 0 | 0 | 0 | 112.3 | L1261 F1262 Y1333 | L1261-S1265 WeakPolarHBondContact O-CB 3.37Å; L1261-S1265 PolarHBondContact O-OG 3.07Å; F1262-S1265 WeakPolarHBondContact CA-OG 3.29Å; F1262-S1265 PolarHBondContact O-N 2.92Å; F1262-S1265 PolarHBondContact O-OG 2.89Å; S1265-Y1333 WeakPolarHBondContact CA-OH 3.46Å | ||
| 1266 | D | 71.2 | Confident | 73.7 | Confident | 107 Ų | 107 | 39.8 Ų | 39.8 | 57% | 0.572 | 20% | 0.197 | S | C | * | . | trans | -121.2 | 97.3 | 159.5 | -169.4 | 36.4 | 0 | 0 | 0 | 108.4 | R1272 Y1333 | D1266-R1272 IonicContact OD1-CZ 3.73Å; D1266-R1272 IonicContact OD1-NE 2.77Å; D1266-R1272 PolarHBondContact OD1-NE 2.78Å; D1266-R1272 IonicContact OD1-NH2 3.84Å; D1266-R1272 PolarHBondContact OD1-NH2 3.29Å; D1266-Y1333 PolarHBondContact N-OH 2.77Å | ||
| 1267 | H | 85.2 | Confident | 74.7 | Confident | 45 Ų | 45 | 38.3 Ų | 38.3 | 21% | 0.208 | 19% | 0.191 | C | C | . | . | trans | -158.8 | 133.2 | -177.1 | 176.5 | -96.1 | 0 | 0 | 0 | 108.6 | Y1269 V1270 Y1333 | H1267-Y1269 AromaticContact CE1-CD2 3.75Å; H1267-Y1269 PolarHBondContact ND1-N 2.99Å; H1267-Y1269 PolarHBondContact O-N 3.12Å; H1267-V1270 HydrophobicContact CB-CG2 4.48Å; H1267-V1270 PolarHBondContact O-N 3.05Å; H1267-Y1333 HydrophobicContact CB-CD1 3.59Å; H1267-Y1333 HydrophobicContact CB-CD2 3.83Å; H1267-Y1333 HydrophobicContact CB-CE1 3.63Å; H1267-Y1333 HydrophobicContact CB-CE2 3.86Å; H1267-Y1333 HydrophobicContact CB-CG 3.68Å; H1267-Y1333 AromaticContact CD2-CD2 3.69Å; H1267-Y1333 AromaticContact CD2-CG 3.72Å; H1267-Y1333 AromaticContact CG-CD1 3.87Å; H1267-Y1333 AromaticContact CG-CD2 3.84Å; H1267-Y1333 AromaticContact CG-CG 3.55Å | ||
| 1268 | D | 87.4 | Confident | 75.3 | Confident | 104 Ų | 104 | 38 Ų | 38 | 56% | 0.556 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -36.3 | -166.7 | -59.5 | -40.5 | 0 | 0 | 0 | 113.8 | K1358 | D1268-K1358 VanDerWaalsContact O-CD 3.23Å; D1268-K1358 WeakPolarHBondContact O-CD 3.42Å; D1268-K1358 WeakPolarHBondContact O-CE 3.33Å; D1268-K1358 PolarHBondContact O-NZ 2.89Å |
| 1269 | Y | 92.4 | Very high | 75.4 | Confident | 58 Ų | 58 | 42.1 Ų | 42.1 | 23% | 0.227 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 14.3 | -176.7 | -47.9 | -58.1 | 0 | 0 | 0 | 116 | H1267 Q1326 L1329 V1357 I1359 | H1267-Y1269 AromaticContact CE1-CD2 3.75Å; H1267-Y1269 PolarHBondContact ND1-N 2.99Å; H1267-Y1269 PolarHBondContact O-N 3.12Å; Y1269-Q1326 HydrophobicContact CD1-CB 3.7Å; Y1269-Q1326 HydrophobicContact CD1-CG 3.92Å; Y1269-Q1326 HydrophobicContact CD2-CB 4.25Å; Y1269-Q1326 HydrophobicContact CE1-CB 3.84Å; Y1269-Q1326 HydrophobicContact CE1-CG 3.5Å; Y1269-Q1326 VanDerWaalsContact CE1-OE1 3.27Å; Y1269-Q1326 HydrophobicContact CE2-CB 4.39Å; Y1269-Q1326 HydrophobicContact CE2-CG 4.33Å; Y1269-Q1326 HydrophobicContact CG-CB 3.92Å; Y1269-Q1326 HydrophobicContact CG-CG 4.48Å; Y1269-L1329 HydrophobicContact CD2-CB 3.9Å; Y1269-L1329 HydrophobicContact CD2-CD1 4.4Å; Y1269-L1329 HydrophobicContact CE2-CB 4.23Å; Y1269-L1329 HydrophobicContact CE2-CD1 3.9Å; Y1269-V1357 CarbonylContact C-O 3.56Å; Y1269-V1357 WeakPolarHBondContact CA-O 3.29Å; Y1269-I1359 WeakPolarHBondContact O-CG1 3.32Å; Y1269-I1359 PolarHBondContact O-N 3.17Å |
| 1270 | V | 87.7 | Confident | 75.3 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -119.4 | 145.3 | 171.5 | -177 | 0 | 0 | 0 | 0 | 108.8 | F1262 H1267 R1272 Y1333 L1334 | F1262-V1270 HydrophobicContact CD1-CG1 4.47Å; H1267-V1270 HydrophobicContact CB-CG2 4.48Å; H1267-V1270 PolarHBondContact O-N 3.05Å; V1270-R1272 PolarHBondContact O-N 3.48Å; V1270-Y1333 HydrophobicContact CG2-CD1 4.11Å; V1270-L1334 HydrophobicContact CG1-CD2 4.36Å; V1270-L1334 HydrophobicContact CG2-CD1 4.31Å; V1270-L1334 HydrophobicContact CG2-CD2 4.26Å; V1270-L1334 HydrophobicContact CG2-CG 4.06Å |
| 1271 | T | 85 | Confident | 75.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -69 | 116.5 | -178.4 | -46.3 | 0 | 0 | 0 | 0 | 110.8 | F1262 L1287 E1288 L1350 I1359 S1360 | F1262-T1271 WeakPolarHBondContact CD1-O 3.4Å; T1271-L1287 HydrophobicContact CG2-CB 4Å; T1271-L1287 HydrophobicContact CG2-CD1 4.3Å; T1271-E1288 WeakPolarHBondContact CA-OE1 3.49Å; T1271-E1288 HydrophobicContact CG2-CG 4Å; T1271-L1350 HydrophobicContact CG2-CD1 4.43Å; T1271-I1359 PolarHBondContact N-O 2.97Å; T1271-I1359 PolarHBondContact OG1-O 3.06Å; T1271-S1360 WeakPolarHBondContact CB-OG 3.37Å; T1271-S1360 WeakPolarHBondContact OG1-CB 3.45Å; T1271-S1360 PolarHBondContact OG1-OG 3.17Å | ||
| 1272 | R | 83 | Confident | 76 | Confident | 77 Ų | 77 | 48.5 Ų | 48.5 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | trans | -71.1 | 134.4 | -179.6 | -171 | 178.3 | -70 | 116.9 | -6.2 | 112.2 | D1266 V1270 L1274 E1288 | D1266-R1272 IonicContact OD1-CZ 3.73Å; D1266-R1272 IonicContact OD1-NE 2.77Å; D1266-R1272 PolarHBondContact OD1-NE 2.78Å; D1266-R1272 IonicContact OD1-NH2 3.84Å; D1266-R1272 PolarHBondContact OD1-NH2 3.29Å; V1270-R1272 PolarHBondContact O-N 3.48Å; R1272-L1274 HydrophobicContact CG-CD2 4.18Å; R1272-E1288 HydrophobicContact CB-CG 4.47Å; R1272-E1288 PolarHBondContact N-OE1 2.9Å; R1272-E1288 IonicContact NH1-OE2 2.73Å; R1272-E1288 PolarHBondContact O-N 3.11Å | ||
| 1273 | L | 82.7 | Confident | 76.5 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 114.5 | 165.6 | -177 | 61.5 | 0 | 0 | 0 | 109.8 | M1201 L1259 F1262 G1275 V1276 I1285 L1287 | M1201-L1273 HydrophobicContact CE-CB 4.03Å; M1201-L1273 HydrophobicContact CE-CD2 3.74Å; M1201-L1273 HydrophobicContact CE-CG 3.61Å; M1201-L1273 WeakPolarHBondContact CE-O 3.13Å; M1201-L1273 HydrophobicContact SD-CD2 3.67Å; M1201-L1273 HydrophobicContact SD-CG 4.22Å; L1259-L1273 HydrophobicContact CD2-CD2 3.97Å; F1262-L1273 HydrophobicContact CB-CB 3.78Å; F1262-L1273 WeakPolarHBondContact O-CB 3.26Å; L1273-G1275 WeakPolarHBondContact CD1-O 3.47Å; L1273-V1276 HydrophobicContact CD1-CG1 4.41Å; L1273-I1285 HydrophobicContact CD1-CG2 3.38Å; L1273-L1287 HydrophobicContact CB-CD2 4.44Å; L1273-L1287 HydrophobicContact CD1-CD2 3.89Å |
| 1274 | L | 84.6 | Confident | 77.6 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -23 | 177.9 | -59.4 | -179.7 | 0 | 0 | 0 | 112.5 | I1230 Q1231 V1239 R1272 L1286 E1288 | I1230-L1274 HydrophobicContact CD1-CB 3.71Å; I1230-L1274 HydrophobicContact CG1-CB 4.08Å; Q1231-L1274 HydrophobicContact CG-CD2 4.46Å; V1239-L1274 HydrophobicContact CG1-CD1 3.69Å; R1272-L1274 HydrophobicContact CG-CD2 4.18Å; L1274-L1286 PolarHBondContact N-O 3.01Å; L1274-E1288 HydrophobicContact CD1-CB 4.19Å; L1274-E1288 HydrophobicContact CG-CB 4.49Å |
| 1275 | G | 82.2 | Confident | 78.7 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.5 | -177.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | M1201 L1273 L1286 | M1201-G1275 CarbonylContact O-C 3.55Å; M1201-G1275 WeakPolarHBondContact O-CA 3.21Å; L1273-G1275 WeakPolarHBondContact CD1-O 3.47Å; G1275-L1286 PolarHBondContact N-O 2.67Å; G1275-L1286 WeakPolarHBondContact O-CB 3.37Å; G1275-L1286 PolarHBondContact O-N 3.14Å |
| 1276 | V | 84.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 141.9 | 174.5 | -67.5 | 0 | 0 | 0 | 0 | 110.9 | M1201 N1202 Y1203 L1259 L1273 M1278 Y1284 | M1201-V1276 HydrophobicContact CB-CG2 4.22Å; M1201-V1276 PolarHBondContact O-N 2.85Å; N1202-V1276 CarbonylContact C-O 3.43Å; N1202-V1276 WeakPolarHBondContact CA-O 3.37Å; Y1203-V1276 PolarHBondContact N-O 3.17Å; L1259-V1276 HydrophobicContact CD2-CG1 3.57Å; L1273-V1276 HydrophobicContact CD1-CG1 4.41Å; V1276-M1278 HydrophobicContact CB-CG 4.25Å; V1276-M1278 HydrophobicContact CB-SD 4.27Å; V1276-M1278 HydrophobicContact CG2-CG 3.9Å; V1276-M1278 HydrophobicContact CG2-SD 4.46Å; V1276-Y1284 CarbonylContact C-O 3.48Å; V1276-Y1284 WeakPolarHBondContact CA-O 3.28Å; V1276-Y1284 WeakPolarHBondContact CB-O 3.46Å |
| 1277 | C | 82.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 97.1 | 168.2 | -59.5 | 0 | 0 | 0 | 0 | 110.1 | Y1203 R1205 L1208 Y1284 | Y1203-C1277 PolarHBondContact O-SG 3.08Å; R1205-C1277 HydrophobicContact CB-CB 4.49Å; L1208-C1277 VanDerWaalsContact CD1-SG 3.56Å; C1277-Y1284 HydrophobicContact CB-CD2 3.83Å; C1277-Y1284 HydrophobicContact CB-CG 4.18Å; C1277-Y1284 PolarHBondContact N-O 2.85Å; C1277-Y1284 PolarHBondContact O-N 3.46Å; C1277-Y1284 VanDerWaalsContact O-N 3.14Å |
| 1278 | M | 73.5 | Confident | 80.7 | Confident | 55 Ų | 55 | 38.7 Ų | 38.7 | 27% | 0.271 | 18% | 0.184 | S | C | . | . | trans | -95.8 | -0.9 | 176.5 | -52.6 | -58.2 | -70.6 | 0 | 0 | 113.6 | N1202 F1255 V1276 Q1280 F1283 | N1202-M1278 WeakPolarHBondContact OD1-CB 3.24Å; N1202-M1278 VanDerWaalsContact OD1-CG 3.3Å; N1202-M1278 WeakPolarHBondContact OD1-CG 3.42Å; F1255-M1278 HydrophobicContact CE1-CE 4.15Å; F1255-M1278 HydrophobicContact CE1-SD 4.14Å; F1255-M1278 HydrophobicContact CZ-CE 4.44Å; F1255-M1278 HydrophobicContact CZ-SD 3.96Å; V1276-M1278 HydrophobicContact CB-CG 4.25Å; V1276-M1278 HydrophobicContact CB-SD 4.27Å; V1276-M1278 HydrophobicContact CG2-CG 3.9Å; V1276-M1278 HydrophobicContact CG2-SD 4.46Å; M1278-Q1280 VanDerWaalsContact C-N 3.27Å; M1278-Q1280 PolarHBondContact O-N 3.45Å; M1278-F1283 HydrophobicContact CE-CB 4.3Å; M1278-F1283 HydrophobicContact CE-CD1 4.19Å; M1278-F1283 HydrophobicContact CE-CD2 3.91Å; M1278-F1283 HydrophobicContact CE-CE2 4.29Å; M1278-F1283 HydrophobicContact CE-CG 3.87Å; M1278-F1283 WeakPolarHBondContact O-CE1 3.49Å; M1278-F1283 HydrophobicContact SD-CB 3.94Å; M1278-F1283 HydrophobicContact SD-CD1 4.3Å; M1278-F1283 HydrophobicContact SD-CG 4.05Å | ||
| 1279 | E | 65.2 | Low | 80.6 | Confident | 86 Ų | 86 | 35.1 Ų | 35.1 | 40% | 0.402 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -56.8 | -35.8 | -178 | -75.7 | -170.2 | -95 | 0 | 0 | 114.5 | R616 P1204 R1205 | R616-E1279 IonicContact CZ-OE2 2.86Å; R616-E1279 IonicContact NH1-OE1 2.79Å; R616-E1279 IonicContact NH1-OE2 2.7Å; R616-E1279 PolarHBondContact NH1-OE2 2.85Å; P1204-E1279 WeakPolarHBondContact CA-OE1 3.49Å; R1205-E1279 PolarHBondContact N-OE1 2.96Å |
| 1280 | Q | 64.4 | Low | 80.2 | Confident | 121 Ų | 121 | 32.6 Ų | 32.6 | 57% | 0.565 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -158.8 | 141.7 | -169 | -172.9 | -162.3 | 22.8 | 0 | 0 | 109.5 | R1205 M1278 | R1205-Q1280 VanDerWaalsContact CZ-O 3.24Å; R1205-Q1280 PolarHBondContact NH1-O 2.63Å; R1205-Q1280 VanDerWaalsContact NH1-O 3.15Å; R1205-Q1280 PolarHBondContact NH2-O 3.43Å; M1278-Q1280 VanDerWaalsContact C-N 3.27Å; M1278-Q1280 PolarHBondContact O-N 3.45Å |
| 1281 | E | 65.2 | Low | 79.8 | Confident | 113 Ų | 113 | 35.6 Ų | 35.6 | 53% | 0.528 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -66.5 | 160 | 171.6 | -71.5 | 175 | 174.3 | 0 | 0 | 112.1 | R1205 C1247 F1283 | R1205-E1281 PolarHBondContact NH1-O 2.93Å; C1247-E1281 PolarHBondContact SG-OE1 3.36Å; C1247-E1281 VanDerWaalsContact SG-OE1 3.42Å; E1281-F1283 HydrophobicContact CG-CD1 4.27Å; E1281-F1283 HydrophobicContact CG-CD2 4.47Å; E1281-F1283 HydrophobicContact CG-CE1 3.77Å; E1281-F1283 HydrophobicContact CG-CE2 3.97Å; E1281-F1283 HydrophobicContact CG-CZ 3.59Å |
| 1282 | P | 70.3 | Confident | 79.5 | Confident | 55 Ų | 55 | 37.8 Ų | 37.8 | 36% | 0.357 | 18% | 0.176 | S | C | . | . | S | Bend | cis | -63.1 | 135 | -18.6 | 28.9 | -33.9 | 0 | 0 | 0 | 109.6 | R1205 L1244 Y1284 | R1205-P1282 PolarHBondContact NH2-O 3.08Å; L1244-P1282 WeakPolarHBondContact O-CB 3.38Å; P1282-Y1284 HydrophobicContact CG-CE1 4.14Å; P1282-Y1284 WeakPolarHBondContact O-CD1 3.17Å; P1282-Y1284 WeakPolarHBondContact O-CE1 3.4Å |
| 1283 | F | 77.8 | Confident | 79.3 | Confident | 45 Ų | 45 | 35.2 Ų | 35.2 | 20% | 0.197 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 150.6 | -176.5 | -57.4 | -50.6 | 0 | 0 | 0 | 111.5 | S1243 L1244 F1255 M1278 E1281 | S1243-F1283 CarbonylContact C-O 3.19Å; S1243-F1283 WeakPolarHBondContact CA-O 3.27Å; L1244-F1283 HydrophobicContact CD2-CD2 4.2Å; L1244-F1283 PolarHBondContact N-O 3.17Å; F1255-F1283 HydrophobicContact CE2-CB 4.13Å; F1255-F1283 HydrophobicContact CZ-CB 3.86Å; M1278-F1283 HydrophobicContact CE-CB 4.3Å; M1278-F1283 HydrophobicContact CE-CD1 4.19Å; M1278-F1283 HydrophobicContact CE-CD2 3.91Å; M1278-F1283 HydrophobicContact CE-CE2 4.29Å; M1278-F1283 HydrophobicContact CE-CG 3.87Å; M1278-F1283 WeakPolarHBondContact O-CE1 3.49Å; M1278-F1283 HydrophobicContact SD-CB 3.94Å; M1278-F1283 HydrophobicContact SD-CD1 4.3Å; M1278-F1283 HydrophobicContact SD-CG 4.05Å; E1281-F1283 HydrophobicContact CG-CD1 4.27Å; E1281-F1283 HydrophobicContact CG-CD2 4.47Å; E1281-F1283 HydrophobicContact CG-CE1 3.77Å; E1281-F1283 HydrophobicContact CG-CE2 3.97Å; E1281-F1283 HydrophobicContact CG-CZ 3.59Å |
| 1284 | Y | 84.4 | Confident | 79.4 | Confident | 31 Ų | 31 | 36.1 Ų | 36.1 | 12% | 0.122 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 142.2 | -179.2 | -57.4 | -31.7 | 0 | 0 | 0 | 113.3 | L1208 M1210 V1241 K1242 V1276 C1277 P1282 | L1208-Y1284 HydrophobicContact CD1-CD2 3.72Å; L1208-Y1284 HydrophobicContact CD1-CE2 4.21Å; M1210-Y1284 HydrophobicContact CE-CE2 4.3Å; V1241-Y1284 HydrophobicContact CG1-CD1 3.94Å; V1241-Y1284 HydrophobicContact CG1-CD2 3.77Å; V1241-Y1284 HydrophobicContact CG1-CE2 4.38Å; V1241-Y1284 HydrophobicContact CG1-CG 3.53Å; K1242-Y1284 CarbonylContact O-C 3.6Å; K1242-Y1284 VanDerWaalsContact O-CA 3.23Å; K1242-Y1284 WeakPolarHBondContact O-CA 3.28Å; V1276-Y1284 CarbonylContact C-O 3.48Å; V1276-Y1284 WeakPolarHBondContact CA-O 3.28Å; V1276-Y1284 WeakPolarHBondContact CB-O 3.46Å; C1277-Y1284 HydrophobicContact CB-CD2 3.83Å; C1277-Y1284 HydrophobicContact CB-CG 4.18Å; C1277-Y1284 PolarHBondContact N-O 2.85Å; C1277-Y1284 PolarHBondContact O-N 3.46Å; C1277-Y1284 VanDerWaalsContact O-N 3.14Å; P1282-Y1284 HydrophobicContact CG-CE1 4.14Å; P1282-Y1284 WeakPolarHBondContact O-CD1 3.17Å; P1282-Y1284 WeakPolarHBondContact O-CE1 3.4Å |
| 1285 | I | 81.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 129.9 | 162.1 | -55.3 | -173.3 | 0 | 0 | 0 | 107.5 | V1241 K1242 F1255 Q1258 L1259 L1273 L1287 | V1241-I1285 CarbonylContact C-O 3.57Å; V1241-I1285 WeakPolarHBondContact CA-O 3.43Å; K1242-I1285 HydrophobicContact CB-CB 4.28Å; K1242-I1285 HydrophobicContact CD-CD1 4.32Å; K1242-I1285 PolarHBondContact N-O 3.38Å; K1242-I1285 PolarHBondContact O-N 2.96Å; F1255-I1285 HydrophobicContact CD2-CD1 3.73Å; F1255-I1285 HydrophobicContact CD2-CG1 3.97Å; F1255-I1285 HydrophobicContact CE2-CD1 3.73Å; F1255-I1285 HydrophobicContact CE2-CG1 3.42Å; F1255-I1285 VanDerWaalsContact CE2-CG1 3.42Å; F1255-I1285 HydrophobicContact CG-CD1 4.2Å; F1255-I1285 HydrophobicContact CZ-CD1 4.17Å; F1255-I1285 HydrophobicContact CZ-CG1 3.76Å; Q1258-I1285 HydrophobicContact CB-CD1 4.18Å; L1259-I1285 HydrophobicContact CD2-CD1 3.94Å; L1259-I1285 HydrophobicContact CD2-CG1 4.21Å; L1259-I1285 HydrophobicContact CG-CD1 4.31Å; L1273-I1285 HydrophobicContact CD1-CG2 3.38Å; I1285-L1287 HydrophobicContact CG2-CD2 3.85Å; I1285-L1287 HydrophobicContact CG2-CG 4.11Å |
| 1286 | L | 87.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.9 | -179.1 | -69 | 67 | 0 | 0 | 0 | 108.7 | Y1203 L1208 I1230 L1240 L1274 G1275 | Y1203-L1286 HydrophobicContact CD1-CD2 3.55Å; Y1203-L1286 HydrophobicContact CD2-CD2 4.43Å; Y1203-L1286 HydrophobicContact CE1-CD2 4.18Å; Y1203-L1286 HydrophobicContact CG-CD2 3.69Å; L1208-L1286 HydrophobicContact CD1-CD1 4.3Å; L1208-L1286 HydrophobicContact CD1-CD2 4.2Å; L1208-L1286 HydrophobicContact CD1-CG 4.38Å; L1208-L1286 HydrophobicContact CD2-CD2 3.81Å; L1208-L1286 HydrophobicContact CD2-CG 4.39Å; L1208-L1286 HydrophobicContact CG-CD2 4.22Å; I1230-L1286 HydrophobicContact CD1-CB 4.26Å; I1230-L1286 HydrophobicContact CD1-CD2 3.48Å; I1230-L1286 VanDerWaalsContact CD1-CD2 3.48Å; L1240-L1286 CarbonylContact O-C 3.49Å; L1240-L1286 WeakPolarHBondContact O-CA 3.29Å; L1274-L1286 PolarHBondContact N-O 3.01Å; G1275-L1286 PolarHBondContact N-O 2.67Å; G1275-L1286 WeakPolarHBondContact O-CB 3.37Å; G1275-L1286 PolarHBondContact O-N 3.14Å |
| 1287 | L | 86.1 | Confident | 79.6 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 159.6 | -179.7 | -56.3 | 175.6 | 0 | 0 | 0 | 110.5 | V1239 L1240 F1262 T1271 L1273 I1285 L1362 | V1239-L1287 WeakPolarHBondContact CA-O 3.34Å; L1240-L1287 HydrophobicContact CB-CB 4.21Å; L1240-L1287 PolarHBondContact N-O 2.95Å; L1240-L1287 PolarHBondContact O-N 3.17Å; F1262-L1287 HydrophobicContact CD2-CD2 3.9Å; F1262-L1287 HydrophobicContact CE2-CD1 4.06Å; F1262-L1287 HydrophobicContact CE2-CD2 4.23Å; F1262-L1287 HydrophobicContact CG-CD2 4.28Å; F1262-L1287 HydrophobicContact CZ-CD1 4.48Å; T1271-L1287 HydrophobicContact CG2-CB 4Å; T1271-L1287 HydrophobicContact CG2-CD1 4.3Å; L1273-L1287 HydrophobicContact CB-CD2 4.44Å; L1273-L1287 HydrophobicContact CD1-CD2 3.89Å; I1285-L1287 HydrophobicContact CG2-CD2 3.85Å; I1285-L1287 HydrophobicContact CG2-CG 4.11Å; L1287-L1362 HydrophobicContact CD1-CD2 3.72Å |
| 1288 | E | 86.3 | Confident | 79.8 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 141.2 | 172.7 | 69.3 | -172 | 145.2 | 0 | 0 | 112.2 | T1271 R1272 L1274 K1358 | T1271-E1288 WeakPolarHBondContact CA-OE1 3.49Å; T1271-E1288 HydrophobicContact CG2-CG 4Å; R1272-E1288 HydrophobicContact CB-CG 4.47Å; R1272-E1288 PolarHBondContact N-OE1 2.9Å; R1272-E1288 IonicContact NH1-OE2 2.73Å; R1272-E1288 PolarHBondContact O-N 3.11Å; L1274-E1288 HydrophobicContact CD1-CB 4.19Å; L1274-E1288 HydrophobicContact CG-CB 4.49Å; E1288-K1358 WeakPolarHBondContact OE1-CD 3.19Å; E1288-K1358 VanDerWaalsContact OE1-CE 3.25Å; E1288-K1358 WeakPolarHBondContact OE1-CE 3.34Å; E1288-K1358 IonicContact OE1-NZ 2.71Å; E1288-K1358 PolarHBondContact OE1-NZ 3.48Å; E1288-K1358 WeakPolarHBondContact OE2-CE 3.49Å; E1288-K1358 IonicContact OE2-NZ 3.96Å; E1288-K1358 PolarHBondContact OE2-NZ 3.44Å |
| 1289 | Y | 86.1 | Confident | 80.5 | Confident | 30 Ų | 30 | 36 Ų | 36 | 12% | 0.118 | 18% | 0.175 | C | C | . | . | trans | -85.5 | 125.1 | 179.1 | 177.6 | -105.9 | 0 | 0 | 0 | 111.2 | K749 I750 L1214 L1224 L1238 L1240 E1291 | K749-Y1289 PolarHBondContact O-OH 2.7Å; I750-Y1289 HydrophobicContact CD1-CE1 3.84Å; I750-Y1289 HydrophobicContact CG1-CE1 4.05Å; I750-Y1289 WeakPolarHBondContact CG1-OH 3.12Å; L1214-Y1289 HydrophobicContact CD1-CE2 4.33Å; L1224-Y1289 HydrophobicContact CD1-CD2 3.46Å; L1224-Y1289 VanDerWaalsContact CD1-CD2 3.46Å; L1224-Y1289 HydrophobicContact CD1-CE2 3.64Å; L1224-Y1289 HydrophobicContact CD1-CG 3.96Å; L1238-Y1289 HydrophobicContact CB-CD1 4.25Å; L1238-Y1289 HydrophobicContact CB-CG 4.33Å; L1238-Y1289 HydrophobicContact CD1-CD1 4.35Å; L1238-Y1289 WeakPolarHBondContact O-CB 3.39Å; L1240-Y1289 HydrophobicContact CD2-CD2 3.76Å; L1240-Y1289 HydrophobicContact CD2-CE2 4.29Å; L1240-Y1289 HydrophobicContact CG-CD2 4.01Å; Y1289-E1291 HydrophobicContact CD1-CG 4.26Å; Y1289-E1291 HydrophobicContact CE1-CB 4.29Å; Y1289-E1291 HydrophobicContact CE1-CG 3.96Å | ||
| 1290 | C | 82.9 | Confident | 81.3 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | trans | -106.8 | 115.4 | 178.8 | -58 | 0 | 0 | 0 | 0 | 109.7 | W1292 G1293 L1350 L1351 | C1290-W1292 PolarHBondContact O-N 3.26Å; C1290-G1293 PolarHBondContact O-N 2.94Å; C1290-L1350 HydrophobicContact CB-CB 3.73Å; C1290-L1350 HydrophobicContact CB-CD1 4.24Å; C1290-L1351 CarbonylContact C-O 3.49Å; C1290-L1351 WeakPolarHBondContact CB-O 3.4Å | ||
| 1291 | E | 80.3 | Confident | 81.8 | Confident | 65 Ų | 65 | 30.5 Ų | 30.5 | 30% | 0.304 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -29.7 | -163.5 | -55.2 | 87.8 | 162.1 | 0 | 0 | 114 | K749 Y1289 G1293 T1352 Q1353 | K749-E1291 WeakPolarHBondContact CD-O 3.21Å; Y1289-E1291 HydrophobicContact CD1-CG 4.26Å; Y1289-E1291 HydrophobicContact CE1-CB 4.29Å; Y1289-E1291 HydrophobicContact CE1-CG 3.96Å; E1291-G1293 VanDerWaalsContact C-N 3.33Å; E1291-T1352 VanDerWaalsContact OE2-CA 3.25Å; E1291-T1352 WeakPolarHBondContact OE2-CA 3.34Å; E1291-Q1353 HydrophobicContact CB-CB 4.19Å; E1291-Q1353 HydrophobicContact CG-CB 4.27Å; E1291-Q1353 PolarHBondContact OE2-N 2.79Å |
| 1292 | W | 79.3 | Confident | 82.4 | Confident | 47 Ų | 47 | 25.8 Ų | 25.8 | 18% | 0.178 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -1 | 174.6 | -67.7 | 132.2 | 0 | 0 | 0 | 113.3 | K749 P1137 C1290 F1298 M1312 L1351 Q1353 | K749-W1292 HydrophobicContact CD-CE3 4.01Å; K749-W1292 WeakPolarHBondContact CD-O 3Å; K749-W1292 WeakPolarHBondContact CE-O 3.49Å; K749-W1292 PolarHBondContact NZ-O 2.94Å; P1137-W1292 HydrophobicContact CG-CZ3 4.22Å; C1290-W1292 PolarHBondContact O-N 3.26Å; W1292-F1298 HydrophobicContact CB-CD2 4.16Å; W1292-F1298 HydrophobicContact CD2-CD2 4.42Å; W1292-F1298 HydrophobicContact CD2-CE2 4.19Å; W1292-F1298 HydrophobicContact CG-CD2 4.21Å; W1292-F1298 HydrophobicContact CG-CE2 4.14Å; W1292-M1312 HydrophobicContact CH2-CE 4.17Å; W1292-M1312 HydrophobicContact CZ2-CE 4.25Å; W1292-L1351 WeakPolarHBondContact CA-O 3.39Å; W1292-L1351 HydrophobicContact CB-CB 3.99Å; W1292-L1351 HydrophobicContact CB-CD2 3.97Å; W1292-L1351 HydrophobicContact CB-CG 4.2Å; W1292-L1351 WeakPolarHBondContact CB-O 3.31Å; W1292-L1351 HydrophobicContact CG-CD2 4.33Å; W1292-L1351 PolarHBondContact N-O 2.9Å; W1292-Q1353 PolarHBondContact NE1-O 3.4Å; W1292-Q1353 VanDerWaalsContact NE1-O 3.14Å |
| 1293 | G | 78.1 | Confident | 82.6 | Confident | 22 Ų | 22 | 28.7 Ų | 28.7 | 23% | 0.227 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 65 | -144.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1290 E1291 L1350 L1351 | C1290-G1293 PolarHBondContact O-N 2.94Å; E1291-G1293 VanDerWaalsContact C-N 3.33Å; G1293-L1350 CarbonylContact O-C 3.51Å; G1293-L1350 VanDerWaalsContact O-CA 3.24Å; G1293-L1350 WeakPolarHBondContact O-CA 3.42Å; G1293-L1351 PolarHBondContact O-N 2.88Å |
| 1294 | D | 84 | Confident | 82 | Confident | 32 Ų | 32 | 32.6 Ų | 32.6 | 17% | 0.171 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 143.6 | -179.4 | 78.8 | 88.9 | 0 | 0 | 0 | 113.9 | K1296 Q1297 F1298 V1349 L1350 Y1369 | D1294-K1296 VanDerWaalsContact C-N 3.27Å; D1294-K1296 PolarHBondContact O-N 3.28Å; D1294-K1296 WeakPolarHBondContact OD1-CA 3.42Å; D1294-K1296 VanDerWaalsContact OD1-CB 3.3Å; D1294-K1296 WeakPolarHBondContact OD1-CB 3.48Å; D1294-K1296 PolarHBondContact OD1-N 3.33Å; D1294-K1296 VanDerWaalsContact OD1-N 3.12Å; D1294-Q1297 PolarHBondContact O-N 3.34Å; D1294-Q1297 PolarHBondContact OD1-N 3.3Å; D1294-Q1297 WeakPolarHBondContact OD2-CB 3.35Å; D1294-F1298 PolarHBondContact O-N 3.29Å; D1294-F1298 VanDerWaalsContact O-N 3.07Å; D1294-V1349 CarbonylContact C-O 3.54Å; D1294-V1349 VanDerWaalsContact CA-O 3.31Å; D1294-V1349 WeakPolarHBondContact CA-O 3.46Å; D1294-L1350 HydrophobicContact CB-CD2 4.27Å; D1294-Y1369 VanDerWaalsContact CG-OH 3.26Å; D1294-Y1369 PolarHBondContact OD1-OH 3.46Å; D1294-Y1369 PolarHBondContact OD2-OH 3.27Å; D1294-Y1369 VanDerWaalsContact OD2-OH 3.07Å |
| 1295 | L | 90.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.4 | -31.7 | -177.5 | 176.6 | 60.8 | 0 | 0 | 0 | 111.9 | F1298 L1299 I1323 V1349 L1351 V1446 | L1295-F1298 HydrophobicContact CD1-CD1 4.29Å; L1295-L1299 HydrophobicContact CD1-CD1 3.96Å; L1295-L1299 HydrophobicContact CD1-CG 3.97Å; L1295-L1299 HydrophobicContact CG-CD1 3.81Å; L1295-L1299 HydrophobicContact CG-CG 4.31Å; L1295-L1299 VanDerWaalsContact O-CB 3.31Å; L1295-L1299 WeakPolarHBondContact O-CB 3.4Å; L1295-L1299 WeakPolarHBondContact O-CD1 3.35Å; L1295-L1299 WeakPolarHBondContact O-CG 3.44Å; L1295-L1299 PolarHBondContact O-N 3.27Å; L1295-I1323 HydrophobicContact CD1-CD1 4.31Å; L1295-I1323 HydrophobicContact CD1-CG2 4.36Å; L1295-I1323 HydrophobicContact CD2-CG2 3.9Å; L1295-V1349 HydrophobicContact CB-CB 4.04Å; L1295-V1349 HydrophobicContact CB-CG1 3.98Å; L1295-V1349 WeakPolarHBondContact CB-O 3.33Å; L1295-V1349 HydrophobicContact CD2-CB 4.15Å; L1295-V1349 HydrophobicContact CD2-CG1 3.73Å; L1295-V1349 PolarHBondContact N-O 2.64Å; L1295-L1351 HydrophobicContact CD1-CD2 4.49Å; L1295-V1446 HydrophobicContact CD2-CG2 4.14Å |
| 1296 | K | 86.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67 | -47.3 | 179.5 | -164.8 | 166.1 | -171.1 | 146.2 | 0 | 111.9 | D1294 L1299 R1300 A1346 R1347 Y1369 E1372 E1445 A1450 | D1294-K1296 VanDerWaalsContact C-N 3.27Å; D1294-K1296 PolarHBondContact O-N 3.28Å; D1294-K1296 WeakPolarHBondContact OD1-CA 3.42Å; D1294-K1296 VanDerWaalsContact OD1-CB 3.3Å; D1294-K1296 WeakPolarHBondContact OD1-CB 3.48Å; D1294-K1296 PolarHBondContact OD1-N 3.33Å; D1294-K1296 VanDerWaalsContact OD1-N 3.12Å; K1296-L1299 PolarHBondContact O-N 2.93Å; K1296-R1300 WeakPolarHBondContact O-CG 3.33Å; K1296-R1300 PolarHBondContact O-N 2.98Å; K1296-A1346 HydrophobicContact CB-CB 3.74Å; K1296-A1346 HydrophobicContact CD-CB 4.36Å; K1296-A1346 HydrophobicContact CG-CB 4.12Å; K1296-A1346 PolarHBondContact N-O 3.36Å; K1296-A1346 VanDerWaalsContact N-O 3.09Å; K1296-R1347 HydrophobicContact CD-CB 4.17Å; K1296-Y1369 HydrophobicContact CD-CE1 4.11Å; K1296-E1372 WeakPolarHBondContact CE-OE1 3.29Å; K1296-E1372 IonicContact NZ-OE1 3.12Å; K1296-E1372 PolarHBondContact NZ-OE1 3.11Å; K1296-E1372 IonicContact NZ-OE2 3.66Å; K1296-E1372 PolarHBondContact NZ-OE2 3.11Å; K1296-E1445 WeakPolarHBondContact CE-OE1 3.39Å; K1296-E1445 IonicContact NZ-OE1 3.69Å; K1296-E1445 PolarHBondContact NZ-OE1 2.87Å; K1296-A1450 HydrophobicContact CG-CB 3.75Å; K1296-A1450 WeakPolarHBondContact O-CB 3.46Å |
| 1297 | Q | 79.5 | Confident | 77.1 | Confident | 71 Ų | 71 | 44.7 Ų | 44.7 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.6 | -36.9 | 178 | -169.6 | 58.6 | 23.4 | 0 | 0 | 111.3 | D1294 R1300 C1301 | D1294-Q1297 PolarHBondContact O-N 3.34Å; D1294-Q1297 PolarHBondContact OD1-N 3.3Å; D1294-Q1297 WeakPolarHBondContact OD2-CB 3.35Å; Q1297-R1300 PolarHBondContact O-N 2.98Å; Q1297-C1301 PolarHBondContact O-N 2.96Å; Q1297-C1301 PolarHBondContact O-SG 3.29Å; Q1297-C1301 VanDerWaalsContact O-SG 3.34Å |
| 1298 | F | 85.5 | Confident | 75 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57 | -52 | 170.3 | 179.3 | -104.6 | 0 | 0 | 0 | 111.8 | W1292 D1294 L1295 R1300 C1301 M1302 L1315 L1351 L1355 | W1292-F1298 HydrophobicContact CB-CD2 4.16Å; W1292-F1298 HydrophobicContact CD2-CD2 4.42Å; W1292-F1298 HydrophobicContact CD2-CE2 4.19Å; W1292-F1298 HydrophobicContact CG-CD2 4.21Å; W1292-F1298 HydrophobicContact CG-CE2 4.14Å; D1294-F1298 PolarHBondContact O-N 3.29Å; D1294-F1298 VanDerWaalsContact O-N 3.07Å; L1295-F1298 HydrophobicContact CD1-CD1 4.29Å; F1298-R1300 VanDerWaalsContact C-N 3.31Å; F1298-R1300 PolarHBondContact O-N 3.27Å; F1298-C1301 WeakPolarHBondContact O-CB 3.39Å; F1298-C1301 PolarHBondContact O-N 3.11Å; F1298-C1301 VanDerWaalsContact O-N 3.15Å; F1298-M1302 HydrophobicContact CE1-CG 4.29Å; F1298-M1302 HydrophobicContact CE2-SD 4.3Å; F1298-M1302 HydrophobicContact CZ-CG 4.4Å; F1298-M1302 HydrophobicContact CZ-SD 4.21Å; F1298-M1302 WeakPolarHBondContact O-CG 3.42Å; F1298-M1302 PolarHBondContact O-N 2.88Å; F1298-M1302 VanDerWaalsContact O-N 3.1Å; F1298-L1315 HydrophobicContact CE1-CD1 3.91Å; F1298-L1315 HydrophobicContact CE1-CD2 4.02Å; F1298-L1315 HydrophobicContact CE1-CG 4.39Å; F1298-L1315 HydrophobicContact CZ-CD2 4.28Å; F1298-L1351 HydrophobicContact CB-CD2 4.41Å; F1298-L1351 HydrophobicContact CD1-CD2 3.44Å; F1298-L1351 VanDerWaalsContact CD1-CD2 3.44Å; F1298-L1351 HydrophobicContact CD2-CD2 4.07Å; F1298-L1351 HydrophobicContact CE1-CD2 3.53Å; F1298-L1351 HydrophobicContact CE2-CD2 4.17Å; F1298-L1351 HydrophobicContact CG-CD2 3.72Å; F1298-L1351 HydrophobicContact CZ-CD2 3.92Å; F1298-L1355 HydrophobicContact CE1-CD2 4.05Å; F1298-L1355 HydrophobicContact CE2-CD2 4.35Å; F1298-L1355 HydrophobicContact CZ-CD2 3.56Å |
| 1299 | L | 88.3 | Confident | 72.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -36.7 | 177.3 | -73.4 | 165.7 | 0 | 0 | 0 | 113 | L1295 K1296 M1302 R1303 L1315 V1446 L1449 A1450 | L1295-L1299 HydrophobicContact CD1-CD1 3.96Å; L1295-L1299 HydrophobicContact CD1-CG 3.97Å; L1295-L1299 HydrophobicContact CG-CD1 3.81Å; L1295-L1299 HydrophobicContact CG-CG 4.31Å; L1295-L1299 VanDerWaalsContact O-CB 3.31Å; L1295-L1299 WeakPolarHBondContact O-CB 3.4Å; L1295-L1299 WeakPolarHBondContact O-CD1 3.35Å; L1295-L1299 WeakPolarHBondContact O-CG 3.44Å; L1295-L1299 PolarHBondContact O-N 3.27Å; K1296-L1299 PolarHBondContact O-N 2.93Å; L1299-M1302 PolarHBondContact O-N 3.07Å; L1299-R1303 PolarHBondContact O-N 2.98Å; L1299-L1315 HydrophobicContact CD2-CD1 3.79Å; L1299-V1446 HydrophobicContact CD1-CG2 4.34Å; L1299-L1449 HydrophobicContact CD2-CD2 3.79Å; L1299-A1450 HydrophobicContact CB-CB 3.69Å; L1299-A1450 HydrophobicContact CD1-CB 4.4Å |
| 1300 | R | 82.9 | Confident | 70.2 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 26% | 0.26 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 173.4 | -74.6 | 179.9 | 178.2 | 156.7 | -0.1 | 112.2 | K1296 Q1297 F1298 M1302 R1303 E1304 E1372 A1450 | K1296-R1300 WeakPolarHBondContact O-CG 3.33Å; K1296-R1300 PolarHBondContact O-N 2.98Å; Q1297-R1300 PolarHBondContact O-N 2.98Å; F1298-R1300 VanDerWaalsContact C-N 3.31Å; F1298-R1300 PolarHBondContact O-N 3.27Å; R1300-M1302 VanDerWaalsContact C-N 3.31Å; R1300-M1302 PolarHBondContact O-N 3.45Å; R1300-R1303 WeakPolarHBondContact O-CA 3.44Å; R1300-R1303 WeakPolarHBondContact O-CB 3.29Å; R1300-R1303 PolarHBondContact O-N 2.85Å; R1300-E1304 PolarHBondContact O-N 3.38Å; R1300-E1304 VanDerWaalsContact O-N 3.08Å; R1300-E1372 IonicContact NH2-OE1 2.73Å; R1300-E1372 PolarHBondContact NH2-OE1 2.87Å; R1300-A1450 HydrophobicContact CG-CB 3.86Å |
| 1301 | C | 75.2 | Confident | 68.5 | Low | 24 Ų | 24 | 63.6 Ų | 63.6 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.5 | -43.8 | 174.6 | -67 | 0 | 0 | 0 | 0 | 111.6 | Q1297 F1298 R1303 E1304 E1305 | Q1297-C1301 PolarHBondContact O-N 2.96Å; Q1297-C1301 PolarHBondContact O-SG 3.29Å; Q1297-C1301 VanDerWaalsContact O-SG 3.34Å; F1298-C1301 WeakPolarHBondContact O-CB 3.39Å; F1298-C1301 PolarHBondContact O-N 3.11Å; F1298-C1301 VanDerWaalsContact O-N 3.15Å; C1301-R1303 PolarHBondContact O-N 3.21Å; C1301-R1303 VanDerWaalsContact O-N 3.13Å; C1301-E1304 PolarHBondContact O-N 3.08Å; C1301-E1304 VanDerWaalsContact O-N 3.14Å; C1301-E1305 PolarHBondContact O-N 2.92Å |
| 1302 | M | 77.6 | Confident | 67.3 | Low | 13 Ų | 13 | 64.3 Ų | 64.3 | 6% | 0.064 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.7 | -18.8 | 175.8 | -56 | -47.5 | -66.6 | 0 | 0 | 114.1 | F1298 L1299 R1300 M1312 P1313 L1315 L1449 | F1298-M1302 HydrophobicContact CE1-CG 4.29Å; F1298-M1302 HydrophobicContact CE2-SD 4.3Å; F1298-M1302 HydrophobicContact CZ-CG 4.4Å; F1298-M1302 HydrophobicContact CZ-SD 4.21Å; F1298-M1302 WeakPolarHBondContact O-CG 3.42Å; F1298-M1302 PolarHBondContact O-N 2.88Å; F1298-M1302 VanDerWaalsContact O-N 3.1Å; L1299-M1302 PolarHBondContact O-N 3.07Å; R1300-M1302 VanDerWaalsContact C-N 3.31Å; R1300-M1302 PolarHBondContact O-N 3.45Å; M1302-M1312 HydrophobicContact CE-CB 4.02Å; M1302-M1312 HydrophobicContact SD-CB 4.39Å; M1302-P1313 WeakPolarHBondContact CE-O 3.4Å; M1302-L1315 HydrophobicContact CE-CG 4.35Å; M1302-L1315 HydrophobicContact CG-CD1 4.08Å; M1302-L1315 HydrophobicContact CG-CG 4.16Å; M1302-L1449 HydrophobicContact CB-CD2 4.44Å |
| 1303 | R | 75.3 | Confident | 66.5 | Low | 116 Ų | 116 | 65.1 Ų | 65.1 | 44% | 0.438 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -86.8 | -37.3 | 174.2 | -175.5 | 175.7 | 167.5 | -174.9 | -8.2 | 112.4 | L1299 R1300 C1301 L1449 | L1299-R1303 PolarHBondContact O-N 2.98Å; R1300-R1303 WeakPolarHBondContact O-CA 3.44Å; R1300-R1303 WeakPolarHBondContact O-CB 3.29Å; R1300-R1303 PolarHBondContact O-N 2.85Å; C1301-R1303 PolarHBondContact O-N 3.21Å; C1301-R1303 VanDerWaalsContact O-N 3.13Å; R1303-L1449 HydrophobicContact CB-CB 4Å; R1303-L1449 HydrophobicContact CB-CD1 4.16Å |
| 1304 | E | 64.5 | Low | 66.2 | Low | 128 Ų | 128 | 68.2 Ų | 68.2 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -87.9 | -38.5 | -172.1 | -68.2 | 175.2 | -165.1 | 0 | 0 | 113.6 | R1300 C1301 N1306 S1307 | R1300-E1304 PolarHBondContact O-N 3.38Å; R1300-E1304 VanDerWaalsContact O-N 3.08Å; C1301-E1304 PolarHBondContact O-N 3.08Å; C1301-E1304 VanDerWaalsContact O-N 3.14Å; E1304-N1306 PolarHBondContact O-N 2.94Å; E1304-N1306 VanDerWaalsContact O-N 3.1Å; E1304-S1307 PolarHBondContact O-N 3.35Å; E1304-S1307 PolarHBondContact O-OG 3.41Å |
| 1305 | E | 55.8 | Low | 66.2 | Low | 71 Ų | 71 | 67.6 Ų | 67.6 | 33% | 0.332 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -74.8 | 0 | -169 | -68.7 | -161.4 | 143.1 | 0 | 0 | 115.9 | C1301 S1307 G1308 | C1301-E1305 PolarHBondContact O-N 2.92Å; E1305-S1307 PolarHBondContact O-N 3.34Å; E1305-G1308 PolarHBondContact O-N 3.07Å |
| 1306 | N | 49.5 | Very low | 66 | Low | 94 Ų | 94 | 71 Ų | 71 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -57.1 | -14.7 | 168.3 | -82.9 | -64.8 | 0 | 0 | 0 | 113.6 | E1304 K1311 | E1304-N1306 PolarHBondContact O-N 2.94Å; E1304-N1306 VanDerWaalsContact O-N 3.1Å; N1306-K1311 WeakPolarHBondContact O-CE 3.36Å; N1306-K1311 PolarHBondContact O-NZ 2.98Å |
| 1307 | S | 44.2 | Very low | 66 | Low | 119 Ų | 119 | 74 Ų | 74 | 83% | 0.832 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -92.7 | -6.9 | -179.4 | -40.9 | 0 | 0 | 0 | 0 | 114.8 | E1304 E1305 | E1304-S1307 PolarHBondContact O-N 3.35Å; E1304-S1307 PolarHBondContact O-OG 3.41Å; E1305-S1307 PolarHBondContact O-N 3.34Å |
| 1308 | G | 43.1 | Very low | 66.4 | Low | 27 Ų | 27 | 76 Ų | 76 | 28% | 0.278 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -105.6 | 165.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | E1305 K1311 | E1305-G1308 PolarHBondContact O-N 3.07Å; G1308-K1311 WeakPolarHBondContact O-CG 3.43Å |
| 1309 | P | 35.1 | Very low | 66.6 | Low | 133 Ų | 133 | 78.9 Ų | 78.9 | 86% | 0.864 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -78.9 | -19.7 | 177.1 | 31.6 | -35.1 | 0 | 0 | 0 | 114.1 | ||
| 1310 | F | 36.8 | Very low | 66.8 | Low | 158 Ų | 158 | 79.6 Ų | 79.6 | 69% | 0.693 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -101 | 87 | 170.2 | -74.9 | -85.9 | 0 | 0 | 0 | 108.9 | M1312 | F1310-M1312 PolarHBondContact O-N 2.69Š|
| 1311 | K | 47.2 | Very low | 67.2 | Low | 139 Ų | 139 | 76.9 Ų | 76.9 | 60% | 0.604 | 42% | 0.421 | S | S | * | . | trans | -83.7 | 112.9 | 179.2 | -67 | -168.5 | 173 | -166 | 0 | 111.2 | N1306 G1308 | N1306-K1311 WeakPolarHBondContact O-CE 3.36Å; N1306-K1311 PolarHBondContact O-NZ 2.98Å; G1308-K1311 WeakPolarHBondContact O-CG 3.43Å | ||
| 1312 | M | 55.4 | Low | 68 | Low | 80 Ų | 80 | 78.1 Ų | 78.1 | 39% | 0.394 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -67 | 143.2 | 155.6 | -68.2 | -163.4 | 69.9 | 0 | 0 | 109.5 | W1292 M1302 F1310 | W1292-M1312 HydrophobicContact CH2-CE 4.17Å; W1292-M1312 HydrophobicContact CZ2-CE 4.25Å; M1302-M1312 HydrophobicContact CE-CB 4.02Å; M1302-M1312 HydrophobicContact SD-CB 4.39Å; F1310-M1312 PolarHBondContact O-N 2.69Å |
| 1313 | P | 62.5 | Low | 68.8 | Low | 65 Ų | 65 | 77.5 Ų | 77.5 | 42% | 0.422 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 138.9 | 175 | -6.2 | 18.2 | 0 | 0 | 0 | 110.2 | L1131 M1302 | L1131-P1313 HydrophobicContact CD1-CG 3.48Å; L1131-P1313 VanDerWaalsContact CD1-CG 3.48Å; L1131-P1313 HydrophobicContact CD2-CG 4.02Å; L1131-P1313 HydrophobicContact CG-CG 4.4Å; M1302-P1313 WeakPolarHBondContact CE-O 3.4Å |
| 1314 | P | 71.6 | Confident | 69.7 | Low | 87 Ų | 87 | 72 Ų | 72 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 143.9 | 178.1 | 27.2 | -35.1 | 0 | 0 | 0 | 111.2 | T1316 | P1314-T1316 PolarHBondContact O-N 3.3Å; P1314-T1316 VanDerWaalsContact O-N 3.08Å |
| 1315 | L | 82.4 | Confident | 71.1 | Confident | 19 Ų | 19 | 69.4 Ų | 69.4 | 10% | 0.099 | 39% | 0.393 | C | S | . | . | trans | -58.9 | 115 | 177.1 | -69.4 | 171.6 | 0 | 0 | 0 | 110.6 | F1298 L1299 M1302 Q1319 K1320 L1355 L1449 | F1298-L1315 HydrophobicContact CE1-CD1 3.91Å; F1298-L1315 HydrophobicContact CE1-CD2 4.02Å; F1298-L1315 HydrophobicContact CE1-CG 4.39Å; F1298-L1315 HydrophobicContact CZ-CD2 4.28Å; L1299-L1315 HydrophobicContact CD2-CD1 3.79Å; M1302-L1315 HydrophobicContact CE-CG 4.35Å; M1302-L1315 HydrophobicContact CG-CD1 4.08Å; M1302-L1315 HydrophobicContact CG-CG 4.16Å; L1315-Q1319 HydrophobicContact CD2-CB 4.16Å; L1315-K1320 HydrophobicContact CB-CG 4.3Å; L1315-L1355 HydrophobicContact CD2-CD1 4.36Å; L1315-L1449 HydrophobicContact CD1-CD2 4.47Å | ||
| 1316 | T | 87.6 | Confident | 73 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 44% | 0.436 | 38% | 0.38 | S | S | . | . | trans | -60.6 | 157.5 | 173.4 | 59.8 | 0 | 0 | 0 | 0 | 111 | P1314 T1318 Q1319 K1320 | P1314-T1316 PolarHBondContact O-N 3.3Å; P1314-T1316 VanDerWaalsContact O-N 3.08Å; T1316-T1318 PolarHBondContact O-N 3.44Å; T1316-Q1319 PolarHBondContact O-N 3.31Å; T1316-Q1319 VanDerWaalsContact O-N 3.09Å; T1316-Q1319 WeakPolarHBondContact OG1-CB 3.42Å; T1316-Q1319 VanDerWaalsContact OG1-CG 3.3Å; T1316-Q1319 WeakPolarHBondContact OG1-CG 3.47Å; T1316-Q1319 PolarHBondContact OG1-N 3.49Å; T1316-Q1319 VanDerWaalsContact OG1-N 3.12Å; T1316-Q1319 PolarHBondContact OG1-OE1 2.88Å; T1316-K1320 PolarHBondContact O-N 3.29Å | ||
| 1317 | C | 86.1 | Confident | 75.2 | Confident | 63 Ų | 63 | 62.2 Ų | 62.2 | 43% | 0.426 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -56.9 | -38.8 | 173.5 | -165.3 | 0 | 0 | 0 | 0 | 111.1 | Q1319 K1320 M1321 | C1317-Q1319 PolarHBondContact O-N 3.05Å; C1317-K1320 PolarHBondContact O-N 3.47Å; C1317-M1321 WeakPolarHBondContact O-CB 3.17Å; C1317-M1321 WeakPolarHBondContact O-CG 3.4Å; C1317-M1321 PolarHBondContact O-N 3.15Å |
| 1318 | T | 87.5 | Confident | 77.6 | Confident | 113 Ų | 113 | 56.6 Ų | 56.6 | 69% | 0.693 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.9 | -40.9 | 175.1 | -42.3 | 0 | 0 | 0 | 0 | 112.8 | T1316 S1322 | T1316-T1318 PolarHBondContact O-N 3.44Å; T1318-S1322 WeakPolarHBondContact O-CB 3.44Å; T1318-S1322 PolarHBondContact O-N 3.39Å |
| 1319 | Q | 90.7 | Very high | 80.1 | Confident | 68 Ų | 68 | 58.1 Ų | 58.1 | 32% | 0.318 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | 173.9 | -74.7 | 160.5 | -50.5 | 0 | 0 | 112 | L1315 T1316 C1317 M1321 S1322 I1323 L1355 | L1315-Q1319 HydrophobicContact CD2-CB 4.16Å; T1316-Q1319 PolarHBondContact O-N 3.31Å; T1316-Q1319 VanDerWaalsContact O-N 3.09Å; T1316-Q1319 WeakPolarHBondContact OG1-CB 3.42Å; T1316-Q1319 VanDerWaalsContact OG1-CG 3.3Å; T1316-Q1319 WeakPolarHBondContact OG1-CG 3.47Å; T1316-Q1319 PolarHBondContact OG1-N 3.49Å; T1316-Q1319 VanDerWaalsContact OG1-N 3.12Å; T1316-Q1319 PolarHBondContact OG1-OE1 2.88Å; C1317-Q1319 PolarHBondContact O-N 3.05Å; Q1319-M1321 VanDerWaalsContact C-N 3.34Å; Q1319-M1321 PolarHBondContact O-N 3.26Å; Q1319-S1322 PolarHBondContact O-N 3.48Å; Q1319-I1323 WeakPolarHBondContact O-CG1 3.48Å; Q1319-I1323 PolarHBondContact O-N 3.14Å; Q1319-L1355 HydrophobicContact CG-CD1 4.15Å |
| 1320 | K | 91.7 | Very high | 82.8 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 173.1 | -67.3 | -177.5 | 179.5 | -174.9 | 0 | 111.1 | L1315 T1316 C1317 I1323 C1324 V1446 F1447 D1499 | L1315-K1320 HydrophobicContact CB-CG 4.3Å; T1316-K1320 PolarHBondContact O-N 3.29Å; C1317-K1320 PolarHBondContact O-N 3.47Å; K1320-I1323 PolarHBondContact O-N 3.42Å; K1320-C1324 PolarHBondContact O-N 3.08Å; K1320-C1324 PolarHBondContact O-SG 2.94Å; K1320-C1324 VanDerWaalsContact O-SG 3.33Å; K1320-V1446 HydrophobicContact CB-CG1 4.06Å; K1320-V1446 HydrophobicContact CG-CG1 4.25Å; K1320-F1447 HydrophobicContact CB-CE1 4.18Å; K1320-F1447 HydrophobicContact CB-CE2 4.11Å; K1320-F1447 HydrophobicContact CB-CZ 3.87Å; K1320-F1447 HydrophobicContact CD-CD1 3.84Å; K1320-F1447 HydrophobicContact CD-CE1 3.96Å; K1320-F1447 HydrophobicContact CD-CG 4.25Å; K1320-F1447 HydrophobicContact CD-CZ 4.47Å; K1320-F1447 PolarHBondContact NZ-O 3.2Å; K1320-D1499 IonicContact NZ-OD2 3.19Å; K1320-D1499 PolarHBondContact NZ-OD2 3.15Å |
| 1321 | M | 91.4 | Very high | 85.6 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.059 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -39.4 | 176.4 | -73 | -61.7 | -70.3 | 0 | 0 | 112.8 | C1317 Q1319 C1324 K1325 F1447 P1501 L1504 I1529 L1532 A1533 | C1317-M1321 WeakPolarHBondContact O-CB 3.17Å; C1317-M1321 WeakPolarHBondContact O-CG 3.4Å; C1317-M1321 PolarHBondContact O-N 3.15Å; Q1319-M1321 VanDerWaalsContact C-N 3.34Å; Q1319-M1321 PolarHBondContact O-N 3.26Å; M1321-C1324 PolarHBondContact O-N 3.17Å; M1321-K1325 WeakPolarHBondContact O-CB 3.43Å; M1321-K1325 PolarHBondContact O-N 2.72Å; M1321-F1447 HydrophobicContact CG-CZ 4.4Å; M1321-F1447 HydrophobicContact SD-CE2 4.48Å; M1321-F1447 HydrophobicContact SD-CZ 3.96Å; M1321-P1501 HydrophobicContact SD-CG 4.4Å; M1321-L1504 HydrophobicContact SD-CD2 3.76Å; M1321-I1529 HydrophobicContact CE-CG2 4.4Å; M1321-L1532 HydrophobicContact CE-CB 3.75Å; M1321-L1532 WeakPolarHBondContact CE-O 3.25Å; M1321-A1533 HydrophobicContact CB-CB 4.39Å; M1321-A1533 HydrophobicContact CE-CB 4.37Å |
| 1322 | S | 92 | Very high | 87.8 | Confident | 50 Ų | 50 | 39 Ų | 39 | 35% | 0.35 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 173.4 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | T1318 Q1319 C1324 K1325 Q1326 | T1318-S1322 WeakPolarHBondContact O-CB 3.44Å; T1318-S1322 PolarHBondContact O-N 3.39Å; Q1319-S1322 PolarHBondContact O-N 3.48Å; S1322-C1324 VanDerWaalsContact C-N 3.32Å; S1322-C1324 PolarHBondContact O-N 3.43Å; S1322-K1325 WeakPolarHBondContact O-CB 3.2Å; S1322-K1325 PolarHBondContact O-N 3.33Å; S1322-K1325 VanDerWaalsContact O-N 3.12Å; S1322-Q1326 VanDerWaalsContact O-CG 3.27Å; S1322-Q1326 WeakPolarHBondContact O-CG 3.49Å; S1322-Q1326 PolarHBondContact O-N 3.35Å; S1322-Q1326 PolarHBondContact OG-NE2 2.88Å |
| 1323 | I | 93.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.2 | -45.5 | 175.8 | -69.7 | 166.3 | 0 | 0 | 0 | 110.6 | L1295 Q1319 K1320 K1325 Q1326 L1327 V1357 V1446 | L1295-I1323 HydrophobicContact CD1-CD1 4.31Å; L1295-I1323 HydrophobicContact CD1-CG2 4.36Å; L1295-I1323 HydrophobicContact CD2-CG2 3.9Å; Q1319-I1323 WeakPolarHBondContact O-CG1 3.48Å; Q1319-I1323 PolarHBondContact O-N 3.14Å; K1320-I1323 PolarHBondContact O-N 3.42Å; I1323-K1325 PolarHBondContact O-N 3.3Å; I1323-Q1326 PolarHBondContact O-N 2.84Å; I1323-L1327 HydrophobicContact CG2-CD1 4.03Å; I1323-L1327 WeakPolarHBondContact O-CB 3.42Å; I1323-L1327 VanDerWaalsContact O-CG 3.3Å; I1323-L1327 WeakPolarHBondContact O-CG 3.22Å; I1323-L1327 PolarHBondContact O-N 3.36Å; I1323-V1357 HydrophobicContact CB-CG2 4.24Å; I1323-V1357 HydrophobicContact CG1-CG2 4.3Å; I1323-V1357 HydrophobicContact CG2-CG2 3.89Å; I1323-V1446 HydrophobicContact CG2-CG1 4.28Å; I1323-V1446 HydrophobicContact CG2-CG2 3.94Å |
| 1324 | C | 94.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.2 | -35.9 | 176.6 | -66 | 0 | 0 | 0 | 0 | 113.7 | K1320 M1321 S1322 A1328 I1529 | K1320-C1324 PolarHBondContact O-N 3.08Å; K1320-C1324 PolarHBondContact O-SG 2.94Å; K1320-C1324 VanDerWaalsContact O-SG 3.33Å; M1321-C1324 PolarHBondContact O-N 3.17Å; S1322-C1324 VanDerWaalsContact C-N 3.32Å; S1322-C1324 PolarHBondContact O-N 3.43Å; C1324-A1328 WeakPolarHBondContact O-CB 3.33Å; C1324-A1328 PolarHBondContact O-N 2.88Å; C1324-I1529 HydrophobicContact CB-CD1 4.49Å; C1324-I1529 HydrophobicContact CB-CG2 4.22Å |
| 1325 | K | 93.9 | Very high | 91.2 | Very high | 74 Ų | 74 | 31.5 Ų | 31.5 | 32% | 0.322 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.4 | -46.7 | 176.2 | 179.8 | -177.9 | 172.6 | -179.9 | 0 | 111.6 | M1321 S1322 I1323 A1328 L1329 I1529 A1533 | M1321-K1325 WeakPolarHBondContact O-CB 3.43Å; M1321-K1325 PolarHBondContact O-N 2.72Å; S1322-K1325 WeakPolarHBondContact O-CB 3.2Å; S1322-K1325 PolarHBondContact O-N 3.33Å; S1322-K1325 VanDerWaalsContact O-N 3.12Å; I1323-K1325 PolarHBondContact O-N 3.3Å; K1325-A1328 PolarHBondContact O-N 2.93Å; K1325-L1329 HydrophobicContact CG-CD1 4.29Å; K1325-L1329 WeakPolarHBondContact O-CG 3.41Å; K1325-L1329 PolarHBondContact O-N 3.2Å; K1325-I1529 HydrophobicContact CB-CG2 3.9Å; K1325-A1533 HydrophobicContact CD-CB 4.31Å |
| 1326 | Q | 95.2 | Very high | 91.3 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 7% | 0.065 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65 | -42.5 | 178.7 | -63.7 | 174.7 | 48.6 | 0 | 0 | 111.6 | Y1269 S1322 I1323 A1328 L1329 G1330 L1355 V1357 | Y1269-Q1326 HydrophobicContact CD1-CB 3.7Å; Y1269-Q1326 HydrophobicContact CD1-CG 3.92Å; Y1269-Q1326 HydrophobicContact CD2-CB 4.25Å; Y1269-Q1326 HydrophobicContact CE1-CB 3.84Å; Y1269-Q1326 HydrophobicContact CE1-CG 3.5Å; Y1269-Q1326 VanDerWaalsContact CE1-OE1 3.27Å; Y1269-Q1326 HydrophobicContact CE2-CB 4.39Å; Y1269-Q1326 HydrophobicContact CE2-CG 4.33Å; Y1269-Q1326 HydrophobicContact CG-CB 3.92Å; Y1269-Q1326 HydrophobicContact CG-CG 4.48Å; S1322-Q1326 VanDerWaalsContact O-CG 3.27Å; S1322-Q1326 WeakPolarHBondContact O-CG 3.49Å; S1322-Q1326 PolarHBondContact O-N 3.35Å; S1322-Q1326 PolarHBondContact OG-NE2 2.88Å; I1323-Q1326 PolarHBondContact O-N 2.84Å; Q1326-A1328 VanDerWaalsContact C-N 3.32Å; Q1326-A1328 PolarHBondContact O-N 2.86Å; Q1326-L1329 PolarHBondContact O-N 3.37Å; Q1326-G1330 PolarHBondContact O-N 2.92Å; Q1326-L1355 PolarHBondContact NE2-O 3.02Å; Q1326-V1357 HydrophobicContact CB-CB 3.79Å; Q1326-V1357 HydrophobicContact CB-CG1 4.46Å; Q1326-V1357 HydrophobicContact CB-CG2 3.89Å |
| 1327 | L | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.3 | -42.5 | 171.9 | -79.1 | 170.6 | 0 | 0 | 0 | 112.7 | I1323 M1331 V1349 V1357 I1359 F1439 L1442 V1446 | I1323-L1327 HydrophobicContact CG2-CD1 4.03Å; I1323-L1327 WeakPolarHBondContact O-CB 3.42Å; I1323-L1327 VanDerWaalsContact O-CG 3.3Å; I1323-L1327 WeakPolarHBondContact O-CG 3.22Å; I1323-L1327 PolarHBondContact O-N 3.36Å; L1327-M1331 WeakPolarHBondContact O-CB 3.31Å; L1327-M1331 WeakPolarHBondContact O-CG 3.44Å; L1327-M1331 PolarHBondContact O-N 2.72Å; L1327-V1349 HydrophobicContact CD2-CG1 3.98Å; L1327-V1349 HydrophobicContact CD2-CG2 3.78Å; L1327-V1357 HydrophobicContact CD2-CG1 3.49Å; L1327-V1357 VanDerWaalsContact CD2-CG1 3.49Å; L1327-V1357 HydrophobicContact CG-CG1 3.73Å; L1327-V1357 HydrophobicContact CG-CG2 4.39Å; L1327-I1359 HydrophobicContact CD2-CD1 4.37Å; L1327-I1359 HydrophobicContact CD2-CG1 4.05Å; L1327-F1439 HydrophobicContact CB-CE2 3.92Å; L1327-L1442 HydrophobicContact CD1-CD1 4.33Å; L1327-L1442 HydrophobicContact CD1-CD2 3.77Å; L1327-L1442 HydrophobicContact CD1-CG 3.88Å; L1327-L1442 HydrophobicContact CD2-CD2 3.8Å; L1327-L1442 HydrophobicContact CG-CD2 4.38Å; L1327-V1446 HydrophobicContact CD1-CG2 4.45Å |
| 1328 | A | 96 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.3 | -43.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C1324 K1325 Q1326 M1331 D1332 F1439 I1525 A1526 I1529 | C1324-A1328 WeakPolarHBondContact O-CB 3.33Å; C1324-A1328 PolarHBondContact O-N 2.88Å; K1325-A1328 PolarHBondContact O-N 2.93Å; Q1326-A1328 VanDerWaalsContact C-N 3.32Å; Q1326-A1328 PolarHBondContact O-N 2.86Å; A1328-M1331 PolarHBondContact O-N 3.1Å; A1328-D1332 WeakPolarHBondContact O-CB 3.27Å; A1328-D1332 PolarHBondContact O-N 3.08Å; A1328-F1439 HydrophobicContact CB-CE2 4.19Å; A1328-F1439 HydrophobicContact CB-CZ 4.06Å; A1328-I1525 HydrophobicContact CB-CG2 3.82Å; A1328-A1526 HydrophobicContact CB-CB 4.02Å; A1328-I1529 HydrophobicContact CB-CD1 4.33Å |
| 1329 | L | 95.1 | Very high | 89.2 | Confident | 60 Ų | 60 | 38.4 Ų | 38.4 | 31% | 0.314 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 176.5 | -68.8 | 166.7 | 0 | 0 | 0 | 111.9 | Y1269 K1325 Q1326 M1331 D1332 Y1333 A1526 | Y1269-L1329 HydrophobicContact CD2-CB 3.9Å; Y1269-L1329 HydrophobicContact CD2-CD1 4.4Å; Y1269-L1329 HydrophobicContact CE2-CB 4.23Å; Y1269-L1329 HydrophobicContact CE2-CD1 3.9Å; K1325-L1329 HydrophobicContact CG-CD1 4.29Å; K1325-L1329 WeakPolarHBondContact O-CG 3.41Å; K1325-L1329 PolarHBondContact O-N 3.2Å; Q1326-L1329 PolarHBondContact O-N 3.37Å; L1329-M1331 PolarHBondContact O-N 3.09Å; L1329-D1332 PolarHBondContact O-N 2.68Å; L1329-Y1333 PolarHBondContact O-N 3.43Å; L1329-A1526 HydrophobicContact CD2-CB 4.14Å |
| 1330 | G | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q1326 L1334 | Q1326-G1330 PolarHBondContact O-N 2.92Å; G1330-L1334 WeakPolarHBondContact O-CG 3.21Å; G1330-L1334 PolarHBondContact O-N 3.16Å; G1330-L1334 VanDerWaalsContact O-N 3.08Å |
| 1331 | M | 94.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.7 | -30.1 | 175.1 | -73.3 | -55.7 | -51.7 | 0 | 0 | 113.5 | L1327 A1328 L1329 L1334 A1335 H1341 L1344 I1359 D1435 F1522 | L1327-M1331 WeakPolarHBondContact O-CB 3.31Å; L1327-M1331 WeakPolarHBondContact O-CG 3.44Å; L1327-M1331 PolarHBondContact O-N 2.72Å; A1328-M1331 PolarHBondContact O-N 3.1Å; L1329-M1331 PolarHBondContact O-N 3.09Å; M1331-L1334 PolarHBondContact O-N 3.34Å; M1331-L1334 HydrophobicContact SD-CD1 4.01Å; M1331-A1335 WeakPolarHBondContact O-CB 3.27Å; M1331-A1335 PolarHBondContact O-N 3.41Å; M1331-H1341 HydrophobicContact CE-CB 4.11Å; M1331-H1341 HydrophobicContact SD-CB 4.4Å; M1331-L1344 HydrophobicContact CE-CD2 4.1Å; M1331-L1344 HydrophobicContact CG-CD1 4.43Å; M1331-L1344 HydrophobicContact CG-CD2 3.86Å; M1331-L1344 HydrophobicContact SD-CD1 3.87Å; M1331-L1344 HydrophobicContact SD-CD2 3.76Å; M1331-L1344 HydrophobicContact SD-CG 4.41Å; M1331-I1359 HydrophobicContact CG-CD1 3.86Å; M1331-I1359 HydrophobicContact SD-CD1 3.96Å; M1331-I1359 HydrophobicContact SD-CG2 4.45Å; M1331-D1435 HydrophobicContact CE-CB 4.01Å; M1331-F1522 HydrophobicContact CB-CD1 3.41Å; M1331-F1522 VanDerWaalsContact CB-CD1 3.41Å; M1331-F1522 HydrophobicContact CB-CD2 4.07Å; M1331-F1522 HydrophobicContact CB-CE1 3.45Å; M1331-F1522 VanDerWaalsContact CB-CE1 3.45Å; M1331-F1522 HydrophobicContact CB-CE2 4.09Å; M1331-F1522 HydrophobicContact CB-CG 3.74Å; M1331-F1522 HydrophobicContact CB-CZ 3.79Å; M1331-F1522 HydrophobicContact CE-CD2 4.43Å; M1331-F1522 HydrophobicContact CE-CE1 4.46Å; M1331-F1522 HydrophobicContact CE-CE2 3.67Å; M1331-F1522 HydrophobicContact CE-CZ 3.69Å; M1331-F1522 HydrophobicContact CG-CD1 4.35Å; M1331-F1522 HydrophobicContact CG-CE1 3.9Å; M1331-F1522 HydrophobicContact CG-CZ 4.07Å |
| 1332 | D | 94.2 | Very high | 87.7 | Confident | 28 Ų | 28 | 40.5 Ų | 40.5 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67 | -43 | 173.4 | -167.1 | 36.8 | 0 | 0 | 0 | 111.1 | A1328 L1329 A1335 H1336 F1522 S1523 | A1328-D1332 WeakPolarHBondContact O-CB 3.27Å; A1328-D1332 PolarHBondContact O-N 3.08Å; L1329-D1332 PolarHBondContact O-N 2.68Å; D1332-A1335 PolarHBondContact O-N 3.49Å; D1332-H1336 PolarHBondContact O-N 2.84Å; D1332-H1336 PolarHBondContact O-ND1 3.36Å; D1332-H1336 IonicContact OD1-CE1 2.79Å; D1332-H1336 PolarHBondContact OD1-CE1 3.09Å; D1332-H1336 IonicContact OD1-ND1 3.72Å; D1332-H1336 PolarHBondContact OD1-ND1 3.37Å; D1332-H1336 IonicContact OD2-CE1 2.69Å; D1332-H1336 IonicContact OD2-ND1 3.44Å; D1332-F1522 HydrophobicContact CB-CB 3.88Å; D1332-S1523 VanDerWaalsContact OD1-CA 3.27Å; D1332-S1523 WeakPolarHBondContact OD1-CA 3.46Å; D1332-S1523 VanDerWaalsContact OD1-CB 3.29Å; D1332-S1523 WeakPolarHBondContact OD1-CB 3.45Å; D1332-S1523 PolarHBondContact OD1-N 2.74Å; D1332-S1523 PolarHBondContact OD1-OG 3.02Å |
| 1333 | Y | 90.4 | Very high | 87.2 | Confident | 49 Ų | 49 | 39.2 Ų | 39.2 | 19% | 0.192 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.7 | -50.2 | 170.9 | 175.2 | -95.7 | 0 | 0 | 0 | 112 | Q1264 S1265 D1266 H1267 V1270 L1329 A1335 H1336 M1337 | Q1264-Y1333 PolarHBondContact O-OH 3.06Å; S1265-Y1333 WeakPolarHBondContact CA-OH 3.46Å; D1266-Y1333 PolarHBondContact N-OH 2.77Å; H1267-Y1333 HydrophobicContact CB-CD1 3.59Å; H1267-Y1333 HydrophobicContact CB-CD2 3.83Å; H1267-Y1333 HydrophobicContact CB-CE1 3.63Å; H1267-Y1333 HydrophobicContact CB-CE2 3.86Å; H1267-Y1333 HydrophobicContact CB-CG 3.68Å; H1267-Y1333 AromaticContact CD2-CD2 3.69Å; H1267-Y1333 AromaticContact CD2-CG 3.72Å; H1267-Y1333 AromaticContact CG-CD1 3.87Å; H1267-Y1333 AromaticContact CG-CD2 3.84Å; H1267-Y1333 AromaticContact CG-CG 3.55Å; V1270-Y1333 HydrophobicContact CG2-CD1 4.11Å; L1329-Y1333 PolarHBondContact O-N 3.43Å; Y1333-A1335 VanDerWaalsContact C-N 3.31Å; Y1333-A1335 PolarHBondContact O-N 3.29Å; Y1333-H1336 PolarHBondContact O-N 3.01Å; Y1333-M1337 HydrophobicContact CD1-CG 4.32Å; Y1333-M1337 HydrophobicContact CE1-CG 3.89Å; Y1333-M1337 HydrophobicContact CE2-CG 4.13Å; Y1333-M1337 HydrophobicContact CE2-SD 4.49Å; Y1333-M1337 WeakPolarHBondContact O-CG 3.36Å; Y1333-M1337 PolarHBondContact O-N 2.95Å |
| 1334 | L | 86.1 | Confident | 87.1 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -38.4 | 178.3 | -72.3 | 175.7 | 0 | 0 | 0 | 112.5 | L1261 V1270 G1330 M1331 M1337 H1338 C1339 I1359 | L1261-L1334 HydrophobicContact CD1-CD1 4.39Å; L1261-L1334 HydrophobicContact CD1-CD2 3.66Å; V1270-L1334 HydrophobicContact CG1-CD2 4.36Å; V1270-L1334 HydrophobicContact CG2-CD1 4.31Å; V1270-L1334 HydrophobicContact CG2-CD2 4.26Å; V1270-L1334 HydrophobicContact CG2-CG 4.06Å; G1330-L1334 WeakPolarHBondContact O-CG 3.21Å; G1330-L1334 PolarHBondContact O-N 3.16Å; G1330-L1334 VanDerWaalsContact O-N 3.08Å; M1331-L1334 PolarHBondContact O-N 3.34Å; M1331-L1334 HydrophobicContact SD-CD1 4.01Å; L1334-M1337 CarbonylContact O-C 3.17Å; L1334-M1337 PolarHBondContact O-N 2.98Å; L1334-H1338 PolarHBondContact O-N 3.36Å; L1334-C1339 HydrophobicContact CB-CB 4.47Å; L1334-C1339 HydrophobicContact CD2-CB 4.35Å; L1334-C1339 WeakPolarHBondContact O-CA 3.13Å; L1334-C1339 WeakPolarHBondContact O-CB 3.24Å; L1334-C1339 PolarHBondContact O-N 3.45Å; L1334-I1359 HydrophobicContact CD1-CG2 4Å |
| 1335 | A | 85.1 | Confident | 86.9 | Confident | 21 Ų | 21 | 39.2 Ų | 39.2 | 17% | 0.174 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69 | -36.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1331 D1332 Y1333 H1338 T1432 F1522 | M1331-A1335 WeakPolarHBondContact O-CB 3.27Å; M1331-A1335 PolarHBondContact O-N 3.41Å; D1332-A1335 PolarHBondContact O-N 3.49Å; Y1333-A1335 VanDerWaalsContact C-N 3.31Å; Y1333-A1335 PolarHBondContact O-N 3.29Å; A1335-H1338 WeakPolarHBondContact O-CA 3.41Å; A1335-H1338 PolarHBondContact O-N 2.94Å; A1335-H1338 VanDerWaalsContact O-N 3.1Å; A1335-T1432 HydrophobicContact CB-CG2 4.1Å; A1335-F1522 HydrophobicContact CB-CD2 4.05Å |
| 1336 | H | 84.3 | Confident | 86.8 | Confident | 121 Ų | 121 | 35.7 Ų | 35.7 | 56% | 0.56 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -65.8 | -38 | 171.7 | -79.3 | 91 | 0 | 0 | 0 | 112 | D1332 Y1333 H1338 | D1332-H1336 PolarHBondContact O-N 2.84Å; D1332-H1336 PolarHBondContact O-ND1 3.36Å; D1332-H1336 IonicContact OD1-CE1 2.79Å; D1332-H1336 PolarHBondContact OD1-CE1 3.09Å; D1332-H1336 IonicContact OD1-ND1 3.72Å; D1332-H1336 PolarHBondContact OD1-ND1 3.37Å; D1332-H1336 IonicContact OD2-CE1 2.69Å; D1332-H1336 IonicContact OD2-ND1 3.44Å; Y1333-H1336 PolarHBondContact O-N 3.01Å; H1336-H1338 PolarHBondContact O-N 2.79Å; H1336-H1338 VanDerWaalsContact O-N 3.08Å |
| 1337 | M | 74.3 | Confident | 86.4 | Confident | 81 Ų | 81 | 35.5 Ų | 35.5 | 40% | 0.399 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 12.7 | 170.2 | -63.7 | -60.8 | -69.1 | 0 | 0 | 113.4 | Q1264 Y1333 L1334 C1339 | Q1264-M1337 HydrophobicContact CB-CE 4.1Å; Y1333-M1337 HydrophobicContact CD1-CG 4.32Å; Y1333-M1337 HydrophobicContact CE1-CG 3.89Å; Y1333-M1337 HydrophobicContact CE2-CG 4.13Å; Y1333-M1337 HydrophobicContact CE2-SD 4.49Å; Y1333-M1337 WeakPolarHBondContact O-CG 3.36Å; Y1333-M1337 PolarHBondContact O-N 2.95Å; L1334-M1337 CarbonylContact O-C 3.17Å; L1334-M1337 PolarHBondContact O-N 2.98Å; M1337-C1339 PolarHBondContact O-N 2.85Å |
| 1338 | H | 72.8 | Confident | 85.9 | Confident | 173 Ų | 173 | 35.7 Ų | 35.7 | 80% | 0.801 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 19.6 | -177.4 | -61.4 | -32.1 | 0 | 0 | 0 | 115.3 | L1334 A1335 H1336 | L1334-H1338 PolarHBondContact O-N 3.36Å; A1335-H1338 WeakPolarHBondContact O-CA 3.41Å; A1335-H1338 PolarHBondContact O-N 2.94Å; A1335-H1338 VanDerWaalsContact O-N 3.1Å; H1336-H1338 PolarHBondContact O-N 2.79Å; H1336-H1338 VanDerWaalsContact O-N 3.08Å |
| 1339 | C | 69.8 | Low | 85.6 | Confident | 36 Ų | 36 | 35.7 Ų | 35.7 | 24% | 0.243 | 17% | 0.173 | C | C | . | . | trans | -88.1 | 143.2 | -180 | -157.9 | 0 | 0 | 0 | 0 | 111.3 | L1261 L1334 M1337 | L1261-C1339 WeakPolarHBondContact CD1-SG 3.41Å; L1334-C1339 HydrophobicContact CB-CB 4.47Å; L1334-C1339 HydrophobicContact CD2-CB 4.35Å; L1334-C1339 WeakPolarHBondContact O-CA 3.13Å; L1334-C1339 WeakPolarHBondContact O-CB 3.24Å; L1334-C1339 PolarHBondContact O-N 3.45Å; M1337-C1339 PolarHBondContact O-N 2.85Å | ||
| 1340 | V | 77 | Confident | 85.4 | Confident | 26 Ų | 26 | 33.5 Ų | 33.5 | 16% | 0.158 | 16% | 0.161 | C | C | . | . | trans | -120.2 | 122.3 | 176.7 | -177 | 0 | 0 | 0 | 0 | 107 | R1342 T1432 D1435 | V1340-R1342 HydrophobicContact CB-CG 4.38Å; V1340-R1342 HydrophobicContact CG1-CG 3.91Å; V1340-R1342 WeakPolarHBondContact O-CG 3.39Å; V1340-T1432 HydrophobicContact CG2-CG2 4.31Å; V1340-D1435 WeakPolarHBondContact CA-OD2 3.36Å; V1340-D1435 WeakPolarHBondContact CG1-OD2 3.08Å | ||
| 1341 | H | 82.7 | Confident | 85.1 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 1% | 0.014 | 16% | 0.161 | C | C | . | . | trans | -76 | -34.8 | -171.7 | -166.5 | -94.2 | 0 | 0 | 0 | 112.4 | R1257 M1331 D1343 L1344 D1435 | R1257-H1341 PolarHBondContact NH2-O 2.95Å; M1331-H1341 HydrophobicContact CE-CB 4.11Å; M1331-H1341 HydrophobicContact SD-CB 4.4Å; H1341-D1343 PolarHBondContact CE1-O 3.43Å; H1341-D1343 VanDerWaalsContact ND1-C 3.35Å; H1341-D1343 PolarHBondContact ND1-O 3.21Å; H1341-D1343 PolarHBondContact O-N 3Å; H1341-L1344 WeakPolarHBondContact ND1-CA 3.4Å; H1341-L1344 PolarHBondContact ND1-N 3.45Å; H1341-D1435 PolarHBondContact N-OD2 2.8Å | ||
| 1342 | R | 81.3 | Confident | 84.7 | Confident | 109 Ų | 109 | 34.2 Ų | 34.2 | 41% | 0.411 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 68.4 | -20.3 | 172 | -43.8 | 178.6 | -170.6 | 171.1 | 3.2 | 116.2 | V1340 Y1430 D1435 | V1340-R1342 HydrophobicContact CB-CG 4.38Å; V1340-R1342 HydrophobicContact CG1-CG 3.91Å; V1340-R1342 WeakPolarHBondContact O-CG 3.39Å; R1342-Y1430 HydrophobicContact CB-CD1 3.59Å; R1342-Y1430 HydrophobicContact CB-CD2 4.07Å; R1342-Y1430 HydrophobicContact CB-CE1 3.77Å; R1342-Y1430 HydrophobicContact CB-CE2 4.22Å; R1342-Y1430 HydrophobicContact CB-CG 3.74Å; R1342-Y1430 HydrophobicContact CG-CD1 3.97Å; R1342-Y1430 HydrophobicContact CG-CD2 3.84Å; R1342-Y1430 HydrophobicContact CG-CE2 4.4Å; R1342-Y1430 HydrophobicContact CG-CG 3.59Å; R1342-Y1430 WeakPolarHBondContact O-CE1 3.36Å; R1342-D1435 PolarHBondContact N-OD1 2.89Å |
| 1343 | D | 83 | Confident | 83.9 | Confident | 23 Ų | 23 | 38.9 Ų | 38.9 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | trans | -141.3 | 51.5 | 179.4 | -169.5 | 12.9 | 0 | 0 | 0 | 110.5 | H1341 A1345 R1347 N1348 Y1373 P1384 | H1341-D1343 PolarHBondContact CE1-O 3.43Å; H1341-D1343 VanDerWaalsContact ND1-C 3.35Å; H1341-D1343 PolarHBondContact ND1-O 3.21Å; H1341-D1343 PolarHBondContact O-N 3Å; D1343-A1345 PolarHBondContact O-N 3.09Å; D1343-R1347 IonicContact OD1-CZ 2.67Å; D1343-R1347 IonicContact OD1-NE 3.95Å; D1343-R1347 IonicContact OD1-NH2 2.67Å; D1343-R1347 PolarHBondContact OD1-NH2 2.77Å; D1343-N1348 PolarHBondContact O-ND2 3.28Å; D1343-N1348 PolarHBondContact OD2-ND2 2.88Å; D1343-Y1373 WeakPolarHBondContact OD2-CE1 3.27Å; D1343-Y1373 PolarHBondContact OD2-OH 3.35Å; D1343-P1384 HydrophobicContact CB-CG 4.43Å; D1343-P1384 WeakPolarHBondContact OD1-CB 3.38Å; D1343-P1384 WeakPolarHBondContact OD1-CG 3.44Å | ||
| 1344 | L | 90.7 | Very high | 83.6 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | trans | -77.6 | 109.9 | 178.9 | -176.7 | 64 | 0 | 0 | 0 | 110.7 | M1331 H1341 A1438 F1439 L1442 | M1331-L1344 HydrophobicContact CE-CD2 4.1Å; M1331-L1344 HydrophobicContact CG-CD1 4.43Å; M1331-L1344 HydrophobicContact CG-CD2 3.86Å; M1331-L1344 HydrophobicContact SD-CD1 3.87Å; M1331-L1344 HydrophobicContact SD-CD2 3.76Å; M1331-L1344 HydrophobicContact SD-CG 4.41Å; H1341-L1344 WeakPolarHBondContact ND1-CA 3.4Å; H1341-L1344 PolarHBondContact ND1-N 3.45Å; L1344-A1438 HydrophobicContact CB-CB 4.06Å; L1344-F1439 HydrophobicContact CD2-CB 3.81Å; L1344-F1439 HydrophobicContact CD2-CD2 4.43Å; L1344-L1442 HydrophobicContact CD1-CD2 3.79Å; L1344-L1442 HydrophobicContact CD2-CD2 4.45Å; L1344-L1442 HydrophobicContact CG-CD2 3.9Å | ||
| 1345 | A | 91.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -158.5 | 162.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | D1343 R1347 N1348 W1387 | D1343-A1345 PolarHBondContact O-N 3.09Å; A1345-R1347 HydrophobicContact CB-CG 4.08Å; A1345-R1347 PolarHBondContact O-N 3.42Å; A1345-N1348 PolarHBondContact O-N 3.39Å; A1345-W1387 HydrophobicContact CB-CD2 4.1Å; A1345-W1387 HydrophobicContact CB-CG 4.13Å; A1345-W1387 HydrophobicContact CB-CZ2 4.3Å; A1345-W1387 VanDerWaalsContact CB-NE1 3.33Å |
| 1346 | A | 91 | Very high | 83.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -63.2 | -21.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1296 N1348 L1442 E1445 | K1296-A1346 HydrophobicContact CB-CB 3.74Å; K1296-A1346 HydrophobicContact CD-CB 4.36Å; K1296-A1346 HydrophobicContact CG-CB 4.12Å; K1296-A1346 PolarHBondContact N-O 3.36Å; K1296-A1346 VanDerWaalsContact N-O 3.09Å; A1346-N1348 VanDerWaalsContact C-N 3.28Å; A1346-L1442 HydrophobicContact CB-CD1 3.77Å; A1346-E1445 HydrophobicContact CB-CB 3.96Å; A1346-E1445 HydrophobicContact CB-CG 4.42Å; A1346-E1445 PolarHBondContact N-OE2 2.97Å |
| 1347 | R | 86.5 | Confident | 84.3 | Confident | 9 Ų | 9 | 38.9 Ų | 38.9 | 3% | 0.034 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -71.3 | -20.3 | 173.9 | 60.9 | 177.5 | 174.5 | -81.4 | -17.6 | 113.7 | K1296 D1343 A1345 Y1369 E1372 Y1373 P1384 W1387 | K1296-R1347 HydrophobicContact CD-CB 4.17Å; D1343-R1347 IonicContact OD1-CZ 2.67Å; D1343-R1347 IonicContact OD1-NE 3.95Å; D1343-R1347 IonicContact OD1-NH2 2.67Å; D1343-R1347 PolarHBondContact OD1-NH2 2.77Å; A1345-R1347 HydrophobicContact CB-CG 4.08Å; A1345-R1347 PolarHBondContact O-N 3.42Å; R1347-Y1369 HydrophobicContact CB-CD1 4.13Å; R1347-Y1369 HydrophobicContact CB-CD2 4.03Å; R1347-Y1369 HydrophobicContact CB-CE1 4Å; R1347-Y1369 HydrophobicContact CB-CE2 3.89Å; R1347-Y1369 HydrophobicContact CB-CG 4.17Å; R1347-E1372 IonicContact CZ-OE2 3.83Å; R1347-E1372 IonicContact NH1-OE2 2.75Å; R1347-E1372 PolarHBondContact NH1-OE2 3.21Å; R1347-Y1373 PolarHBondContact NE-OH 3.02Å; R1347-P1384 VanDerWaalsContact NH2-CB 3.32Å; R1347-W1387 VanDerWaalsContact NH1-CZ2 3.3Å |
| 1348 | N | 85.9 | Confident | 85 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.027 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -109.3 | 29.9 | -177 | -73.8 | -16.9 | 0 | 0 | 0 | 111.1 | D1343 A1345 A1346 S1360 | D1343-N1348 PolarHBondContact O-ND2 3.28Å; D1343-N1348 PolarHBondContact OD2-ND2 2.88Å; A1345-N1348 PolarHBondContact O-N 3.39Å; A1346-N1348 VanDerWaalsContact C-N 3.28Å; N1348-S1360 CarbonylContact C-O 3.57Å; N1348-S1360 WeakPolarHBondContact CA-O 3.3Å; N1348-S1360 VanDerWaalsContact CB-O 3.25Å; N1348-S1360 WeakPolarHBondContact CB-O 3.28Å; N1348-S1360 PolarHBondContact O-N 3.06Å |
| 1349 | V | 90.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 122.3 | 175.9 | 176.7 | 0 | 0 | 0 | 0 | 106.5 | D1294 L1295 L1327 V1357 L1442 | D1294-V1349 CarbonylContact C-O 3.54Å; D1294-V1349 VanDerWaalsContact CA-O 3.31Å; D1294-V1349 WeakPolarHBondContact CA-O 3.46Å; L1295-V1349 HydrophobicContact CB-CB 4.04Å; L1295-V1349 HydrophobicContact CB-CG1 3.98Å; L1295-V1349 WeakPolarHBondContact CB-O 3.33Å; L1295-V1349 HydrophobicContact CD2-CB 4.15Å; L1295-V1349 HydrophobicContact CD2-CG1 3.73Å; L1295-V1349 PolarHBondContact N-O 2.64Å; L1327-V1349 HydrophobicContact CD2-CG1 3.98Å; L1327-V1349 HydrophobicContact CD2-CG2 3.78Å; V1349-V1357 HydrophobicContact CG1-CG1 3.78Å; V1349-L1442 HydrophobicContact CG2-CD2 4.13Å |
| 1350 | L | 89.3 | Confident | 86.3 | Confident | 14 Ų | 14 | 25.8 Ų | 25.8 | 7% | 0.073 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 167 | 173.3 | -59.4 | 176.7 | 0 | 0 | 0 | 110.9 | L1240 T1271 C1290 G1293 D1294 K1358 L1362 | L1240-L1350 HydrophobicContact CD1-CD1 3.98Å; T1271-L1350 HydrophobicContact CG2-CD1 4.43Å; C1290-L1350 HydrophobicContact CB-CB 3.73Å; C1290-L1350 HydrophobicContact CB-CD1 4.24Å; G1293-L1350 CarbonylContact O-C 3.51Å; G1293-L1350 VanDerWaalsContact O-CA 3.24Å; G1293-L1350 WeakPolarHBondContact O-CA 3.42Å; D1294-L1350 HydrophobicContact CB-CD2 4.27Å; L1350-K1358 HydrophobicContact CB-CB 3.98Å; L1350-K1358 PolarHBondContact N-O 3.34Å; L1350-K1358 PolarHBondContact O-N 3.37Å; L1350-L1362 HydrophobicContact CD1-CD1 3.89Å; L1350-L1362 HydrophobicContact CD2-CD1 4.27Å; L1350-L1362 HydrophobicContact CG-CD1 4.34Å |
| 1351 | L | 87.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 125.7 | -175.8 | -166.4 | 74.8 | 0 | 0 | 0 | 111.3 | C1290 W1292 G1293 L1295 F1298 L1355 E1356 V1357 | C1290-L1351 CarbonylContact C-O 3.49Å; C1290-L1351 WeakPolarHBondContact CB-O 3.4Å; W1292-L1351 WeakPolarHBondContact CA-O 3.39Å; W1292-L1351 HydrophobicContact CB-CB 3.99Å; W1292-L1351 HydrophobicContact CB-CD2 3.97Å; W1292-L1351 HydrophobicContact CB-CG 4.2Å; W1292-L1351 WeakPolarHBondContact CB-O 3.31Å; W1292-L1351 HydrophobicContact CG-CD2 4.33Å; W1292-L1351 PolarHBondContact N-O 2.9Å; G1293-L1351 PolarHBondContact O-N 2.88Å; L1295-L1351 HydrophobicContact CD1-CD2 4.49Å; F1298-L1351 HydrophobicContact CB-CD2 4.41Å; F1298-L1351 HydrophobicContact CD1-CD2 3.44Å; F1298-L1351 VanDerWaalsContact CD1-CD2 3.44Å; F1298-L1351 HydrophobicContact CD2-CD2 4.07Å; F1298-L1351 HydrophobicContact CE1-CD2 3.53Å; F1298-L1351 HydrophobicContact CE2-CD2 4.17Å; F1298-L1351 HydrophobicContact CG-CD2 3.72Å; F1298-L1351 HydrophobicContact CZ-CD2 3.92Å; L1351-L1355 HydrophobicContact CD1-CB 4.47Å; L1351-L1355 HydrophobicContact CD2-CD2 3.93Å; L1351-E1356 CarbonylContact C-O 3.53Å; L1351-E1356 VanDerWaalsContact CA-O 3.3Å; L1351-E1356 WeakPolarHBondContact CA-O 3.47Å; L1351-V1357 HydrophobicContact CD1-CG2 4.41Å |
| 1352 | T | 85.2 | Confident | 84.4 | Confident | 15 Ų | 15 | 26.1 Ų | 26.1 | 9% | 0.092 | 14% | 0.138 | C | C | . | . | trans | -78.6 | 164.7 | 174.5 | 77.7 | 0 | 0 | 0 | 0 | 111.2 | E1291 G1354 L1355 E1356 K1358 | E1291-T1352 VanDerWaalsContact OE2-CA 3.25Å; E1291-T1352 WeakPolarHBondContact OE2-CA 3.34Å; T1352-G1354 PolarHBondContact O-N 3.31Å; T1352-G1354 PolarHBondContact OG1-N 3.05Å; T1352-L1355 PolarHBondContact O-N 3.23Å; T1352-E1356 HydrophobicContact CG2-CB 4.03Å; T1352-E1356 PolarHBondContact N-O 3.45Å; T1352-E1356 WeakPolarHBondContact OG1-CB 3.49Å; T1352-E1356 WeakPolarHBondContact OG1-CG 3.38Å; T1352-E1356 PolarHBondContact OG1-N 3.15Å; T1352-E1356 PolarHBondContact OG1-OE2 3.17Å; T1352-K1358 HydrophobicContact CG2-CG 4.08Å | ||
| 1353 | Q | 78.1 | Confident | 82.9 | Confident | 127 Ų | 127 | 21.6 Ų | 21.6 | 59% | 0.593 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -32.8 | 178.5 | -173.2 | 172.3 | -9.1 | 0 | 0 | 113 | E1291 W1292 L1355 | E1291-Q1353 HydrophobicContact CB-CB 4.19Å; E1291-Q1353 HydrophobicContact CG-CB 4.27Å; E1291-Q1353 PolarHBondContact OE2-N 2.79Å; W1292-Q1353 PolarHBondContact NE1-O 3.4Å; W1292-Q1353 VanDerWaalsContact NE1-O 3.14Å; Q1353-L1355 PolarHBondContact O-N 3.14Å |
| 1354 | G | 82.5 | Confident | 81 | Confident | 60 Ų | 60 | 20.8 Ų | 20.8 | 62% | 0.619 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 2.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | T1352 E1356 | T1352-G1354 PolarHBondContact O-N 3.31Å; T1352-G1354 PolarHBondContact OG1-N 3.05Å; G1354-E1356 VanDerWaalsContact C-N 3.32Å |
| 1355 | L | 86.9 | Confident | 78.6 | Confident | 36 Ų | 36 | 22 Ų | 22 | 19% | 0.188 | 13% | 0.131 | C | C | . | . | trans | 65.1 | 31.8 | -166.6 | -48.9 | 176.4 | 0 | 0 | 0 | 113.1 | F1298 L1315 Q1319 Q1326 L1351 T1352 Q1353 | F1298-L1355 HydrophobicContact CE1-CD2 4.05Å; F1298-L1355 HydrophobicContact CE2-CD2 4.35Å; F1298-L1355 HydrophobicContact CZ-CD2 3.56Å; L1315-L1355 HydrophobicContact CD2-CD1 4.36Å; Q1319-L1355 HydrophobicContact CG-CD1 4.15Å; Q1326-L1355 PolarHBondContact NE2-O 3.02Å; L1351-L1355 HydrophobicContact CD1-CB 4.47Å; L1351-L1355 HydrophobicContact CD2-CD2 3.93Å; T1352-L1355 PolarHBondContact O-N 3.23Å; Q1353-L1355 PolarHBondContact O-N 3.14Å | ||
| 1356 | E | 90.4 | Very high | 76.4 | Confident | 99 Ų | 99 | 24.4 Ų | 24.4 | 46% | 0.463 | 14% | 0.14 | S | C | . | . | trans | -87.9 | 131.7 | 174.9 | -49.2 | 160.8 | 129.3 | 0 | 0 | 110.3 | L1351 T1352 G1354 | L1351-E1356 CarbonylContact C-O 3.53Å; L1351-E1356 VanDerWaalsContact CA-O 3.3Å; L1351-E1356 WeakPolarHBondContact CA-O 3.47Å; T1352-E1356 HydrophobicContact CG2-CB 4.03Å; T1352-E1356 PolarHBondContact N-O 3.45Å; T1352-E1356 WeakPolarHBondContact OG1-CB 3.49Å; T1352-E1356 WeakPolarHBondContact OG1-CG 3.38Å; T1352-E1356 PolarHBondContact OG1-N 3.15Å; T1352-E1356 PolarHBondContact OG1-OE2 3.17Å; G1354-E1356 VanDerWaalsContact C-N 3.32Å | ||
| 1357 | V | 93.1 | Very high | 74 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 135.5 | -175.2 | 166.1 | 0 | 0 | 0 | 0 | 110.4 | Y1269 I1323 Q1326 L1327 V1349 L1351 I1359 | Y1269-V1357 CarbonylContact C-O 3.56Å; Y1269-V1357 WeakPolarHBondContact CA-O 3.29Å; I1323-V1357 HydrophobicContact CB-CG2 4.24Å; I1323-V1357 HydrophobicContact CG1-CG2 4.3Å; I1323-V1357 HydrophobicContact CG2-CG2 3.89Å; Q1326-V1357 HydrophobicContact CB-CB 3.79Å; Q1326-V1357 HydrophobicContact CB-CG1 4.46Å; Q1326-V1357 HydrophobicContact CB-CG2 3.89Å; L1327-V1357 HydrophobicContact CD2-CG1 3.49Å; L1327-V1357 VanDerWaalsContact CD2-CG1 3.49Å; L1327-V1357 HydrophobicContact CG-CG1 3.73Å; L1327-V1357 HydrophobicContact CG-CG2 4.39Å; V1349-V1357 HydrophobicContact CG1-CG1 3.78Å; L1351-V1357 HydrophobicContact CD1-CG2 4.41Å; V1357-I1359 HydrophobicContact CG1-CG1 4.36Å |
| 1358 | K | 90.2 | Very high | 72.2 | Confident | 13 Ų | 13 | 34.5 Ų | 34.5 | 6% | 0.057 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 99.3 | 175.8 | -68.5 | -68.8 | -167.6 | 164.2 | 0 | 110.4 | D1268 E1288 L1350 T1352 | D1268-K1358 VanDerWaalsContact O-CD 3.23Å; D1268-K1358 WeakPolarHBondContact O-CD 3.42Å; D1268-K1358 WeakPolarHBondContact O-CE 3.33Å; D1268-K1358 PolarHBondContact O-NZ 2.89Å; E1288-K1358 WeakPolarHBondContact OE1-CD 3.19Å; E1288-K1358 VanDerWaalsContact OE1-CE 3.25Å; E1288-K1358 WeakPolarHBondContact OE1-CE 3.34Å; E1288-K1358 IonicContact OE1-NZ 2.71Å; E1288-K1358 PolarHBondContact OE1-NZ 3.48Å; E1288-K1358 WeakPolarHBondContact OE2-CE 3.49Å; E1288-K1358 IonicContact OE2-NZ 3.96Å; E1288-K1358 PolarHBondContact OE2-NZ 3.44Å; L1350-K1358 HydrophobicContact CB-CB 3.98Å; L1350-K1358 PolarHBondContact N-O 3.34Å; L1350-K1358 PolarHBondContact O-N 3.37Å; T1352-K1358 HydrophobicContact CG2-CG 4.08Å |
| 1359 | I | 89.8 | Confident | 70.6 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 134.9 | 179.6 | -61.2 | 172.1 | 0 | 0 | 0 | 109.6 | Y1269 T1271 L1327 M1331 L1334 V1357 | Y1269-I1359 WeakPolarHBondContact O-CG1 3.32Å; Y1269-I1359 PolarHBondContact O-N 3.17Å; T1271-I1359 PolarHBondContact N-O 2.97Å; T1271-I1359 PolarHBondContact OG1-O 3.06Å; L1327-I1359 HydrophobicContact CD2-CD1 4.37Å; L1327-I1359 HydrophobicContact CD2-CG1 4.05Å; M1331-I1359 HydrophobicContact CG-CD1 3.86Å; M1331-I1359 HydrophobicContact SD-CD1 3.96Å; M1331-I1359 HydrophobicContact SD-CG2 4.45Å; L1334-I1359 HydrophobicContact CD1-CG2 4Å; V1357-I1359 HydrophobicContact CG1-CG1 4.36Å |
| 1360 | S | 79.2 | Confident | 68.7 | Low | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | trans | -153.3 | 127.1 | -167.4 | -139 | 0 | 0 | 0 | 0 | 114.2 | T1271 N1348 L1362 | T1271-S1360 WeakPolarHBondContact CB-OG 3.37Å; T1271-S1360 WeakPolarHBondContact OG1-CB 3.45Å; T1271-S1360 PolarHBondContact OG1-OG 3.17Å; N1348-S1360 CarbonylContact C-O 3.57Å; N1348-S1360 WeakPolarHBondContact CA-O 3.3Å; N1348-S1360 VanDerWaalsContact CB-O 3.25Å; N1348-S1360 WeakPolarHBondContact CB-O 3.28Å; N1348-S1360 PolarHBondContact O-N 3.06Å; S1360-L1362 PolarHBondContact O-N 3.29Å; S1360-L1362 WeakPolarHBondContact OG-CG 3.47Å | ||
| 1361 | S | 65.8 | Low | 67.3 | Low | 8 Ų | 8 | 42.4 Ų | 42.4 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | trans | -81.4 | 41.5 | 178.4 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | Q1258 L1261 F1262 G1363 | Q1258-S1361 WeakPolarHBondContact CG-OG 3.41Å; Q1258-S1361 PolarHBondContact NE2-O 3.36Å; L1261-S1361 WeakPolarHBondContact CD2-OG 3.37Å; F1262-S1361 WeakPolarHBondContact CE2-OG 3.25Å; F1262-S1361 WeakPolarHBondContact CZ-OG 3.49Å; S1361-G1363 VanDerWaalsContact C-N 3.31Å; S1361-G1363 PolarHBondContact O-N 2.94Å | ||
| 1362 | L | 53.6 | Low | 66.3 | Low | 28 Ų | 28 | 43.2 Ų | 43.2 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | trans | -80.9 | 67.8 | -174.8 | -57.3 | -178.3 | 0 | 0 | 0 | 113.4 | L1287 L1350 S1360 L1364 | L1287-L1362 HydrophobicContact CD1-CD2 3.72Å; L1350-L1362 HydrophobicContact CD1-CD1 3.89Å; L1350-L1362 HydrophobicContact CD2-CD1 4.27Å; L1350-L1362 HydrophobicContact CG-CD1 4.34Å; S1360-L1362 PolarHBondContact O-N 3.29Å; S1360-L1362 WeakPolarHBondContact OG-CG 3.47Å; L1362-L1364 HydrophobicContact CB-CD1 4.28Å; L1362-L1364 HydrophobicContact CD2-CD1 3.75Å; L1362-L1364 PolarHBondContact O-N 2.79Å | ||
| 1363 | G | 50.3 | Low | 65.6 | Low | 13 Ų | 13 | 43.6 Ų | 43.6 | 13% | 0.134 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -62.7 | 18.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F1219 S1361 | F1219-G1363 VanDerWaalsContact CD2-O 3.26Å; F1219-G1363 WeakPolarHBondContact CD2-O 3.21Å; S1361-G1363 VanDerWaalsContact C-N 3.31Å; S1361-G1363 PolarHBondContact O-N 2.94Å |
| 1364 | L | 42.6 | Very low | 65.4 | Low | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -79.8 | -18.6 | -172.8 | -78.3 | 154.4 | 0 | 0 | 0 | 114.6 | K1216 G1217 F1219 V1222 K1242 L1362 | K1216-L1364 CarbonylContact C-O 3.55Å; G1217-L1364 VanDerWaalsContact CA-O 3.29Å; G1217-L1364 WeakPolarHBondContact CA-O 3.49Å; G1217-L1364 PolarHBondContact N-O 3.31Å; F1219-L1364 HydrophobicContact CB-CD2 4.43Å; V1222-L1364 HydrophobicContact CG2-CB 3.68Å; V1222-L1364 HydrophobicContact CG2-CD1 3.44Å; V1222-L1364 VanDerWaalsContact CG2-CD1 3.44Å; V1222-L1364 HydrophobicContact CG2-CD2 3.84Å; V1222-L1364 HydrophobicContact CG2-CG 3.83Å; K1242-L1364 HydrophobicContact CB-CD1 4.02Å; K1242-L1364 HydrophobicContact CD-CD1 3.54Å; K1242-L1364 HydrophobicContact CD-CD2 3.98Å; K1242-L1364 HydrophobicContact CD-CG 4.12Å; K1242-L1364 HydrophobicContact CG-CD1 3.79Å; K1242-L1364 HydrophobicContact CG-CD2 3.86Å; K1242-L1364 HydrophobicContact CG-CG 4.38Å; L1362-L1364 HydrophobicContact CB-CD1 4.28Å; L1362-L1364 HydrophobicContact CD2-CD1 3.75Å; L1362-L1364 PolarHBondContact O-N 2.79Å |
| 1365 | A | 40.6 | Very low | 64.9 | Low | 27 Ų | 27 | 43.1 Ų | 43.1 | 22% | 0.223 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -105.4 | 38.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1367 V1368 Y1369 | A1365-D1367 PolarHBondContact O-N 3.4Å; A1365-V1368 HydrophobicContact CB-CB 4.15Å; A1365-V1368 HydrophobicContact CB-CG2 4.17Å; A1365-V1368 PolarHBondContact O-N 3.36Å; A1365-Y1369 HydrophobicContact CB-CD2 3.84Å; A1365-Y1369 HydrophobicContact CB-CE2 3.97Å; A1365-Y1369 PolarHBondContact O-N 3.3Å |
| 1366 | R | 46.6 | Very low | 63.9 | Low | 50 Ų | 50 | 42 Ų | 42 | 19% | 0.189 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -30.6 | 178.9 | -102.4 | -168 | -176.4 | 172.5 | 4.9 | 113.1 | E1218 F1219 Y1369 A1370 | E1218-R1366 IonicContact OE1-NH1 3.44Å; E1218-R1366 WeakPolarHBondContact OE2-CD 3.41Å; E1218-R1366 IonicContact OE2-CZ 3.04Å; E1218-R1366 IonicContact OE2-NE 3.49Å; E1218-R1366 IonicContact OE2-NH1 3.78Å; E1218-R1366 PolarHBondContact OE2-NH1 3.02Å; F1219-R1366 HydrophobicContact CE2-CG 4.34Å; R1366-Y1369 CarbonylContact O-C 3.35Å; R1366-A1370 WeakPolarHBondContact O-CA 3.28Å; R1366-A1370 WeakPolarHBondContact O-CB 3.46Å; R1366-A1370 PolarHBondContact O-N 2.81Å |
| 1367 | D | 39.9 | Very low | 62.5 | Low | 118 Ų | 118 | 40.6 Ų | 40.6 | 63% | 0.631 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -38.4 | 174.9 | -66.7 | -40.2 | 0 | 0 | 0 | 112.6 | A1365 | A1365-D1367 PolarHBondContact O-N 3.4Š|
| 1368 | V | 49 | Very low | 60.4 | Low | 102 Ų | 102 | 48.8 Ų | 48.8 | 62% | 0.618 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -37.5 | 179.1 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | A1365 | A1365-V1368 HydrophobicContact CB-CB 4.15Å; A1365-V1368 HydrophobicContact CB-CG2 4.17Å; A1365-V1368 PolarHBondContact O-N 3.36Å |
| 1369 | Y | 52.5 | Low | 58.7 | Low | 16 Ų | 16 | 50.5 Ų | 50.5 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 20.1 | -179.4 | -58.9 | -69.7 | 0 | 0 | 0 | 113.1 | D1294 K1296 R1347 A1365 R1366 N1371 E1372 Y1373 | D1294-Y1369 VanDerWaalsContact CG-OH 3.26Å; D1294-Y1369 PolarHBondContact OD1-OH 3.46Å; D1294-Y1369 PolarHBondContact OD2-OH 3.27Å; D1294-Y1369 VanDerWaalsContact OD2-OH 3.07Å; K1296-Y1369 HydrophobicContact CD-CE1 4.11Å; R1347-Y1369 HydrophobicContact CB-CD1 4.13Å; R1347-Y1369 HydrophobicContact CB-CD2 4.03Å; R1347-Y1369 HydrophobicContact CB-CE1 4Å; R1347-Y1369 HydrophobicContact CB-CE2 3.89Å; R1347-Y1369 HydrophobicContact CB-CG 4.17Å; A1365-Y1369 HydrophobicContact CB-CD2 3.84Å; A1365-Y1369 HydrophobicContact CB-CE2 3.97Å; A1365-Y1369 PolarHBondContact O-N 3.3Å; R1366-Y1369 CarbonylContact O-C 3.35Å; Y1369-N1371 VanDerWaalsContact C-N 3.26Å; Y1369-N1371 PolarHBondContact O-N 3.26Å; Y1369-E1372 WeakPolarHBondContact O-CB 3.21Å; Y1369-E1372 PolarHBondContact O-N 2.79Å; Y1369-Y1373 WeakPolarHBondContact O-CD2 3.29Å |
| 1370 | A | 50.7 | Low | 56.9 | Low | 41 Ų | 41 | 58 Ų | 58 | 34% | 0.339 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -53.2 | -44.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1366 E1372 Y1373 | R1366-A1370 WeakPolarHBondContact O-CA 3.28Å; R1366-A1370 WeakPolarHBondContact O-CB 3.46Å; R1366-A1370 PolarHBondContact O-N 2.81Å; A1370-E1372 PolarHBondContact O-N 3.22Å; A1370-E1372 VanDerWaalsContact O-N 3.1Å; A1370-Y1373 PolarHBondContact O-N 3.39Å; A1370-Y1373 VanDerWaalsContact O-N 3.12Å |
| 1371 | N | 59.6 | Low | 55.9 | Low | 128 Ų | 128 | 60.5 Ų | 60.5 | 68% | 0.684 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -69.9 | -2.7 | -179.8 | -59.5 | -24.2 | 0 | 0 | 0 | 113.9 | Y1369 | Y1369-N1371 VanDerWaalsContact C-N 3.26Å; Y1369-N1371 PolarHBondContact O-N 3.26Å |
| 1372 | E | 66 | Low | 56 | Low | 17 Ų | 17 | 63 Ų | 63 | 8% | 0.079 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -99.1 | -9.5 | 174.6 | -54.3 | -166.7 | 178.4 | 0 | 0 | 112.9 | K1296 R1300 R1347 Y1369 A1370 W1387 | K1296-E1372 WeakPolarHBondContact CE-OE1 3.29Å; K1296-E1372 IonicContact NZ-OE1 3.12Å; K1296-E1372 PolarHBondContact NZ-OE1 3.11Å; K1296-E1372 IonicContact NZ-OE2 3.66Å; K1296-E1372 PolarHBondContact NZ-OE2 3.11Å; R1300-E1372 IonicContact NH2-OE1 2.73Å; R1300-E1372 PolarHBondContact NH2-OE1 2.87Å; R1347-E1372 IonicContact CZ-OE2 3.83Å; R1347-E1372 IonicContact NH1-OE2 2.75Å; R1347-E1372 PolarHBondContact NH1-OE2 3.21Å; Y1369-E1372 WeakPolarHBondContact O-CB 3.21Å; Y1369-E1372 PolarHBondContact O-N 2.79Å; A1370-E1372 PolarHBondContact O-N 3.22Å; A1370-E1372 VanDerWaalsContact O-N 3.1Å; E1372-W1387 HydrophobicContact CB-CH2 4.05Å; E1372-W1387 HydrophobicContact CB-CZ3 4.07Å; E1372-W1387 HydrophobicContact CG-CH2 4.39Å; E1372-W1387 WeakPolarHBondContact OE2-CH2 3.42Å |
| 1373 | Y | 69.9 | Low | 57.1 | Low | 23 Ų | 23 | 61.9 Ų | 61.9 | 9% | 0.09 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -110.7 | 122.3 | 175.9 | -65.1 | -91.3 | 0 | 0 | 0 | 111.9 | D1343 R1347 Y1369 A1370 I1383 P1384 | D1343-Y1373 WeakPolarHBondContact OD2-CE1 3.27Å; D1343-Y1373 PolarHBondContact OD2-OH 3.35Å; R1347-Y1373 PolarHBondContact NE-OH 3.02Å; Y1369-Y1373 WeakPolarHBondContact O-CD2 3.29Å; A1370-Y1373 PolarHBondContact O-N 3.39Å; A1370-Y1373 VanDerWaalsContact O-N 3.12Å; Y1373-I1383 CarbonylContact C-O 3.12Å; Y1373-I1383 WeakPolarHBondContact CA-O 3.29Å; Y1373-P1384 HydrophobicContact CD1-CB 4.09Å; Y1373-P1384 HydrophobicContact CE1-CB 3.95Å; Y1373-P1384 HydrophobicContact CE1-CG 4.33Å |
| 1374 | Y | 75.1 | Confident | 58.7 | Low | 47 Ų | 47 | 61.6 Ų | 61.6 | 18% | 0.184 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 126 | 173.3 | 178.7 | -98.4 | 0 | 0 | 0 | 110.4 | L1376 F1382 I1383 L1385 D1459 I1463 | Y1374-L1376 HydrophobicContact CD1-CD2 4.29Å; Y1374-L1376 HydrophobicContact CE1-CD2 4.01Å; Y1374-F1382 WeakPolarHBondContact O-CA 3.11Å; Y1374-I1383 HydrophobicContact CD1-CD1 4.22Å; Y1374-I1383 HydrophobicContact CD1-CG1 4.15Å; Y1374-I1383 PolarHBondContact N-O 3.47Å; Y1374-I1383 WeakPolarHBondContact O-CG1 3.44Å; Y1374-I1383 PolarHBondContact O-N 3.49Å; Y1374-L1385 HydrophobicContact CD1-CD2 4.39Å; Y1374-L1385 HydrophobicContact CD2-CD2 4.04Å; Y1374-L1385 HydrophobicContact CG-CD2 3.87Å; Y1374-D1459 HydrophobicContact CD2-CB 3.98Å; Y1374-D1459 HydrophobicContact CE2-CB 4.24Å; Y1374-I1463 HydrophobicContact CE1-CD1 4.02Å; Y1374-I1463 HydrophobicContact CE2-CD1 4.26Å |
| 1375 | R | 71.3 | Confident | 60.8 | Low | 131 Ų | 131 | 61.5 Ų | 61.5 | 49% | 0.494 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 124.3 | 172.7 | -175.1 | 178.9 | 178 | 161.4 | 5.8 | 110.2 | T1379 E1380 F1382 | R1375-T1379 PolarHBondContact NE-O 3.2Å; R1375-T1379 PolarHBondContact NH2-O 3.21Å; R1375-E1380 IonicContact NH2-OE1 3.7Å; R1375-F1382 HydrophobicContact CB-CD1 3.99Å; R1375-F1382 HydrophobicContact CB-CE1 3.82Å; R1375-F1382 HydrophobicContact CB-CZ 4.36Å; R1375-F1382 HydrophobicContact CG-CE1 4.25Å; R1375-F1382 HydrophobicContact CG-CZ 4.3Å |
| 1376 | L | 65.6 | Low | 63.2 | Low | 12 Ų | 12 | 61.3 Ų | 61.3 | 6% | 0.063 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 131.5 | -178.6 | -81 | 166 | 0 | 0 | 0 | 112.3 | Y1374 N1378 T1379 Q1381 I1383 I1396 | Y1374-L1376 HydrophobicContact CD1-CD2 4.29Å; Y1374-L1376 HydrophobicContact CE1-CD2 4.01Å; L1376-N1378 PolarHBondContact O-N 3.48Å; L1376-T1379 HydrophobicContact CB-CG2 4.49Å; L1376-T1379 VanDerWaalsContact CB-OG1 3.3Å; L1376-T1379 WeakPolarHBondContact CB-OG1 3.5Å; L1376-T1379 PolarHBondContact O-N 3.03Å; L1376-T1379 PolarHBondContact O-OG1 2.84Å; L1376-Q1381 HydrophobicContact CD1-CB 4.27Å; L1376-Q1381 HydrophobicContact CD1-CG 4.27Å; L1376-Q1381 PolarHBondContact N-O 3.03Å; L1376-I1383 HydrophobicContact CD1-CD1 4.12Å; L1376-I1383 HydrophobicContact CD1-CG1 4.39Å; L1376-I1383 HydrophobicContact CD1-CG2 3.92Å; L1376-I1383 HydrophobicContact CD2-CD1 4.03Å; L1376-I1383 HydrophobicContact CG-CD1 4.04Å; L1376-I1383 HydrophobicContact CG-CG1 4.25Å; L1376-I1396 HydrophobicContact CD1-CG2 3.71Å; L1376-I1396 HydrophobicContact CD2-CG2 3.32Å; L1376-I1396 HydrophobicContact CG-CG2 4.17Å |
| 1377 | P | 60.7 | Low | 65.4 | Low | 69 Ų | 69 | 59.1 Ų | 59.1 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 132.8 | -178.5 | -28.5 | 35.6 | 0 | 0 | 0 | 113.6 | T1379 | P1377-T1379 PolarHBondContact O-N 3.02Š|
| 1378 | N | 49.8 | Very low | 67.8 | Low | 172 Ų | 172 | 53.9 Ų | 53.9 | 92% | 0.92 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 20.6 | -175.4 | -44.2 | -77.5 | 0 | 0 | 0 | 114.9 | L1376 | L1376-N1378 PolarHBondContact O-N 3.48Š|
| 1379 | T | 54.2 | Low | 69.8 | Low | 49 Ų | 49 | 49 Ų | 49 | 30% | 0.301 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -134.6 | 175.7 | 171.9 | 82.3 | 0 | 0 | 0 | 0 | 111.9 | R1375 L1376 P1377 Q1381 | R1375-T1379 PolarHBondContact NE-O 3.2Å; R1375-T1379 PolarHBondContact NH2-O 3.21Å; L1376-T1379 HydrophobicContact CB-CG2 4.49Å; L1376-T1379 VanDerWaalsContact CB-OG1 3.3Å; L1376-T1379 WeakPolarHBondContact CB-OG1 3.5Å; L1376-T1379 PolarHBondContact O-N 3.03Å; L1376-T1379 PolarHBondContact O-OG1 2.84Å; P1377-T1379 PolarHBondContact O-N 3.02Å; T1379-Q1381 WeakPolarHBondContact OG1-CB 3.31Å; T1379-Q1381 PolarHBondContact OG1-N 3.46Å |
| 1380 | E | 52.6 | Low | 71.6 | Confident | 158 Ų | 158 | 48.3 Ų | 48.3 | 74% | 0.738 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -105.2 | 14.5 | 170.3 | -49.6 | -166.7 | 129.4 | 0 | 0 | 110.9 | R1375 F1382 | R1375-E1380 IonicContact NH2-OE1 3.7Å; E1380-F1382 WeakPolarHBondContact O-CD2 3.35Å |
| 1381 | Q | 57.6 | Low | 73.4 | Confident | 55 Ų | 55 | 48.1 Ų | 48.1 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | trans | -87.8 | 121.9 | -177.9 | -167.2 | 177 | 28 | 0 | 0 | 110.8 | L1376 T1379 I1383 | L1376-Q1381 HydrophobicContact CD1-CB 4.27Å; L1376-Q1381 HydrophobicContact CD1-CG 4.27Å; L1376-Q1381 PolarHBondContact N-O 3.03Å; T1379-Q1381 WeakPolarHBondContact OG1-CB 3.31Å; T1379-Q1381 PolarHBondContact OG1-N 3.46Å; Q1381-I1383 HydrophobicContact CG-CG2 4.38Å | ||
| 1382 | F | 68.3 | Low | 74.8 | Confident | 60 Ų | 60 | 42.2 Ų | 42.2 | 26% | 0.263 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 134.1 | 174 | -71.3 | -91.5 | 0 | 0 | 0 | 110.2 | Y1374 R1375 E1380 | Y1374-F1382 WeakPolarHBondContact O-CA 3.11Å; R1375-F1382 HydrophobicContact CB-CD1 3.99Å; R1375-F1382 HydrophobicContact CB-CE1 3.82Å; R1375-F1382 HydrophobicContact CB-CZ 4.36Å; R1375-F1382 HydrophobicContact CG-CE1 4.25Å; R1375-F1382 HydrophobicContact CG-CZ 4.3Å; E1380-F1382 WeakPolarHBondContact O-CD2 3.35Å |
| 1383 | I | 75.8 | Confident | 75.8 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 140.7 | -178.7 | 59.1 | 167 | 0 | 0 | 0 | 112.5 | Y1373 Y1374 L1376 Q1381 L1385 F1388 I1396 I1428 | Y1373-I1383 CarbonylContact C-O 3.12Å; Y1373-I1383 WeakPolarHBondContact CA-O 3.29Å; Y1374-I1383 HydrophobicContact CD1-CD1 4.22Å; Y1374-I1383 HydrophobicContact CD1-CG1 4.15Å; Y1374-I1383 PolarHBondContact N-O 3.47Å; Y1374-I1383 WeakPolarHBondContact O-CG1 3.44Å; Y1374-I1383 PolarHBondContact O-N 3.49Å; L1376-I1383 HydrophobicContact CD1-CD1 4.12Å; L1376-I1383 HydrophobicContact CD1-CG1 4.39Å; L1376-I1383 HydrophobicContact CD1-CG2 3.92Å; L1376-I1383 HydrophobicContact CD2-CD1 4.03Å; L1376-I1383 HydrophobicContact CG-CD1 4.04Å; L1376-I1383 HydrophobicContact CG-CG1 4.25Å; Q1381-I1383 HydrophobicContact CG-CG2 4.38Å; I1383-L1385 PolarHBondContact O-N 3.4Å; I1383-F1388 HydrophobicContact CB-CE2 3.73Å; I1383-F1388 HydrophobicContact CB-CZ 3.75Å; I1383-F1388 HydrophobicContact CD1-CD2 4.21Å; I1383-F1388 HydrophobicContact CD1-CE2 3.82Å; I1383-F1388 HydrophobicContact CG1-CE2 4.31Å; I1383-F1388 HydrophobicContact CG2-CE2 4.01Å; I1383-F1388 HydrophobicContact CG2-CZ 3.99Å; I1383-I1396 HydrophobicContact CD1-CD1 3.99Å; I1383-I1428 HydrophobicContact CG2-CD1 4.32Å |
| 1384 | P | 84 | Confident | 76.4 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.039 | 21% | 0.205 | C | C | . | . | trans | -78.8 | 65 | 178.3 | 34.5 | -38.1 | 0 | 0 | 0 | 111.4 | D1343 R1347 Y1373 R1386 W1387 F1388 | D1343-P1384 HydrophobicContact CB-CG 4.43Å; D1343-P1384 WeakPolarHBondContact OD1-CB 3.38Å; D1343-P1384 WeakPolarHBondContact OD1-CG 3.44Å; R1347-P1384 VanDerWaalsContact NH2-CB 3.32Å; Y1373-P1384 HydrophobicContact CD1-CB 4.09Å; Y1373-P1384 HydrophobicContact CE1-CB 3.95Å; Y1373-P1384 HydrophobicContact CE1-CG 4.33Å; P1384-R1386 PolarHBondContact O-N 3.49Å; P1384-W1387 HydrophobicContact CB-CE3 3.98Å; P1384-W1387 PolarHBondContact O-N 3.35Å; P1384-F1388 VanDerWaalsContact CD-CE1 3.47Å; P1384-F1388 HydrophobicContact CG-CD1 3.92Å; P1384-F1388 HydrophobicContact CG-CE1 3.47Å; P1384-F1388 VanDerWaalsContact CG-CE1 3.47Å; P1384-F1388 HydrophobicContact CG-CZ 4.29Å; P1384-F1388 PolarHBondContact O-N 2.79Å | ||
| 1385 | L | 88.4 | Confident | 76.5 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -34.6 | -170.3 | 175.8 | 63.7 | 0 | 0 | 0 | 114.8 | Y1374 I1383 W1387 F1388 I1393 D1459 I1462 I1463 | Y1374-L1385 HydrophobicContact CD1-CD2 4.39Å; Y1374-L1385 HydrophobicContact CD2-CD2 4.04Å; Y1374-L1385 HydrophobicContact CG-CD2 3.87Å; I1383-L1385 PolarHBondContact O-N 3.4Å; L1385-W1387 VanDerWaalsContact C-N 3.29Å; L1385-W1387 PolarHBondContact O-N 3.45Å; L1385-F1388 PolarHBondContact O-N 2.62Å; L1385-I1393 HydrophobicContact CD1-CD1 4.15Å; L1385-I1393 HydrophobicContact CD1-CG1 4.12Å; L1385-D1459 HydrophobicContact CD2-CB 3.67Å; L1385-I1462 HydrophobicContact CD1-CG2 4.15Å; L1385-I1462 HydrophobicContact CG-CG2 4.05Å; L1385-I1463 HydrophobicContact CD1-CG1 3.94Å; L1385-I1463 HydrophobicContact CD2-CD1 4.18Å; L1385-I1463 HydrophobicContact CD2-CG1 4Å |
| 1386 | R | 90.1 | Very high | 76.7 | Confident | 23 Ų | 23 | 37.7 Ų | 37.7 | 9% | 0.087 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -14.7 | -179 | -70.6 | 169 | 179 | -79.1 | -15 | 114.2 | P1384 P1453 L1454 L1457 D1459 I1462 | P1384-R1386 PolarHBondContact O-N 3.49Å; R1386-P1453 HydrophobicContact CB-CB 4.48Å; R1386-P1453 PolarHBondContact NH1-O 3.44Å; R1386-L1454 VanDerWaalsContact NH1-C 3.25Å; R1386-L1454 PolarHBondContact NH1-O 3.12Å; R1386-L1457 PolarHBondContact NH1-O 3Å; R1386-L1457 PolarHBondContact NH2-O 2.86Å; R1386-D1459 IonicContact CZ-OD1 2.96Å; R1386-D1459 IonicContact NE-OD1 3.28Å; R1386-D1459 PolarHBondContact NE-OD1 3.44Å; R1386-D1459 IonicContact NH2-OD1 2.67Å; R1386-D1459 PolarHBondContact NH2-OD1 2.96Å; R1386-I1462 HydrophobicContact CG-CD1 3.75Å |
| 1387 | W | 92 | Very high | 76.9 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -7 | 174.8 | -63.1 | -103.9 | 0 | 0 | 0 | 112.8 | A1345 R1347 E1372 P1384 L1385 A1438 I1441 E1445 P1453 | A1345-W1387 HydrophobicContact CB-CD2 4.1Å; A1345-W1387 HydrophobicContact CB-CG 4.13Å; A1345-W1387 HydrophobicContact CB-CZ2 4.3Å; A1345-W1387 VanDerWaalsContact CB-NE1 3.33Å; R1347-W1387 VanDerWaalsContact NH1-CZ2 3.3Å; E1372-W1387 HydrophobicContact CB-CH2 4.05Å; E1372-W1387 HydrophobicContact CB-CZ3 4.07Å; E1372-W1387 HydrophobicContact CG-CH2 4.39Å; E1372-W1387 WeakPolarHBondContact OE2-CH2 3.42Å; P1384-W1387 HydrophobicContact CB-CE3 3.98Å; P1384-W1387 PolarHBondContact O-N 3.35Å; L1385-W1387 VanDerWaalsContact C-N 3.29Å; L1385-W1387 PolarHBondContact O-N 3.45Å; W1387-A1438 HydrophobicContact CB-CB 4.31Å; W1387-I1441 VanDerWaalsContact CD1-CG2 3.49Å; W1387-I1441 HydrophobicContact CG-CB 4.48Å; W1387-I1441 HydrophobicContact CG-CG2 4.12Å; W1387-E1445 PolarHBondContact NE1-OE2 2.8Å; W1387-P1453 HydrophobicContact CZ2-CG 3.8Å |
| 1388 | F | 90.6 | Very high | 77.3 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | trans | -72.8 | 139.5 | -177.8 | -88.2 | 15 | 0 | 0 | 0 | 113.4 | I1383 P1384 L1385 L1392 I1393 I1396 Y1430 W1437 | I1383-F1388 HydrophobicContact CB-CE2 3.73Å; I1383-F1388 HydrophobicContact CB-CZ 3.75Å; I1383-F1388 HydrophobicContact CD1-CD2 4.21Å; I1383-F1388 HydrophobicContact CD1-CE2 3.82Å; I1383-F1388 HydrophobicContact CG1-CE2 4.31Å; I1383-F1388 HydrophobicContact CG2-CE2 4.01Å; I1383-F1388 HydrophobicContact CG2-CZ 3.99Å; P1384-F1388 VanDerWaalsContact CD-CE1 3.47Å; P1384-F1388 HydrophobicContact CG-CD1 3.92Å; P1384-F1388 HydrophobicContact CG-CE1 3.47Å; P1384-F1388 VanDerWaalsContact CG-CE1 3.47Å; P1384-F1388 HydrophobicContact CG-CZ 4.29Å; P1384-F1388 PolarHBondContact O-N 2.79Å; L1385-F1388 PolarHBondContact O-N 2.62Å; F1388-L1392 HydrophobicContact CD1-CD1 4.22Å; F1388-L1392 HydrophobicContact CD2-CB 3.96Å; F1388-L1392 HydrophobicContact CD2-CD1 4.44Å; F1388-L1392 HydrophobicContact CE1-CD1 4.44Å; F1388-L1392 HydrophobicContact CE2-CB 4.42Å; F1388-L1392 HydrophobicContact CG-CB 4.32Å; F1388-L1392 HydrophobicContact CG-CD1 4.21Å; F1388-I1393 HydrophobicContact CB-CD1 4.29Å; F1388-I1393 HydrophobicContact CB-CG1 3.94Å; F1388-I1396 HydrophobicContact CD2-CD1 4.07Å; F1388-I1396 HydrophobicContact CE2-CD1 3.53Å; F1388-Y1430 AromaticContact CE1-CE1 3.66Å; F1388-Y1430 HydrophobicContact CE1-CE1 3.66Å; F1388-Y1430 AromaticContact CZ-CE1 3.71Å; F1388-Y1430 HydrophobicContact CZ-CE1 3.71Å; F1388-Y1430 AromaticContact CZ-CZ 3.94Å; F1388-Y1430 WeakPolarHBondContact CZ-OH 3.45Å; F1388-W1437 PolarHBondContact O-NE1 3.02Å; F1388-W1437 VanDerWaalsContact O-NE1 3.09Å | ||
| 1389 | A | 91.6 | Very high | 77.6 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | trans | -72.6 | 151.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1391 L1392 I1393 W1437 | A1389-E1391 VanDerWaalsContact C-N 3.26Å; A1389-E1391 VanDerWaalsContact CB-CD 3.45Å; A1389-E1391 HydrophobicContact CB-CG 4.49Å; A1389-E1391 WeakPolarHBondContact CB-OE1 3.28Å; A1389-E1391 WeakPolarHBondContact CB-OE2 3.32Å; A1389-E1391 PolarHBondContact O-N 2.96Å; A1389-E1391 VanDerWaalsContact O-N 3.16Å; A1389-L1392 PolarHBondContact O-N 3.32Å; A1389-I1393 PolarHBondContact O-N 3.46Å; A1389-W1437 HydrophobicContact CB-CB 3.85Å; A1389-W1437 HydrophobicContact CB-CD2 4.1Å; A1389-W1437 HydrophobicContact CB-CG 3.76Å | ||
| 1390 | P | 89.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.9 | -36.4 | -174.4 | -28.8 | 36.7 | 0 | 0 | 0 | 115 | I1393 H1394 W1437 T1469 A1470 | P1390-I1393 PolarHBondContact O-N 3.11Å; P1390-H1394 PolarHBondContact O-N 2.94Å; P1390-W1437 HydrophobicContact CG-CE3 4.49Å; P1390-W1437 HydrophobicContact CG-CH2 3.5Å; P1390-W1437 VanDerWaalsContact CG-CH2 3.5Å; P1390-W1437 HydrophobicContact CG-CZ2 3.92Å; P1390-W1437 HydrophobicContact CG-CZ3 3.82Å; P1390-T1469 HydrophobicContact CB-CG2 3.94Å; P1390-T1469 HydrophobicContact CG-CG2 3.66Å; P1390-A1470 HydrophobicContact CB-CB 4.37Å |
| 1391 | E | 87.7 | Confident | 76.9 | Confident | 38 Ų | 38 | 28 Ų | 28 | 18% | 0.178 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.7 | -39 | 178.3 | 62 | -83.1 | -165.2 | 0 | 0 | 112.8 | A1389 H1394 E1395 P1516 R1519 | A1389-E1391 VanDerWaalsContact C-N 3.26Å; A1389-E1391 VanDerWaalsContact CB-CD 3.45Å; A1389-E1391 HydrophobicContact CB-CG 4.49Å; A1389-E1391 WeakPolarHBondContact CB-OE1 3.28Å; A1389-E1391 WeakPolarHBondContact CB-OE2 3.32Å; A1389-E1391 PolarHBondContact O-N 2.96Å; A1389-E1391 VanDerWaalsContact O-N 3.16Å; E1391-H1394 PolarHBondContact O-N 3.31Å; E1391-E1395 PolarHBondContact O-N 3.28Å; E1391-E1395 VanDerWaalsContact O-N 3.12Å; E1391-P1516 HydrophobicContact CG-CG 4.34Å; E1391-R1519 IonicContact OE1-CZ 3.8Å; E1391-R1519 IonicContact OE1-NH1 3.06Å; E1391-R1519 PolarHBondContact OE1-NH1 3.4Å; E1391-R1519 IonicContact OE1-NH2 3.27Å; E1391-R1519 PolarHBondContact OE1-NH2 3.37Å; E1391-R1519 IonicContact OE2-CZ 2.7Å; E1391-R1519 IonicContact OE2-NH1 2.66Å; E1391-R1519 IonicContact OE2-NH2 3.7Å; E1391-R1519 PolarHBondContact OE2-NH2 2.82Å |
| 1392 | L | 88.8 | Confident | 75.6 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.6 | -41.6 | 177.4 | -54.6 | -176.3 | 0 | 0 | 0 | 110.8 | F1388 A1389 H1394 E1395 I1396 I1428 Y1430 | F1388-L1392 HydrophobicContact CD1-CD1 4.22Å; F1388-L1392 HydrophobicContact CD2-CB 3.96Å; F1388-L1392 HydrophobicContact CD2-CD1 4.44Å; F1388-L1392 HydrophobicContact CE1-CD1 4.44Å; F1388-L1392 HydrophobicContact CE2-CB 4.42Å; F1388-L1392 HydrophobicContact CG-CB 4.32Å; F1388-L1392 HydrophobicContact CG-CD1 4.21Å; A1389-L1392 PolarHBondContact O-N 3.32Å; L1392-H1394 VanDerWaalsContact C-N 3.31Å; L1392-H1394 PolarHBondContact O-N 3.08Å; L1392-E1395 PolarHBondContact O-N 2.96Å; L1392-I1396 WeakPolarHBondContact O-CD1 3.29Å; L1392-I1396 VanDerWaalsContact O-CG1 3.24Å; L1392-I1396 WeakPolarHBondContact O-CG1 3.48Å; L1392-I1396 PolarHBondContact O-N 3.2Å; L1392-I1428 HydrophobicContact CB-CG2 4.47Å; L1392-I1428 HydrophobicContact CD2-CG2 3.98Å; L1392-Y1430 HydrophobicContact CD1-CD1 3.67Å; L1392-Y1430 HydrophobicContact CD1-CE1 3.94Å |
| 1393 | I | 87.1 | Confident | 73.8 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 175.9 | -62.4 | 174.7 | 0 | 0 | 0 | 110.5 | L1385 F1388 A1389 P1390 T1397 I1462 I1463 L1492 | L1385-I1393 HydrophobicContact CD1-CD1 4.15Å; L1385-I1393 HydrophobicContact CD1-CG1 4.12Å; F1388-I1393 HydrophobicContact CB-CD1 4.29Å; F1388-I1393 HydrophobicContact CB-CG1 3.94Å; A1389-I1393 PolarHBondContact O-N 3.46Å; P1390-I1393 PolarHBondContact O-N 3.11Å; I1393-T1397 WeakPolarHBondContact O-CG2 3.44Å; I1393-T1397 PolarHBondContact O-N 2.83Å; I1393-T1397 PolarHBondContact O-OG1 2.99Å; I1393-I1462 HydrophobicContact CD1-CG2 4.21Å; I1393-I1463 HydrophobicContact CG2-CG2 4.49Å; I1393-I1463 WeakPolarHBondContact CG2-O 3.47Å; I1393-L1492 HydrophobicContact CD1-CD2 3.94Å |
| 1394 | H | 83.2 | Confident | 71.7 | Confident | 41 Ų | 41 | 37.9 Ų | 37.9 | 19% | 0.19 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.2 | -54.6 | 177.2 | -176.9 | 58.4 | 0 | 0 | 0 | 111.6 | P1390 E1391 L1392 I1396 T1397 T1398 A1470 | P1390-H1394 PolarHBondContact O-N 2.94Å; E1391-H1394 PolarHBondContact O-N 3.31Å; L1392-H1394 VanDerWaalsContact C-N 3.31Å; L1392-H1394 PolarHBondContact O-N 3.08Å; H1394-I1396 PolarHBondContact O-N 2.95Å; H1394-T1397 PolarHBondContact O-N 3.37Å; H1394-T1397 VanDerWaalsContact O-N 3.09Å; H1394-T1397 PolarHBondContact O-OG1 3.18Å; H1394-T1398 PolarHBondContact O-N 3.25Å; H1394-T1398 PolarHBondContact O-OG1 2.81Å; H1394-A1470 HydrophobicContact CB-CB 3.57Å |
| 1395 | E | 78.2 | Confident | 69.1 | Low | 66 Ų | 66 | 42 Ų | 42 | 31% | 0.308 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.8 | -38.2 | -172 | -176.8 | 160.2 | 167.5 | 0 | 0 | 113.8 | E1391 L1392 T1397 T1398 N1399 P1429 | E1391-E1395 PolarHBondContact O-N 3.28Å; E1391-E1395 VanDerWaalsContact O-N 3.12Å; L1392-E1395 PolarHBondContact O-N 2.96Å; E1395-T1397 VanDerWaalsContact C-N 3.27Å; E1395-T1397 PolarHBondContact O-N 3.3Å; E1395-T1398 WeakPolarHBondContact CA-OG1 3.26Å; E1395-T1398 PolarHBondContact O-N 3.5Å; E1395-T1398 PolarHBondContact O-OG1 3.33Å; E1395-N1399 WeakPolarHBondContact CG-ND2 3.43Å; E1395-N1399 WeakPolarHBondContact O-CB 3.24Å; E1395-N1399 PolarHBondContact O-N 2.9Å; E1395-N1399 PolarHBondContact O-ND2 3.36Å; E1395-P1429 VanDerWaalsContact CD-CD 3.4Å; E1395-P1429 WeakPolarHBondContact OE1-CD 3.37Å; E1395-P1429 WeakPolarHBondContact OE2-CD 3.33Å; E1395-P1429 WeakPolarHBondContact OE2-CG 3.39Å |
| 1396 | I | 73.9 | Confident | 66.3 | Low | 11 Ų | 11 | 45.3 Ų | 45.3 | 6% | 0.056 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -37.9 | 176.7 | -67.9 | 166.3 | 0 | 0 | 0 | 111 | L1376 I1383 F1388 L1392 H1394 T1400 I1428 | L1376-I1396 HydrophobicContact CD1-CG2 3.71Å; L1376-I1396 HydrophobicContact CD2-CG2 3.32Å; L1376-I1396 HydrophobicContact CG-CG2 4.17Å; I1383-I1396 HydrophobicContact CD1-CD1 3.99Å; F1388-I1396 HydrophobicContact CD2-CD1 4.07Å; F1388-I1396 HydrophobicContact CE2-CD1 3.53Å; L1392-I1396 WeakPolarHBondContact O-CD1 3.29Å; L1392-I1396 VanDerWaalsContact O-CG1 3.24Å; L1392-I1396 WeakPolarHBondContact O-CG1 3.48Å; L1392-I1396 PolarHBondContact O-N 3.2Å; H1394-I1396 PolarHBondContact O-N 2.95Å; I1396-T1400 PolarHBondContact O-N 2.81Å; I1396-T1400 VanDerWaalsContact O-N 3.17Å; I1396-T1400 PolarHBondContact O-OG1 2.66Å; I1396-I1428 HydrophobicContact CD1-CD1 3.63Å; I1396-I1428 HydrophobicContact CD1-CG1 4.04Å; I1396-I1428 HydrophobicContact CD1-CG2 4.33Å; I1396-I1428 HydrophobicContact CG1-CD1 3.9Å; I1396-I1428 HydrophobicContact CG1-CG1 3.84Å |
| 1397 | T | 71 | Confident | 63.4 | Low | 25 Ų | 25 | 55 Ų | 55 | 15% | 0.153 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -78.4 | -28.3 | 178.8 | 64.2 | 0 | 0 | 0 | 0 | 114.1 | I1393 H1394 E1395 T1400 T1401 I1463 Q1467 | I1393-T1397 WeakPolarHBondContact O-CG2 3.44Å; I1393-T1397 PolarHBondContact O-N 2.83Å; I1393-T1397 PolarHBondContact O-OG1 2.99Å; H1394-T1397 PolarHBondContact O-N 3.37Å; H1394-T1397 VanDerWaalsContact O-N 3.09Å; H1394-T1397 PolarHBondContact O-OG1 3.18Å; E1395-T1397 VanDerWaalsContact C-N 3.27Å; E1395-T1397 PolarHBondContact O-N 3.3Å; T1397-T1400 WeakPolarHBondContact CA-OG1 2.97Å; T1397-T1400 PolarHBondContact O-OG1 2.78Å; T1397-T1401 WeakPolarHBondContact O-CG2 3.49Å; T1397-T1401 PolarHBondContact O-N 3.36Å; T1397-T1401 PolarHBondContact O-OG1 3.39Å; T1397-I1463 HydrophobicContact CG2-CG2 3.83Å; T1397-Q1467 PolarHBondContact OG1-NE2 2.82Å |
| 1398 | T | 67.7 | Low | 60.3 | Low | 47 Ų | 47 | 63.1 Ų | 63.1 | 29% | 0.288 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -73.2 | -41.6 | 171.9 | 50.4 | 0 | 0 | 0 | 0 | 111.4 | H1394 E1395 T1400 T1401 M1402 | H1394-T1398 PolarHBondContact O-N 3.25Å; H1394-T1398 PolarHBondContact O-OG1 2.81Å; E1395-T1398 WeakPolarHBondContact CA-OG1 3.26Å; E1395-T1398 PolarHBondContact O-N 3.5Å; E1395-T1398 PolarHBondContact O-OG1 3.33Å; T1398-T1400 PolarHBondContact O-N 3.23Å; T1398-T1401 WeakPolarHBondContact CA-OG1 3.22Å; T1398-T1401 PolarHBondContact O-N 3.08Å; T1398-T1401 PolarHBondContact O-OG1 3.1Å; T1398-T1401 VanDerWaalsContact O-OG1 3.06Å; T1398-M1402 VanDerWaalsContact O-CG 3.31Å; T1398-M1402 WeakPolarHBondContact O-CG 3.2Å; T1398-M1402 PolarHBondContact O-N 3.29Å |
| 1399 | N | 56.6 | Low | 57.3 | Low | 49 Ų | 49 | 68.3 Ų | 68.3 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -67.6 | -35.7 | 179.2 | -74.8 | -36.3 | 0 | 0 | 0 | 112.7 | E1395 P1426 | E1395-N1399 WeakPolarHBondContact CG-ND2 3.43Å; E1395-N1399 WeakPolarHBondContact O-CB 3.24Å; E1395-N1399 PolarHBondContact O-N 2.9Å; E1395-N1399 PolarHBondContact O-ND2 3.36Å; N1399-P1426 HydrophobicContact CB-CB 4.07Å; N1399-P1426 HydrophobicContact CB-CG 3.96Å |
| 1400 | T | 51 | Low | 54.1 | Low | 54 Ų | 54 | 73.8 Ų | 73.8 | 33% | 0.331 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.2 | -31.9 | 173.8 | 40.3 | 0 | 0 | 0 | 0 | 113.4 | I1396 T1397 T1398 | I1396-T1400 PolarHBondContact O-N 2.81Å; I1396-T1400 VanDerWaalsContact O-N 3.17Å; I1396-T1400 PolarHBondContact O-OG1 2.66Å; T1397-T1400 WeakPolarHBondContact CA-OG1 2.97Å; T1397-T1400 PolarHBondContact O-OG1 2.78Å; T1398-T1400 PolarHBondContact O-N 3.23Å |
| 1401 | T | 40.5 | Very low | 51.1 | Low | 83 Ų | 83 | 81 Ų | 81 | 51% | 0.509 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -78.7 | -32.2 | 178.6 | 45.1 | 0 | 0 | 0 | 0 | 113.4 | T1397 T1398 N1403 T1404 T1405 | T1397-T1401 WeakPolarHBondContact O-CG2 3.49Å; T1397-T1401 PolarHBondContact O-N 3.36Å; T1397-T1401 PolarHBondContact O-OG1 3.39Å; T1398-T1401 WeakPolarHBondContact CA-OG1 3.22Å; T1398-T1401 PolarHBondContact O-N 3.08Å; T1398-T1401 PolarHBondContact O-OG1 3.1Å; T1398-T1401 VanDerWaalsContact O-OG1 3.06Å; T1401-N1403 VanDerWaalsContact C-N 3.31Å; T1401-N1403 PolarHBondContact O-N 2.9Å; T1401-T1404 PolarHBondContact O-N 3.42Å; T1401-T1404 PolarHBondContact O-OG1 3.11Å; T1401-T1405 PolarHBondContact O-N 3.19Å; T1401-T1405 PolarHBondContact O-OG1 2.7Å |
| 1402 | M | 32.2 | Very low | 48 | Very low | 123 Ų | 123 | 84.2 Ų | 84.2 | 61% | 0.606 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -55.9 | -43.2 | 170.5 | -72.8 | -77 | -176.1 | 0 | 0 | 112.4 | T1398 T1404 T1405 A1406 | T1398-M1402 VanDerWaalsContact O-CG 3.31Å; T1398-M1402 WeakPolarHBondContact O-CG 3.2Å; T1398-M1402 PolarHBondContact O-N 3.29Å; M1402-T1404 PolarHBondContact O-N 3.43Å; M1402-T1405 PolarHBondContact O-N 3.21Å; M1402-T1405 PolarHBondContact O-OG1 2.92Å; M1402-A1406 WeakPolarHBondContact O-CB 3.29Å; M1402-A1406 PolarHBondContact O-N 3.12Å |
| 1403 | N | 30.5 | Very low | 45.1 | Very low | 101 Ų | 101 | 91.6 Ų | 91.6 | 54% | 0.54 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.3 | -19.1 | -178.7 | -81.9 | -27.6 | 0 | 0 | 0 | 114.4 | T1401 | T1401-N1403 VanDerWaalsContact C-N 3.31Å; T1401-N1403 PolarHBondContact O-N 2.9Å |
| 1404 | T | 29.8 | Very low | 42.1 | Very low | 103 Ų | 103 | 94.8 Ų | 94.8 | 63% | 0.632 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -87.2 | -26.3 | 174.2 | 52 | 0 | 0 | 0 | 0 | 114.1 | T1401 M1402 | T1401-T1404 PolarHBondContact O-N 3.42Å; T1401-T1404 PolarHBondContact O-OG1 3.11Å; M1402-T1404 PolarHBondContact O-N 3.43Å |
| 1405 | T | 29.7 | Very low | 39.5 | Very low | 92 Ų | 92 | 100.6 Ų | 100.6 | 56% | 0.564 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -95.6 | -29.8 | -177.8 | 47.9 | 0 | 0 | 0 | 0 | 113.4 | T1401 M1402 R1407 H1408 | T1401-T1405 PolarHBondContact O-N 3.19Å; T1401-T1405 PolarHBondContact O-OG1 2.7Å; M1402-T1405 PolarHBondContact O-N 3.21Å; M1402-T1405 PolarHBondContact O-OG1 2.92Å; T1405-R1407 PolarHBondContact O-N 3.31Å; T1405-H1408 PolarHBondContact O-N 2.82Å; T1405-H1408 VanDerWaalsContact O-N 3.16Å |
| 1406 | A | 30.1 | Very low | 37.1 | Very low | 76 Ų | 76 | 105.1 Ų | 105.1 | 63% | 0.628 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -14.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1402 H1408 | M1402-A1406 WeakPolarHBondContact O-CB 3.29Å; M1402-A1406 PolarHBondContact O-N 3.12Å; A1406-H1408 VanDerWaalsContact C-N 3.31Å; A1406-H1408 PolarHBondContact O-N 2.95Å |
| 1407 | R | 29.1 | Very low | 34.8 | Very low | 226 Ų | 226 | 111.4 Ų | 111.4 | 85% | 0.853 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -1.2 | 176.7 | -75.2 | -176.1 | 171.8 | 168.3 | 0 | 114.9 | T1405 | T1405-R1407 PolarHBondContact O-N 3.31Š|
| 1408 | H | 26.9 | Very low | 32.7 | Very low | 175 Ų | 175 | 119.8 Ų | 119.8 | 81% | 0.81 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -130.8 | 8.2 | -170.5 | -121.8 | -79.3 | 0 | 0 | 0 | 116.7 | T1405 A1406 | T1405-H1408 PolarHBondContact O-N 2.82Å; T1405-H1408 VanDerWaalsContact O-N 3.16Å; A1406-H1408 VanDerWaalsContact C-N 3.31Å; A1406-H1408 PolarHBondContact O-N 2.95Å |
| 1409 | V | 27.3 | Very low | 30.7 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 70% | 0.703 | 66% | 0.663 | S | S | * | * | trans | -127.2 | 103 | 177.3 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1410 | S | 24.4 | Very low | 29.3 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | trans | -88.2 | 128.3 | 160.2 | 56.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1411 | L | 26.3 | Very low | 28.2 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | trans | -159.9 | 97.8 | 163.1 | -109 | 159.6 | 0 | 0 | 0 | 112.1 | ||||
| 1412 | C | 24.3 | Very low | 27.5 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 72% | 0.716 | 70% | 0.703 | S | S | * | * | trans | 53.4 | 140.6 | 145.8 | -59.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1413 | N | 27 | Very low | 27.2 | Very low | 159 Ų | 159 | 132 Ų | 132 | 85% | 0.85 | 71% | 0.708 | S | S | * | * | trans | 76.3 | 59.9 | 148.6 | -57.6 | -6.4 | 0 | 0 | 0 | 120.1 | ||||
| 1414 | G | 24.9 | Very low | 27 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 73% | 0.732 | 72% | 0.718 | S | S | * | * | 58.9 | 95.7 | 119 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1415 | H | 28.1 | Very low | 27 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | -145.9 | 154.7 | 122.8 | -123.6 | -93.5 | 0 | 0 | 0 | 111.1 | |||||
| 1416 | E | 27.5 | Very low | 27.4 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | trans | -15.7 | 120.1 | -178 | -64.3 | 165.9 | 116.9 | 0 | 0 | 120.5 | K1418 | E1416-K1418 PolarHBondContact O-N 2.98Š| ||
| 1417 | N | 26.6 | Very low | 28.4 | Very low | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 70% | 0.7 | S | S | * | * | trans | -72.7 | 109.8 | 170.3 | -93.1 | -43.8 | 0 | 0 | 0 | 112.6 | ||||
| 1418 | K | 26 | Very low | 30 | Very low | 201 Ų | 201 | 119.3 Ų | 119.3 | 87% | 0.874 | 66% | 0.664 | S | S | * | * | trans | -145.8 | 26.1 | 176.8 | -109.2 | -171.6 | -176.8 | -179.2 | 0 | 117.3 | E1416 | E1416-K1418 PolarHBondContact O-N 2.98Š| ||
| 1419 | S | 26.6 | Very low | 32.1 | Very low | 63 Ų | 63 | 114.2 Ų | 114.2 | 44% | 0.441 | 65% | 0.647 | S | S | . | * | trans | -154.9 | 16.6 | -179.7 | 51.9 | 0 | 0 | 0 | 0 | 117.9 | K1421 Q1422 | S1419-K1421 PolarHBondContact O-N 2.78Å; S1419-Q1422 PolarHBondContact O-N 3.1Å | ||
| 1420 | L | 26.7 | Very low | 34.6 | Very low | 132 Ų | 132 | 111.5 Ų | 111.5 | 69% | 0.691 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 23.1 | -173.1 | -89.6 | 166.1 | 0 | 0 | 0 | 117.2 | L1423 | L1420-L1423 HydrophobicContact CD2-CD1 4.49Š|
| 1421 | K | 27 | Very low | 37.5 | Very low | 178 Ų | 178 | 108 Ų | 108 | 77% | 0.774 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | -1.9 | 168.6 | -83 | -166.4 | 174.2 | -172.5 | 0 | 114.8 | S1419 | S1419-K1421 PolarHBondContact O-N 2.78Š|
| 1422 | Q | 26.3 | Very low | 40.5 | Very low | 102 Ų | 102 | 103.1 Ų | 103.1 | 48% | 0.477 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -95.6 | -8.6 | 179.1 | -79.1 | 167.3 | -50.6 | 0 | 0 | 114.4 | N1184 S1419 A1424 | N1184-Q1422 VanDerWaalsContact CG-OE1 3.31Å; N1184-Q1422 VanDerWaalsContact OD1-CB 3.28Å; N1184-Q1422 WeakPolarHBondContact OD1-CB 3.43Å; N1184-Q1422 VanDerWaalsContact OD1-CD 3.24Å; N1184-Q1422 PolarHBondContact OD1-OE1 2.84Å; S1419-Q1422 PolarHBondContact O-N 3.1Å; Q1422-A1424 PolarHBondContact O-N 3.14Å |
| 1423 | L | 25 | Very low | 43.8 | Very low | 137 Ų | 137 | 99.8 Ų | 99.8 | 72% | 0.717 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 25.2 | 178.9 | -78.7 | 158.7 | 0 | 0 | 0 | 114.3 | L1420 | L1420-L1423 HydrophobicContact CD2-CD1 4.49Š|
| 1424 | A | 26.8 | Very low | 46.8 | Very low | 90 Ų | 90 | 92.4 Ų | 92.4 | 74% | 0.744 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -12.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q1422 | Q1422-A1424 PolarHBondContact O-N 3.14Š|
| 1425 | N | 30.6 | Very low | 50.1 | Low | 99 Ų | 99 | 89.1 Ų | 89.1 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | trans | -152.8 | 111.6 | 175.4 | -154.2 | -1 | 0 | 0 | 0 | 110.9 | A1427 | N1425-A1427 PolarHBondContact O-N 2.94Š| ||
| 1426 | P | 38.3 | Very low | 53.3 | Low | 48 Ų | 48 | 81.4 Ų | 81.4 | 31% | 0.312 | 44% | 0.441 | S | S | . | . | trans | -72.2 | 123.7 | 174.9 | 30 | -32.6 | 0 | 0 | 0 | 109.9 | N1399 I1428 | N1399-P1426 HydrophobicContact CB-CB 4.07Å; N1399-P1426 HydrophobicContact CB-CG 3.96Å; P1426-I1428 PolarHBondContact O-N 3.48Å; P1426-I1428 VanDerWaalsContact O-N 3.15Å | ||
| 1427 | A | 51.3 | Low | 56.5 | Low | 73 Ų | 73 | 74 Ų | 74 | 60% | 0.603 | 41% | 0.406 | S | S | * | . | trans | -73.4 | 107 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | M1183 N1425 P1429 | M1183-A1427 HydrophobicContact CE-CB 4.45Å; N1425-A1427 PolarHBondContact O-N 2.94Å; A1427-P1429 WeakPolarHBondContact O-CD 3.04Å | ||
| 1428 | I | 61.7 | Low | 59.7 | Low | 21 Ų | 21 | 67.3 Ų | 67.3 | 11% | 0.108 | 37% | 0.372 | C | S | . | . | trans | -60.4 | 119.8 | 177.1 | -59.8 | 164.8 | 0 | 0 | 0 | 109 | I1383 L1392 I1396 P1426 Y1430 | I1383-I1428 HydrophobicContact CG2-CD1 4.32Å; L1392-I1428 HydrophobicContact CB-CG2 4.47Å; L1392-I1428 HydrophobicContact CD2-CG2 3.98Å; I1396-I1428 HydrophobicContact CD1-CD1 3.63Å; I1396-I1428 HydrophobicContact CD1-CG1 4.04Å; I1396-I1428 HydrophobicContact CD1-CG2 4.33Å; I1396-I1428 HydrophobicContact CG1-CD1 3.9Å; I1396-I1428 HydrophobicContact CG1-CG1 3.84Å; P1426-I1428 PolarHBondContact O-N 3.48Å; P1426-I1428 VanDerWaalsContact O-N 3.15Å; I1428-Y1430 VanDerWaalsContact C-N 3.34Å; I1428-Y1430 HydrophobicContact CB-CD2 4.22Å; I1428-Y1430 HydrophobicContact CB-CE2 3.71Å; I1428-Y1430 HydrophobicContact CG2-CD2 4.04Å; I1428-Y1430 HydrophobicContact CG2-CE1 4.23Å; I1428-Y1430 HydrophobicContact CG2-CE2 3.7Å; I1428-Y1430 HydrophobicContact CG2-CG 4.45Å; I1428-Y1430 WeakPolarHBondContact O-CD2 3.36Å; I1428-Y1430 PolarHBondContact O-N 2.81Å | ||
| 1429 | P | 71.7 | Confident | 63.1 | Low | 69 Ų | 69 | 57.8 Ų | 57.8 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | trans | -86.2 | 74.2 | -173.7 | 33.6 | -34.1 | 0 | 0 | 0 | 111.5 | E1395 A1427 | E1395-P1429 VanDerWaalsContact CD-CD 3.4Å; E1395-P1429 WeakPolarHBondContact OE1-CD 3.37Å; E1395-P1429 WeakPolarHBondContact OE2-CD 3.33Å; E1395-P1429 WeakPolarHBondContact OE2-CG 3.39Å; A1427-P1429 WeakPolarHBondContact O-CD 3.04Å | ||
| 1430 | Y | 79.3 | Confident | 66.3 | Low | 58 Ų | 58 | 54.8 Ų | 54.8 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | trans | -58 | 144.8 | 168.5 | -56.5 | -91.3 | 0 | 0 | 0 | 111.3 | R1342 F1388 L1392 I1428 | R1342-Y1430 HydrophobicContact CB-CD1 3.59Å; R1342-Y1430 HydrophobicContact CB-CD2 4.07Å; R1342-Y1430 HydrophobicContact CB-CE1 3.77Å; R1342-Y1430 HydrophobicContact CB-CE2 4.22Å; R1342-Y1430 HydrophobicContact CB-CG 3.74Å; R1342-Y1430 HydrophobicContact CG-CD1 3.97Å; R1342-Y1430 HydrophobicContact CG-CD2 3.84Å; R1342-Y1430 HydrophobicContact CG-CE2 4.4Å; R1342-Y1430 HydrophobicContact CG-CG 3.59Å; R1342-Y1430 WeakPolarHBondContact O-CE1 3.36Å; F1388-Y1430 AromaticContact CE1-CE1 3.66Å; F1388-Y1430 HydrophobicContact CE1-CE1 3.66Å; F1388-Y1430 AromaticContact CZ-CE1 3.71Å; F1388-Y1430 HydrophobicContact CZ-CE1 3.71Å; F1388-Y1430 AromaticContact CZ-CZ 3.94Å; F1388-Y1430 WeakPolarHBondContact CZ-OH 3.45Å; L1392-Y1430 HydrophobicContact CD1-CD1 3.67Å; L1392-Y1430 HydrophobicContact CD1-CE1 3.94Å; I1428-Y1430 VanDerWaalsContact C-N 3.34Å; I1428-Y1430 HydrophobicContact CB-CD2 4.22Å; I1428-Y1430 HydrophobicContact CB-CE2 3.71Å; I1428-Y1430 HydrophobicContact CG2-CD2 4.04Å; I1428-Y1430 HydrophobicContact CG2-CE1 4.23Å; I1428-Y1430 HydrophobicContact CG2-CE2 3.7Å; I1428-Y1430 HydrophobicContact CG2-CG 4.45Å; I1428-Y1430 WeakPolarHBondContact O-CD2 3.36Å; I1428-Y1430 PolarHBondContact O-N 2.81Å | ||
| 1431 | S | 85.7 | Confident | 69.5 | Low | 43 Ų | 43 | 48.6 Ų | 48.6 | 30% | 0.301 | 28% | 0.277 | S | S | . | . | trans | -138.3 | 164 | 176.3 | 63 | 0 | 0 | 0 | 0 | 111.3 | Q1433 S1434 D1435 | S1431-Q1433 PolarHBondContact O-N 3.23Å; S1431-S1434 PolarHBondContact N-OG 2.7Å; S1431-S1434 WeakPolarHBondContact O-CA 3.48Å; S1431-S1434 WeakPolarHBondContact O-CB 3.33Å; S1431-S1434 PolarHBondContact O-N 3.38Å; S1431-S1434 PolarHBondContact O-OG 3.14Å; S1431-S1434 PolarHBondContact OG-N 2.97Å; S1431-D1435 PolarHBondContact O-N 2.84Å; S1431-D1435 VanDerWaalsContact O-N 3.1Å | ||
| 1432 | T | 88.9 | Confident | 72.7 | Confident | 48 Ų | 48 | 40.1 Ų | 40.1 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -52.1 | -39.7 | 171.1 | 48.3 | 0 | 0 | 0 | 0 | 112 | A1335 V1340 S1434 D1435 V1436 | A1335-T1432 HydrophobicContact CB-CG2 4.1Å; V1340-T1432 HydrophobicContact CG2-CG2 4.31Å; T1432-S1434 VanDerWaalsContact C-N 3.25Å; T1432-S1434 PolarHBondContact O-N 2.86Å; T1432-D1435 CarbonylContact O-C 3.5Å; T1432-D1435 PolarHBondContact O-N 3.01Å; T1432-D1435 VanDerWaalsContact O-N 3.08Å; T1432-V1436 WeakPolarHBondContact O-CG2 3.48Å; T1432-V1436 PolarHBondContact O-N 3.26Å |
| 1433 | Q | 92.8 | Very high | 76 | Confident | 36 Ų | 36 | 35.3 Ų | 35.3 | 17% | 0.168 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.2 | -22.7 | 176.7 | -56.8 | -56.8 | 91 | 0 | 0 | 113.5 | S1431 W1437 P1516 R1519 | S1431-Q1433 PolarHBondContact O-N 3.23Å; Q1433-W1437 PolarHBondContact O-N 3.22Å; Q1433-P1516 HydrophobicContact CB-CB 3.97Å; Q1433-P1516 PolarHBondContact NE2-O 3.49Å; Q1433-R1519 PolarHBondContact NE2-O 2.77Å; Q1433-R1519 WeakPolarHBondContact O-CD 3.15Å; Q1433-R1519 PolarHBondContact O-NH1 3.5Å |
| 1434 | S | 91.5 | Very high | 79.2 | Confident | 4 Ų | 4 | 29.4 Ų | 29.4 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -81.1 | -30.4 | 170.2 | 69.1 | 0 | 0 | 0 | 0 | 112.7 | S1431 T1432 W1437 A1438 | S1431-S1434 PolarHBondContact N-OG 2.7Å; S1431-S1434 WeakPolarHBondContact O-CA 3.48Å; S1431-S1434 WeakPolarHBondContact O-CB 3.33Å; S1431-S1434 PolarHBondContact O-N 3.38Å; S1431-S1434 PolarHBondContact O-OG 3.14Å; S1431-S1434 PolarHBondContact OG-N 2.97Å; T1432-S1434 VanDerWaalsContact C-N 3.25Å; T1432-S1434 PolarHBondContact O-N 2.86Å; S1434-W1437 WeakPolarHBondContact O-CB 3.4Å; S1434-W1437 PolarHBondContact O-N 2.6Å; S1434-A1438 PolarHBondContact O-N 3.16Å |
| 1435 | D | 92.8 | Very high | 82.3 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.011 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -70.5 | -33.2 | 168.6 | -71.5 | -31.9 | 0 | 0 | 0 | 111.6 | M1331 V1340 H1341 R1342 S1431 T1432 W1437 A1438 F1439 F1522 | M1331-D1435 HydrophobicContact CE-CB 4.01Å; V1340-D1435 WeakPolarHBondContact CA-OD2 3.36Å; V1340-D1435 WeakPolarHBondContact CG1-OD2 3.08Å; H1341-D1435 PolarHBondContact N-OD2 2.8Å; R1342-D1435 PolarHBondContact N-OD1 2.89Å; S1431-D1435 PolarHBondContact O-N 2.84Å; S1431-D1435 VanDerWaalsContact O-N 3.1Å; T1432-D1435 CarbonylContact O-C 3.5Å; T1432-D1435 PolarHBondContact O-N 3.01Å; T1432-D1435 VanDerWaalsContact O-N 3.08Å; D1435-W1437 VanDerWaalsContact C-N 3.27Å; D1435-W1437 PolarHBondContact O-N 3.31Å; D1435-A1438 CarbonylContact O-C 3.49Å; D1435-A1438 PolarHBondContact O-N 3.33Å; D1435-A1438 VanDerWaalsContact O-N 3.15Å; D1435-F1439 WeakPolarHBondContact O-CB 3.5Å; D1435-F1439 PolarHBondContact O-N 3.47Å; D1435-F1522 HydrophobicContact CB-CE2 4.02Å; D1435-F1522 HydrophobicContact CB-CZ 4.03Å |
| 1436 | V | 96.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.4 | -37 | 172.9 | 166.4 | 0 | 0 | 0 | 0 | 111.8 | T1432 G1440 C1511 R1519 P1520 F1522 I1525 | T1432-V1436 WeakPolarHBondContact O-CG2 3.48Å; T1432-V1436 PolarHBondContact O-N 3.26Å; V1436-G1440 PolarHBondContact O-N 3.48Å; V1436-C1511 HydrophobicContact CG1-CB 4.07Å; V1436-R1519 HydrophobicContact CG1-CB 3.9Å; V1436-P1520 HydrophobicContact CG1-CG 4.36Å; V1436-P1520 WeakPolarHBondContact CG2-O 3.45Å; V1436-F1522 HydrophobicContact CB-CZ 4.37Å; V1436-F1522 HydrophobicContact CG2-CD1 4.4Å; V1436-F1522 HydrophobicContact CG2-CD2 3.94Å; V1436-F1522 HydrophobicContact CG2-CE1 4.1Å; V1436-F1522 HydrophobicContact CG2-CE2 3.6Å; V1436-F1522 HydrophobicContact CG2-CG 4.33Å; V1436-F1522 HydrophobicContact CG2-CZ 3.69Å; V1436-I1525 HydrophobicContact CG1-CD1 3.97Å; V1436-I1525 HydrophobicContact CG2-CD1 4.16Å |
| 1437 | W | 95 | Very high | 87.9 | Confident | 5 Ų | 5 | 18.3 Ų | 18.3 | 2% | 0.019 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.2 | -48.7 | 172.5 | 179.5 | -80.2 | 0 | 0 | 0 | 111.1 | F1388 A1389 P1390 Q1433 S1434 D1435 F1439 G1440 I1441 L1492 W1512 | F1388-W1437 PolarHBondContact O-NE1 3.02Å; F1388-W1437 VanDerWaalsContact O-NE1 3.09Å; A1389-W1437 HydrophobicContact CB-CB 3.85Å; A1389-W1437 HydrophobicContact CB-CD2 4.1Å; A1389-W1437 HydrophobicContact CB-CG 3.76Å; P1390-W1437 HydrophobicContact CG-CE3 4.49Å; P1390-W1437 HydrophobicContact CG-CH2 3.5Å; P1390-W1437 VanDerWaalsContact CG-CH2 3.5Å; P1390-W1437 HydrophobicContact CG-CZ2 3.92Å; P1390-W1437 HydrophobicContact CG-CZ3 3.82Å; Q1433-W1437 PolarHBondContact O-N 3.22Å; S1434-W1437 WeakPolarHBondContact O-CB 3.4Å; S1434-W1437 PolarHBondContact O-N 2.6Å; D1435-W1437 VanDerWaalsContact C-N 3.27Å; D1435-W1437 PolarHBondContact O-N 3.31Å; W1437-F1439 PolarHBondContact O-N 3.43Å; W1437-G1440 PolarHBondContact O-N 2.73Å; W1437-G1440 VanDerWaalsContact O-N 3.15Å; W1437-I1441 PolarHBondContact O-N 2.91Å; W1437-L1492 VanDerWaalsContact CH2-O 3.29Å; W1437-L1492 WeakPolarHBondContact CH2-O 3.12Å; W1437-L1492 HydrophobicContact CZ2-CD2 4.36Å; W1437-L1492 HydrophobicContact CZ2-CG 4.28Å; W1437-W1512 AromaticContact CD2-CD1 3.85Å; W1437-W1512 HydrophobicContact CE3-CB 4.14Å; W1437-W1512 HydrophobicContact CH2-CB 4.2Å; W1437-W1512 HydrophobicContact CZ3-CB 3.87Å; W1437-W1512 WeakPolarHBondContact CZ3-O 3.44Å; W1437-W1512 PolarHBondContact O-NE1 3.29Å |
| 1438 | A | 94.1 | Very high | 89.6 | Confident | 5 Ų | 5 | 16.2 Ų | 16.2 | 4% | 0.041 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.3 | -36.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1344 W1387 S1434 D1435 G1440 I1441 L1442 | L1344-A1438 HydrophobicContact CB-CB 4.06Å; W1387-A1438 HydrophobicContact CB-CB 4.31Å; S1434-A1438 PolarHBondContact O-N 3.16Å; D1435-A1438 CarbonylContact O-C 3.49Å; D1435-A1438 PolarHBondContact O-N 3.33Å; D1435-A1438 VanDerWaalsContact O-N 3.15Å; A1438-G1440 VanDerWaalsContact C-N 3.31Å; A1438-G1440 PolarHBondContact O-N 3.5Å; A1438-I1441 WeakPolarHBondContact O-CA 3.42Å; A1438-I1441 WeakPolarHBondContact O-CB 3.35Å; A1438-I1441 PolarHBondContact O-N 3.48Å; A1438-L1442 PolarHBondContact O-N 3.24Å |
| 1439 | F | 96.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.3 | -42.5 | 171.2 | 175.2 | -88.7 | 0 | 0 | 0 | 111.3 | L1327 A1328 L1344 D1435 W1437 I1441 L1442 V1443 F1522 I1525 I1529 | L1327-F1439 HydrophobicContact CB-CE2 3.92Å; A1328-F1439 HydrophobicContact CB-CE2 4.19Å; A1328-F1439 HydrophobicContact CB-CZ 4.06Å; L1344-F1439 HydrophobicContact CD2-CB 3.81Å; L1344-F1439 HydrophobicContact CD2-CD2 4.43Å; D1435-F1439 WeakPolarHBondContact O-CB 3.5Å; D1435-F1439 PolarHBondContact O-N 3.47Å; W1437-F1439 PolarHBondContact O-N 3.43Å; F1439-I1441 VanDerWaalsContact C-N 3.28Å; F1439-I1441 PolarHBondContact O-N 3.34Å; F1439-L1442 WeakPolarHBondContact O-CB 3.38Å; F1439-L1442 PolarHBondContact O-N 3.4Å; F1439-L1442 VanDerWaalsContact O-N 3.17Å; F1439-V1443 HydrophobicContact CD1-CG2 4.16Å; F1439-V1443 HydrophobicContact CE1-CG2 3.63Å; F1439-V1443 HydrophobicContact CE2-CG2 4.47Å; F1439-V1443 HydrophobicContact CZ-CG2 3.81Å; F1439-V1443 WeakPolarHBondContact O-CG2 3.39Å; F1439-V1443 PolarHBondContact O-N 3.49Å; F1439-F1522 HydrophobicContact CB-CE1 3.74Å; F1439-F1522 HydrophobicContact CB-CZ 4.12Å; F1439-F1522 AromaticContact CD2-CE1 3.88Å; F1439-F1522 HydrophobicContact CD2-CE1 3.88Å; F1439-F1522 AromaticContact CG-CE1 3.8Å; F1439-F1522 HydrophobicContact CG-CE1 3.8Å; F1439-I1525 HydrophobicContact CD1-CD1 4.22Å; F1439-I1525 HydrophobicContact CD1-CG2 4.17Å; F1439-I1525 HydrophobicContact CE1-CD1 4.46Å; F1439-I1525 HydrophobicContact CE1-CG2 3.41Å; F1439-I1525 VanDerWaalsContact CE1-CG2 3.41Å; F1439-I1525 HydrophobicContact CE2-CG2 4.44Å; F1439-I1525 HydrophobicContact CZ-CG2 3.58Å; F1439-I1529 HydrophobicContact CE1-CD1 3.96Å; F1439-I1529 HydrophobicContact CZ-CD1 3.7Å |
| 1440 | G | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.7 | -41 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1436 W1437 A1438 C1444 W1512 | V1436-G1440 PolarHBondContact O-N 3.48Å; W1437-G1440 PolarHBondContact O-N 2.73Å; W1437-G1440 VanDerWaalsContact O-N 3.15Å; A1438-G1440 VanDerWaalsContact C-N 3.31Å; A1438-G1440 PolarHBondContact O-N 3.5Å; G1440-C1444 PolarHBondContact O-N 3.24Å; G1440-W1512 VanDerWaalsContact O-CZ2 3.31Å; G1440-W1512 WeakPolarHBondContact O-CZ2 2.97Å |
| 1441 | I | 94 | Very high | 91.8 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.9 | -44 | 174.5 | -51.7 | -56.1 | 0 | 0 | 0 | 111.4 | W1387 W1437 A1438 F1439 V1443 C1444 E1445 P1453 P1494 W1512 | W1387-I1441 VanDerWaalsContact CD1-CG2 3.49Å; W1387-I1441 HydrophobicContact CG-CB 4.48Å; W1387-I1441 HydrophobicContact CG-CG2 4.12Å; W1437-I1441 PolarHBondContact O-N 2.91Å; A1438-I1441 WeakPolarHBondContact O-CA 3.42Å; A1438-I1441 WeakPolarHBondContact O-CB 3.35Å; A1438-I1441 PolarHBondContact O-N 3.48Å; F1439-I1441 VanDerWaalsContact C-N 3.28Å; F1439-I1441 PolarHBondContact O-N 3.34Å; I1441-V1443 PolarHBondContact O-N 3.23Å; I1441-C1444 CarbonylContact O-C 3.48Å; I1441-C1444 WeakPolarHBondContact O-CA 3.4Å; I1441-C1444 WeakPolarHBondContact O-CB 3.49Å; I1441-C1444 PolarHBondContact O-N 2.86Å; I1441-C1444 VanDerWaalsContact O-N 3.08Å; I1441-E1445 PolarHBondContact O-N 2.75Å; I1441-P1453 HydrophobicContact CG2-CB 3.49Å; I1441-P1453 VanDerWaalsContact CG2-CB 3.49Å; I1441-P1453 HydrophobicContact CG2-CG 3.42Å; I1441-P1453 VanDerWaalsContact CG2-CG 3.42Å; I1441-P1494 HydrophobicContact CD1-CG 3.38Å; I1441-W1512 HydrophobicContact CD1-CZ2 4.3Å |
| 1442 | L | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61 | -40.5 | 178.2 | 171.2 | 56.3 | 0 | 0 | 0 | 112.6 | L1327 L1344 A1346 V1349 A1438 F1439 C1444 E1445 V1446 | L1327-L1442 HydrophobicContact CD1-CD1 4.33Å; L1327-L1442 HydrophobicContact CD1-CD2 3.77Å; L1327-L1442 HydrophobicContact CD1-CG 3.88Å; L1327-L1442 HydrophobicContact CD2-CD2 3.8Å; L1327-L1442 HydrophobicContact CG-CD2 4.38Å; L1344-L1442 HydrophobicContact CD1-CD2 3.79Å; L1344-L1442 HydrophobicContact CD2-CD2 4.45Å; L1344-L1442 HydrophobicContact CG-CD2 3.9Å; A1346-L1442 HydrophobicContact CB-CD1 3.77Å; V1349-L1442 HydrophobicContact CG2-CD2 4.13Å; A1438-L1442 PolarHBondContact O-N 3.24Å; F1439-L1442 WeakPolarHBondContact O-CB 3.38Å; F1439-L1442 PolarHBondContact O-N 3.4Å; F1439-L1442 VanDerWaalsContact O-N 3.17Å; L1442-C1444 VanDerWaalsContact C-N 3.29Å; L1442-C1444 PolarHBondContact O-N 3Å; L1442-E1445 WeakPolarHBondContact O-CA 3.27Å; L1442-E1445 WeakPolarHBondContact O-CB 3.33Å; L1442-E1445 PolarHBondContact O-N 3.15Å; L1442-V1446 PolarHBondContact O-N 2.84Å |
| 1443 | V | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.6 | -38.7 | 172.9 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | F1439 I1441 V1446 F1447 L1504 L1508 | F1439-V1443 HydrophobicContact CD1-CG2 4.16Å; F1439-V1443 HydrophobicContact CE1-CG2 3.63Å; F1439-V1443 HydrophobicContact CE2-CG2 4.47Å; F1439-V1443 HydrophobicContact CZ-CG2 3.81Å; F1439-V1443 WeakPolarHBondContact O-CG2 3.39Å; F1439-V1443 PolarHBondContact O-N 3.49Å; I1441-V1443 PolarHBondContact O-N 3.23Å; V1443-V1446 PolarHBondContact O-N 2.98Å; V1443-F1447 HydrophobicContact CG1-CD2 4Å; V1443-F1447 HydrophobicContact CG1-CE2 4.26Å; V1443-F1447 WeakPolarHBondContact O-CD2 3.3Å; V1443-F1447 PolarHBondContact O-N 3.44Å; V1443-L1504 HydrophobicContact CG1-CD1 4.49Å; V1443-L1504 HydrophobicContact CG1-CD2 3.94Å; V1443-L1504 HydrophobicContact CG1-CG 4.39Å; V1443-L1508 HydrophobicContact CB-CD2 3.79Å; V1443-L1508 HydrophobicContact CG1-CD1 3.93Å; V1443-L1508 HydrophobicContact CG1-CD2 3.93Å; V1443-L1508 HydrophobicContact CG1-CG 4.42Å; V1443-L1508 HydrophobicContact CG2-CD2 4.21Å |
| 1444 | C | 92.1 | Very high | 90.9 | Very high | 14 Ų | 14 | 12.2 Ų | 12.2 | 10% | 0.095 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.2 | -35.1 | 171.1 | -79.6 | 0 | 0 | 0 | 0 | 113 | G1440 I1441 L1442 S1448 | G1440-C1444 PolarHBondContact O-N 3.24Å; I1441-C1444 CarbonylContact O-C 3.48Å; I1441-C1444 WeakPolarHBondContact O-CA 3.4Å; I1441-C1444 WeakPolarHBondContact O-CB 3.49Å; I1441-C1444 PolarHBondContact O-N 2.86Å; I1441-C1444 VanDerWaalsContact O-N 3.08Å; L1442-C1444 VanDerWaalsContact C-N 3.29Å; L1442-C1444 PolarHBondContact O-N 3Å; C1444-S1448 WeakPolarHBondContact O-CB 3.45Å; C1444-S1448 PolarHBondContact O-N 2.79Å; C1444-S1448 PolarHBondContact O-OG 2.93Å |
| 1445 | E | 92.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 171.3 | -65.8 | -171.7 | 96.7 | 0 | 0 | 111.2 | K1296 A1346 W1387 I1441 L1442 S1448 L1449 A1450 P1453 | K1296-E1445 WeakPolarHBondContact CE-OE1 3.39Å; K1296-E1445 IonicContact NZ-OE1 3.69Å; K1296-E1445 PolarHBondContact NZ-OE1 2.87Å; A1346-E1445 HydrophobicContact CB-CB 3.96Å; A1346-E1445 HydrophobicContact CB-CG 4.42Å; A1346-E1445 PolarHBondContact N-OE2 2.97Å; W1387-E1445 PolarHBondContact NE1-OE2 2.8Å; I1441-E1445 PolarHBondContact O-N 2.75Å; L1442-E1445 WeakPolarHBondContact O-CA 3.27Å; L1442-E1445 WeakPolarHBondContact O-CB 3.33Å; L1442-E1445 PolarHBondContact O-N 3.15Å; E1445-S1448 PolarHBondContact O-OG 3.43Å; E1445-L1449 PolarHBondContact O-N 2.81Å; E1445-A1450 PolarHBondContact O-N 2.81Å; E1445-P1453 HydrophobicContact CG-CG 3.88Å |
| 1446 | V | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.4 | -49.3 | 176.3 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | L1295 L1299 K1320 I1323 L1327 L1442 V1443 | L1295-V1446 HydrophobicContact CD2-CG2 4.14Å; L1299-V1446 HydrophobicContact CD1-CG2 4.34Å; K1320-V1446 HydrophobicContact CB-CG1 4.06Å; K1320-V1446 HydrophobicContact CG-CG1 4.25Å; I1323-V1446 HydrophobicContact CG2-CG1 4.28Å; I1323-V1446 HydrophobicContact CG2-CG2 3.94Å; L1327-V1446 HydrophobicContact CD1-CG2 4.45Å; L1442-V1446 PolarHBondContact O-N 2.84Å; V1443-V1446 PolarHBondContact O-N 2.98Å |
| 1447 | F | 92.4 | Very high | 89 | Confident | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -72.6 | -34.8 | -176.4 | -85.7 | -94.9 | 0 | 0 | 0 | 113.5 | K1320 M1321 V1443 L1449 D1499 I1500 L1504 | K1320-F1447 HydrophobicContact CB-CE1 4.18Å; K1320-F1447 HydrophobicContact CB-CE2 4.11Å; K1320-F1447 HydrophobicContact CB-CZ 3.87Å; K1320-F1447 HydrophobicContact CD-CD1 3.84Å; K1320-F1447 HydrophobicContact CD-CE1 3.96Å; K1320-F1447 HydrophobicContact CD-CG 4.25Å; K1320-F1447 HydrophobicContact CD-CZ 4.47Å; K1320-F1447 PolarHBondContact NZ-O 3.2Å; M1321-F1447 HydrophobicContact CG-CZ 4.4Å; M1321-F1447 HydrophobicContact SD-CE2 4.48Å; M1321-F1447 HydrophobicContact SD-CZ 3.96Å; V1443-F1447 HydrophobicContact CG1-CD2 4Å; V1443-F1447 HydrophobicContact CG1-CE2 4.26Å; V1443-F1447 WeakPolarHBondContact O-CD2 3.3Å; V1443-F1447 PolarHBondContact O-N 3.44Å; F1447-L1449 VanDerWaalsContact C-N 3.32Å; F1447-L1449 PolarHBondContact O-N 3.39Å; F1447-D1499 HydrophobicContact CD1-CB 4.14Å; F1447-D1499 WeakPolarHBondContact CD1-O 3.43Å; F1447-D1499 WeakPolarHBondContact CE1-O 3.1Å; F1447-I1500 HydrophobicContact CB-CD1 4.2Å; F1447-I1500 HydrophobicContact CB-CG1 3.61Å; F1447-I1500 HydrophobicContact CD1-CB 4.48Å; F1447-I1500 HydrophobicContact CD1-CG1 3.86Å; F1447-I1500 HydrophobicContact CD2-CG1 4.23Å; F1447-I1500 HydrophobicContact CG-CG1 3.62Å; F1447-L1504 HydrophobicContact CD2-CD2 4.4Å; F1447-L1504 HydrophobicContact CE2-CD2 3.6Å; F1447-L1504 HydrophobicContact CZ-CD2 3.89Å |
| 1448 | S | 88.4 | Confident | 88.4 | Confident | 30 Ų | 30 | 28.4 Ų | 28.4 | 21% | 0.21 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 1.5 | 178.2 | 67.3 | 0 | 0 | 0 | 0 | 115.6 | C1444 E1445 A1451 | C1444-S1448 WeakPolarHBondContact O-CB 3.45Å; C1444-S1448 PolarHBondContact O-N 2.79Å; C1444-S1448 PolarHBondContact O-OG 2.93Å; E1445-S1448 PolarHBondContact O-OG 3.43Å; S1448-A1451 PolarHBondContact OG-N 2.81Å |
| 1449 | L | 88.6 | Confident | 87.8 | Confident | 35 Ų | 35 | 30.7 Ų | 30.7 | 18% | 0.183 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 58 | -171.4 | -55.6 | -179.2 | 0 | 0 | 0 | 112 | L1299 M1302 R1303 L1315 E1445 F1447 A1451 | L1299-L1449 HydrophobicContact CD2-CD2 3.79Å; M1302-L1449 HydrophobicContact CB-CD2 4.44Å; R1303-L1449 HydrophobicContact CB-CB 4Å; R1303-L1449 HydrophobicContact CB-CD1 4.16Å; L1315-L1449 HydrophobicContact CD1-CD2 4.47Å; E1445-L1449 PolarHBondContact O-N 2.81Å; F1447-L1449 VanDerWaalsContact C-N 3.32Å; F1447-L1449 PolarHBondContact O-N 3.39Å; L1449-A1451 VanDerWaalsContact C-N 3.31Å; L1449-A1451 PolarHBondContact O-N 2.83Å |
| 1450 | A | 86.8 | Confident | 87.1 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 56.4 | 35.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K1296 L1299 R1300 E1445 | K1296-A1450 HydrophobicContact CG-CB 3.75Å; K1296-A1450 WeakPolarHBondContact O-CB 3.46Å; L1299-A1450 HydrophobicContact CB-CB 3.69Å; L1299-A1450 HydrophobicContact CD1-CB 4.4Å; R1300-A1450 HydrophobicContact CG-CB 3.86Å; E1445-A1450 PolarHBondContact O-N 2.81Å |
| 1451 | A | 82.9 | Confident | 86.6 | Confident | 32 Ų | 32 | 37.3 Ų | 37.3 | 26% | 0.264 | 20% | 0.204 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 148.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | S1448 L1449 P1453 | S1448-A1451 PolarHBondContact OG-N 2.81Å; L1449-A1451 VanDerWaalsContact C-N 3.31Å; L1449-A1451 PolarHBondContact O-N 2.83Å; A1451-P1453 WeakPolarHBondContact O-CD 3.37Å |
| 1452 | L | 81.1 | Confident | 86.3 | Confident | 79 Ų | 79 | 37.2 Ų | 37.2 | 41% | 0.414 | 20% | 0.203 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 122.4 | -176.4 | -178.9 | 68.2 | 0 | 0 | 0 | 111.3 | L1454 A1455 | L1452-L1454 PolarHBondContact O-N 2.79Å; L1452-A1455 HydrophobicContact CB-CB 4.27Å; L1452-A1455 HydrophobicContact CD2-CB 4.48Å; L1452-A1455 WeakPolarHBondContact O-CB 3.14Å; L1452-A1455 PolarHBondContact O-N 2.78Å |
| 1453 | P | 84.2 | Confident | 85.8 | Confident | 14 Ų | 14 | 38 Ų | 38 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 139 | 175.4 | -27.4 | 37.4 | 0 | 0 | 0 | 112.6 | R1386 W1387 I1441 E1445 A1451 A1455 | R1386-P1453 HydrophobicContact CB-CB 4.48Å; R1386-P1453 PolarHBondContact NH1-O 3.44Å; W1387-P1453 HydrophobicContact CZ2-CG 3.8Å; I1441-P1453 HydrophobicContact CG2-CB 3.49Å; I1441-P1453 VanDerWaalsContact CG2-CB 3.49Å; I1441-P1453 HydrophobicContact CG2-CG 3.42Å; I1441-P1453 VanDerWaalsContact CG2-CG 3.42Å; E1445-P1453 HydrophobicContact CG-CG 3.88Å; A1451-P1453 WeakPolarHBondContact O-CD 3.37Å; P1453-A1455 PolarHBondContact O-N 3.06Å |
| 1454 | L | 83.7 | Confident | 85.2 | Confident | 27 Ų | 27 | 39.9 Ų | 39.9 | 14% | 0.141 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 32.1 | -179.6 | -56.5 | 168.3 | 0 | 0 | 0 | 113.4 | R1386 L1452 R1456 L1457 I1462 L1492 P1494 | R1386-L1454 VanDerWaalsContact NH1-C 3.25Å; R1386-L1454 PolarHBondContact NH1-O 3.12Å; L1452-L1454 PolarHBondContact O-N 2.79Å; L1454-R1456 PolarHBondContact O-N 2.76Å; L1454-L1457 HydrophobicContact CD2-CD1 4.37Å; L1454-L1457 PolarHBondContact O-N 3.17Å; L1454-I1462 HydrophobicContact CB-CD1 3.9Å; L1454-I1462 HydrophobicContact CB-CG1 4.49Å; L1454-I1462 HydrophobicContact CD1-CD1 3.98Å; L1454-I1462 HydrophobicContact CD1-CG1 4.23Å; L1454-I1462 HydrophobicContact CD1-CG2 4.4Å; L1454-L1492 HydrophobicContact CD1-CD1 3.95Å; L1454-L1492 HydrophobicContact CD2-CD1 4.38Å; L1454-P1494 HydrophobicContact CD2-CB 4.3Å; L1454-P1494 HydrophobicContact CD2-CG 4.23Å |
| 1455 | A | 78.3 | Confident | 84.9 | Confident | 71 Ų | 71 | 40.2 Ų | 40.2 | 59% | 0.587 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -25.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1452 P1453 L1457 | L1452-A1455 HydrophobicContact CB-CB 4.27Å; L1452-A1455 HydrophobicContact CD2-CB 4.48Å; L1452-A1455 WeakPolarHBondContact O-CB 3.14Å; L1452-A1455 PolarHBondContact O-N 2.78Å; P1453-A1455 PolarHBondContact O-N 3.06Å; A1455-L1457 PolarHBondContact O-N 3.02Å |
| 1456 | R | 80.6 | Confident | 84.6 | Confident | 176 Ų | 176 | 40.1 Ų | 40.1 | 66% | 0.664 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73 | -6 | 175.3 | -68 | 175.8 | 171.8 | 169.4 | -5.1 | 114.6 | L1454 D1495 | L1454-R1456 PolarHBondContact O-N 2.76Å; R1456-D1495 IonicContact CZ-OD2 3.37Å; R1456-D1495 IonicContact NE-OD2 3.24Å; R1456-D1495 IonicContact NH1-OD2 2.83Å; R1456-D1495 PolarHBondContact NH1-OD2 3.44Å |
| 1457 | L | 81.7 | Confident | 84.1 | Confident | 51 Ų | 51 | 42.6 Ų | 42.6 | 27% | 0.267 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -123.4 | 134.4 | -178.2 | -59.7 | 178.2 | 0 | 0 | 0 | 110.8 | R1386 L1454 A1455 E1461 I1462 L1492 | R1386-L1457 PolarHBondContact NH1-O 3Å; R1386-L1457 PolarHBondContact NH2-O 2.86Å; L1454-L1457 HydrophobicContact CD2-CD1 4.37Å; L1454-L1457 PolarHBondContact O-N 3.17Å; A1455-L1457 PolarHBondContact O-N 3.02Å; L1457-E1461 HydrophobicContact CB-CB 4.32Å; L1457-E1461 HydrophobicContact CD2-CB 4.36Å; L1457-I1462 HydrophobicContact CB-CD1 4.26Å; L1457-I1462 HydrophobicContact CB-CG1 3.73Å; L1457-I1462 HydrophobicContact CD1-CG1 4.15Å; L1457-L1492 HydrophobicContact CD1-CD1 4.22Å |
| 1458 | S | 82.5 | Confident | 83.6 | Confident | 52 Ų | 52 | 48.5 Ų | 48.5 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | trans | -70.2 | 157.3 | 166.1 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | Q1460 E1461 I1462 | S1458-Q1460 PolarHBondContact O-N 3.42Å; S1458-E1461 VanDerWaalsContact CB-OE2 3.31Å; S1458-E1461 WeakPolarHBondContact CB-OE2 3.1Å; S1458-E1461 PolarHBondContact N-OE2 3.41Å; S1458-E1461 WeakPolarHBondContact O-CA 3.32Å; S1458-E1461 WeakPolarHBondContact O-CB 3.43Å; S1458-E1461 PolarHBondContact O-N 2.83Å; S1458-E1461 WeakPolarHBondContact OG-CG 3.16Å; S1458-E1461 PolarHBondContact OG-N 3.29Å; S1458-E1461 PolarHBondContact OG-OE2 3.48Å; S1458-I1462 WeakPolarHBondContact O-CG1 3.5Å; S1458-I1462 PolarHBondContact O-N 2.88Å | ||
| 1459 | D | 81.8 | Confident | 83.4 | Confident | 54 Ų | 54 | 47.1 Ų | 47.1 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.3 | -36.9 | -178.6 | -67.9 | 3.2 | 0 | 0 | 0 | 112.3 | Y1374 L1385 R1386 E1461 I1462 I1463 | Y1374-D1459 HydrophobicContact CD2-CB 3.98Å; Y1374-D1459 HydrophobicContact CE2-CB 4.24Å; L1385-D1459 HydrophobicContact CD2-CB 3.67Å; R1386-D1459 IonicContact CZ-OD1 2.96Å; R1386-D1459 IonicContact NE-OD1 3.28Å; R1386-D1459 PolarHBondContact NE-OD1 3.44Å; R1386-D1459 IonicContact NH2-OD1 2.67Å; R1386-D1459 PolarHBondContact NH2-OD1 2.96Å; D1459-E1461 VanDerWaalsContact C-N 3.34Å; D1459-E1461 PolarHBondContact O-N 3.37Å; D1459-I1462 PolarHBondContact O-N 3.38Å; D1459-I1463 VanDerWaalsContact O-CG1 3.31Å; D1459-I1463 WeakPolarHBondContact O-CG1 3.35Å; D1459-I1463 PolarHBondContact O-N 3.35Å |
| 1460 | Q | 80.3 | Confident | 83 | Confident | 102 Ų | 102 | 45.6 Ų | 45.6 | 48% | 0.477 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.4 | -32.4 | 175.7 | -173.2 | 57.7 | 55.4 | 0 | 0 | 112.8 | S1458 V1464 | S1458-Q1460 PolarHBondContact O-N 3.42Å; Q1460-V1464 VanDerWaalsContact O-CG2 3.29Å; Q1460-V1464 WeakPolarHBondContact O-CG2 3.34Å; Q1460-V1464 PolarHBondContact O-N 2.88Å; Q1460-V1464 VanDerWaalsContact O-N 3.12Å |
| 1461 | E | 84.3 | Confident | 82.3 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 17% | 0.173 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73 | -37.6 | 172.5 | -70.4 | 167.5 | 101.9 | 0 | 0 | 111.9 | P1036 L1457 S1458 D1459 I1463 V1464 A1465 | P1036-E1461 HydrophobicContact CG-CG 4.2Å; P1036-E1461 WeakPolarHBondContact CG-OE1 3.15Å; L1457-E1461 HydrophobicContact CB-CB 4.32Å; L1457-E1461 HydrophobicContact CD2-CB 4.36Å; S1458-E1461 VanDerWaalsContact CB-OE2 3.31Å; S1458-E1461 WeakPolarHBondContact CB-OE2 3.1Å; S1458-E1461 PolarHBondContact N-OE2 3.41Å; S1458-E1461 WeakPolarHBondContact O-CA 3.32Å; S1458-E1461 WeakPolarHBondContact O-CB 3.43Å; S1458-E1461 PolarHBondContact O-N 2.83Å; S1458-E1461 WeakPolarHBondContact OG-CG 3.16Å; S1458-E1461 PolarHBondContact OG-N 3.29Å; S1458-E1461 PolarHBondContact OG-OE2 3.48Å; D1459-E1461 VanDerWaalsContact C-N 3.34Å; D1459-E1461 PolarHBondContact O-N 3.37Å; E1461-I1463 VanDerWaalsContact C-N 3.35Å; E1461-V1464 PolarHBondContact O-N 3.47Å; E1461-A1465 WeakPolarHBondContact O-CB 3.46Å; E1461-A1465 PolarHBondContact O-N 3.21Å |
| 1462 | I | 87.1 | Confident | 81.6 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.2 | -44 | 174.1 | -63.7 | 173.9 | 0 | 0 | 0 | 110.1 | L1385 R1386 I1393 L1454 L1457 S1458 D1459 V1464 A1465 G1466 L1492 | L1385-I1462 HydrophobicContact CD1-CG2 4.15Å; L1385-I1462 HydrophobicContact CG-CG2 4.05Å; R1386-I1462 HydrophobicContact CG-CD1 3.75Å; I1393-I1462 HydrophobicContact CD1-CG2 4.21Å; L1454-I1462 HydrophobicContact CB-CD1 3.9Å; L1454-I1462 HydrophobicContact CB-CG1 4.49Å; L1454-I1462 HydrophobicContact CD1-CD1 3.98Å; L1454-I1462 HydrophobicContact CD1-CG1 4.23Å; L1454-I1462 HydrophobicContact CD1-CG2 4.4Å; L1457-I1462 HydrophobicContact CB-CD1 4.26Å; L1457-I1462 HydrophobicContact CB-CG1 3.73Å; L1457-I1462 HydrophobicContact CD1-CG1 4.15Å; S1458-I1462 WeakPolarHBondContact O-CG1 3.5Å; S1458-I1462 PolarHBondContact O-N 2.88Å; D1459-I1462 PolarHBondContact O-N 3.38Å; I1462-V1464 PolarHBondContact O-N 3.17Å; I1462-A1465 PolarHBondContact O-N 3.3Å; I1462-G1466 PolarHBondContact O-N 3.33Å; I1462-L1492 HydrophobicContact CG2-CD1 4.49Å; I1462-L1492 HydrophobicContact CG2-CD2 4.33Å |
| 1463 | I | 84.8 | Confident | 80.9 | Confident | 15 Ų | 15 | 53 Ų | 53 | 8% | 0.077 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.4 | -50.6 | 173.9 | -70.5 | 165 | 0 | 0 | 0 | 110.9 | Y1374 L1385 I1393 T1397 D1459 E1461 A1465 G1466 Q1467 | Y1374-I1463 HydrophobicContact CE1-CD1 4.02Å; Y1374-I1463 HydrophobicContact CE2-CD1 4.26Å; L1385-I1463 HydrophobicContact CD1-CG1 3.94Å; L1385-I1463 HydrophobicContact CD2-CD1 4.18Å; L1385-I1463 HydrophobicContact CD2-CG1 4Å; I1393-I1463 HydrophobicContact CG2-CG2 4.49Å; I1393-I1463 WeakPolarHBondContact CG2-O 3.47Å; T1397-I1463 HydrophobicContact CG2-CG2 3.83Å; D1459-I1463 VanDerWaalsContact O-CG1 3.31Å; D1459-I1463 WeakPolarHBondContact O-CG1 3.35Å; D1459-I1463 PolarHBondContact O-N 3.35Å; E1461-I1463 VanDerWaalsContact C-N 3.35Å; I1463-A1465 PolarHBondContact O-N 3.46Å; I1463-G1466 PolarHBondContact O-N 3.36Å; I1463-Q1467 WeakPolarHBondContact O-CB 3.27Å; I1463-Q1467 VanDerWaalsContact O-CG 3.31Å; I1463-Q1467 WeakPolarHBondContact O-CG 3Å; I1463-Q1467 PolarHBondContact O-N 3.05Å |
| 1464 | V | 82.4 | Confident | 79.5 | Confident | 40 Ų | 40 | 57.3 Ų | 57.3 | 24% | 0.242 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.2 | -36.8 | -178.8 | 169.1 | 0 | 0 | 0 | 0 | 112.3 | Q1460 E1461 I1462 R1468 | Q1460-V1464 VanDerWaalsContact O-CG2 3.29Å; Q1460-V1464 WeakPolarHBondContact O-CG2 3.34Å; Q1460-V1464 PolarHBondContact O-N 2.88Å; Q1460-V1464 VanDerWaalsContact O-N 3.12Å; E1461-V1464 PolarHBondContact O-N 3.47Å; I1462-V1464 PolarHBondContact O-N 3.17Å; V1464-R1468 WeakPolarHBondContact O-CB 3.28Å; V1464-R1468 WeakPolarHBondContact O-CD 3.16Å; V1464-R1468 WeakPolarHBondContact O-CG 3.47Å; V1464-R1468 PolarHBondContact O-N 3.46Å; V1464-R1468 VanDerWaalsContact O-N 3.09Å |
| 1465 | A | 84.6 | Confident | 77.7 | Confident | 21 Ų | 21 | 61.3 Ų | 61.3 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.3 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1461 I1462 I1463 R1468 T1469 L1492 | E1461-A1465 WeakPolarHBondContact O-CB 3.46Å; E1461-A1465 PolarHBondContact O-N 3.21Å; I1462-A1465 PolarHBondContact O-N 3.3Å; I1463-A1465 PolarHBondContact O-N 3.46Å; A1465-R1468 PolarHBondContact O-N 2.89Å; A1465-T1469 WeakPolarHBondContact O-CB 3.36Å; A1465-T1469 PolarHBondContact O-N 3.46Å; A1465-T1469 PolarHBondContact O-OG1 3.22Å; A1465-L1492 HydrophobicContact CB-CB 4.01Å; A1465-L1492 HydrophobicContact CB-CD1 4.03Å; A1465-L1492 HydrophobicContact CB-CG 4.5Å |
| 1466 | G | 86.2 | Confident | 75.8 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.4 | -50.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1462 I1463 R1468 T1469 A1470 | I1462-G1466 PolarHBondContact O-N 3.33Å; I1463-G1466 PolarHBondContact O-N 3.36Å; G1466-R1468 PolarHBondContact O-N 3.13Å; G1466-T1469 PolarHBondContact O-N 2.98Å; G1466-T1469 VanDerWaalsContact O-N 3.11Å; G1466-A1470 PolarHBondContact O-N 2.83Å |
| 1467 | Q | 83.5 | Confident | 73.4 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 24% | 0.243 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -52.2 | -50.4 | 173 | -77.6 | 178.4 | -23 | 0 | 0 | 112.5 | T1397 I1463 T1469 A1470 M1471 | T1397-Q1467 PolarHBondContact OG1-NE2 2.82Å; I1463-Q1467 WeakPolarHBondContact O-CB 3.27Å; I1463-Q1467 VanDerWaalsContact O-CG 3.31Å; I1463-Q1467 WeakPolarHBondContact O-CG 3Å; I1463-Q1467 PolarHBondContact O-N 3.05Å; Q1467-T1469 VanDerWaalsContact C-N 3.31Å; Q1467-T1469 PolarHBondContact O-N 2.81Å; Q1467-A1470 PolarHBondContact O-N 3.33Å; Q1467-M1471 WeakPolarHBondContact O-CB 3.02Å; Q1467-M1471 VanDerWaalsContact O-CG 3.24Å; Q1467-M1471 WeakPolarHBondContact O-CG 3.42Å; Q1467-M1471 PolarHBondContact O-N 2.83Å |
| 1468 | R | 81.6 | Confident | 71 | Confident | 125 Ų | 125 | 62.2 Ų | 62.2 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 178.1 | -73.1 | 168 | -175.2 | -173.7 | 3.7 | 112.1 | V1464 A1465 G1466 M1471 L1472 | V1464-R1468 WeakPolarHBondContact O-CB 3.28Å; V1464-R1468 WeakPolarHBondContact O-CD 3.16Å; V1464-R1468 WeakPolarHBondContact O-CG 3.47Å; V1464-R1468 PolarHBondContact O-N 3.46Å; V1464-R1468 VanDerWaalsContact O-N 3.09Å; A1465-R1468 PolarHBondContact O-N 2.89Å; G1466-R1468 PolarHBondContact O-N 3.13Å; R1468-M1471 PolarHBondContact O-N 2.9Å; R1468-L1472 PolarHBondContact O-N 2.87Å |
| 1469 | T | 84.1 | Confident | 68.6 | Low | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -68.8 | -38.6 | -178.5 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | P1390 A1465 G1466 Q1467 L1472 P1491 L1492 P1514 | P1390-T1469 HydrophobicContact CB-CG2 3.94Å; P1390-T1469 HydrophobicContact CG-CG2 3.66Å; A1465-T1469 WeakPolarHBondContact O-CB 3.36Å; A1465-T1469 PolarHBondContact O-N 3.46Å; A1465-T1469 PolarHBondContact O-OG1 3.22Å; G1466-T1469 PolarHBondContact O-N 2.98Å; G1466-T1469 VanDerWaalsContact O-N 3.11Å; Q1467-T1469 VanDerWaalsContact C-N 3.31Å; Q1467-T1469 PolarHBondContact O-N 2.81Å; T1469-L1472 PolarHBondContact O-N 2.99Å; T1469-P1491 HydrophobicContact CG2-CB 4Å; T1469-L1492 PolarHBondContact OG1-N 3.34Å; T1469-P1514 HydrophobicContact CG2-CB 3.78Å; T1469-P1514 HydrophobicContact CG2-CG 4.06Å |
| 1470 | A | 80.3 | Confident | 66.3 | Low | 3 Ų | 3 | 71.5 Ų | 71.5 | 3% | 0.025 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.1 | -39 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1390 H1394 G1466 Q1467 L1472 I1473 | P1390-A1470 HydrophobicContact CB-CB 4.37Å; H1394-A1470 HydrophobicContact CB-CB 3.57Å; G1466-A1470 PolarHBondContact O-N 2.83Å; Q1467-A1470 PolarHBondContact O-N 3.33Å; A1470-L1472 PolarHBondContact O-N 2.65Å; A1470-I1473 VanDerWaalsContact O-CB 3.3Å; A1470-I1473 WeakPolarHBondContact O-CB 3.48Å; A1470-I1473 WeakPolarHBondContact O-CG1 3.33Å; A1470-I1473 PolarHBondContact O-N 3.21Å |
| 1471 | M | 71.3 | Confident | 64.1 | Low | 99 Ų | 99 | 76.6 Ų | 76.6 | 49% | 0.488 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.1 | -21.9 | 176.6 | -72.7 | 173 | -173.7 | 0 | 0 | 113.7 | Q1467 R1468 I1473 N1475 | Q1467-M1471 WeakPolarHBondContact O-CB 3.02Å; Q1467-M1471 VanDerWaalsContact O-CG 3.24Å; Q1467-M1471 WeakPolarHBondContact O-CG 3.42Å; Q1467-M1471 PolarHBondContact O-N 2.83Å; R1468-M1471 PolarHBondContact O-N 2.9Å; M1471-I1473 VanDerWaalsContact C-N 3.27Å; M1471-I1473 PolarHBondContact O-N 2.82Å; M1471-N1475 PolarHBondContact O-ND2 3.24Å |
| 1472 | L | 69.9 | Low | 61.7 | Low | 117 Ų | 117 | 79.2 Ų | 79.2 | 61% | 0.613 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -26.2 | 171.2 | -68.6 | 170.9 | 0 | 0 | 0 | 112.6 | R1468 T1469 A1470 | R1468-L1472 PolarHBondContact O-N 2.87Å; T1469-L1472 PolarHBondContact O-N 2.99Å; A1470-L1472 PolarHBondContact O-N 2.65Å |
| 1473 | I | 64.8 | Low | 59.3 | Low | 55 Ų | 55 | 88.9 Ų | 88.9 | 28% | 0.282 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -39.8 | -179.1 | -47 | 169.3 | 0 | 0 | 0 | 110.9 | A1470 M1471 N1475 P1514 | A1470-I1473 VanDerWaalsContact O-CB 3.3Å; A1470-I1473 WeakPolarHBondContact O-CB 3.48Å; A1470-I1473 WeakPolarHBondContact O-CG1 3.33Å; A1470-I1473 PolarHBondContact O-N 3.21Å; M1471-I1473 VanDerWaalsContact C-N 3.27Å; M1471-I1473 PolarHBondContact O-N 2.82Å; I1473-N1475 PolarHBondContact O-N 3.5Å; I1473-P1514 VanDerWaalsContact CD1-O 3.26Å; I1473-P1514 WeakPolarHBondContact CD1-O 3.26Å |
| 1474 | N | 55.4 | Low | 56.9 | Low | 105 Ų | 105 | 95.7 Ų | 95.7 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 12.3 | -167.8 | -70.5 | -11.2 | 0 | 0 | 0 | 115.2 | T1476 | N1474-T1476 PolarHBondContact O-N 2.74Š|
| 1475 | N | 47 | Very low | 54.3 | Low | 110 Ų | 110 | 100.9 Ų | 100.9 | 59% | 0.588 | 54% | 0.542 | S | S | * | . | trans | -81.6 | 53 | -170.7 | -103.7 | -62.5 | 0 | 0 | 0 | 115 | M1471 I1473 | M1471-N1475 PolarHBondContact O-ND2 3.24Å; I1473-N1475 PolarHBondContact O-N 3.5Å | ||
| 1476 | T | 37.6 | Very low | 52.1 | Low | 122 Ų | 122 | 105.8 Ų | 105.8 | 75% | 0.748 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -107.7 | 111.8 | 160 | 46.9 | 0 | 0 | 0 | 0 | 110 | N1474 | N1474-T1476 PolarHBondContact O-N 2.74Š|
| 1477 | S | 30.8 | Very low | 49.5 | Very low | 121 Ų | 121 | 110.7 Ų | 110.7 | 85% | 0.846 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 74.3 | 150.3 | -177.1 | 82.7 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1478 | G | 31.6 | Very low | 47.5 | Very low | 74 Ų | 74 | 111.8 Ų | 111.8 | 76% | 0.763 | 61% | 0.608 | S | S | * | * | trans | 110.3 | -85.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1479 | F | 31.3 | Very low | 45.8 | Very low | 193 Ų | 193 | 111.7 Ų | 111.7 | 85% | 0.846 | 63% | 0.626 | S | S | * | * | trans | -87.1 | 135.3 | -158 | -96.5 | -95.1 | 0 | 0 | 0 | 115.6 | ||||
| 1480 | T | 33.6 | Very low | 44.6 | Very low | 109 Ų | 109 | 116.1 Ų | 116.1 | 67% | 0.669 | 66% | 0.657 | S | S | * | * | trans | -77 | 136.7 | -176.6 | 43.7 | 0 | 0 | 0 | 0 | 112.7 | S1482 | T1480-S1482 PolarHBondContact O-N 2.83Š| ||
| 1481 | K | 33.8 | Very low | 44.1 | Very low | 209 Ų | 209 | 118.8 Ų | 118.8 | 91% | 0.909 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | 8.8 | -176.7 | -73.9 | -176.6 | 171.8 | -179.7 | 0 | 115.9 | ||
| 1482 | S | 34.6 | Very low | 44.6 | Very low | 92 Ų | 92 | 114.4 Ų | 114.4 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -0.7 | -168.3 | 54.9 | 0 | 0 | 0 | 0 | 116.1 | T1480 | T1480-S1482 PolarHBondContact O-N 2.83Š|
| 1483 | K | 36.4 | Very low | 45 | Very low | 203 Ų | 203 | 113.1 Ų | 113.1 | 88% | 0.883 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -113.3 | 1.4 | -179.1 | -90.6 | -174.4 | 173.4 | -179.7 | 0 | 116.4 | ||
| 1484 | L | 34.3 | Very low | 45.6 | Very low | 159 Ų | 159 | 111.2 Ų | 111.2 | 83% | 0.832 | 63% | 0.633 | S | S | * | * | trans | -101.4 | 44.4 | -179.1 | -88.6 | 148.2 | 0 | 0 | 0 | 113 | ||||
| 1485 | N | 28.4 | Very low | 46.7 | Very low | 149 Ų | 149 | 111.2 Ų | 111.2 | 80% | 0.797 | 63% | 0.634 | S | S | * | * | trans | -109.1 | 71.4 | 176 | -83.9 | -1.7 | 0 | 0 | 0 | 111.9 | ||||
| 1486 | T | 37 | Very low | 48.2 | Very low | 123 Ų | 123 | 109.2 Ų | 109.2 | 76% | 0.755 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -140 | 138.3 | 156 | 45.9 | 0 | 0 | 0 | 0 | 108.8 | D1488 | T1486-D1488 PolarHBondContact O-N 2.75Š|
| 1487 | T | 33.1 | Very low | 50.1 | Low | 103 Ų | 103 | 105 Ų | 105 | 63% | 0.632 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -77.4 | 110.1 | -172.1 | 46.8 | 0 | 0 | 0 | 0 | 111.7 | ||
| 1488 | D | 41.9 | Very low | 52.3 | Low | 75 Ų | 75 | 103 Ų | 103 | 40% | 0.401 | 59% | 0.587 | S | S | . | * | trans | 161.8 | 82.5 | 154.1 | -88.9 | -17.8 | 0 | 0 | 0 | 108 | R1035 T1486 | R1035-D1488 WeakPolarHBondContact CD-OD2 3.37Å; R1035-D1488 IonicContact CZ-OD2 3.5Å; R1035-D1488 IonicContact NE-OD2 2.74Å; R1035-D1488 PolarHBondContact NE-OD2 3.35Å; R1035-D1488 PolarHBondContact NH2-O 3.47Å; T1486-D1488 PolarHBondContact O-N 2.75Å | ||
| 1489 | S | 44.1 | Very low | 54.6 | Low | 123 Ų | 123 | 104 Ų | 104 | 86% | 0.86 | 58% | 0.575 | S | S | * | * | trans | -110.4 | 47.1 | -165.4 | 62.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1490 | S | 59.7 | Low | 57.2 | Low | 94 Ų | 94 | 95.6 Ų | 95.6 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -82.2 | 140.3 | 168.7 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1491 | P | 69.4 | Low | 59.7 | Low | 59 Ų | 59 | 92.7 Ų | 92.7 | 38% | 0.383 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 162.2 | 164.1 | 31.2 | -34.4 | 0 | 0 | 0 | 110.4 | T1469 K1493 | T1469-P1491 HydrophobicContact CG2-CB 4Å; P1491-K1493 PolarHBondContact O-N 3.49Å |
| 1492 | L | 81.8 | Confident | 62.2 | Low | 8 Ų | 8 | 85.4 Ų | 85.4 | 4% | 0.042 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -62.4 | 116 | 171.4 | 178.7 | 62.2 | 0 | 0 | 0 | 108.8 | I1393 W1437 L1454 L1457 I1462 A1465 T1469 | I1393-L1492 HydrophobicContact CD1-CD2 3.94Å; W1437-L1492 VanDerWaalsContact CH2-O 3.29Å; W1437-L1492 WeakPolarHBondContact CH2-O 3.12Å; W1437-L1492 HydrophobicContact CZ2-CD2 4.36Å; W1437-L1492 HydrophobicContact CZ2-CG 4.28Å; L1454-L1492 HydrophobicContact CD1-CD1 3.95Å; L1454-L1492 HydrophobicContact CD2-CD1 4.38Å; L1457-L1492 HydrophobicContact CD1-CD1 4.22Å; I1462-L1492 HydrophobicContact CG2-CD1 4.49Å; I1462-L1492 HydrophobicContact CG2-CD2 4.33Å; A1465-L1492 HydrophobicContact CB-CB 4.01Å; A1465-L1492 HydrophobicContact CB-CD1 4.03Å; A1465-L1492 HydrophobicContact CB-CG 4.5Å; T1469-L1492 PolarHBondContact OG1-N 3.34Å |
| 1493 | K | 79.1 | Confident | 64.6 | Low | 90 Ų | 90 | 87.1 Ų | 87.1 | 39% | 0.391 | 50% | 0.504 | S | S | . | . | trans | -158.1 | 141.4 | 178.4 | -173 | -169.6 | 169 | -171.4 | 0 | 109 | P1491 N1509 W1512 | P1491-K1493 PolarHBondContact O-N 3.49Å; K1493-N1509 VanDerWaalsContact CE-OD1 3.29Å; K1493-N1509 WeakPolarHBondContact CE-OD1 3.38Å; K1493-N1509 PolarHBondContact NZ-OD1 3.13Å; K1493-W1512 HydrophobicContact CG-CB 4.37Å; K1493-W1512 HydrophobicContact CG-CD2 4.48Å; K1493-W1512 HydrophobicContact CG-CE3 3.95Å | ||
| 1494 | P | 77.8 | Confident | 67.2 | Low | 14 Ų | 14 | 77.4 Ų | 77.4 | 9% | 0.091 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -68 | 151.3 | 170.2 | -18.8 | 33.1 | 0 | 0 | 0 | 113 | I1441 L1454 W1512 | I1441-P1494 HydrophobicContact CD1-CG 3.38Å; L1454-P1494 HydrophobicContact CD2-CB 4.3Å; L1454-P1494 HydrophobicContact CD2-CG 4.23Å; P1494-W1512 HydrophobicContact CB-CH2 4.04Å; P1494-W1512 HydrophobicContact CB-CZ2 4.12Å; P1494-W1512 HydrophobicContact CB-CZ3 4.48Å; P1494-W1512 HydrophobicContact CG-CD2 4.22Å; P1494-W1512 HydrophobicContact CG-CH2 4Å; P1494-W1512 HydrophobicContact CG-CZ2 3.61Å; P1494-W1512 HydrophobicContact CG-CZ3 4.46Å |
| 1495 | D | 77.2 | Confident | 69.9 | Low | 106 Ų | 106 | 70.1 Ų | 70.1 | 57% | 0.567 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -69 | 136 | 161.2 | -65.1 | -48.6 | 0 | 0 | 0 | 109.4 | R1456 | R1456-D1495 IonicContact CZ-OD2 3.37Å; R1456-D1495 IonicContact NE-OD2 3.24Å; R1456-D1495 IonicContact NH1-OD2 2.83Å; R1456-D1495 PolarHBondContact NH1-OD2 3.44Å |
| 1496 | L | 79.4 | Confident | 72.9 | Confident | 68 Ų | 68 | 67.9 Ų | 67.9 | 36% | 0.356 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 135.6 | 173.4 | -74.5 | 169.8 | 0 | 0 | 0 | 110.1 | I1500 L1508 W1512 | L1496-I1500 HydrophobicContact CD2-CD1 3.92Å; L1496-L1508 HydrophobicContact CD2-CB 4.17Å; L1496-L1508 HydrophobicContact CD2-CD1 3.72Å; L1496-W1512 HydrophobicContact CD2-CH2 3.9Å; L1496-W1512 HydrophobicContact CD2-CZ3 3.77Å; L1496-W1512 HydrophobicContact CG-CZ3 4.31Å |
| 1497 | V | 77.6 | Confident | 75.5 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 21% | 0.206 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 140 | 173.6 | -167.3 | 0 | 0 | 0 | 0 | 109.1 | D1499 I1500 | V1497-D1499 HydrophobicContact CG1-CB 4.29Å; V1497-D1499 PolarHBondContact O-N 3.42Å; V1497-I1500 HydrophobicContact CB-CD1 3.97Å; V1497-I1500 HydrophobicContact CB-CG1 4.15Å; V1497-I1500 HydrophobicContact CG2-CD1 4.17Å; V1497-I1500 WeakPolarHBondContact O-CB 3.02Å; V1497-I1500 PolarHBondContact O-N 3.32Å; V1497-I1500 VanDerWaalsContact O-N 3.12Å |
| 1498 | A | 76.2 | Confident | 78.4 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y1054 I1500 | Y1054-A1498 WeakPolarHBondContact OH-CB 3.13Å; Y1054-A1498 PolarHBondContact OH-N 3.43Å; Y1054-A1498 VanDerWaalsContact OH-N 3.14Å; A1498-I1500 PolarHBondContact O-N 2.68Å |
| 1499 | D | 80.7 | Confident | 80.7 | Confident | 96 Ų | 96 | 56.6 Ų | 56.6 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -12.5 | 175.8 | -71.6 | 26.9 | 0 | 0 | 0 | 114.3 | K1320 F1447 V1497 P1501 | K1320-D1499 IonicContact NZ-OD2 3.19Å; K1320-D1499 PolarHBondContact NZ-OD2 3.15Å; F1447-D1499 HydrophobicContact CD1-CB 4.14Å; F1447-D1499 WeakPolarHBondContact CD1-O 3.43Å; F1447-D1499 WeakPolarHBondContact CE1-O 3.1Å; V1497-D1499 HydrophobicContact CG1-CB 4.29Å; V1497-D1499 PolarHBondContact O-N 3.42Å; D1499-P1501 WeakPolarHBondContact O-CD 3.43Å |
| 1500 | I | 85.1 | Confident | 83.1 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 8% | 0.082 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -79.3 | 123.7 | -176.6 | -65.1 | 170.4 | 0 | 0 | 0 | 109.4 | F1447 L1496 V1497 A1498 G1502 L1504 L1508 | F1447-I1500 HydrophobicContact CB-CD1 4.2Å; F1447-I1500 HydrophobicContact CB-CG1 3.61Å; F1447-I1500 HydrophobicContact CD1-CB 4.48Å; F1447-I1500 HydrophobicContact CD1-CG1 3.86Å; F1447-I1500 HydrophobicContact CD2-CG1 4.23Å; F1447-I1500 HydrophobicContact CG-CG1 3.62Å; L1496-I1500 HydrophobicContact CD2-CD1 3.92Å; V1497-I1500 HydrophobicContact CB-CD1 3.97Å; V1497-I1500 HydrophobicContact CB-CG1 4.15Å; V1497-I1500 HydrophobicContact CG2-CD1 4.17Å; V1497-I1500 WeakPolarHBondContact O-CB 3.02Å; V1497-I1500 PolarHBondContact O-N 3.32Å; V1497-I1500 VanDerWaalsContact O-N 3.12Å; A1498-I1500 PolarHBondContact O-N 2.68Å; I1500-G1502 PolarHBondContact O-N 2.87Å; I1500-L1504 HydrophobicContact CG2-CB 4.1Å; I1500-L1504 HydrophobicContact CG2-CD2 4.18Å; I1500-L1504 HydrophobicContact CG2-CG 4.05Å; I1500-L1508 HydrophobicContact CD1-CD1 4.04Å; I1500-L1508 HydrophobicContact CG2-CD1 4.09Å |
| 1501 | P | 87 | Confident | 84.7 | Confident | 49 Ų | 49 | 51.1 Ų | 51.1 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | trans | -53.2 | 135.3 | 173.3 | -27 | 35 | 0 | 0 | 0 | 111.6 | M1321 D1499 E1503 L1504 G1505 | M1321-P1501 HydrophobicContact SD-CG 4.4Å; D1499-P1501 WeakPolarHBondContact O-CD 3.43Å; P1501-E1503 PolarHBondContact O-N 2.68Å; P1501-L1504 HydrophobicContact CB-CB 4.34Å; P1501-L1504 CarbonylContact O-C 3.23Å; P1501-L1504 WeakPolarHBondContact O-CA 3.15Å; P1501-L1504 WeakPolarHBondContact O-CB 3.34Å; P1501-L1504 PolarHBondContact O-N 2.84Å; P1501-G1505 PolarHBondContact O-N 2.84Å | ||
| 1502 | G | 85 | Confident | 85.8 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 58% | 0.577 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -56.3 | -33.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1500 G1505 N1506 | I1500-G1502 PolarHBondContact O-N 2.87Å; G1502-G1505 WeakPolarHBondContact O-CA 3.45Å; G1502-G1505 PolarHBondContact O-N 3.48Å; G1502-N1506 PolarHBondContact O-N 2.74Å; G1502-N1506 PolarHBondContact O-ND2 3.4Å |
| 1503 | E | 86 | Confident | 86.2 | Confident | 127 Ų | 127 | 49.5 Ų | 49.5 | 59% | 0.593 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -74.7 | -35.5 | 178.1 | -57.2 | -174.3 | 134.5 | 0 | 0 | 112.5 | P1501 G1505 N1506 L1507 L1532 | P1501-E1503 PolarHBondContact O-N 2.68Å; E1503-G1505 VanDerWaalsContact C-N 3.32Å; E1503-N1506 WeakPolarHBondContact O-CB 3.32Å; E1503-N1506 PolarHBondContact O-N 3.3Å; E1503-L1507 PolarHBondContact O-N 3.02Å; E1503-L1507 VanDerWaalsContact O-N 3.11Å; E1503-L1532 HydrophobicContact CB-CD1 4.12Å; E1503-L1532 HydrophobicContact CB-CD2 3.53Å; E1503-L1532 HydrophobicContact CB-CG 4.49Å; E1503-L1532 HydrophobicContact CG-CD2 4.38Å; E1503-L1532 WeakPolarHBondContact OE2-CD2 3.22Å |
| 1504 | L | 90.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -38.5 | 167.1 | -179.5 | 59.8 | 0 | 0 | 0 | 110.6 | M1321 V1443 F1447 I1500 P1501 N1506 L1507 L1508 I1529 L1532 | M1321-L1504 HydrophobicContact SD-CD2 3.76Å; V1443-L1504 HydrophobicContact CG1-CD1 4.49Å; V1443-L1504 HydrophobicContact CG1-CD2 3.94Å; V1443-L1504 HydrophobicContact CG1-CG 4.39Å; F1447-L1504 HydrophobicContact CD2-CD2 4.4Å; F1447-L1504 HydrophobicContact CE2-CD2 3.6Å; F1447-L1504 HydrophobicContact CZ-CD2 3.89Å; I1500-L1504 HydrophobicContact CG2-CB 4.1Å; I1500-L1504 HydrophobicContact CG2-CD2 4.18Å; I1500-L1504 HydrophobicContact CG2-CG 4.05Å; P1501-L1504 HydrophobicContact CB-CB 4.34Å; P1501-L1504 CarbonylContact O-C 3.23Å; P1501-L1504 WeakPolarHBondContact O-CA 3.15Å; P1501-L1504 WeakPolarHBondContact O-CB 3.34Å; P1501-L1504 PolarHBondContact O-N 2.84Å; L1504-N1506 VanDerWaalsContact C-N 3.26Å; L1504-N1506 PolarHBondContact O-N 2.73Å; L1504-L1507 HydrophobicContact CD1-CD2 4.23Å; L1504-L1507 WeakPolarHBondContact O-CB 3.19Å; L1504-L1507 PolarHBondContact O-N 3.16Å; L1504-L1507 VanDerWaalsContact O-N 3.08Å; L1504-L1508 HydrophobicContact CG-CD1 4.41Å; L1504-L1508 WeakPolarHBondContact O-CG 3.3Å; L1504-L1508 PolarHBondContact O-N 3.04Å; L1504-I1529 HydrophobicContact CD1-CD1 4.14Å; L1504-I1529 HydrophobicContact CD1-CG1 4.1Å; L1504-L1532 HydrophobicContact CB-CD1 4.27Å |
| 1505 | G | 90.1 | Very high | 86.8 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.9 | -39.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1501 G1502 E1503 L1508 N1509 | P1501-G1505 PolarHBondContact O-N 2.84Å; G1502-G1505 WeakPolarHBondContact O-CA 3.45Å; G1502-G1505 PolarHBondContact O-N 3.48Å; E1503-G1505 VanDerWaalsContact C-N 3.32Å; G1505-L1508 PolarHBondContact O-N 2.67Å; G1505-N1509 WeakPolarHBondContact O-CB 3.31Å; G1505-N1509 PolarHBondContact O-N 2.88Å; G1505-N1509 PolarHBondContact O-ND2 2.94Å; G1505-N1509 VanDerWaalsContact O-ND2 3.07Å |
| 1506 | N | 91.1 | Very high | 87.3 | Confident | 102 Ų | 102 | 44.1 Ų | 44.1 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.2 | -35.5 | 174.1 | -70.4 | -30.8 | 0 | 0 | 0 | 113.1 | G1502 E1503 L1504 R1510 | G1502-N1506 PolarHBondContact O-N 2.74Å; G1502-N1506 PolarHBondContact O-ND2 3.4Å; E1503-N1506 WeakPolarHBondContact O-CB 3.32Å; E1503-N1506 PolarHBondContact O-N 3.3Å; L1504-N1506 VanDerWaalsContact C-N 3.26Å; L1504-N1506 PolarHBondContact O-N 2.73Å; N1506-R1510 PolarHBondContact O-N 2.83Å |
| 1507 | L | 93.4 | Very high | 87.6 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 171.7 | -177.8 | 60.7 | 0 | 0 | 0 | 111.5 | E1503 L1504 N1509 R1510 C1511 P1520 I1525 I1528 I1529 | E1503-L1507 PolarHBondContact O-N 3.02Å; E1503-L1507 VanDerWaalsContact O-N 3.11Å; L1504-L1507 HydrophobicContact CD1-CD2 4.23Å; L1504-L1507 WeakPolarHBondContact O-CB 3.19Å; L1504-L1507 PolarHBondContact O-N 3.16Å; L1504-L1507 VanDerWaalsContact O-N 3.08Å; L1507-N1509 VanDerWaalsContact C-N 3.28Å; L1507-N1509 PolarHBondContact O-N 3.47Å; L1507-R1510 WeakPolarHBondContact O-CA 3.39Å; L1507-R1510 WeakPolarHBondContact O-CB 3.41Å; L1507-R1510 PolarHBondContact O-N 2.01Å; L1507-C1511 PolarHBondContact O-N 2.86Å; L1507-C1511 PolarHBondContact O-SG 3.33Å; L1507-P1520 HydrophobicContact CD1-CG 4.15Å; L1507-I1525 HydrophobicContact CD1-CG1 4.23Å; L1507-I1525 HydrophobicContact CD2-CG2 4.22Å; L1507-I1528 HydrophobicContact CB-CG2 4.46Å; L1507-I1528 HydrophobicContact CD1-CD1 3.85Å; L1507-I1528 HydrophobicContact CD1-CG2 4.41Å; L1507-I1528 HydrophobicContact CD2-CB 4.18Å; L1507-I1528 HydrophobicContact CD2-CG2 3.9Å; L1507-I1528 HydrophobicContact CG-CG2 4.5Å; L1507-I1529 HydrophobicContact CD2-CD1 3.86Å; L1507-I1529 HydrophobicContact CD2-CG1 3.53Å |
| 1508 | L | 93.3 | Very high | 88.2 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.9 | -37.2 | 177.1 | -63.7 | 172.9 | 0 | 0 | 0 | 112.2 | V1443 L1496 I1500 L1504 G1505 R1510 C1511 W1512 | V1443-L1508 HydrophobicContact CB-CD2 3.79Å; V1443-L1508 HydrophobicContact CG1-CD1 3.93Å; V1443-L1508 HydrophobicContact CG1-CD2 3.93Å; V1443-L1508 HydrophobicContact CG1-CG 4.42Å; V1443-L1508 HydrophobicContact CG2-CD2 4.21Å; L1496-L1508 HydrophobicContact CD2-CB 4.17Å; L1496-L1508 HydrophobicContact CD2-CD1 3.72Å; I1500-L1508 HydrophobicContact CD1-CD1 4.04Å; I1500-L1508 HydrophobicContact CG2-CD1 4.09Å; L1504-L1508 HydrophobicContact CG-CD1 4.41Å; L1504-L1508 WeakPolarHBondContact O-CG 3.3Å; L1504-L1508 PolarHBondContact O-N 3.04Å; G1505-L1508 PolarHBondContact O-N 2.67Å; L1508-R1510 PolarHBondContact O-N 2.69Å; L1508-C1511 PolarHBondContact O-N 3.44Å; L1508-C1511 VanDerWaalsContact O-N 3.14Å; L1508-W1512 HydrophobicContact CB-CE3 4.25Å; L1508-W1512 HydrophobicContact CB-CH2 3.9Å; L1508-W1512 HydrophobicContact CB-CZ2 4.44Å; L1508-W1512 HydrophobicContact CB-CZ3 3.79Å; L1508-W1512 HydrophobicContact CD1-CH2 4.31Å; L1508-W1512 VanDerWaalsContact O-CE3 3.27Å; L1508-W1512 PolarHBondContact O-N 3.07Å |
| 1509 | N | 91 | Very high | 89.1 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 33% | 0.326 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59 | -31.2 | 171.9 | -70.6 | -32.4 | 0 | 0 | 0 | 113 | K1493 G1505 L1507 | K1493-N1509 VanDerWaalsContact CE-OD1 3.29Å; K1493-N1509 WeakPolarHBondContact CE-OD1 3.38Å; K1493-N1509 PolarHBondContact NZ-OD1 3.13Å; G1505-N1509 WeakPolarHBondContact O-CB 3.31Å; G1505-N1509 PolarHBondContact O-N 2.88Å; G1505-N1509 PolarHBondContact O-ND2 2.94Å; G1505-N1509 VanDerWaalsContact O-ND2 3.07Å; L1507-N1509 VanDerWaalsContact C-N 3.28Å; L1507-N1509 PolarHBondContact O-N 3.47Å |
| 1510 | R | 93.1 | Very high | 89.8 | Confident | 102 Ų | 102 | 44.9 Ų | 44.9 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -77.8 | -40.7 | 172.2 | -63.7 | 165 | 57.5 | -177.1 | -2.1 | 111.6 | N1506 L1507 L1508 W1512 S1513 P1520 E1524 I1528 | N1506-R1510 PolarHBondContact O-N 2.83Å; L1507-R1510 WeakPolarHBondContact O-CA 3.39Å; L1507-R1510 WeakPolarHBondContact O-CB 3.41Å; L1507-R1510 PolarHBondContact O-N 2.01Å; L1508-R1510 PolarHBondContact O-N 2.69Å; R1510-W1512 VanDerWaalsContact C-N 3.26Å; R1510-W1512 PolarHBondContact O-N 3.28Å; R1510-S1513 WeakPolarHBondContact O-CB 3Å; R1510-S1513 PolarHBondContact O-N 2.88Å; R1510-S1513 VanDerWaalsContact O-N 3.08Å; R1510-P1520 HydrophobicContact CB-CG 4.22Å; R1510-E1524 IonicContact CZ-OE2 2.88Å; R1510-E1524 IonicContact NH2-OE2 3.56Å; R1510-E1524 PolarHBondContact NH2-OE2 3.37Å; R1510-I1528 VanDerWaalsContact NH1-CD1 3.28Å |
| 1511 | C | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.8 | -35.2 | 177.7 | -61 | 0 | 0 | 0 | 0 | 112.8 | V1436 L1507 L1508 S1513 R1519 | V1436-C1511 HydrophobicContact CG1-CB 4.07Å; L1507-C1511 PolarHBondContact O-N 2.86Å; L1507-C1511 PolarHBondContact O-SG 3.33Å; L1508-C1511 PolarHBondContact O-N 3.44Å; L1508-C1511 VanDerWaalsContact O-N 3.14Å; C1511-S1513 PolarHBondContact O-N 3.3Å; C1511-R1519 VanDerWaalsContact O-CD 3.28Å; C1511-R1519 WeakPolarHBondContact O-CD 3.11Å; C1511-R1519 WeakPolarHBondContact O-CG 3.42Å |
| 1512 | W | 92.9 | Very high | 90.6 | Very high | 8 Ų | 8 | 45 Ų | 45 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 28 | 175 | -51.9 | -50.2 | 0 | 0 | 0 | 114.6 | W1437 G1440 I1441 K1493 P1494 L1496 L1508 R1510 | W1437-W1512 AromaticContact CD2-CD1 3.85Å; W1437-W1512 HydrophobicContact CE3-CB 4.14Å; W1437-W1512 HydrophobicContact CH2-CB 4.2Å; W1437-W1512 HydrophobicContact CZ3-CB 3.87Å; W1437-W1512 WeakPolarHBondContact CZ3-O 3.44Å; W1437-W1512 PolarHBondContact O-NE1 3.29Å; G1440-W1512 VanDerWaalsContact O-CZ2 3.31Å; G1440-W1512 WeakPolarHBondContact O-CZ2 2.97Å; I1441-W1512 HydrophobicContact CD1-CZ2 4.3Å; K1493-W1512 HydrophobicContact CG-CB 4.37Å; K1493-W1512 HydrophobicContact CG-CD2 4.48Å; K1493-W1512 HydrophobicContact CG-CE3 3.95Å; P1494-W1512 HydrophobicContact CB-CH2 4.04Å; P1494-W1512 HydrophobicContact CB-CZ2 4.12Å; P1494-W1512 HydrophobicContact CB-CZ3 4.48Å; P1494-W1512 HydrophobicContact CG-CD2 4.22Å; P1494-W1512 HydrophobicContact CG-CH2 4Å; P1494-W1512 HydrophobicContact CG-CZ2 3.61Å; P1494-W1512 HydrophobicContact CG-CZ3 4.46Å; L1496-W1512 HydrophobicContact CD2-CH2 3.9Å; L1496-W1512 HydrophobicContact CD2-CZ3 3.77Å; L1496-W1512 HydrophobicContact CG-CZ3 4.31Å; L1508-W1512 HydrophobicContact CB-CE3 4.25Å; L1508-W1512 HydrophobicContact CB-CH2 3.9Å; L1508-W1512 HydrophobicContact CB-CZ2 4.44Å; L1508-W1512 HydrophobicContact CB-CZ3 3.79Å; L1508-W1512 HydrophobicContact CD1-CH2 4.31Å; L1508-W1512 VanDerWaalsContact O-CE3 3.27Å; L1508-W1512 PolarHBondContact O-N 3.07Å; R1510-W1512 VanDerWaalsContact C-N 3.26Å; R1510-W1512 PolarHBondContact O-N 3.28Å |
| 1513 | S | 90.2 | Very high | 91 | Very high | 24 Ų | 24 | 44.1 Ų | 44.1 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | trans | -61.4 | 129.9 | 170.2 | -169.2 | 0 | 0 | 0 | 0 | 110.2 | R1510 C1511 T1515 H1518 R1519 | R1510-S1513 WeakPolarHBondContact O-CB 3Å; R1510-S1513 PolarHBondContact O-N 2.88Å; R1510-S1513 VanDerWaalsContact O-N 3.08Å; C1511-S1513 PolarHBondContact O-N 3.3Å; S1513-T1515 VanDerWaalsContact C-N 3.27Å; S1513-T1515 PolarHBondContact O-N 3.31Å; S1513-H1518 WeakPolarHBondContact OG-CB 3.2Å; S1513-R1519 PolarHBondContact O-NE 2.75Å; S1513-R1519 PolarHBondContact O-NH2 3.44Å | ||
| 1514 | P | 84.2 | Confident | 91.4 | Very high | 39 Ų | 39 | 42 Ų | 42 | 25% | 0.253 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -54.6 | -43.9 | 179 | -29.9 | 37 | 0 | 0 | 0 | 112.6 | T1469 I1473 P1516 R1519 | T1469-P1514 HydrophobicContact CG2-CB 3.78Å; T1469-P1514 HydrophobicContact CG2-CG 4.06Å; I1473-P1514 VanDerWaalsContact CD1-O 3.26Å; I1473-P1514 WeakPolarHBondContact CD1-O 3.26Å; P1514-P1516 WeakPolarHBondContact O-CD 3.45Å; P1514-R1519 PolarHBondContact O-NH2 3.25Å |
| 1515 | T | 84.7 | Confident | 91.6 | Very high | 38 Ų | 38 | 42 Ų | 42 | 23% | 0.233 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -79.4 | 117.1 | 178.2 | -52.1 | 0 | 0 | 0 | 0 | 110.4 | S1513 Q1517 H1518 | S1513-T1515 VanDerWaalsContact C-N 3.27Å; S1513-T1515 PolarHBondContact O-N 3.31Å; T1515-Q1517 HydrophobicContact CG2-CB 4.36Å; T1515-Q1517 PolarHBondContact O-N 2.74Å; T1515-Q1517 VanDerWaalsContact O-N 3.15Å; T1515-H1518 WeakPolarHBondContact CB-ND1 3.45Å; T1515-H1518 WeakPolarHBondContact CG2-ND1 3.26Å; T1515-H1518 PolarHBondContact O-N 3.38Å |
| 1516 | P | 87.4 | Confident | 91.7 | Very high | 20 Ų | 20 | 42.1 Ų | 42.1 | 13% | 0.13 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -56.9 | -33.2 | -176.5 | -27.4 | 35.5 | 0 | 0 | 0 | 114.5 | E1391 Q1433 P1514 H1518 R1519 | E1391-P1516 HydrophobicContact CG-CG 4.34Å; Q1433-P1516 HydrophobicContact CB-CB 3.97Å; Q1433-P1516 PolarHBondContact NE2-O 3.49Å; P1514-P1516 WeakPolarHBondContact O-CD 3.45Å; P1516-H1518 PolarHBondContact O-N 2.72Å; P1516-R1519 PolarHBondContact O-N 2.81Å |
| 1517 | Q | 85.6 | Confident | 91.8 | Very high | 151 Ų | 151 | 41.2 Ų | 41.2 | 71% | 0.706 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -68.4 | -13.3 | 178.9 | -60.7 | 80.7 | -0.3 | 0 | 0 | 113.9 | T1515 | T1515-Q1517 HydrophobicContact CG2-CB 4.36Å; T1515-Q1517 PolarHBondContact O-N 2.74Å; T1515-Q1517 VanDerWaalsContact O-N 3.15Å |
| 1518 | H | 90.7 | Very high | 91.7 | Very high | 131 Ų | 131 | 43.2 Ų | 43.2 | 61% | 0.606 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -102 | 3.6 | 177.5 | -66.7 | 134.2 | 0 | 0 | 0 | 113.2 | S1513 T1515 P1516 | S1513-H1518 WeakPolarHBondContact OG-CB 3.2Å; T1515-H1518 WeakPolarHBondContact CB-ND1 3.45Å; T1515-H1518 WeakPolarHBondContact CG2-ND1 3.26Å; T1515-H1518 PolarHBondContact O-N 3.38Å; P1516-H1518 PolarHBondContact O-N 2.72Å |
| 1519 | R | 94 | Very high | 91.6 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -84.7 | 141.9 | 172.9 | -56.7 | 176.8 | -166.9 | 150.8 | 10.9 | 109.2 | E1391 Q1433 V1436 C1511 S1513 P1514 P1516 | E1391-R1519 IonicContact OE1-CZ 3.8Å; E1391-R1519 IonicContact OE1-NH1 3.06Å; E1391-R1519 PolarHBondContact OE1-NH1 3.4Å; E1391-R1519 IonicContact OE1-NH2 3.27Å; E1391-R1519 PolarHBondContact OE1-NH2 3.37Å; E1391-R1519 IonicContact OE2-CZ 2.7Å; E1391-R1519 IonicContact OE2-NH1 2.66Å; E1391-R1519 IonicContact OE2-NH2 3.7Å; E1391-R1519 PolarHBondContact OE2-NH2 2.82Å; Q1433-R1519 PolarHBondContact NE2-O 2.77Å; Q1433-R1519 WeakPolarHBondContact O-CD 3.15Å; Q1433-R1519 PolarHBondContact O-NH1 3.5Å; V1436-R1519 HydrophobicContact CG1-CB 3.9Å; C1511-R1519 VanDerWaalsContact O-CD 3.28Å; C1511-R1519 WeakPolarHBondContact O-CD 3.11Å; C1511-R1519 WeakPolarHBondContact O-CG 3.42Å; S1513-R1519 PolarHBondContact O-NE 2.75Å; S1513-R1519 PolarHBondContact O-NH2 3.44Å; P1514-R1519 PolarHBondContact O-NH2 3.25Å; P1516-R1519 PolarHBondContact O-N 2.81Å |
| 1520 | P | 95.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 156.5 | -178.9 | 29.5 | -34.1 | 0 | 0 | 0 | 111.3 | V1436 L1507 R1510 E1524 I1525 | V1436-P1520 HydrophobicContact CG1-CG 4.36Å; V1436-P1520 WeakPolarHBondContact CG2-O 3.45Å; L1507-P1520 HydrophobicContact CD1-CG 4.15Å; R1510-P1520 HydrophobicContact CB-CG 4.22Å; P1520-E1524 VanDerWaalsContact CA-OE2 3.27Å; P1520-E1524 WeakPolarHBondContact CA-OE2 3.24Å; P1520-E1524 HydrophobicContact CB-CB 4.04Å; P1520-E1524 WeakPolarHBondContact CB-OE2 3.48Å; P1520-I1525 HydrophobicContact CB-CG1 4.11Å; P1520-I1525 HydrophobicContact CG-CD1 4.04Å; P1520-I1525 HydrophobicContact CG-CG1 3.78Å |
| 1521 | T | 95 | Very high | 91.2 | Very high | 63 Ų | 63 | 44.7 Ų | 44.7 | 39% | 0.387 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -74.2 | 161.8 | 169.6 | 68.7 | 0 | 0 | 0 | 0 | 110.5 | S1523 E1524 I1525 | T1521-S1523 PolarHBondContact O-N 3.3Å; T1521-S1523 PolarHBondContact OG1-N 2.99Å; T1521-E1524 PolarHBondContact O-N 3.28Å; T1521-E1524 PolarHBondContact OG1-N 3.47Å; T1521-E1524 VanDerWaalsContact OG1-N 3.11Å; T1521-I1525 VanDerWaalsContact O-CG1 3.31Å; T1521-I1525 WeakPolarHBondContact O-CG1 3.21Å; T1521-I1525 PolarHBondContact O-N 3.04Å |
| 1522 | F | 95.2 | Very high | 90.8 | Very high | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.022 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -28.7 | 173 | -79 | -65.5 | 0 | 0 | 0 | 113 | M1331 D1332 A1335 D1435 V1436 F1439 I1525 A1526 | M1331-F1522 HydrophobicContact CB-CD1 3.41Å; M1331-F1522 VanDerWaalsContact CB-CD1 3.41Å; M1331-F1522 HydrophobicContact CB-CD2 4.07Å; M1331-F1522 HydrophobicContact CB-CE1 3.45Å; M1331-F1522 VanDerWaalsContact CB-CE1 3.45Å; M1331-F1522 HydrophobicContact CB-CE2 4.09Å; M1331-F1522 HydrophobicContact CB-CG 3.74Å; M1331-F1522 HydrophobicContact CB-CZ 3.79Å; M1331-F1522 HydrophobicContact CE-CD2 4.43Å; M1331-F1522 HydrophobicContact CE-CE1 4.46Å; M1331-F1522 HydrophobicContact CE-CE2 3.67Å; M1331-F1522 HydrophobicContact CE-CZ 3.69Å; M1331-F1522 HydrophobicContact CG-CD1 4.35Å; M1331-F1522 HydrophobicContact CG-CE1 3.9Å; M1331-F1522 HydrophobicContact CG-CZ 4.07Å; D1332-F1522 HydrophobicContact CB-CB 3.88Å; A1335-F1522 HydrophobicContact CB-CD2 4.05Å; D1435-F1522 HydrophobicContact CB-CE2 4.02Å; D1435-F1522 HydrophobicContact CB-CZ 4.03Å; V1436-F1522 HydrophobicContact CB-CZ 4.37Å; V1436-F1522 HydrophobicContact CG2-CD1 4.4Å; V1436-F1522 HydrophobicContact CG2-CD2 3.94Å; V1436-F1522 HydrophobicContact CG2-CE1 4.1Å; V1436-F1522 HydrophobicContact CG2-CE2 3.6Å; V1436-F1522 HydrophobicContact CG2-CG 4.33Å; V1436-F1522 HydrophobicContact CG2-CZ 3.69Å; F1439-F1522 HydrophobicContact CB-CE1 3.74Å; F1439-F1522 HydrophobicContact CB-CZ 4.12Å; F1439-F1522 AromaticContact CD2-CE1 3.88Å; F1439-F1522 HydrophobicContact CD2-CE1 3.88Å; F1439-F1522 AromaticContact CG-CE1 3.8Å; F1439-F1522 HydrophobicContact CG-CE1 3.8Å; F1522-I1525 HydrophobicContact CD1-CD1 3.88Å; F1522-I1525 HydrophobicContact CE1-CD1 4.16Å; F1522-I1525 WeakPolarHBondContact O-CB 3.08Å; F1522-I1525 PolarHBondContact O-N 3.2Å; F1522-A1526 VanDerWaalsContact O-CB 3.29Å; F1522-A1526 WeakPolarHBondContact O-CB 3.23Å; F1522-A1526 PolarHBondContact O-N 2.92Å |
| 1523 | S | 92.5 | Very high | 90.1 | Very high | 37 Ų | 37 | 47.4 Ų | 47.4 | 26% | 0.259 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.2 | -41.1 | 175 | -20.2 | 0 | 0 | 0 | 0 | 111.7 | D1332 T1521 A1526 I1527 | D1332-S1523 VanDerWaalsContact OD1-CA 3.27Å; D1332-S1523 WeakPolarHBondContact OD1-CA 3.46Å; D1332-S1523 VanDerWaalsContact OD1-CB 3.29Å; D1332-S1523 WeakPolarHBondContact OD1-CB 3.45Å; D1332-S1523 PolarHBondContact OD1-N 2.74Å; D1332-S1523 PolarHBondContact OD1-OG 3.02Å; T1521-S1523 PolarHBondContact O-N 3.3Å; T1521-S1523 PolarHBondContact OG1-N 2.99Å; S1523-A1526 PolarHBondContact O-N 2.83Å; S1523-I1527 WeakPolarHBondContact O-CB 3.34Å; S1523-I1527 WeakPolarHBondContact O-CD1 3.49Å; S1523-I1527 VanDerWaalsContact O-CG1 3.28Å; S1523-I1527 WeakPolarHBondContact O-CG1 3.34Å; S1523-I1527 PolarHBondContact O-N 3.44Å |
| 1524 | E | 94.5 | Very high | 89.4 | Confident | 83 Ų | 83 | 50.6 Ų | 50.6 | 39% | 0.388 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 170.1 | -73.8 | -175 | 174.9 | 0 | 0 | 111.5 | R1510 P1520 T1521 I1528 | R1510-E1524 IonicContact CZ-OE2 2.88Å; R1510-E1524 IonicContact NH2-OE2 3.56Å; R1510-E1524 PolarHBondContact NH2-OE2 3.37Å; P1520-E1524 VanDerWaalsContact CA-OE2 3.27Å; P1520-E1524 WeakPolarHBondContact CA-OE2 3.24Å; P1520-E1524 HydrophobicContact CB-CB 4.04Å; P1520-E1524 WeakPolarHBondContact CB-OE2 3.48Å; T1521-E1524 PolarHBondContact O-N 3.28Å; T1521-E1524 PolarHBondContact OG1-N 3.47Å; T1521-E1524 VanDerWaalsContact OG1-N 3.11Å; E1524-I1528 WeakPolarHBondContact O-CB 3.24Å; E1524-I1528 WeakPolarHBondContact O-CD1 3.45Å; E1524-I1528 WeakPolarHBondContact O-CG1 3.46Å; E1524-I1528 PolarHBondContact O-N 3.06Å |
| 1525 | I | 95.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 177.1 | -67.9 | 167.7 | 0 | 0 | 0 | 110.5 | A1328 V1436 F1439 L1507 P1520 T1521 F1522 I1528 I1529 | A1328-I1525 HydrophobicContact CB-CG2 3.82Å; V1436-I1525 HydrophobicContact CG1-CD1 3.97Å; V1436-I1525 HydrophobicContact CG2-CD1 4.16Å; F1439-I1525 HydrophobicContact CD1-CD1 4.22Å; F1439-I1525 HydrophobicContact CD1-CG2 4.17Å; F1439-I1525 HydrophobicContact CE1-CD1 4.46Å; F1439-I1525 HydrophobicContact CE1-CG2 3.41Å; F1439-I1525 VanDerWaalsContact CE1-CG2 3.41Å; F1439-I1525 HydrophobicContact CE2-CG2 4.44Å; F1439-I1525 HydrophobicContact CZ-CG2 3.58Å; L1507-I1525 HydrophobicContact CD1-CG1 4.23Å; L1507-I1525 HydrophobicContact CD2-CG2 4.22Å; P1520-I1525 HydrophobicContact CB-CG1 4.11Å; P1520-I1525 HydrophobicContact CG-CD1 4.04Å; P1520-I1525 HydrophobicContact CG-CG1 3.78Å; T1521-I1525 VanDerWaalsContact O-CG1 3.31Å; T1521-I1525 WeakPolarHBondContact O-CG1 3.21Å; T1521-I1525 PolarHBondContact O-N 3.04Å; F1522-I1525 HydrophobicContact CD1-CD1 3.88Å; F1522-I1525 HydrophobicContact CE1-CD1 4.16Å; F1522-I1525 WeakPolarHBondContact O-CB 3.08Å; F1522-I1525 PolarHBondContact O-N 3.2Å; I1525-I1528 PolarHBondContact O-N 2.84Å; I1525-I1529 HydrophobicContact CG2-CD1 3.65Å; I1525-I1529 HydrophobicContact CG2-CG1 4.34Å; I1525-I1529 WeakPolarHBondContact O-CB 3.43Å; I1525-I1529 WeakPolarHBondContact O-CG1 3.28Å; I1525-I1529 PolarHBondContact O-N 3.4Å |
| 1526 | A | 92.4 | Very high | 88.6 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.1 | -40.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1328 L1329 F1522 S1523 R1530 | A1328-A1526 HydrophobicContact CB-CB 4.02Å; L1329-A1526 HydrophobicContact CD2-CB 4.14Å; F1522-A1526 VanDerWaalsContact O-CB 3.29Å; F1522-A1526 WeakPolarHBondContact O-CB 3.23Å; F1522-A1526 PolarHBondContact O-N 2.92Å; S1523-A1526 PolarHBondContact O-N 2.83Å; A1526-R1530 WeakPolarHBondContact O-CB 3.36Å; A1526-R1530 PolarHBondContact O-N 3.43Å |
| 1527 | I | 91.8 | Very high | 88.6 | Confident | 82 Ų | 82 | 57.8 Ų | 57.8 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.3 | -54 | 171.9 | -72.6 | 165.8 | 0 | 0 | 0 | 110.1 | S1523 I1529 R1530 D1531 | S1523-I1527 WeakPolarHBondContact O-CB 3.34Å; S1523-I1527 WeakPolarHBondContact O-CD1 3.49Å; S1523-I1527 VanDerWaalsContact O-CG1 3.28Å; S1523-I1527 WeakPolarHBondContact O-CG1 3.34Å; S1523-I1527 PolarHBondContact O-N 3.44Å; I1527-I1529 PolarHBondContact O-N 2.78Å; I1527-R1530 PolarHBondContact O-N 3.38Å; I1527-D1531 WeakPolarHBondContact O-CB 3.48Å; I1527-D1531 PolarHBondContact O-N 2.97Å |
| 1528 | I | 92.2 | Very high | 88.8 | Confident | 45 Ų | 45 | 52.6 Ų | 52.6 | 23% | 0.231 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.4 | -44.8 | -175.8 | -66.1 | 164.3 | 0 | 0 | 0 | 110.9 | L1507 R1510 E1524 I1525 D1531 L1532 | L1507-I1528 HydrophobicContact CB-CG2 4.46Å; L1507-I1528 HydrophobicContact CD1-CD1 3.85Å; L1507-I1528 HydrophobicContact CD1-CG2 4.41Å; L1507-I1528 HydrophobicContact CD2-CB 4.18Å; L1507-I1528 HydrophobicContact CD2-CG2 3.9Å; L1507-I1528 HydrophobicContact CG-CG2 4.5Å; R1510-I1528 VanDerWaalsContact NH1-CD1 3.28Å; E1524-I1528 WeakPolarHBondContact O-CB 3.24Å; E1524-I1528 WeakPolarHBondContact O-CD1 3.45Å; E1524-I1528 WeakPolarHBondContact O-CG1 3.46Å; E1524-I1528 PolarHBondContact O-N 3.06Å; I1525-I1528 PolarHBondContact O-N 2.84Å; I1528-D1531 PolarHBondContact O-N 2.95Å; I1528-L1532 HydrophobicContact CG2-CD1 3.79Å; I1528-L1532 HydrophobicContact CG2-CG 4.18Å; I1528-L1532 WeakPolarHBondContact O-CB 3.34Å; I1528-L1532 WeakPolarHBondContact O-CG 3.18Å; I1528-L1532 PolarHBondContact O-N 3.05Å |
| 1529 | I | 91.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.8 | -32.3 | 179.5 | -63.4 | 177.6 | 0 | 0 | 0 | 111.9 | M1321 C1324 K1325 A1328 F1439 L1504 L1507 I1525 I1527 D1531 A1533 | M1321-I1529 HydrophobicContact CE-CG2 4.4Å; C1324-I1529 HydrophobicContact CB-CD1 4.49Å; C1324-I1529 HydrophobicContact CB-CG2 4.22Å; K1325-I1529 HydrophobicContact CB-CG2 3.9Å; A1328-I1529 HydrophobicContact CB-CD1 4.33Å; F1439-I1529 HydrophobicContact CE1-CD1 3.96Å; F1439-I1529 HydrophobicContact CZ-CD1 3.7Å; L1504-I1529 HydrophobicContact CD1-CD1 4.14Å; L1504-I1529 HydrophobicContact CD1-CG1 4.1Å; L1507-I1529 HydrophobicContact CD2-CD1 3.86Å; L1507-I1529 HydrophobicContact CD2-CG1 3.53Å; I1525-I1529 HydrophobicContact CG2-CD1 3.65Å; I1525-I1529 HydrophobicContact CG2-CG1 4.34Å; I1525-I1529 WeakPolarHBondContact O-CB 3.43Å; I1525-I1529 WeakPolarHBondContact O-CG1 3.28Å; I1525-I1529 PolarHBondContact O-N 3.4Å; I1527-I1529 PolarHBondContact O-N 2.78Å; I1529-D1531 VanDerWaalsContact C-N 3.33Å; I1529-A1533 WeakPolarHBondContact O-CB 3.5Å; I1529-A1533 PolarHBondContact O-N 2.59Å |
| 1530 | R | 88.2 | Confident | 88.3 | Confident | 118 Ų | 118 | 50.5 Ų | 50.5 | 45% | 0.445 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 171.2 | 176.7 | -161.9 | 69.4 | -156.8 | -5 | 110.8 | A1526 I1527 A1533 A1534 | A1526-R1530 WeakPolarHBondContact O-CB 3.36Å; A1526-R1530 PolarHBondContact O-N 3.43Å; I1527-R1530 PolarHBondContact O-N 3.38Å; R1530-A1533 CarbonylContact O-C 3.44Å; R1530-A1533 PolarHBondContact O-N 3.42Å; R1530-A1534 PolarHBondContact O-N 3.14Å |
| 1531 | D | 87.3 | Confident | 87.9 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.9 | -39.8 | -176 | -60.4 | -10.6 | 0 | 0 | 0 | 110.5 | I1527 I1528 I1529 A1533 A1534 S1535 | I1527-D1531 WeakPolarHBondContact O-CB 3.48Å; I1527-D1531 PolarHBondContact O-N 2.97Å; I1528-D1531 PolarHBondContact O-N 2.95Å; I1529-D1531 VanDerWaalsContact C-N 3.33Å; D1531-A1533 PolarHBondContact O-N 3.49Å; D1531-A1534 PolarHBondContact O-N 3.4Å; D1531-A1534 VanDerWaalsContact O-N 3.11Å; D1531-S1535 PolarHBondContact O-N 3.41Å |
| 1532 | L | 85.3 | Confident | 87.4 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.7 | -12.7 | 170.3 | -67.5 | 179.9 | 0 | 0 | 0 | 114.7 | M1321 E1503 L1504 I1528 S1535 | M1321-L1532 HydrophobicContact CE-CB 3.75Å; M1321-L1532 WeakPolarHBondContact CE-O 3.25Å; E1503-L1532 HydrophobicContact CB-CD1 4.12Å; E1503-L1532 HydrophobicContact CB-CD2 3.53Å; E1503-L1532 HydrophobicContact CB-CG 4.49Å; E1503-L1532 HydrophobicContact CG-CD2 4.38Å; E1503-L1532 WeakPolarHBondContact OE2-CD2 3.22Å; L1504-L1532 HydrophobicContact CB-CD1 4.27Å; I1528-L1532 HydrophobicContact CG2-CD1 3.79Å; I1528-L1532 HydrophobicContact CG2-CG 4.18Å; I1528-L1532 WeakPolarHBondContact O-CB 3.34Å; I1528-L1532 WeakPolarHBondContact O-CG 3.18Å; I1528-L1532 PolarHBondContact O-N 3.05Å; L1532-S1535 WeakPolarHBondContact CA-OG 3.43Å; L1532-S1535 PolarHBondContact O-OG 2.62Å; L1532-S1535 VanDerWaalsContact O-OG 3.11Å |
| 1533 | A | 77.4 | Confident | 86.8 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 32% | 0.322 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 4.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1321 K1325 I1529 R1530 D1531 | M1321-A1533 HydrophobicContact CB-CB 4.39Å; M1321-A1533 HydrophobicContact CE-CB 4.37Å; K1325-A1533 HydrophobicContact CD-CB 4.31Å; I1529-A1533 WeakPolarHBondContact O-CB 3.5Å; I1529-A1533 PolarHBondContact O-N 2.59Å; R1530-A1533 CarbonylContact O-C 3.44Å; R1530-A1533 PolarHBondContact O-N 3.42Å; D1531-A1533 PolarHBondContact O-N 3.49Å |
| 1534 | A | 75.2 | Confident | 86.3 | Confident | 90 Ų | 90 | 58.4 Ų | 58.4 | 74% | 0.744 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | -15 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1530 D1531 | R1530-A1534 PolarHBondContact O-N 3.14Å; D1531-A1534 PolarHBondContact O-N 3.4Å; D1531-A1534 VanDerWaalsContact O-N 3.11Å |
| 1535 | S | 63.8 | Low | 85.5 | Confident | 133 Ų | 133 | 56.2 Ų | 56.2 | 93% | 0.93 | 34% | 0.337 | S | S | * | . | trans | -86.2 | 0 | 167.3 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | D1531 L1532 | D1531-S1535 PolarHBondContact O-N 3.41Å; L1532-S1535 WeakPolarHBondContact CA-OG 3.43Å; L1532-S1535 PolarHBondContact O-OG 2.62Å; L1532-S1535 VanDerWaalsContact O-OG 3.11Å |
Retrieved 1,535 of 1,535 residues in 312.4 ms
(Link to these results)