| 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 | 34.6 | Very low | 28.7 | Very low | 251 Ų | 251 | 160.5 Ų | 160.5 | 100% | 1.236 | 86% | 0.86 | S | S | * | * | 0 | 141.8 | 0 | -86.2 | 171 | 171.6 | 0 | 0 | 108.5 | |||||
| 2 | R | 34 | Very low | 28.4 | Very low | 258 Ų | 258 | 152.8 Ų | 152.8 | 97% | 0.974 | 85% | 0.846 | S | S | * | * | trans | -66.3 | 151 | -172.2 | -133.6 | 177.7 | -127.4 | -153.9 | -2 | 111.6 | ||||
| 3 | G | 27.8 | Very low | 28.4 | Very low | 83 Ų | 83 | 154.9 Ų | 154.9 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | trans | -175.7 | 72.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 4 | S | 30 | Very low | 28.6 | Very low | 105 Ų | 105 | 152.9 Ų | 152.9 | 73% | 0.734 | 85% | 0.846 | S | S | * | * | trans | -94.1 | 130.5 | 168.4 | 161.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 5 | V | 29.6 | Very low | 28.5 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 81% | 0.806 | 83% | 0.834 | S | S | * | * | trans | -152.6 | 106.3 | 149.6 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | E | 26.8 | Very low | 28.6 | Very low | 181 Ų | 181 | 145.9 Ų | 145.9 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | 38.5 | 144.9 | 133 | -82.7 | 169.4 | 153.6 | 0 | 0 | 125.9 | ||||
| 7 | C | 29.4 | Very low | 28.9 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | -50.4 | 147.5 | 176.2 | -59.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 8 | T | 24.2 | Very low | 29.3 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | trans | -133.1 | 121.6 | 145.5 | 32.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 9 | W | 26.8 | Very low | 29.4 | Very low | 216 Ų | 216 | 137.7 Ų | 137.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -69.6 | 127.7 | 170.4 | -83.1 | 38.7 | 0 | 0 | 0 | 109.7 | W11 | W9-W11 AromaticContact CE3-CD1 3.88Å; W9-W11 AromaticContact CE3-NE1 3.37Å; W9-W11 AromaticContact CZ3-NE1 3.43Å | ||
| 10 | G | 23.7 | Very low | 29.9 | Very low | 73 Ų | 73 | 134.6 Ų | 134.6 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -121.8 | 100.4 | 167 | 0 | 0 | 0 | 0 | 0 | 109.5 | G12 | G10-G12 PolarHBondContact O-N 3.37Å; G10-G12 VanDerWaalsContact O-N 3.1Å | ||
| 11 | W | 28.4 | Very low | 30.1 | Very low | 210 Ų | 210 | 133.1 Ų | 133.1 | 80% | 0.795 | 76% | 0.756 | S | S | * | * | trans | -67.6 | 100.5 | 167.5 | -83 | 31.9 | 0 | 0 | 0 | 108.9 | W9 | W9-W11 AromaticContact CE3-CD1 3.88Å; W9-W11 AromaticContact CE3-NE1 3.37Å; W9-W11 AromaticContact CZ3-NE1 3.43Å | ||
| 12 | G | 25.1 | Very low | 29.9 | Very low | 67 Ų | 67 | 129.2 Ų | 129.2 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | trans | -90.6 | 111.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | G10 C14 | G10-G12 PolarHBondContact O-N 3.37Å; G10-G12 VanDerWaalsContact O-N 3.1Å; G12-C14 VanDerWaalsContact C-N 3.32Å; G12-C14 PolarHBondContact O-N 3.49Å | ||
| 13 | H | 28.6 | Very low | 30.1 | Very low | 181 Ų | 181 | 119.7 Ų | 119.7 | 84% | 0.838 | 70% | 0.698 | S | S | * | * | trans | -61.4 | 91.6 | 167.9 | -74.1 | -75.6 | 0 | 0 | 0 | 109.9 | A15 | H13-A15 PolarHBondContact O-N 3.44Å; H13-A15 VanDerWaalsContact O-N 3.15Å | ||
| 14 | C | 31 | Very low | 30.5 | Very low | 126 Ų | 126 | 117.9 Ų | 117.9 | 85% | 0.851 | 67% | 0.669 | S | S | * | * | trans | -74.6 | 99.4 | 163.5 | -76.2 | 0 | 0 | 0 | 0 | 107.8 | G12 | G12-C14 VanDerWaalsContact C-N 3.32Å; G12-C14 PolarHBondContact O-N 3.49Å | ||
| 15 | A | 28.2 | Very low | 30.9 | Very low | 81 Ų | 81 | 118.3 Ų | 118.3 | 67% | 0.669 | 66% | 0.662 | S | S | * | * | trans | -47.4 | 139.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | H13 S17 | H13-A15 PolarHBondContact O-N 3.44Å; H13-A15 VanDerWaalsContact O-N 3.15Å; A15-S17 PolarHBondContact O-N 3.49Å | ||
| 16 | P | 29.9 | Very low | 31.2 | Very low | 114 Ų | 114 | 116.7 Ų | 116.7 | 74% | 0.74 | 65% | 0.648 | S | S | * | * | trans | -59.8 | 114.5 | 177.1 | 24.9 | -30.8 | 0 | 0 | 0 | 107.6 | ||||
| 17 | S | 33.2 | Very low | 31.8 | Very low | 51 Ų | 51 | 111.6 Ų | 111.6 | 36% | 0.357 | 62% | 0.624 | S | S | . | * | trans | -57.3 | 144.1 | -176.8 | 61.8 | 0 | 0 | 0 | 0 | 110.1 | A15 L19 L20 | A15-S17 PolarHBondContact O-N 3.49Å; S17-L19 PolarHBondContact O-N 3.26Å; S17-L20 WeakPolarHBondContact O-CB 3.26Å; S17-L20 PolarHBondContact O-N 3.27Å | ||
| 18 | P | 35.5 | Very low | 32.1 | Very low | 101 Ų | 101 | 108.6 Ų | 108.6 | 66% | 0.656 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -56.6 | -16.6 | 173.5 | 20.1 | -30.4 | 0 | 0 | 0 | 113.1 | L20 L21 W22 | P18-L20 VanDerWaalsContact C-N 3.29Å; P18-L20 PolarHBondContact O-N 3.44Å; P18-L21 PolarHBondContact O-N 3.45Å; P18-W22 WeakPolarHBondContact O-CB 3.31Å; P18-W22 VanDerWaalsContact O-CD1 3.28Å; P18-W22 PolarHBondContact O-N 3.29Å |
| 19 | L | 32.1 | Very low | 32.5 | Very low | 130 Ų | 130 | 102.5 Ų | 102.5 | 68% | 0.681 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.2 | -31 | 169.7 | -79.9 | 154.8 | 0 | 0 | 0 | 113.7 | S17 T23 | S17-L19 PolarHBondContact O-N 3.26Å; L19-T23 PolarHBondContact O-N 3.4Å; L19-T23 PolarHBondContact O-OG1 3.11Å |
| 20 | L | 38.2 | Very low | 32.9 | Very low | 74 Ų | 74 | 92.9 Ų | 92.9 | 39% | 0.387 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -77.5 | -34.8 | -178.8 | -121 | 151 | 0 | 0 | 0 | 111.9 | S17 P18 T23 L24 L83 | S17-L20 WeakPolarHBondContact O-CB 3.26Å; S17-L20 PolarHBondContact O-N 3.27Å; P18-L20 VanDerWaalsContact C-N 3.29Å; P18-L20 PolarHBondContact O-N 3.44Å; L20-T23 VanDerWaalsContact CA-OG1 3.26Å; L20-T23 WeakPolarHBondContact CA-OG1 3.35Å; L20-T23 PolarHBondContact O-OG1 3.42Å; L20-L24 WeakPolarHBondContact O-CB 3.43Å; L20-L24 PolarHBondContact O-N 3.35Å; L20-L83 HydrophobicContact CD2-CD2 4.24Å |
| 21 | L | 35.6 | Very low | 33.6 | Very low | 105 Ų | 105 | 91.7 Ų | 91.7 | 55% | 0.55 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.8 | -37.2 | 171.1 | -158.3 | 84 | 0 | 0 | 0 | 110.8 | P18 L24 L25 | P18-L21 PolarHBondContact O-N 3.45Å; L21-L24 PolarHBondContact O-N 3.37Å; L21-L25 HydrophobicContact CG-CD1 4.41Å; L21-L25 WeakPolarHBondContact O-CB 3.35Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.5Å |
| 22 | W | 28.8 | Very low | 33.9 | Very low | 169 Ų | 169 | 82.3 Ų | 82.3 | 64% | 0.64 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.1 | -42.2 | 172.9 | -95.3 | 86.1 | 0 | 0 | 0 | 112.4 | P18 L25 L26 | P18-W22 WeakPolarHBondContact O-CB 3.31Å; P18-W22 VanDerWaalsContact O-CD1 3.28Å; P18-W22 PolarHBondContact O-N 3.29Å; W22-L25 PolarHBondContact O-N 2.98Å; W22-L26 HydrophobicContact CE3-CD1 4.01Å; W22-L26 HydrophobicContact CE3-CG 4.46Å; W22-L26 WeakPolarHBondContact O-CB 3.49Å; W22-L26 WeakPolarHBondContact O-CD1 3.37Å; W22-L26 VanDerWaalsContact O-CG 3.29Å; W22-L26 WeakPolarHBondContact O-CG 3.33Å; W22-L26 PolarHBondContact O-N 2.97Å |
| 23 | T | 38.4 | Very low | 34.3 | Very low | 57 Ų | 57 | 83 Ų | 83 | 35% | 0.35 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 171.7 | 35.9 | 0 | 0 | 0 | 0 | 110.4 | L19 L20 L25 L26 F27 | L19-T23 PolarHBondContact O-N 3.4Å; L19-T23 PolarHBondContact O-OG1 3.11Å; L20-T23 VanDerWaalsContact CA-OG1 3.26Å; L20-T23 WeakPolarHBondContact CA-OG1 3.35Å; L20-T23 PolarHBondContact O-OG1 3.42Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 2.95Å; T23-L26 CarbonylContact O-C 3.59Å; T23-L26 PolarHBondContact O-N 3.3Å; T23-F27 HydrophobicContact CG2-CD2 4.43Å; T23-F27 HydrophobicContact CG2-CE2 4.1Å; T23-F27 WeakPolarHBondContact O-CA 3.33Å; T23-F27 WeakPolarHBondContact O-CB 3.44Å; T23-F27 WeakPolarHBondContact O-CD2 3.47Å; T23-F27 WeakPolarHBondContact O-CG 3.36Å; T23-F27 PolarHBondContact O-N 3.5Å |
| 24 | L | 37.3 | Very low | 34.8 | Very low | 46 Ų | 46 | 75 Ų | 75 | 24% | 0.241 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64 | -35.7 | 176.4 | -135.3 | 104.2 | 0 | 0 | 0 | 113.2 | L20 L21 F27 A28 L78 L83 | L20-L24 WeakPolarHBondContact O-CB 3.43Å; L20-L24 PolarHBondContact O-N 3.35Å; L21-L24 PolarHBondContact O-N 3.37Å; L24-F27 CarbonylContact O-C 3.47Å; L24-F27 PolarHBondContact O-N 3.33Å; L24-A28 VanDerWaalsContact O-CB 3.27Å; L24-A28 WeakPolarHBondContact O-CB 3.5Å; L24-A28 PolarHBondContact O-N 2.98Å; L24-L78 HydrophobicContact CD2-CD1 3.46Å; L24-L78 VanDerWaalsContact CD2-CD1 3.46Å; L24-L83 HydrophobicContact CD1-CD2 4.49Å |
| 25 | L | 37.3 | Very low | 35.2 | Very low | 113 Ų | 113 | 69.1 Ų | 69.1 | 59% | 0.592 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -73 | -33.3 | 173.4 | -79.6 | 161.2 | 0 | 0 | 0 | 112.3 | L21 W22 T23 A29 | L21-L25 HydrophobicContact CG-CD1 4.41Å; L21-L25 WeakPolarHBondContact O-CB 3.35Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 3.5Å; W22-L25 PolarHBondContact O-N 2.98Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 2.95Å; L25-A29 WeakPolarHBondContact O-CB 3.48Å; L25-A29 PolarHBondContact O-N 3.5Å |
| 26 | L | 37.6 | Very low | 36.1 | Very low | 100 Ų | 100 | 65.7 Ų | 65.7 | 52% | 0.524 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -73.9 | -22.4 | 170.1 | -79.4 | 157.5 | 0 | 0 | 0 | 112.8 | W22 T23 A29 | W22-L26 HydrophobicContact CE3-CD1 4.01Å; W22-L26 HydrophobicContact CE3-CG 4.46Å; W22-L26 WeakPolarHBondContact O-CB 3.49Å; W22-L26 WeakPolarHBondContact O-CD1 3.37Å; W22-L26 VanDerWaalsContact O-CG 3.29Å; W22-L26 WeakPolarHBondContact O-CG 3.33Å; W22-L26 PolarHBondContact O-N 2.97Å; T23-L26 CarbonylContact O-C 3.59Å; T23-L26 PolarHBondContact O-N 3.3Å; L26-A29 WeakPolarHBondContact O-CB 3.1Å |
| 27 | F | 39 | Very low | 37.3 | Very low | 74 Ų | 74 | 62.6 Ų | 62.6 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -99.2 | -14.1 | 176.6 | -80 | -69 | 0 | 0 | 0 | 112.9 | T23 L24 A29 P30 A110 C130 | T23-F27 HydrophobicContact CG2-CD2 4.43Å; T23-F27 HydrophobicContact CG2-CE2 4.1Å; T23-F27 WeakPolarHBondContact O-CA 3.33Å; T23-F27 WeakPolarHBondContact O-CB 3.44Å; T23-F27 WeakPolarHBondContact O-CD2 3.47Å; T23-F27 WeakPolarHBondContact O-CG 3.36Å; T23-F27 PolarHBondContact O-N 3.5Å; L24-F27 CarbonylContact O-C 3.47Å; L24-F27 PolarHBondContact O-N 3.33Å; F27-A29 VanDerWaalsContact C-N 3.31Å; F27-P30 WeakPolarHBondContact O-CD 3.46Å; F27-P30 WeakPolarHBondContact O-CG 3.14Å; F27-A110 HydrophobicContact CB-CB 4.29Å; F27-A110 HydrophobicContact CG-CB 4.39Å; F27-C130 PolarHBondContact O-SG 3.33Å |
| 28 | A | 35.1 | Very low | 38.4 | Very low | 46 Ų | 46 | 61.6 Ų | 61.6 | 38% | 0.38 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -83.7 | -15.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L24 P30 F31 | L24-A28 VanDerWaalsContact O-CB 3.27Å; L24-A28 WeakPolarHBondContact O-CB 3.5Å; L24-A28 PolarHBondContact O-N 2.98Å; A28-P30 VanDerWaalsContact C-N 3.3Å; A28-F31 PolarHBondContact O-N 2.91Å; A28-F31 VanDerWaalsContact O-N 3.14Å |
| 29 | A | 32.8 | Very low | 40.2 | Very low | 19 Ų | 19 | 58 Ų | 58 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.5 | -22.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L25 L26 F27 F31 G32 L33 | L25-A29 WeakPolarHBondContact O-CB 3.48Å; L25-A29 PolarHBondContact O-N 3.5Å; L26-A29 WeakPolarHBondContact O-CB 3.1Å; F27-A29 VanDerWaalsContact C-N 3.31Å; A29-F31 PolarHBondContact O-N 2.91Å; A29-G32 CarbonylContact O-C 3.49Å; A29-G32 WeakPolarHBondContact O-CA 3.41Å; A29-G32 PolarHBondContact O-N 3.38Å; A29-L33 HydrophobicContact CB-CD1 3.29Å; A29-L33 HydrophobicContact CB-CG 3.86Å; A29-L33 VanDerWaalsContact O-CA 3.3Å; A29-L33 WeakPolarHBondContact O-CA 3.26Å; A29-L33 WeakPolarHBondContact O-CB 3.21Å; A29-L33 WeakPolarHBondContact O-CG 3.05Å; A29-L33 PolarHBondContact O-N 2.86Å |
| 30 | P | 36 | Very low | 42.9 | Very low | 14 Ų | 14 | 54.5 Ų | 54.5 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -55.5 | -36.9 | 169.2 | -22.4 | 33.7 | 0 | 0 | 0 | 112.6 | F27 A28 G32 L34 | F27-P30 WeakPolarHBondContact O-CD 3.46Å; F27-P30 WeakPolarHBondContact O-CG 3.14Å; A28-P30 VanDerWaalsContact C-N 3.3Å; P30-G32 VanDerWaalsContact C-N 3.33Å; P30-G32 PolarHBondContact O-N 3.43Å; P30-L34 HydrophobicContact CB-CD1 3.9Å; P30-L34 WeakPolarHBondContact O-CA 3.35Å; P30-L34 WeakPolarHBondContact O-CB 3.36Å; P30-L34 WeakPolarHBondContact O-CD1 3.21Å; P30-L34 PolarHBondContact O-N 3.47Å |
| 31 | F | 38 | Very low | 45.5 | Very low | 48 Ų | 48 | 51.1 Ų | 51.1 | 21% | 0.211 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.4 | -30.6 | 174.6 | -63.8 | -78.8 | 0 | 0 | 0 | 112.6 | A28 A29 V108 L132 L270 | A28-F31 PolarHBondContact O-N 2.91Å; A28-F31 VanDerWaalsContact O-N 3.14Å; A29-F31 PolarHBondContact O-N 2.91Å; F31-V108 HydrophobicContact CD2-CG2 4.48Å; F31-V108 HydrophobicContact CE2-CB 4.4Å; F31-V108 HydrophobicContact CE2-CG1 3.76Å; F31-V108 HydrophobicContact CE2-CG2 3.69Å; F31-V108 HydrophobicContact CZ-CG2 4Å; F31-L132 HydrophobicContact CE1-CB 4.35Å; F31-L132 HydrophobicContact CE1-CD1 4.1Å; F31-L132 HydrophobicContact CE1-CD2 4.03Å; F31-L132 HydrophobicContact CE1-CG 4.39Å; F31-L132 HydrophobicContact CZ-CB 3.98Å; F31-L132 HydrophobicContact CZ-CD1 3.87Å; F31-L132 HydrophobicContact CZ-CD2 4.44Å; F31-L132 HydrophobicContact CZ-CG 4.31Å; F31-L270 HydrophobicContact CD1-CD2 4.03Å; F31-L270 HydrophobicContact CE1-CD1 3.71Å; F31-L270 HydrophobicContact CE1-CD2 3.68Å; F31-L270 HydrophobicContact CE1-CG 4.38Å; F31-L270 HydrophobicContact CE2-CD1 4.48Å; F31-L270 HydrophobicContact CZ-CD1 3.54Å; F31-L270 HydrophobicContact CZ-CD2 4.17Å; F31-L270 HydrophobicContact CZ-CG 4.5Å |
| 32 | G | 33.9 | Very low | 48.2 | Very low | 12 Ų | 12 | 46.8 Ų | 46.8 | 12% | 0.124 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -89.4 | -22 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116 | A29 P30 F237 | A29-G32 CarbonylContact O-C 3.49Å; A29-G32 WeakPolarHBondContact O-CA 3.41Å; A29-G32 PolarHBondContact O-N 3.38Å; P30-G32 VanDerWaalsContact C-N 3.33Å; P30-G32 PolarHBondContact O-N 3.43Å; G32-F237 WeakPolarHBondContact O-CE2 3.3Å |
| 33 | L | 33.2 | Very low | 51.3 | Low | 82 Ų | 82 | 38.8 Ų | 38.8 | 43% | 0.429 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -103.9 | -27.2 | -173.4 | -79.2 | 162.6 | 0 | 0 | 0 | 111.2 | A29 F236 F237 | A29-L33 HydrophobicContact CB-CD1 3.29Å; A29-L33 HydrophobicContact CB-CG 3.86Å; A29-L33 VanDerWaalsContact O-CA 3.3Å; A29-L33 WeakPolarHBondContact O-CA 3.26Å; A29-L33 WeakPolarHBondContact O-CB 3.21Å; A29-L33 WeakPolarHBondContact O-CG 3.05Å; A29-L33 PolarHBondContact O-N 2.86Å; L33-F236 HydrophobicContact CD2-CE1 3.7Å; L33-F236 HydrophobicContact CD2-CE2 4.03Å; L33-F236 HydrophobicContact CD2-CZ 3.27Å; L33-F236 HydrophobicContact CG-CZ 4.25Å; L33-F237 WeakPolarHBondContact O-CZ 3.44Å |
| 34 | L | 39.6 | Very low | 53.9 | Low | 14 Ų | 14 | 37.5 Ų | 37.5 | 7% | 0.073 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -95.6 | -2.7 | 168.9 | -73.8 | 88.4 | 0 | 0 | 0 | 112.6 | P30 E36 W186 V272 | P30-L34 HydrophobicContact CB-CD1 3.9Å; P30-L34 WeakPolarHBondContact O-CA 3.35Å; P30-L34 WeakPolarHBondContact O-CB 3.36Å; P30-L34 WeakPolarHBondContact O-CD1 3.21Å; P30-L34 PolarHBondContact O-N 3.47Å; L34-E36 PolarHBondContact O-N 3.33Å; L34-E36 VanDerWaalsContact O-N 3.08Å; L34-W186 HydrophobicContact CB-CH2 4.28Å; L34-W186 HydrophobicContact CB-CZ2 4.06Å; L34-W186 HydrophobicContact CD2-CD2 4.01Å; L34-W186 HydrophobicContact CD2-CE3 3.61Å; L34-W186 HydrophobicContact CD2-CH2 3.43Å; L34-W186 VanDerWaalsContact CD2-CH2 3.43Å; L34-W186 HydrophobicContact CD2-CZ2 3.88Å; L34-W186 HydrophobicContact CD2-CZ3 3.29Å; L34-W186 HydrophobicContact CG-CH2 4.5Å; L34-V272 HydrophobicContact CD1-CG2 3.79Å |
| 35 | G | 39.3 | Very low | 56.4 | Low | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | trans | 60.9 | 20.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K37 | G35-K37 PolarHBondContact O-N 2.97Š| ||
| 36 | E | 48.1 | Very low | 58.7 | Low | 10 Ų | 10 | 31.8 Ų | 31.8 | 5% | 0.047 | 17% | 0.169 | C | C | . | . | trans | -81.5 | 114.3 | -179.1 | -169.2 | 164.4 | -163.8 | 0 | 0 | 110 | L34 V152 A153 T154 W186 M268 L270 | L34-E36 PolarHBondContact O-N 3.33Å; L34-E36 VanDerWaalsContact O-N 3.08Å; E36-V152 HydrophobicContact CG-CG1 3.7Å; E36-V152 WeakPolarHBondContact OE1-CG1 3.29Å; E36-A153 CarbonylContact C-O 3.55Å; E36-A153 VanDerWaalsContact CA-O 3.28Å; E36-A153 WeakPolarHBondContact CA-O 3.21Å; E36-T154 HydrophobicContact CB-CG2 4.29Å; E36-T154 HydrophobicContact CG-CG2 3.97Å; E36-W186 HydrophobicContact CB-CZ2 4.42Å; E36-W186 WeakPolarHBondContact OE2-CH2 3.33Å; E36-M268 VanDerWaalsContact CD-CE 3.45Å; E36-M268 HydrophobicContact CG-CE 4.4Å; E36-M268 WeakPolarHBondContact OE1-CE 3.49Å; E36-M268 WeakPolarHBondContact OE2-CE 3.25Å; E36-L270 HydrophobicContact CB-CD2 4.47Å; E36-L270 WeakPolarHBondContact OE2-CD2 2.97Å | ||
| 37 | K | 55 | Low | 60.7 | Low | 49 Ų | 49 | 30 Ų | 30 | 21% | 0.213 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 120.6 | 179.6 | -178.7 | 169.1 | -178.5 | 176.6 | 0 | 108.7 | G35 R39 A153 S230 | G35-K37 PolarHBondContact O-N 2.97Å; K37-R39 HydrophobicContact CB-CG 4.5Å; K37-R39 HydrophobicContact CD-CG 4.49Å; K37-R39 HydrophobicContact CG-CG 4.08Å; K37-R39 PolarHBondContact O-N 2.83Å; K37-A153 PolarHBondContact N-O 2.68Å; K37-A153 PolarHBondContact O-N 2.73Å; K37-S230 WeakPolarHBondContact CD-OG 3.48Å; K37-S230 VanDerWaalsContact NZ-CB 3.26Å; K37-S230 PolarHBondContact NZ-OG 3.14Å; K37-S230 VanDerWaalsContact NZ-OG 3.08Å |
| 38 | T | 55.1 | Low | 62.2 | Low | 29 Ų | 29 | 33.5 Ų | 33.5 | 18% | 0.178 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 127.2 | 158.3 | 48.3 | 0 | 0 | 0 | 0 | 107.8 | F106 E151 V152 | T38-F106 HydrophobicContact CG2-CE1 3.87Å; T38-F106 HydrophobicContact CG2-CZ 4.27Å; T38-F106 WeakPolarHBondContact OG1-CE1 3.28Å; T38-F106 VanDerWaalsContact OG1-CZ 3.3Å; T38-F106 WeakPolarHBondContact OG1-CZ 3.29Å; T38-E151 WeakPolarHBondContact CA-O 3.5Å; T38-V152 HydrophobicContact CG2-CG2 4.33Å |
| 39 | R | 74.7 | Confident | 63.8 | Low | 25 Ų | 25 | 33.1 Ų | 33.1 | 9% | 0.094 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -42.8 | -169.9 | -71.6 | -176.8 | 174 | 172.8 | 0.8 | 112.4 | K37 L66 E151 A153 F243 | K37-R39 HydrophobicContact CB-CG 4.5Å; K37-R39 HydrophobicContact CD-CG 4.49Å; K37-R39 HydrophobicContact CG-CG 4.08Å; K37-R39 PolarHBondContact O-N 2.83Å; R39-L66 WeakPolarHBondContact O-CB 2.97Å; R39-L66 WeakPolarHBondContact O-CG 3.49Å; R39-L66 PolarHBondContact O-N 3.33Å; R39-E151 HydrophobicContact CB-CG 4.42Å; R39-E151 VanDerWaalsContact CB-OE2 3.25Å; R39-E151 WeakPolarHBondContact CB-OE2 2.89Å; R39-E151 PolarHBondContact N-O 3.23Å; R39-A153 HydrophobicContact CG-CB 4.39Å; R39-F243 VanDerWaalsContact NH2-CD1 3.26Å |
| 40 | Q | 87.2 | Confident | 65.1 | Low | 57 Ų | 57 | 35.4 Ų | 35.4 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 136.5 | -172.3 | -58 | 179.6 | 31 | 0 | 0 | 109.7 | L42 P63 Y64 L150 E151 | Q40-L42 HydrophobicContact CB-CD2 3.91Å; Q40-P63 HydrophobicContact CB-CB 4.18Å; Q40-Y64 VanDerWaalsContact CA-O 3.26Å; Q40-Y64 WeakPolarHBondContact CA-O 3.33Å; Q40-L150 WeakPolarHBondContact O-CA 3.48Å; Q40-E151 HydrophobicContact CB-CB 3.98Å; Q40-E151 HydrophobicContact CG-CB 4.5Å; Q40-E151 WeakPolarHBondContact CG-OE2 3.37Å; Q40-E151 PolarHBondContact NE2-OE2 2.96Å; Q40-E151 PolarHBondContact O-N 2.99Å |
| 41 | L | 92.8 | Very high | 66 | Low | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 120.2 | 158.8 | 176.2 | 76.3 | 0 | 0 | 0 | 107.2 | Y64 L66 F99 L136 F148 L150 | L41-Y64 HydrophobicContact CB-CD2 4.31Å; L41-Y64 HydrophobicContact CD2-CD2 3.91Å; L41-Y64 HydrophobicContact CD2-CE2 4.39Å; L41-Y64 HydrophobicContact CD2-CG 4.49Å; L41-Y64 HydrophobicContact CG-CD2 4.21Å; L41-Y64 PolarHBondContact N-O 2.96Å; L41-Y64 PolarHBondContact O-N 2.85Å; L41-L66 HydrophobicContact CB-CD2 4.3Å; L41-F99 HydrophobicContact CD2-CZ 3.84Å; L41-L136 HydrophobicContact CD1-CD2 4.45Å; L41-L136 HydrophobicContact CD2-CD1 4.08Å; L41-L136 HydrophobicContact CD2-CD2 4.39Å; L41-F148 HydrophobicContact CD1-CD1 4.21Å; L41-F148 HydrophobicContact CD2-CD1 4.41Å; L41-F148 HydrophobicContact CG-CD1 4.32Å; L41-L150 HydrophobicContact CD1-CD2 4.09Å |
| 42 | L | 93.5 | Very high | 66.6 | Low | 14 Ų | 14 | 42 Ų | 42 | 7% | 0.073 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 149.6 | -178.4 | -51.6 | 176.1 | 0 | 0 | 0 | 109.5 | Q40 F44 P63 F148 G149 E151 N247 | Q40-L42 HydrophobicContact CB-CD2 3.91Å; L42-F44 HydrophobicContact CB-CD2 4.5Å; L42-F44 HydrophobicContact CB-CE2 3.6Å; L42-F44 HydrophobicContact CB-CZ 3.98Å; L42-F44 HydrophobicContact CD1-CE2 4.24Å; L42-F44 HydrophobicContact CD1-CZ 4.1Å; L42-P63 HydrophobicContact CD2-CB 3.89Å; L42-F148 CarbonylContact O-C 3.5Å; L42-F148 WeakPolarHBondContact O-CA 3.45Å; L42-G149 PolarHBondContact N-O 2.83Å; L42-G149 PolarHBondContact O-N 3.46Å; L42-E151 HydrophobicContact CD1-CB 4.46Å; L42-N247 HydrophobicContact CD1-CB 4.04Å |
| 43 | E | 94.6 | Very high | 67.2 | Low | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 134.5 | 174.7 | -169.9 | -177.4 | -178.5 | 0 | 0 | 109.3 | Y61 P141 R142 S146 L147 F148 | E43-Y61 HydrophobicContact CB-CD2 4.2Å; E43-Y61 HydrophobicContact CG-CD2 3.81Å; E43-Y61 HydrophobicContact CG-CE2 4.44Å; E43-Y61 PolarHBondContact O-N 2.9Å; E43-P141 WeakPolarHBondContact OE1-CA 3.43Å; E43-R142 PolarHBondContact OE1-N 3.49Å; E43-R142 VanDerWaalsContact OE2-CD 3.29Å; E43-R142 WeakPolarHBondContact OE2-CD 3.3Å; E43-R142 WeakPolarHBondContact OE2-CG 3.43Å; E43-R142 IonicContact OE2-CZ 2.65Å; E43-R142 IonicContact OE2-NE 2.86Å; E43-R142 PolarHBondContact OE2-NE 2.79Å; E43-S146 WeakPolarHBondContact OE1-CB 3.32Å; E43-S146 PolarHBondContact OE1-OG 3.35Å; E43-L147 CarbonylContact C-O 3.58Å; E43-L147 VanDerWaalsContact CA-O 3.32Å; E43-L147 WeakPolarHBondContact CA-O 3.31Å; E43-F148 HydrophobicContact CB-CD1 4.28Å; E43-F148 HydrophobicContact CB-CE1 4.16Å; E43-F148 HydrophobicContact CG-CD1 4.25Å; E43-F148 HydrophobicContact CG-CE1 3.84Å; E43-F148 HydrophobicContact CG-CZ 4.04Å |
| 44 | F | 91.8 | Very high | 67.8 | Low | 30 Ų | 30 | 47.5 Ų | 47.5 | 13% | 0.132 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 138.1 | -176.4 | -55.2 | -91.6 | 0 | 0 | 0 | 110.9 | L42 R59 P60 S146 L147 T249 | L42-F44 HydrophobicContact CB-CD2 4.5Å; L42-F44 HydrophobicContact CB-CE2 3.6Å; L42-F44 HydrophobicContact CB-CZ 3.98Å; L42-F44 HydrophobicContact CD1-CE2 4.24Å; L42-F44 HydrophobicContact CD1-CZ 4.1Å; F44-R59 WeakPolarHBondContact CA-O 3.23Å; F44-P60 HydrophobicContact CD1-CB 3.86Å; F44-P60 HydrophobicContact CE1-CB 3.86Å; F44-S146 CarbonylContact O-C 3.57Å; F44-S146 WeakPolarHBondContact O-CA 3.01Å; F44-L147 HydrophobicContact CB-CB 4.46Å; F44-L147 PolarHBondContact N-O 3.37Å; F44-L147 PolarHBondContact O-N 3.45Å; F44-T249 HydrophobicContact CE2-CG2 3.87Å; F44-T249 HydrophobicContact CZ-CG2 4.49Å |
| 45 | D | 90.6 | Very high | 68.4 | Low | 37 Ų | 37 | 54.1 Ų | 54.1 | 20% | 0.198 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 111.5 | 169.8 | -177 | -4.6 | 0 | 0 | 0 | 110.8 | T47 G58 R59 Y61 | D45-T47 WeakPolarHBondContact OD1-CB 3.37Å; D45-T47 WeakPolarHBondContact OD1-CG2 3.32Å; D45-T47 PolarHBondContact OD1-N 3.15Å; D45-T47 PolarHBondContact OD1-OG1 3.35Å; D45-T47 PolarHBondContact OD2-OG1 3.41Å; D45-G58 CarbonylContact O-C 3.57Å; D45-G58 WeakPolarHBondContact O-CA 3.33Å; D45-R59 PolarHBondContact N-O 3.33Å; D45-R59 PolarHBondContact O-N 3.43Å; D45-R59 VanDerWaalsContact O-N 3.07Å; D45-Y61 HydrophobicContact CB-CE2 3.72Å |
| 46 | S | 86 | Confident | 69.2 | Low | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | trans | -94.8 | 7.8 | -177.4 | 67 | 0 | 0 | 0 | 0 | 115.2 | N48 V49 R145 | S46-N48 PolarHBondContact O-N 3Å; S46-V49 PolarHBondContact O-N 3.28Å; S46-R145 PolarHBondContact N-O 2.83Å; S46-R145 WeakPolarHBondContact OG-CB 3.18Å; S46-R145 PolarHBondContact OG-O 3.27Å | ||
| 47 | T | 79.1 | Confident | 70 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 39% | 0.387 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.4 | -173 | 47.3 | 0 | 0 | 0 | 0 | 116.3 | D45 R145 | D45-T47 WeakPolarHBondContact OD1-CB 3.37Å; D45-T47 WeakPolarHBondContact OD1-CG2 3.32Å; D45-T47 PolarHBondContact OD1-N 3.15Å; D45-T47 PolarHBondContact OD1-OG1 3.35Å; D45-T47 PolarHBondContact OD2-OG1 3.41Å; T47-R145 HydrophobicContact CG2-CB 4.16Å; T47-R145 HydrophobicContact CG2-CG 4.32Å |
| 48 | N | 70 | Confident | 71 | Confident | 148 Ų | 148 | 58.7 Ų | 58.7 | 79% | 0.791 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.8 | 18.9 | -177.2 | -66.3 | -64.2 | 0 | 0 | 0 | 113.9 | S46 | S46-N48 PolarHBondContact O-N 3Š|
| 49 | V | 69.3 | Low | 72.4 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 22% | 0.224 | 38% | 0.38 | C | S | . | . | trans | -90.1 | 121.2 | -177.6 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | S46 | S46-V49 PolarHBondContact O-N 3.28Š| ||
| 50 | S | 59.3 | Low | 73.1 | Confident | 67 Ų | 67 | 70.3 Ų | 70.3 | 47% | 0.469 | 41% | 0.405 | S | S | . | . | trans | -75.6 | 136.5 | 167.2 | 56.6 | 0 | 0 | 0 | 0 | 109.4 | T52 | S50-T52 PolarHBondContact O-N 2.91Å; S50-T52 PolarHBondContact OG-OG1 3.48Å | ||
| 51 | D | 55.3 | Low | 73.4 | Confident | 106 Ų | 106 | 70.5 Ų | 70.5 | 57% | 0.567 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -63.7 | 20.9 | -177.6 | -67.9 | -36.3 | 0 | 0 | 0 | 115.7 | S253 | D51-S253 PolarHBondContact OD1-OG 2.9Š|
| 52 | T | 49.9 | Very low | 73.3 | Confident | 95 Ų | 95 | 74.6 Ų | 74.6 | 58% | 0.583 | 43% | 0.431 | S | S | * | . | trans | -80.6 | 120.5 | 173.4 | 21.2 | 0 | 0 | 0 | 0 | 110 | S50 A54 K55 | S50-T52 PolarHBondContact O-N 2.91Å; S50-T52 PolarHBondContact OG-OG1 3.48Å; T52-A54 PolarHBondContact O-N 3.19Å; T52-K55 PolarHBondContact O-N 3.5Å | ||
| 53 | A | 48.1 | Very low | 73.2 | Confident | 108 Ų | 108 | 77 Ų | 77 | 89% | 0.893 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 9.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 54 | A | 44 | Very low | 73.1 | Confident | 102 Ų | 102 | 78.1 Ų | 78.1 | 84% | 0.843 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.9 | 8.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115 | T52 | T52-A54 PolarHBondContact O-N 3.19Š|
| 55 | K | 52.9 | Low | 73 | Confident | 153 Ų | 153 | 78.6 Ų | 78.6 | 67% | 0.665 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -121.9 | 155.6 | -179.4 | -107 | -175.4 | 172.3 | 170.9 | 0 | 112.1 | T52 L57 | T52-K55 PolarHBondContact O-N 3.5Å; K55-L57 PolarHBondContact O-N 3.2Å |
| 56 | P | 56.3 | Low | 73 | Confident | 99 Ų | 99 | 77.4 Ų | 77.4 | 64% | 0.643 | 45% | 0.452 | S | S | * | . | trans | -60 | 137.3 | -174.3 | 24.2 | -31.1 | 0 | 0 | 0 | 110.8 | G58 | P56-G58 PolarHBondContact O-N 3.24Š| ||
| 57 | L | 65 | Low | 73.1 | Confident | 45 Ų | 45 | 80 Ų | 80 | 24% | 0.236 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -61.4 | 1.1 | -174.5 | -68.2 | 159.9 | 0 | 0 | 0 | 115 | K55 T249 | K55-L57 PolarHBondContact O-N 3.2Å; L57-T249 HydrophobicContact CD1-CG2 3.52Å; L57-T249 WeakPolarHBondContact CD1-OG1 3.35Å |
| 58 | G | 75 | Confident | 73.6 | Confident | 12 Ų | 12 | 81.6 Ų | 81.6 | 12% | 0.124 | 48% | 0.48 | C | S | . | . | S | Bend | trans | 148.1 | -177.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D45 P56 | D45-G58 CarbonylContact O-C 3.57Å; D45-G58 WeakPolarHBondContact O-CA 3.33Å; P56-G58 PolarHBondContact O-N 3.24Å |
| 59 | R | 85.1 | Confident | 74.7 | Confident | 201 Ų | 201 | 75 Ų | 75 | 76% | 0.758 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 123.4 | 167.4 | -67.8 | -177.9 | -178.6 | -175.9 | 1.2 | 108.4 | F44 D45 | F44-R59 WeakPolarHBondContact CA-O 3.23Å; D45-R59 PolarHBondContact N-O 3.33Å; D45-R59 PolarHBondContact O-N 3.43Å; D45-R59 VanDerWaalsContact O-N 3.07Å |
| 60 | P | 90.2 | Very high | 75.8 | Confident | 97 Ų | 97 | 75.1 Ų | 75.1 | 63% | 0.63 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 136.2 | -179.4 | 28.3 | -33.5 | 0 | 0 | 0 | 110.8 | F44 | F44-P60 HydrophobicContact CD1-CB 3.86Å; F44-P60 HydrophobicContact CE1-CB 3.86Å |
| 61 | Y | 92.8 | Very high | 77.3 | Confident | 60 Ų | 60 | 76.3 Ų | 76.3 | 24% | 0.235 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 161.9 | 163.1 | -70.2 | -77 | 0 | 0 | 0 | 110.5 | E43 D45 R142 | E43-Y61 HydrophobicContact CB-CD2 4.2Å; E43-Y61 HydrophobicContact CG-CD2 3.81Å; E43-Y61 HydrophobicContact CG-CE2 4.44Å; E43-Y61 PolarHBondContact O-N 2.9Å; D45-Y61 HydrophobicContact CB-CE2 3.72Å; Y61-R142 HydrophobicContact CD1-CB 4.1Å; Y61-R142 HydrophobicContact CD2-CB 4.46Å; Y61-R142 HydrophobicContact CE1-CB 3.91Å; Y61-R142 HydrophobicContact CE2-CB 4.29Å; Y61-R142 HydrophobicContact CG-CB 4.37Å |
| 62 | P | 91.8 | Very high | 79.2 | Confident | 90 Ų | 90 | 75.1 Ų | 75.1 | 58% | 0.584 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 121.5 | 171 | -27.8 | 33.2 | 0 | 0 | 0 | 111.2 | R142 | P62-R142 VanDerWaalsContact CD-NH1 3.34Å; P62-R142 VanDerWaalsContact O-CZ 3.24Å; P62-R142 PolarHBondContact O-NH1 2.88Å; P62-R142 PolarHBondContact O-NH2 3.43Å |
| 63 | P | 91.4 | Very high | 81.1 | Confident | 65 Ų | 65 | 75.1 Ų | 75.1 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 154.7 | -174.5 | 28.8 | -35.4 | 0 | 0 | 0 | 111.8 | Q40 L42 | Q40-P63 HydrophobicContact CB-CB 4.18Å; L42-P63 HydrophobicContact CD2-CB 3.89Å |
| 64 | Y | 91.8 | Very high | 83.1 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 9% | 0.094 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 114.3 | 173.2 | -56.9 | -93.1 | 0 | 0 | 0 | 109.7 | Q40 L41 L66 P91 T98 F99 R142 | Q40-Y64 VanDerWaalsContact CA-O 3.26Å; Q40-Y64 WeakPolarHBondContact CA-O 3.33Å; L41-Y64 HydrophobicContact CB-CD2 4.31Å; L41-Y64 HydrophobicContact CD2-CD2 3.91Å; L41-Y64 HydrophobicContact CD2-CE2 4.39Å; L41-Y64 HydrophobicContact CD2-CG 4.49Å; L41-Y64 HydrophobicContact CG-CD2 4.21Å; L41-Y64 PolarHBondContact N-O 2.96Å; L41-Y64 PolarHBondContact O-N 2.85Å; Y64-L66 PolarHBondContact O-N 3.44Å; Y64-P91 HydrophobicContact CD1-CG 4.21Å; Y64-T98 WeakPolarHBondContact OH-CG2 3.45Å; Y64-F99 AromaticContact CD1-CE2 4Å; Y64-F99 HydrophobicContact CD1-CE2 4Å; Y64-F99 HydrophobicContact CE1-CD2 4.23Å; Y64-F99 AromaticContact CE1-CE2 3.6Å; Y64-F99 HydrophobicContact CE1-CE2 3.6Å; Y64-F99 HydrophobicContact CE2-CE2 4.33Å; Y64-F99 AromaticContact CZ-CE2 3.75Å; Y64-R142 PolarHBondContact OH-NE 3.18Å; Y64-R142 PolarHBondContact OH-NH2 2.78Å |
| 65 | S | 90.4 | Very high | 85.2 | Confident | 41 Ų | 41 | 73.4 Ų | 73.4 | 29% | 0.287 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 118.1 | 173.1 | 166 | 0 | 0 | 0 | 0 | 110.2 | A67 D68 F69 | S65-A67 PolarHBondContact O-N 3.05Å; S65-A67 PolarHBondContact OG-N 2.91Å; S65-D68 WeakPolarHBondContact CB-OD2 3.48Å; S65-D68 PolarHBondContact O-N 3.32Å; S65-D68 VanDerWaalsContact O-N 3.07Å; S65-D68 PolarHBondContact OG-OD2 2.86Å; S65-F69 WeakPolarHBondContact O-CD2 3.47Å |
| 66 | L | 89.8 | Confident | 86.9 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 6% | 0.058 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -71.3 | -13 | 178.2 | -60.4 | -174.6 | 0 | 0 | 0 | 112.8 | R39 L41 Y64 D68 F69 L104 F106 | R39-L66 WeakPolarHBondContact O-CB 2.97Å; R39-L66 WeakPolarHBondContact O-CG 3.49Å; R39-L66 PolarHBondContact O-N 3.33Å; L41-L66 HydrophobicContact CB-CD2 4.3Å; Y64-L66 PolarHBondContact O-N 3.44Å; L66-D68 VanDerWaalsContact C-N 3.25Å; L66-F69 HydrophobicContact CD2-CD1 4.45Å; L66-F69 HydrophobicContact CD2-CD2 4.26Å; L66-F69 HydrophobicContact CD2-CE1 4.23Å; L66-F69 HydrophobicContact CD2-CE2 4.01Å; L66-F69 HydrophobicContact CD2-CG 4.48Å; L66-F69 HydrophobicContact CD2-CZ 4Å; L66-L104 HydrophobicContact CD1-CD2 4.34Å; L66-L104 HydrophobicContact CD2-CD2 3.43Å; L66-L104 VanDerWaalsContact CD2-CD2 3.43Å; L66-F106 HydrophobicContact CD1-CE2 4.15Å; L66-F106 HydrophobicContact CD1-CZ 3.82Å |
| 67 | A | 87.2 | Confident | 88.6 | Confident | 56 Ų | 56 | 69.7 Ų | 69.7 | 46% | 0.463 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -71.5 | -23.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S65 F69 | S65-A67 PolarHBondContact O-N 3.05Å; S65-A67 PolarHBondContact OG-N 2.91Å; A67-F69 VanDerWaalsContact C-N 3.31Å |
| 68 | D | 90.4 | Very high | 89.9 | Confident | 96 Ų | 96 | 70.7 Ų | 70.7 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -96.8 | 21 | -179.2 | -57.5 | -54.3 | 0 | 0 | 0 | 112.3 | S65 L66 M92 | S65-D68 WeakPolarHBondContact CB-OD2 3.48Å; S65-D68 PolarHBondContact O-N 3.32Å; S65-D68 VanDerWaalsContact O-N 3.07Å; S65-D68 PolarHBondContact OG-OD2 2.86Å; L66-D68 VanDerWaalsContact C-N 3.25Å; D68-M92 VanDerWaalsContact C-CE 3.45Å; D68-M92 HydrophobicContact CB-CE 4.33Å; D68-M92 WeakPolarHBondContact O-CB 3.42Å; D68-M92 WeakPolarHBondContact O-CG 3.15Å; D68-M92 PolarHBondContact O-N 3.22Å |
| 69 | F | 92.1 | Very high | 90.9 | Very high | 10 Ų | 10 | 73 Ų | 73 | 4% | 0.044 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 144.3 | 175.2 | -86 | -131.8 | 0 | 0 | 0 | 111.1 | S65 L66 A67 W71 H90 P91 F99 L104 | S65-F69 WeakPolarHBondContact O-CD2 3.47Å; L66-F69 HydrophobicContact CD2-CD1 4.45Å; L66-F69 HydrophobicContact CD2-CD2 4.26Å; L66-F69 HydrophobicContact CD2-CE1 4.23Å; L66-F69 HydrophobicContact CD2-CE2 4.01Å; L66-F69 HydrophobicContact CD2-CG 4.48Å; L66-F69 HydrophobicContact CD2-CZ 4Å; A67-F69 VanDerWaalsContact C-N 3.31Å; F69-W71 HydrophobicContact CB-CZ2 3.67Å; F69-W71 HydrophobicContact CD1-CH2 4.05Å; F69-W71 AromaticContact CD1-CZ2 3.98Å; F69-W71 HydrophobicContact CD1-CZ2 3.98Å; F69-W71 HydrophobicContact CG-CZ2 4.09Å; F69-H90 CarbonylContact C-O 3.57Å; F69-H90 VanDerWaalsContact CA-O 3.29Å; F69-H90 WeakPolarHBondContact CA-O 3.26Å; F69-H90 VanDerWaalsContact CD1-C 3.44Å; F69-P91 HydrophobicContact CD2-CB 4.41Å; F69-P91 HydrophobicContact CD2-CG 4.37Å; F69-P91 HydrophobicContact CE1-CG 4.31Å; F69-P91 HydrophobicContact CE2-CB 4.12Å; F69-P91 HydrophobicContact CE2-CG 3.68Å; F69-P91 HydrophobicContact CZ-CG 3.64Å; F69-F99 HydrophobicContact CE1-CE1 4.44Å; F69-F99 HydrophobicContact CZ-CE1 4.47Å; F69-F99 HydrophobicContact CZ-CZ 4.28Å; F69-L104 HydrophobicContact CE1-CB 3.99Å; F69-L104 HydrophobicContact CE1-CD2 4.21Å |
| 70 | S | 92.8 | Very high | 91.2 | Very high | 40 Ų | 40 | 67.5 Ų | 67.5 | 28% | 0.28 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 136.1 | 162.2 | 50.9 | 0 | 0 | 0 | 0 | 109.6 | G89 H90 | S70-G89 WeakPolarHBondContact O-CA 3.35Å; S70-H90 PolarHBondContact N-O 3.48Å; S70-H90 PolarHBondContact O-N 3.27Å; S70-H90 VanDerWaalsContact O-N 3.12Å; S70-H90 PolarHBondContact OG-CE1 3.1Å; S70-H90 PolarHBondContact OG-ND1 2.9Å; S70-H90 PolarHBondContact OG-NE2 3.47Å; S70-H90 PolarHBondContact OG-O 3.48Å |
| 71 | W | 92.3 | Very high | 91.3 | Very high | 91 Ų | 91 | 67.3 Ų | 67.3 | 35% | 0.345 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139 | -176.1 | -59.8 | 91.6 | 0 | 0 | 0 | 110.4 | F69 F87 Q88 L104 F106 | F69-W71 HydrophobicContact CB-CZ2 3.67Å; F69-W71 HydrophobicContact CD1-CH2 4.05Å; F69-W71 AromaticContact CD1-CZ2 3.98Å; F69-W71 HydrophobicContact CD1-CZ2 3.98Å; F69-W71 HydrophobicContact CG-CZ2 4.09Å; W71-F87 HydrophobicContact CE3-CB 3.97Å; W71-F87 HydrophobicContact CZ3-CB 4.35Å; W71-F87 WeakPolarHBondContact CZ3-O 3.43Å; W71-Q88 WeakPolarHBondContact CA-O 3.18Å; W71-L104 HydrophobicContact CH2-CD2 4.48Å; W71-F106 AromaticContact CH2-CD2 3.63Å; W71-F106 HydrophobicContact CH2-CD2 3.63Å; W71-F106 AromaticContact CH2-CE2 3.51Å; W71-F106 HydrophobicContact CH2-CE2 3.51Å; W71-F106 HydrophobicContact CZ2-CE2 4.34Å; W71-F106 AromaticContact CZ3-CD2 3.75Å; W71-F106 HydrophobicContact CZ3-CD2 3.75Å; W71-F106 HydrophobicContact CZ3-CE2 4.12Å |
| 72 | N | 93.3 | Very high | 91.2 | Very high | 82 Ų | 82 | 67 Ų | 67 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | trans | -64.5 | 158.9 | 173.3 | -70.9 | -12.5 | 0 | 0 | 0 | 111.1 | I74 Q88 | N72-I74 PolarHBondContact O-N 3.44Å; N72-Q88 PolarHBondContact N-O 3.1Å; N72-Q88 PolarHBondContact ND2-OE1 3.37Å | ||
| 73 | N | 91.2 | Very high | 91.4 | Very high | 95 Ų | 95 | 65 Ų | 65 | 51% | 0.508 | 38% | 0.381 | S | S | . | . | trans | -67 | 126.1 | 175.9 | -169.4 | -16.9 | 0 | 0 | 0 | 110.2 | T75 D76 | N73-T75 PolarHBondContact O-N 2.82Å; N73-T75 WeakPolarHBondContact OD1-CB 3.14Å; N73-T75 PolarHBondContact OD1-N 2.99Å; N73-T75 PolarHBondContact OD1-OG1 3.47Å; N73-D76 PolarHBondContact O-N 3.46Å | ||
| 74 | I | 88.9 | Confident | 91.5 | Very high | 76 Ų | 76 | 62.2 Ų | 62.2 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -64.3 | -22.8 | 178.8 | 62 | 172.3 | 0 | 0 | 0 | 113.2 | N72 D76 S77 L78 F87 | N72-I74 PolarHBondContact O-N 3.44Å; I74-D76 PolarHBondContact O-N 2.94Å; I74-S77 PolarHBondContact O-N 2.03Å; I74-S77 VanDerWaalsContact O-N 3.12Å; I74-S77 PolarHBondContact O-OG 2.91Å; I74-L78 PolarHBondContact O-N 2.79Å; I74-F87 HydrophobicContact CG2-CD1 3.5Å; I74-F87 HydrophobicContact CG2-CE1 3.28Å; I74-F87 HydrophobicContact CG2-CG 4.26Å; I74-F87 HydrophobicContact CG2-CZ 3.85Å |
| 75 | T | 89.1 | Confident | 91.7 | Very high | 98 Ų | 98 | 61.6 Ų | 61.6 | 60% | 0.601 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -61.8 | -31.4 | -177.2 | -47.6 | 0 | 0 | 0 | 0 | 111 | N73 S77 | N73-T75 PolarHBondContact O-N 2.82Å; N73-T75 WeakPolarHBondContact OD1-CB 3.14Å; N73-T75 PolarHBondContact OD1-N 2.99Å; N73-T75 PolarHBondContact OD1-OG1 3.47Å; T75-S77 VanDerWaalsContact C-N 3.32Å |
| 76 | D | 88.4 | Confident | 91.9 | Very high | 138 Ų | 138 | 61.4 Ų | 61.4 | 74% | 0.738 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -77.1 | -20.7 | -178.4 | -55.7 | -33.1 | 0 | 0 | 0 | 112.5 | N73 I74 | N73-D76 PolarHBondContact O-N 3.46Å; I74-D76 PolarHBondContact O-N 2.94Å |
| 77 | S | 91.1 | Very high | 92.1 | Very high | 36 Ų | 36 | 64.7 Ų | 64.7 | 25% | 0.252 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | -3.1 | -176.5 | 71.8 | 0 | 0 | 0 | 0 | 114.1 | I74 T75 D79 T86 | I74-S77 PolarHBondContact O-N 2.03Å; I74-S77 VanDerWaalsContact O-N 3.12Å; I74-S77 PolarHBondContact O-OG 2.91Å; T75-S77 VanDerWaalsContact C-N 3.32Å; S77-D79 PolarHBondContact O-N 2.8Å; S77-T86 PolarHBondContact OG-N 2.89Å; S77-T86 PolarHBondContact OG-O 3.27Å |
| 78 | L | 94 | Very high | 92.5 | Very high | 66 Ų | 66 | 65.6 Ų | 65.6 | 35% | 0.346 | 37% | 0.369 | S | S | . | . | trans | -71.7 | 119.3 | 178.3 | 178.6 | 65.3 | 0 | 0 | 0 | 110.3 | L24 I74 A85 | L24-L78 HydrophobicContact CD2-CD1 3.46Å; L24-L78 VanDerWaalsContact CD2-CD1 3.46Å; I74-L78 PolarHBondContact O-N 2.79Å; L78-A85 HydrophobicContact CD1-CB 4.13Å | ||
| 79 | D | 94.1 | Very high | 92.7 | Very high | 60 Ų | 60 | 61.1 Ų | 61.1 | 32% | 0.321 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -118.3 | 101.4 | 175.2 | 179.4 | 3 | 0 | 0 | 0 | 110.4 | S77 A81 T82 L83 S84 | S77-D79 PolarHBondContact O-N 2.8Å; D79-A81 VanDerWaalsContact C-N 3.25Å; D79-A81 PolarHBondContact O-N 2.75Å; D79-A81 WeakPolarHBondContact OD1-CB 3.49Å; D79-A81 PolarHBondContact OD1-N 3.46Å; D79-T82 WeakPolarHBondContact CB-OG1 3Å; D79-T82 PolarHBondContact O-N 3.19Å; D79-T82 PolarHBondContact OD1-N 2.93Å; D79-T82 WeakPolarHBondContact OD2-CB 3.09Å; D79-T82 WeakPolarHBondContact OD2-CG2 3.33Å; D79-T82 PolarHBondContact OD2-OG1 2.89Å; D79-L83 WeakPolarHBondContact O-CA 3.3Å; D79-L83 PolarHBondContact O-N 2.84Å; D79-S84 PolarHBondContact N-O 2.83Å; D79-S84 PolarHBondContact O-N 3.25Å |
| 80 | P | 92.8 | Very high | 92.8 | Very high | 85 Ų | 85 | 64.4 Ų | 64.4 | 55% | 0.552 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -24.7 | 177.5 | -21.7 | 33.7 | 0 | 0 | 0 | 114 | ||
| 81 | A | 92.8 | Very high | 92.8 | Very high | 93 Ų | 93 | 63.1 Ų | 63.1 | 77% | 0.769 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -36.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | D79 | D79-A81 VanDerWaalsContact C-N 3.25Å; D79-A81 PolarHBondContact O-N 2.75Å; D79-A81 WeakPolarHBondContact OD1-CB 3.49Å; D79-A81 PolarHBondContact OD1-N 3.46Å |
| 82 | T | 90.6 | Very high | 92.8 | Very high | 55 Ų | 55 | 64.5 Ų | 64.5 | 34% | 0.337 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -0.3 | 176.8 | 63 | 0 | 0 | 0 | 0 | 113.9 | D79 S84 Q109 | D79-T82 WeakPolarHBondContact CB-OG1 3Å; D79-T82 PolarHBondContact O-N 3.19Å; D79-T82 PolarHBondContact OD1-N 2.93Å; D79-T82 WeakPolarHBondContact OD2-CB 3.09Å; D79-T82 WeakPolarHBondContact OD2-CG2 3.33Å; D79-T82 PolarHBondContact OD2-OG1 2.89Å; T82-S84 VanDerWaalsContact C-N 3.26Å; T82-S84 PolarHBondContact O-N 2.77Å; T82-S84 PolarHBondContact OG1-OG 3.32Å; T82-Q109 PolarHBondContact O-NE2 2.81Å |
| 83 | L | 94.6 | Very high | 92.7 | Very high | 46 Ų | 46 | 67.1 Ų | 67.1 | 24% | 0.241 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 43.9 | -174.7 | -58.7 | 175.1 | 0 | 0 | 0 | 111.9 | L20 L24 D79 Q109 A110 | L20-L83 HydrophobicContact CD2-CD2 4.24Å; L24-L83 HydrophobicContact CD1-CD2 4.49Å; D79-L83 WeakPolarHBondContact O-CA 3.3Å; D79-L83 PolarHBondContact O-N 2.84Å; L83-Q109 WeakPolarHBondContact O-CA 3.28Å; L83-A110 HydrophobicContact CB-CB 4.24Å; L83-A110 PolarHBondContact O-N 3.31Å |
| 84 | S | 94.7 | Very high | 92.8 | Very high | 8 Ų | 8 | 64.3 Ų | 64.3 | 6% | 0.056 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 154.1 | -175.5 | 73.7 | 0 | 0 | 0 | 0 | 113.8 | D79 T82 R107 V108 | D79-S84 PolarHBondContact N-O 2.83Å; D79-S84 PolarHBondContact O-N 3.25Å; T82-S84 VanDerWaalsContact C-N 3.26Å; T82-S84 PolarHBondContact O-N 2.77Å; T82-S84 PolarHBondContact OG1-OG 3.32Å; S84-R107 PolarHBondContact OG-NH2 3.08Å; S84-V108 CarbonylContact C-O 3.57Å; S84-V108 WeakPolarHBondContact CA-O 3.43Å; S84-V108 WeakPolarHBondContact CB-O 3.47Å |
| 85 | A | 94.9 | Very high | 92.9 | Very high | 11 Ų | 11 | 65.8 Ų | 65.8 | 9% | 0.091 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 150.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L78 R107 V108 | L78-A85 HydrophobicContact CD1-CB 4.13Å; A85-R107 WeakPolarHBondContact O-CA 3.44Å; A85-V108 PolarHBondContact N-O 3.17Å; A85-V108 PolarHBondContact O-N 3.46Å |
| 86 | T | 95.4 | Very high | 92.8 | Very high | 37 Ų | 37 | 66 Ų | 66 | 23% | 0.227 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 122 | -178.2 | -53.8 | 0 | 0 | 0 | 0 | 111.5 | S77 A105 F106 R107 | S77-T86 PolarHBondContact OG-N 2.89Å; S77-T86 PolarHBondContact OG-O 3.27Å; T86-A105 HydrophobicContact CG2-CB 4.05Å; T86-F106 WeakPolarHBondContact CA-O 3.46Å; T86-R107 HydrophobicContact CG2-CB 4.2Å |
| 87 | F | 93.9 | Very high | 93 | Very high | 80 Ų | 80 | 68.6 Ų | 68.6 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 103.4 | 170.6 | -59.5 | -98.1 | 0 | 0 | 0 | 108.2 | W71 I74 A105 F106 V108 | W71-F87 HydrophobicContact CE3-CB 3.97Å; W71-F87 HydrophobicContact CZ3-CB 4.35Å; W71-F87 WeakPolarHBondContact CZ3-O 3.43Å; I74-F87 HydrophobicContact CG2-CD1 3.5Å; I74-F87 HydrophobicContact CG2-CE1 3.28Å; I74-F87 HydrophobicContact CG2-CG 4.26Å; I74-F87 HydrophobicContact CG2-CZ 3.85Å; F87-A105 CarbonylContact O-C 3.54Å; F87-A105 VanDerWaalsContact O-CA 3.29Å; F87-A105 WeakPolarHBondContact O-CA 3.38Å; F87-F106 HydrophobicContact CB-CB 4.29Å; F87-F106 PolarHBondContact N-O 2.95Å; F87-F106 PolarHBondContact O-N 3.08Å; F87-V108 HydrophobicContact CE2-CG2 4.35Å |
| 88 | Q | 95.3 | Very high | 93.1 | Very high | 75 Ų | 75 | 67.4 Ų | 67.4 | 35% | 0.35 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.5 | 176.7 | -172.5 | 178.7 | 25.5 | 0 | 0 | 109.4 | W71 N72 S103 L104 A105 | W71-Q88 WeakPolarHBondContact CA-O 3.18Å; N72-Q88 PolarHBondContact N-O 3.1Å; N72-Q88 PolarHBondContact ND2-OE1 3.37Å; Q88-S103 PolarHBondContact NE2-OG 2.9Å; Q88-L104 WeakPolarHBondContact CA-O 3.21Å; Q88-A105 HydrophobicContact CB-CB 4.46Å; Q88-A105 HydrophobicContact CG-CB 4.42Å |
| 89 | G | 93.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 169.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | S70 S103 L104 | S70-G89 WeakPolarHBondContact O-CA 3.35Å; G89-S103 WeakPolarHBondContact O-CA 3.18Å; G89-L104 PolarHBondContact N-O 3.04Å; G89-L104 PolarHBondContact O-N 3.44Å |
| 90 | H | 94.4 | Very high | 93 | Very high | 80 Ų | 80 | 65 Ų | 65 | 37% | 0.37 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 159.4 | 176.7 | 58.3 | 80.5 | 0 | 0 | 0 | 109.4 | F69 S70 F99 | F69-H90 CarbonylContact C-O 3.57Å; F69-H90 VanDerWaalsContact CA-O 3.29Å; F69-H90 WeakPolarHBondContact CA-O 3.26Å; F69-H90 VanDerWaalsContact CD1-C 3.44Å; S70-H90 PolarHBondContact N-O 3.48Å; S70-H90 PolarHBondContact O-N 3.27Å; S70-H90 VanDerWaalsContact O-N 3.12Å; S70-H90 PolarHBondContact OG-CE1 3.1Å; S70-H90 PolarHBondContact OG-ND1 2.9Å; S70-H90 PolarHBondContact OG-NE2 3.47Å; S70-H90 PolarHBondContact OG-O 3.48Å; H90-F99 HydrophobicContact CB-CB 4.2Å; H90-F99 HydrophobicContact CB-CD1 4.45Å |
| 91 | P | 94.2 | Very high | 93.1 | Very high | 13 Ų | 13 | 68.4 Ų | 68.4 | 8% | 0.084 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 140.5 | 174.9 | -20.2 | 30.1 | 0 | 0 | 0 | 111.5 | Y64 F69 N93 D94 F99 | Y64-P91 HydrophobicContact CD1-CG 4.21Å; F69-P91 HydrophobicContact CD2-CB 4.41Å; F69-P91 HydrophobicContact CD2-CG 4.37Å; F69-P91 HydrophobicContact CE1-CG 4.31Å; F69-P91 HydrophobicContact CE2-CB 4.12Å; F69-P91 HydrophobicContact CE2-CG 3.68Å; F69-P91 HydrophobicContact CZ-CG 3.64Å; P91-N93 VanDerWaalsContact C-N 3.33Å; P91-D94 HydrophobicContact CB-CB 4.5Å; P91-F99 HydrophobicContact CG-CB 4.36Å; P91-F99 HydrophobicContact CG-CD1 4.47Å; P91-F99 HydrophobicContact CG-CD2 3.48Å; P91-F99 VanDerWaalsContact CG-CD2 3.48Å; P91-F99 HydrophobicContact CG-CE2 3.8Å; P91-F99 HydrophobicContact CG-CG 3.86Å; P91-F99 HydrophobicContact CG-CZ 4.43Å |
| 92 | M | 91.9 | Very high | 93.2 | Very high | 120 Ų | 120 | 64.4 Ų | 64.4 | 59% | 0.591 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -69.3 | -32.8 | 174.6 | -72.5 | -172.3 | -80.6 | 0 | 0 | 112.2 | D68 | D68-M92 VanDerWaalsContact C-CE 3.45Å; D68-M92 HydrophobicContact CB-CE 4.33Å; D68-M92 WeakPolarHBondContact O-CB 3.42Å; D68-M92 WeakPolarHBondContact O-CG 3.15Å; D68-M92 PolarHBondContact O-N 3.22Å |
| 93 | N | 91.5 | Very high | 93.5 | Very high | 136 Ų | 136 | 62.5 Ų | 62.5 | 73% | 0.727 | 34% | 0.335 | S | S | * | . | trans | -120.1 | 106.8 | 177.6 | -172.1 | 12.5 | 0 | 0 | 0 | 109.7 | P91 | P91-N93 VanDerWaalsContact C-N 3.33Š| ||
| 94 | D | 91.5 | Very high | 93.6 | Very high | 37 Ų | 37 | 60.3 Ų | 60.3 | 20% | 0.198 | 32% | 0.323 | C | S | . | . | trans | -129.6 | 72.6 | -178.1 | -177.5 | 23.8 | 0 | 0 | 0 | 110.9 | P91 T96 R97 T98 F99 | P91-D94 HydrophobicContact CB-CB 4.5Å; D94-T96 PolarHBondContact O-N 2.84Å; D94-T96 PolarHBondContact OD1-OG1 3.24Å; D94-R97 PolarHBondContact O-N 2.82Å; D94-R97 VanDerWaalsContact O-N 3.11Å; D94-R97 PolarHBondContact OD1-N 2.9Å; D94-R97 VanDerWaalsContact OD1-N 3.17Å; D94-R97 WeakPolarHBondContact OD2-CA 3.35Å; D94-T98 VanDerWaalsContact CG-N 3.31Å; D94-T98 PolarHBondContact OD1-N 3.48Å; D94-T98 PolarHBondContact OD2-N 3.26Å; D94-F99 WeakPolarHBondContact OD2-CA 3.41Å; D94-F99 PolarHBondContact OD2-N 2.84Å | ||
| 95 | P | 91.1 | Very high | 93.6 | Very high | 106 Ų | 106 | 60.5 Ų | 60.5 | 69% | 0.688 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -28.1 | -175.8 | 27.9 | -34.5 | 0 | 0 | 0 | 112.3 | R97 | P95-R97 VanDerWaalsContact C-N 3.27Š|
| 96 | T | 88.9 | Confident | 93.7 | Very high | 103 Ų | 103 | 60.8 Ų | 60.8 | 63% | 0.632 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -3.1 | 177.8 | 50.6 | 0 | 0 | 0 | 0 | 112.9 | D94 T98 | D94-T96 PolarHBondContact O-N 2.84Å; D94-T96 PolarHBondContact OD1-OG1 3.24Å; T96-T98 PolarHBondContact O-N 3.2Å; T96-T98 PolarHBondContact OG1-OG1 3.35Å |
| 97 | R | 91.7 | Very high | 93.7 | Very high | 192 Ų | 192 | 62 Ų | 62 | 73% | 0.725 | 33% | 0.325 | S | S | * | . | trans | 55.7 | 32 | -178.4 | -65.9 | -172.6 | 178.3 | -177 | -0.5 | 113 | D94 P95 F99 A100 | D94-R97 PolarHBondContact O-N 2.82Å; D94-R97 VanDerWaalsContact O-N 3.11Å; D94-R97 PolarHBondContact OD1-N 2.9Å; D94-R97 VanDerWaalsContact OD1-N 3.17Å; D94-R97 WeakPolarHBondContact OD2-CA 3.35Å; P95-R97 VanDerWaalsContact C-N 3.27Å; R97-F99 VanDerWaalsContact C-N 3.27Å; R97-F99 PolarHBondContact O-N 3.47Å; R97-A100 HydrophobicContact CB-CB 3.99Å; R97-A100 WeakPolarHBondContact O-CB 3.06Å; R97-A100 PolarHBondContact O-N 3.31Å | ||
| 98 | T | 92.4 | Very high | 93.7 | Very high | 11 Ų | 11 | 59.2 Ų | 59.2 | 7% | 0.067 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -37.3 | 178.7 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | Y64 D94 T96 A139 S140 | Y64-T98 WeakPolarHBondContact OH-CG2 3.45Å; D94-T98 VanDerWaalsContact CG-N 3.31Å; D94-T98 PolarHBondContact OD1-N 3.48Å; D94-T98 PolarHBondContact OD2-N 3.26Å; T96-T98 PolarHBondContact O-N 3.2Å; T96-T98 PolarHBondContact OG1-OG1 3.35Å; T98-A139 CarbonylContact O-C 3.52Å; T98-A139 WeakPolarHBondContact O-CA 3.19Å; T98-S140 WeakPolarHBondContact CG2-O 3.41Å; T98-S140 PolarHBondContact O-N 2.83Å |
| 99 | F | 95.4 | Very high | 93.7 | Very high | 11 Ų | 11 | 57.4 Ų | 57.4 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 17.9 | 180 | -76.3 | -99.5 | 0 | 0 | 0 | 112.9 | L41 Y64 F69 H90 P91 D94 R97 N101 G102 L136 A139 | L41-F99 HydrophobicContact CD2-CZ 3.84Å; Y64-F99 AromaticContact CD1-CE2 4Å; Y64-F99 HydrophobicContact CD1-CE2 4Å; Y64-F99 HydrophobicContact CE1-CD2 4.23Å; Y64-F99 AromaticContact CE1-CE2 3.6Å; Y64-F99 HydrophobicContact CE1-CE2 3.6Å; Y64-F99 HydrophobicContact CE2-CE2 4.33Å; Y64-F99 AromaticContact CZ-CE2 3.75Å; F69-F99 HydrophobicContact CE1-CE1 4.44Å; F69-F99 HydrophobicContact CZ-CE1 4.47Å; F69-F99 HydrophobicContact CZ-CZ 4.28Å; H90-F99 HydrophobicContact CB-CB 4.2Å; H90-F99 HydrophobicContact CB-CD1 4.45Å; P91-F99 HydrophobicContact CG-CB 4.36Å; P91-F99 HydrophobicContact CG-CD1 4.47Å; P91-F99 HydrophobicContact CG-CD2 3.48Å; P91-F99 VanDerWaalsContact CG-CD2 3.48Å; P91-F99 HydrophobicContact CG-CE2 3.8Å; P91-F99 HydrophobicContact CG-CG 3.86Å; P91-F99 HydrophobicContact CG-CZ 4.43Å; D94-F99 WeakPolarHBondContact OD2-CA 3.41Å; D94-F99 PolarHBondContact OD2-N 2.84Å; R97-F99 VanDerWaalsContact C-N 3.27Å; R97-F99 PolarHBondContact O-N 3.47Å; F99-N101 PolarHBondContact O-N 2.94Å; F99-G102 PolarHBondContact O-N 3.27Å; F99-L136 HydrophobicContact CE1-CD1 3.84Å; F99-L136 HydrophobicContact CZ-CD1 4.11Å; F99-A139 HydrophobicContact CD1-CB 3.99Å; F99-A139 HydrophobicContact CD2-CB 4.44Å; F99-A139 HydrophobicContact CE1-CB 3.76Å; F99-A139 HydrophobicContact CE2-CB 4.23Å; F99-A139 HydrophobicContact CG-CB 4.32Å; F99-A139 HydrophobicContact CZ-CB 3.89Å |
| 100 | A | 92.3 | Very high | 93.7 | Very high | 65 Ų | 65 | 57.8 Ų | 57.8 | 54% | 0.537 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -38 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R97 | R97-A100 HydrophobicContact CB-CB 3.99Å; R97-A100 WeakPolarHBondContact O-CB 3.06Å; R97-A100 PolarHBondContact O-N 3.31Å |
| 101 | N | 93.3 | Very high | 93.7 | Very high | 156 Ų | 156 | 55 Ų | 55 | 83% | 0.834 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | 18.9 | 171.2 | -66 | -24.3 | 0 | 0 | 0 | 111.5 | F99 | F99-N101 PolarHBondContact O-N 2.94Š|
| 102 | G | 95.4 | Very high | 93.6 | Very high | 9 Ų | 9 | 58.8 Ų | 58.8 | 9% | 0.093 | 32% | 0.323 | C | S | . | . | trans | -113.5 | 151.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F99 I137 G138 | F99-G102 PolarHBondContact O-N 3.27Å; G102-I137 CarbonylContact C-O 3.52Å; G102-I137 WeakPolarHBondContact CA-O 3.36Å; G102-G138 VanDerWaalsContact CA-C 3.45Å | ||
| 103 | S | 96.5 | Very high | 93.6 | Very high | 15 Ų | 15 | 61.5 Ų | 61.5 | 11% | 0.105 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 151.8 | 172.9 | 63.2 | 0 | 0 | 0 | 0 | 111.6 | Q88 G89 I137 | Q88-S103 PolarHBondContact NE2-OG 2.9Å; G89-S103 WeakPolarHBondContact O-CA 3.18Å; S103-I137 PolarHBondContact N-O 3.21Å; S103-I137 PolarHBondContact O-N 2.79Å |
| 104 | L | 96.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 127.7 | 165.1 | -178.9 | 65.8 | 0 | 0 | 0 | 107.9 | L66 F69 W71 Q88 G89 F106 V134 A135 L136 | L66-L104 HydrophobicContact CD1-CD2 4.34Å; L66-L104 HydrophobicContact CD2-CD2 3.43Å; L66-L104 VanDerWaalsContact CD2-CD2 3.43Å; F69-L104 HydrophobicContact CE1-CB 3.99Å; F69-L104 HydrophobicContact CE1-CD2 4.21Å; W71-L104 HydrophobicContact CH2-CD2 4.48Å; Q88-L104 WeakPolarHBondContact CA-O 3.21Å; G89-L104 PolarHBondContact N-O 3.04Å; G89-L104 PolarHBondContact O-N 3.44Å; L104-F106 HydrophobicContact CD2-CE2 3.69Å; L104-F106 HydrophobicContact CD2-CZ 3.83Å; L104-F106 HydrophobicContact CG-CE2 3.96Å; L104-F106 HydrophobicContact CG-CZ 4.22Å; L104-V134 HydrophobicContact CD1-CG1 3.84Å; L104-A135 CarbonylContact C-O 3.58Å; L104-A135 WeakPolarHBondContact CA-O 3.48Å; L104-L136 HydrophobicContact CB-CD1 4.48Å; L104-L136 HydrophobicContact CD1-CB 4.34Å; L104-L136 HydrophobicContact CD1-CD1 4.4Å |
| 105 | A | 96.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T86 F87 Q88 V134 A135 | T86-A105 HydrophobicContact CG2-CB 4.05Å; F87-A105 CarbonylContact O-C 3.54Å; F87-A105 VanDerWaalsContact O-CA 3.29Å; F87-A105 WeakPolarHBondContact O-CA 3.38Å; Q88-A105 HydrophobicContact CB-CB 4.46Å; Q88-A105 HydrophobicContact CG-CB 4.42Å; A105-V134 CarbonylContact O-C 3.51Å; A105-V134 WeakPolarHBondContact O-CA 3.41Å; A105-A135 HydrophobicContact CB-CB 4.49Å; A105-A135 PolarHBondContact N-O 3.38Å; A105-A135 PolarHBondContact O-N 2.91Å |
| 106 | F | 95.6 | Very high | 93.8 | Very high | 18 Ų | 18 | 56.6 Ų | 56.6 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 104.9 | 168.1 | -65.2 | -79.5 | 0 | 0 | 0 | 108.1 | T38 L66 W71 T86 F87 L104 L132 V134 | T38-F106 HydrophobicContact CG2-CE1 3.87Å; T38-F106 HydrophobicContact CG2-CZ 4.27Å; T38-F106 WeakPolarHBondContact OG1-CE1 3.28Å; T38-F106 VanDerWaalsContact OG1-CZ 3.3Å; T38-F106 WeakPolarHBondContact OG1-CZ 3.29Å; L66-F106 HydrophobicContact CD1-CE2 4.15Å; L66-F106 HydrophobicContact CD1-CZ 3.82Å; W71-F106 AromaticContact CH2-CD2 3.63Å; W71-F106 HydrophobicContact CH2-CD2 3.63Å; W71-F106 AromaticContact CH2-CE2 3.51Å; W71-F106 HydrophobicContact CH2-CE2 3.51Å; W71-F106 HydrophobicContact CZ2-CE2 4.34Å; W71-F106 AromaticContact CZ3-CD2 3.75Å; W71-F106 HydrophobicContact CZ3-CD2 3.75Å; W71-F106 HydrophobicContact CZ3-CE2 4.12Å; T86-F106 WeakPolarHBondContact CA-O 3.46Å; F87-F106 HydrophobicContact CB-CB 4.29Å; F87-F106 PolarHBondContact N-O 2.95Å; F87-F106 PolarHBondContact O-N 3.08Å; L104-F106 HydrophobicContact CD2-CE2 3.69Å; L104-F106 HydrophobicContact CD2-CZ 3.83Å; L104-F106 HydrophobicContact CG-CE2 3.96Å; L104-F106 HydrophobicContact CG-CZ 4.22Å; F106-L132 HydrophobicContact CB-CD1 4.12Å; F106-L132 HydrophobicContact CD1-CD1 4.13Å; F106-L132 HydrophobicContact CD1-CD2 4.41Å; F106-V134 HydrophobicContact CD1-CB 4.35Å; F106-V134 HydrophobicContact CD1-CG1 3.98Å; F106-V134 HydrophobicContact CD1-CG2 3.71Å; F106-V134 HydrophobicContact CE1-CB 4.28Å; F106-V134 HydrophobicContact CE1-CG1 3.61Å; F106-V134 HydrophobicContact CE1-CG2 3.71Å; F106-V134 HydrophobicContact CZ-CG1 4.22Å |
| 107 | R | 95.1 | Very high | 93.8 | Very high | 61 Ų | 61 | 53.1 Ų | 53.1 | 23% | 0.23 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121.9 | 175 | 178.7 | 173.6 | -177.9 | -85.3 | -9.4 | 109.4 | S84 A85 T86 L132 E133 | S84-R107 PolarHBondContact OG-NH2 3.08Å; A85-R107 WeakPolarHBondContact O-CA 3.44Å; T86-R107 HydrophobicContact CG2-CB 4.2Å; R107-L132 CarbonylContact O-C 3.35Å; R107-L132 WeakPolarHBondContact O-CA 3.4Å; R107-E133 HydrophobicContact CB-CB 4.27Å; R107-E133 PolarHBondContact N-O 2.83Å; R107-E133 PolarHBondContact O-N 3.01Å |
| 108 | V | 95 | Very high | 93.6 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.3 | 176.7 | 179.9 | 0 | 0 | 0 | 0 | 108.5 | F31 S84 A85 F87 Q131 L132 | F31-V108 HydrophobicContact CD2-CG2 4.48Å; F31-V108 HydrophobicContact CE2-CB 4.4Å; F31-V108 HydrophobicContact CE2-CG1 3.76Å; F31-V108 HydrophobicContact CE2-CG2 3.69Å; F31-V108 HydrophobicContact CZ-CG2 4Å; S84-V108 CarbonylContact C-O 3.57Å; S84-V108 WeakPolarHBondContact CA-O 3.43Å; S84-V108 WeakPolarHBondContact CB-O 3.47Å; A85-V108 PolarHBondContact N-O 3.17Å; A85-V108 PolarHBondContact O-N 3.46Å; F87-V108 HydrophobicContact CE2-CG2 4.35Å; V108-Q131 CarbonylContact C-O 3.6Å; V108-Q131 WeakPolarHBondContact CA-O 3.38Å; V108-L132 HydrophobicContact CG2-CD1 4Å |
| 109 | Q | 95.3 | Very high | 93.3 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 17% | 0.173 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 127.1 | 176.6 | -179 | 166 | 19.9 | 0 | 0 | 110.8 | T82 L83 F111 C130 Q131 | T82-Q109 PolarHBondContact O-NE2 2.81Å; L83-Q109 WeakPolarHBondContact O-CA 3.28Å; Q109-F111 HydrophobicContact CB-CZ 4.48Å; Q109-F111 HydrophobicContact CG-CE1 3.91Å; Q109-F111 HydrophobicContact CG-CZ 4.04Å; Q109-C130 CarbonylContact O-C 3.53Å; Q109-C130 VanDerWaalsContact O-CA 3.29Å; Q109-C130 WeakPolarHBondContact O-CA 2.9Å; Q109-Q131 PolarHBondContact N-O 3.06Å; Q109-Q131 PolarHBondContact O-N 3.33Å |
| 110 | A | 94.1 | Very high | 92.9 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 8% | 0.083 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 164.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F27 L83 | F27-A110 HydrophobicContact CB-CB 4.29Å; F27-A110 HydrophobicContact CG-CB 4.39Å; L83-A110 HydrophobicContact CB-CB 4.24Å; L83-A110 PolarHBondContact O-N 3.31Å |
| 111 | F | 92.9 | Very high | 92.9 | Very high | 22 Ų | 22 | 52 Ų | 52 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | trans | -132.5 | 144.8 | -179.3 | -53.5 | -76.3 | 0 | 0 | 0 | 111.4 | Q109 H125 A127 Q131 L269 | Q109-F111 HydrophobicContact CB-CZ 4.48Å; Q109-F111 HydrophobicContact CG-CE1 3.91Å; Q109-F111 HydrophobicContact CG-CZ 4.04Å; F111-H125 AromaticContact CD1-CD2 3.32Å; F111-H125 WeakPolarHBondContact CD1-CD2 3.16Å; F111-H125 AromaticContact CD1-CE1 3.64Å; F111-H125 AromaticContact CD1-CG 3.71Å; F111-H125 AromaticContact CD1-ND1 3.9Å; F111-H125 AromaticContact CD1-NE2 3.29Å; F111-H125 VanDerWaalsContact CD1-NE2 3.29Å; F111-H125 WeakPolarHBondContact CD1-NE2 3.39Å; F111-H125 HydrophobicContact CD2-CB 3.42Å; F111-H125 VanDerWaalsContact CD2-CB 3.42Å; F111-H125 AromaticContact CD2-CD2 3.71Å; F111-H125 AromaticContact CD2-CG 3.53Å; F111-H125 AromaticContact CE1-CD2 3.88Å; F111-H125 AromaticContact CE1-CE1 3.5Å; F111-H125 AromaticContact CE1-CG 3.84Å; F111-H125 AromaticContact CE1-ND1 3.62Å; F111-H125 AromaticContact CE1-NE2 3.69Å; F111-H125 HydrophobicContact CE2-CB 3.54Å; F111-H125 AromaticContact CE2-CG 3.66Å; F111-H125 AromaticContact CE2-ND1 3.95Å; F111-H125 HydrophobicContact CG-CB 3.93Å; F111-H125 AromaticContact CG-CD2 3.21Å; F111-H125 WeakPolarHBondContact CG-CD2 3.24Å; F111-H125 AromaticContact CG-CG 3.54Å; F111-H125 AromaticContact CG-NE2 3.74Å; F111-H125 HydrophobicContact CZ-CB 4.16Å; F111-H125 AromaticContact CZ-CG 3.81Å; F111-H125 AromaticContact CZ-ND1 3.64Å; F111-A127 WeakPolarHBondContact O-CA 3.46Å; F111-Q131 HydrophobicContact CE2-CB 3.7Å; F111-Q131 HydrophobicContact CZ-CB 3.77Å; F111-L269 HydrophobicContact CE2-CD2 4.27Å | ||
| 112 | S | 92.3 | Very high | 92.8 | Very high | 91 Ų | 91 | 48 Ų | 48 | 64% | 0.636 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -99.2 | -10.2 | 178 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 113 | R | 92.8 | Very high | 92.6 | Very high | 178 Ų | 178 | 47.8 Ų | 47.8 | 67% | 0.672 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -154.4 | 163.2 | -176.6 | 63.5 | 177.9 | -178.8 | -114.6 | 1 | 110.7 | H125 | R113-H125 PolarHBondContact O-CD2 2.83Š|
| 114 | S | 93.7 | Very high | 92.5 | Very high | 82 Ų | 82 | 48.9 Ų | 48.9 | 57% | 0.573 | 27% | 0.265 | S | S | * | . | trans | -74.2 | 129.8 | 173.9 | -48.4 | 0 | 0 | 0 | 0 | 111.8 | H125 | S114-H125 WeakPolarHBondContact CA-O 3.29Š| ||
| 115 | S | 92.6 | Very high | 92.4 | Very high | 48 Ų | 48 | 49.3 Ų | 49.3 | 34% | 0.336 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -168.3 | 177.6 | -178 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | H125 | S115-H125 VanDerWaalsContact C-CE1 3.44Å; S115-H125 VanDerWaalsContact CB-NE2 3.34Å; S115-H125 WeakPolarHBondContact CB-NE2 3.23Å; S115-H125 PolarHBondContact N-O 2.65Å; S115-H125 VanDerWaalsContact N-O 3.17Å; S115-H125 PolarHBondContact O-CD2 2.86Å; S115-H125 PolarHBondContact O-CE1 3.17Å; S115-H125 VanDerWaalsContact O-CE1 3.22Å; S115-H125 PolarHBondContact O-N 2.88Å; S115-H125 PolarHBondContact O-ND1 3.45Å; S115-H125 VanDerWaalsContact O-ND1 3.17Å; S115-H125 PolarHBondContact O-NE2 3.05Å |
| 116 | R | 91.1 | Very high | 92.3 | Very high | 46 Ų | 46 | 49.9 Ų | 49.9 | 17% | 0.174 | 27% | 0.27 | C | S | . | . | trans | -120.1 | 141.8 | 169.6 | -67.5 | -174.2 | -171.2 | -82.3 | -3.4 | 110.8 | R122 L124 Y174 D278 | R116-R122 PolarHBondContact NH1-O 3.08Å; R116-L124 HydrophobicContact CG-CD1 3.92Å; R116-Y174 VanDerWaalsContact CZ-CD2 3.5Å; R116-D278 IonicContact CZ-OD1 3.9Å; R116-D278 IonicContact NH1-OD1 2.74Å; R116-D278 PolarHBondContact NH1-OD1 2.82Å; R116-D278 IonicContact NH2-OD1 3.71Å; R116-D278 PolarHBondContact NH2-OD1 2.86Å | ||
| 117 | P | 89.8 | Confident | 92.1 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 19% | 0.188 | 28% | 0.28 | C | S | . | . | trans | -62.5 | 155.5 | 167.8 | -20.2 | 33 | 0 | 0 | 0 | 111.8 | Q119 R122 L123 | P117-Q119 VanDerWaalsContact C-N 3.34Å; P117-R122 WeakPolarHBondContact O-CG 3.32Å; P117-R122 PolarHBondContact O-NE 2.99Å; P117-R122 VanDerWaalsContact O-NE 3.09Å; P117-L123 WeakPolarHBondContact CD-O 3.47Å | ||
| 118 | A | 86.4 | Confident | 91.9 | Very high | 91 Ų | 91 | 52.6 Ų | 52.6 | 75% | 0.752 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -72.1 | -32.1 | 170 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 119 | Q | 86.5 | Confident | 91.8 | Very high | 116 Ų | 116 | 51.7 Ų | 51.7 | 54% | 0.542 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -86.6 | 140.3 | -176.6 | -66.6 | -177.6 | -4.8 | 0 | 0 | 111.8 | P117 R122 | P117-Q119 VanDerWaalsContact C-N 3.34Å; Q119-R122 VanDerWaalsContact O-CG 3.27Å; Q119-R122 WeakPolarHBondContact O-CG 3.03Å; Q119-R122 PolarHBondContact O-N 3.25Å; Q119-R122 VanDerWaalsContact O-N 3.14Å |
| 120 | P | 88.3 | Confident | 91.8 | Very high | 43 Ų | 43 | 50 Ų | 50 | 28% | 0.279 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 146.6 | 170.1 | -26.3 | 37.3 | 0 | 0 | 0 | 112.4 | Y201 G206 | P120-Y201 HydrophobicContact CB-CE1 4.21Å; P120-Y201 HydrophobicContact CB-CE2 3.93Å; P120-Y201 VanDerWaalsContact CB-OH 3.25Å; P120-Y201 WeakPolarHBondContact CB-OH 3.3Å; P120-G206 WeakPolarHBondContact CG-O 3.44Å |
| 121 | P | 90.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.032 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -86.6 | 17.1 | 7.4 | 32.5 | -32.9 | 0 | 0 | 0 | 115.7 | L123 R197 V199 Y201 | P121-L123 HydrophobicContact CG-CD1 4.21Å; P121-L123 HydrophobicContact CG-CG 4.12Å; P121-L123 PolarHBondContact O-N 2.97Å; P121-L123 VanDerWaalsContact O-N 3.1Å; P121-R197 HydrophobicContact CB-CB 4.29Å; P121-R197 HydrophobicContact CB-CG 4.41Å; P121-R197 PolarHBondContact O-NE 3.36Å; P121-V199 HydrophobicContact CB-CG1 4.12Å; P121-Y201 HydrophobicContact CB-CE2 4.35Å |
| 122 | R | 91.3 | Very high | 92 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 28% | 0.275 | 28% | 0.278 | S | S | . | . | trans | 46.4 | 42.3 | 175.6 | -48.9 | -177.1 | 71.2 | -168 | 2 | 114.5 | R116 P117 Q119 L124 Y174 | R116-R122 PolarHBondContact NH1-O 3.08Å; P117-R122 WeakPolarHBondContact O-CG 3.32Å; P117-R122 PolarHBondContact O-NE 2.99Å; P117-R122 VanDerWaalsContact O-NE 3.09Å; Q119-R122 VanDerWaalsContact O-CG 3.27Å; Q119-R122 WeakPolarHBondContact O-CG 3.03Å; Q119-R122 PolarHBondContact O-N 3.25Å; Q119-R122 VanDerWaalsContact O-N 3.14Å; R122-L124 PolarHBondContact O-N 2.8Å; R122-Y174 VanDerWaalsContact CB-O 3.3Å; R122-Y174 WeakPolarHBondContact CB-O 3.42Å; R122-Y174 WeakPolarHBondContact CD-O 3.36Å; R122-Y174 WeakPolarHBondContact CG-O 3.1Å | ||
| 123 | L | 92.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | trans | -56 | 134.6 | 176.3 | -68.8 | 167.3 | 0 | 0 | 0 | 110.4 | P117 P121 H125 L181 R197 L269 | P117-L123 WeakPolarHBondContact CD-O 3.47Å; P121-L123 HydrophobicContact CG-CD1 4.21Å; P121-L123 HydrophobicContact CG-CG 4.12Å; P121-L123 PolarHBondContact O-N 2.97Å; P121-L123 VanDerWaalsContact O-N 3.1Å; L123-H125 PolarHBondContact O-N 2.75Å; L123-L181 HydrophobicContact CD2-CD1 3.59Å; L123-R197 HydrophobicContact CD2-CG 3.89Å; L123-L269 HydrophobicContact CB-CD1 3.75Å; L123-L269 HydrophobicContact CB-CG 3.97Å; L123-L269 HydrophobicContact CD1-CG 4.07Å | ||
| 124 | L | 94 | Very high | 92.3 | Very high | 38 Ų | 38 | 38.4 Ų | 38.4 | 20% | 0.199 | 22% | 0.224 | C | C | . | . | trans | -71.2 | 117.2 | 175.1 | -176.5 | 64.8 | 0 | 0 | 0 | 108.7 | R116 R122 L269 P276 V277 | R116-L124 HydrophobicContact CG-CD1 3.92Å; R122-L124 PolarHBondContact O-N 2.8Å; L124-L269 WeakPolarHBondContact O-CD1 3.33Å; L124-P276 HydrophobicContact CB-CB 4.21Å; L124-P276 HydrophobicContact CD2-CB 4.09Å; L124-P276 HydrophobicContact CG-CB 4.1Å; L124-P276 VanDerWaalsContact O-CB 3.25Å; L124-P276 WeakPolarHBondContact O-CB 3.17Å; L124-P276 VanDerWaalsContact O-CG 3.29Å; L124-P276 WeakPolarHBondContact O-CG 3.36Å; L124-V277 WeakPolarHBondContact CD2-O 3.41Å | ||
| 125 | H | 93.8 | Very high | 92.5 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 5% | 0.046 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -105.8 | 160.4 | 175.1 | 53.9 | -100.3 | 0 | 0 | 0 | 111.1 | F111 R113 S114 S115 L123 T129 L269 | F111-H125 AromaticContact CD1-CD2 3.32Å; F111-H125 WeakPolarHBondContact CD1-CD2 3.16Å; F111-H125 AromaticContact CD1-CE1 3.64Å; F111-H125 AromaticContact CD1-CG 3.71Å; F111-H125 AromaticContact CD1-ND1 3.9Å; F111-H125 AromaticContact CD1-NE2 3.29Å; F111-H125 VanDerWaalsContact CD1-NE2 3.29Å; F111-H125 WeakPolarHBondContact CD1-NE2 3.39Å; F111-H125 HydrophobicContact CD2-CB 3.42Å; F111-H125 VanDerWaalsContact CD2-CB 3.42Å; F111-H125 AromaticContact CD2-CD2 3.71Å; F111-H125 AromaticContact CD2-CG 3.53Å; F111-H125 AromaticContact CE1-CD2 3.88Å; F111-H125 AromaticContact CE1-CE1 3.5Å; F111-H125 AromaticContact CE1-CG 3.84Å; F111-H125 AromaticContact CE1-ND1 3.62Å; F111-H125 AromaticContact CE1-NE2 3.69Å; F111-H125 HydrophobicContact CE2-CB 3.54Å; F111-H125 AromaticContact CE2-CG 3.66Å; F111-H125 AromaticContact CE2-ND1 3.95Å; F111-H125 HydrophobicContact CG-CB 3.93Å; F111-H125 AromaticContact CG-CD2 3.21Å; F111-H125 WeakPolarHBondContact CG-CD2 3.24Å; F111-H125 AromaticContact CG-CG 3.54Å; F111-H125 AromaticContact CG-NE2 3.74Å; F111-H125 HydrophobicContact CZ-CB 4.16Å; F111-H125 AromaticContact CZ-CG 3.81Å; F111-H125 AromaticContact CZ-ND1 3.64Å; R113-H125 PolarHBondContact O-CD2 2.83Å; S114-H125 WeakPolarHBondContact CA-O 3.29Å; S115-H125 VanDerWaalsContact C-CE1 3.44Å; S115-H125 VanDerWaalsContact CB-NE2 3.34Å; S115-H125 WeakPolarHBondContact CB-NE2 3.23Å; S115-H125 PolarHBondContact N-O 2.65Å; S115-H125 VanDerWaalsContact N-O 3.17Å; S115-H125 PolarHBondContact O-CD2 2.86Å; S115-H125 PolarHBondContact O-CE1 3.17Å; S115-H125 VanDerWaalsContact O-CE1 3.22Å; S115-H125 PolarHBondContact O-N 2.88Å; S115-H125 PolarHBondContact O-ND1 3.45Å; S115-H125 VanDerWaalsContact O-ND1 3.17Å; S115-H125 PolarHBondContact O-NE2 3.05Å; L123-H125 PolarHBondContact O-N 2.75Å; H125-T129 WeakPolarHBondContact CB-OG1 3.46Å; H125-L269 HydrophobicContact CB-CD2 4.13Å |
| 126 | T | 93.5 | Very high | 92.7 | Very high | 24 Ų | 24 | 32.8 Ų | 32.8 | 15% | 0.147 | 19% | 0.185 | C | C | . | . | trans | -127.9 | 176.5 | 170.7 | 67.4 | 0 | 0 | 0 | 0 | 109.7 | D128 T129 P276 | T126-D128 PolarHBondContact O-N 3Å; T126-D128 PolarHBondContact OG1-N 3.5Å; T126-T129 PolarHBondContact N-OG1 2.74Å; T126-T129 PolarHBondContact O-N 3.26Å; T126-T129 PolarHBondContact O-OG1 2.81Å; T126-P276 HydrophobicContact CG2-CB 4.32Å; T126-P276 HydrophobicContact CG2-CG 4.03Å | ||
| 127 | A | 92.4 | Very high | 93 | Very high | 36 Ų | 36 | 33.9 Ų | 33.9 | 30% | 0.298 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F111 T129 | F111-A127 WeakPolarHBondContact O-CA 3.46Å; A127-T129 VanDerWaalsContact C-N 3.3Å |
| 128 | D | 91.6 | Very high | 93.3 | Very high | 100 Ų | 100 | 33.6 Ų | 33.6 | 54% | 0.535 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 8.8 | -178.7 | -51.6 | -46.5 | 0 | 0 | 0 | 112.5 | T126 G271 V272 | T126-D128 PolarHBondContact O-N 3Å; T126-D128 PolarHBondContact OG1-N 3.5Å; D128-G271 WeakPolarHBondContact O-CA 2.92Å; D128-V272 PolarHBondContact O-N 2.87Å |
| 129 | T | 93.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 152.9 | -174.8 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | H125 T126 A127 F193 L270 P276 | H125-T129 WeakPolarHBondContact CB-OG1 3.46Å; T126-T129 PolarHBondContact N-OG1 2.74Å; T126-T129 PolarHBondContact O-N 3.26Å; T126-T129 PolarHBondContact O-OG1 2.81Å; A127-T129 VanDerWaalsContact C-N 3.3Å; T129-F193 HydrophobicContact CG2-CE2 3.92Å; T129-F193 HydrophobicContact CG2-CZ 3.62Å; T129-L270 CarbonylContact C-O 3.57Å; T129-L270 VanDerWaalsContact CA-O 3.26Å; T129-L270 WeakPolarHBondContact CA-O 3.08Å; T129-P276 HydrophobicContact CG2-CG 3.99Å |
| 130 | C | 94.5 | Very high | 94.2 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 143 | 164.6 | -69.2 | 0 | 0 | 0 | 0 | 108.9 | F27 Q109 L269 L270 | F27-C130 PolarHBondContact O-SG 3.33Å; Q109-C130 CarbonylContact O-C 3.53Å; Q109-C130 VanDerWaalsContact O-CA 3.29Å; Q109-C130 WeakPolarHBondContact O-CA 2.9Å; C130-L269 CarbonylContact O-C 3.58Å; C130-L269 WeakPolarHBondContact O-CA 3.34Å; C130-L270 PolarHBondContact N-O 3.42Å; C130-L270 PolarHBondContact O-N 3.34Å |
| 131 | Q | 95.3 | Very high | 94.5 | Very high | 17 Ų | 17 | 26.4 Ų | 26.4 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 130.1 | 172.4 | -172 | 173.4 | -39.3 | 0 | 0 | 109.9 | V108 Q109 F111 M268 L269 | V108-Q131 CarbonylContact C-O 3.6Å; V108-Q131 WeakPolarHBondContact CA-O 3.38Å; Q109-Q131 PolarHBondContact N-O 3.06Å; Q109-Q131 PolarHBondContact O-N 3.33Å; F111-Q131 HydrophobicContact CE2-CB 3.7Å; F111-Q131 HydrophobicContact CZ-CB 3.77Å; Q131-M268 CarbonylContact C-O 3.53Å; Q131-M268 WeakPolarHBondContact CA-O 3.22Å; Q131-L269 HydrophobicContact CB-CD2 3.76Å; Q131-L269 HydrophobicContact CG-CD2 4.15Å |
| 132 | L | 95.6 | Very high | 94.6 | Very high | 6 Ų | 6 | 30.2 Ų | 30.2 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.8 | 164.4 | -177.4 | 68.5 | 0 | 0 | 0 | 108.6 | F31 F106 R107 V108 V134 S267 M268 L270 | F31-L132 HydrophobicContact CE1-CB 4.35Å; F31-L132 HydrophobicContact CE1-CD1 4.1Å; F31-L132 HydrophobicContact CE1-CD2 4.03Å; F31-L132 HydrophobicContact CE1-CG 4.39Å; F31-L132 HydrophobicContact CZ-CB 3.98Å; F31-L132 HydrophobicContact CZ-CD1 3.87Å; F31-L132 HydrophobicContact CZ-CD2 4.44Å; F31-L132 HydrophobicContact CZ-CG 4.31Å; F106-L132 HydrophobicContact CB-CD1 4.12Å; F106-L132 HydrophobicContact CD1-CD1 4.13Å; F106-L132 HydrophobicContact CD1-CD2 4.41Å; R107-L132 CarbonylContact O-C 3.35Å; R107-L132 WeakPolarHBondContact O-CA 3.4Å; V108-L132 HydrophobicContact CG2-CD1 4Å; L132-V134 HydrophobicContact CD2-CG2 3.87Å; L132-V134 HydrophobicContact CG-CG2 4.02Å; L132-S267 CarbonylContact O-C 3.57Å; L132-S267 WeakPolarHBondContact O-CA 3.33Å; L132-M268 HydrophobicContact CB-CG 3.88Å; L132-M268 HydrophobicContact CD2-CE 3.79Å; L132-M268 HydrophobicContact CD2-CG 4.27Å; L132-M268 HydrophobicContact CD2-SD 4.25Å; L132-M268 PolarHBondContact N-O 2.54Å; L132-M268 PolarHBondContact O-N 2.8Å; L132-L270 HydrophobicContact CB-CD1 3.83Å |
| 133 | E | 95.6 | Very high | 94.5 | Very high | 28 Ų | 28 | 27.3 Ų | 27.3 | 13% | 0.131 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.9 | 164.8 | -178.9 | -176.8 | 178 | 0 | 0 | 108.6 | R107 S265 W266 | R107-E133 HydrophobicContact CB-CB 4.27Å; R107-E133 PolarHBondContact N-O 2.83Å; R107-E133 PolarHBondContact O-N 3.01Å; E133-S265 PolarHBondContact OE1-OG 3.05Å; E133-W266 CarbonylContact C-O 3.52Å; E133-W266 WeakPolarHBondContact CA-O 3.32Å |
| 134 | V | 96.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 124.3 | 175.2 | -168.4 | 0 | 0 | 0 | 0 | 108.5 | L104 A105 F106 L132 L150 S265 W266 | L104-V134 HydrophobicContact CD1-CG1 3.84Å; A105-V134 CarbonylContact O-C 3.51Å; A105-V134 WeakPolarHBondContact O-CA 3.41Å; F106-V134 HydrophobicContact CD1-CB 4.35Å; F106-V134 HydrophobicContact CD1-CG1 3.98Å; F106-V134 HydrophobicContact CD1-CG2 3.71Å; F106-V134 HydrophobicContact CE1-CB 4.28Å; F106-V134 HydrophobicContact CE1-CG1 3.61Å; F106-V134 HydrophobicContact CE1-CG2 3.71Å; F106-V134 HydrophobicContact CZ-CG1 4.22Å; L132-V134 HydrophobicContact CD2-CG2 3.87Å; L132-V134 HydrophobicContact CG-CG2 4.02Å; V134-L150 HydrophobicContact CB-CD1 4.12Å; V134-L150 HydrophobicContact CG1-CD1 3.74Å; V134-L150 HydrophobicContact CG2-CD1 4.12Å; V134-S265 CarbonylContact O-C 3.5Å; V134-S265 VanDerWaalsContact O-CA 3.3Å; V134-S265 WeakPolarHBondContact O-CA 3.2Å; V134-W266 HydrophobicContact CB-CE3 4.37Å; V134-W266 HydrophobicContact CG2-CE3 3.91Å; V134-W266 HydrophobicContact CG2-CZ3 4.18Å; V134-W266 PolarHBondContact N-O 2.81Å; V134-W266 PolarHBondContact O-N 2.82Å |
| 135 | A | 96.9 | Very high | 93.8 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L104 A105 I137 L264 | L104-A135 CarbonylContact C-O 3.58Å; L104-A135 WeakPolarHBondContact CA-O 3.48Å; A105-A135 HydrophobicContact CB-CB 4.49Å; A105-A135 PolarHBondContact N-O 3.38Å; A105-A135 PolarHBondContact O-N 2.91Å; A135-I137 HydrophobicContact CB-CD1 4.22Å; A135-I137 HydrophobicContact CB-CG1 4.21Å; A135-L264 CarbonylContact C-O 3.5Å; A135-L264 WeakPolarHBondContact CA-O 3.19Å |
| 136 | L | 97.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 123.1 | 167.3 | -179.5 | 68.2 | 0 | 0 | 0 | 108 | L41 F99 L104 A139 F148 Y258 Y263 L264 | L41-L136 HydrophobicContact CD1-CD2 4.45Å; L41-L136 HydrophobicContact CD2-CD1 4.08Å; L41-L136 HydrophobicContact CD2-CD2 4.39Å; F99-L136 HydrophobicContact CE1-CD1 3.84Å; F99-L136 HydrophobicContact CZ-CD1 4.11Å; L104-L136 HydrophobicContact CB-CD1 4.48Å; L104-L136 HydrophobicContact CD1-CB 4.34Å; L104-L136 HydrophobicContact CD1-CD1 4.4Å; L136-A139 HydrophobicContact CD1-CB 3.92Å; L136-A139 HydrophobicContact CG-CB 4.42Å; L136-F148 HydrophobicContact CD2-CB 4.38Å; L136-F148 HydrophobicContact CD2-CD1 3.51Å; L136-F148 HydrophobicContact CD2-CD2 4.07Å; L136-F148 HydrophobicContact CD2-CE1 3.69Å; L136-F148 HydrophobicContact CD2-CE2 4.26Å; L136-F148 HydrophobicContact CD2-CG 3.7Å; L136-F148 HydrophobicContact CD2-CZ 4.07Å; L136-Y258 HydrophobicContact CB-CE2 4.23Å; L136-Y258 HydrophobicContact CD2-CD2 4.29Å; L136-Y258 HydrophobicContact CD2-CE2 3.71Å; L136-Y258 HydrophobicContact CG-CE2 3.76Å; L136-Y263 CarbonylContact O-C 3.03Å; L136-Y263 WeakPolarHBondContact O-CA 3.39Å; L136-L264 HydrophobicContact CB-CB 4.32Å; L136-L264 PolarHBondContact N-O 3.15Å; L136-L264 PolarHBondContact O-N 2.85Å |
| 137 | I | 97.3 | Very high | 93.7 | Very high | 69 Ų | 69 | 36.6 Ų | 36.6 | 35% | 0.354 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 127 | -171.9 | -51.5 | 177.1 | 0 | 0 | 0 | 108.8 | G102 S103 A135 A139 H262 Y263 | G102-I137 CarbonylContact C-O 3.52Å; G102-I137 WeakPolarHBondContact CA-O 3.36Å; S103-I137 PolarHBondContact N-O 3.21Å; S103-I137 PolarHBondContact O-N 2.79Å; A135-I137 HydrophobicContact CB-CD1 4.22Å; A135-I137 HydrophobicContact CB-CG1 4.21Å; I137-A139 PolarHBondContact O-N 2.9Å; I137-A139 VanDerWaalsContact O-N 3.12Å; I137-H262 CarbonylContact C-O 3.41Å; I137-H262 WeakPolarHBondContact CA-O 3.29Å; I137-Y263 HydrophobicContact CD1-CD2 4.31Å; I137-Y263 HydrophobicContact CD1-CE2 4.01Å; I137-Y263 HydrophobicContact CG1-CD2 3.83Å; I137-Y263 HydrophobicContact CG1-CE2 3.94Å; I137-Y263 HydrophobicContact CG2-CD2 4.44Å |
| 138 | G | 96.3 | Very high | 93.9 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 25% | 0.247 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 72.1 | 0 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | G102 H262 | G102-G138 VanDerWaalsContact CA-C 3.45Å; G138-H262 PolarHBondContact N-O 3.49Å |
| 139 | A | 96.2 | Very high | 94 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -70 | 131.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | T98 F99 L136 I137 Y258 | T98-A139 CarbonylContact O-C 3.52Å; T98-A139 WeakPolarHBondContact O-CA 3.19Å; F99-A139 HydrophobicContact CD1-CB 3.99Å; F99-A139 HydrophobicContact CD2-CB 4.44Å; F99-A139 HydrophobicContact CE1-CB 3.76Å; F99-A139 HydrophobicContact CE2-CB 4.23Å; F99-A139 HydrophobicContact CG-CB 4.32Å; F99-A139 HydrophobicContact CZ-CB 3.89Å; L136-A139 HydrophobicContact CD1-CB 3.92Å; L136-A139 HydrophobicContact CG-CB 4.42Å; I137-A139 PolarHBondContact O-N 2.9Å; I137-A139 VanDerWaalsContact O-N 3.12Å; A139-Y258 WeakPolarHBondContact CA-OH 3.26Å; A139-Y258 WeakPolarHBondContact CB-OH 3.5Å; A139-Y258 PolarHBondContact N-OH 2.76Å; A139-Y258 VanDerWaalsContact O-CE1 3.23Å; A139-Y258 WeakPolarHBondContact O-CE1 3.23Å; A139-Y258 PolarHBondContact O-OH 2.79Å |
| 140 | S | 95.9 | Very high | 94.1 | Very high | 63 Ų | 63 | 30.4 Ų | 30.4 | 44% | 0.441 | 16% | 0.162 | S | C | . | . | P | Polyproline II helix | trans | -76.1 | 119 | -179.3 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | T98 | T98-S140 WeakPolarHBondContact CG2-O 3.41Å; T98-S140 PolarHBondContact O-N 2.83Å |
| 141 | P | 94.1 | Very high | 93.9 | Very high | 35 Ų | 35 | 31.9 Ų | 31.9 | 23% | 0.227 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 148.8 | 179.5 | 28.6 | -34.4 | 0 | 0 | 0 | 111.2 | E43 G143 F148 | E43-P141 WeakPolarHBondContact OE1-CA 3.43Å; P141-G143 VanDerWaalsContact C-N 3.34Å; P141-F148 HydrophobicContact CB-CE2 4.33Å; P141-F148 HydrophobicContact CB-CZ 4.28Å |
| 142 | R | 92.9 | Very high | 93.6 | Very high | 85 Ų | 85 | 31.1 Ų | 31.1 | 32% | 0.321 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -76.8 | -24.3 | 179.1 | -62.3 | 178.8 | -163.1 | 178.6 | 8.7 | 112.4 | E43 Y61 P62 Y64 | E43-R142 PolarHBondContact OE1-N 3.49Å; E43-R142 VanDerWaalsContact OE2-CD 3.29Å; E43-R142 WeakPolarHBondContact OE2-CD 3.3Å; E43-R142 WeakPolarHBondContact OE2-CG 3.43Å; E43-R142 IonicContact OE2-CZ 2.65Å; E43-R142 IonicContact OE2-NE 2.86Å; E43-R142 PolarHBondContact OE2-NE 2.79Å; Y61-R142 HydrophobicContact CD1-CB 4.1Å; Y61-R142 HydrophobicContact CD2-CB 4.46Å; Y61-R142 HydrophobicContact CE1-CB 3.91Å; Y61-R142 HydrophobicContact CE2-CB 4.29Å; Y61-R142 HydrophobicContact CG-CB 4.37Å; P62-R142 VanDerWaalsContact CD-NH1 3.34Å; P62-R142 VanDerWaalsContact O-CZ 3.24Å; P62-R142 PolarHBondContact O-NH1 2.88Å; P62-R142 PolarHBondContact O-NH2 3.43Å; Y64-R142 PolarHBondContact OH-NE 3.18Å; Y64-R142 PolarHBondContact OH-NH2 2.78Å |
| 143 | G | 88.4 | Confident | 93.1 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 12% | 0.124 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -129.5 | 162.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | P141 R145 S146 | P141-G143 VanDerWaalsContact C-N 3.34Å; G143-R145 VanDerWaalsContact C-N 3.29Å; G143-R145 PolarHBondContact O-N 3.14Å; G143-S146 VanDerWaalsContact C-OG 3.31Å; G143-S146 WeakPolarHBondContact CA-OG 3.34Å; G143-S146 PolarHBondContact N-OG 3.39Å; G143-S146 PolarHBondContact O-OG 3.48Å |
| 144 | N | 86.8 | Confident | 92.6 | Very high | 150 Ų | 150 | 29.5 Ų | 29.5 | 80% | 0.802 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -29 | -177.2 | -67.1 | -9.6 | 0 | 0 | 0 | 113.8 | ||
| 145 | R | 86.6 | Confident | 91.9 | Very high | 111 Ų | 111 | 30.3 Ų | 30.3 | 42% | 0.419 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | 60.9 | 177.7 | -64 | -165.2 | -179.6 | -172 | 4.4 | 110.6 | S46 T47 G143 S253 W259 | S46-R145 PolarHBondContact N-O 2.83Å; S46-R145 WeakPolarHBondContact OG-CB 3.18Å; S46-R145 PolarHBondContact OG-O 3.27Å; T47-R145 HydrophobicContact CG2-CB 4.16Å; T47-R145 HydrophobicContact CG2-CG 4.32Å; G143-R145 VanDerWaalsContact C-N 3.29Å; G143-R145 PolarHBondContact O-N 3.14Å; R145-S253 PolarHBondContact NH1-O 3.38Å; R145-S253 VanDerWaalsContact NH1-O 3.1Å; R145-W259 HydrophobicContact CB-CZ3 4.46Å |
| 146 | S | 91.6 | Very high | 91 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 124.6 | -178.5 | -58.3 | 0 | 0 | 0 | 0 | 111 | E43 F44 G143 | E43-S146 WeakPolarHBondContact OE1-CB 3.32Å; E43-S146 PolarHBondContact OE1-OG 3.35Å; F44-S146 CarbonylContact O-C 3.57Å; F44-S146 WeakPolarHBondContact O-CA 3.01Å; G143-S146 VanDerWaalsContact C-OG 3.31Å; G143-S146 WeakPolarHBondContact CA-OG 3.34Å; G143-S146 PolarHBondContact N-OG 3.39Å; G143-S146 PolarHBondContact O-OG 3.48Å |
| 147 | L | 93.6 | Very high | 89.8 | Confident | 7 Ų | 7 | 37.2 Ų | 37.2 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 130.4 | 169 | -63.6 | 178.5 | 0 | 0 | 0 | 108.7 | E43 F44 W259 | E43-L147 CarbonylContact C-O 3.58Å; E43-L147 VanDerWaalsContact CA-O 3.32Å; E43-L147 WeakPolarHBondContact CA-O 3.31Å; F44-L147 HydrophobicContact CB-CB 4.46Å; F44-L147 PolarHBondContact N-O 3.37Å; F44-L147 PolarHBondContact O-N 3.45Å; L147-W259 HydrophobicContact CD2-CH2 4.09Å; L147-W259 HydrophobicContact CD2-CZ3 3.86Å |
| 148 | F | 95.4 | Very high | 88.7 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.022 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 156.8 | 177.8 | -72.2 | -88.1 | 0 | 0 | 0 | 110.8 | L41 L42 E43 L136 P141 F250 Y258 L264 | L41-F148 HydrophobicContact CD1-CD1 4.21Å; L41-F148 HydrophobicContact CD2-CD1 4.41Å; L41-F148 HydrophobicContact CG-CD1 4.32Å; L42-F148 CarbonylContact O-C 3.5Å; L42-F148 WeakPolarHBondContact O-CA 3.45Å; E43-F148 HydrophobicContact CB-CD1 4.28Å; E43-F148 HydrophobicContact CB-CE1 4.16Å; E43-F148 HydrophobicContact CG-CD1 4.25Å; E43-F148 HydrophobicContact CG-CE1 3.84Å; E43-F148 HydrophobicContact CG-CZ 4.04Å; L136-F148 HydrophobicContact CD2-CB 4.38Å; L136-F148 HydrophobicContact CD2-CD1 3.51Å; L136-F148 HydrophobicContact CD2-CD2 4.07Å; L136-F148 HydrophobicContact CD2-CE1 3.69Å; L136-F148 HydrophobicContact CD2-CE2 4.26Å; L136-F148 HydrophobicContact CD2-CG 3.7Å; L136-F148 HydrophobicContact CD2-CZ 4.07Å; P141-F148 HydrophobicContact CB-CE2 4.33Å; P141-F148 HydrophobicContact CB-CZ 4.28Å; F148-F250 WeakPolarHBondContact O-CD2 3.2Å; F148-F250 PolarHBondContact O-N 2.92Å; F148-Y258 AromaticContact CD2-CD1 3.81Å; F148-Y258 HydrophobicContact CD2-CD1 3.81Å; F148-Y258 HydrophobicContact CD2-CD2 4.33Å; F148-Y258 HydrophobicContact CD2-CE1 4.36Å; F148-Y258 AromaticContact CD2-CG 3.75Å; F148-Y258 HydrophobicContact CD2-CG 3.75Å; F148-Y258 AromaticContact CE2-CD1 3.24Å; F148-Y258 HydrophobicContact CE2-CD1 3.24Å; F148-Y258 HydrophobicContact CE2-CD2 4.45Å; F148-Y258 AromaticContact CE2-CE1 3.58Å; F148-Y258 HydrophobicContact CE2-CE1 3.58Å; F148-Y258 AromaticContact CE2-CG 3.71Å; F148-Y258 HydrophobicContact CE2-CG 3.71Å; F148-Y258 HydrophobicContact CZ-CD1 4.13Å; F148-Y258 HydrophobicContact CZ-CE1 4.01Å; F148-L264 HydrophobicContact CB-CD2 3.96Å |
| 149 | G | 94.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 171.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L42 L248 | L42-G149 PolarHBondContact N-O 2.83Å; L42-G149 PolarHBondContact O-N 3.46Å; G149-L248 CarbonylContact C-O 3.59Å; G149-L248 VanDerWaalsContact C-O 3.3Å; G149-L248 WeakPolarHBondContact CA-O 3.46Å |
| 150 | L | 93.8 | Very high | 86.9 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.8 | 176.3 | -70 | 166.5 | 0 | 0 | 0 | 109.3 | Q40 L41 V134 V152 N247 L248 F250 | Q40-L150 WeakPolarHBondContact O-CA 3.48Å; L41-L150 HydrophobicContact CD1-CD2 4.09Å; V134-L150 HydrophobicContact CB-CD1 4.12Å; V134-L150 HydrophobicContact CG1-CD1 3.74Å; V134-L150 HydrophobicContact CG2-CD1 4.12Å; L150-V152 HydrophobicContact CB-CG2 4.45Å; L150-N247 WeakPolarHBondContact O-CA 3.44Å; L150-L248 PolarHBondContact N-O 3.13Å; L150-L248 PolarHBondContact O-N 3.1Å; L150-F250 HydrophobicContact CB-CE2 4.49Å; L150-F250 HydrophobicContact CD1-CE2 4.03Å; L150-F250 HydrophobicContact CD1-CZ 3.98Å; L150-F250 HydrophobicContact CG-CE2 4.04Å; L150-F250 HydrophobicContact CG-CZ 4.37Å |
| 151 | E | 90.2 | Very high | 86.5 | Confident | 33 Ų | 33 | 43.8 Ų | 43.8 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 118.8 | 163.4 | -177.3 | -177 | -121.6 | 0 | 0 | 108.3 | T38 R39 Q40 L42 | T38-E151 WeakPolarHBondContact CA-O 3.5Å; R39-E151 HydrophobicContact CB-CG 4.42Å; R39-E151 VanDerWaalsContact CB-OE2 3.25Å; R39-E151 WeakPolarHBondContact CB-OE2 2.89Å; R39-E151 PolarHBondContact N-O 3.23Å; Q40-E151 HydrophobicContact CB-CB 3.98Å; Q40-E151 HydrophobicContact CG-CB 4.5Å; Q40-E151 WeakPolarHBondContact CG-OE2 3.37Å; Q40-E151 PolarHBondContact NE2-OE2 2.96Å; Q40-E151 PolarHBondContact O-N 2.99Å; L42-E151 HydrophobicContact CD1-CB 4.46Å |
| 152 | V | 88.9 | Confident | 86 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.2 | 177 | -175 | 0 | 0 | 0 | 0 | 108.2 | E36 T38 L150 A245 F246 L248 | E36-V152 HydrophobicContact CG-CG1 3.7Å; E36-V152 WeakPolarHBondContact OE1-CG1 3.29Å; T38-V152 HydrophobicContact CG2-CG2 4.33Å; L150-V152 HydrophobicContact CB-CG2 4.45Å; V152-A245 VanDerWaalsContact O-CA 3.28Å; V152-A245 WeakPolarHBondContact O-CA 3.49Å; V152-F246 HydrophobicContact CB-CD1 4.25Å; V152-F246 HydrophobicContact CB-CE1 3.75Å; V152-F246 HydrophobicContact CB-CE2 4.11Å; V152-F246 HydrophobicContact CB-CZ 3.67Å; V152-F246 HydrophobicContact CG1-CE1 3.68Å; V152-F246 HydrophobicContact CG1-CZ 3.68Å; V152-F246 HydrophobicContact CG2-CE2 4.35Å; V152-F246 HydrophobicContact CG2-CZ 4.22Å; V152-F246 PolarHBondContact N-O 2.56Å; V152-F246 PolarHBondContact O-N 2.93Å; V152-F246 VanDerWaalsContact O-O 3.11Å; V152-L248 HydrophobicContact CG2-CD1 3.85Å; V152-L248 HydrophobicContact CG2-CG 4.38Å |
| 153 | A | 86.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 136.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E36 K37 R39 C244 A245 | E36-A153 CarbonylContact C-O 3.55Å; E36-A153 VanDerWaalsContact CA-O 3.28Å; E36-A153 WeakPolarHBondContact CA-O 3.21Å; K37-A153 PolarHBondContact N-O 2.68Å; K37-A153 PolarHBondContact O-N 2.73Å; R39-A153 HydrophobicContact CG-CB 4.39Å; A153-C244 CarbonylContact C-O 3.55Å; A153-C244 VanDerWaalsContact CA-O 3.24Å; A153-C244 WeakPolarHBondContact CA-O 3.25Å; A153-A245 HydrophobicContact CB-CB 4.15Å |
| 154 | T | 84.8 | Confident | 85.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 156.9 | -178.6 | 73.1 | 0 | 0 | 0 | 0 | 110.3 | E36 L184 W186 F243 C244 F246 | E36-T154 HydrophobicContact CB-CG2 4.29Å; E36-T154 HydrophobicContact CG-CG2 3.97Å; T154-L184 HydrophobicContact CG2-CD2 4.27Å; T154-W186 HydrophobicContact CG2-CH2 4.36Å; T154-W186 HydrophobicContact CG2-CZ2 3.43Å; T154-W186 VanDerWaalsContact CG2-CZ2 3.43Å; T154-W186 PolarHBondContact OG1-NE1 2.83Å; T154-F243 WeakPolarHBondContact O-CA 3.29Å; T154-C244 PolarHBondContact N-O 3.15Å; T154-C244 PolarHBondContact O-N 3.4Å; T154-F246 HydrophobicContact CG2-CE1 4.43Å |
| 155 | L | 82.3 | Confident | 85.8 | Confident | 23 Ų | 23 | 42 Ų | 42 | 12% | 0.12 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 126 | 173.8 | -171.1 | 70.2 | 0 | 0 | 0 | 109.5 | F237 Q240 F243 | L155-F237 HydrophobicContact CD2-CB 4.43Å; L155-F237 HydrophobicContact CD2-CD1 3.78Å; L155-F237 HydrophobicContact CD2-CD2 3.99Å; L155-F237 HydrophobicContact CD2-CE1 3.92Å; L155-F237 HydrophobicContact CD2-CE2 4.09Å; L155-F237 HydrophobicContact CD2-CG 3.82Å; L155-F237 HydrophobicContact CD2-CZ 4.07Å; L155-Q240 HydrophobicContact CD1-CB 3.73Å; L155-Q240 HydrophobicContact CD1-CG 3.88Å; L155-F243 HydrophobicContact CD1-CD1 4.27Å; L155-F243 HydrophobicContact CD1-CE1 3.93Å; L155-F243 HydrophobicContact CD1-CZ 4.26Å |
| 156 | G | 76.4 | Confident | 85.9 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 12% | 0.124 | 24% | 0.24 | C | C | . | . | trans | -79 | 143.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | N242 | G156-N242 PolarHBondContact N-O 3.35Š| ||
| 157 | Q | 72.6 | Confident | 85.7 | Confident | 146 Ų | 146 | 45.8 Ų | 45.8 | 68% | 0.682 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -85 | -14 | 174.2 | -65.3 | -172.3 | -0.8 | 0 | 0 | 113.1 | W186 | Q157-W186 PolarHBondContact NE2-O 3.19Å; Q157-W186 PolarHBondContact OE1-O 3.1Å |
| 158 | G | 73.8 | Confident | 85.2 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -154.2 | -167.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D160 | G158-D160 VanDerWaalsContact C-N 3.27Å; G158-D160 PolarHBondContact O-N 3.17Å |
| 159 | P | 73.4 | Confident | 84.5 | Confident | 109 Ų | 109 | 53.2 Ų | 53.2 | 71% | 0.708 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -69.2 | -27.5 | 177.6 | 28.5 | -33.8 | 0 | 0 | 0 | 112.5 | ||
| 160 | D | 83 | Confident | 83.8 | Confident | 130 Ų | 130 | 59 Ų | 59 | 70% | 0.695 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -97.2 | 148 | -179.2 | -60.5 | -44.9 | 0 | 0 | 0 | 111.5 | G158 | G158-D160 VanDerWaalsContact C-N 3.27Å; G158-D160 PolarHBondContact O-N 3.17Å |
| 161 | C | 85.7 | Confident | 83.2 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -84.6 | 147 | 175 | -69.4 | 0 | 0 | 0 | 0 | 111.9 | L219 C244 | C161-L219 HydrophobicContact CB-CB 3.94Å; C161-C244 WeakPolarHBondContact CA-SG 2.89Å; C161-C244 HydrophobicContact CB-CB 3.75Å; C161-C244 WeakPolarHBondContact CB-SG 3.34Å; C161-C244 VanDerWaalsContact SG-CA 3.52Å; C161-C244 WeakPolarHBondContact SG-CB 3.44Å; C161-C244 CovalentContact SG-SG 2.03Å; C161-C244 PolarHBondContact SG-SG 2.61Å |
| 162 | P | 85.3 | Confident | 82.7 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 16% | 0.162 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -62 | 145.6 | 175.2 | 22.8 | -28.8 | 0 | 0 | 0 | 110.9 | L184 L185 L219 | P162-L184 HydrophobicContact CB-CD1 4.05Å; P162-L184 HydrophobicContact CG-CD1 3.99Å; P162-L184 HydrophobicContact CG-CG 4.49Å; P162-L185 WeakPolarHBondContact CB-O 3.3Å; P162-L219 HydrophobicContact CG-CD2 3.92Å; P162-L219 WeakPolarHBondContact O-CD2 3.44Å |
| 163 | S | 83.4 | Confident | 82.4 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 59% | 0.594 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 137.5 | 172.3 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 164 | M | 88.8 | Confident | 82 | Confident | 51 Ų | 51 | 65 Ų | 65 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 140.2 | 168.8 | -164.9 | 145 | 56.5 | 0 | 0 | 110.3 | W196 A216 L219 | M164-W196 HydrophobicContact CG-CH2 4.45Å; M164-W196 HydrophobicContact CG-CZ2 4.49Å; M164-W196 HydrophobicContact SD-CH2 3.44Å; M164-W196 WeakPolarHBondContact SD-CH2 3.43Å; M164-W196 HydrophobicContact SD-CZ2 3.3Å; M164-W196 WeakPolarHBondContact SD-CZ2 3.36Å; M164-A216 HydrophobicContact CE-CB 3.33Å; M164-A216 HydrophobicContact SD-CB 3.98Å; M164-L219 HydrophobicContact CB-CD1 4.4Å |
| 165 | Q | 90.6 | Very high | 81.7 | Confident | 84 Ų | 84 | 65 Ų | 65 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 134.8 | 179.1 | -64.7 | -179.8 | -0.3 | 0 | 0 | 109.4 | Q183 | Q165-Q183 PolarHBondContact N-O 3.49Å; Q165-Q183 PolarHBondContact O-N 2.91Å |
| 166 | E | 89.9 | Confident | 81.5 | Confident | 127 Ų | 127 | 67 Ų | 67 | 59% | 0.593 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.9 | 174.4 | -59.7 | -179.2 | 172.8 | 0 | 0 | 108.7 | Q180 | E166-Q180 PolarHBondContact OE1-NE2 3.14Å |
| 167 | Q | 86.1 | Confident | 81.4 | Confident | 65 Ų | 65 | 68.9 Ų | 68.9 | 30% | 0.304 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.5 | 172 | -65.6 | -178.5 | 22.7 | 0 | 0 | 109.2 | Q180 L181 | Q167-Q180 CarbonylContact O-C 3.59Å; Q167-Q180 WeakPolarHBondContact O-CA 3.29Å; Q167-L181 HydrophobicContact CB-CB 4.41Å; Q167-L181 PolarHBondContact N-O 2.96Å; Q167-L181 PolarHBondContact O-N 3.29Å |
| 168 | H | 84.4 | Confident | 81.9 | Confident | 140 Ų | 140 | 62.9 Ų | 62.9 | 65% | 0.648 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135.7 | 174.9 | -69.1 | -73.1 | 0 | 0 | 0 | 110.9 | F179 | H168-F179 CarbonylContact C-O 3.48Å; H168-F179 WeakPolarHBondContact CA-O 3.33Å |
| 169 | S | 79.7 | Confident | 82.4 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 19% | 0.189 | 36% | 0.357 | C | S | . | . | trans | -114.6 | 147.9 | 170.6 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | D171 F179 | S169-D171 VanDerWaalsContact C-N 3.28Å; S169-D171 PolarHBondContact OG-N 2.79Å; S169-D171 VanDerWaalsContact OG-N 3.08Å; S169-D171 PolarHBondContact OG-O 2.77Å; S169-F179 PolarHBondContact N-O 3.03Å; S169-F179 WeakPolarHBondContact O-CB 3.32Å; S169-F179 VanDerWaalsContact O-CD1 3.32Å; S169-F179 WeakPolarHBondContact O-CD1 3.28Å | ||
| 170 | I | 79.8 | Confident | 83.1 | Confident | 122 Ų | 122 | 62.9 Ų | 62.9 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -84.4 | -7.6 | 170.3 | 61.4 | 167.7 | 0 | 0 | 0 | 112.7 | F179 L280 | I170-F179 WeakPolarHBondContact O-CE1 3.39Å; I170-L280 HydrophobicContact CD1-CD1 4.45Å; I170-L280 HydrophobicContact CD1-CD2 3.63Å; I170-L280 HydrophobicContact CG1-CD2 3.44Å; I170-L280 VanDerWaalsContact CG1-CD2 3.44Å |
| 171 | D | 80.7 | Confident | 83.5 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.027 | 30% | 0.303 | C | S | . | . | trans | -108.3 | 118.6 | -174 | -179.4 | 6.9 | 0 | 0 | 0 | 110.3 | S169 E173 L280 S281 V284 | S169-D171 VanDerWaalsContact C-N 3.28Å; S169-D171 PolarHBondContact OG-N 2.79Å; S169-D171 VanDerWaalsContact OG-N 3.08Å; S169-D171 PolarHBondContact OG-O 2.77Å; D171-E173 WeakPolarHBondContact OD1-CB 3.25Å; D171-E173 PolarHBondContact OD1-N 2.89Å; D171-L280 HydrophobicContact CB-CD2 4.33Å; D171-S281 WeakPolarHBondContact OD2-CA 3.4Å; D171-S281 WeakPolarHBondContact OD2-CB 3.34Å; D171-S281 PolarHBondContact OD2-N 3.03Å; D171-S281 PolarHBondContact OD2-OG 3.41Å; D171-V284 HydrophobicContact CB-CG2 4.24Å | ||
| 172 | D | 80.4 | Confident | 83.9 | Confident | 57 Ų | 57 | 56.1 Ų | 56.1 | 31% | 0.305 | 30% | 0.296 | S | S | . | . | trans | -107.6 | 10.2 | 175.9 | 71.2 | -30.3 | 0 | 0 | 0 | 113.5 | Y174 A175 P176 A177 F179 | D172-Y174 PolarHBondContact O-N 2.84Å; D172-Y174 VanDerWaalsContact O-N 3.1Å; D172-A175 CarbonylContact O-C 3.52Å; D172-A175 PolarHBondContact O-N 2.81Å; D172-P176 WeakPolarHBondContact O-CA 3.46Å; D172-P176 VanDerWaalsContact O-N 3.13Å; D172-A177 PolarHBondContact OD2-N 3.17Å; D172-F179 HydrophobicContact CB-CD1 3.96Å; D172-F179 HydrophobicContact CB-CE1 3.45Å; D172-F179 VanDerWaalsContact CB-CE1 3.45Å; D172-F179 HydrophobicContact CB-CE2 4.17Å; D172-F179 HydrophobicContact CB-CZ 3.56Å; D172-F179 VanDerWaalsContact CG-CZ 3.46Å | ||
| 173 | E | 82.8 | Confident | 84.3 | Confident | 70 Ų | 70 | 55.2 Ų | 55.2 | 33% | 0.327 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -34.8 | -179.3 | -177.7 | -178.9 | 148.5 | 0 | 0 | 111.9 | D171 S281 L283 | D171-E173 WeakPolarHBondContact OD1-CB 3.25Å; D171-E173 PolarHBondContact OD1-N 2.89Å; E173-S281 WeakPolarHBondContact OE2-CB 3.47Å; E173-S281 PolarHBondContact OE2-OG 2.88Å; E173-L283 VanDerWaalsContact OE2-CB 3.22Å; E173-L283 WeakPolarHBondContact OE2-CB 3.43Å |
| 174 | Y | 78.6 | Confident | 84.7 | Confident | 31 Ų | 31 | 51.1 Ų | 51.1 | 12% | 0.122 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -21.6 | -177.6 | -54.4 | -53.2 | 0 | 0 | 0 | 113.1 | R116 R122 D172 S281 | R116-Y174 VanDerWaalsContact CZ-CD2 3.5Å; R122-Y174 VanDerWaalsContact CB-O 3.3Å; R122-Y174 WeakPolarHBondContact CB-O 3.42Å; R122-Y174 WeakPolarHBondContact CD-O 3.36Å; R122-Y174 WeakPolarHBondContact CG-O 3.1Å; D172-Y174 PolarHBondContact O-N 2.84Å; D172-Y174 VanDerWaalsContact O-N 3.1Å; Y174-S281 WeakPolarHBondContact OH-CA 3.26Å; Y174-S281 VanDerWaalsContact OH-CB 3.23Å; Y174-S281 WeakPolarHBondContact OH-CB 3.19Å |
| 175 | A | 78.6 | Confident | 84.7 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -150.6 | 92.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | D172 A177 V178 | D172-A175 CarbonylContact O-C 3.52Å; D172-A175 PolarHBondContact O-N 2.81Å; A175-A177 PolarHBondContact O-N 3.42Å; A175-V178 HydrophobicContact CB-CB 3.95Å; A175-V178 WeakPolarHBondContact O-CB 3.45Å; A175-V178 PolarHBondContact O-N 3.22Å |
| 176 | P | 77.6 | Confident | 84.5 | Confident | 64 Ų | 64 | 46.8 Ų | 46.8 | 42% | 0.416 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | 132.8 | -171.7 | -29.4 | 35.3 | 0 | 0 | 0 | 112.8 | D172 V178 | D172-P176 WeakPolarHBondContact O-CA 3.46Å; D172-P176 VanDerWaalsContact O-N 3.13Å; P176-V178 PolarHBondContact O-N 3.5Å |
| 177 | A | 75.1 | Confident | 84.2 | Confident | 52 Ų | 52 | 41.9 Ų | 41.9 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 13.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D172 A175 | D172-A177 PolarHBondContact OD2-N 3.17Å; A175-A177 PolarHBondContact O-N 3.42Å |
| 178 | V | 82.6 | Confident | 84.2 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | trans | -118.2 | 94.2 | 176.7 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | A175 P176 Q180 R197 V199 | A175-V178 HydrophobicContact CB-CB 3.95Å; A175-V178 WeakPolarHBondContact O-CB 3.45Å; A175-V178 PolarHBondContact O-N 3.22Å; P176-V178 PolarHBondContact O-N 3.5Å; V178-Q180 VanDerWaalsContact C-N 3.34Å; V178-R197 HydrophobicContact CG1-CB 4.02Å; V178-R197 HydrophobicContact CG1-CG 4.37Å; V178-V199 HydrophobicContact CG1-CG1 4.43Å; V178-V199 HydrophobicContact CG2-CB 4.06Å; V178-V199 HydrophobicContact CG2-CG1 4.22Å; V178-V199 HydrophobicContact CG2-CG2 4.22Å | ||
| 179 | F | 83.3 | Confident | 84.3 | Confident | 89 Ų | 89 | 41 Ų | 41 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | trans | -93.6 | 12.7 | -177.2 | -64 | -80.4 | 0 | 0 | 0 | 113.6 | H168 S169 I170 D172 | H168-F179 CarbonylContact C-O 3.48Å; H168-F179 WeakPolarHBondContact CA-O 3.33Å; S169-F179 PolarHBondContact N-O 3.03Å; S169-F179 WeakPolarHBondContact O-CB 3.32Å; S169-F179 VanDerWaalsContact O-CD1 3.32Å; S169-F179 WeakPolarHBondContact O-CD1 3.28Å; I170-F179 WeakPolarHBondContact O-CE1 3.39Å; D172-F179 HydrophobicContact CB-CD1 3.96Å; D172-F179 HydrophobicContact CB-CE1 3.45Å; D172-F179 VanDerWaalsContact CB-CE1 3.45Å; D172-F179 HydrophobicContact CB-CE2 4.17Å; D172-F179 HydrophobicContact CB-CZ 3.56Å; D172-F179 VanDerWaalsContact CG-CZ 3.46Å | ||
| 180 | Q | 88.6 | Confident | 84.7 | Confident | 47 Ų | 47 | 44 Ų | 44 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146 | -175.1 | -177.8 | 171.2 | -14.7 | 0 | 0 | 110.9 | E166 Q167 V178 D182 R197 P198 | E166-Q180 PolarHBondContact OE1-NE2 3.14Å; Q167-Q180 CarbonylContact O-C 3.59Å; Q167-Q180 WeakPolarHBondContact O-CA 3.29Å; V178-Q180 VanDerWaalsContact C-N 3.34Å; Q180-D182 PolarHBondContact NE2-OD1 2.93Å; Q180-R197 PolarHBondContact O-NH1 3.04Å; Q180-P198 HydrophobicContact CB-CG 3.86Å; Q180-P198 HydrophobicContact CG-CG 3.89Å; Q180-P198 WeakPolarHBondContact O-CD 3.27Å |
| 181 | L | 92.1 | Very high | 85.1 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 118.1 | 170.1 | -173 | 78 | 0 | 0 | 0 | 107.7 | L123 Q167 W196 R197 | L123-L181 HydrophobicContact CD2-CD1 3.59Å; Q167-L181 HydrophobicContact CB-CB 4.41Å; Q167-L181 PolarHBondContact N-O 2.96Å; Q167-L181 PolarHBondContact O-N 3.29Å; L181-W196 WeakPolarHBondContact CD1-O 3.44Å; L181-R197 HydrophobicContact CD1-CG 3.9Å |
| 182 | D | 93.5 | Very high | 85.4 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 141.2 | 175 | -61.6 | -22.9 | 0 | 0 | 0 | 109.1 | Q180 Q195 W196 | Q180-D182 PolarHBondContact NE2-OD1 2.93Å; D182-Q195 VanDerWaalsContact O-CA 3.29Å; D182-Q195 WeakPolarHBondContact O-CA 3.48Å; D182-W196 HydrophobicContact CB-CD2 4.09Å; D182-W196 HydrophobicContact CB-CG 4.4Å; D182-W196 HydrophobicContact CB-CZ2 3.84Å; D182-W196 PolarHBondContact N-O 2.96Å; D182-W196 PolarHBondContact O-N 2.9Å; D182-W196 PolarHBondContact OD2-NE1 3.46Å |
| 183 | Q | 93.2 | Very high | 85.9 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 2% | 0.023 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 128.9 | -177.4 | -176.5 | 176.5 | -71.3 | 0 | 0 | 110.7 | Q165 L185 A194 Q195 | Q165-Q183 PolarHBondContact N-O 3.49Å; Q165-Q183 PolarHBondContact O-N 2.91Å; Q183-L185 HydrophobicContact CG-CD2 3.97Å; Q183-L185 HydrophobicContact CG-CG 4.18Å; Q183-A194 CarbonylContact C-O 3.5Å; Q183-A194 VanDerWaalsContact CA-O 3.32Å; Q183-A194 WeakPolarHBondContact CA-O 3.27Å; Q183-Q195 HydrophobicContact CB-CG 4.08Å; Q183-Q195 HydrophobicContact CG-CG 3.79Å |
| 184 | L | 91.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 123.3 | 169 | -172.5 | 65.1 | 0 | 0 | 0 | 109.4 | T154 P162 F193 A194 W196 L219 F246 | T154-L184 HydrophobicContact CG2-CD2 4.27Å; P162-L184 HydrophobicContact CB-CD1 4.05Å; P162-L184 HydrophobicContact CG-CD1 3.99Å; P162-L184 HydrophobicContact CG-CG 4.49Å; L184-F193 CarbonylContact O-C 3.57Å; L184-F193 WeakPolarHBondContact O-CA 3.44Å; L184-A194 HydrophobicContact CB-CB 4.35Å; L184-A194 PolarHBondContact N-O 2.89Å; L184-A194 PolarHBondContact O-N 2.88Å; L184-W196 HydrophobicContact CB-CH2 4.34Å; L184-W196 HydrophobicContact CB-CZ3 4.22Å; L184-L219 HydrophobicContact CD1-CD1 4.05Å; L184-L219 HydrophobicContact CD1-CD2 3.73Å; L184-L219 HydrophobicContact CD2-CD2 4.06Å; L184-F246 HydrophobicContact CD2-CE1 4.14Å |
| 185 | L | 90.3 | Very high | 87.2 | Confident | 24 Ų | 24 | 31.7 Ų | 31.7 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.5 | 175.2 | -64 | -177.6 | 0 | 0 | 0 | 109.5 | P162 Q183 G187 L189 F193 P275 | P162-L185 WeakPolarHBondContact CB-O 3.3Å; Q183-L185 HydrophobicContact CG-CD2 3.97Å; Q183-L185 HydrophobicContact CG-CG 4.18Å; L185-G187 VanDerWaalsContact C-N 3.28Å; L185-G187 PolarHBondContact O-N 2.9Å; L185-L189 HydrophobicContact CD2-CD2 4.03Å; L185-F193 HydrophobicContact CD2-CB 3.57Å; L185-P275 HydrophobicContact CD2-CG 4.36Å |
| 186 | W | 85.3 | Confident | 87.9 | Confident | 20 Ų | 20 | 31.7 Ų | 31.7 | 8% | 0.076 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -75.7 | -16 | 179.4 | -84.5 | -94.3 | 0 | 0 | 0 | 114.2 | L34 E36 T154 Q157 G192 A194 | L34-W186 HydrophobicContact CB-CH2 4.28Å; L34-W186 HydrophobicContact CB-CZ2 4.06Å; L34-W186 HydrophobicContact CD2-CD2 4.01Å; L34-W186 HydrophobicContact CD2-CE3 3.61Å; L34-W186 HydrophobicContact CD2-CH2 3.43Å; L34-W186 VanDerWaalsContact CD2-CH2 3.43Å; L34-W186 HydrophobicContact CD2-CZ2 3.88Å; L34-W186 HydrophobicContact CD2-CZ3 3.29Å; L34-W186 HydrophobicContact CG-CH2 4.5Å; E36-W186 HydrophobicContact CB-CZ2 4.42Å; E36-W186 WeakPolarHBondContact OE2-CH2 3.33Å; T154-W186 HydrophobicContact CG2-CH2 4.36Å; T154-W186 HydrophobicContact CG2-CZ2 3.43Å; T154-W186 VanDerWaalsContact CG2-CZ2 3.43Å; T154-W186 PolarHBondContact OG1-NE1 2.83Å; Q157-W186 PolarHBondContact NE2-O 3.19Å; Q157-W186 PolarHBondContact OE1-O 3.1Å; W186-G192 VanDerWaalsContact CE3-O 3.31Å; W186-G192 PolarHBondContact N-O 3.34Å; W186-G192 VanDerWaalsContact N-O 3.1Å; W186-A194 HydrophobicContact CH2-CB 3.97Å; W186-A194 HydrophobicContact CZ3-CB 3.8Å |
| 187 | G | 84.3 | Confident | 88.7 | Confident | 24 Ų | 24 | 28.8 Ų | 28.8 | 25% | 0.247 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -174.7 | -170.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L185 S191 | L185-G187 VanDerWaalsContact C-N 3.28Å; L185-G187 PolarHBondContact O-N 2.9Å; G187-S191 PolarHBondContact N-OG 3.1Å |
| 188 | S | 85.9 | Confident | 89.6 | Confident | 111 Ų | 111 | 27.6 Ų | 27.6 | 78% | 0.776 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -66.9 | 135.8 | 174.8 | 55.7 | 0 | 0 | 0 | 0 | 111.1 | P190 S191 | S188-P190 CarbonylContact O-C 3.59Å; S188-S191 WeakPolarHBondContact O-CB 3.39Å |
| 189 | L | 87.3 | Confident | 90.2 | Very high | 74 Ų | 74 | 27 Ų | 27 | 39% | 0.387 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -61.9 | 140.7 | 179.1 | -63.4 | 175 | 0 | 0 | 0 | 111.7 | L185 G273 F274 P275 | L185-L189 HydrophobicContact CD2-CD2 4.03Å; L189-G273 WeakPolarHBondContact CD2-O 3.33Å; L189-F274 HydrophobicContact CB-CD1 4.13Å; L189-F274 HydrophobicContact CB-CE1 3.9Å; L189-F274 HydrophobicContact CD1-CD1 4.09Å; L189-F274 HydrophobicContact CD1-CE1 4.45Å; L189-P275 HydrophobicContact CD1-CG 4.47Å; L189-P275 VanDerWaalsContact CD2-CD 3.49Å; L189-P275 HydrophobicContact CD2-CG 4.34Å |
| 190 | P | 87.9 | Confident | 90.8 | Very high | 91 Ų | 91 | 22.7 Ų | 22.7 | 59% | 0.591 | 14% | 0.142 | S | C | * | . | S | Bend | cis | -75.6 | 133.6 | -2.7 | 30.3 | -33.6 | 0 | 0 | 0 | 112.5 | S188 G273 F274 | S188-P190 CarbonylContact O-C 3.59Å; P190-G273 WeakPolarHBondContact CA-O 3.09Å; P190-F274 HydrophobicContact CB-CD2 4.43Å; P190-F274 HydrophobicContact CB-CE2 4.06Å; P190-F274 HydrophobicContact CB-CZ 4.42Å |
| 191 | S | 87.1 | Confident | 91.1 | Very high | 13 Ų | 13 | 21.1 Ų | 21.1 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 173.2 | -178.6 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | G187 S188 G273 | G187-S191 PolarHBondContact N-OG 3.1Å; S188-S191 WeakPolarHBondContact O-CB 3.39Å; S191-G273 PolarHBondContact N-O 2.74Å; S191-G273 PolarHBondContact O-N 2.97Å |
| 192 | G | 88.3 | Confident | 91.2 | Very high | 11 Ų | 11 | 20.6 Ų | 20.6 | 11% | 0.113 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 140.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | W186 G271 | W186-G192 VanDerWaalsContact CE3-O 3.31Å; W186-G192 PolarHBondContact N-O 3.34Å; W186-G192 VanDerWaalsContact N-O 3.1Å; G192-G271 WeakPolarHBondContact CA-O 3.43Å |
| 193 | F | 90.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 153.8 | 176.1 | 66.4 | -94.3 | 0 | 0 | 0 | 112 | T129 L184 L185 Q195 G271 P275 | T129-F193 HydrophobicContact CG2-CE2 3.92Å; T129-F193 HydrophobicContact CG2-CZ 3.62Å; L184-F193 CarbonylContact O-C 3.57Å; L184-F193 WeakPolarHBondContact O-CA 3.44Å; L185-F193 HydrophobicContact CD2-CB 3.57Å; F193-Q195 HydrophobicContact CD2-CG 4.25Å; F193-G271 PolarHBondContact N-O 2.81Å; F193-G271 PolarHBondContact O-N 2.97Å; F193-P275 HydrophobicContact CD1-CB 4.27Å; F193-P275 HydrophobicContact CD2-CB 3.82Å; F193-P275 HydrophobicContact CE1-CB 4.46Å; F193-P275 HydrophobicContact CE2-CB 4.04Å; F193-P275 HydrophobicContact CG-CB 3.95Å; F193-P275 HydrophobicContact CZ-CB 4.36Å |
| 194 | A | 93.4 | Very high | 91 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 139.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q183 L184 W186 W196 L269 | Q183-A194 CarbonylContact C-O 3.5Å; Q183-A194 VanDerWaalsContact CA-O 3.32Å; Q183-A194 WeakPolarHBondContact CA-O 3.27Å; L184-A194 HydrophobicContact CB-CB 4.35Å; L184-A194 PolarHBondContact N-O 2.89Å; L184-A194 PolarHBondContact O-N 2.88Å; W186-A194 HydrophobicContact CH2-CB 3.97Å; W186-A194 HydrophobicContact CZ3-CB 3.8Å; A194-W196 HydrophobicContact CB-CE3 4.49Å; A194-W196 HydrophobicContact CB-CZ3 4.13Å; A194-L269 CarbonylContact C-O 3.58Å; A194-L269 WeakPolarHBondContact CA-O 3.46Å |
| 195 | Q | 93.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 135 | -179.6 | -74.7 | -178.4 | -45.7 | 0 | 0 | 110.8 | D182 Q183 F193 M268 L269 P275 P276 | D182-Q195 VanDerWaalsContact O-CA 3.29Å; D182-Q195 WeakPolarHBondContact O-CA 3.48Å; Q183-Q195 HydrophobicContact CB-CG 4.08Å; Q183-Q195 HydrophobicContact CG-CG 3.79Å; F193-Q195 HydrophobicContact CD2-CG 4.25Å; Q195-M268 CarbonylContact O-C 3.55Å; Q195-M268 WeakPolarHBondContact O-CA 3.37Å; Q195-L269 HydrophobicContact CB-CB 4.45Å; Q195-L269 PolarHBondContact N-O 2.77Å; Q195-L269 PolarHBondContact O-N 2.88Å; Q195-P275 HydrophobicContact CG-CB 4.45Å; Q195-P276 PolarHBondContact NE2-O 2.86Å; Q195-P276 VanDerWaalsContact OE1-CD 3.26Å; Q195-P276 PolarHBondContact OE1-O 2.85Å |
| 196 | W | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 161.4 | 173.2 | 61.7 | 91.6 | 0 | 0 | 0 | 110.3 | M164 L181 D182 L184 A194 A216 F246 L248 W266 S267 M268 | M164-W196 HydrophobicContact CG-CH2 4.45Å; M164-W196 HydrophobicContact CG-CZ2 4.49Å; M164-W196 HydrophobicContact SD-CH2 3.44Å; M164-W196 WeakPolarHBondContact SD-CH2 3.43Å; M164-W196 HydrophobicContact SD-CZ2 3.3Å; M164-W196 WeakPolarHBondContact SD-CZ2 3.36Å; L181-W196 WeakPolarHBondContact CD1-O 3.44Å; D182-W196 HydrophobicContact CB-CD2 4.09Å; D182-W196 HydrophobicContact CB-CG 4.4Å; D182-W196 HydrophobicContact CB-CZ2 3.84Å; D182-W196 PolarHBondContact N-O 2.96Å; D182-W196 PolarHBondContact O-N 2.9Å; D182-W196 PolarHBondContact OD2-NE1 3.46Å; L184-W196 HydrophobicContact CB-CH2 4.34Å; L184-W196 HydrophobicContact CB-CZ3 4.22Å; A194-W196 HydrophobicContact CB-CE3 4.49Å; A194-W196 HydrophobicContact CB-CZ3 4.13Å; W196-A216 HydrophobicContact CZ2-CB 4.27Å; W196-F246 HydrophobicContact CH2-CE2 4.14Å; W196-F246 HydrophobicContact CH2-CZ 4.22Å; W196-F246 HydrophobicContact CZ2-CE2 4.36Å; W196-L248 HydrophobicContact CZ2-CD2 4.34Å; W196-W266 HydrophobicContact CB-CZ2 3.85Å; W196-W266 AromaticContact CD1-NE1 3.94Å; W196-W266 HydrophobicContact CD2-CZ2 4.06Å; W196-W266 AromaticContact CG-CZ2 3.69Å; W196-W266 HydrophobicContact CG-CZ2 3.69Å; W196-S267 WeakPolarHBondContact CB-O 3.3Å; W196-M268 HydrophobicContact CB-CB 3.9Å |
| 197 | R | 94.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | trans | -88.2 | 144.1 | 165 | -69.5 | -167.5 | -169.8 | -75.4 | -7.2 | 108.6 | P121 L123 V178 Q180 L181 V199 D278 | P121-R197 HydrophobicContact CB-CB 4.29Å; P121-R197 HydrophobicContact CB-CG 4.41Å; P121-R197 PolarHBondContact O-NE 3.36Å; L123-R197 HydrophobicContact CD2-CG 3.89Å; V178-R197 HydrophobicContact CG1-CB 4.02Å; V178-R197 HydrophobicContact CG1-CG 4.37Å; Q180-R197 PolarHBondContact O-NH1 3.04Å; L181-R197 HydrophobicContact CD1-CG 3.9Å; R197-V199 HydrophobicContact CB-CG1 3.79Å; R197-V199 PolarHBondContact O-N 2.93Å; R197-D278 IonicContact CZ-OD2 3.94Å; R197-D278 IonicContact NH1-OD2 3.2Å; R197-D278 IonicContact NH2-OD2 3.25Å; R197-D278 PolarHBondContact NH2-OD2 2.88Å | ||
| 198 | P | 94.3 | Very high | 90.2 | Very high | 26 Ų | 26 | 40.8 Ų | 40.8 | 17% | 0.169 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -74 | 51 | 178.4 | 31.3 | -35.9 | 0 | 0 | 0 | 111.9 | Q180 C214 | Q180-P198 HydrophobicContact CB-CG 3.86Å; Q180-P198 HydrophobicContact CG-CG 3.89Å; Q180-P198 WeakPolarHBondContact O-CD 3.27Å; P198-C214 VanDerWaalsContact C-CB 3.47Å; P198-C214 WeakPolarHBondContact CB-O 3.42Å; P198-C214 PolarHBondContact O-N 2.88Å |
| 199 | V | 94.5 | Very high | 90.4 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 137.5 | -177.9 | 68.8 | 0 | 0 | 0 | 0 | 110.8 | P121 V178 R197 Y201 A211 L212 | P121-V199 HydrophobicContact CB-CG1 4.12Å; V178-V199 HydrophobicContact CG1-CG1 4.43Å; V178-V199 HydrophobicContact CG2-CB 4.06Å; V178-V199 HydrophobicContact CG2-CG1 4.22Å; V178-V199 HydrophobicContact CG2-CG2 4.22Å; R197-V199 HydrophobicContact CB-CG1 3.79Å; R197-V199 PolarHBondContact O-N 2.93Å; V199-Y201 HydrophobicContact CG1-CE2 4.38Å; V199-Y201 HydrophobicContact CG2-CE1 4.3Å; V199-A211 HydrophobicContact CG2-CB 3.8Å; V199-L212 CarbonylContact C-O 3.51Å; V199-L212 VanDerWaalsContact CA-O 3.27Å; V199-L212 WeakPolarHBondContact CA-O 3.45Å |
| 200 | A | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 173.2 | 166 | 0 | 0 | 0 | 0 | 0 | 109.4 | A211 L212 F250 L264 S265 W266 | A200-A211 CarbonylContact O-C 3.49Å; A200-A211 WeakPolarHBondContact O-CA 3.43Å; A200-L212 HydrophobicContact CB-CB 4.25Å; A200-L212 PolarHBondContact N-O 2.95Å; A200-L212 PolarHBondContact O-N 3.23Å; A200-F250 HydrophobicContact CB-CB 4.2Å; A200-F250 HydrophobicContact CB-CD1 3.7Å; A200-F250 HydrophobicContact CB-CE1 4.47Å; A200-F250 HydrophobicContact CB-CG 4.22Å; A200-L264 HydrophobicContact CB-CD1 3.8Å; A200-S265 CarbonylContact C-O 3.41Å; A200-S265 VanDerWaalsContact CA-O 3.29Å; A200-S265 WeakPolarHBondContact CA-O 3.3Å; A200-S265 WeakPolarHBondContact CB-O 3.45Å; A200-W266 HydrophobicContact CB-CB 4.05Å |
| 201 | Y | 95.3 | Very high | 90.8 | Very high | 14 Ų | 14 | 35.4 Ų | 35.4 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 130.9 | -177.4 | -61.8 | -78.7 | 0 | 0 | 0 | 111.5 | P120 P121 V199 Q203 G207 S210 A211 L264 S265 | P120-Y201 HydrophobicContact CB-CE1 4.21Å; P120-Y201 HydrophobicContact CB-CE2 3.93Å; P120-Y201 VanDerWaalsContact CB-OH 3.25Å; P120-Y201 WeakPolarHBondContact CB-OH 3.3Å; P121-Y201 HydrophobicContact CB-CE2 4.35Å; V199-Y201 HydrophobicContact CG1-CE2 4.38Å; V199-Y201 HydrophobicContact CG2-CE1 4.3Å; Y201-Q203 VanDerWaalsContact C-N 3.34Å; Y201-G207 WeakPolarHBondContact CD1-O 3.15Å; Y201-G207 WeakPolarHBondContact CE1-O 3.45Å; Y201-S210 CarbonylContact C-O 3.53Å; Y201-S210 WeakPolarHBondContact CA-O 3.47Å; Y201-A211 HydrophobicContact CD1-CB 4.49Å; Y201-A211 HydrophobicContact CE1-CB 4.24Å; Y201-L264 CarbonylContact O-C 3.57Å; Y201-L264 VanDerWaalsContact O-CA 3.3Å; Y201-L264 WeakPolarHBondContact O-CA 3.48Å; Y201-S265 PolarHBondContact N-O 3.48Å; Y201-S265 PolarHBondContact O-N 3.27Å |
| 202 | S | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -85.8 | -1.4 | 177.4 | 62 | 0 | 0 | 0 | 0 | 114.4 | S210 G257 Y263 | S202-S210 PolarHBondContact N-O 2.94Å; S202-S210 PolarHBondContact OG-O 3.43Å; S202-G257 WeakPolarHBondContact CB-O 3.32Å; S202-Y263 CarbonylContact C-O 3.54Å; S202-Y263 VanDerWaalsContact CA-O 3.29Å; S202-Y263 WeakPolarHBondContact CA-O 3.29Å; S202-Y263 WeakPolarHBondContact O-CB 3.5Å |
| 203 | Q | 92.7 | Very high | 91.4 | Very high | 52 Ų | 52 | 37.1 Ų | 37.1 | 24% | 0.243 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -144.3 | 163.4 | -176.4 | -51.8 | -173.2 | 17.2 | 0 | 0 | 112 | Y201 P205 Q261 Y263 | Y201-Q203 VanDerWaalsContact C-N 3.34Å; Q203-P205 CarbonylContact O-C 3.59Å; Q203-Q261 VanDerWaalsContact CG-CD 3.43Å; Q203-Q261 HydrophobicContact CG-CG 4.13Å; Q203-Q261 VanDerWaalsContact OE1-NE2 3.07Å; Q203-Y263 WeakPolarHBondContact O-CE1 3.32Å |
| 204 | K | 88.1 | Confident | 91.5 | Very high | 136 Ų | 136 | 37.4 Ų | 37.4 | 59% | 0.591 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -124.7 | 126.4 | 173.4 | -167.7 | 172.4 | -172.1 | 162.1 | 0 | 110.7 | Y263 | K204-Y263 HydrophobicContact CB-CE1 4.17Å; K204-Y263 HydrophobicContact CB-CE2 4.15Å; K204-Y263 HydrophobicContact CD-CE2 4.37Å |
| 205 | P | 82.5 | Confident | 91.4 | Very high | 101 Ų | 101 | 41.7 Ų | 41.7 | 66% | 0.656 | 22% | 0.217 | S | C | * | . | S | Bend | cis | -67.2 | 152 | -2.8 | 30 | -34.8 | 0 | 0 | 0 | 112.4 | Q203 G207 | Q203-P205 CarbonylContact O-C 3.59Å; P205-G207 PolarHBondContact O-N 2.87Å |
| 206 | G | 81.9 | Confident | 91.3 | Very high | 21 Ų | 21 | 43 Ų | 43 | 22% | 0.216 | 23% | 0.228 | C | C | . | . | trans | -65.5 | 131.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P120 | P120-G206 WeakPolarHBondContact CG-O 3.44Š| ||
| 207 | G | 85.1 | Confident | 91.1 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 18% | 0.175 | 24% | 0.239 | C | C | . | . | trans | -135.9 | 176.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y201 P205 E209 S210 A211 | Y201-G207 WeakPolarHBondContact CD1-O 3.15Å; Y201-G207 WeakPolarHBondContact CE1-O 3.45Å; P205-G207 PolarHBondContact O-N 2.87Å; G207-E209 VanDerWaalsContact C-N 3.32Å; G207-S210 PolarHBondContact N-OG 3.49Å; G207-S210 PolarHBondContact O-N 3.15Å; G207-S210 PolarHBondContact O-OG 2.75Å; G207-A211 PolarHBondContact O-N 2.95Å | ||
| 208 | R | 86.8 | Confident | 90.8 | Very high | 177 Ų | 177 | 48.8 Ų | 48.8 | 67% | 0.668 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -68.3 | -36.5 | -179.2 | -179.7 | 178.6 | 173.1 | 179.3 | -0.3 | 111.4 | S210 A211 | R208-S210 VanDerWaalsContact C-N 3.27Å; R208-S210 PolarHBondContact O-N 2.98Å; R208-A211 WeakPolarHBondContact O-CB 3.42Å; R208-A211 PolarHBondContact O-N 3.44Å |
| 209 | E | 88.8 | Confident | 90.5 | Very high | 133 Ų | 133 | 48.6 Ų | 48.6 | 62% | 0.621 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.3 | 179.4 | 68.2 | -69.5 | 162.6 | 0 | 0 | 113.7 | G207 | G207-E209 VanDerWaalsContact C-N 3.32Š|
| 210 | S | 92.5 | Very high | 90 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 4.7 | 177 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | Y201 S202 G207 R208 L212 | Y201-S210 CarbonylContact C-O 3.53Å; Y201-S210 WeakPolarHBondContact CA-O 3.47Å; S202-S210 PolarHBondContact N-O 2.94Å; S202-S210 PolarHBondContact OG-O 3.43Å; G207-S210 PolarHBondContact N-OG 3.49Å; G207-S210 PolarHBondContact O-N 3.15Å; G207-S210 PolarHBondContact O-OG 2.75Å; R208-S210 VanDerWaalsContact C-N 3.27Å; R208-S210 PolarHBondContact O-N 2.98Å; S210-L212 PolarHBondContact O-N 2.88Å |
| 211 | A | 92.8 | Very high | 89.4 | Confident | 30 Ų | 30 | 56.5 Ų | 56.5 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 130.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V199 A200 Y201 G207 R208 P256 | V199-A211 HydrophobicContact CG2-CB 3.8Å; A200-A211 CarbonylContact O-C 3.49Å; A200-A211 WeakPolarHBondContact O-CA 3.43Å; Y201-A211 HydrophobicContact CD1-CB 4.49Å; Y201-A211 HydrophobicContact CE1-CB 4.24Å; G207-A211 PolarHBondContact O-N 2.95Å; R208-A211 WeakPolarHBondContact O-CB 3.42Å; R208-A211 PolarHBondContact O-N 3.44Å; A211-P256 WeakPolarHBondContact O-CG 3.41Å |
| 212 | L | 93.3 | Very high | 88.1 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 138.2 | 177.4 | -57.8 | 177.7 | 0 | 0 | 0 | 108.8 | V199 A200 S210 C214 P256 L264 | V199-L212 CarbonylContact C-O 3.51Å; V199-L212 VanDerWaalsContact CA-O 3.27Å; V199-L212 WeakPolarHBondContact CA-O 3.45Å; A200-L212 HydrophobicContact CB-CB 4.25Å; A200-L212 PolarHBondContact N-O 2.95Å; A200-L212 PolarHBondContact O-N 3.23Å; S210-L212 PolarHBondContact O-N 2.88Å; L212-C214 PolarHBondContact O-N 3.38Å; L212-P256 HydrophobicContact CD2-CB 3.94Å; L212-P256 HydrophobicContact CD2-CG 4Å; L212-P256 WeakPolarHBondContact CD2-O 3.49Å; L212-L264 HydrophobicContact CD1-CD1 3.6Å |
| 213 | P | 93.4 | Very high | 86.5 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 138.6 | 170.2 | 27.2 | -33.8 | 0 | 0 | 0 | 109.9 | F250 G251 A252 | P213-F250 WeakPolarHBondContact O-CA 2.97Å; P213-G251 PolarHBondContact O-N 2.82Å; P213-A252 HydrophobicContact CG-CB 4.14Å |
| 214 | C | 93.6 | Very high | 84.4 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 118.8 | 166.9 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | P198 L212 T249 F250 | P198-C214 VanDerWaalsContact C-CB 3.47Å; P198-C214 WeakPolarHBondContact CB-O 3.42Å; P198-C214 PolarHBondContact O-N 2.88Å; L212-C214 PolarHBondContact O-N 3.38Å; C214-T249 WeakPolarHBondContact CA-O 3.47Å; C214-F250 HydrophobicContact CB-CD1 4.02Å; C214-F250 HydrophobicContact CB-CE1 4.32Å; C214-F250 WeakPolarHBondContact SG-CE1 3.49Å |
| 215 | Q | 91.8 | Very high | 82.7 | Confident | 90 Ų | 90 | 66.2 Ų | 66.2 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132.1 | 177.1 | -63.3 | -177.5 | 7.8 | 0 | 0 | 109.3 | L248 T249 | Q215-L248 CarbonylContact O-C 3.52Å; Q215-L248 WeakPolarHBondContact O-CA 3.41Å; Q215-T249 PolarHBondContact N-O 3.44Å; Q215-T249 PolarHBondContact O-N 3.06Å; Q215-T249 PolarHBondContact O-OG1 3.35Å |
| 216 | A | 91.6 | Very high | 81.4 | Confident | 30 Ų | 30 | 67.4 Ų | 67.4 | 25% | 0.248 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 128.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | M164 W196 F246 N247 L248 | M164-A216 HydrophobicContact CE-CB 3.33Å; M164-A216 HydrophobicContact SD-CB 3.98Å; W196-A216 HydrophobicContact CZ2-CB 4.27Å; A216-F246 HydrophobicContact CB-CD2 4.48Å; A216-N247 CarbonylContact C-O 3.3Å; A216-N247 WeakPolarHBondContact CA-O 3.26Å; A216-L248 HydrophobicContact CB-CD2 3.59Å |
| 217 | S | 90.1 | Very high | 80.3 | Confident | 34 Ų | 34 | 68.2 Ų | 68.2 | 24% | 0.238 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 159.6 | 173.2 | 76.7 | 0 | 0 | 0 | 0 | 110.8 | N247 | S217-N247 PolarHBondContact N-O 3.42Å; S217-N247 PolarHBondContact OG-N 2.89Å |
| 218 | P | 88.1 | Confident | 79.1 | Confident | 92 Ų | 92 | 71.7 Ų | 71.7 | 60% | 0.597 | 40% | 0.396 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 148.1 | 166.7 | -22.1 | 33.4 | 0 | 0 | 0 | 111 | H220 | P218-H220 PolarHBondContact O-CD2 3.23Å; P218-H220 PolarHBondContact O-NE2 2.97Å |
| 219 | L | 86.8 | Confident | 78 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 12% | 0.12 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 134.8 | 174 | -80.3 | 78.7 | 0 | 0 | 0 | 109.6 | C161 P162 M164 L184 C244 A245 F246 | C161-L219 HydrophobicContact CB-CB 3.94Å; P162-L219 HydrophobicContact CG-CD2 3.92Å; P162-L219 WeakPolarHBondContact O-CD2 3.44Å; M164-L219 HydrophobicContact CB-CD1 4.4Å; L184-L219 HydrophobicContact CD1-CD1 4.05Å; L184-L219 HydrophobicContact CD1-CD2 3.73Å; L184-L219 HydrophobicContact CD2-CD2 4.06Å; L219-C244 HydrophobicContact CD2-CB 4.21Å; L219-A245 WeakPolarHBondContact CA-O 3.49Å; L219-F246 HydrophobicContact CD1-CB 4.12Å; L219-F246 HydrophobicContact CD1-CD1 4.1Å; L219-F246 HydrophobicContact CD1-CG 4.14Å; L219-F246 HydrophobicContact CD2-CD1 4.19Å; L219-F246 HydrophobicContact CG-CB 4.01Å; L219-F246 HydrophobicContact CG-CD1 3.84Å; L219-F246 HydrophobicContact CG-CG 4.18Å |
| 220 | H | 84.7 | Confident | 77.5 | Confident | 108 Ų | 108 | 60 Ų | 60 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 141.5 | 178.3 | -60.9 | -63.6 | 0 | 0 | 0 | 111 | P218 A222 A245 | P218-H220 PolarHBondContact O-CD2 3.23Å; P218-H220 PolarHBondContact O-NE2 2.97Å; H220-A222 PolarHBondContact O-N 3.08Å; H220-A245 PolarHBondContact N-O 2.97Å; H220-A245 PolarHBondContact O-N 3.15Å |
| 221 | P | 82.9 | Confident | 77 | Confident | 63 Ų | 63 | 64.8 Ų | 64.8 | 41% | 0.409 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 123.7 | 169.7 | -21.5 | 32.3 | 0 | 0 | 0 | 109.8 | L223 | P221-L223 HydrophobicContact CB-CD1 4.16Å; P221-L223 PolarHBondContact O-N 2.92Å; P221-L223 VanDerWaalsContact O-N 3.08Å |
| 222 | A | 68.9 | Low | 76.5 | Confident | 12 Ų | 12 | 69 Ų | 69 | 10% | 0.099 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -80.6 | 15.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | H220 A224 Y225 L227 F243 A245 | H220-A222 PolarHBondContact O-N 3.08Å; A222-A224 PolarHBondContact O-N 2.88Å; A222-Y225 PolarHBondContact O-N 2.92Å; A222-L227 HydrophobicContact CB-CD1 3.72Å; A222-L227 HydrophobicContact CB-CD2 4.37Å; A222-L227 HydrophobicContact CB-CG 4.43Å; A222-F243 HydrophobicContact CB-CB 4.05Å; A222-F243 PolarHBondContact N-O 3.07Å; A222-A245 HydrophobicContact CB-CB 4.28Å |
| 223 | L | 60.3 | Low | 75.9 | Confident | 126 Ų | 126 | 69.3 Ų | 69.3 | 66% | 0.66 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -54 | -19.6 | 178.1 | -79.6 | 157.4 | 0 | 0 | 0 | 113.7 | P221 | P221-L223 HydrophobicContact CB-CD1 4.16Å; P221-L223 PolarHBondContact O-N 2.92Å; P221-L223 VanDerWaalsContact O-N 3.08Å |
| 224 | A | 48.8 | Very low | 75.5 | Confident | 80 Ų | 80 | 73.1 Ų | 73.1 | 66% | 0.661 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -78.8 | -12 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A222 | A222-A224 PolarHBondContact O-N 2.88Š|
| 225 | Y | 52.7 | Low | 75 | Confident | 188 Ų | 188 | 77 Ų | 77 | 74% | 0.737 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -131.8 | 139.4 | -177.4 | -63.6 | -79.9 | 0 | 0 | 0 | 111.3 | A222 L227 | A222-Y225 PolarHBondContact O-N 2.92Å; Y225-L227 VanDerWaalsContact C-N 3.26Å; Y225-L227 WeakPolarHBondContact O-CG 3.3Å; Y225-L227 PolarHBondContact O-N 3.04Å |
| 226 | S | 54.7 | Low | 74.6 | Confident | 126 Ų | 126 | 78.8 Ų | 78.8 | 88% | 0.881 | 45% | 0.447 | S | S | * | . | trans | -66.1 | 87 | 169.7 | 54.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 227 | L | 59.9 | Low | 74.1 | Confident | 39 Ų | 39 | 80 Ų | 80 | 20% | 0.204 | 45% | 0.447 | C | S | . | . | trans | -65.7 | 132.8 | -176.5 | -63.9 | 172.8 | 0 | 0 | 0 | 110.7 | A222 Y225 Q229 F243 | A222-L227 HydrophobicContact CB-CD1 3.72Å; A222-L227 HydrophobicContact CB-CD2 4.37Å; A222-L227 HydrophobicContact CB-CG 4.43Å; Y225-L227 VanDerWaalsContact C-N 3.26Å; Y225-L227 WeakPolarHBondContact O-CG 3.3Å; Y225-L227 PolarHBondContact O-N 3.04Å; L227-Q229 PolarHBondContact O-N 3.4Å; L227-F243 HydrophobicContact CD1-CB 3.87Å; L227-F243 HydrophobicContact CD1-CD2 3.59Å; L227-F243 HydrophobicContact CD1-CE2 4.4Å; L227-F243 HydrophobicContact CD1-CG 3.94Å | ||
| 228 | P | 58 | Low | 73.8 | Confident | 90 Ų | 90 | 80 Ų | 80 | 58% | 0.584 | 45% | 0.452 | S | S | * | . | trans | -60.5 | 103.6 | 167.4 | -18.2 | 29.8 | 0 | 0 | 0 | 108.9 | S230 | P228-S230 PolarHBondContact O-N 2.94Š| ||
| 229 | Q | 64.4 | Low | 73.5 | Confident | 51 Ų | 51 | 79.8 Ų | 79.8 | 24% | 0.238 | 45% | 0.453 | C | S | . | . | trans | -63.1 | 121.9 | -178 | -77.2 | -168.3 | -19.6 | 0 | 0 | 109.4 | L227 P231 S239 Q240 | L227-Q229 PolarHBondContact O-N 3.4Å; Q229-P231 WeakPolarHBondContact O-CD 3.21Å; Q229-S239 PolarHBondContact NE2-OG 3.49Å; Q229-Q240 PolarHBondContact NE2-O 2.82Å | ||
| 230 | S | 77.8 | Confident | 73 | Confident | 13 Ų | 13 | 81.8 Ų | 81.8 | 9% | 0.091 | 46% | 0.461 | C | S | . | . | trans | -62.4 | 125.9 | 174.8 | -164.4 | 0 | 0 | 0 | 0 | 109.8 | K37 P228 I232 V233 R234 | K37-S230 WeakPolarHBondContact CD-OG 3.48Å; K37-S230 VanDerWaalsContact NZ-CB 3.26Å; K37-S230 PolarHBondContact NZ-OG 3.14Å; K37-S230 VanDerWaalsContact NZ-OG 3.08Å; P228-S230 PolarHBondContact O-N 2.94Å; S230-I232 PolarHBondContact O-N 3.09Å; S230-V233 PolarHBondContact O-N 2.8Å; S230-R234 WeakPolarHBondContact O-CB 3.4Å; S230-R234 PolarHBondContact O-N 2.77Å | ||
| 231 | P | 81.9 | Confident | 72.6 | Confident | 100 Ų | 100 | 81.7 Ų | 81.7 | 65% | 0.649 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -56.7 | -36.2 | 176 | -25.9 | 34.7 | 0 | 0 | 0 | 112.4 | Q229 R234 A235 | Q229-P231 WeakPolarHBondContact O-CD 3.21Å; P231-R234 PolarHBondContact O-N 2.93Å; P231-A235 VanDerWaalsContact O-CB 3.23Å; P231-A235 WeakPolarHBondContact O-CB 3.36Å; P231-A235 PolarHBondContact O-N 2.92Å |
| 232 | I | 83.7 | Confident | 72.5 | Confident | 120 Ų | 120 | 82.1 Ų | 82.1 | 62% | 0.615 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.3 | -49.2 | 178.1 | -60.2 | 174.4 | 0 | 0 | 0 | 110.9 | S230 R234 A235 F236 | S230-I232 PolarHBondContact O-N 3.09Å; I232-R234 VanDerWaalsContact C-N 3.33Å; I232-R234 PolarHBondContact O-N 2.8Å; I232-A235 PolarHBondContact O-N 2.85Å; I232-F236 PolarHBondContact O-N 2.76Å; I232-F236 VanDerWaalsContact O-N 3.13Å |
| 233 | V | 80.1 | Confident | 73.2 | Confident | 8 Ų | 8 | 82.1 Ų | 82.1 | 5% | 0.048 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 178.8 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | S230 A235 F236 F237 F243 | S230-V233 PolarHBondContact O-N 2.8Å; V233-A235 VanDerWaalsContact C-N 3.34Å; V233-A235 PolarHBondContact O-N 2.8Å; V233-F236 PolarHBondContact O-N 2.98Å; V233-F237 HydrophobicContact CG1-CD2 3.95Å; V233-F237 WeakPolarHBondContact O-CB 3.27Å; V233-F237 PolarHBondContact O-N 3.23Å; V233-F243 HydrophobicContact CG1-CE1 4.11Å; V233-F243 HydrophobicContact CG1-CZ 4.05Å |
| 234 | R | 84.1 | Confident | 74.4 | Confident | 136 Ų | 136 | 76.3 Ų | 76.3 | 51% | 0.513 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 177 | -171.5 | -171.5 | -74 | 165.6 | -6.1 | 112.1 | S230 P231 I232 F236 G238 | S230-R234 WeakPolarHBondContact O-CB 3.4Å; S230-R234 PolarHBondContact O-N 2.77Å; P231-R234 PolarHBondContact O-N 2.93Å; I232-R234 VanDerWaalsContact C-N 3.33Å; I232-R234 PolarHBondContact O-N 2.8Å; R234-F236 VanDerWaalsContact C-N 3.31Å; R234-F236 PolarHBondContact O-N 2.92Å; R234-G238 WeakPolarHBondContact CA-O 3.47Å; R234-G238 WeakPolarHBondContact O-CA 3.47Å; R234-G238 PolarHBondContact O-N 3.3Å |
| 235 | A | 83.8 | Confident | 76.2 | Confident | 89 Ų | 89 | 73.2 Ų | 73.2 | 74% | 0.736 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.4 | -35.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | P231 I232 V233 | P231-A235 VanDerWaalsContact O-CB 3.23Å; P231-A235 WeakPolarHBondContact O-CB 3.36Å; P231-A235 PolarHBondContact O-N 2.92Å; I232-A235 PolarHBondContact O-N 2.85Å; V233-A235 VanDerWaalsContact C-N 3.34Å; V233-A235 PolarHBondContact O-N 2.8Å |
| 236 | F | 84.1 | Confident | 77.9 | Confident | 126 Ų | 126 | 64.4 Ų | 64.4 | 55% | 0.553 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -87.3 | -46 | -179.2 | -165.5 | -87.6 | 0 | 0 | 0 | 113.3 | L33 I232 V233 R234 | L33-F236 HydrophobicContact CD2-CE1 3.7Å; L33-F236 HydrophobicContact CD2-CE2 4.03Å; L33-F236 HydrophobicContact CD2-CZ 3.27Å; L33-F236 HydrophobicContact CG-CZ 4.25Å; I232-F236 PolarHBondContact O-N 2.76Å; I232-F236 VanDerWaalsContact O-N 3.13Å; V233-F236 PolarHBondContact O-N 2.98Å; R234-F236 VanDerWaalsContact C-N 3.31Å; R234-F236 PolarHBondContact O-N 2.92Å |
| 237 | F | 80.2 | Confident | 79.7 | Confident | 57 Ų | 57 | 61 Ų | 61 | 25% | 0.25 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -106.5 | -3.4 | -172.2 | -62.7 | -76.1 | 0 | 0 | 0 | 114.7 | G32 L33 L155 V233 Q240 | G32-F237 WeakPolarHBondContact O-CE2 3.3Å; L33-F237 WeakPolarHBondContact O-CZ 3.44Å; L155-F237 HydrophobicContact CD2-CB 4.43Å; L155-F237 HydrophobicContact CD2-CD1 3.78Å; L155-F237 HydrophobicContact CD2-CD2 3.99Å; L155-F237 HydrophobicContact CD2-CE1 3.92Å; L155-F237 HydrophobicContact CD2-CE2 4.09Å; L155-F237 HydrophobicContact CD2-CG 3.82Å; L155-F237 HydrophobicContact CD2-CZ 4.07Å; V233-F237 HydrophobicContact CG1-CD2 3.95Å; V233-F237 WeakPolarHBondContact O-CB 3.27Å; V233-F237 PolarHBondContact O-N 3.23Å; F237-Q240 HydrophobicContact CB-CG 3.78Å; F237-Q240 PolarHBondContact O-NE2 3.41Å |
| 238 | G | 83.4 | Confident | 81.3 | Confident | 34 Ų | 34 | 59.1 Ų | 59.1 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | trans | 72.2 | -162.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113 | R234 Q240 | R234-G238 WeakPolarHBondContact CA-O 3.47Å; R234-G238 WeakPolarHBondContact O-CA 3.47Å; R234-G238 PolarHBondContact O-N 3.3Å; G238-Q240 PolarHBondContact O-N 2.87Å | ||
| 239 | S | 81.4 | Confident | 83 | Confident | 87 Ų | 87 | 55.2 Ų | 55.2 | 61% | 0.608 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -73.4 | 114 | 177.3 | -169.2 | 0 | 0 | 0 | 0 | 110 | Q229 | Q229-S239 PolarHBondContact NE2-OG 3.49Š|
| 240 | Q | 76.9 | Confident | 84.4 | Confident | 64 Ų | 64 | 53.2 Ų | 53.2 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | trans | -117.4 | 144 | 178.5 | -64.3 | -60.8 | -25.6 | 0 | 0 | 110.1 | L155 Q229 F237 G238 F243 | L155-Q240 HydrophobicContact CD1-CB 3.73Å; L155-Q240 HydrophobicContact CD1-CG 3.88Å; Q229-Q240 PolarHBondContact NE2-O 2.82Å; F237-Q240 HydrophobicContact CB-CG 3.78Å; F237-Q240 PolarHBondContact O-NE2 3.41Å; G238-Q240 PolarHBondContact O-N 2.87Å; Q240-F243 HydrophobicContact CB-CE2 4.25Å; Q240-F243 HydrophobicContact CB-CZ 4.17Å; Q240-F243 VanDerWaalsContact O-CE2 3.3Å; Q240-F243 WeakPolarHBondContact O-CE2 3.39Å | ||
| 241 | N | 76.9 | Confident | 85.1 | Confident | 107 Ų | 107 | 52.7 Ų | 52.7 | 57% | 0.572 | 30% | 0.295 | S | S | * | . | trans | -119.2 | -11.8 | 177.1 | -66.9 | -13.5 | 0 | 0 | 0 | 112.6 | F243 | N241-F243 PolarHBondContact O-N 3.45Š| ||
| 242 | N | 80.9 | Confident | 85.4 | Confident | 71 Ų | 71 | 49.4 Ų | 49.4 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | trans | -92.9 | 82.6 | -175 | -62.8 | -6.6 | 0 | 0 | 0 | 109.6 | G156 | G156-N242 PolarHBondContact N-O 3.35Š| ||
| 243 | F | 83.3 | Confident | 85.3 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 6% | 0.057 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 144.1 | 173.4 | -67.3 | -81.4 | 0 | 0 | 0 | 110.6 | R39 T154 L155 A222 L227 V233 Q240 N241 | R39-F243 VanDerWaalsContact NH2-CD1 3.26Å; T154-F243 WeakPolarHBondContact O-CA 3.29Å; L155-F243 HydrophobicContact CD1-CD1 4.27Å; L155-F243 HydrophobicContact CD1-CE1 3.93Å; L155-F243 HydrophobicContact CD1-CZ 4.26Å; A222-F243 HydrophobicContact CB-CB 4.05Å; A222-F243 PolarHBondContact N-O 3.07Å; L227-F243 HydrophobicContact CD1-CB 3.87Å; L227-F243 HydrophobicContact CD1-CD2 3.59Å; L227-F243 HydrophobicContact CD1-CE2 4.4Å; L227-F243 HydrophobicContact CD1-CG 3.94Å; V233-F243 HydrophobicContact CG1-CE1 4.11Å; V233-F243 HydrophobicContact CG1-CZ 4.05Å; Q240-F243 HydrophobicContact CB-CE2 4.25Å; Q240-F243 HydrophobicContact CB-CZ 4.17Å; Q240-F243 VanDerWaalsContact O-CE2 3.3Å; Q240-F243 WeakPolarHBondContact O-CE2 3.39Å; N241-F243 PolarHBondContact O-N 3.45Å |
| 244 | C | 85.9 | Confident | 85.5 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.1 | 171.1 | -68.8 | 0 | 0 | 0 | 0 | 108.5 | A153 T154 C161 L219 | A153-C244 CarbonylContact C-O 3.55Å; A153-C244 VanDerWaalsContact CA-O 3.24Å; A153-C244 WeakPolarHBondContact CA-O 3.25Å; T154-C244 PolarHBondContact N-O 3.15Å; T154-C244 PolarHBondContact O-N 3.4Å; C161-C244 WeakPolarHBondContact CA-SG 2.89Å; C161-C244 HydrophobicContact CB-CB 3.75Å; C161-C244 WeakPolarHBondContact CB-SG 3.34Å; C161-C244 VanDerWaalsContact SG-CA 3.52Å; C161-C244 WeakPolarHBondContact SG-CB 3.44Å; C161-C244 CovalentContact SG-SG 2.03Å; C161-C244 PolarHBondContact SG-SG 2.61Å; L219-C244 HydrophobicContact CD2-CB 4.21Å |
| 245 | A | 86.5 | Confident | 85.6 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 12% | 0.116 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 146.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111 | V152 A153 L219 H220 A222 | V152-A245 VanDerWaalsContact O-CA 3.28Å; V152-A245 WeakPolarHBondContact O-CA 3.49Å; A153-A245 HydrophobicContact CB-CB 4.15Å; L219-A245 WeakPolarHBondContact CA-O 3.49Å; H220-A245 PolarHBondContact N-O 2.97Å; H220-A245 PolarHBondContact O-N 3.15Å; A222-A245 HydrophobicContact CB-CB 4.28Å |
| 246 | F | 88.8 | Confident | 85.9 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 1% | 0.013 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 157 | 170.9 | 64.1 | -77.2 | 0 | 0 | 0 | 109.6 | V152 T154 L184 W196 A216 L219 L248 | V152-F246 HydrophobicContact CB-CD1 4.25Å; V152-F246 HydrophobicContact CB-CE1 3.75Å; V152-F246 HydrophobicContact CB-CE2 4.11Å; V152-F246 HydrophobicContact CB-CZ 3.67Å; V152-F246 HydrophobicContact CG1-CE1 3.68Å; V152-F246 HydrophobicContact CG1-CZ 3.68Å; V152-F246 HydrophobicContact CG2-CE2 4.35Å; V152-F246 HydrophobicContact CG2-CZ 4.22Å; V152-F246 PolarHBondContact N-O 2.56Å; V152-F246 PolarHBondContact O-N 2.93Å; V152-F246 VanDerWaalsContact O-O 3.11Å; T154-F246 HydrophobicContact CG2-CE1 4.43Å; L184-F246 HydrophobicContact CD2-CE1 4.14Å; W196-F246 HydrophobicContact CH2-CE2 4.14Å; W196-F246 HydrophobicContact CH2-CZ 4.22Å; W196-F246 HydrophobicContact CZ2-CE2 4.36Å; A216-F246 HydrophobicContact CB-CD2 4.48Å; L219-F246 HydrophobicContact CD1-CB 4.12Å; L219-F246 HydrophobicContact CD1-CD1 4.1Å; L219-F246 HydrophobicContact CD1-CG 4.14Å; L219-F246 HydrophobicContact CD2-CD1 4.19Å; L219-F246 HydrophobicContact CG-CB 4.01Å; L219-F246 HydrophobicContact CG-CD1 3.84Å; L219-F246 HydrophobicContact CG-CG 4.18Å; F246-L248 HydrophobicContact CD2-CD2 4.23Å; F246-L248 HydrophobicContact CD2-CG 4.17Å; F246-L248 HydrophobicContact CE2-CD1 4.12Å; F246-L248 HydrophobicContact CE2-CD2 3.87Å; F246-L248 HydrophobicContact CE2-CG 3.78Å |
| 247 | N | 91.4 | Very high | 86.2 | Confident | 54 Ų | 54 | 35.3 Ų | 35.3 | 29% | 0.289 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.8 | 179.1 | -65.7 | -21.9 | 0 | 0 | 0 | 109.2 | L42 L150 A216 S217 | L42-N247 HydrophobicContact CD1-CB 4.04Å; L150-N247 WeakPolarHBondContact O-CA 3.44Å; A216-N247 CarbonylContact C-O 3.3Å; A216-N247 WeakPolarHBondContact CA-O 3.26Å; S217-N247 PolarHBondContact N-O 3.42Å; S217-N247 PolarHBondContact OG-N 2.89Å |
| 248 | L | 93.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 133.8 | 165.5 | -66.5 | 170.7 | 0 | 0 | 0 | 108.3 | G149 L150 V152 W196 Q215 A216 F246 F250 W266 | G149-L248 CarbonylContact C-O 3.59Å; G149-L248 VanDerWaalsContact C-O 3.3Å; G149-L248 WeakPolarHBondContact CA-O 3.46Å; L150-L248 PolarHBondContact N-O 3.13Å; L150-L248 PolarHBondContact O-N 3.1Å; V152-L248 HydrophobicContact CG2-CD1 3.85Å; V152-L248 HydrophobicContact CG2-CG 4.38Å; W196-L248 HydrophobicContact CZ2-CD2 4.34Å; Q215-L248 CarbonylContact O-C 3.52Å; Q215-L248 WeakPolarHBondContact O-CA 3.41Å; A216-L248 HydrophobicContact CB-CD2 3.59Å; F246-L248 HydrophobicContact CD2-CD2 4.23Å; F246-L248 HydrophobicContact CD2-CG 4.17Å; F246-L248 HydrophobicContact CE2-CD1 4.12Å; F246-L248 HydrophobicContact CE2-CD2 3.87Å; F246-L248 HydrophobicContact CE2-CG 3.78Å; L248-F250 HydrophobicContact CB-CE1 4.18Å; L248-F250 HydrophobicContact CB-CZ 3.87Å; L248-W266 HydrophobicContact CD1-CE3 4.43Å; L248-W266 HydrophobicContact CD1-CH2 3.2Å; L248-W266 HydrophobicContact CD1-CZ2 3.44Å; L248-W266 VanDerWaalsContact CD1-CZ2 3.44Å; L248-W266 HydrophobicContact CD1-CZ3 3.79Å |
| 249 | T | 94.1 | Very high | 87.3 | Confident | 9 Ų | 9 | 34.2 Ų | 34.2 | 6% | 0.055 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.4 | 178.2 | 54.9 | 0 | 0 | 0 | 0 | 110.1 | F44 L57 C214 Q215 | F44-T249 HydrophobicContact CE2-CG2 3.87Å; F44-T249 HydrophobicContact CZ-CG2 4.49Å; L57-T249 HydrophobicContact CD1-CG2 3.52Å; L57-T249 WeakPolarHBondContact CD1-OG1 3.35Å; C214-T249 WeakPolarHBondContact CA-O 3.47Å; Q215-T249 PolarHBondContact N-O 3.44Å; Q215-T249 PolarHBondContact O-N 3.06Å; Q215-T249 PolarHBondContact O-OG1 3.35Å |
| 250 | F | 94.4 | Very high | 87.8 | Confident | 8 Ų | 8 | 33.8 Ų | 33.8 | 4% | 0.035 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126.7 | -168.1 | -46.1 | -73.6 | 0 | 0 | 0 | 111.1 | F148 L150 A200 P213 C214 L248 L264 W266 | F148-F250 WeakPolarHBondContact O-CD2 3.2Å; F148-F250 PolarHBondContact O-N 2.92Å; L150-F250 HydrophobicContact CB-CE2 4.49Å; L150-F250 HydrophobicContact CD1-CE2 4.03Å; L150-F250 HydrophobicContact CD1-CZ 3.98Å; L150-F250 HydrophobicContact CG-CE2 4.04Å; L150-F250 HydrophobicContact CG-CZ 4.37Å; A200-F250 HydrophobicContact CB-CB 4.2Å; A200-F250 HydrophobicContact CB-CD1 3.7Å; A200-F250 HydrophobicContact CB-CE1 4.47Å; A200-F250 HydrophobicContact CB-CG 4.22Å; P213-F250 WeakPolarHBondContact O-CA 2.97Å; C214-F250 HydrophobicContact CB-CD1 4.02Å; C214-F250 HydrophobicContact CB-CE1 4.32Å; C214-F250 WeakPolarHBondContact SG-CE1 3.49Å; L248-F250 HydrophobicContact CB-CE1 4.18Å; L248-F250 HydrophobicContact CB-CZ 3.87Å; F250-L264 HydrophobicContact CB-CD1 3.7Å; F250-L264 HydrophobicContact CB-CD2 4.11Å; F250-L264 HydrophobicContact CD2-CD1 4.48Å; F250-L264 HydrophobicContact CD2-CD2 3.56Å; F250-L264 HydrophobicContact CD2-CG 4.48Å; F250-L264 HydrophobicContact CE2-CD2 4.25Å; F250-L264 HydrophobicContact CG-CD1 4.1Å; F250-L264 HydrophobicContact CG-CD2 4.03Å; F250-W266 HydrophobicContact CD1-CB 4.35Å; F250-W266 HydrophobicContact CD1-CG 4.36Å; F250-W266 HydrophobicContact CE1-CB 3.75Å; F250-W266 AromaticContact CE1-CD1 3.74Å; F250-W266 AromaticContact CE1-CD2 3.93Å; F250-W266 HydrophobicContact CE1-CD2 3.93Å; F250-W266 AromaticContact CE1-CG 3.5Å; F250-W266 HydrophobicContact CE1-CG 3.5Å; F250-W266 HydrophobicContact CZ-CB 4.13Å; F250-W266 HydrophobicContact CZ-CD2 4.16Å; F250-W266 HydrophobicContact CZ-CE3 4.37Å; F250-W266 HydrophobicContact CZ-CG 4.05Å |
| 251 | G | 91.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | trans | 99 | 176.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P213 | P213-G251 PolarHBondContact O-N 2.82Š| ||
| 252 | A | 88.1 | Confident | 89.5 | Confident | 30 Ų | 30 | 33.7 Ų | 33.7 | 25% | 0.248 | 19% | 0.194 | C | C | . | . | trans | -128.3 | 172.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | P213 T254 W259 | P213-A252 HydrophobicContact CG-CB 4.14Å; A252-T254 PolarHBondContact O-N 3.39Å; A252-T254 VanDerWaalsContact O-N 3.15Å; A252-W259 WeakPolarHBondContact O-CH2 3.34Å | ||
| 253 | S | 82.5 | Confident | 90.2 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -65.6 | -17.7 | -178.5 | 77.7 | 0 | 0 | 0 | 0 | 113.6 | D51 R145 | D51-S253 PolarHBondContact OD1-OG 2.9Å; R145-S253 PolarHBondContact NH1-O 3.38Å; R145-S253 VanDerWaalsContact NH1-O 3.1Å |
| 254 | T | 83.4 | Confident | 90.8 | Very high | 78 Ų | 78 | 31.1 Ų | 31.1 | 48% | 0.479 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -138 | 162.5 | -179.7 | 63 | 0 | 0 | 0 | 0 | 110.9 | A252 | A252-T254 PolarHBondContact O-N 3.39Å; A252-T254 VanDerWaalsContact O-N 3.15Å |
| 255 | G | 86.8 | Confident | 91.4 | Very high | 51 Ų | 51 | 31.4 Ų | 31.4 | 53% | 0.526 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 92.7 | -160.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 256 | P | 89.9 | Confident | 91.8 | Very high | 44 Ų | 44 | 30.9 Ų | 30.9 | 29% | 0.286 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -60.7 | 151 | 175.5 | 25.2 | -31.7 | 0 | 0 | 0 | 110.4 | A211 L212 D260 | A211-P256 WeakPolarHBondContact O-CG 3.41Å; L212-P256 HydrophobicContact CD2-CB 3.94Å; L212-P256 HydrophobicContact CD2-CG 4Å; L212-P256 WeakPolarHBondContact CD2-O 3.49Å; P256-D260 VanDerWaalsContact CA-OD2 3.31Å; P256-D260 WeakPolarHBondContact CA-OD2 3.42Å |
| 257 | G | 91.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | trans | -161.8 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S202 W259 D260 | S202-G257 WeakPolarHBondContact CB-O 3.32Å; G257-W259 PolarHBondContact O-N 2.81Å; G257-W259 VanDerWaalsContact O-N 3.16Å; G257-D260 PolarHBondContact N-OD2 2.99Å; G257-D260 WeakPolarHBondContact O-CB 3.46Å; G257-D260 PolarHBondContact O-N 2.95Å; G257-D260 VanDerWaalsContact O-N 3.11Å | ||
| 258 | Y | 94.3 | Very high | 92.3 | Very high | 7 Ų | 7 | 28.6 Ų | 28.6 | 3% | 0.027 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.5 | -32.6 | 177.8 | 178.5 | -97.1 | 0 | 0 | 0 | 112.3 | L136 A139 F148 D260 H262 Y263 L264 | L136-Y258 HydrophobicContact CB-CE2 4.23Å; L136-Y258 HydrophobicContact CD2-CD2 4.29Å; L136-Y258 HydrophobicContact CD2-CE2 3.71Å; L136-Y258 HydrophobicContact CG-CE2 3.76Å; A139-Y258 WeakPolarHBondContact CA-OH 3.26Å; A139-Y258 WeakPolarHBondContact CB-OH 3.5Å; A139-Y258 PolarHBondContact N-OH 2.76Å; A139-Y258 VanDerWaalsContact O-CE1 3.23Å; A139-Y258 WeakPolarHBondContact O-CE1 3.23Å; A139-Y258 PolarHBondContact O-OH 2.79Å; F148-Y258 AromaticContact CD2-CD1 3.81Å; F148-Y258 HydrophobicContact CD2-CD1 3.81Å; F148-Y258 HydrophobicContact CD2-CD2 4.33Å; F148-Y258 HydrophobicContact CD2-CE1 4.36Å; F148-Y258 AromaticContact CD2-CG 3.75Å; F148-Y258 HydrophobicContact CD2-CG 3.75Å; F148-Y258 AromaticContact CE2-CD1 3.24Å; F148-Y258 HydrophobicContact CE2-CD1 3.24Å; F148-Y258 HydrophobicContact CE2-CD2 4.45Å; F148-Y258 AromaticContact CE2-CE1 3.58Å; F148-Y258 HydrophobicContact CE2-CE1 3.58Å; F148-Y258 AromaticContact CE2-CG 3.71Å; F148-Y258 HydrophobicContact CE2-CG 3.71Å; F148-Y258 HydrophobicContact CZ-CD1 4.13Å; F148-Y258 HydrophobicContact CZ-CE1 4.01Å; Y258-D260 PolarHBondContact O-N 2.83Å; Y258-D260 VanDerWaalsContact O-N 3.13Å; Y258-H262 HydrophobicContact CE1-CB 4.2Å; Y258-H262 WeakPolarHBondContact CE2-O 3.39Å; Y258-H262 WeakPolarHBondContact O-CA 3.14Å; Y258-H262 PolarHBondContact O-N 2.64Å; Y258-Y263 WeakPolarHBondContact CD2-O 3.08Å; Y258-L264 HydrophobicContact CD2-CB 3.75Å; Y258-L264 HydrophobicContact CE2-CB 4.33Å |
| 259 | W | 91.8 | Very high | 92.4 | Very high | 60 Ų | 60 | 28.7 Ų | 28.7 | 23% | 0.227 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -16 | 179.2 | 52.6 | 73.9 | 0 | 0 | 0 | 114.6 | R145 L147 A252 G257 | R145-W259 HydrophobicContact CB-CZ3 4.46Å; L147-W259 HydrophobicContact CD2-CH2 4.09Å; L147-W259 HydrophobicContact CD2-CZ3 3.86Å; A252-W259 WeakPolarHBondContact O-CH2 3.34Å; G257-W259 PolarHBondContact O-N 2.81Å; G257-W259 VanDerWaalsContact O-N 3.16Å |
| 260 | D | 91.4 | Very high | 92.4 | Very high | 78 Ų | 78 | 28.2 Ų | 28.2 | 42% | 0.417 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -72.6 | -47.1 | -178.1 | -62.9 | -34 | 0 | 0 | 0 | 112.3 | P256 G257 Y258 | P256-D260 VanDerWaalsContact CA-OD2 3.31Å; P256-D260 WeakPolarHBondContact CA-OD2 3.42Å; G257-D260 PolarHBondContact N-OD2 2.99Å; G257-D260 WeakPolarHBondContact O-CB 3.46Å; G257-D260 PolarHBondContact O-N 2.95Å; G257-D260 VanDerWaalsContact O-N 3.11Å; Y258-D260 PolarHBondContact O-N 2.83Å; Y258-D260 VanDerWaalsContact O-N 3.13Å |
| 261 | Q | 93.6 | Very high | 92.2 | Very high | 100 Ų | 100 | 27.9 Ų | 27.9 | 47% | 0.467 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -130.8 | 4.2 | -175.9 | -67.1 | -168.7 | -0.5 | 0 | 0 | 113.9 | Q203 Y263 | Q203-Q261 VanDerWaalsContact CG-CD 3.43Å; Q203-Q261 HydrophobicContact CG-CG 4.13Å; Q203-Q261 VanDerWaalsContact OE1-NE2 3.07Å; Q261-Y263 PolarHBondContact O-N 3.07Å |
| 262 | H | 95.5 | Very high | 92.1 | Very high | 70 Ų | 70 | 31.8 Ų | 31.8 | 32% | 0.324 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 41.8 | -170.6 | -59.1 | 72.8 | 0 | 0 | 0 | 111.3 | I137 G138 Y258 | I137-H262 CarbonylContact C-O 3.41Å; I137-H262 WeakPolarHBondContact CA-O 3.29Å; G138-H262 PolarHBondContact N-O 3.49Å; Y258-H262 HydrophobicContact CE1-CB 4.2Å; Y258-H262 WeakPolarHBondContact CE2-O 3.39Å; Y258-H262 WeakPolarHBondContact O-CA 3.14Å; Y258-H262 PolarHBondContact O-N 2.64Å |
| 263 | Y | 96.4 | Very high | 92.2 | Very high | 21 Ų | 21 | 31 Ų | 31 | 8% | 0.082 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 138.5 | 179.6 | -176.6 | -85.6 | 0 | 0 | 0 | 109.4 | L136 I137 S202 Q203 K204 Y258 Q261 S265 | L136-Y263 CarbonylContact O-C 3.03Å; L136-Y263 WeakPolarHBondContact O-CA 3.39Å; I137-Y263 HydrophobicContact CD1-CD2 4.31Å; I137-Y263 HydrophobicContact CD1-CE2 4.01Å; I137-Y263 HydrophobicContact CG1-CD2 3.83Å; I137-Y263 HydrophobicContact CG1-CE2 3.94Å; I137-Y263 HydrophobicContact CG2-CD2 4.44Å; S202-Y263 CarbonylContact C-O 3.54Å; S202-Y263 VanDerWaalsContact CA-O 3.29Å; S202-Y263 WeakPolarHBondContact CA-O 3.29Å; S202-Y263 WeakPolarHBondContact O-CB 3.5Å; Q203-Y263 WeakPolarHBondContact O-CE1 3.32Å; K204-Y263 HydrophobicContact CB-CE1 4.17Å; K204-Y263 HydrophobicContact CB-CE2 4.15Å; K204-Y263 HydrophobicContact CD-CE2 4.37Å; Y258-Y263 WeakPolarHBondContact CD2-O 3.08Å; Q261-Y263 PolarHBondContact O-N 3.07Å; Y263-S265 WeakPolarHBondContact OH-CB 3.42Å |
| 264 | L | 96.9 | Very high | 92.7 | Very high | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 127.2 | 171.5 | 172 | 72.3 | 0 | 0 | 0 | 107.4 | A135 L136 F148 A200 Y201 L212 F250 Y258 | A135-L264 CarbonylContact C-O 3.5Å; A135-L264 WeakPolarHBondContact CA-O 3.19Å; L136-L264 HydrophobicContact CB-CB 4.32Å; L136-L264 PolarHBondContact N-O 3.15Å; L136-L264 PolarHBondContact O-N 2.85Å; F148-L264 HydrophobicContact CB-CD2 3.96Å; A200-L264 HydrophobicContact CB-CD1 3.8Å; Y201-L264 CarbonylContact O-C 3.57Å; Y201-L264 VanDerWaalsContact O-CA 3.3Å; Y201-L264 WeakPolarHBondContact O-CA 3.48Å; L212-L264 HydrophobicContact CD1-CD1 3.6Å; F250-L264 HydrophobicContact CB-CD1 3.7Å; F250-L264 HydrophobicContact CB-CD2 4.11Å; F250-L264 HydrophobicContact CD2-CD1 4.48Å; F250-L264 HydrophobicContact CD2-CD2 3.56Å; F250-L264 HydrophobicContact CD2-CG 4.48Å; F250-L264 HydrophobicContact CE2-CD2 4.25Å; F250-L264 HydrophobicContact CG-CD1 4.1Å; F250-L264 HydrophobicContact CG-CD2 4.03Å; Y258-L264 HydrophobicContact CD2-CB 3.75Å; Y258-L264 HydrophobicContact CE2-CB 4.33Å |
| 265 | S | 96.5 | Very high | 93.1 | Very high | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 135.7 | 170.3 | 173.7 | 0 | 0 | 0 | 0 | 111 | E133 V134 A200 Y201 Y263 | E133-S265 PolarHBondContact OE1-OG 3.05Å; V134-S265 CarbonylContact O-C 3.5Å; V134-S265 VanDerWaalsContact O-CA 3.3Å; V134-S265 WeakPolarHBondContact O-CA 3.2Å; A200-S265 CarbonylContact C-O 3.41Å; A200-S265 VanDerWaalsContact CA-O 3.29Å; A200-S265 WeakPolarHBondContact CA-O 3.3Å; A200-S265 WeakPolarHBondContact CB-O 3.45Å; Y201-S265 PolarHBondContact N-O 3.48Å; Y201-S265 PolarHBondContact O-N 3.27Å; Y263-S265 WeakPolarHBondContact OH-CB 3.42Å |
| 266 | W | 96.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 151.1 | 174.8 | 172.4 | 75.7 | 0 | 0 | 0 | 109.3 | E133 V134 W196 A200 L248 F250 M268 | E133-W266 CarbonylContact C-O 3.52Å; E133-W266 WeakPolarHBondContact CA-O 3.32Å; V134-W266 HydrophobicContact CB-CE3 4.37Å; V134-W266 HydrophobicContact CG2-CE3 3.91Å; V134-W266 HydrophobicContact CG2-CZ3 4.18Å; V134-W266 PolarHBondContact N-O 2.81Å; V134-W266 PolarHBondContact O-N 2.82Å; W196-W266 HydrophobicContact CB-CZ2 3.85Å; W196-W266 AromaticContact CD1-NE1 3.94Å; W196-W266 HydrophobicContact CD2-CZ2 4.06Å; W196-W266 AromaticContact CG-CZ2 3.69Å; W196-W266 HydrophobicContact CG-CZ2 3.69Å; A200-W266 HydrophobicContact CB-CB 4.05Å; L248-W266 HydrophobicContact CD1-CE3 4.43Å; L248-W266 HydrophobicContact CD1-CH2 3.2Å; L248-W266 HydrophobicContact CD1-CZ2 3.44Å; L248-W266 VanDerWaalsContact CD1-CZ2 3.44Å; L248-W266 HydrophobicContact CD1-CZ3 3.79Å; F250-W266 HydrophobicContact CD1-CB 4.35Å; F250-W266 HydrophobicContact CD1-CG 4.36Å; F250-W266 HydrophobicContact CE1-CB 3.75Å; F250-W266 AromaticContact CE1-CD1 3.74Å; F250-W266 AromaticContact CE1-CD2 3.93Å; F250-W266 HydrophobicContact CE1-CD2 3.93Å; F250-W266 AromaticContact CE1-CG 3.5Å; F250-W266 HydrophobicContact CE1-CG 3.5Å; F250-W266 HydrophobicContact CZ-CB 4.13Å; F250-W266 HydrophobicContact CZ-CD2 4.16Å; F250-W266 HydrophobicContact CZ-CE3 4.37Å; F250-W266 HydrophobicContact CZ-CG 4.05Å; W266-M268 HydrophobicContact CH2-CB 3.67Å; W266-M268 HydrophobicContact CH2-CG 3.78Å; W266-M268 HydrophobicContact CH2-SD 3.26Å; W266-M268 WeakPolarHBondContact CH2-SD 3.29Å; W266-M268 HydrophobicContact CZ2-CB 3.85Å; W266-M268 HydrophobicContact CZ2-CG 4.45Å; W266-M268 HydrophobicContact CZ2-SD 4.26Å; W266-M268 HydrophobicContact CZ3-CB 4.26Å; W266-M268 HydrophobicContact CZ3-CG 4.04Å; W266-M268 HydrophobicContact CZ3-SD 3.7Å |
| 267 | S | 95.2 | Very high | 93.2 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 145 | -178.5 | -66.2 | 0 | 0 | 0 | 0 | 112.5 | L132 W196 | L132-S267 CarbonylContact O-C 3.57Å; L132-S267 WeakPolarHBondContact O-CA 3.33Å; W196-S267 WeakPolarHBondContact CB-O 3.3Å |
| 268 | M | 95.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 155.2 | 171.3 | 69.7 | -175.7 | -148.9 | 0 | 0 | 111.2 | E36 Q131 L132 Q195 W196 W266 L270 | E36-M268 VanDerWaalsContact CD-CE 3.45Å; E36-M268 HydrophobicContact CG-CE 4.4Å; E36-M268 WeakPolarHBondContact OE1-CE 3.49Å; E36-M268 WeakPolarHBondContact OE2-CE 3.25Å; Q131-M268 CarbonylContact C-O 3.53Å; Q131-M268 WeakPolarHBondContact CA-O 3.22Å; L132-M268 HydrophobicContact CB-CG 3.88Å; L132-M268 HydrophobicContact CD2-CE 3.79Å; L132-M268 HydrophobicContact CD2-CG 4.27Å; L132-M268 HydrophobicContact CD2-SD 4.25Å; L132-M268 PolarHBondContact N-O 2.54Å; L132-M268 PolarHBondContact O-N 2.8Å; Q195-M268 CarbonylContact O-C 3.55Å; Q195-M268 WeakPolarHBondContact O-CA 3.37Å; W196-M268 HydrophobicContact CB-CB 3.9Å; W266-M268 HydrophobicContact CH2-CB 3.67Å; W266-M268 HydrophobicContact CH2-CG 3.78Å; W266-M268 HydrophobicContact CH2-SD 3.26Å; W266-M268 WeakPolarHBondContact CH2-SD 3.29Å; W266-M268 HydrophobicContact CZ2-CB 3.85Å; W266-M268 HydrophobicContact CZ2-CG 4.45Å; W266-M268 HydrophobicContact CZ2-SD 4.26Å; W266-M268 HydrophobicContact CZ3-CB 4.26Å; W266-M268 HydrophobicContact CZ3-CG 4.04Å; W266-M268 HydrophobicContact CZ3-SD 3.7Å; M268-L270 HydrophobicContact CE-CD1 3.48Å; M268-L270 VanDerWaalsContact CE-CD1 3.48Å; M268-L270 HydrophobicContact CE-CD2 3.63Å; M268-L270 HydrophobicContact CE-CG 3.57Å; M268-L270 HydrophobicContact CG-CD1 4.09Å |
| 269 | L | 95.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138.2 | 166.5 | -68.2 | 176 | 0 | 0 | 0 | 109.3 | F111 L123 L124 H125 C130 Q131 A194 Q195 P276 | F111-L269 HydrophobicContact CE2-CD2 4.27Å; L123-L269 HydrophobicContact CB-CD1 3.75Å; L123-L269 HydrophobicContact CB-CG 3.97Å; L123-L269 HydrophobicContact CD1-CG 4.07Å; L124-L269 WeakPolarHBondContact O-CD1 3.33Å; H125-L269 HydrophobicContact CB-CD2 4.13Å; C130-L269 CarbonylContact O-C 3.58Å; C130-L269 WeakPolarHBondContact O-CA 3.34Å; Q131-L269 HydrophobicContact CB-CD2 3.76Å; Q131-L269 HydrophobicContact CG-CD2 4.15Å; A194-L269 CarbonylContact C-O 3.58Å; A194-L269 WeakPolarHBondContact CA-O 3.46Å; Q195-L269 HydrophobicContact CB-CB 4.45Å; Q195-L269 PolarHBondContact N-O 2.77Å; Q195-L269 PolarHBondContact O-N 2.88Å; L269-P276 HydrophobicContact CD1-CG 4.48Å |
| 270 | L | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.1 | 166.1 | -55.3 | 90.5 | 0 | 0 | 0 | 108.3 | F31 E36 T129 C130 L132 M268 | F31-L270 HydrophobicContact CD1-CD2 4.03Å; F31-L270 HydrophobicContact CE1-CD1 3.71Å; F31-L270 HydrophobicContact CE1-CD2 3.68Å; F31-L270 HydrophobicContact CE1-CG 4.38Å; F31-L270 HydrophobicContact CE2-CD1 4.48Å; F31-L270 HydrophobicContact CZ-CD1 3.54Å; F31-L270 HydrophobicContact CZ-CD2 4.17Å; F31-L270 HydrophobicContact CZ-CG 4.5Å; E36-L270 HydrophobicContact CB-CD2 4.47Å; E36-L270 WeakPolarHBondContact OE2-CD2 2.97Å; T129-L270 CarbonylContact C-O 3.57Å; T129-L270 VanDerWaalsContact CA-O 3.26Å; T129-L270 WeakPolarHBondContact CA-O 3.08Å; C130-L270 PolarHBondContact N-O 3.42Å; C130-L270 PolarHBondContact O-N 3.34Å; L132-L270 HydrophobicContact CB-CD1 3.83Å; M268-L270 HydrophobicContact CE-CD1 3.48Å; M268-L270 VanDerWaalsContact CE-CD1 3.48Å; M268-L270 HydrophobicContact CE-CD2 3.63Å; M268-L270 HydrophobicContact CE-CG 3.57Å; M268-L270 HydrophobicContact CG-CD1 4.09Å |
| 271 | G | 90.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 173.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D128 G192 F193 | D128-G271 WeakPolarHBondContact O-CA 2.92Å; G192-G271 WeakPolarHBondContact CA-O 3.43Å; F193-G271 PolarHBondContact N-O 2.81Å; F193-G271 PolarHBondContact O-N 2.97Å |
| 272 | V | 89.1 | Confident | 91.4 | Very high | 84 Ų | 84 | 35.2 Ų | 35.2 | 51% | 0.509 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.5 | 174.4 | 179.8 | 0 | 0 | 0 | 0 | 108 | L34 D128 | L34-V272 HydrophobicContact CD1-CG2 3.79Å; D128-V272 PolarHBondContact O-N 2.87Å |
| 273 | G | 90.7 | Very high | 91 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 14% | 0.144 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 124.3 | -128.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L189 P190 S191 | L189-G273 WeakPolarHBondContact CD2-O 3.33Å; P190-G273 WeakPolarHBondContact CA-O 3.09Å; S191-G273 PolarHBondContact N-O 2.74Å; S191-G273 PolarHBondContact O-N 2.97Å |
| 274 | F | 92.3 | Very high | 90.6 | Very high | 135 Ų | 135 | 36.9 Ų | 36.9 | 59% | 0.592 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -100.4 | 129.3 | 175.9 | -68.6 | -89 | 0 | 0 | 0 | 110 | L189 P190 | L189-F274 HydrophobicContact CB-CD1 4.13Å; L189-F274 HydrophobicContact CB-CE1 3.9Å; L189-F274 HydrophobicContact CD1-CD1 4.09Å; L189-F274 HydrophobicContact CD1-CE1 4.45Å; P190-F274 HydrophobicContact CB-CD2 4.43Å; P190-F274 HydrophobicContact CB-CE2 4.06Å; P190-F274 HydrophobicContact CB-CZ 4.42Å |
| 275 | P | 92.4 | Very high | 90.3 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 10% | 0.097 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 139.5 | 176.8 | 24.3 | -32.7 | 0 | 0 | 0 | 111 | L185 L189 F193 Q195 V277 | L185-P275 HydrophobicContact CD2-CG 4.36Å; L189-P275 HydrophobicContact CD1-CG 4.47Å; L189-P275 VanDerWaalsContact CD2-CD 3.49Å; L189-P275 HydrophobicContact CD2-CG 4.34Å; F193-P275 HydrophobicContact CD1-CB 4.27Å; F193-P275 HydrophobicContact CD2-CB 3.82Å; F193-P275 HydrophobicContact CE1-CB 4.46Å; F193-P275 HydrophobicContact CE2-CB 4.04Å; F193-P275 HydrophobicContact CG-CB 3.95Å; F193-P275 HydrophobicContact CZ-CB 4.36Å; Q195-P275 HydrophobicContact CG-CB 4.45Å; P275-V277 PolarHBondContact O-N 2.89Å |
| 276 | P | 91.8 | Very high | 90.1 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 135.3 | 168.4 | -19.7 | 23.2 | 0 | 0 | 0 | 111.2 | L124 T126 T129 Q195 L269 | L124-P276 HydrophobicContact CB-CB 4.21Å; L124-P276 HydrophobicContact CD2-CB 4.09Å; L124-P276 HydrophobicContact CG-CB 4.1Å; L124-P276 VanDerWaalsContact O-CB 3.25Å; L124-P276 WeakPolarHBondContact O-CB 3.17Å; L124-P276 VanDerWaalsContact O-CG 3.29Å; L124-P276 WeakPolarHBondContact O-CG 3.36Å; T126-P276 HydrophobicContact CG2-CB 4.32Å; T126-P276 HydrophobicContact CG2-CG 4.03Å; T129-P276 HydrophobicContact CG2-CG 3.99Å; Q195-P276 PolarHBondContact NE2-O 2.86Å; Q195-P276 VanDerWaalsContact OE1-CD 3.26Å; Q195-P276 PolarHBondContact OE1-O 2.85Å; L269-P276 HydrophobicContact CD1-CG 4.48Å |
| 277 | V | 87.1 | Confident | 89.9 | Confident | 104 Ų | 104 | 46.7 Ų | 46.7 | 63% | 0.63 | 28% | 0.278 | S | S | * | . | trans | -111.9 | 126.1 | 178 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | L124 P275 G279 | L124-V277 WeakPolarHBondContact CD2-O 3.41Å; P275-V277 PolarHBondContact O-N 2.89Å; V277-G279 PolarHBondContact O-N 2.82Å | ||
| 278 | D | 82.8 | Confident | 89.7 | Confident | 34 Ų | 34 | 50.5 Ų | 50.5 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 125.3 | 174.5 | -82.5 | -21.7 | 0 | 0 | 0 | 110 | R116 R197 | R116-D278 IonicContact CZ-OD1 3.9Å; R116-D278 IonicContact NH1-OD1 2.74Å; R116-D278 PolarHBondContact NH1-OD1 2.82Å; R116-D278 IonicContact NH2-OD1 3.71Å; R116-D278 PolarHBondContact NH2-OD1 2.86Å; R197-D278 IonicContact CZ-OD2 3.94Å; R197-D278 IonicContact NH1-OD2 3.2Å; R197-D278 IonicContact NH2-OD2 3.25Å; R197-D278 PolarHBondContact NH2-OD2 2.88Å |
| 279 | G | 82 | Confident | 89.7 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 49% | 0.485 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -96.6 | 169.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V277 | V277-G279 PolarHBondContact O-N 2.82Š|
| 280 | L | 84.4 | Confident | 89.7 | Confident | 73 Ų | 73 | 58.4 Ų | 58.4 | 38% | 0.382 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 136.8 | 173.2 | -60.1 | -180 | 0 | 0 | 0 | 110.9 | I170 D171 V284 L285 | I170-L280 HydrophobicContact CD1-CD1 4.45Å; I170-L280 HydrophobicContact CD1-CD2 3.63Å; I170-L280 HydrophobicContact CG1-CD2 3.44Å; I170-L280 VanDerWaalsContact CG1-CD2 3.44Å; D171-L280 HydrophobicContact CB-CD2 4.33Å; L280-V284 HydrophobicContact CD2-CG1 4.35Å; L280-L285 HydrophobicContact CB-CD1 4.45Å; L280-L285 HydrophobicContact CB-CD2 3.94Å; L280-L285 HydrophobicContact CB-CG 3.88Å; L280-L285 HydrophobicContact CD1-CD2 3.88Å |
| 281 | S | 85.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 156.4 | 176.8 | 78.8 | 0 | 0 | 0 | 0 | 112.2 | D171 E173 Y174 L283 V284 L285 | D171-S281 WeakPolarHBondContact OD2-CA 3.4Å; D171-S281 WeakPolarHBondContact OD2-CB 3.34Å; D171-S281 PolarHBondContact OD2-N 3.03Å; D171-S281 PolarHBondContact OD2-OG 3.41Å; E173-S281 WeakPolarHBondContact OE2-CB 3.47Å; E173-S281 PolarHBondContact OE2-OG 2.88Å; Y174-S281 WeakPolarHBondContact OH-CA 3.26Å; Y174-S281 VanDerWaalsContact OH-CB 3.23Å; Y174-S281 WeakPolarHBondContact OH-CB 3.19Å; S281-L283 PolarHBondContact O-N 3.47Å; S281-L283 PolarHBondContact OG-N 3.41Å; S281-V284 PolarHBondContact O-N 2.88Å; S281-V284 PolarHBondContact OG-N 2.89Å; S281-L285 WeakPolarHBondContact O-CB 3.43Å; S281-L285 VanDerWaalsContact O-CG 3.31Å; S281-L285 WeakPolarHBondContact O-CG 3.29Å; S281-L285 PolarHBondContact O-N 2.82Å |
| 282 | P | 88.3 | Confident | 89.8 | Confident | 100 Ų | 100 | 66.7 Ų | 66.7 | 65% | 0.649 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -56 | -31.3 | 172 | -25.7 | 35.4 | 0 | 0 | 0 | 113.5 | G286 | P282-G286 PolarHBondContact O-N 3.31Å |
| 283 | L | 88.4 | Confident | 90.1 | Very high | 100 Ų | 100 | 64.1 Ų | 64.1 | 52% | 0.524 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69 | -50.6 | 177.7 | -177.5 | 154.4 | 0 | 0 | 0 | 110.9 | E173 S281 L285 G286 I287 | E173-L283 VanDerWaalsContact OE2-CB 3.22Å; E173-L283 WeakPolarHBondContact OE2-CB 3.43Å; S281-L283 PolarHBondContact O-N 3.47Å; S281-L283 PolarHBondContact OG-N 3.41Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 3.05Å; L283-G286 WeakPolarHBondContact O-CA 3.04Å; L283-G286 PolarHBondContact O-N 3.24Å; L283-G286 VanDerWaalsContact O-N 3.1Å; L283-I287 HydrophobicContact CD2-CD1 3.52Å; L283-I287 HydrophobicContact CD2-CG1 4.28Å; L283-I287 WeakPolarHBondContact O-CG1 3.46Å; L283-I287 PolarHBondContact O-N 3.01Å |
| 284 | V | 88 | Confident | 90.2 | Very high | 27 Ų | 27 | 65.9 Ų | 65.9 | 16% | 0.164 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 178.4 | 173 | 0 | 0 | 0 | 0 | 110.2 | D171 L280 S281 G286 I287 M288 | D171-V284 HydrophobicContact CB-CG2 4.24Å; L280-V284 HydrophobicContact CD2-CG1 4.35Å; S281-V284 PolarHBondContact O-N 2.88Å; S281-V284 PolarHBondContact OG-N 2.89Å; V284-G286 VanDerWaalsContact C-N 3.28Å; V284-G286 PolarHBondContact O-N 2.74Å; V284-I287 PolarHBondContact O-N 3Å; V284-M288 HydrophobicContact CG1-CG 4.28Å; V284-M288 WeakPolarHBondContact O-CB 3.47Å; V284-M288 VanDerWaalsContact O-CG 3.23Å; V284-M288 WeakPolarHBondContact O-CG 3.49Å; V284-M288 PolarHBondContact O-N 2.72Å |
| 285 | L | 89.4 | Confident | 90.3 | Very high | 92 Ų | 92 | 62.5 Ų | 62.5 | 48% | 0.482 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 173.5 | -70.9 | 173.5 | 0 | 0 | 0 | 112 | L280 S281 L283 M288 A289 | L280-L285 HydrophobicContact CB-CD1 4.45Å; L280-L285 HydrophobicContact CB-CD2 3.94Å; L280-L285 HydrophobicContact CB-CG 3.88Å; L280-L285 HydrophobicContact CD1-CD2 3.88Å; S281-L285 WeakPolarHBondContact O-CB 3.43Å; S281-L285 VanDerWaalsContact O-CG 3.31Å; S281-L285 WeakPolarHBondContact O-CG 3.29Å; S281-L285 PolarHBondContact O-N 2.82Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 3.05Å; L285-M288 PolarHBondContact O-N 3.1Å; L285-A289 VanDerWaalsContact O-CB 3.26Å; L285-A289 WeakPolarHBondContact O-CB 3.12Å; L285-A289 PolarHBondContact O-N 2.8Å |
| 286 | G | 93.3 | Very high | 90.4 | Very high | 33 Ų | 33 | 63.2 Ų | 63.2 | 34% | 0.34 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P282 L283 V284 A289 V290 | P282-G286 PolarHBondContact O-N 3.31Å; L283-G286 WeakPolarHBondContact O-CA 3.04Å; L283-G286 PolarHBondContact O-N 3.24Å; L283-G286 VanDerWaalsContact O-N 3.1Å; V284-G286 VanDerWaalsContact C-N 3.28Å; V284-G286 PolarHBondContact O-N 2.74Å; G286-A289 PolarHBondContact O-N 3Å; G286-V290 WeakPolarHBondContact O-CG2 3.5Å; G286-V290 PolarHBondContact O-N 3.02Å |
| 287 | I | 91.4 | Very high | 90.5 | Very high | 102 Ų | 102 | 68.8 Ų | 68.8 | 52% | 0.523 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 176.1 | -67.1 | 175 | 0 | 0 | 0 | 110.2 | L283 V284 A289 V290 A291 | L283-I287 HydrophobicContact CD2-CD1 3.52Å; L283-I287 HydrophobicContact CD2-CG1 4.28Å; L283-I287 WeakPolarHBondContact O-CG1 3.46Å; L283-I287 PolarHBondContact O-N 3.01Å; V284-I287 PolarHBondContact O-N 3Å; I287-A289 VanDerWaalsContact C-N 3.32Å; I287-A289 PolarHBondContact O-N 3.23Å; I287-V290 PolarHBondContact O-N 3.24Å; I287-A291 WeakPolarHBondContact O-CB 3.4Å; I287-A291 PolarHBondContact O-N 3.29Å |
| 288 | M | 91 | Very high | 90.9 | Very high | 86 Ų | 86 | 71 Ų | 71 | 42% | 0.424 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 178.6 | -70.3 | -63.9 | -74.4 | 0 | 0 | 111.7 | V284 L285 V290 L292 | V284-M288 HydrophobicContact CG1-CG 4.28Å; V284-M288 WeakPolarHBondContact O-CB 3.47Å; V284-M288 VanDerWaalsContact O-CG 3.23Å; V284-M288 WeakPolarHBondContact O-CG 3.49Å; V284-M288 PolarHBondContact O-N 2.72Å; L285-M288 PolarHBondContact O-N 3.1Å; M288-V290 PolarHBondContact O-N 3.39Å; M288-L292 HydrophobicContact CE-CD1 3.75Å; M288-L292 VanDerWaalsContact O-CB 3.3Å; M288-L292 WeakPolarHBondContact O-CB 3.19Å; M288-L292 WeakPolarHBondContact O-CG 3.35Å; M288-L292 PolarHBondContact O-N 3.12Å |
| 289 | A | 94.7 | Very high | 91.4 | Very high | 67 Ų | 67 | 75.9 Ų | 75.9 | 55% | 0.554 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.3 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L285 G286 I287 G293 | L285-A289 VanDerWaalsContact O-CB 3.26Å; L285-A289 WeakPolarHBondContact O-CB 3.12Å; L285-A289 PolarHBondContact O-N 2.8Å; G286-A289 PolarHBondContact O-N 3Å; I287-A289 VanDerWaalsContact C-N 3.32Å; I287-A289 PolarHBondContact O-N 3.23Å; A289-G293 WeakPolarHBondContact O-CA 3.43Å; A289-G293 PolarHBondContact O-N 3.33Å |
| 290 | V | 95.4 | Very high | 92 | Very high | 104 Ų | 104 | 79.7 Ų | 79.7 | 63% | 0.63 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -73 | -47.6 | 178 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | G286 I287 M288 L292 A294 | G286-V290 WeakPolarHBondContact O-CG2 3.5Å; G286-V290 PolarHBondContact O-N 3.02Å; I287-V290 PolarHBondContact O-N 3.24Å; M288-V290 PolarHBondContact O-N 3.39Å; V290-L292 PolarHBondContact O-N 2.84Å; V290-A294 WeakPolarHBondContact O-CB 3.5Å; V290-A294 PolarHBondContact O-N 2.72Å |
| 291 | A | 94 | Very high | 92.5 | Very high | 56 Ų | 56 | 78 Ų | 78 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66 | -35.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.9 | I287 P295 | I287-A291 WeakPolarHBondContact O-CB 3.4Å; I287-A291 PolarHBondContact O-N 3.29Å; A291-P295 WeakPolarHBondContact O-CD 3.32Å; A291-P295 WeakPolarHBondContact O-CG 3.29Å |
| 292 | L | 93.8 | Very high | 92.8 | Very high | 118 Ų | 118 | 79.6 Ų | 79.6 | 62% | 0.618 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -93.2 | -34.9 | 176.8 | -61.1 | 176.6 | 0 | 0 | 0 | 112.3 | M288 V290 G296 | M288-L292 HydrophobicContact CE-CD1 3.75Å; M288-L292 VanDerWaalsContact O-CB 3.3Å; M288-L292 WeakPolarHBondContact O-CB 3.19Å; M288-L292 WeakPolarHBondContact O-CG 3.35Å; M288-L292 PolarHBondContact O-N 3.12Å; V290-L292 PolarHBondContact O-N 2.84Å; L292-G296 PolarHBondContact O-N 3.41Å; L292-G296 VanDerWaalsContact O-N 3.15Å |
| 293 | G | 94.6 | Very high | 93 | Very high | 31 Ų | 31 | 76.3 Ų | 76.3 | 32% | 0.32 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.4 | -42.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | A289 G296 L297 | A289-G293 WeakPolarHBondContact O-CA 3.43Å; A289-G293 PolarHBondContact O-N 3.33Å; G293-G296 PolarHBondContact O-N 2.89Å; G293-L297 WeakPolarHBondContact O-CB 3.47Å; G293-L297 WeakPolarHBondContact O-CG 3.17Å; G293-L297 PolarHBondContact O-N 2.92Å |
| 294 | A | 93.9 | Very high | 93.2 | Very high | 50 Ų | 50 | 76.6 Ų | 76.6 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64 | -50 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V290 G296 L297 M298 | V290-A294 WeakPolarHBondContact O-CB 3.5Å; V290-A294 PolarHBondContact O-N 2.72Å; A294-G296 VanDerWaalsContact C-N 3.33Å; A294-G296 PolarHBondContact O-N 3.12Å; A294-L297 PolarHBondContact O-N 2.89Å; A294-M298 WeakPolarHBondContact O-CG 3.23Å; A294-M298 PolarHBondContact O-N 3.12Å |
| 295 | P | 93.8 | Very high | 93.4 | Very high | 65 Ų | 65 | 80 Ų | 80 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -40 | 173.7 | -24.1 | 35.2 | 0 | 0 | 0 | 113 | A291 L297 M298 L299 | A291-P295 WeakPolarHBondContact O-CD 3.32Å; A291-P295 WeakPolarHBondContact O-CG 3.29Å; P295-L297 PolarHBondContact O-N 2.95Å; P295-M298 PolarHBondContact O-N 2.92Å; P295-L299 WeakPolarHBondContact O-CG 3.5Å; P295-L299 PolarHBondContact O-N 2.9Å |
| 296 | G | 94 | Very high | 93.4 | Very high | 30 Ų | 30 | 81.6 Ų | 81.6 | 31% | 0.309 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L292 G293 A294 L299 L300 | L292-G296 PolarHBondContact O-N 3.41Å; L292-G296 VanDerWaalsContact O-N 3.15Å; G293-G296 PolarHBondContact O-N 2.89Å; A294-G296 VanDerWaalsContact C-N 3.33Å; A294-G296 PolarHBondContact O-N 3.12Å; G296-L299 PolarHBondContact O-N 2.86Å; G296-L300 WeakPolarHBondContact O-CB 3.38Å; G296-L300 WeakPolarHBondContact O-CG 3.48Å; G296-L300 PolarHBondContact O-N 3.18Å |
| 297 | L | 94.8 | Very high | 93.2 | Very high | 126 Ų | 126 | 86 Ų | 86 | 66% | 0.66 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66 | -38.5 | 176.2 | -72.7 | 173 | 0 | 0 | 0 | 112.2 | G293 A294 P295 L300 G301 | G293-L297 WeakPolarHBondContact O-CB 3.47Å; G293-L297 WeakPolarHBondContact O-CG 3.17Å; G293-L297 PolarHBondContact O-N 2.92Å; A294-L297 PolarHBondContact O-N 2.89Å; P295-L297 PolarHBondContact O-N 2.95Å; L297-L300 PolarHBondContact O-N 2.91Å; L297-G301 PolarHBondContact O-N 3.16Å |
| 298 | M | 94.3 | Very high | 92.9 | Very high | 151 Ų | 151 | 86.2 Ų | 86.2 | 74% | 0.744 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.4 | -41.3 | 175.3 | -70.6 | -172.8 | 92.3 | 0 | 0 | 112 | A294 P295 G302 | A294-M298 WeakPolarHBondContact O-CG 3.23Å; A294-M298 PolarHBondContact O-N 3.12Å; P295-M298 PolarHBondContact O-N 2.92Å; M298-G302 PolarHBondContact O-N 2.68Å |
| 299 | L | 95.3 | Very high | 92.3 | Very high | 135 Ų | 135 | 87.4 Ų | 87.4 | 71% | 0.707 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.9 | -43.3 | 176.4 | -73.1 | 171.9 | 0 | 0 | 0 | 112 | P295 G296 G303 | P295-L299 WeakPolarHBondContact O-CG 3.5Å; P295-L299 PolarHBondContact O-N 2.9Å; G296-L299 PolarHBondContact O-N 2.86Å; L299-G303 PolarHBondContact O-N 3.34Å |
| 300 | L | 94.1 | Very high | 91.1 | Very high | 128 Ų | 128 | 91.2 Ų | 91.2 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.7 | -46 | 176.4 | -74 | 170.2 | 0 | 0 | 0 | 111.7 | G296 L297 G303 L304 | G296-L300 WeakPolarHBondContact O-CB 3.38Å; G296-L300 WeakPolarHBondContact O-CG 3.48Å; G296-L300 PolarHBondContact O-N 3.18Å; L297-L300 PolarHBondContact O-N 2.91Å; L300-G303 PolarHBondContact O-N 3.25Å; L300-L304 WeakPolarHBondContact O-CB 3.31Å; L300-L304 PolarHBondContact O-N 2.75Å |
| 301 | G | 93.8 | Very high | 89.5 | Confident | 36 Ų | 36 | 93.8 Ų | 93.8 | 37% | 0.371 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | L297 L304 V305 | L297-G301 PolarHBondContact O-N 3.16Å; G301-L304 PolarHBondContact O-N 3.05Å; G301-V305 WeakPolarHBondContact O-CG2 3.03Å; G301-V305 PolarHBondContact O-N 3.13Å |
| 302 | G | 92.7 | Very high | 87.8 | Confident | 34 Ų | 34 | 98.6 Ų | 98.6 | 35% | 0.351 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | M298 V305 L306 | M298-G302 PolarHBondContact O-N 2.68Å; G302-V305 PolarHBondContact O-N 3.11Å; G302-L306 WeakPolarHBondContact O-CG 3.2Å; G302-L306 PolarHBondContact O-N 2.98Å |
| 303 | G | 92.4 | Very high | 85.9 | Confident | 31 Ų | 31 | 101 Ų | 101 | 32% | 0.32 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L299 L300 V305 L306 L307 | L299-G303 PolarHBondContact O-N 3.34Å; L300-G303 PolarHBondContact O-N 3.25Å; G303-V305 PolarHBondContact O-N 2.82Å; G303-L306 PolarHBondContact O-N 3.35Å; G303-L307 VanDerWaalsContact O-CG 3.31Å; G303-L307 WeakPolarHBondContact O-CG 3.43Å; G303-L307 PolarHBondContact O-N 3.19Å |
| 304 | L | 93.1 | Very high | 84 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 56% | 0.56 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.9 | -43.2 | 176.6 | -168.4 | 74.4 | 0 | 0 | 0 | 111.6 | L300 G301 L306 L307 L308 | L300-L304 WeakPolarHBondContact O-CB 3.31Å; L300-L304 PolarHBondContact O-N 2.75Å; G301-L304 PolarHBondContact O-N 3.05Å; L304-L306 PolarHBondContact O-N 2.73Å; L304-L307 PolarHBondContact O-N 3.32Å; L304-L308 HydrophobicContact CG-CD1 4.09Å; L304-L308 WeakPolarHBondContact O-CB 3.46Å; L304-L308 VanDerWaalsContact O-CG 3.26Å; L304-L308 WeakPolarHBondContact O-CG 3.32Å; L304-L308 PolarHBondContact O-N 3.16Å |
| 305 | V | 92.3 | Very high | 82.1 | Confident | 98 Ų | 98 | 109.9 Ų | 109.9 | 59% | 0.594 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -60.3 | -46.1 | 176.3 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | G301 G302 G303 L308 H309 | G301-V305 WeakPolarHBondContact O-CG2 3.03Å; G301-V305 PolarHBondContact O-N 3.13Å; G302-V305 PolarHBondContact O-N 3.11Å; G303-V305 PolarHBondContact O-N 2.82Å; V305-L308 PolarHBondContact O-N 3.03Å; V305-H309 WeakPolarHBondContact O-CB 3.41Å; V305-H309 PolarHBondContact O-N 2.79Å |
| 306 | L | 89.6 | Confident | 80.3 | Confident | 125 Ų | 125 | 116.6 Ų | 116.6 | 65% | 0.654 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.5 | -44.9 | 177.9 | -72.4 | 171 | 0 | 0 | 0 | 112.1 | G302 G303 L304 L308 H309 H310 | G302-L306 WeakPolarHBondContact O-CG 3.2Å; G302-L306 PolarHBondContact O-N 2.98Å; G303-L306 PolarHBondContact O-N 3.35Å; L304-L306 PolarHBondContact O-N 2.73Å; L306-L308 PolarHBondContact O-N 3.44Å; L306-H309 PolarHBondContact O-N 3.5Å; L306-H310 PolarHBondContact O-N 3.11Å |
| 307 | L | 87.6 | Confident | 78.4 | Confident | 127 Ų | 127 | 122.9 Ų | 122.9 | 67% | 0.665 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.8 | -42.6 | 177.7 | -72.2 | 171.2 | 0 | 0 | 0 | 112.3 | G303 L304 K311 | G303-L307 VanDerWaalsContact O-CG 3.31Å; G303-L307 WeakPolarHBondContact O-CG 3.43Å; G303-L307 PolarHBondContact O-N 3.19Å; L304-L307 PolarHBondContact O-N 3.32Å; L307-K311 PolarHBondContact O-N 3.24Å |
| 308 | L | 86.5 | Confident | 76.3 | Confident | 106 Ų | 106 | 122.5 Ų | 122.5 | 56% | 0.555 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68 | -35.2 | 177.2 | -70.2 | 172.9 | 0 | 0 | 0 | 112.2 | L304 V305 L306 K312 | L304-L308 HydrophobicContact CG-CD1 4.09Å; L304-L308 WeakPolarHBondContact O-CB 3.46Å; L304-L308 VanDerWaalsContact O-CG 3.26Å; L304-L308 WeakPolarHBondContact O-CG 3.32Å; L304-L308 PolarHBondContact O-N 3.16Å; V305-L308 PolarHBondContact O-N 3.03Å; L306-L308 PolarHBondContact O-N 3.44Å; L308-K312 PolarHBondContact O-N 3.46Å |
| 309 | H | 77.1 | Confident | 74.5 | Confident | 111 Ų | 111 | 122 Ų | 122 | 51% | 0.514 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71.1 | -40.4 | 178.2 | -159.3 | 57.3 | 0 | 0 | 0 | 112.1 | V305 L306 K311 K312 Y313 | V305-H309 WeakPolarHBondContact O-CB 3.41Å; V305-H309 PolarHBondContact O-N 2.79Å; L306-H309 PolarHBondContact O-N 3.5Å; H309-K311 VanDerWaalsContact C-N 3.31Å; H309-K311 PolarHBondContact O-N 2.74Å; H309-K312 PolarHBondContact O-N 3.3Å; H309-Y313 AromaticContact CE1-CE2 3.81Å; H309-Y313 AromaticContact NE2-CE2 3.54Å; H309-Y313 PolarHBondContact O-N 3.32Å |
| 310 | H | 70.1 | Confident | 72.1 | Confident | 146 Ų | 146 | 126.6 Ų | 126.6 | 68% | 0.676 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -62.4 | -37.8 | 176.3 | -166.3 | -123.4 | 0 | 0 | 0 | 112.3 | L306 K312 Y313 S314 | L306-H310 PolarHBondContact O-N 3.11Å; H310-K312 PolarHBondContact O-N 3.4Å; H310-Y313 PolarHBondContact O-N 2.95Å; H310-S314 PolarHBondContact O-N 2.9Å; H310-S314 VanDerWaalsContact O-N 3.11Å |
| 311 | K | 61 | Low | 71 | Confident | 158 Ų | 158 | 126.6 Ų | 126.6 | 69% | 0.687 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.2 | -35.8 | 178.3 | -149.9 | 179.2 | -176.2 | -176.2 | 0 | 113 | L307 H309 S314 | L307-K311 PolarHBondContact O-N 3.24Å; H309-K311 VanDerWaalsContact C-N 3.31Å; H309-K311 PolarHBondContact O-N 2.74Å; K311-S314 PolarHBondContact O-N 3.17Å |
| 312 | K | 58.4 | Low | 69.8 | Low | 158 Ų | 158 | 131.3 Ų | 131.3 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -68.2 | -33.1 | 175.3 | -76.2 | -173.4 | 175.5 | -176.1 | 0 | 113.3 | L308 H309 H310 | L308-K312 PolarHBondContact O-N 3.46Å; H309-K312 PolarHBondContact O-N 3.3Å; H310-K312 PolarHBondContact O-N 3.4Å |
| 313 | Y | 54.9 | Low | 68.5 | Low | 169 Ų | 169 | 136.7 Ų | 136.7 | 66% | 0.663 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -77.1 | -27.8 | 175.9 | -91.5 | -84.4 | 0 | 0 | 0 | 112.9 | H309 H310 E315 Y316 | H309-Y313 AromaticContact CE1-CE2 3.81Å; H309-Y313 AromaticContact NE2-CE2 3.54Å; H309-Y313 PolarHBondContact O-N 3.32Å; H310-Y313 PolarHBondContact O-N 2.95Å; Y313-E315 VanDerWaalsContact C-N 3.33Å; Y313-E315 PolarHBondContact O-N 2.94Å; Y313-Y316 PolarHBondContact O-N 2.78Å |
| 314 | S | 54 | Low | 67.1 | Low | 97 Ų | 97 | 142.9 Ų | 142.9 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -74.9 | -16.6 | 177.1 | -171.3 | 0 | 0 | 0 | 0 | 114.4 | H310 K311 Y316 | H310-S314 PolarHBondContact O-N 2.9Å; H310-S314 VanDerWaalsContact O-N 3.11Å; K311-S314 PolarHBondContact O-N 3.17Å; S314-Y316 PolarHBondContact O-N 2.81Å |
| 315 | E | 54.2 | Low | 65.5 | Low | 169 Ų | 169 | 145.2 Ų | 145.2 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -2.4 | 175.4 | -93.8 | -178.8 | 168.2 | 0 | 0 | 113.5 | Y313 | Y313-E315 VanDerWaalsContact C-N 3.33Å; Y313-E315 PolarHBondContact O-N 2.94Å |
| 316 | Y | 55.5 | Low | 63.7 | Low | 207 Ų | 207 | 148.3 Ų | 148.3 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -107.5 | 74.1 | 177.1 | -114.5 | -89.7 | 0 | 0 | 0 | 111.4 | Y313 S314 | Y313-Y316 PolarHBondContact O-N 2.78Å; S314-Y316 PolarHBondContact O-N 2.81Å |
| 317 | Q | 54.4 | Low | 61.9 | Low | 162 Ų | 162 | 150 Ų | 150 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | trans | 172.7 | 105.7 | 139 | -99.3 | 178.3 | -18.9 | 0 | 0 | 111.3 | I319 | Q317-I319 HydrophobicContact CG-CD1 4.26Å; Q317-I319 HydrophobicContact CG-CG1 4.31Å | ||
| 318 | S | 52.1 | Low | 59.9 | Low | 118 Ų | 118 | 151.8 Ų | 151.8 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | -127.7 | 96 | 126 | 71.4 | 0 | 0 | 0 | 0 | 107.1 | N320 | S318-N320 PolarHBondContact O-N 2.99Š| |||
| 319 | I | 56.4 | Low | 57.7 | Low | 139 Ų | 139 | 155.6 Ų | 155.6 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | -81.6 | 102.3 | 164.3 | -59.9 | 169.5 | 0 | 0 | 0 | 105 | Q317 | Q317-I319 HydrophobicContact CG-CD1 4.26Å; Q317-I319 HydrophobicContact CG-CG1 4.31Å | ||
| 320 | N | 43.9 | Very low | 55.9 | Low | 233 Ų | 233 | 159.6 Ų | 159.6 | 100% | 1.246 | 78% | 0.776 | S | S | * | * | trans | -131.5 | 0 | 156.2 | -97.7 | -6.8 | 0 | 0 | 0 | 107.2 | S318 | S318-N320 PolarHBondContact O-N 2.99Š|
Retrieved 320 of 320 residues in 328.5 ms
(Link to these results)