| 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 | 36.6 | Very low | 57.4 | Low | 242 Ų | 242 | 127.3 Ų | 127.3 | 100% | 1.192 | 64% | 0.644 | S | S | * | * | 0 | 101.8 | 0 | -69.1 | 160.1 | 99 | 0 | 0 | 109.1 | |||||
| 2 | K | 40.1 | Very low | 59 | Low | 205 Ų | 205 | 120.5 Ų | 120.5 | 89% | 0.891 | 61% | 0.611 | S | S | * | * | trans | -103 | 25 | 179.6 | -100 | -174.8 | 178.5 | -179 | 0 | 113.2 | S4 | K2-S4 VanDerWaalsContact C-N 3.3Å; K2-S4 PolarHBondContact O-N 3.33Å | ||
| 3 | K | 42.4 | Very low | 60.7 | Low | 191 Ų | 191 | 115.3 Ų | 115.3 | 83% | 0.83 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 0.3 | -177.7 | -81.9 | -172.4 | 175.1 | -177.8 | 0 | 115 | T7 | K3-T7 PolarHBondContact O-OG1 3.3Š|
| 4 | S | 52.7 | Low | 62.1 | Low | 82 Ų | 82 | 109.9 Ų | 109.9 | 57% | 0.573 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -88.7 | -27.4 | -172.3 | 163.7 | 0 | 0 | 0 | 0 | 115 | K2 T7 | K2-S4 VanDerWaalsContact C-N 3.3Å; K2-S4 PolarHBondContact O-N 3.33Å; S4-T7 PolarHBondContact O-OG1 2.92Å |
| 5 | S | 54 | Low | 63.4 | Low | 81 Ų | 81 | 102.5 Ų | 102.5 | 57% | 0.566 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -78.4 | -42.5 | -175.3 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | T7 N8 D9 | S5-T7 VanDerWaalsContact C-N 3.33Å; S5-T7 PolarHBondContact O-N 3.26Å; S5-N8 PolarHBondContact O-N 3.15Å; S5-D9 PolarHBondContact O-N 3.28Å |
| 6 | K | 55 | Low | 64.3 | Low | 145 Ų | 145 | 97 Ų | 97 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.1 | -35.7 | -175.8 | -166.3 | 170.5 | -178.8 | 175.8 | 0 | 113.1 | E10 | K6-E10 WeakPolarHBondContact O-CG 3.35Å; K6-E10 PolarHBondContact O-N 2.95Å; K6-E10 VanDerWaalsContact O-N 3.17Å |
| 7 | T | 61.4 | Low | 65.3 | Low | 67 Ų | 67 | 95.9 Ų | 95.9 | 41% | 0.411 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.9 | -33.2 | 177.5 | 41.9 | 0 | 0 | 0 | 0 | 112.5 | K3 S4 S5 N11 | K3-T7 PolarHBondContact O-OG1 3.3Å; S4-T7 PolarHBondContact O-OG1 2.92Å; S5-T7 VanDerWaalsContact C-N 3.33Å; S5-T7 PolarHBondContact O-N 3.26Å; T7-N11 WeakPolarHBondContact O-CB 3.43Å; T7-N11 PolarHBondContact O-N 2.88Å; T7-N11 PolarHBondContact O-ND2 3.01Å |
| 8 | N | 65.8 | Low | 66.2 | Low | 92 Ų | 92 | 91.1 Ų | 91.1 | 49% | 0.492 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.4 | -42.7 | 174.8 | -77.6 | -7.4 | 0 | 0 | 0 | 111.9 | S5 N11 L12 | S5-N8 PolarHBondContact O-N 3.15Å; N8-N11 PolarHBondContact O-N 3.44Å; N8-L12 WeakPolarHBondContact O-CB 3.45Å; N8-L12 WeakPolarHBondContact O-CG 3.2Å; N8-L12 PolarHBondContact O-N 2.92Å |
| 9 | D | 71.9 | Confident | 66.9 | Low | 97 Ų | 97 | 86.3 Ų | 86.3 | 52% | 0.519 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 177.6 | -75.5 | -14.8 | 0 | 0 | 0 | 112.5 | S5 L12 S13 | S5-D9 PolarHBondContact O-N 3.28Å; D9-L12 PolarHBondContact O-N 3.02Å; D9-S13 WeakPolarHBondContact O-CB 3.18Å; D9-S13 PolarHBondContact O-N 2.88Å; D9-S13 PolarHBondContact O-OG 3.03Å |
| 10 | E | 76 | Confident | 67.3 | Low | 112 Ų | 112 | 87 Ų | 87 | 52% | 0.523 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 175.5 | -74.3 | 171.5 | -171.7 | 0 | 0 | 111.3 | K6 S13 A14 | K6-E10 WeakPolarHBondContact O-CG 3.35Å; K6-E10 PolarHBondContact O-N 2.95Å; K6-E10 VanDerWaalsContact O-N 3.17Å; E10-S13 PolarHBondContact O-N 3.29Å; E10-A14 WeakPolarHBondContact O-CB 3.05Å; E10-A14 PolarHBondContact O-N 3.23Å |
| 11 | N | 75.9 | Confident | 67.9 | Low | 86 Ų | 86 | 88.4 Ų | 88.4 | 46% | 0.46 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64 | -40 | 175.7 | -76.1 | -22.3 | 0 | 0 | 0 | 112.4 | T7 N8 F15 | T7-N11 WeakPolarHBondContact O-CB 3.43Å; T7-N11 PolarHBondContact O-N 2.88Å; T7-N11 PolarHBondContact O-ND2 3.01Å; N8-N11 PolarHBondContact O-N 3.44Å; N11-F15 WeakPolarHBondContact O-CB 3.48Å; N11-F15 PolarHBondContact O-N 2.86Å |
| 12 | L | 76.6 | Confident | 69.6 | Low | 46 Ų | 46 | 78.3 Ų | 78.3 | 24% | 0.241 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 174.7 | -76.2 | 173.1 | 0 | 0 | 0 | 111.5 | N8 D9 A14 F15 F16 C30 | N8-L12 WeakPolarHBondContact O-CB 3.45Å; N8-L12 WeakPolarHBondContact O-CG 3.2Å; N8-L12 PolarHBondContact O-N 2.92Å; D9-L12 PolarHBondContact O-N 3.02Å; L12-A14 PolarHBondContact O-N 3.36Å; L12-F15 WeakPolarHBondContact O-CB 3.35Å; L12-F15 PolarHBondContact O-N 2.93Å; L12-F16 VanDerWaalsContact O-CD2 3.29Å; L12-F16 WeakPolarHBondContact O-CD2 3.35Å; L12-F16 PolarHBondContact O-N 2.94Å; L12-F16 VanDerWaalsContact O-N 3.07Å; L12-C30 HydrophobicContact CD2-CB 4.35Å |
| 13 | S | 80.4 | Confident | 71.4 | Confident | 53 Ų | 53 | 75.1 Ų | 75.1 | 37% | 0.371 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 177.1 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | D9 E10 F15 F16 I17 | D9-S13 WeakPolarHBondContact O-CB 3.18Å; D9-S13 PolarHBondContact O-N 2.88Å; D9-S13 PolarHBondContact O-OG 3.03Å; E10-S13 PolarHBondContact O-N 3.29Å; S13-F15 VanDerWaalsContact C-N 3.31Å; S13-F15 PolarHBondContact O-N 2.7Å; S13-F16 PolarHBondContact O-N 2.83Å; S13-I17 WeakPolarHBondContact O-CG1 3.36Å; S13-I17 PolarHBondContact O-N 3.13Å; S13-I17 VanDerWaalsContact O-N 3.1Å |
| 14 | A | 80.7 | Confident | 72.6 | Confident | 39 Ų | 39 | 66.8 Ų | 66.8 | 32% | 0.322 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | E10 L12 I17 A18 F27 | E10-A14 WeakPolarHBondContact O-CB 3.05Å; E10-A14 PolarHBondContact O-N 3.23Å; L12-A14 PolarHBondContact O-N 3.36Å; A14-I17 PolarHBondContact O-N 2.9Å; A14-A18 WeakPolarHBondContact O-CB 3.22Å; A14-A18 PolarHBondContact O-N 2.88Å; A14-F27 HydrophobicContact CB-CE1 4.33Å; A14-F27 HydrophobicContact CB-CZ 4.22Å |
| 15 | F | 81.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 175.1 | 170.4 | -121.1 | 0 | 0 | 0 | 112.3 | N11 L12 S13 A18 V19 I24 F27 C30 V31 A41 | N11-F15 WeakPolarHBondContact O-CB 3.48Å; N11-F15 PolarHBondContact O-N 2.86Å; L12-F15 WeakPolarHBondContact O-CB 3.35Å; L12-F15 PolarHBondContact O-N 2.93Å; S13-F15 VanDerWaalsContact C-N 3.31Å; S13-F15 PolarHBondContact O-N 2.7Å; F15-A18 WeakPolarHBondContact O-CB 3.15Å; F15-A18 PolarHBondContact O-N 3.4Å; F15-V19 HydrophobicContact CD2-CG2 4.26Å; F15-V19 HydrophobicContact CE1-CG2 4.48Å; F15-V19 HydrophobicContact CE2-CG2 3.93Å; F15-V19 HydrophobicContact CZ-CG2 4.03Å; F15-V19 WeakPolarHBondContact O-CG2 3.18Å; F15-V19 PolarHBondContact O-N 3.19Å; F15-I24 HydrophobicContact CE2-CD1 3.56Å; F15-I24 HydrophobicContact CE2-CG1 3.86Å; F15-I24 HydrophobicContact CZ-CD1 4.12Å; F15-F27 HydrophobicContact CB-CB 4.31Å; F15-F27 HydrophobicContact CB-CD1 4.1Å; F15-F27 HydrophobicContact CB-CG 4.26Å; F15-F27 HydrophobicContact CD2-CB 3.22Å; F15-F27 AromaticContact CD2-CG 3.92Å; F15-F27 HydrophobicContact CD2-CG 3.92Å; F15-F27 HydrophobicContact CE2-CB 3.78Å; F15-F27 HydrophobicContact CG-CB 4.13Å; F15-C30 HydrophobicContact CB-CB 4.16Å; F15-C30 HydrophobicContact CD1-CB 3.51Å; F15-C30 HydrophobicContact CD2-CB 4.03Å; F15-C30 HydrophobicContact CE1-CB 3.78Å; F15-C30 WeakPolarHBondContact CE1-O 3.4Å; F15-C30 HydrophobicContact CE2-CB 4.22Å; F15-C30 HydrophobicContact CG-CB 3.62Å; F15-C30 HydrophobicContact CZ-CB 4.11Å; F15-V31 HydrophobicContact CZ-CG2 4.36Å; F15-A41 HydrophobicContact CE1-CB 3.7Å; F15-A41 HydrophobicContact CZ-CB 3.55Å |
| 16 | F | 78.1 | Confident | 73.9 | Confident | 14 Ų | 14 | 71.5 Ų | 71.5 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67 | -37.9 | 178.7 | -81.4 | -78 | 0 | 0 | 0 | 112.4 | L12 S13 A18 V19 E20 N35 F39 V44 | L12-F16 VanDerWaalsContact O-CD2 3.29Å; L12-F16 WeakPolarHBondContact O-CD2 3.35Å; L12-F16 PolarHBondContact O-N 2.94Å; L12-F16 VanDerWaalsContact O-N 3.07Å; S13-F16 PolarHBondContact O-N 2.83Å; F16-A18 VanDerWaalsContact C-N 3.3Å; F16-A18 PolarHBondContact O-N 3.21Å; F16-V19 WeakPolarHBondContact O-CB 3.35Å; F16-V19 PolarHBondContact O-N 2.95Å; F16-V19 VanDerWaalsContact O-N 3.15Å; F16-E20 WeakPolarHBondContact O-CG 3.28Å; F16-E20 PolarHBondContact O-N 3.01Å; F16-N35 HydrophobicContact CD1-CB 3.96Å; F16-N35 HydrophobicContact CD2-CB 3.75Å; F16-N35 HydrophobicContact CE1-CB 3.81Å; F16-N35 HydrophobicContact CE2-CB 3.62Å; F16-N35 HydrophobicContact CG-CB 3.94Å; F16-N35 HydrophobicContact CZ-CB 3.66Å; F16-F39 WeakPolarHBondContact CE1-O 2.75Å; F16-F39 VanDerWaalsContact CZ-O 3.29Å; F16-F39 WeakPolarHBondContact CZ-O 3.27Å; F16-V44 HydrophobicContact CD1-CG2 3.89Å; F16-V44 HydrophobicContact CE1-CG2 3.98Å |
| 17 | I | 82.1 | Confident | 74.5 | Confident | 79 Ų | 79 | 67.2 Ų | 67.2 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60 | -41.9 | 171.8 | -66.3 | 165.7 | 0 | 0 | 0 | 110.9 | S13 A14 V19 E20 Q21 | S13-I17 WeakPolarHBondContact O-CG1 3.36Å; S13-I17 PolarHBondContact O-N 3.13Å; S13-I17 VanDerWaalsContact O-N 3.1Å; A14-I17 PolarHBondContact O-N 2.9Å; I17-V19 VanDerWaalsContact C-N 3.32Å; I17-V19 PolarHBondContact O-N 2.87Å; I17-E20 WeakPolarHBondContact O-CB 3.39Å; I17-E20 PolarHBondContact O-N 3.32Å; I17-Q21 HydrophobicContact CG2-CG 4.44Å; I17-Q21 WeakPolarHBondContact O-CB 3.37Å; I17-Q21 VanDerWaalsContact O-CG 3.3Å; I17-Q21 WeakPolarHBondContact O-CG 3.39Å; I17-Q21 PolarHBondContact O-N 3.16Å |
| 18 | A | 81.3 | Confident | 74.7 | Confident | 8 Ų | 8 | 67.6 Ų | 67.6 | 7% | 0.066 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A14 F15 F16 Q21 G22 E23 F27 | A14-A18 WeakPolarHBondContact O-CB 3.22Å; A14-A18 PolarHBondContact O-N 2.88Å; F15-A18 WeakPolarHBondContact O-CB 3.15Å; F15-A18 PolarHBondContact O-N 3.4Å; F16-A18 VanDerWaalsContact C-N 3.3Å; F16-A18 PolarHBondContact O-N 3.21Å; A18-Q21 PolarHBondContact O-N 2.68Å; A18-G22 PolarHBondContact O-N 3.45Å; A18-E23 WeakPolarHBondContact CB-O 3.5Å; A18-E23 PolarHBondContact O-N 2.75Å; A18-F27 HydrophobicContact CB-CD2 4.03Å; A18-F27 HydrophobicContact CB-CE2 4.02Å |
| 19 | V | 78.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 172.8 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | F15 F16 I17 Q21 G22 I24 A41 V44 A45 | F15-V19 HydrophobicContact CD2-CG2 4.26Å; F15-V19 HydrophobicContact CE1-CG2 4.48Å; F15-V19 HydrophobicContact CE2-CG2 3.93Å; F15-V19 HydrophobicContact CZ-CG2 4.03Å; F15-V19 WeakPolarHBondContact O-CG2 3.18Å; F15-V19 PolarHBondContact O-N 3.19Å; F16-V19 WeakPolarHBondContact O-CB 3.35Å; F16-V19 PolarHBondContact O-N 2.95Å; F16-V19 VanDerWaalsContact O-N 3.15Å; I17-V19 VanDerWaalsContact C-N 3.32Å; I17-V19 PolarHBondContact O-N 2.87Å; V19-Q21 VanDerWaalsContact C-N 3.29Å; V19-Q21 PolarHBondContact O-N 3.04Å; V19-G22 PolarHBondContact O-N 3.43Å; V19-I24 HydrophobicContact CG2-CD1 4.3Å; V19-A41 WeakPolarHBondContact CG1-O 3.18Å; V19-A41 HydrophobicContact CG2-CB 3.9Å; V19-V44 HydrophobicContact CG1-CB 4.11Å; V19-V44 HydrophobicContact CG1-CG1 4.02Å; V19-A45 HydrophobicContact CG1-CB 4.17Å |
| 20 | E | 75.5 | Confident | 74.7 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 47% | 0.467 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 175.7 | -66.8 | 173.4 | 173 | 0 | 0 | 112.5 | F16 I17 V44 L48 R50 | F16-E20 WeakPolarHBondContact O-CG 3.28Å; F16-E20 PolarHBondContact O-N 3.01Å; I17-E20 WeakPolarHBondContact O-CB 3.39Å; I17-E20 PolarHBondContact O-N 3.32Å; E20-V44 HydrophobicContact CG-CG1 4Å; E20-L48 HydrophobicContact CB-CD1 4Å; E20-L48 HydrophobicContact CG-CD1 3.9Å; E20-R50 PolarHBondContact O-NE 2.93Å; E20-R50 PolarHBondContact O-NH2 2.8Å |
| 21 | Q | 79 | Confident | 74.5 | Confident | 117 Ų | 117 | 66.6 Ų | 66.6 | 55% | 0.547 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -81.6 | -19.1 | -179.9 | -69.3 | 176.6 | -1.6 | 0 | 0 | 113.7 | I17 A18 V19 | I17-Q21 HydrophobicContact CG2-CG 4.44Å; I17-Q21 WeakPolarHBondContact O-CB 3.37Å; I17-Q21 VanDerWaalsContact O-CG 3.3Å; I17-Q21 WeakPolarHBondContact O-CG 3.39Å; I17-Q21 PolarHBondContact O-N 3.16Å; A18-Q21 PolarHBondContact O-N 2.68Å; V19-Q21 VanDerWaalsContact C-N 3.29Å; V19-Q21 PolarHBondContact O-N 3.04Å |
| 22 | G | 73.6 | Confident | 74.2 | Confident | 30 Ų | 30 | 68 Ų | 68 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 19.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A18 V19 M53 | A18-G22 PolarHBondContact O-N 3.45Å; V19-G22 PolarHBondContact O-N 3.43Å; G22-M53 VanDerWaalsContact C-SD 3.57Å |
| 23 | E | 77.7 | Confident | 74.2 | Confident | 138 Ų | 138 | 67.3 Ų | 67.3 | 65% | 0.645 | 36% | 0.363 | S | S | * | . | trans | -122 | 76.7 | -170.2 | -65.3 | -166.8 | -175.4 | 0 | 0 | 113.5 | A18 G25 | A18-E23 WeakPolarHBondContact CB-O 3.5Å; A18-E23 PolarHBondContact O-N 2.75Å; E23-G25 PolarHBondContact O-N 3.04Å | ||
| 24 | I | 67.8 | Low | 74 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 8% | 0.082 | 37% | 0.367 | C | S | . | . | trans | -96.9 | 47.9 | -177 | -158.1 | 168.9 | 0 | 0 | 0 | 113.8 | F15 V19 V31 M53 L56 L57 | F15-I24 HydrophobicContact CE2-CD1 3.56Å; F15-I24 HydrophobicContact CE2-CG1 3.86Å; F15-I24 HydrophobicContact CZ-CD1 4.12Å; V19-I24 HydrophobicContact CG2-CD1 4.3Å; I24-V31 HydrophobicContact CD1-CG2 4.37Å; I24-M53 HydrophobicContact CB-CE 3.85Å; I24-M53 HydrophobicContact CB-SD 4.48Å; I24-M53 HydrophobicContact CG2-CE 4.03Å; I24-M53 HydrophobicContact CG2-SD 4.05Å; I24-L56 HydrophobicContact CG2-CD2 3.19Å; I24-L56 HydrophobicContact CG2-CG 4.49Å; I24-L57 HydrophobicContact CD1-CD2 3.47Å; I24-L57 VanDerWaalsContact CD1-CD2 3.47Å; I24-L57 HydrophobicContact CD1-CG 4.37Å | ||
| 25 | G | 66.2 | Low | 73.5 | Confident | 65 Ų | 65 | 68.2 Ų | 68.2 | 67% | 0.67 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -71.4 | -46.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E23 | E23-G25 PolarHBondContact O-N 3.04Š|
| 26 | K | 67.6 | Low | 72.8 | Confident | 197 Ų | 197 | 78.8 Ų | 78.8 | 86% | 0.857 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -106.4 | -3.6 | -168.7 | -66.4 | -179.7 | -177.8 | 173.6 | 0 | 114.7 | ||
| 27 | F | 67.1 | Low | 71.9 | Confident | 55 Ų | 55 | 83 Ų | 83 | 24% | 0.241 | 42% | 0.423 | C | S | . | . | trans | -111.3 | 20.8 | -164.9 | -60 | -79.1 | 0 | 0 | 0 | 114.8 | A14 F15 A18 R29 C30 | A14-F27 HydrophobicContact CB-CE1 4.33Å; A14-F27 HydrophobicContact CB-CZ 4.22Å; F15-F27 HydrophobicContact CB-CB 4.31Å; F15-F27 HydrophobicContact CB-CD1 4.1Å; F15-F27 HydrophobicContact CB-CG 4.26Å; F15-F27 HydrophobicContact CD2-CB 3.22Å; F15-F27 AromaticContact CD2-CG 3.92Å; F15-F27 HydrophobicContact CD2-CG 3.92Å; F15-F27 HydrophobicContact CE2-CB 3.78Å; F15-F27 HydrophobicContact CG-CB 4.13Å; A18-F27 HydrophobicContact CB-CD2 4.03Å; A18-F27 HydrophobicContact CB-CE2 4.02Å; F27-R29 PolarHBondContact O-N 2.79Å; F27-C30 PolarHBondContact O-N 3.45Å | ||
| 28 | I | 66.5 | Low | 71.1 | Confident | 76 Ų | 76 | 80.3 Ų | 80.3 | 39% | 0.39 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -54 | -27.4 | -179.6 | -62.1 | 165.8 | 0 | 0 | 0 | 112.4 | C30 V31 Y60 | I28-C30 VanDerWaalsContact C-N 3.28Å; I28-C30 PolarHBondContact O-N 3.41Å; I28-V31 WeakPolarHBondContact O-CB 3.48Å; I28-V31 WeakPolarHBondContact O-CG2 3.26Å; I28-Y60 HydrophobicContact CD1-CE1 3.7Å; I28-Y60 HydrophobicContact CG1-CD1 4.45Å; I28-Y60 HydrophobicContact CG1-CE1 3.99Å; I28-Y60 HydrophobicContact CG2-CD1 3.68Å; I28-Y60 HydrophobicContact CG2-CE1 3.83Å; I28-Y60 HydrophobicContact CG2-CG 4.46Å |
| 29 | R | 68.1 | Low | 70.4 | Confident | 245 Ų | 245 | 81.1 Ų | 81.1 | 93% | 0.925 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -70.9 | -17.5 | 178.4 | -68.8 | -175.4 | 176.3 | 178.6 | -0.9 | 114.7 | F27 | F27-R29 PolarHBondContact O-N 2.79Š|
| 30 | C | 69.5 | Low | 70.4 | Confident | 24 Ų | 24 | 81.6 Ų | 81.6 | 16% | 0.162 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -99.4 | 3.8 | -176.4 | -63.9 | 0 | 0 | 0 | 0 | 113.1 | L12 F15 F27 I28 S32 S33 | L12-C30 HydrophobicContact CD2-CB 4.35Å; F15-C30 HydrophobicContact CB-CB 4.16Å; F15-C30 HydrophobicContact CD1-CB 3.51Å; F15-C30 HydrophobicContact CD2-CB 4.03Å; F15-C30 HydrophobicContact CE1-CB 3.78Å; F15-C30 WeakPolarHBondContact CE1-O 3.4Å; F15-C30 HydrophobicContact CE2-CB 4.22Å; F15-C30 HydrophobicContact CG-CB 3.62Å; F15-C30 HydrophobicContact CZ-CB 4.11Å; F27-C30 PolarHBondContact O-N 3.45Å; I28-C30 VanDerWaalsContact C-N 3.28Å; I28-C30 PolarHBondContact O-N 3.41Å; C30-S32 VanDerWaalsContact C-N 3.26Å; C30-S32 PolarHBondContact O-N 2.82Å; C30-S33 WeakPolarHBondContact O-CB 3.32Å; C30-S33 PolarHBondContact O-N 2.97Å; C30-S33 PolarHBondContact O-OG 3.15Å |
| 31 | V | 71 | Confident | 70.6 | Confident | 11 Ų | 11 | 76.8 Ų | 76.8 | 7% | 0.067 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -31.2 | -170.8 | 172 | 0 | 0 | 0 | 0 | 113.6 | F15 I24 I28 L57 C62 | F15-V31 HydrophobicContact CZ-CG2 4.36Å; I24-V31 HydrophobicContact CD1-CG2 4.37Å; I28-V31 WeakPolarHBondContact O-CB 3.48Å; I28-V31 WeakPolarHBondContact O-CG2 3.26Å; V31-L57 HydrophobicContact CG1-CD2 4.15Å; V31-L57 HydrophobicContact CG2-CD2 4.37Å; V31-C62 HydrophobicContact CG1-CB 4.42Å; V31-C62 WeakPolarHBondContact CG1-SG 3.13Å; V31-C62 PolarHBondContact O-SG 3.26Å; V31-C62 VanDerWaalsContact O-SG 3.36Å |
| 32 | S | 70.7 | Confident | 70.6 | Confident | 114 Ų | 114 | 71.5 Ų | 71.5 | 80% | 0.797 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 2.5 | 175.2 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | C30 | C30-S32 VanDerWaalsContact C-N 3.26Å; C30-S32 PolarHBondContact O-N 2.82Å |
| 33 | S | 77 | Confident | 70.4 | Confident | 33 Ų | 33 | 70 Ų | 70 | 23% | 0.231 | 36% | 0.359 | C | S | . | . | trans | -83.2 | 152.9 | -179.2 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | C30 | C30-S33 WeakPolarHBondContact O-CB 3.32Å; C30-S33 PolarHBondContact O-N 2.97Å; C30-S33 PolarHBondContact O-OG 3.15Å | ||
| 34 | V | 75.8 | Confident | 70.2 | Confident | 75 Ų | 75 | 63.9 Ų | 63.9 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -108.2 | 149.8 | 172.8 | -64.4 | 0 | 0 | 0 | 0 | 110.9 | F39 | V34-F39 CarbonylContact C-O 3.56Å; V34-F39 VanDerWaalsContact CA-O 3.24Å; V34-F39 WeakPolarHBondContact CA-O 3.5Å |
| 35 | N | 68.8 | Low | 70.6 | Confident | 36 Ų | 36 | 63.1 Ų | 63.1 | 19% | 0.193 | 33% | 0.327 | C | S | . | . | trans | -75.8 | -178.4 | 174.2 | 78 | -6.7 | 0 | 0 | 0 | 110.9 | F16 D37 G38 F39 | F16-N35 HydrophobicContact CD1-CB 3.96Å; F16-N35 HydrophobicContact CD2-CB 3.75Å; F16-N35 HydrophobicContact CE1-CB 3.81Å; F16-N35 HydrophobicContact CE2-CB 3.62Å; F16-N35 HydrophobicContact CG-CB 3.94Å; F16-N35 HydrophobicContact CZ-CB 3.66Å; N35-D37 PolarHBondContact ND2-OD2 3.27Å; N35-D37 PolarHBondContact O-N 3.37Å; N35-D37 VanDerWaalsContact O-N 3.15Å; N35-D37 WeakPolarHBondContact OD1-CA 3.48Å; N35-D37 WeakPolarHBondContact OD1-CB 3.47Å; N35-D37 PolarHBondContact OD1-N 2.8Å; N35-G38 PolarHBondContact O-N 3.33Å; N35-G38 PolarHBondContact OD1-N 3.16Å; N35-F39 PolarHBondContact N-O 3.25Å; N35-F39 PolarHBondContact OD1-N 2.8Å | ||
| 36 | R | 68.3 | Low | 70.9 | Confident | 221 Ų | 221 | 62.6 Ų | 62.6 | 83% | 0.834 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.3 | 178.3 | -67.6 | -176.3 | -176.7 | 173.3 | 3.3 | 113.8 | ||
| 37 | D | 58.6 | Low | 70.8 | Confident | 103 Ų | 103 | 55.8 Ų | 55.8 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -1.5 | -178.8 | -48.3 | -51.2 | 0 | 0 | 0 | 112.3 | N35 F39 | N35-D37 PolarHBondContact ND2-OD2 3.27Å; N35-D37 PolarHBondContact O-N 3.37Å; N35-D37 VanDerWaalsContact O-N 3.15Å; N35-D37 WeakPolarHBondContact OD1-CA 3.48Å; N35-D37 WeakPolarHBondContact OD1-CB 3.47Å; N35-D37 PolarHBondContact OD1-N 2.8Å; D37-F39 HydrophobicContact CB-CD2 3.61Å; D37-F39 HydrophobicContact CB-CE2 3.69Å |
| 38 | G | 64.5 | Low | 71.1 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 24% | 0.237 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 86.5 | 11.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | N35 K100 | N35-G38 PolarHBondContact O-N 3.33Å; N35-G38 PolarHBondContact OD1-N 3.16Å; G38-K100 VanDerWaalsContact O-CE 3.24Å; G38-K100 WeakPolarHBondContact O-CE 3.3Å |
| 39 | F | 67.8 | Low | 71.1 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | trans | -86.8 | 132.3 | 176.5 | -62.5 | -64.1 | 0 | 0 | 0 | 111.8 | F16 V34 N35 D37 D43 V44 M47 P96 K100 | F16-F39 WeakPolarHBondContact CE1-O 2.75Å; F16-F39 VanDerWaalsContact CZ-O 3.29Å; F16-F39 WeakPolarHBondContact CZ-O 3.27Å; V34-F39 CarbonylContact C-O 3.56Å; V34-F39 VanDerWaalsContact CA-O 3.24Å; V34-F39 WeakPolarHBondContact CA-O 3.5Å; N35-F39 PolarHBondContact N-O 3.25Å; N35-F39 PolarHBondContact OD1-N 2.8Å; D37-F39 HydrophobicContact CB-CD2 3.61Å; D37-F39 HydrophobicContact CB-CE2 3.69Å; F39-D43 HydrophobicContact CB-CB 4.04Å; F39-D43 HydrophobicContact CD1-CB 4.01Å; F39-D43 HydrophobicContact CG-CB 4.47Å; F39-V44 HydrophobicContact CB-CG2 4.03Å; F39-M47 HydrophobicContact CB-CE 4.49Å; F39-M47 HydrophobicContact CD1-CE 3.99Å; F39-M47 HydrophobicContact CD2-CE 4.15Å; F39-M47 HydrophobicContact CE1-CE 4.19Å; F39-M47 HydrophobicContact CE1-SD 4.25Å; F39-M47 HydrophobicContact CE2-CE 4.36Å; F39-M47 HydrophobicContact CG-CE 3.96Å; F39-M47 HydrophobicContact CZ-CE 4.36Å; F39-M47 HydrophobicContact CZ-SD 4.37Å; F39-P96 HydrophobicContact CE1-CB 4.34Å; F39-P96 HydrophobicContact CE2-CB 4.13Å; F39-P96 HydrophobicContact CZ-CB 3.5Å; F39-P96 VanDerWaalsContact CZ-CB 3.5Å; F39-K100 HydrophobicContact CD1-CG 3.81Å; F39-K100 HydrophobicContact CE1-CG 3.89Å; F39-K100 WeakPolarHBondContact CE1-O 3.26Å | ||
| 40 | S | 77.2 | Confident | 71.4 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -72 | 164.5 | 167 | 73.5 | 0 | 0 | 0 | 0 | 111 | L42 D43 V44 | S40-L42 PolarHBondContact O-N 3.25Å; S40-L42 PolarHBondContact OG-N 3.28Å; S40-D43 WeakPolarHBondContact CB-OD2 3.48Å; S40-D43 PolarHBondContact N-OD2 2.96Å; S40-D43 WeakPolarHBondContact O-CB 3.48Å; S40-D43 PolarHBondContact O-N 3.41Å; S40-D43 VanDerWaalsContact O-N 3.13Å; S40-D43 PolarHBondContact OG-N 2.99Å; S40-D43 VanDerWaalsContact OG-N 3.16Å; S40-D43 PolarHBondContact OG-OD1 3.14Å; S40-D43 PolarHBondContact OG-OD2 2.74Å; S40-V44 PolarHBondContact O-N 2.89Å; S40-V44 VanDerWaalsContact O-N 3.15Å |
| 41 | A | 79.7 | Confident | 71.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.5 | -36.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | F15 V19 D43 V44 A45 L57 | F15-A41 HydrophobicContact CE1-CB 3.7Å; F15-A41 HydrophobicContact CZ-CB 3.55Å; V19-A41 WeakPolarHBondContact CG1-O 3.18Å; V19-A41 HydrophobicContact CG2-CB 3.9Å; A41-D43 VanDerWaalsContact C-N 3.33Å; A41-V44 PolarHBondContact O-N 3.42Å; A41-A45 WeakPolarHBondContact O-CB 3.4Å; A41-A45 PolarHBondContact O-N 3.24Å; A41-L57 HydrophobicContact CB-CD1 4.06Å; A41-L57 HydrophobicContact CB-CD2 3.87Å; A41-L57 WeakPolarHBondContact O-CD1 3.26Å |
| 42 | L | 78.4 | Confident | 72.2 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66 | -38.2 | 177.7 | -177.3 | 62.2 | 0 | 0 | 0 | 111.3 | S40 T46 L57 L58 C62 E64 | S40-L42 PolarHBondContact O-N 3.25Å; S40-L42 PolarHBondContact OG-N 3.28Å; L42-T46 VanDerWaalsContact O-CB 3.3Å; L42-T46 WeakPolarHBondContact O-CB 3.16Å; L42-T46 PolarHBondContact O-N 2.8Å; L42-T46 PolarHBondContact O-OG1 2.8Å; L42-L57 HydrophobicContact CB-CD1 4.48Å; L42-L57 HydrophobicContact CD1-CB 4.07Å; L42-L58 HydrophobicContact CD1-CD2 4.42Å; L42-L58 HydrophobicContact CD1-CG 4.09Å; L42-L58 HydrophobicContact CD2-CD2 3.76Å; L42-L58 HydrophobicContact CD2-CG 4.33Å; L42-C62 HydrophobicContact CB-CB 4.04Å; L42-C62 HydrophobicContact CD2-CB 3.99Å; L42-E64 HydrophobicContact CD2-CG 4.23Å |
| 43 | D | 70 | Confident | 72.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 175.8 | -55.9 | -33.2 | 0 | 0 | 0 | 110.2 | F39 S40 A41 T46 M47 K100 Y101 | F39-D43 HydrophobicContact CB-CB 4.04Å; F39-D43 HydrophobicContact CD1-CB 4.01Å; F39-D43 HydrophobicContact CG-CB 4.47Å; S40-D43 WeakPolarHBondContact CB-OD2 3.48Å; S40-D43 PolarHBondContact N-OD2 2.96Å; S40-D43 WeakPolarHBondContact O-CB 3.48Å; S40-D43 PolarHBondContact O-N 3.41Å; S40-D43 VanDerWaalsContact O-N 3.13Å; S40-D43 PolarHBondContact OG-N 2.99Å; S40-D43 VanDerWaalsContact OG-N 3.16Å; S40-D43 PolarHBondContact OG-OD1 3.14Å; S40-D43 PolarHBondContact OG-OD2 2.74Å; A41-D43 VanDerWaalsContact C-N 3.33Å; D43-T46 PolarHBondContact O-N 2.92Å; D43-M47 WeakPolarHBondContact O-CB 3.31Å; D43-M47 VanDerWaalsContact O-CG 3.32Å; D43-M47 WeakPolarHBondContact O-CG 3.26Å; D43-M47 PolarHBondContact O-N 2.87Å; D43-K100 IonicContact OD1-NZ 3.36Å; D43-K100 WeakPolarHBondContact OD2-CD 3.25Å; D43-K100 WeakPolarHBondContact OD2-CE 3.42Å; D43-K100 IonicContact OD2-NZ 3.36Å; D43-K100 PolarHBondContact OD2-NZ 3.03Å; D43-Y101 PolarHBondContact OD1-OH 3.02Å |
| 44 | V | 72.7 | Confident | 72.7 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 179.9 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | F16 V19 E20 F39 S40 A41 T46 M47 L48 | F16-V44 HydrophobicContact CD1-CG2 3.89Å; F16-V44 HydrophobicContact CE1-CG2 3.98Å; V19-V44 HydrophobicContact CG1-CB 4.11Å; V19-V44 HydrophobicContact CG1-CG1 4.02Å; E20-V44 HydrophobicContact CG-CG1 4Å; F39-V44 HydrophobicContact CB-CG2 4.03Å; S40-V44 PolarHBondContact O-N 2.89Å; S40-V44 VanDerWaalsContact O-N 3.15Å; A41-V44 PolarHBondContact O-N 3.42Å; V44-T46 VanDerWaalsContact C-N 3.29Å; V44-T46 PolarHBondContact O-N 2.88Å; V44-M47 HydrophobicContact CB-CE 4.49Å; V44-M47 HydrophobicContact CG2-CE 4.09Å; V44-M47 PolarHBondContact O-N 3.46Å; V44-L48 HydrophobicContact CG1-CD1 3.89Å; V44-L48 WeakPolarHBondContact O-CB 3.37Å; V44-L48 VanDerWaalsContact O-CG 3.31Å; V44-L48 WeakPolarHBondContact O-CG 3.32Å; V44-L48 PolarHBondContact O-N 3.47Å |
| 45 | A | 76.7 | Confident | 72.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V19 A41 L48 N49 R50 M53 L57 | V19-A45 HydrophobicContact CG1-CB 4.17Å; A41-A45 WeakPolarHBondContact O-CB 3.4Å; A41-A45 PolarHBondContact O-N 3.24Å; A45-L48 PolarHBondContact O-N 3.01Å; A45-N49 PolarHBondContact O-N 3.44Å; A45-R50 HydrophobicContact CB-CB 4.48Å; A45-R50 PolarHBondContact O-N 2.9Å; A45-M53 HydrophobicContact CB-CB 3.99Å; A45-L57 HydrophobicContact CB-CD1 3.75Å |
| 46 | T | 72.1 | Confident | 73.4 | Confident | 54 Ų | 54 | 61.1 Ų | 61.1 | 33% | 0.331 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.9 | -42.4 | 180 | -55 | 0 | 0 | 0 | 0 | 111.8 | L42 D43 V44 L48 N49 S54 Y101 | L42-T46 VanDerWaalsContact O-CB 3.3Å; L42-T46 WeakPolarHBondContact O-CB 3.16Å; L42-T46 PolarHBondContact O-N 2.8Å; L42-T46 PolarHBondContact O-OG1 2.8Å; D43-T46 PolarHBondContact O-N 2.92Å; V44-T46 VanDerWaalsContact C-N 3.29Å; V44-T46 PolarHBondContact O-N 2.88Å; T46-L48 VanDerWaalsContact C-N 3.28Å; T46-L48 PolarHBondContact O-N 2.88Å; T46-N49 PolarHBondContact O-N 3.36Å; T46-S54 PolarHBondContact OG1-OG 2.81Å; T46-Y101 HydrophobicContact CG2-CD1 3.89Å; T46-Y101 HydrophobicContact CG2-CE1 3.84Å |
| 47 | M | 66 | Low | 74.1 | Confident | 54 Ų | 54 | 50.6 Ų | 50.6 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 175.9 | -75.3 | -171.4 | -66.3 | 0 | 0 | 112.3 | F39 D43 V44 N49 K102 | F39-M47 HydrophobicContact CB-CE 4.49Å; F39-M47 HydrophobicContact CD1-CE 3.99Å; F39-M47 HydrophobicContact CD2-CE 4.15Å; F39-M47 HydrophobicContact CE1-CE 4.19Å; F39-M47 HydrophobicContact CE1-SD 4.25Å; F39-M47 HydrophobicContact CE2-CE 4.36Å; F39-M47 HydrophobicContact CG-CE 3.96Å; F39-M47 HydrophobicContact CZ-CE 4.36Å; F39-M47 HydrophobicContact CZ-SD 4.37Å; D43-M47 WeakPolarHBondContact O-CB 3.31Å; D43-M47 VanDerWaalsContact O-CG 3.32Å; D43-M47 WeakPolarHBondContact O-CG 3.26Å; D43-M47 PolarHBondContact O-N 2.87Å; V44-M47 HydrophobicContact CB-CE 4.49Å; V44-M47 HydrophobicContact CG2-CE 4.09Å; V44-M47 PolarHBondContact O-N 3.46Å; M47-N49 PolarHBondContact O-N 3.36Å; M47-K102 WeakPolarHBondContact O-CE 3.47Å |
| 48 | L | 73.2 | Confident | 75.1 | Confident | 86 Ų | 86 | 49.4 Ų | 49.4 | 45% | 0.45 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 2.1 | 177.6 | -63.9 | 174.7 | 0 | 0 | 0 | 113.8 | E20 V44 A45 T46 R50 | E20-L48 HydrophobicContact CB-CD1 4Å; E20-L48 HydrophobicContact CG-CD1 3.9Å; V44-L48 HydrophobicContact CG1-CD1 3.89Å; V44-L48 WeakPolarHBondContact O-CB 3.37Å; V44-L48 VanDerWaalsContact O-CG 3.31Å; V44-L48 WeakPolarHBondContact O-CG 3.32Å; V44-L48 PolarHBondContact O-N 3.47Å; A45-L48 PolarHBondContact O-N 3.01Å; T46-L48 VanDerWaalsContact C-N 3.28Å; T46-L48 PolarHBondContact O-N 2.88Å; L48-R50 HydrophobicContact CB-CG 3.83Å; L48-R50 PolarHBondContact O-N 2.91Å |
| 49 | N | 66.4 | Low | 75.8 | Confident | 94 Ų | 94 | 57.6 Ų | 57.6 | 50% | 0.503 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 33.9 | -178.3 | -155.2 | 62.2 | 0 | 0 | 0 | 113.3 | A45 T46 M47 H51 | A45-N49 PolarHBondContact O-N 3.44Å; T46-N49 PolarHBondContact O-N 3.36Å; M47-N49 PolarHBondContact O-N 3.36Å; N49-H51 PolarHBondContact ND2-NE2 2.84Å; N49-H51 PolarHBondContact O-N 2.67Å; N49-H51 PolarHBondContact OD1-CE1 2.95Å; N49-H51 PolarHBondContact OD1-NE2 2.88Å |
| 50 | R | 76.1 | Confident | 76.4 | Confident | 113 Ų | 113 | 62 Ų | 62 | 43% | 0.426 | 29% | 0.289 | S | S | . | . | trans | -87.9 | 74.2 | 178 | -64.1 | -76.5 | -165.1 | -179 | 4.1 | 109.7 | E20 A45 L48 E52 M53 S54 | E20-R50 PolarHBondContact O-NE 2.93Å; E20-R50 PolarHBondContact O-NH2 2.8Å; A45-R50 HydrophobicContact CB-CB 4.48Å; A45-R50 PolarHBondContact O-N 2.9Å; L48-R50 HydrophobicContact CB-CG 3.83Å; L48-R50 PolarHBondContact O-N 2.91Å; R50-E52 PolarHBondContact O-N 3.11Å; R50-M53 HydrophobicContact CB-CB 3.92Å; R50-M53 HydrophobicContact CB-CG 4.19Å; R50-M53 WeakPolarHBondContact O-CB 3.4Å; R50-M53 PolarHBondContact O-N 2.84Å; R50-S54 PolarHBondContact O-N 3.02Å; R50-S54 PolarHBondContact O-OG 3.06Å | ||
| 51 | H | 75.7 | Confident | 76.2 | Confident | 126 Ų | 126 | 64.2 Ų | 64.2 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -55.2 | -44.3 | -172.4 | -59.5 | -65.1 | 0 | 0 | 0 | 114.3 | N49 M53 S54 E55 | N49-H51 PolarHBondContact ND2-NE2 2.84Å; N49-H51 PolarHBondContact O-N 2.67Å; N49-H51 PolarHBondContact OD1-CE1 2.95Å; N49-H51 PolarHBondContact OD1-NE2 2.88Å; H51-M53 VanDerWaalsContact C-N 3.28Å; H51-M53 PolarHBondContact O-N 3.3Å; H51-S54 PolarHBondContact O-N 2.74Å; H51-E55 PolarHBondContact O-N 3.41Å |
| 52 | E | 80.1 | Confident | 75.9 | Confident | 170 Ų | 170 | 64.9 Ų | 64.9 | 79% | 0.794 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.8 | -38.3 | 178 | -65.2 | 176.8 | 179.9 | 0 | 0 | 112 | R50 L56 | R50-E52 PolarHBondContact O-N 3.11Å; E52-L56 VanDerWaalsContact O-CB 3.26Å; E52-L56 WeakPolarHBondContact O-CB 3.35Å; E52-L56 PolarHBondContact O-N 3.08Å |
| 53 | M | 79.7 | Confident | 75.4 | Confident | 16 Ų | 16 | 71.7 Ų | 71.7 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.1 | -41.6 | 177 | -71.7 | -72.2 | -82.2 | 0 | 0 | 111.5 | G22 I24 A45 R50 H51 E55 L56 L57 | G22-M53 VanDerWaalsContact C-SD 3.57Å; I24-M53 HydrophobicContact CB-CE 3.85Å; I24-M53 HydrophobicContact CB-SD 4.48Å; I24-M53 HydrophobicContact CG2-CE 4.03Å; I24-M53 HydrophobicContact CG2-SD 4.05Å; A45-M53 HydrophobicContact CB-CB 3.99Å; R50-M53 HydrophobicContact CB-CB 3.92Å; R50-M53 HydrophobicContact CB-CG 4.19Å; R50-M53 WeakPolarHBondContact O-CB 3.4Å; R50-M53 PolarHBondContact O-N 2.84Å; H51-M53 VanDerWaalsContact C-N 3.28Å; H51-M53 PolarHBondContact O-N 3.3Å; M53-E55 VanDerWaalsContact C-N 3.34Å; M53-E55 PolarHBondContact O-N 2.88Å; M53-L56 PolarHBondContact O-N 2.9Å; M53-L57 VanDerWaalsContact O-CB 3.31Å; M53-L57 WeakPolarHBondContact O-CB 3.45Å; M53-L57 WeakPolarHBondContact O-CD1 3.44Å; M53-L57 WeakPolarHBondContact O-CG 3.39Å; M53-L57 PolarHBondContact O-N 2.95Å |
| 54 | S | 78.7 | Confident | 75.2 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 11% | 0.105 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 174.6 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | T46 R50 H51 L56 L57 L58 | T46-S54 PolarHBondContact OG1-OG 2.81Å; R50-S54 PolarHBondContact O-N 3.02Å; R50-S54 PolarHBondContact O-OG 3.06Å; H51-S54 PolarHBondContact O-N 2.74Å; S54-L56 PolarHBondContact O-N 3.05Å; S54-L57 PolarHBondContact O-N 3.42Å; S54-L58 VanDerWaalsContact O-CG 3.26Å; S54-L58 WeakPolarHBondContact O-CG 3.38Å; S54-L58 PolarHBondContact O-N 2.76Å |
| 55 | E | 77.4 | Confident | 74.4 | Confident | 100 Ų | 100 | 79.4 Ų | 79.4 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 176.6 | -170 | -173.9 | 165.4 | 0 | 0 | 111.6 | H51 M53 L58 R59 | H51-E55 PolarHBondContact O-N 3.41Å; M53-E55 VanDerWaalsContact C-N 3.34Å; M53-E55 PolarHBondContact O-N 2.88Å; E55-L58 WeakPolarHBondContact O-CB 3.32Å; E55-L58 PolarHBondContact O-N 3.42Å; E55-R59 WeakPolarHBondContact O-CG 3.44Å; E55-R59 PolarHBondContact O-N 2.79Å; E55-R59 IonicContact OE1-CZ 3.98Å; E55-R59 IonicContact OE1-NE 2.65Å; E55-R59 PolarHBondContact OE1-NE 2.82Å; E55-R59 IonicContact OE1-NH2 3.09Å; E55-R59 PolarHBondContact OE1-NH2 2.82Å |
| 56 | L | 81.7 | Confident | 73.4 | Confident | 60 Ų | 60 | 80.2 Ų | 80.2 | 31% | 0.314 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 179.5 | -178 | 143.8 | 0 | 0 | 0 | 111.6 | I24 E52 M53 S54 L58 R59 Y60 | I24-L56 HydrophobicContact CG2-CD2 3.19Å; I24-L56 HydrophobicContact CG2-CG 4.49Å; E52-L56 VanDerWaalsContact O-CB 3.26Å; E52-L56 WeakPolarHBondContact O-CB 3.35Å; E52-L56 PolarHBondContact O-N 3.08Å; M53-L56 PolarHBondContact O-N 2.9Å; S54-L56 PolarHBondContact O-N 3.05Å; L56-L58 PolarHBondContact O-N 3.46Å; L56-R59 WeakPolarHBondContact O-CB 3.36Å; L56-R59 PolarHBondContact O-N 3.38Å; L56-Y60 HydrophobicContact CD1-CE2 4.3Å; L56-Y60 HydrophobicContact CD2-CD2 3.59Å; L56-Y60 HydrophobicContact CD2-CE2 3.55Å; L56-Y60 HydrophobicContact CG-CD2 3.93Å; L56-Y60 HydrophobicContact CG-CE2 3.72Å; L56-Y60 WeakPolarHBondContact O-CD2 3.46Å; L56-Y60 PolarHBondContact O-N 3.21Å |
| 57 | L | 82.6 | Confident | 72.5 | Confident | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.3 | -74.7 | 166.4 | 0 | 0 | 0 | 111.9 | I24 V31 A41 L42 A45 M53 S54 R59 Y60 G61 C62 | I24-L57 HydrophobicContact CD1-CD2 3.47Å; I24-L57 VanDerWaalsContact CD1-CD2 3.47Å; I24-L57 HydrophobicContact CD1-CG 4.37Å; V31-L57 HydrophobicContact CG1-CD2 4.15Å; V31-L57 HydrophobicContact CG2-CD2 4.37Å; A41-L57 HydrophobicContact CB-CD1 4.06Å; A41-L57 HydrophobicContact CB-CD2 3.87Å; A41-L57 WeakPolarHBondContact O-CD1 3.26Å; L42-L57 HydrophobicContact CB-CD1 4.48Å; L42-L57 HydrophobicContact CD1-CB 4.07Å; A45-L57 HydrophobicContact CB-CD1 3.75Å; M53-L57 VanDerWaalsContact O-CB 3.31Å; M53-L57 WeakPolarHBondContact O-CB 3.45Å; M53-L57 WeakPolarHBondContact O-CD1 3.44Å; M53-L57 WeakPolarHBondContact O-CG 3.39Å; M53-L57 PolarHBondContact O-N 2.95Å; S54-L57 PolarHBondContact O-N 3.42Å; L57-R59 VanDerWaalsContact C-N 3.35Å; L57-R59 PolarHBondContact O-N 2.95Å; L57-Y60 PolarHBondContact O-N 3.42Å; L57-G61 PolarHBondContact O-N 2.92Å; L57-C62 HydrophobicContact CB-CB 4.22Å; L57-C62 VanDerWaalsContact O-CB 3.31Å; L57-C62 WeakPolarHBondContact O-CB 3.45Å; L57-C62 PolarHBondContact O-N 2.91Å |
| 58 | L | 80.8 | Confident | 72.4 | Confident | 78 Ų | 78 | 86.7 Ų | 86.7 | 41% | 0.408 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.7 | -43 | 173.3 | -72.4 | 167.7 | 0 | 0 | 0 | 111.5 | L42 S54 E55 L56 Y60 G61 E64 | L42-L58 HydrophobicContact CD1-CD2 4.42Å; L42-L58 HydrophobicContact CD1-CG 4.09Å; L42-L58 HydrophobicContact CD2-CD2 3.76Å; L42-L58 HydrophobicContact CD2-CG 4.33Å; S54-L58 VanDerWaalsContact O-CG 3.26Å; S54-L58 WeakPolarHBondContact O-CG 3.38Å; S54-L58 PolarHBondContact O-N 2.76Å; E55-L58 WeakPolarHBondContact O-CB 3.32Å; E55-L58 PolarHBondContact O-N 3.42Å; L56-L58 PolarHBondContact O-N 3.46Å; L58-Y60 VanDerWaalsContact C-N 3.27Å; L58-Y60 PolarHBondContact O-N 2.86Å; L58-G61 PolarHBondContact O-N 3.42Å; L58-E64 HydrophobicContact CD2-CG 4.31Å |
| 59 | R | 78.8 | Confident | 72.1 | Confident | 195 Ų | 195 | 85.5 Ų | 85.5 | 74% | 0.736 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -62.8 | -31.4 | 175.4 | -71.3 | -179.8 | -175.3 | -161.5 | 4 | 113.1 | E55 L56 L57 G61 | E55-R59 WeakPolarHBondContact O-CG 3.44Å; E55-R59 PolarHBondContact O-N 2.79Å; E55-R59 IonicContact OE1-CZ 3.98Å; E55-R59 IonicContact OE1-NE 2.65Å; E55-R59 PolarHBondContact OE1-NE 2.82Å; E55-R59 IonicContact OE1-NH2 3.09Å; E55-R59 PolarHBondContact OE1-NH2 2.82Å; L56-R59 WeakPolarHBondContact O-CB 3.36Å; L56-R59 PolarHBondContact O-N 3.38Å; L57-R59 VanDerWaalsContact C-N 3.35Å; L57-R59 PolarHBondContact O-N 2.95Å; R59-G61 PolarHBondContact O-N 3.42Å |
| 60 | Y | 81.6 | Confident | 72.3 | Confident | 117 Ų | 117 | 81.7 Ų | 81.7 | 46% | 0.459 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 3.4 | 175.1 | -79.6 | -71.6 | 0 | 0 | 0 | 114 | I28 L56 L57 L58 | I28-Y60 HydrophobicContact CD1-CE1 3.7Å; I28-Y60 HydrophobicContact CG1-CD1 4.45Å; I28-Y60 HydrophobicContact CG1-CE1 3.99Å; I28-Y60 HydrophobicContact CG2-CD1 3.68Å; I28-Y60 HydrophobicContact CG2-CE1 3.83Å; I28-Y60 HydrophobicContact CG2-CG 4.46Å; L56-Y60 HydrophobicContact CD1-CE2 4.3Å; L56-Y60 HydrophobicContact CD2-CD2 3.59Å; L56-Y60 HydrophobicContact CD2-CE2 3.55Å; L56-Y60 HydrophobicContact CG-CD2 3.93Å; L56-Y60 HydrophobicContact CG-CE2 3.72Å; L56-Y60 WeakPolarHBondContact O-CD2 3.46Å; L56-Y60 PolarHBondContact O-N 3.21Å; L57-Y60 PolarHBondContact O-N 3.42Å; L58-Y60 VanDerWaalsContact C-N 3.27Å; L58-Y60 PolarHBondContact O-N 2.86Å |
| 61 | G | 71.8 | Confident | 72.2 | Confident | 56 Ų | 56 | 80.3 Ų | 80.3 | 58% | 0.577 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | 12.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L57 L58 R59 Q63 | L57-G61 PolarHBondContact O-N 2.92Å; L58-G61 PolarHBondContact O-N 3.42Å; R59-G61 PolarHBondContact O-N 3.42Å; G61-Q63 PolarHBondContact O-N 3.16Å |
| 62 | C | 73.8 | Confident | 72.3 | Confident | 14 Ų | 14 | 79.3 Ų | 79.3 | 10% | 0.095 | 41% | 0.414 | C | S | . | . | trans | -57.2 | 127.6 | 160.9 | -82.5 | 0 | 0 | 0 | 0 | 108.5 | V31 L42 L57 | V31-C62 HydrophobicContact CG1-CB 4.42Å; V31-C62 WeakPolarHBondContact CG1-SG 3.13Å; V31-C62 PolarHBondContact O-SG 3.26Å; V31-C62 VanDerWaalsContact O-SG 3.36Å; L42-C62 HydrophobicContact CB-CB 4.04Å; L42-C62 HydrophobicContact CD2-CB 3.99Å; L57-C62 HydrophobicContact CB-CB 4.22Å; L57-C62 VanDerWaalsContact O-CB 3.31Å; L57-C62 WeakPolarHBondContact O-CB 3.45Å; L57-C62 PolarHBondContact O-N 2.91Å | ||
| 63 | Q | 67.6 | Low | 72.2 | Confident | 149 Ų | 149 | 71.4 Ų | 71.4 | 70% | 0.696 | 38% | 0.377 | S | S | * | . | trans | -97.3 | 147.3 | 170.6 | -67.6 | -176.6 | -35.2 | 0 | 0 | 109.3 | G61 D65 | G61-Q63 PolarHBondContact O-N 3.16Å; Q63-D65 PolarHBondContact O-N 3.43Å | ||
| 64 | E | 65.1 | Low | 72.2 | Confident | 74 Ų | 74 | 79.9 Ų | 79.9 | 35% | 0.346 | 41% | 0.408 | S | S | . | . | trans | -66.4 | 102.3 | 169.9 | -64.1 | 175 | 176.6 | 0 | 0 | 108.7 | L42 L58 C66 F151 K152 | L42-E64 HydrophobicContact CD2-CG 4.23Å; L58-E64 HydrophobicContact CD2-CG 4.31Å; E64-C66 PolarHBondContact O-N 2.93Å; E64-F151 HydrophobicContact CB-CE2 4.48Å; E64-F151 HydrophobicContact CB-CZ 4.23Å; E64-F151 HydrophobicContact CG-CE2 4.44Å; E64-F151 WeakPolarHBondContact OE2-CE2 3.31Å; E64-K152 IonicContact OE2-NZ 3.24Å; E64-K152 PolarHBondContact OE2-NZ 2.79Å | ||
| 65 | D | 57 | Low | 72.3 | Confident | 97 Ų | 97 | 79.5 Ų | 79.5 | 52% | 0.519 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -67.6 | -20.5 | 179.5 | -86.8 | -13.4 | 0 | 0 | 0 | 113 | Q63 Q67 K100 | Q63-D65 PolarHBondContact O-N 3.43Å; D65-Q67 VanDerWaalsContact C-N 3.25Å; D65-Q67 PolarHBondContact O-N 3.45Å; D65-K100 IonicContact OD2-NZ 3.52Å; D65-K100 PolarHBondContact OD2-NZ 2.69Å; D65-K100 VanDerWaalsContact OD2-NZ 3.09Å |
| 66 | C | 54.6 | Low | 72.7 | Confident | 17 Ų | 17 | 78.9 Ų | 78.9 | 12% | 0.115 | 40% | 0.401 | C | S | . | . | trans | -81.3 | 77.3 | 175.6 | -133.1 | 0 | 0 | 0 | 0 | 109.3 | E64 S68 Y101 N150 F151 K152 | E64-C66 PolarHBondContact O-N 2.93Å; C66-S68 VanDerWaalsContact C-N 3.26Å; C66-Y101 HydrophobicContact CB-CD2 4.19Å; C66-Y101 HydrophobicContact CB-CE2 3.71Å; C66-N150 PolarHBondContact SG-ND2 3.34Å; C66-F151 HydrophobicContact CB-CE1 3.46Å; C66-F151 VanDerWaalsContact CB-CE1 3.46Å; C66-F151 HydrophobicContact CB-CZ 3.64Å; C66-K152 WeakPolarHBondContact O-CE 3.47Å; C66-K152 WeakPolarHBondContact O-CG 3.29Å | ||
| 67 | Q | 54.2 | Low | 72.9 | Confident | 161 Ų | 161 | 76 Ų | 76 | 75% | 0.752 | 39% | 0.387 | S | S | * | . | trans | -78.7 | -11.8 | 176.7 | -64.6 | -154.7 | 4.1 | 0 | 0 | 113.3 | D65 | D65-Q67 VanDerWaalsContact C-N 3.25Å; D65-Q67 PolarHBondContact O-N 3.45Å | ||
| 68 | S | 63.9 | Low | 73.1 | Confident | 82 Ų | 82 | 81 Ų | 81 | 57% | 0.573 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -124.9 | 150.2 | -177.2 | 64.2 | 0 | 0 | 0 | 0 | 112.8 | C66 N150 | C66-S68 VanDerWaalsContact C-N 3.26Å; S68-N150 PolarHBondContact O-ND2 2.86Å |
| 69 | V | 67.2 | Low | 73.3 | Confident | 61 Ų | 61 | 79.4 Ų | 79.4 | 37% | 0.37 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 146.9 | 163.4 | 176.2 | 0 | 0 | 0 | 0 | 109.4 | K152 F154 | V69-K152 HydrophobicContact CG2-CB 4.49Å; V69-F154 WeakPolarHBondContact CG1-O 3.25Å |
| 70 | P | 70.8 | Confident | 73.4 | Confident | 14 Ų | 14 | 72.2 Ų | 72.2 | 9% | 0.091 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 158.5 | 178.9 | -21.7 | 34.9 | 0 | 0 | 0 | 112.8 | A148 N150 S155 | P70-A148 HydrophobicContact CB-CB 3.75Å; P70-A148 WeakPolarHBondContact CD-O 3.41Å; P70-A148 HydrophobicContact CG-CB 4.35Å; P70-A148 WeakPolarHBondContact CG-O 3.33Å; P70-N150 HydrophobicContact CG-CB 3.96Å; P70-S155 WeakPolarHBondContact O-CB 3.45Å |
| 71 | A | 74.1 | Confident | 73.4 | Confident | 85 Ų | 85 | 69 Ų | 69 | 70% | 0.702 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 156.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 72 | Q | 76.8 | Confident | 74 | Confident | 104 Ų | 104 | 67.8 Ų | 67.8 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 129 | 175.5 | -68 | -174.5 | 6.3 | 0 | 0 | 111.1 | E156 A158 | Q72-E156 HydrophobicContact CG-CB 3.84Å; Q72-E156 VanDerWaalsContact NE2-CB 3.32Å; Q72-E156 PolarHBondContact NE2-OE2 2.92Å; Q72-A158 HydrophobicContact CB-CB 4.21Å |
| 73 | P | 77.6 | Confident | 74.6 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 142.1 | -179.8 | 28.4 | -33.1 | 0 | 0 | 0 | 111.8 | C75 A93 Y105 A146 A148 A158 | P73-C75 PolarHBondContact O-N 3.03Å; P73-C75 PolarHBondContact O-SG 2.77Å; P73-C75 VanDerWaalsContact O-SG 3.34Å; P73-A93 HydrophobicContact CB-CB 4.13Å; P73-Y105 HydrophobicContact CB-CE1 3.87Å; P73-Y105 HydrophobicContact CG-CD1 4.48Å; P73-Y105 HydrophobicContact CG-CE1 4.29Å; P73-A146 HydrophobicContact CG-CB 4.38Å; P73-A148 HydrophobicContact CB-CB 4.36Å; P73-A148 HydrophobicContact CG-CB 4.14Å; P73-A158 HydrophobicContact CG-CB 3.97Å; P73-A158 WeakPolarHBondContact O-CB 3.46Å |
| 74 | R | 80.2 | Confident | 75.5 | Confident | 194 Ų | 194 | 63.1 Ų | 63.1 | 73% | 0.732 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 117.1 | 169.8 | -172.2 | 175.2 | -176.7 | 162.4 | 1.6 | 109.3 | F89 G90 | R74-F89 CarbonylContact O-C 3.58Å; R74-F89 WeakPolarHBondContact O-CA 3.41Å; R74-G90 PolarHBondContact O-N 2.82Å |
| 75 | C | 81.6 | Confident | 76.5 | Confident | 7 Ų | 7 | 59.6 Ų | 59.6 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132 | -175.5 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | P73 W88 A160 N161 | P73-C75 PolarHBondContact O-N 3.03Å; P73-C75 PolarHBondContact O-SG 2.77Å; P73-C75 VanDerWaalsContact O-SG 3.34Å; C75-W88 CarbonylContact C-O 3.41Å; C75-W88 WeakPolarHBondContact CA-O 3.49Å; C75-A160 HydrophobicContact CB-CB 3.9Å; C75-A160 WeakPolarHBondContact O-CA 3.35Å; C75-N161 PolarHBondContact O-N 2.96Å |
| 76 | F | 84.1 | Confident | 77.8 | Confident | 87 Ų | 87 | 56 Ų | 56 | 38% | 0.382 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.5 | 172 | 176.5 | -97.5 | 0 | 0 | 0 | 109.4 | Q78 I87 W88 N161 | F76-Q78 HydrophobicContact CE1-CB 4.08Å; F76-I87 CarbonylContact O-C 3.6Å; F76-I87 WeakPolarHBondContact O-CA 3.44Å; F76-W88 HydrophobicContact CB-CB 4.22Å; F76-W88 HydrophobicContact CD1-CB 4.44Å; F76-W88 AromaticContact CD1-CD1 3.96Å; F76-W88 HydrophobicContact CD1-CG 4.39Å; F76-W88 PolarHBondContact N-O 2.73Å; F76-W88 PolarHBondContact O-N 2.76Å; F76-N161 CarbonylContact C-O 3.41Å; F76-N161 VanDerWaalsContact CA-O 3.23Å; F76-N161 WeakPolarHBondContact CA-O 3.46Å; F76-N161 WeakPolarHBondContact CD2-O 3.4Å; F76-N161 WeakPolarHBondContact CE2-O 3.24Å; F76-N161 WeakPolarHBondContact CG-O 3.18Å |
| 77 | M | 86.2 | Confident | 79.1 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 148 | 177.2 | 61.3 | 163.2 | 81.6 | 0 | 0 | 111.5 | V86 V144 A160 N161 P162 L165 | M77-V86 CarbonylContact C-O 3.6Å; M77-V86 WeakPolarHBondContact CA-O 2.77Å; M77-V144 HydrophobicContact CE-CB 3.58Å; M77-V144 HydrophobicContact CE-CG2 3.68Å; M77-A160 HydrophobicContact CB-CB 4.14Å; M77-A160 HydrophobicContact CE-CB 3.4Å; M77-A160 VanDerWaalsContact CE-CB 3.4Å; M77-A160 HydrophobicContact CG-CB 4.11Å; M77-N161 PolarHBondContact N-O 3.39Å; M77-P162 VanDerWaalsContact CE-O 3.28Å; M77-P162 WeakPolarHBondContact CE-O 3.46Å; M77-P162 HydrophobicContact CG-CG 4.16Å; M77-P162 VanDerWaalsContact CG-O 3.26Å; M77-P162 WeakPolarHBondContact CG-O 3.48Å; M77-P162 WeakPolarHBondContact O-CD 3.31Å; M77-L165 VanDerWaalsContact C-CD1 3.42Å; M77-L165 HydrophobicContact CB-CD1 3.94Å; M77-L165 HydrophobicContact CG-CD1 3.49Å; M77-L165 VanDerWaalsContact CG-CD1 3.49Å; M77-L165 HydrophobicContact CG-CG 3.87Å; M77-L165 WeakPolarHBondContact O-CD1 3.43Å; M77-L165 HydrophobicContact SD-CB 3.66Å; M77-L165 HydrophobicContact SD-CD1 3.72Å; M77-L165 HydrophobicContact SD-CG 3.52Å; M77-L165 VanDerWaalsContact SD-CG 3.52Å |
| 78 | Q | 87.1 | Confident | 80.3 | Confident | 105 Ų | 105 | 52.6 Ų | 52.6 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 153.6 | 175.2 | -163.5 | -176.6 | -56.1 | 0 | 0 | 110.5 | F76 G80 L85 V86 L165 | F76-Q78 HydrophobicContact CE1-CB 4.08Å; Q78-G80 PolarHBondContact O-N 2.8Å; Q78-L85 CarbonylContact O-C 3.56Å; Q78-L85 WeakPolarHBondContact O-CA 3.25Å; Q78-V86 PolarHBondContact N-O 2.64Å; Q78-V86 PolarHBondContact O-N 3.14Å; Q78-L165 VanDerWaalsContact CA-CD1 3.44Å |
| 79 | V | 85.8 | Confident | 80.9 | Confident | 43 Ų | 43 | 49.1 Ų | 49.1 | 26% | 0.261 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 124 | 168.7 | -177.6 | 0 | 0 | 0 | 0 | 110 | S81 L85 L165 T166 S168 | V79-S81 WeakPolarHBondContact CG1-O 3.36Å; V79-L85 HydrophobicContact CB-CD2 4.49Å; V79-L85 HydrophobicContact CG2-CD2 4.12Å; V79-L165 HydrophobicContact CG2-CD1 4.5Å; V79-T166 WeakPolarHBondContact CG2-O 3.39Å; V79-S168 WeakPolarHBondContact CG1-O 3.37Å |
| 80 | G | 79.8 | Confident | 80.9 | Confident | 45 Ų | 45 | 47.4 Ų | 47.4 | 46% | 0.464 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q78 S84 | Q78-G80 PolarHBondContact O-N 2.8Å; G80-S84 PolarHBondContact N-O 2.78Å |
| 81 | S | 82.2 | Confident | 80.2 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | -174 | 178.4 | 76.6 | 0 | 0 | 0 | 0 | 111.8 | V79 S83 S84 | V79-S81 WeakPolarHBondContact CG1-O 3.36Å; S81-S83 PolarHBondContact O-N 3.08Å; S81-S83 VanDerWaalsContact O-N 3.16Å; S81-S83 PolarHBondContact OG-N 2.88Å; S81-S83 VanDerWaalsContact OG-N 3.15Å; S81-S84 WeakPolarHBondContact CB-OG 3.21Å; S81-S84 PolarHBondContact N-O 3.25Å; S81-S84 VanDerWaalsContact N-O 3.12Å; S81-S84 PolarHBondContact N-OG 3.29Å; S81-S84 WeakPolarHBondContact OG-CB 3.48Å; S81-S84 PolarHBondContact OG-N 2.89Å; S81-S84 VanDerWaalsContact OG-N 3.14Å; S81-S84 PolarHBondContact OG-OG 3.45Å |
| 82 | A | 84.3 | Confident | 79 | Confident | 32 Ų | 32 | 55.4 Ų | 55.4 | 26% | 0.264 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -24.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P138 P167 C169 | A82-P138 WeakPolarHBondContact O-CA 3.39Å; A82-P138 WeakPolarHBondContact O-CB 3.45Å; A82-P167 CarbonylContact O-C 3.51Å; A82-P167 WeakPolarHBondContact O-CB 3.49Å; A82-C169 HydrophobicContact CB-CB 3.93Å |
| 83 | S | 86.2 | Confident | 77.5 | Confident | 50 Ų | 50 | 50.9 Ų | 50.9 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.5 | 22.5 | -172.9 | 63.9 | 0 | 0 | 0 | 0 | 112.5 | S81 N135 L136 | S81-S83 PolarHBondContact O-N 3.08Å; S81-S83 VanDerWaalsContact O-N 3.16Å; S81-S83 PolarHBondContact OG-N 2.88Å; S81-S83 VanDerWaalsContact OG-N 3.15Å; S83-N135 PolarHBondContact O-N 3.33Å; S83-L136 VanDerWaalsContact CA-O 3.27Å; S83-L136 WeakPolarHBondContact CA-O 3.14Å; S83-L136 WeakPolarHBondContact CB-O 3.32Å; S83-L136 PolarHBondContact O-N 3.44Å |
| 84 | S | 86.4 | Confident | 75.9 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 147 | 178 | 68.4 | 0 | 0 | 0 | 0 | 113.8 | G80 S81 I133 | G80-S84 PolarHBondContact N-O 2.78Å; S81-S84 WeakPolarHBondContact CB-OG 3.21Å; S81-S84 PolarHBondContact N-O 3.25Å; S81-S84 VanDerWaalsContact N-O 3.12Å; S81-S84 PolarHBondContact N-OG 3.29Å; S81-S84 WeakPolarHBondContact OG-CB 3.48Å; S81-S84 PolarHBondContact OG-N 2.89Å; S81-S84 VanDerWaalsContact OG-N 3.14Å; S81-S84 PolarHBondContact OG-OG 3.45Å; S84-I133 WeakPolarHBondContact CA-O 3.45Å; S84-I133 WeakPolarHBondContact CB-O 3.35Å |
| 85 | L | 86.1 | Confident | 74 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 151.7 | 169.2 | -63.2 | -179.9 | 0 | 0 | 0 | 109.7 | Q78 V79 T132 I133 L136 Y142 L165 P167 | Q78-L85 CarbonylContact O-C 3.56Å; Q78-L85 WeakPolarHBondContact O-CA 3.25Å; V79-L85 HydrophobicContact CB-CD2 4.49Å; V79-L85 HydrophobicContact CG2-CD2 4.12Å; L85-T132 CarbonylContact O-C 3.49Å; L85-T132 WeakPolarHBondContact O-CA 3.47Å; L85-I133 PolarHBondContact N-O 3.19Å; L85-I133 PolarHBondContact O-N 3.33Å; L85-L136 HydrophobicContact CB-CD1 4.05Å; L85-L136 HydrophobicContact CD1-CD1 3.99Å; L85-L136 HydrophobicContact CG-CD1 3.66Å; L85-Y142 HydrophobicContact CD1-CG 4.5Å; L85-L165 HydrophobicContact CD1-CB 4.14Å; L85-L165 HydrophobicContact CD2-CB 3.86Å; L85-L165 HydrophobicContact CD2-CD1 4.46Å; L85-P167 HydrophobicContact CD2-CG 4.07Å; L85-P167 HydrophobicContact CG-CG 4.05Å |
| 86 | V | 84.4 | Confident | 72.2 | Confident | 23 Ų | 23 | 48.9 Ų | 48.9 | 14% | 0.139 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.2 | 173.2 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | M77 Q78 W88 C130 | M77-V86 CarbonylContact C-O 3.6Å; M77-V86 WeakPolarHBondContact CA-O 2.77Å; Q78-V86 PolarHBondContact N-O 2.64Å; Q78-V86 PolarHBondContact O-N 3.14Å; V86-W88 HydrophobicContact CG1-CZ2 4.49Å; V86-C130 HydrophobicContact CG1-CB 4.12Å |
| 87 | I | 82.1 | Confident | 70 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 135.7 | 175.5 | -58.1 | 156.8 | 0 | 0 | 0 | 107.7 | F76 F89 R107 C130 A131 I133 V144 | F76-I87 CarbonylContact O-C 3.6Å; F76-I87 WeakPolarHBondContact O-CA 3.44Å; I87-F89 HydrophobicContact CG2-CE1 4.02Å; I87-F89 HydrophobicContact CG2-CZ 4.06Å; I87-R107 HydrophobicContact CD1-CG 4.45Å; I87-C130 CarbonylContact O-C 3.56Å; I87-C130 WeakPolarHBondContact O-CA 3.26Å; I87-C130 VanDerWaalsContact O-CB 3.27Å; I87-C130 WeakPolarHBondContact O-CB 3.29Å; I87-A131 PolarHBondContact N-O 3.48Å; I87-A131 PolarHBondContact O-N 3.15Å; I87-I133 HydrophobicContact CD1-CD1 3.37Å; I87-I133 HydrophobicContact CD1-CG1 3.76Å; I87-I133 HydrophobicContact CG1-CD1 4.12Å; I87-V144 HydrophobicContact CD1-CB 4.38Å; I87-V144 HydrophobicContact CD1-CG1 3.32Å; I87-V144 HydrophobicContact CD1-CG2 4.28Å; I87-V144 HydrophobicContact CG1-CG1 3.9Å; I87-V144 HydrophobicContact CG1-CG2 4.49Å |
| 88 | W | 80.1 | Confident | 67.8 | Low | 106 Ų | 106 | 51.6 Ų | 51.6 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 139.1 | 177.4 | -66 | 83.2 | 0 | 0 | 0 | 109.3 | C75 F76 V86 P129 C130 | C75-W88 CarbonylContact C-O 3.41Å; C75-W88 WeakPolarHBondContact CA-O 3.49Å; F76-W88 HydrophobicContact CB-CB 4.22Å; F76-W88 HydrophobicContact CD1-CB 4.44Å; F76-W88 AromaticContact CD1-CD1 3.96Å; F76-W88 HydrophobicContact CD1-CG 4.39Å; F76-W88 PolarHBondContact N-O 2.73Å; F76-W88 PolarHBondContact O-N 2.76Å; V86-W88 HydrophobicContact CG1-CZ2 4.49Å; W88-P129 CarbonylContact C-O 3.56Å; W88-P129 WeakPolarHBondContact CA-O 3.41Å; W88-P129 HydrophobicContact CZ3-CG 4.41Å; W88-C130 HydrophobicContact CD2-CB 3.52Å; W88-C130 HydrophobicContact CE3-CB 3.51Å; W88-C130 HydrophobicContact CG-CB 4.03Å; W88-C130 HydrophobicContact CH2-CB 4.13Å; W88-C130 HydrophobicContact CZ2-CB 4.16Å; W88-C130 HydrophobicContact CZ3-CB 3.81Å |
| 89 | F | 75.5 | Confident | 65.7 | Low | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.039 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 126.6 | 175.2 | -55.5 | -70.7 | 0 | 0 | 0 | 108.5 | R74 I87 Y105 R107 P129 A146 | R74-F89 CarbonylContact O-C 3.58Å; R74-F89 WeakPolarHBondContact O-CA 3.41Å; I87-F89 HydrophobicContact CG2-CE1 4.02Å; I87-F89 HydrophobicContact CG2-CZ 4.06Å; F89-Y105 HydrophobicContact CB-CE2 4.17Å; F89-Y105 HydrophobicContact CD1-CD1 4.02Å; F89-Y105 HydrophobicContact CD1-CD2 4.39Å; F89-Y105 AromaticContact CD1-CE1 3.95Å; F89-Y105 HydrophobicContact CD1-CE1 3.95Å; F89-Y105 HydrophobicContact CD1-CE2 4.27Å; F89-Y105 HydrophobicContact CD1-CG 4.26Å; F89-Y105 AromaticContact CD2-CD2 3.75Å; F89-Y105 HydrophobicContact CD2-CD2 3.75Å; F89-Y105 AromaticContact CD2-CE2 3.68Å; F89-Y105 HydrophobicContact CD2-CE2 3.68Å; F89-Y105 HydrophobicContact CD2-CG 4.32Å; F89-Y105 AromaticContact CE1-CD1 3.85Å; F89-Y105 HydrophobicContact CE1-CD1 3.85Å; F89-Y105 HydrophobicContact CE1-CD2 4.28Å; F89-Y105 HydrophobicContact CE1-CE1 4.26Å; F89-Y105 AromaticContact CE1-CG 3.88Å; F89-Y105 HydrophobicContact CE1-CG 3.88Å; F89-Y105 AromaticContact CE2-CD2 3.62Å; F89-Y105 HydrophobicContact CE2-CD2 3.62Å; F89-Y105 HydrophobicContact CE2-CE2 4.07Å; F89-Y105 AromaticContact CE2-CG 3.94Å; F89-Y105 HydrophobicContact CE2-CG 3.94Å; F89-Y105 HydrophobicContact CG-CD1 4.48Å; F89-Y105 HydrophobicContact CG-CD2 4.12Å; F89-Y105 HydrophobicContact CG-CE1 4.21Å; F89-Y105 AromaticContact CG-CE2 3.78Å; F89-Y105 HydrophobicContact CG-CE2 3.78Å; F89-Y105 HydrophobicContact CG-CG 4.46Å; F89-Y105 AromaticContact CG-CZ 3.84Å; F89-Y105 HydrophobicContact CZ-CD1 4.15Å; F89-Y105 AromaticContact CZ-CD2 3.88Å; F89-Y105 HydrophobicContact CZ-CD2 3.88Å; F89-Y105 HydrophobicContact CZ-CE2 4.49Å; F89-Y105 AromaticContact CZ-CG 3.68Å; F89-Y105 HydrophobicContact CZ-CG 3.68Å; F89-R107 HydrophobicContact CZ-CG 4.06Å; F89-P129 PolarHBondContact N-O 3.29Å; F89-A146 HydrophobicContact CE1-CB 3.73Å; F89-A146 HydrophobicContact CZ-CB 4.48Å |
| 90 | G | 68.4 | Low | 63.5 | Low | 24 Ų | 24 | 46.3 Ų | 46.3 | 25% | 0.247 | 29% | 0.288 | C | S | . | . | trans | -73.2 | 154.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R74 N92 A93 | R74-G90 PolarHBondContact O-N 2.82Å; G90-N92 PolarHBondContact O-N 3.31Å; G90-A93 WeakPolarHBondContact O-CB 3.47Å; G90-A93 PolarHBondContact O-N 2.86Å | ||
| 91 | D | 55.4 | Low | 61.5 | Low | 128 Ų | 128 | 45 Ų | 45 | 68% | 0.684 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -53.5 | -27.4 | -174.3 | -67.7 | -22.2 | 0 | 0 | 0 | 115.4 | A93 L94 S95 | D91-A93 PolarHBondContact O-N 3.24Å; D91-L94 PolarHBondContact O-N 2.94Å; D91-S95 PolarHBondContact O-N 3.46Å; D91-S95 VanDerWaalsContact O-N 3.09Å |
| 92 | N | 49 | Very low | 59.5 | Low | 139 Ų | 139 | 48.9 Ų | 48.9 | 74% | 0.743 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -58 | -20.6 | 174.8 | -72.1 | 4.5 | 0 | 0 | 0 | 112.8 | G90 | G90-N92 PolarHBondContact O-N 3.31Š|
| 93 | A | 46.2 | Very low | 57.7 | Low | 9 Ų | 9 | 47.5 Ų | 47.5 | 7% | 0.074 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -98 | -13.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P73 G90 D91 T99 Y105 | P73-A93 HydrophobicContact CB-CB 4.13Å; G90-A93 WeakPolarHBondContact O-CB 3.47Å; G90-A93 PolarHBondContact O-N 2.86Å; D91-A93 PolarHBondContact O-N 3.24Å; A93-T99 PolarHBondContact O-OG1 2.89Å; A93-Y105 HydrophobicContact CB-CE1 4.43Å; A93-Y105 WeakPolarHBondContact CB-OH 3.22Å; A93-Y105 PolarHBondContact O-OH 3.06Å |
| 94 | L | 42.2 | Very low | 56.2 | Low | 53 Ų | 53 | 45.9 Ų | 45.9 | 28% | 0.277 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -8.9 | 176.1 | -75.1 | 152.9 | 0 | 0 | 0 | 112.8 | D91 P96 L126 P129 | D91-L94 PolarHBondContact O-N 2.94Å; L94-P96 WeakPolarHBondContact O-CD 3.48Å; L94-L126 VanDerWaalsContact CD2-O 3.3Å; L94-L126 WeakPolarHBondContact CD2-O 3.43Å; L94-P129 HydrophobicContact CD1-CB 3.83Å |
| 95 | S | 40.6 | Very low | 55 | Low | 45 Ų | 45 | 45.4 Ų | 45.4 | 32% | 0.315 | 25% | 0.254 | S | S | . | . | trans | -56.5 | 116.1 | 170 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | D91 T97 A98 T99 | D91-S95 PolarHBondContact O-N 3.46Å; D91-S95 VanDerWaalsContact O-N 3.09Å; S95-T97 PolarHBondContact O-N 3.29Å; S95-T97 PolarHBondContact OG-N 3.48Å; S95-T97 PolarHBondContact OG-OG1 3.05Å; S95-A98 PolarHBondContact O-N 3.39Å; S95-T99 PolarHBondContact O-N 2.88Å; S95-T99 VanDerWaalsContact O-N 3.16Å; S95-T99 PolarHBondContact O-OG1 3.46Å | ||
| 96 | P | 43.2 | Very low | 54.1 | Low | 65 Ų | 65 | 47 Ų | 47 | 42% | 0.422 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.9 | 179.8 | -10 | 18.5 | 0 | 0 | 0 | 111.6 | F39 L94 T99 K100 | F39-P96 HydrophobicContact CE1-CB 4.34Å; F39-P96 HydrophobicContact CE2-CB 4.13Å; F39-P96 HydrophobicContact CZ-CB 3.5Å; F39-P96 VanDerWaalsContact CZ-CB 3.5Å; L94-P96 WeakPolarHBondContact O-CD 3.48Å; P96-T99 CarbonylContact O-C 3.55Å; P96-K100 WeakPolarHBondContact O-CA 3.31Å; P96-K100 PolarHBondContact O-N 2.71Å |
| 97 | T | 38.7 | Very low | 53.2 | Low | 95 Ų | 95 | 46 Ų | 46 | 58% | 0.583 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -28.4 | 174.4 | 6.8 | 0 | 0 | 0 | 0 | 113.5 | S95 | S95-T97 PolarHBondContact O-N 3.29Å; S95-T97 PolarHBondContact OG-N 3.48Å; S95-T97 PolarHBondContact OG-OG1 3.05Å |
| 98 | A | 40.5 | Very low | 53 | Low | 51 Ų | 51 | 46.9 Ų | 46.9 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -30.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | S95 | S95-A98 PolarHBondContact O-N 3.39Š|
| 99 | T | 42.6 | Very low | 53 | Low | 15 Ų | 15 | 42.9 Ų | 42.9 | 9% | 0.092 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -120.9 | 67 | 173.3 | 39.3 | 0 | 0 | 0 | 0 | 108.8 | A93 S95 P96 Y101 | A93-T99 PolarHBondContact O-OG1 2.89Å; S95-T99 PolarHBondContact O-N 2.88Å; S95-T99 VanDerWaalsContact O-N 3.16Å; S95-T99 PolarHBondContact O-OG1 3.46Å; P96-T99 CarbonylContact O-C 3.55Å; T99-Y101 PolarHBondContact O-N 2.86Å; T99-Y101 VanDerWaalsContact O-O 3.11Å |
| 100 | K | 40.2 | Very low | 53.3 | Low | 22 Ų | 22 | 42.6 Ų | 42.6 | 10% | 0.096 | 24% | 0.244 | C | C | . | . | trans | -58.4 | -7.9 | -175.4 | -144.5 | -174.2 | -167.1 | -154.7 | 0 | 115.7 | G38 F39 D43 D65 P96 | G38-K100 VanDerWaalsContact O-CE 3.24Å; G38-K100 WeakPolarHBondContact O-CE 3.3Å; F39-K100 HydrophobicContact CD1-CG 3.81Å; F39-K100 HydrophobicContact CE1-CG 3.89Å; F39-K100 WeakPolarHBondContact CE1-O 3.26Å; D43-K100 IonicContact OD1-NZ 3.36Å; D43-K100 WeakPolarHBondContact OD2-CD 3.25Å; D43-K100 WeakPolarHBondContact OD2-CE 3.42Å; D43-K100 IonicContact OD2-NZ 3.36Å; D43-K100 PolarHBondContact OD2-NZ 3.03Å; D65-K100 IonicContact OD2-NZ 3.52Å; D65-K100 PolarHBondContact OD2-NZ 2.69Å; D65-K100 VanDerWaalsContact OD2-NZ 3.09Å; P96-K100 WeakPolarHBondContact O-CA 3.31Å; P96-K100 PolarHBondContact O-N 2.71Å | ||
| 101 | Y | 36.7 | Very low | 53.9 | Low | 16 Ų | 16 | 44.5 Ų | 44.5 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -134.3 | 165.4 | -177.5 | -66.9 | -94.8 | 0 | 0 | 0 | 108.6 | D43 T46 C66 T99 G103 F151 | D43-Y101 PolarHBondContact OD1-OH 3.02Å; T46-Y101 HydrophobicContact CG2-CD1 3.89Å; T46-Y101 HydrophobicContact CG2-CE1 3.84Å; C66-Y101 HydrophobicContact CB-CD2 4.19Å; C66-Y101 HydrophobicContact CB-CE2 3.71Å; T99-Y101 PolarHBondContact O-N 2.86Å; T99-Y101 VanDerWaalsContact O-O 3.11Å; Y101-G103 PolarHBondContact O-N 2.82Å; Y101-F151 AromaticContact CD1-CD1 3.99Å; Y101-F151 HydrophobicContact CD1-CD1 3.99Å; Y101-F151 HydrophobicContact CD1-CE1 4.17Å; Y101-F151 AromaticContact CD2-CD1 3.89Å; Y101-F151 HydrophobicContact CD2-CD1 3.89Å; Y101-F151 AromaticContact CD2-CE1 3.6Å; Y101-F151 HydrophobicContact CD2-CE1 3.6Å; Y101-F151 HydrophobicContact CE1-CD1 4.14Å; Y101-F151 AromaticContact CE1-CE1 3.93Å; Y101-F151 HydrophobicContact CE1-CE1 3.93Å; Y101-F151 HydrophobicContact CE2-CD1 4.14Å; Y101-F151 AromaticContact CE2-CE1 3.43Å; Y101-F151 HydrophobicContact CE2-CE1 3.43Å; Y101-F151 VanDerWaalsContact CE2-CE1 3.43Å; Y101-F151 HydrophobicContact CE2-CZ 4.37Å; Y101-F151 AromaticContact CG-CD1 3.83Å; Y101-F151 HydrophobicContact CG-CD1 3.83Å; Y101-F151 AromaticContact CG-CE1 3.99Å; Y101-F151 HydrophobicContact CG-CE1 3.99Å; Y101-F151 AromaticContact CZ-CE1 3.54Å |
| 102 | K | 40.4 | Very low | 55.2 | Low | 131 Ų | 131 | 39.8 Ų | 39.8 | 57% | 0.57 | 23% | 0.226 | S | C | * | . | trans | -41.4 | 91.4 | 163.4 | -75.2 | 179.2 | -179.9 | 170.4 | 0 | 109.1 | M47 | M47-K102 WeakPolarHBondContact O-CE 3.47Š| ||
| 103 | G | 48.1 | Very low | 56.8 | Low | 2 Ų | 2 | 36.1 Ų | 36.1 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | trans | -78.9 | 144 | 180 | 0 | 0 | 0 | 0 | 0 | 107.4 | Y101 L126 G149 | Y101-G103 PolarHBondContact O-N 2.82Å; G103-L126 WeakPolarHBondContact O-CD2 3.33Å; G103-L126 WeakPolarHBondContact O-CG 3.48Å; G103-G149 CarbonylContact C-O 3.42Å; G103-G149 WeakPolarHBondContact CA-O 3.34Å | ||
| 104 | A | 53.4 | Low | 58.7 | Low | 17 Ų | 17 | 41 Ų | 41 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | I122 I123 G149 F154 | A104-I122 HydrophobicContact CB-CG2 4.1Å; A104-I123 CarbonylContact C-O 3.46Å; A104-I123 WeakPolarHBondContact CA-O 3.39Å; A104-G149 PolarHBondContact N-O 2.94Å; A104-G149 VanDerWaalsContact N-O 3.12Å; A104-G149 WeakPolarHBondContact O-CA 3.43Å; A104-G149 PolarHBondContact O-N 3.12Å; A104-F154 HydrophobicContact CB-CE1 4.05Å; A104-F154 HydrophobicContact CB-CZ 4.31Å |
| 105 | Y | 60.8 | Low | 60.7 | Low | 3 Ų | 3 | 39.4 Ų | 39.4 | 1% | 0.012 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 109.1 | 161.4 | -68.7 | -61.4 | 0 | 0 | 0 | 108 | P73 F89 A93 I123 L126 Y147 A148 | P73-Y105 HydrophobicContact CB-CE1 3.87Å; P73-Y105 HydrophobicContact CG-CD1 4.48Å; P73-Y105 HydrophobicContact CG-CE1 4.29Å; F89-Y105 HydrophobicContact CB-CE2 4.17Å; F89-Y105 HydrophobicContact CD1-CD1 4.02Å; F89-Y105 HydrophobicContact CD1-CD2 4.39Å; F89-Y105 AromaticContact CD1-CE1 3.95Å; F89-Y105 HydrophobicContact CD1-CE1 3.95Å; F89-Y105 HydrophobicContact CD1-CE2 4.27Å; F89-Y105 HydrophobicContact CD1-CG 4.26Å; F89-Y105 AromaticContact CD2-CD2 3.75Å; F89-Y105 HydrophobicContact CD2-CD2 3.75Å; F89-Y105 AromaticContact CD2-CE2 3.68Å; F89-Y105 HydrophobicContact CD2-CE2 3.68Å; F89-Y105 HydrophobicContact CD2-CG 4.32Å; F89-Y105 AromaticContact CE1-CD1 3.85Å; F89-Y105 HydrophobicContact CE1-CD1 3.85Å; F89-Y105 HydrophobicContact CE1-CD2 4.28Å; F89-Y105 HydrophobicContact CE1-CE1 4.26Å; F89-Y105 AromaticContact CE1-CG 3.88Å; F89-Y105 HydrophobicContact CE1-CG 3.88Å; F89-Y105 AromaticContact CE2-CD2 3.62Å; F89-Y105 HydrophobicContact CE2-CD2 3.62Å; F89-Y105 HydrophobicContact CE2-CE2 4.07Å; F89-Y105 AromaticContact CE2-CG 3.94Å; F89-Y105 HydrophobicContact CE2-CG 3.94Å; F89-Y105 HydrophobicContact CG-CD1 4.48Å; F89-Y105 HydrophobicContact CG-CD2 4.12Å; F89-Y105 HydrophobicContact CG-CE1 4.21Å; F89-Y105 AromaticContact CG-CE2 3.78Å; F89-Y105 HydrophobicContact CG-CE2 3.78Å; F89-Y105 HydrophobicContact CG-CG 4.46Å; F89-Y105 AromaticContact CG-CZ 3.84Å; F89-Y105 HydrophobicContact CZ-CD1 4.15Å; F89-Y105 AromaticContact CZ-CD2 3.88Å; F89-Y105 HydrophobicContact CZ-CD2 3.88Å; F89-Y105 HydrophobicContact CZ-CE2 4.49Å; F89-Y105 AromaticContact CZ-CG 3.68Å; F89-Y105 HydrophobicContact CZ-CG 3.68Å; A93-Y105 HydrophobicContact CB-CE1 4.43Å; A93-Y105 WeakPolarHBondContact CB-OH 3.22Å; A93-Y105 PolarHBondContact O-OH 3.06Å; Y105-I123 PolarHBondContact N-O 3.17Å; Y105-I123 PolarHBondContact O-N 2.91Å; Y105-L126 HydrophobicContact CD2-CD2 3.56Å; Y105-L126 HydrophobicContact CE2-CD2 3.24Å; Y105-L126 HydrophobicContact CG-CD2 4.42Å; Y105-Y147 VanDerWaalsContact CA-O 3.31Å; Y105-Y147 WeakPolarHBondContact CA-O 3.44Å; Y105-A148 HydrophobicContact CE1-CB 4.27Å |
| 106 | E | 67 | Low | 62.7 | Low | 34 Ų | 34 | 46.7 Ų | 46.7 | 16% | 0.159 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 126.8 | 160.9 | -173 | 178.7 | 156.9 | 0 | 0 | 107.7 | Q108 I122 A146 Y147 F154 | E106-Q108 HydrophobicContact CG-CG 4.42Å; E106-Q108 PolarHBondContact OE1-NE2 3.2Å; E106-I122 HydrophobicContact CB-CG1 4.37Å; E106-I122 HydrophobicContact CG-CG1 4.03Å; E106-A146 CarbonylContact O-C 3.5Å; E106-A146 VanDerWaalsContact O-CA 3.25Å; E106-A146 WeakPolarHBondContact O-CA 3.3Å; E106-Y147 HydrophobicContact CB-CD2 4.15Å; E106-Y147 HydrophobicContact CG-CD2 4.39Å; E106-Y147 PolarHBondContact N-O 3.32Å; E106-Y147 WeakPolarHBondContact O-CD2 3.21Å; E106-Y147 PolarHBondContact O-N 3.04Å; E106-F154 HydrophobicContact CB-CD1 4.16Å; E106-F154 HydrophobicContact CB-CE1 3.8Å; E106-F154 HydrophobicContact CB-CZ 4.37Å |
| 107 | R | 66.8 | Low | 64.6 | Low | 3 Ų | 3 | 49 Ų | 49 | 1% | 0.011 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.6 | 176.1 | -61.5 | 176.7 | -63.2 | 159.4 | 5.6 | 108.7 | I87 F89 T120 M121 I123 A131 T132 A146 | I87-R107 HydrophobicContact CD1-CG 4.45Å; F89-R107 HydrophobicContact CZ-CG 4.06Å; R107-T120 CarbonylContact O-C 3.58Å; R107-T120 WeakPolarHBondContact O-CA 3.46Å; R107-M121 PolarHBondContact N-O 3.46Å; R107-M121 PolarHBondContact NH2-SD 3.37Å; R107-M121 PolarHBondContact O-N 3.04Å; R107-I123 VanDerWaalsContact NE-CD1 3.26Å; R107-A131 PolarHBondContact NH1-O 2.93Å; R107-T132 PolarHBondContact NH1-O 2.99Å; R107-A146 HydrophobicContact CG-CB 4.33Å |
| 108 | Q | 77.9 | Confident | 66.6 | Low | 17 Ų | 17 | 47.3 Ų | 47.3 | 8% | 0.079 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 133.2 | 177.4 | -60.5 | -167.6 | -5.5 | 0 | 0 | 108.3 | E106 I118 Q119 T120 V144 R145 Y147 | E106-Q108 HydrophobicContact CG-CG 4.42Å; E106-Q108 PolarHBondContact OE1-NE2 3.2Å; Q108-I118 HydrophobicContact CB-CG2 3.64Å; Q108-I118 HydrophobicContact CG-CG2 3.97Å; Q108-Q119 VanDerWaalsContact CA-O 3.32Å; Q108-Q119 WeakPolarHBondContact CA-O 3.31Å; Q108-T120 HydrophobicContact CG-CG2 3.91Å; Q108-V144 WeakPolarHBondContact O-CA 3.29Å; Q108-R145 HydrophobicContact CB-CG 3.8Å; Q108-R145 PolarHBondContact N-O 3.11Å; Q108-R145 PolarHBondContact O-N 3.33Å; Q108-Y147 HydrophobicContact CG-CE2 3.92Å |
| 109 | W | 79.2 | Confident | 68.5 | Low | 22 Ų | 22 | 50.2 Ų | 50.2 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 148.3 | 173.6 | 65.5 | 92.8 | 0 | 0 | 0 | 111.2 | Q119 M121 I133 Y142 Y143 V144 | W109-Q119 HydrophobicContact CD2-CB 3.97Å; W109-Q119 HydrophobicContact CG-CB 4.37Å; W109-Q119 HydrophobicContact CH2-CB 4.24Å; W109-Q119 HydrophobicContact CZ2-CB 3.54Å; W109-Q119 PolarHBondContact N-O 3.49Å; W109-Q119 PolarHBondContact O-N 3.3Å; W109-M121 HydrophobicContact CH2-CB 3.83Å; W109-M121 HydrophobicContact CZ3-CB 3.64Å; W109-I133 HydrophobicContact CB-CD1 4.16Å; W109-I133 HydrophobicContact CD2-CD1 4.11Å; W109-I133 HydrophobicContact CD2-CG1 4.47Å; W109-I133 HydrophobicContact CD2-CG2 3.76Å; W109-I133 HydrophobicContact CE3-CD1 4.1Å; W109-I133 HydrophobicContact CE3-CG1 4.27Å; W109-I133 HydrophobicContact CE3-CG2 4.17Å; W109-I133 HydrophobicContact CG-CD1 4.15Å; W109-I133 HydrophobicContact CG-CG2 4.25Å; W109-I133 HydrophobicContact CH2-CG2 4.25Å; W109-I133 HydrophobicContact CZ2-CG2 3.82Å; W109-I133 HydrophobicContact CZ3-CG2 4.4Å; W109-Y142 AromaticContact CD1-CD1 3.99Å; W109-Y143 WeakPolarHBondContact CA-O 3.28Å; W109-Y143 WeakPolarHBondContact CB-O 3.48Å; W109-V144 HydrophobicContact CB-CG2 4.09Å |
| 110 | S | 82.1 | Confident | 70 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 156.2 | -178.9 | -172 | 0 | 0 | 0 | 0 | 109.9 | D112 D117 Y142 Y143 | S110-D112 VanDerWaalsContact C-N 3.25Å; S110-D112 PolarHBondContact OG-N 3.03Å; S110-D112 PolarHBondContact OG-O 3.15Å; S110-D117 WeakPolarHBondContact CB-O 3.4Å; S110-D117 PolarHBondContact OG-O 3.22Å; S110-Y142 WeakPolarHBondContact O-CA 3.28Å; S110-Y143 PolarHBondContact N-O 3.14Å; S110-Y143 PolarHBondContact O-N 3.39Å |
| 111 | T | 82 | Confident | 71.5 | Confident | 63 Ų | 63 | 56.8 Ų | 56.8 | 39% | 0.387 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -81.1 | -11.1 | 165.5 | 53 | 0 | 0 | 0 | 0 | 112.3 | M140 N141 Y142 | T111-M140 HydrophobicContact CG2-CE 3.77Å; T111-N141 WeakPolarHBondContact CA-O 3.44Å; T111-Y142 HydrophobicContact CG2-CD1 4.03Å; T111-Y142 HydrophobicContact CG2-CE1 3.63Å |
| 112 | D | 82.8 | Confident | 72.6 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -99.6 | 126.6 | 178 | 178.8 | 9.3 | 0 | 0 | 0 | 110.5 | S110 E114 F115 R116 | S110-D112 VanDerWaalsContact C-N 3.25Å; S110-D112 PolarHBondContact OG-N 3.03Å; S110-D112 PolarHBondContact OG-O 3.15Å; D112-E114 PolarHBondContact O-N 3.22Å; D112-E114 PolarHBondContact OD1-N 2.85Å; D112-F115 PolarHBondContact O-N 3.18Å; D112-R116 WeakPolarHBondContact OD2-CB 3.4Å; D112-R116 WeakPolarHBondContact OD2-CD 3.3Å; D112-R116 WeakPolarHBondContact OD2-CG 3.25Å; D112-R116 PolarHBondContact OD2-N 3.18Å; D112-R116 IonicContact OD2-NE 3.39Å; D112-R116 PolarHBondContact OD2-NE 3.13Å |
| 113 | P | 82.6 | Confident | 73.6 | Confident | 61 Ų | 61 | 56 Ų | 56 | 40% | 0.396 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28.9 | 173.9 | 22.1 | -34.4 | 0 | 0 | 0 | 114 | F115 Y143 | P113-F115 VanDerWaalsContact C-N 3.29Å; P113-F115 WeakPolarHBondContact O-CD2 3.34Å; P113-Y143 HydrophobicContact CB-CD1 4.09Å; P113-Y143 HydrophobicContact CB-CD2 4.43Å; P113-Y143 HydrophobicContact CB-CE1 3.7Å; P113-Y143 HydrophobicContact CB-CE2 4.11Å; P113-Y143 HydrophobicContact CB-CG 4.43Å; P113-Y143 HydrophobicContact CG-CE2 4.38Å |
| 114 | E | 84.9 | Confident | 73.8 | Confident | 113 Ų | 113 | 60.2 Ų | 60.2 | 53% | 0.528 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 0.1 | 177.3 | -66.5 | 95.6 | -139.3 | 0 | 0 | 113.8 | D112 R116 | D112-E114 PolarHBondContact O-N 3.22Å; D112-E114 PolarHBondContact OD1-N 2.85Å; E114-R116 HydrophobicContact CB-CG 4.28Å; E114-R116 PolarHBondContact O-N 3.12Å; E114-R116 IonicContact OE2-CZ 3.48Å; E114-R116 IonicContact OE2-NE 2.8Å; E114-R116 PolarHBondContact OE2-NE 3.17Å; E114-R116 IonicContact OE2-NH2 2.74Å; E114-R116 PolarHBondContact OE2-NH2 3.28Å |
| 115 | F | 84.2 | Confident | 73.9 | Confident | 19 Ų | 19 | 63 Ų | 63 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | trans | 55.5 | 46.1 | -178.3 | -67.5 | -96.4 | 0 | 0 | 0 | 112.3 | D112 P113 I118 R145 | D112-F115 PolarHBondContact O-N 3.18Å; P113-F115 VanDerWaalsContact C-N 3.29Å; P113-F115 WeakPolarHBondContact O-CD2 3.34Å; F115-I118 HydrophobicContact CB-CD1 4.01Å; F115-I118 HydrophobicContact CB-CG1 3.83Å; F115-I118 HydrophobicContact CD1-CG1 4.48Å; F115-I118 WeakPolarHBondContact O-CD1 3.38Å; F115-I118 WeakPolarHBondContact O-CG1 3.44Å; F115-R145 HydrophobicContact CD1-CG 4.14Å; F115-R145 HydrophobicContact CE1-CB 4.22Å; F115-R145 HydrophobicContact CE1-CG 3.64Å; F115-R145 HydrophobicContact CE2-CB 4.42Å; F115-R145 HydrophobicContact CE2-CG 4.35Å; F115-R145 HydrophobicContact CZ-CB 3.85Å; F115-R145 HydrophobicContact CZ-CG 3.76Å | ||
| 116 | R | 83.7 | Confident | 73.7 | Confident | 197 Ų | 197 | 64.3 Ų | 64.3 | 74% | 0.743 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -76 | -32 | 174.6 | -61.2 | 170 | -151.2 | -139.6 | 3.9 | 113.1 | D112 E114 | D112-R116 WeakPolarHBondContact OD2-CB 3.4Å; D112-R116 WeakPolarHBondContact OD2-CD 3.3Å; D112-R116 WeakPolarHBondContact OD2-CG 3.25Å; D112-R116 PolarHBondContact OD2-N 3.18Å; D112-R116 IonicContact OD2-NE 3.39Å; D112-R116 PolarHBondContact OD2-NE 3.13Å; E114-R116 HydrophobicContact CB-CG 4.28Å; E114-R116 PolarHBondContact O-N 3.12Å; E114-R116 IonicContact OE2-CZ 3.48Å; E114-R116 IonicContact OE2-NE 2.8Å; E114-R116 PolarHBondContact OE2-NE 3.17Å; E114-R116 IonicContact OE2-NH2 2.74Å; E114-R116 PolarHBondContact OE2-NH2 3.28Å |
| 117 | D | 82.1 | Confident | 73 | Confident | 114 Ų | 114 | 71 Ų | 71 | 61% | 0.61 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -115.5 | 99.2 | 174.5 | -177 | 22.4 | 0 | 0 | 0 | 109.6 | S110 | S110-D117 WeakPolarHBondContact CB-O 3.4Å; S110-D117 PolarHBondContact OG-O 3.22Å |
| 118 | I | 81.9 | Confident | 72.5 | Confident | 60 Ų | 60 | 75.8 Ų | 75.8 | 31% | 0.308 | 38% | 0.38 | S | S | . | . | trans | -107.7 | 131.8 | -167.7 | -56.5 | 168 | 0 | 0 | 0 | 110.6 | Q108 F115 T120 R145 | Q108-I118 HydrophobicContact CB-CG2 3.64Å; Q108-I118 HydrophobicContact CG-CG2 3.97Å; F115-I118 HydrophobicContact CB-CD1 4.01Å; F115-I118 HydrophobicContact CB-CG1 3.83Å; F115-I118 HydrophobicContact CD1-CG1 4.48Å; F115-I118 WeakPolarHBondContact O-CD1 3.38Å; F115-I118 WeakPolarHBondContact O-CG1 3.44Å; I118-T120 HydrophobicContact CG2-CG2 3.66Å; I118-R145 VanDerWaalsContact CD1-NH2 3.32Å | ||
| 119 | Q | 80.3 | Confident | 72.1 | Confident | 111 Ų | 111 | 77.5 Ų | 77.5 | 52% | 0.519 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.2 | 160 | -64.9 | -171.7 | -19.8 | 0 | 0 | 109.6 | Q108 W109 | Q108-Q119 VanDerWaalsContact CA-O 3.32Å; Q108-Q119 WeakPolarHBondContact CA-O 3.31Å; W109-Q119 HydrophobicContact CD2-CB 3.97Å; W109-Q119 HydrophobicContact CG-CB 4.37Å; W109-Q119 HydrophobicContact CH2-CB 4.24Å; W109-Q119 HydrophobicContact CZ2-CB 3.54Å; W109-Q119 PolarHBondContact N-O 3.49Å; W109-Q119 PolarHBondContact O-N 3.3Å |
| 120 | T | 72.8 | Confident | 71.8 | Confident | 87 Ų | 87 | 78 Ų | 78 | 53% | 0.534 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 139.5 | -175.3 | 62.9 | 0 | 0 | 0 | 0 | 111.2 | R107 Q108 I118 | R107-T120 CarbonylContact O-C 3.58Å; R107-T120 WeakPolarHBondContact O-CA 3.46Å; Q108-T120 HydrophobicContact CG-CG2 3.91Å; I118-T120 HydrophobicContact CG2-CG2 3.66Å |
| 121 | M | 71.6 | Confident | 71.4 | Confident | 88 Ų | 88 | 78.3 Ų | 78.3 | 43% | 0.433 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 126.1 | 168.4 | -170.8 | 179 | -175.9 | 0 | 0 | 110.3 | R107 W109 | R107-M121 PolarHBondContact N-O 3.46Å; R107-M121 PolarHBondContact NH2-SD 3.37Å; R107-M121 PolarHBondContact O-N 3.04Å; W109-M121 HydrophobicContact CH2-CB 3.83Å; W109-M121 HydrophobicContact CZ3-CB 3.64Å |
| 122 | I | 60.5 | Low | 71.3 | Confident | 98 Ų | 98 | 78.8 Ų | 78.8 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125 | 175.9 | -59.4 | 170.6 | 0 | 0 | 0 | 108.6 | A104 E106 V124 | A104-I122 HydrophobicContact CB-CG2 4.1Å; E106-I122 HydrophobicContact CB-CG1 4.37Å; E106-I122 HydrophobicContact CG-CG1 4.03Å; I122-V124 HydrophobicContact CG2-CG2 4.47Å |
| 123 | I | 61.2 | Low | 71.3 | Confident | 32 Ų | 32 | 77.4 Ų | 77.4 | 16% | 0.164 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.6 | 169.3 | -64.5 | 176.8 | 0 | 0 | 0 | 108.4 | A104 Y105 R107 D125 A131 | A104-I123 CarbonylContact C-O 3.46Å; A104-I123 WeakPolarHBondContact CA-O 3.39Å; Y105-I123 PolarHBondContact N-O 3.17Å; Y105-I123 PolarHBondContact O-N 2.91Å; R107-I123 VanDerWaalsContact NE-CD1 3.26Å; I123-D125 HydrophobicContact CG2-CB 4.33Å; I123-D125 WeakPolarHBondContact CG2-O 3.49Å; I123-A131 HydrophobicContact CD1-CB 3.27Å |
| 124 | V | 52.6 | Low | 71.5 | Confident | 92 Ų | 92 | 77.7 Ų | 77.7 | 56% | 0.558 | 40% | 0.399 | S | S | * | . | trans | -98.5 | -16.1 | 176 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | I122 L126 | I122-V124 HydrophobicContact CG2-CG2 4.47Å; V124-L126 PolarHBondContact O-N 3.01Å | ||
| 125 | D | 54.7 | Low | 71.5 | Confident | 75 Ų | 75 | 79.6 Ų | 79.6 | 40% | 0.401 | 41% | 0.413 | S | S | . | . | trans | -90.2 | 103.4 | -178.2 | -171 | 5.8 | 0 | 0 | 0 | 112.1 | I123 Q127 | I123-D125 HydrophobicContact CG2-CB 4.33Å; I123-D125 WeakPolarHBondContact CG2-O 3.49Å; D125-Q127 VanDerWaalsContact C-N 3.34Å; D125-Q127 VanDerWaalsContact OD1-CB 3.29Å; D125-Q127 WeakPolarHBondContact OD1-CB 3.38Å; D125-Q127 WeakPolarHBondContact OD1-CG 3.41Å; D125-Q127 PolarHBondContact OD1-N 2.84Å | ||
| 126 | L | 56 | Low | 71.7 | Confident | 31 Ų | 31 | 79 Ų | 79 | 16% | 0.162 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -5.8 | 174.6 | -64.8 | -178 | 0 | 0 | 0 | 113.9 | L94 G103 Y105 V124 Q128 | L94-L126 VanDerWaalsContact CD2-O 3.3Å; L94-L126 WeakPolarHBondContact CD2-O 3.43Å; G103-L126 WeakPolarHBondContact O-CD2 3.33Å; G103-L126 WeakPolarHBondContact O-CG 3.48Å; Y105-L126 HydrophobicContact CD2-CD2 3.56Å; Y105-L126 HydrophobicContact CE2-CD2 3.24Å; Y105-L126 HydrophobicContact CG-CD2 4.42Å; V124-L126 PolarHBondContact O-N 3.01Å; L126-Q128 PolarHBondContact O-N 3.06Å |
| 127 | Q | 53.4 | Low | 71.8 | Confident | 175 Ų | 175 | 72.7 Ų | 72.7 | 82% | 0.818 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -20 | -179.1 | -63.5 | -169.7 | -8.2 | 0 | 0 | 112.1 | D125 | D125-Q127 VanDerWaalsContact C-N 3.34Å; D125-Q127 VanDerWaalsContact OD1-CB 3.29Å; D125-Q127 WeakPolarHBondContact OD1-CB 3.38Å; D125-Q127 WeakPolarHBondContact OD1-CG 3.41Å; D125-Q127 PolarHBondContact OD1-N 2.84Å |
| 128 | Q | 56.6 | Low | 72 | Confident | 102 Ų | 102 | 70.5 Ų | 70.5 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | trans | -97.8 | 116.6 | 177.7 | -58.8 | -168.6 | 4.5 | 0 | 0 | 110.1 | L126 C130 | L126-Q128 PolarHBondContact O-N 3.06Å; Q128-C130 WeakPolarHBondContact CB-O 3.33Å; Q128-C130 PolarHBondContact O-N 3.44Å | ||
| 129 | P | 68.2 | Low | 72 | Confident | 53 Ų | 53 | 73 Ų | 73 | 34% | 0.344 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -71.3 | 0.5 | 177.2 | 32.6 | -37.6 | 0 | 0 | 0 | 112.2 | W88 F89 L94 | W88-P129 CarbonylContact C-O 3.56Å; W88-P129 WeakPolarHBondContact CA-O 3.41Å; W88-P129 HydrophobicContact CZ3-CG 4.41Å; F89-P129 PolarHBondContact N-O 3.29Å; L94-P129 HydrophobicContact CD1-CB 3.83Å |
| 130 | C | 73.4 | Confident | 72.4 | Confident | 32 Ų | 32 | 71.7 Ų | 71.7 | 22% | 0.216 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 160.6 | 180 | 68.6 | 0 | 0 | 0 | 0 | 111.9 | V86 I87 W88 Q128 | V86-C130 HydrophobicContact CG1-CB 4.12Å; I87-C130 CarbonylContact O-C 3.56Å; I87-C130 WeakPolarHBondContact O-CA 3.26Å; I87-C130 VanDerWaalsContact O-CB 3.27Å; I87-C130 WeakPolarHBondContact O-CB 3.29Å; W88-C130 HydrophobicContact CD2-CB 3.52Å; W88-C130 HydrophobicContact CE3-CB 3.51Å; W88-C130 HydrophobicContact CG-CB 4.03Å; W88-C130 HydrophobicContact CH2-CB 4.13Å; W88-C130 HydrophobicContact CZ2-CB 4.16Å; W88-C130 HydrophobicContact CZ3-CB 3.81Å; Q128-C130 WeakPolarHBondContact CB-O 3.33Å; Q128-C130 PolarHBondContact O-N 3.44Å |
| 131 | A | 73.7 | Confident | 73.2 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 9% | 0.091 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 144.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I87 R107 I123 | I87-A131 PolarHBondContact N-O 3.48Å; I87-A131 PolarHBondContact O-N 3.15Å; R107-A131 PolarHBondContact NH1-O 2.93Å; I123-A131 HydrophobicContact CD1-CB 3.27Å |
| 132 | T | 80.5 | Confident | 74.2 | Confident | 74 Ų | 74 | 67.8 Ų | 67.8 | 45% | 0.454 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 140.3 | -179.1 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | L85 R107 | L85-T132 CarbonylContact O-C 3.49Å; L85-T132 WeakPolarHBondContact O-CA 3.47Å; R107-T132 PolarHBondContact NH1-O 2.99Å |
| 133 | I | 83.3 | Confident | 75.5 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 106.2 | 164.4 | -55.6 | 168.1 | 0 | 0 | 0 | 107 | S84 L85 I87 W109 L136 V144 | S84-I133 WeakPolarHBondContact CA-O 3.45Å; S84-I133 WeakPolarHBondContact CB-O 3.35Å; L85-I133 PolarHBondContact N-O 3.19Å; L85-I133 PolarHBondContact O-N 3.33Å; I87-I133 HydrophobicContact CD1-CD1 3.37Å; I87-I133 HydrophobicContact CD1-CG1 3.76Å; I87-I133 HydrophobicContact CG1-CD1 4.12Å; W109-I133 HydrophobicContact CB-CD1 4.16Å; W109-I133 HydrophobicContact CD2-CD1 4.11Å; W109-I133 HydrophobicContact CD2-CG1 4.47Å; W109-I133 HydrophobicContact CD2-CG2 3.76Å; W109-I133 HydrophobicContact CE3-CD1 4.1Å; W109-I133 HydrophobicContact CE3-CG1 4.27Å; W109-I133 HydrophobicContact CE3-CG2 4.17Å; W109-I133 HydrophobicContact CG-CD1 4.15Å; W109-I133 HydrophobicContact CG-CG2 4.25Å; W109-I133 HydrophobicContact CH2-CG2 4.25Å; W109-I133 HydrophobicContact CZ2-CG2 3.82Å; W109-I133 HydrophobicContact CZ3-CG2 4.4Å; I133-L136 HydrophobicContact CB-CD1 4.14Å; I133-L136 HydrophobicContact CG2-CD1 3.92Å; I133-L136 HydrophobicContact CG2-CD2 3.7Å; I133-L136 HydrophobicContact CG2-CG 3.92Å; I133-V144 HydrophobicContact CD1-CG2 3.87Å |
| 134 | P | 86.3 | Confident | 76.8 | Confident | 67 Ų | 67 | 64 Ų | 64 | 44% | 0.435 | 35% | 0.351 | S | S | . | . | trans | -83.8 | 174.4 | 179.3 | 35.1 | -35.3 | 0 | 0 | 0 | 112.2 | L136 | P134-L136 VanDerWaalsContact C-N 3.3Å; P134-L136 PolarHBondContact O-N 3.3Å | ||
| 135 | N | 85.1 | Confident | 78.4 | Confident | 152 Ų | 152 | 62.3 Ų | 62.3 | 81% | 0.813 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 58.5 | 32.5 | 168.6 | -54 | -30.7 | 0 | 0 | 0 | 115.5 | S83 | S83-N135 PolarHBondContact O-N 3.33Š|
| 136 | L | 87.7 | Confident | 79.9 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 150.1 | 175 | -59.3 | 179.7 | 0 | 0 | 0 | 111.2 | S83 L85 I133 P134 Y142 P167 | S83-L136 VanDerWaalsContact CA-O 3.27Å; S83-L136 WeakPolarHBondContact CA-O 3.14Å; S83-L136 WeakPolarHBondContact CB-O 3.32Å; S83-L136 PolarHBondContact O-N 3.44Å; L85-L136 HydrophobicContact CB-CD1 4.05Å; L85-L136 HydrophobicContact CD1-CD1 3.99Å; L85-L136 HydrophobicContact CG-CD1 3.66Å; I133-L136 HydrophobicContact CB-CD1 4.14Å; I133-L136 HydrophobicContact CG2-CD1 3.92Å; I133-L136 HydrophobicContact CG2-CD2 3.7Å; I133-L136 HydrophobicContact CG2-CG 3.92Å; P134-L136 VanDerWaalsContact C-N 3.3Å; P134-L136 PolarHBondContact O-N 3.3Å; L136-Y142 HydrophobicContact CB-CD2 4.45Å; L136-Y142 HydrophobicContact CB-CE2 3.82Å; L136-Y142 HydrophobicContact CD1-CD2 4.22Å; L136-Y142 HydrophobicContact CD1-CE2 4.38Å; L136-Y142 HydrophobicContact CD1-CG 4.36Å; L136-Y142 HydrophobicContact CD2-CD1 4.06Å; L136-Y142 HydrophobicContact CD2-CE1 3.68Å; L136-Y142 HydrophobicContact CD2-CE2 4.28Å; L136-Y142 HydrophobicContact CD2-CG 4.5Å; L136-Y142 HydrophobicContact CG-CE2 4.39Å; L136-P167 HydrophobicContact CB-CB 4.46Å; L136-P167 HydrophobicContact CB-CG 3.77Å; L136-P167 HydrophobicContact CD1-CG 3.88Å |
| 137 | C | 87 | Confident | 81.1 | Confident | 65 Ų | 65 | 58.8 Ų | 58.8 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 131.5 | 174.1 | -68.7 | 0 | 0 | 0 | 0 | 110.1 | M140 Y142 | C137-M140 HydrophobicContact CB-CB 4.39Å; C137-M140 HydrophobicContact CB-CG 3.97Å; C137-M140 HydrophobicContact CB-SD 3.45Å; C137-M140 WeakPolarHBondContact CB-SD 3.4Å; C137-Y142 PolarHBondContact N-OH 3.06Å |
| 138 | P | 85.6 | Confident | 82.2 | Confident | 68 Ų | 68 | 50.6 Ų | 50.6 | 44% | 0.442 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 152.1 | 173.2 | 26 | -32.8 | 0 | 0 | 0 | 110.6 | A82 M140 P167 | A82-P138 WeakPolarHBondContact O-CA 3.39Å; A82-P138 WeakPolarHBondContact O-CB 3.45Å; P138-M140 PolarHBondContact O-N 2.88Å; P138-M140 VanDerWaalsContact O-N 3.16Å; P138-P167 WeakPolarHBondContact CA-O 3.39Å |
| 139 | N | 81.9 | Confident | 82.8 | Confident | 114 Ų | 114 | 45.9 Ų | 45.9 | 61% | 0.61 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 17.4 | 175 | -56.7 | -37.1 | 0 | 0 | 0 | 115.4 | P167 | N139-P167 PolarHBondContact N-O 3.39Š|
| 140 | M | 87.6 | Confident | 82.7 | Confident | 82 Ų | 82 | 44.3 Ų | 44.3 | 40% | 0.404 | 24% | 0.243 | S | C | . | . | trans | -110.1 | 138.8 | 172.4 | -66.5 | -170.6 | 72.6 | 0 | 0 | 111.4 | T111 C137 P138 Y142 T166 P167 | T111-M140 HydrophobicContact CG2-CE 3.77Å; C137-M140 HydrophobicContact CB-CB 4.39Å; C137-M140 HydrophobicContact CB-CG 3.97Å; C137-M140 HydrophobicContact CB-SD 3.45Å; C137-M140 WeakPolarHBondContact CB-SD 3.4Å; P138-M140 PolarHBondContact O-N 2.88Å; P138-M140 VanDerWaalsContact O-N 3.16Å; M140-Y142 HydrophobicContact CB-CE2 3.85Å; M140-Y142 VanDerWaalsContact O-CD2 3.24Å; M140-Y142 WeakPolarHBondContact O-CD2 3.42Å; M140-T166 WeakPolarHBondContact O-CA 3.33Å; M140-T166 WeakPolarHBondContact O-CG2 3.42Å; M140-P167 WeakPolarHBondContact O-CD 3.39Å | ||
| 141 | N | 90.8 | Very high | 82.2 | Confident | 76 Ų | 76 | 47.1 Ų | 47.1 | 41% | 0.406 | 25% | 0.252 | S | S | . | . | trans | -75 | 130.9 | 175.9 | -70 | -19.2 | 0 | 0 | 0 | 110 | T111 Y143 C164 T166 | T111-N141 WeakPolarHBondContact CA-O 3.44Å; N141-Y143 HydrophobicContact CB-CE2 4.49Å; N141-C164 HydrophobicContact CB-CB 4.5Å; N141-T166 PolarHBondContact OD1-OG1 3.31Å | ||
| 142 | Y | 91.3 | Very high | 81.7 | Confident | 17 Ų | 17 | 51.1 Ų | 51.1 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.9 | 172.3 | -70.2 | -87.6 | 0 | 0 | 0 | 110.4 | L85 W109 S110 T111 L136 C137 M140 C164 L165 P167 | L85-Y142 HydrophobicContact CD1-CG 4.5Å; W109-Y142 AromaticContact CD1-CD1 3.99Å; S110-Y142 WeakPolarHBondContact O-CA 3.28Å; T111-Y142 HydrophobicContact CG2-CD1 4.03Å; T111-Y142 HydrophobicContact CG2-CE1 3.63Å; L136-Y142 HydrophobicContact CB-CD2 4.45Å; L136-Y142 HydrophobicContact CB-CE2 3.82Å; L136-Y142 HydrophobicContact CD1-CD2 4.22Å; L136-Y142 HydrophobicContact CD1-CE2 4.38Å; L136-Y142 HydrophobicContact CD1-CG 4.36Å; L136-Y142 HydrophobicContact CD2-CD1 4.06Å; L136-Y142 HydrophobicContact CD2-CE1 3.68Å; L136-Y142 HydrophobicContact CD2-CE2 4.28Å; L136-Y142 HydrophobicContact CD2-CG 4.5Å; L136-Y142 HydrophobicContact CG-CE2 4.39Å; C137-Y142 PolarHBondContact N-OH 3.06Å; M140-Y142 HydrophobicContact CB-CE2 3.85Å; M140-Y142 VanDerWaalsContact O-CD2 3.24Å; M140-Y142 WeakPolarHBondContact O-CD2 3.42Å; Y142-C164 VanDerWaalsContact O-CA 3.23Å; Y142-C164 WeakPolarHBondContact O-CA 3.39Å; Y142-C164 WeakPolarHBondContact O-CB 3.38Å; Y142-L165 PolarHBondContact N-O 3.24Å; Y142-L165 PolarHBondContact O-N 3.15Å; Y142-P167 HydrophobicContact CD2-CG 3.76Å; Y142-P167 HydrophobicContact CE2-CG 3.85Å |
| 143 | Y | 89.7 | Confident | 81.1 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 20% | 0.204 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 139.1 | 170.8 | -59.2 | -93.9 | 0 | 0 | 0 | 107.7 | W109 S110 P113 N141 L163 C164 | W109-Y143 WeakPolarHBondContact CA-O 3.28Å; W109-Y143 WeakPolarHBondContact CB-O 3.48Å; S110-Y143 PolarHBondContact N-O 3.14Å; S110-Y143 PolarHBondContact O-N 3.39Å; P113-Y143 HydrophobicContact CB-CD1 4.09Å; P113-Y143 HydrophobicContact CB-CD2 4.43Å; P113-Y143 HydrophobicContact CB-CE1 3.7Å; P113-Y143 HydrophobicContact CB-CE2 4.11Å; P113-Y143 HydrophobicContact CB-CG 4.43Å; P113-Y143 HydrophobicContact CG-CE2 4.38Å; N141-Y143 HydrophobicContact CB-CE2 4.49Å; Y143-L163 WeakPolarHBondContact CD1-O 3.5Å; Y143-C164 HydrophobicContact CD1-CB 3.78Å; Y143-C164 HydrophobicContact CE1-CB 3.58Å; Y143-C164 HydrophobicContact CE2-CB 4.31Å; Y143-C164 HydrophobicContact CG-CB 4.25Å |
| 144 | V | 87.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 133.6 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 109 | M77 I87 Q108 W109 I133 A160 | M77-V144 HydrophobicContact CE-CB 3.58Å; M77-V144 HydrophobicContact CE-CG2 3.68Å; I87-V144 HydrophobicContact CD1-CB 4.38Å; I87-V144 HydrophobicContact CD1-CG1 3.32Å; I87-V144 HydrophobicContact CD1-CG2 4.28Å; I87-V144 HydrophobicContact CG1-CG1 3.9Å; I87-V144 HydrophobicContact CG1-CG2 4.49Å; Q108-V144 WeakPolarHBondContact O-CA 3.29Å; W109-V144 HydrophobicContact CB-CG2 4.09Å; I133-V144 HydrophobicContact CD1-CG2 3.87Å; V144-A160 HydrophobicContact CB-CB 4.17Å; V144-A160 HydrophobicContact CG1-CB 4.48Å; V144-A160 PolarHBondContact O-N 2.99Å |
| 145 | R | 86.4 | Confident | 80.5 | Confident | 55 Ų | 55 | 50 Ų | 50 | 21% | 0.208 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.6 | 165 | 66.1 | -170.6 | -175.6 | -178.4 | 4.8 | 110.5 | Q108 F115 I118 Y147 A157 A158 | Q108-R145 HydrophobicContact CB-CG 3.8Å; Q108-R145 PolarHBondContact N-O 3.11Å; Q108-R145 PolarHBondContact O-N 3.33Å; F115-R145 HydrophobicContact CD1-CG 4.14Å; F115-R145 HydrophobicContact CE1-CB 4.22Å; F115-R145 HydrophobicContact CE1-CG 3.64Å; F115-R145 HydrophobicContact CE2-CB 4.42Å; F115-R145 HydrophobicContact CE2-CG 4.35Å; F115-R145 HydrophobicContact CZ-CB 3.85Å; F115-R145 HydrophobicContact CZ-CG 3.76Å; I118-R145 VanDerWaalsContact CD1-NH2 3.32Å; R145-Y147 WeakPolarHBondContact CD-OH 3.45Å; R145-Y147 HydrophobicContact CG-CE2 3.93Å; R145-Y147 PolarHBondContact NE-OH 3.36Å; R145-Y147 PolarHBondContact NH2-OH 3.31Å; R145-A157 HydrophobicContact CB-CB 4.34Å; R145-A158 CarbonylContact C-O 3.44Å; R145-A158 WeakPolarHBondContact CA-O 3.33Å |
| 146 | A | 85.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 153.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P73 F89 E106 R107 A158 | P73-A146 HydrophobicContact CG-CB 4.38Å; F89-A146 HydrophobicContact CE1-CB 3.73Å; F89-A146 HydrophobicContact CZ-CB 4.48Å; E106-A146 CarbonylContact O-C 3.5Å; E106-A146 VanDerWaalsContact O-CA 3.25Å; E106-A146 WeakPolarHBondContact O-CA 3.3Å; R107-A146 HydrophobicContact CG-CB 4.33Å; A146-A158 PolarHBondContact N-O 3.46Å; A146-A158 PolarHBondContact O-N 3.07Å |
| 147 | Y | 81.4 | Confident | 80.2 | Confident | 33 Ų | 33 | 51 Ų | 51 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 136.6 | -177.9 | -56.4 | -101.8 | 0 | 0 | 0 | 108.4 | Y105 E106 Q108 R145 S155 A157 | Y105-Y147 VanDerWaalsContact CA-O 3.31Å; Y105-Y147 WeakPolarHBondContact CA-O 3.44Å; E106-Y147 HydrophobicContact CB-CD2 4.15Å; E106-Y147 HydrophobicContact CG-CD2 4.39Å; E106-Y147 PolarHBondContact N-O 3.32Å; E106-Y147 WeakPolarHBondContact O-CD2 3.21Å; E106-Y147 PolarHBondContact O-N 3.04Å; Q108-Y147 HydrophobicContact CG-CE2 3.92Å; R145-Y147 WeakPolarHBondContact CD-OH 3.45Å; R145-Y147 HydrophobicContact CG-CE2 3.93Å; R145-Y147 PolarHBondContact NE-OH 3.36Å; R145-Y147 PolarHBondContact NH2-OH 3.31Å; Y147-S155 VanDerWaalsContact CD1-O 3.31Å; Y147-S155 WeakPolarHBondContact CD1-O 3.45Å; Y147-A157 HydrophobicContact CD1-CB 4.24Å; Y147-A157 HydrophobicContact CE1-CB 3.49Å; Y147-A157 VanDerWaalsContact CE1-CB 3.49Å; Y147-A157 HydrophobicContact CE2-CB 4.33Å |
| 148 | A | 77.9 | Confident | 80.1 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 118.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | P70 P73 Y105 S155 | P70-A148 HydrophobicContact CB-CB 3.75Å; P70-A148 WeakPolarHBondContact CD-O 3.41Å; P70-A148 HydrophobicContact CG-CB 4.35Å; P70-A148 WeakPolarHBondContact CG-O 3.33Å; P73-A148 HydrophobicContact CB-CB 4.36Å; P73-A148 HydrophobicContact CG-CB 4.14Å; Y105-A148 HydrophobicContact CE1-CB 4.27Å; A148-S155 PolarHBondContact N-OG 3.01Å; A148-S155 WeakPolarHBondContact O-CB 3.42Å; A148-S155 PolarHBondContact O-N 3.28Å |
| 149 | G | 68.9 | Low | 80.2 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 147.8 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | G103 A104 G153 F154 | G103-G149 CarbonylContact C-O 3.42Å; G103-G149 WeakPolarHBondContact CA-O 3.34Å; A104-G149 PolarHBondContact N-O 2.94Å; A104-G149 VanDerWaalsContact N-O 3.12Å; A104-G149 WeakPolarHBondContact O-CA 3.43Å; A104-G149 PolarHBondContact O-N 3.12Å; G149-G153 CarbonylContact C-O 3.59Å; G149-G153 WeakPolarHBondContact CA-O 3.17Å; G149-F154 VanDerWaalsContact CA-CD1 3.45Å |
| 150 | N | 66.1 | Low | 80.4 | Confident | 21 Ų | 21 | 43.3 Ų | 43.3 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | -170.3 | 161.2 | 66.2 | 12.3 | 0 | 0 | 0 | 108.9 | C66 S68 P70 K152 G153 | C66-N150 PolarHBondContact SG-ND2 3.34Å; S68-N150 PolarHBondContact O-ND2 2.86Å; P70-N150 HydrophobicContact CG-CB 3.96Å; N150-K152 PolarHBondContact O-N 2.79Å; N150-K152 WeakPolarHBondContact OD1-CA 3.22Å; N150-K152 VanDerWaalsContact OD1-CB 3.29Å; N150-K152 WeakPolarHBondContact OD1-CB 3.42Å; N150-K152 PolarHBondContact OD1-N 2.87Å; N150-G153 PolarHBondContact N-O 2.82Å; N150-G153 PolarHBondContact O-N 3.42Å; N150-G153 VanDerWaalsContact O-N 3.17Å; N150-G153 PolarHBondContact OD1-N 3.23Å; N150-G153 VanDerWaalsContact OD1-N 3.15Å; N150-G153 PolarHBondContact OD1-O 3.25Å |
| 151 | F | 62.3 | Low | 80.3 | Confident | 90 Ų | 90 | 44.4 Ų | 44.4 | 40% | 0.395 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.1 | 178.6 | 70.8 | -85.2 | 0 | 0 | 0 | 114.2 | E64 C66 Y101 | E64-F151 HydrophobicContact CB-CE2 4.48Å; E64-F151 HydrophobicContact CB-CZ 4.23Å; E64-F151 HydrophobicContact CG-CE2 4.44Å; E64-F151 WeakPolarHBondContact OE2-CE2 3.31Å; C66-F151 HydrophobicContact CB-CE1 3.46Å; C66-F151 VanDerWaalsContact CB-CE1 3.46Å; C66-F151 HydrophobicContact CB-CZ 3.64Å; Y101-F151 AromaticContact CD1-CD1 3.99Å; Y101-F151 HydrophobicContact CD1-CD1 3.99Å; Y101-F151 HydrophobicContact CD1-CE1 4.17Å; Y101-F151 AromaticContact CD2-CD1 3.89Å; Y101-F151 HydrophobicContact CD2-CD1 3.89Å; Y101-F151 AromaticContact CD2-CE1 3.6Å; Y101-F151 HydrophobicContact CD2-CE1 3.6Å; Y101-F151 HydrophobicContact CE1-CD1 4.14Å; Y101-F151 AromaticContact CE1-CE1 3.93Å; Y101-F151 HydrophobicContact CE1-CE1 3.93Å; Y101-F151 HydrophobicContact CE2-CD1 4.14Å; Y101-F151 AromaticContact CE2-CE1 3.43Å; Y101-F151 HydrophobicContact CE2-CE1 3.43Å; Y101-F151 VanDerWaalsContact CE2-CE1 3.43Å; Y101-F151 HydrophobicContact CE2-CZ 4.37Å; Y101-F151 AromaticContact CG-CD1 3.83Å; Y101-F151 HydrophobicContact CG-CD1 3.83Å; Y101-F151 AromaticContact CG-CE1 3.99Å; Y101-F151 HydrophobicContact CG-CE1 3.99Å; Y101-F151 AromaticContact CZ-CE1 3.54Å |
| 152 | K | 63.2 | Low | 80.3 | Confident | 96 Ų | 96 | 42.9 Ų | 42.9 | 42% | 0.417 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -29.3 | 173.1 | -66.7 | -62.3 | -174 | -167.7 | 0 | 112.5 | E64 C66 V69 N150 | E64-K152 IonicContact OE2-NZ 3.24Å; E64-K152 PolarHBondContact OE2-NZ 2.79Å; C66-K152 WeakPolarHBondContact O-CE 3.47Å; C66-K152 WeakPolarHBondContact O-CG 3.29Å; V69-K152 HydrophobicContact CG2-CB 4.49Å; N150-K152 PolarHBondContact O-N 2.79Å; N150-K152 WeakPolarHBondContact OD1-CA 3.22Å; N150-K152 VanDerWaalsContact OD1-CB 3.29Å; N150-K152 WeakPolarHBondContact OD1-CB 3.42Å; N150-K152 PolarHBondContact OD1-N 2.87Å |
| 153 | G | 67.1 | Low | 80.2 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 24% | 0.237 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.9 | -167.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | G149 N150 | G149-G153 CarbonylContact C-O 3.59Å; G149-G153 WeakPolarHBondContact CA-O 3.17Å; N150-G153 PolarHBondContact N-O 2.82Å; N150-G153 PolarHBondContact O-N 3.42Å; N150-G153 VanDerWaalsContact O-N 3.17Å; N150-G153 PolarHBondContact OD1-N 3.23Å; N150-G153 VanDerWaalsContact OD1-N 3.15Å; N150-G153 PolarHBondContact OD1-O 3.25Å |
| 154 | F | 77.7 | Confident | 80.3 | Confident | 86 Ų | 86 | 47.3 Ų | 47.3 | 38% | 0.377 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 140.5 | -178.9 | -70.4 | -82.6 | 0 | 0 | 0 | 111.7 | V69 A104 E106 G149 | V69-F154 WeakPolarHBondContact CG1-O 3.25Å; A104-F154 HydrophobicContact CB-CE1 4.05Å; A104-F154 HydrophobicContact CB-CZ 4.31Å; E106-F154 HydrophobicContact CB-CD1 4.16Å; E106-F154 HydrophobicContact CB-CE1 3.8Å; E106-F154 HydrophobicContact CB-CZ 4.37Å; G149-F154 VanDerWaalsContact CA-CD1 3.45Å |
| 155 | S | 79.3 | Confident | 80.4 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | trans | -56.4 | 174.2 | 173.4 | 73.2 | 0 | 0 | 0 | 0 | 111.6 | P70 Y147 A148 | P70-S155 WeakPolarHBondContact O-CB 3.45Å; Y147-S155 VanDerWaalsContact CD1-O 3.31Å; Y147-S155 WeakPolarHBondContact CD1-O 3.45Å; A148-S155 PolarHBondContact N-OG 3.01Å; A148-S155 WeakPolarHBondContact O-CB 3.42Å; A148-S155 PolarHBondContact O-N 3.28Å | ||
| 156 | E | 83.4 | Confident | 80.6 | Confident | 142 Ų | 142 | 48.2 Ų | 48.2 | 66% | 0.664 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 161.3 | 160.2 | -68.9 | -175.4 | 161.3 | 0 | 0 | 111.3 | Q72 A158 | Q72-E156 HydrophobicContact CG-CB 3.84Å; Q72-E156 VanDerWaalsContact NE2-CB 3.32Å; Q72-E156 PolarHBondContact NE2-OE2 2.92Å; E156-A158 PolarHBondContact O-N 2.97Å |
| 157 | A | 84.3 | Confident | 80.7 | Confident | 36 Ų | 36 | 48.2 Ų | 48.2 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 122.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R145 Y147 | R145-A157 HydrophobicContact CB-CB 4.34Å; Y147-A157 HydrophobicContact CD1-CB 4.24Å; Y147-A157 HydrophobicContact CE1-CB 3.49Å; Y147-A157 VanDerWaalsContact CE1-CB 3.49Å; Y147-A157 HydrophobicContact CE2-CB 4.33Å |
| 158 | A | 84.6 | Confident | 80.7 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q72 P73 R145 A146 E156 | Q72-A158 HydrophobicContact CB-CB 4.21Å; P73-A158 HydrophobicContact CG-CB 3.97Å; P73-A158 WeakPolarHBondContact O-CB 3.46Å; R145-A158 CarbonylContact C-O 3.44Å; R145-A158 WeakPolarHBondContact CA-O 3.33Å; A146-A158 PolarHBondContact N-O 3.46Å; A146-A158 PolarHBondContact O-N 3.07Å; E156-A158 PolarHBondContact O-N 2.97Å |
| 159 | V | 86.8 | Confident | 80.6 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 47% | 0.473 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 135.5 | 174.5 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | L163 | V159-L163 HydrophobicContact CG1-CD2 3.75Å |
| 160 | A | 86.2 | Confident | 80.6 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 151.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C75 M77 V144 P162 L163 | C75-A160 HydrophobicContact CB-CB 3.9Å; C75-A160 WeakPolarHBondContact O-CA 3.35Å; M77-A160 HydrophobicContact CB-CB 4.14Å; M77-A160 HydrophobicContact CE-CB 3.4Å; M77-A160 VanDerWaalsContact CE-CB 3.4Å; M77-A160 HydrophobicContact CG-CB 4.11Å; V144-A160 HydrophobicContact CB-CB 4.17Å; V144-A160 HydrophobicContact CG1-CB 4.48Å; V144-A160 PolarHBondContact O-N 2.99Å; A160-P162 CarbonylContact C-O 3.5Å; A160-P162 CarbonylContact O-C 3.25Å; A160-P162 VanDerWaalsContact O-C 3.25Å; A160-L163 WeakPolarHBondContact O-CA 3.44Å |
| 161 | N | 86.8 | Confident | 80.6 | Confident | 104 Ų | 104 | 69.3 Ų | 69.3 | 56% | 0.556 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 132 | 173.1 | 179.3 | 61.6 | 0 | 0 | 0 | 110.4 | C75 F76 M77 | C75-N161 PolarHBondContact O-N 2.96Å; F76-N161 CarbonylContact C-O 3.41Å; F76-N161 VanDerWaalsContact CA-O 3.23Å; F76-N161 WeakPolarHBondContact CA-O 3.46Å; F76-N161 WeakPolarHBondContact CD2-O 3.4Å; F76-N161 WeakPolarHBondContact CE2-O 3.24Å; F76-N161 WeakPolarHBondContact CG-O 3.18Å; M77-N161 PolarHBondContact N-O 3.39Å |
| 162 | P | 91.1 | Very high | 80.8 | Confident | 44 Ų | 44 | 69.4 Ų | 69.4 | 29% | 0.286 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -62.8 | 161.1 | -8.3 | 30.3 | -37.9 | 0 | 0 | 0 | 112.6 | M77 A160 C164 L165 | M77-P162 VanDerWaalsContact CE-O 3.28Å; M77-P162 WeakPolarHBondContact CE-O 3.46Å; M77-P162 HydrophobicContact CG-CG 4.16Å; M77-P162 VanDerWaalsContact CG-O 3.26Å; M77-P162 WeakPolarHBondContact CG-O 3.48Å; M77-P162 WeakPolarHBondContact O-CD 3.31Å; A160-P162 CarbonylContact C-O 3.5Å; A160-P162 CarbonylContact O-C 3.25Å; A160-P162 VanDerWaalsContact O-C 3.25Å; P162-C164 VanDerWaalsContact C-N 3.26Å; P162-C164 PolarHBondContact O-N 2.92Å; P162-L165 HydrophobicContact CG-CD1 4.07Å; P162-L165 HydrophobicContact CG-CD2 3.61Å; P162-L165 HydrophobicContact CG-CG 3.67Å |
| 163 | L | 88.9 | Confident | 80.9 | Confident | 121 Ų | 121 | 68.2 Ų | 68.2 | 63% | 0.634 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.2 | -33.5 | -172.3 | -69.2 | 171.7 | 0 | 0 | 0 | 114.1 | Y143 V159 A160 | Y143-L163 WeakPolarHBondContact CD1-O 3.5Å; V159-L163 HydrophobicContact CG1-CD2 3.75Å; A160-L163 WeakPolarHBondContact O-CA 3.44Å |
| 164 | C | 90.5 | Very high | 80.5 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 28% | 0.277 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153 | 171.7 | 63.9 | 0 | 0 | 0 | 0 | 110.5 | N141 Y142 Y143 P162 | N141-C164 HydrophobicContact CB-CB 4.5Å; Y142-C164 VanDerWaalsContact O-CA 3.23Å; Y142-C164 WeakPolarHBondContact O-CA 3.39Å; Y142-C164 WeakPolarHBondContact O-CB 3.38Å; Y143-C164 HydrophobicContact CD1-CB 3.78Å; Y143-C164 HydrophobicContact CE1-CB 3.58Å; Y143-C164 HydrophobicContact CE2-CB 4.31Å; Y143-C164 HydrophobicContact CG-CB 4.25Å; P162-C164 VanDerWaalsContact C-N 3.26Å; P162-C164 PolarHBondContact O-N 2.92Å |
| 165 | L | 90.6 | Very high | 79.5 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 18% | 0.178 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.6 | 170.5 | -78.9 | 178.9 | 0 | 0 | 0 | 111.3 | M77 Q78 V79 L85 Y142 P162 | M77-L165 VanDerWaalsContact C-CD1 3.42Å; M77-L165 HydrophobicContact CB-CD1 3.94Å; M77-L165 HydrophobicContact CG-CD1 3.49Å; M77-L165 VanDerWaalsContact CG-CD1 3.49Å; M77-L165 HydrophobicContact CG-CG 3.87Å; M77-L165 WeakPolarHBondContact O-CD1 3.43Å; M77-L165 HydrophobicContact SD-CB 3.66Å; M77-L165 HydrophobicContact SD-CD1 3.72Å; M77-L165 HydrophobicContact SD-CG 3.52Å; M77-L165 VanDerWaalsContact SD-CG 3.52Å; Q78-L165 VanDerWaalsContact CA-CD1 3.44Å; V79-L165 HydrophobicContact CG2-CD1 4.5Å; L85-L165 HydrophobicContact CD1-CB 4.14Å; L85-L165 HydrophobicContact CD2-CB 3.86Å; L85-L165 HydrophobicContact CD2-CD1 4.46Å; Y142-L165 PolarHBondContact N-O 3.24Å; Y142-L165 PolarHBondContact O-N 3.15Å; P162-L165 HydrophobicContact CG-CD1 4.07Å; P162-L165 HydrophobicContact CG-CD2 3.61Å; P162-L165 HydrophobicContact CG-CG 3.67Å |
| 166 | T | 89.6 | Confident | 78.4 | Confident | 41 Ų | 41 | 75.4 Ų | 75.4 | 25% | 0.252 | 39% | 0.39 | S | S | . | . | trans | -105.8 | 115.6 | 176.4 | -36 | 0 | 0 | 0 | 0 | 109.3 | V79 M140 N141 S168 | V79-T166 WeakPolarHBondContact CG2-O 3.39Å; M140-T166 WeakPolarHBondContact O-CA 3.33Å; M140-T166 WeakPolarHBondContact O-CG2 3.42Å; N141-T166 PolarHBondContact OD1-OG1 3.31Å; T166-S168 PolarHBondContact O-N 3.47Å; T166-S168 VanDerWaalsContact O-N 3.13Å; T166-S168 PolarHBondContact O-OG 3.19Å | ||
| 167 | P | 87.5 | Confident | 77.1 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 39% | 0.39 | C | S | . | . | trans | -55.9 | 120.3 | 168.1 | -18.8 | 29.2 | 0 | 0 | 0 | 108.7 | A82 L85 L136 P138 N139 M140 Y142 | A82-P167 CarbonylContact O-C 3.51Å; A82-P167 WeakPolarHBondContact O-CB 3.49Å; L85-P167 HydrophobicContact CD2-CG 4.07Å; L85-P167 HydrophobicContact CG-CG 4.05Å; L136-P167 HydrophobicContact CB-CB 4.46Å; L136-P167 HydrophobicContact CB-CG 3.77Å; L136-P167 HydrophobicContact CD1-CG 3.88Å; P138-P167 WeakPolarHBondContact CA-O 3.39Å; N139-P167 PolarHBondContact N-O 3.39Å; M140-P167 WeakPolarHBondContact O-CD 3.39Å; Y142-P167 HydrophobicContact CD2-CG 3.76Å; Y142-P167 HydrophobicContact CE2-CG 3.85Å | ||
| 168 | S | 81.9 | Confident | 75.7 | Confident | 44 Ų | 44 | 77.3 Ų | 77.3 | 31% | 0.308 | 39% | 0.39 | S | S | . | . | trans | -154.1 | 148.4 | -175.1 | 53.2 | 0 | 0 | 0 | 0 | 110.1 | V79 T166 | V79-S168 WeakPolarHBondContact CG1-O 3.37Å; T166-S168 PolarHBondContact O-N 3.47Å; T166-S168 VanDerWaalsContact O-N 3.13Å; T166-S168 PolarHBondContact O-OG 3.19Å | ||
| 169 | C | 76.2 | Confident | 74.2 | Confident | 38 Ų | 38 | 81.6 Ų | 81.6 | 26% | 0.257 | 42% | 0.417 | S | S | . | . | trans | -112.1 | 140.3 | 168.7 | -168.3 | 0 | 0 | 0 | 0 | 109.7 | A82 R171 D172 | A82-C169 HydrophobicContact CB-CB 3.93Å; C169-R171 HydrophobicContact CB-CB 4.48Å; C169-R171 PolarHBondContact O-N 3.16Å; C169-D172 VanDerWaalsContact CB-OD2 3.28Å; C169-D172 WeakPolarHBondContact CB-OD2 3.47Å; C169-D172 PolarHBondContact N-OD2 3Å; C169-D172 PolarHBondContact O-N 3.18Å | ||
| 170 | W | 68.2 | Low | 72.6 | Confident | 193 Ų | 193 | 89 Ų | 89 | 73% | 0.731 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -19.9 | 170 | -68.1 | 98.1 | 0 | 0 | 0 | 113.4 | L173 F178 | W170-L173 HydrophobicContact CD2-CD1 4.4Å; W170-L173 HydrophobicContact CE3-CD1 3.64Å; W170-L173 HydrophobicContact CZ3-CD1 4Å; W170-F178 HydrophobicContact CD2-CZ 4.41Å; W170-F178 AromaticContact CE3-CE1 3.46Å; W170-F178 HydrophobicContact CE3-CE1 3.46Å; W170-F178 VanDerWaalsContact CE3-CE1 3.46Å; W170-F178 HydrophobicContact CE3-CE2 4.01Å; W170-F178 AromaticContact CE3-CZ 3.11Å; W170-F178 HydrophobicContact CE3-CZ 3.11Å; W170-F178 AromaticContact CZ3-CE1 3.44Å; W170-F178 HydrophobicContact CZ3-CE1 3.44Å; W170-F178 VanDerWaalsContact CZ3-CE1 3.44Å; W170-F178 HydrophobicContact CZ3-CE2 4.46Å; W170-F178 AromaticContact CZ3-CZ 3.26Å; W170-F178 HydrophobicContact CZ3-CZ 3.26Å |
| 171 | R | 66 | Low | 71 | Confident | 227 Ų | 227 | 92.1 Ų | 92.1 | 86% | 0.857 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -25.5 | 175.3 | -63.5 | 178.4 | -172.8 | -91.3 | 1.7 | 113.6 | C169 | C169-R171 HydrophobicContact CB-CB 4.48Å; C169-R171 PolarHBondContact O-N 3.16Å |
| 172 | D | 67.9 | Low | 69.4 | Low | 91 Ų | 91 | 91 Ų | 91 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -20.2 | -177.3 | -52.6 | -30.6 | 0 | 0 | 0 | 111.4 | C169 S174 | C169-D172 VanDerWaalsContact CB-OD2 3.28Å; C169-D172 WeakPolarHBondContact CB-OD2 3.47Å; C169-D172 PolarHBondContact N-OD2 3Å; C169-D172 PolarHBondContact O-N 3.18Å; D172-S174 PolarHBondContact O-N 3.02Å |
| 173 | L | 63.3 | Low | 68.1 | Low | 72 Ų | 72 | 92.3 Ų | 92.3 | 38% | 0.377 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -65.9 | 133.5 | 172.3 | -67.1 | 177.2 | 0 | 0 | 0 | 109.5 | W170 F178 | W170-L173 HydrophobicContact CD2-CD1 4.4Å; W170-L173 HydrophobicContact CE3-CD1 3.64Å; W170-L173 HydrophobicContact CZ3-CD1 4Å; L173-F178 HydrophobicContact CB-CE2 3.65Å; L173-F178 HydrophobicContact CB-CZ 4.44Å; L173-F178 HydrophobicContact CD1-CE2 3.82Å; L173-F178 HydrophobicContact CD1-CZ 3.78Å; L173-F178 HydrophobicContact CG-CE2 4.41Å |
| 174 | S | 60.3 | Low | 67.1 | Low | 45 Ų | 45 | 92.1 Ų | 92.1 | 32% | 0.315 | 47% | 0.471 | S | S | . | . | trans | -57.3 | 138.7 | -175.1 | 82.9 | 0 | 0 | 0 | 0 | 110.5 | D172 Q176 F177 | D172-S174 PolarHBondContact O-N 3.02Å; S174-Q176 PolarHBondContact O-N 2.75Å; S174-Q176 PolarHBondContact OG-OE1 3.05Å; S174-F177 PolarHBondContact O-N 3.29Å; S174-F177 WeakPolarHBondContact OG-CD2 3.41Å; S174-F177 WeakPolarHBondContact OG-CE2 3.49Å | ||
| 175 | P | 55.5 | Low | 66.2 | Low | 76 Ų | 76 | 97.5 Ų | 97.5 | 49% | 0.494 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -58.9 | -16.6 | -173.9 | 20.2 | -31 | 0 | 0 | 0 | 113.4 | F177 F178 A181 | P175-F177 PolarHBondContact O-N 3.42Å; P175-F178 CarbonylContact O-C 3.45Å; P175-F178 PolarHBondContact O-N 2.65Å; P175-F178 VanDerWaalsContact O-N 3.14Å; P175-A181 HydrophobicContact CB-CB 4.19Å |
| 176 | Q | 57.6 | Low | 65.4 | Low | 148 Ų | 148 | 98.5 Ų | 98.5 | 69% | 0.692 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -63 | -27.4 | 174.5 | -59 | 80.2 | 11.8 | 0 | 0 | 113 | S174 F178 | S174-Q176 PolarHBondContact O-N 2.75Å; S174-Q176 PolarHBondContact OG-OE1 3.05Å; Q176-F178 VanDerWaalsContact C-N 3.33Å |
| 177 | F | 55.7 | Low | 64.7 | Low | 152 Ų | 152 | 99.5 Ų | 99.5 | 67% | 0.667 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -79.9 | -13.6 | 175.8 | -67.4 | -75 | 0 | 0 | 0 | 113.4 | S174 P175 | S174-F177 PolarHBondContact O-N 3.29Å; S174-F177 WeakPolarHBondContact OG-CD2 3.41Å; S174-F177 WeakPolarHBondContact OG-CE2 3.49Å; P175-F177 PolarHBondContact O-N 3.42Å |
| 178 | F | 54.8 | Low | 64.3 | Low | 66 Ų | 66 | 103.5 Ų | 103.5 | 29% | 0.289 | 53% | 0.528 | S | S | . | . | trans | -122 | 96 | 176.4 | -57.4 | -74.3 | 0 | 0 | 0 | 110.6 | W170 L173 P175 Q176 R180 A181 | W170-F178 HydrophobicContact CD2-CZ 4.41Å; W170-F178 AromaticContact CE3-CE1 3.46Å; W170-F178 HydrophobicContact CE3-CE1 3.46Å; W170-F178 VanDerWaalsContact CE3-CE1 3.46Å; W170-F178 HydrophobicContact CE3-CE2 4.01Å; W170-F178 AromaticContact CE3-CZ 3.11Å; W170-F178 HydrophobicContact CE3-CZ 3.11Å; W170-F178 AromaticContact CZ3-CE1 3.44Å; W170-F178 HydrophobicContact CZ3-CE1 3.44Å; W170-F178 VanDerWaalsContact CZ3-CE1 3.44Å; W170-F178 HydrophobicContact CZ3-CE2 4.46Å; W170-F178 AromaticContact CZ3-CZ 3.26Å; W170-F178 HydrophobicContact CZ3-CZ 3.26Å; L173-F178 HydrophobicContact CB-CE2 3.65Å; L173-F178 HydrophobicContact CB-CZ 4.44Å; L173-F178 HydrophobicContact CD1-CE2 3.82Å; L173-F178 HydrophobicContact CD1-CZ 3.78Å; L173-F178 HydrophobicContact CG-CE2 4.41Å; P175-F178 CarbonylContact O-C 3.45Å; P175-F178 PolarHBondContact O-N 2.65Å; P175-F178 VanDerWaalsContact O-N 3.14Å; Q176-F178 VanDerWaalsContact C-N 3.33Å; F178-R180 PolarHBondContact O-N 3.37Å; F178-A181 PolarHBondContact O-N 3.28Å | ||
| 179 | P | 52.2 | Low | 64.4 | Low | 97 Ų | 97 | 105.1 Ų | 105.1 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -53.5 | -16.6 | 173.2 | -24.6 | 32.2 | 0 | 0 | 0 | 114 | A181 N183 | P179-A181 PolarHBondContact O-N 2.92Å; P179-N183 PolarHBondContact O-N 3.33Å |
| 180 | R | 53.8 | Low | 64.6 | Low | 234 Ų | 234 | 108 Ų | 108 | 88% | 0.883 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.8 | -33.9 | 175.4 | -77.8 | -174.1 | 179.6 | 154.1 | 1.4 | 113.9 | F178 | F178-R180 PolarHBondContact O-N 3.37Å |
| 181 | A | 52.7 | Low | 65.2 | Low | 66 Ų | 66 | 104.1 Ų | 104.1 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -80.6 | -33.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P175 F178 P179 N183 | P175-A181 HydrophobicContact CB-CB 4.19Å; F178-A181 PolarHBondContact O-N 3.28Å; P179-A181 PolarHBondContact O-N 2.92Å; A181-N183 PolarHBondContact O-N 3.48Å |
| 182 | A | 53.9 | Low | 66 | Low | 80 Ų | 80 | 97.1 Ų | 97.1 | 66% | 0.661 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.4 | -18.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L184 | A182-L184 VanDerWaalsContact C-N 3.27Å; A182-L184 PolarHBondContact O-N 3.21Å |
| 183 | N | 62 | Low | 66.6 | Low | 73 Ų | 73 | 100.6 Ų | 100.6 | 39% | 0.39 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 37.1 | -175.4 | -114 | -4.5 | 0 | 0 | 0 | 113.2 | P179 A181 E185 T186 T187 | P179-N183 PolarHBondContact O-N 3.33Å; A181-N183 PolarHBondContact O-N 3.48Å; N183-E185 PolarHBondContact O-N 3.17Å; N183-T186 HydrophobicContact CB-CG2 4.47Å; N183-T186 WeakPolarHBondContact CB-OG1 3.29Å; N183-T186 VanDerWaalsContact CG-CG2 3.44Å; N183-T186 WeakPolarHBondContact ND2-CG2 3.07Å; N183-T186 PolarHBondContact ND2-OG1 3.22Å; N183-T186 PolarHBondContact O-N 2.76Å; N183-T186 PolarHBondContact O-OG1 3.03Å; N183-T186 WeakPolarHBondContact OD1-CG2 3.42Å; N183-T186 PolarHBondContact OD1-OG1 3.39Å; N183-T187 WeakPolarHBondContact O-CB 3.07Å; N183-T187 WeakPolarHBondContact O-CG2 3.47Å; N183-T187 PolarHBondContact O-N 3.35Å; N183-T187 PolarHBondContact O-OG1 3.25Å |
| 184 | L | 68.7 | Low | 67.2 | Low | 116 Ų | 116 | 100.6 Ų | 100.6 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -53 | -36.2 | 168.6 | -176.6 | 62.3 | 0 | 0 | 0 | 110.6 | A182 T187 N188 | A182-L184 VanDerWaalsContact C-N 3.27Å; A182-L184 PolarHBondContact O-N 3.21Å; L184-T187 VanDerWaalsContact C-OG1 3.31Å; L184-T187 VanDerWaalsContact CA-OG1 3.22Å; L184-T187 WeakPolarHBondContact CA-OG1 3.41Å; L184-T187 PolarHBondContact O-OG1 2.88Å; L184-N188 VanDerWaalsContact O-CB 3.31Å; L184-N188 WeakPolarHBondContact O-CB 3.46Å; L184-N188 PolarHBondContact O-N 2.91Å; L184-N188 PolarHBondContact O-ND2 3.42Å; L184-N188 VanDerWaalsContact O-ND2 3.16Å |
| 185 | E | 71.6 | Confident | 67.9 | Low | 154 Ų | 154 | 103.8 Ų | 103.8 | 72% | 0.72 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.7 | -47.2 | 177.1 | -162.9 | 163.6 | -161.8 | 0 | 0 | 112.6 | N183 T187 N188 V189 | N183-E185 PolarHBondContact O-N 3.17Å; E185-T187 VanDerWaalsContact C-N 3.33Å; E185-T187 PolarHBondContact O-N 3.15Å; E185-N188 PolarHBondContact O-N 2.78Å; E185-V189 VanDerWaalsContact O-CG2 3.29Å; E185-V189 WeakPolarHBondContact O-CG2 3.49Å; E185-V189 PolarHBondContact O-N 3.44Å |
| 186 | T | 74.6 | Confident | 69 | Low | 56 Ų | 56 | 106.9 Ų | 106.9 | 34% | 0.344 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.4 | -32 | 176.4 | 65.4 | 0 | 0 | 0 | 0 | 112.6 | N183 V189 L190 | N183-T186 HydrophobicContact CB-CG2 4.47Å; N183-T186 WeakPolarHBondContact CB-OG1 3.29Å; N183-T186 VanDerWaalsContact CG-CG2 3.44Å; N183-T186 WeakPolarHBondContact ND2-CG2 3.07Å; N183-T186 PolarHBondContact ND2-OG1 3.22Å; N183-T186 PolarHBondContact O-N 2.76Å; N183-T186 PolarHBondContact O-OG1 3.03Å; N183-T186 WeakPolarHBondContact OD1-CG2 3.42Å; N183-T186 PolarHBondContact OD1-OG1 3.39Å; T186-V189 PolarHBondContact O-N 2.79Å; T186-L190 VanDerWaalsContact O-CB 3.25Å; T186-L190 WeakPolarHBondContact O-CB 3.45Å; T186-L190 WeakPolarHBondContact O-CD1 3.47Å; T186-L190 WeakPolarHBondContact O-CG 3.49Å; T186-L190 PolarHBondContact O-N 3.02Å |
| 187 | T | 73.9 | Confident | 69.5 | Low | 61 Ų | 61 | 104.6 Ų | 104.6 | 37% | 0.374 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.7 | -40.4 | 172.2 | 51.7 | 0 | 0 | 0 | 0 | 111 | N183 L184 E185 L190 M191 | N183-T187 WeakPolarHBondContact O-CB 3.07Å; N183-T187 WeakPolarHBondContact O-CG2 3.47Å; N183-T187 PolarHBondContact O-N 3.35Å; N183-T187 PolarHBondContact O-OG1 3.25Å; L184-T187 VanDerWaalsContact C-OG1 3.31Å; L184-T187 VanDerWaalsContact CA-OG1 3.22Å; L184-T187 WeakPolarHBondContact CA-OG1 3.41Å; L184-T187 PolarHBondContact O-OG1 2.88Å; E185-T187 VanDerWaalsContact C-N 3.33Å; E185-T187 PolarHBondContact O-N 3.15Å; T187-L190 PolarHBondContact O-N 3.16Å; T187-M191 WeakPolarHBondContact O-CB 3.29Å; T187-M191 WeakPolarHBondContact O-CG 3.4Å; T187-M191 PolarHBondContact O-N 2.86Å |
| 188 | N | 80.1 | Confident | 69.8 | Low | 85 Ų | 85 | 102.7 Ų | 102.7 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 171.7 | -74.7 | -26.4 | 0 | 0 | 0 | 111.8 | L184 E185 L190 M191 D192 | L184-N188 VanDerWaalsContact O-CB 3.31Å; L184-N188 WeakPolarHBondContact O-CB 3.46Å; L184-N188 PolarHBondContact O-N 2.91Å; L184-N188 PolarHBondContact O-ND2 3.42Å; L184-N188 VanDerWaalsContact O-ND2 3.16Å; E185-N188 PolarHBondContact O-N 2.78Å; N188-L190 VanDerWaalsContact C-N 3.32Å; N188-L190 PolarHBondContact O-N 3.33Å; N188-M191 PolarHBondContact O-N 2.85Å; N188-D192 WeakPolarHBondContact O-CB 3.29Å; N188-D192 PolarHBondContact O-N 3.31Å |
| 189 | V | 84.1 | Confident | 69.9 | Low | 78 Ų | 78 | 107.5 Ų | 107.5 | 47% | 0.473 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 175.1 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | E185 T186 R193 | E185-V189 VanDerWaalsContact O-CG2 3.29Å; E185-V189 WeakPolarHBondContact O-CG2 3.49Å; E185-V189 PolarHBondContact O-N 3.44Å; T186-V189 PolarHBondContact O-N 2.79Å; V189-R193 WeakPolarHBondContact O-CB 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.48Å; V189-R193 PolarHBondContact O-N 3.12Å |
| 190 | L | 80.5 | Confident | 69.9 | Low | 97 Ų | 97 | 108.6 Ų | 108.6 | 51% | 0.508 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 175.3 | -76.7 | 166.2 | 0 | 0 | 0 | 111.3 | T186 T187 N188 D192 R193 V194 | T186-L190 VanDerWaalsContact O-CB 3.25Å; T186-L190 WeakPolarHBondContact O-CB 3.45Å; T186-L190 WeakPolarHBondContact O-CD1 3.47Å; T186-L190 WeakPolarHBondContact O-CG 3.49Å; T186-L190 PolarHBondContact O-N 3.02Å; T187-L190 PolarHBondContact O-N 3.16Å; N188-L190 VanDerWaalsContact C-N 3.32Å; N188-L190 PolarHBondContact O-N 3.33Å; L190-D192 VanDerWaalsContact C-N 3.34Å; L190-R193 WeakPolarHBondContact O-CB 3.19Å; L190-R193 PolarHBondContact O-N 2.91Å; L190-V194 WeakPolarHBondContact O-CG2 3.28Å; L190-V194 PolarHBondContact O-N 3.36Å |
| 191 | M | 80.3 | Confident | 69.6 | Low | 113 Ų | 113 | 103.9 Ų | 103.9 | 56% | 0.557 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 176.2 | -72.5 | -70.2 | -93.9 | 0 | 0 | 111.3 | T187 N188 V194 K195 | T187-M191 WeakPolarHBondContact O-CB 3.29Å; T187-M191 WeakPolarHBondContact O-CG 3.4Å; T187-M191 PolarHBondContact O-N 2.86Å; N188-M191 PolarHBondContact O-N 2.85Å; M191-V194 PolarHBondContact O-N 3.43Å; M191-K195 WeakPolarHBondContact O-CB 3.13Å; M191-K195 VanDerWaalsContact O-CG 3.28Å; M191-K195 WeakPolarHBondContact O-CG 3.45Å; M191-K195 PolarHBondContact O-N 2.87Å |
| 192 | D | 82.9 | Confident | 69.2 | Low | 79 Ų | 79 | 108.1 Ų | 108.1 | 42% | 0.422 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.9 | -34.7 | 174.8 | -73.9 | -16.7 | 0 | 0 | 0 | 112 | N188 L190 K195 K196 | N188-D192 WeakPolarHBondContact O-CB 3.29Å; N188-D192 PolarHBondContact O-N 3.31Å; L190-D192 VanDerWaalsContact C-N 3.34Å; D192-K195 IonicContact OD1-NZ 2.86Å; D192-K196 WeakPolarHBondContact O-CB 3.1Å; D192-K196 VanDerWaalsContact O-CG 3.28Å; D192-K196 WeakPolarHBondContact O-CG 3.39Å; D192-K196 PolarHBondContact O-N 2.95Å |
| 193 | R | 80.6 | Confident | 68.3 | Low | 165 Ų | 165 | 108.9 Ų | 108.9 | 62% | 0.623 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.2 | -45.3 | 168.9 | -86.8 | 178.3 | 157.7 | -177.2 | -4.5 | 111.7 | V189 L190 K196 L197 | V189-R193 WeakPolarHBondContact O-CB 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.48Å; V189-R193 PolarHBondContact O-N 3.12Å; L190-R193 WeakPolarHBondContact O-CB 3.19Å; L190-R193 PolarHBondContact O-N 2.91Å; R193-K196 PolarHBondContact O-N 3.46Å; R193-L197 WeakPolarHBondContact O-CG 3.37Å; R193-L197 PolarHBondContact O-N 3.41Å |
| 194 | V | 75.1 | Confident | 67.1 | Low | 71 Ų | 71 | 114.3 Ų | 114.3 | 43% | 0.43 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.2 | -46.1 | 175.9 | 170.8 | 0 | 0 | 0 | 0 | 110.3 | L190 M191 K196 L197 E198 | L190-V194 WeakPolarHBondContact O-CG2 3.28Å; L190-V194 PolarHBondContact O-N 3.36Å; M191-V194 PolarHBondContact O-N 3.43Å; V194-K196 VanDerWaalsContact C-N 3.28Å; V194-K196 PolarHBondContact O-N 2.96Å; V194-L197 CarbonylContact O-C 3.54Å; V194-L197 PolarHBondContact O-N 2.96Å; V194-E198 HydrophobicContact CG1-CG 4.43Å; V194-E198 WeakPolarHBondContact O-CB 3.41Å; V194-E198 WeakPolarHBondContact O-CG 3.41Å; V194-E198 PolarHBondContact O-N 3.3Å |
| 195 | K | 76 | Confident | 65.3 | Low | 113 Ų | 113 | 112.8 Ų | 112.8 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.9 | -34.4 | 174.9 | -72.7 | 171.7 | -171.3 | 165.9 | 0 | 113.2 | M191 D192 K199 | M191-K195 WeakPolarHBondContact O-CB 3.13Å; M191-K195 VanDerWaalsContact O-CG 3.28Å; M191-K195 WeakPolarHBondContact O-CG 3.45Å; M191-K195 PolarHBondContact O-N 2.87Å; D192-K195 IonicContact OD1-NZ 2.86Å; K195-K199 WeakPolarHBondContact O-CG 3.3Å; K195-K199 PolarHBondContact O-N 3.23Å; K195-K199 VanDerWaalsContact O-N 3.15Å |
| 196 | K | 77.4 | Confident | 63.3 | Low | 140 Ų | 140 | 110.2 Ų | 110.2 | 61% | 0.609 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.5 | -47.1 | 174.2 | -77.3 | 175.7 | -178.2 | -177.5 | 0 | 111 | D192 R193 V194 E198 K199 D200 | D192-K196 WeakPolarHBondContact O-CB 3.1Å; D192-K196 VanDerWaalsContact O-CG 3.28Å; D192-K196 WeakPolarHBondContact O-CG 3.39Å; D192-K196 PolarHBondContact O-N 2.95Å; R193-K196 PolarHBondContact O-N 3.46Å; V194-K196 VanDerWaalsContact C-N 3.28Å; V194-K196 PolarHBondContact O-N 2.96Å; K196-E198 VanDerWaalsContact C-N 3.29Å; K196-E198 PolarHBondContact O-N 3.21Å; K196-K199 WeakPolarHBondContact O-CA 3.4Å; K196-K199 WeakPolarHBondContact O-CB 3.21Å; K196-K199 PolarHBondContact O-N 2.96Å; K196-D200 VanDerWaalsContact O-CG 3.26Å; K196-D200 PolarHBondContact O-N 3.1Å |
| 197 | L | 68.3 | Low | 61.4 | Low | 101 Ų | 101 | 113.3 Ų | 113.3 | 53% | 0.529 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.6 | -38.4 | 174.5 | -69.1 | 171.5 | 0 | 0 | 0 | 111.8 | R193 V194 K199 D200 D201 | R193-L197 WeakPolarHBondContact O-CG 3.37Å; R193-L197 PolarHBondContact O-N 3.41Å; V194-L197 CarbonylContact O-C 3.54Å; V194-L197 PolarHBondContact O-N 2.96Å; L197-K199 VanDerWaalsContact C-N 3.32Å; L197-K199 PolarHBondContact O-N 3.49Å; L197-D200 PolarHBondContact O-N 3.15Å; L197-D201 WeakPolarHBondContact O-CB 3.36Å; L197-D201 PolarHBondContact O-N 3.41Å |
| 198 | E | 62.1 | Low | 59.2 | Low | 111 Ų | 111 | 117.8 Ų | 117.8 | 52% | 0.519 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.8 | -40.7 | 172.4 | -77.4 | 179.1 | 163.2 | 0 | 0 | 111.5 | V194 K196 F202 | V194-E198 HydrophobicContact CG1-CG 4.43Å; V194-E198 WeakPolarHBondContact O-CB 3.41Å; V194-E198 WeakPolarHBondContact O-CG 3.41Å; V194-E198 PolarHBondContact O-N 3.3Å; K196-E198 VanDerWaalsContact C-N 3.29Å; K196-E198 PolarHBondContact O-N 3.21Å; E198-F202 WeakPolarHBondContact O-CB 3.3Å; E198-F202 WeakPolarHBondContact O-CD2 3.49Å; E198-F202 PolarHBondContact O-N 3.34Å |
| 199 | K | 58 | Low | 57 | Low | 168 Ų | 168 | 118.3 Ų | 118.3 | 73% | 0.73 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.4 | -35.3 | 175.4 | -76.1 | -177.9 | 178.3 | -176.4 | 0 | 112.9 | K195 K196 L197 | K195-K199 WeakPolarHBondContact O-CG 3.3Å; K195-K199 PolarHBondContact O-N 3.23Å; K195-K199 VanDerWaalsContact O-N 3.15Å; K196-K199 WeakPolarHBondContact O-CA 3.4Å; K196-K199 WeakPolarHBondContact O-CB 3.21Å; K196-K199 PolarHBondContact O-N 2.96Å; L197-K199 VanDerWaalsContact C-N 3.32Å; L197-K199 PolarHBondContact O-N 3.49Å |
| 200 | D | 52.1 | Low | 54.2 | Low | 119 Ų | 119 | 123 Ų | 123 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -80.9 | -38.7 | -175.7 | -65.1 | -19.8 | 0 | 0 | 0 | 111.9 | K196 L197 | K196-D200 VanDerWaalsContact O-CG 3.26Å; K196-D200 PolarHBondContact O-N 3.1Å; L197-D200 PolarHBondContact O-N 3.15Å |
| 201 | D | 47.3 | Very low | 51.9 | Low | 136 Ų | 136 | 122.1 Ų | 122.1 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -82.9 | -24 | 176.5 | -77.6 | -24.9 | 0 | 0 | 0 | 113 | L197 | L197-D201 WeakPolarHBondContact O-CB 3.36Å; L197-D201 PolarHBondContact O-N 3.41Å |
| 202 | F | 44.8 | Very low | 49.7 | Very low | 154 Ų | 154 | 120.9 Ų | 120.9 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 35.7 | 173.1 | -73.3 | -97.9 | 0 | 0 | 0 | 113.8 | E198 Y204 | E198-F202 WeakPolarHBondContact O-CB 3.3Å; E198-F202 WeakPolarHBondContact O-CD2 3.49Å; E198-F202 PolarHBondContact O-N 3.34Å; F202-Y204 PolarHBondContact O-N 3.07Å |
| 203 | S | 33.1 | Very low | 47.3 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 68% | 0.678 | 67% | 0.671 | S | S | * | * | trans | -66.1 | 64.7 | 151 | 171.8 | 0 | 0 | 0 | 0 | 109.6 | S205 | S203-S205 PolarHBondContact O-N 3.43Š| ||
| 204 | Y | 37.2 | Very low | 45.1 | Very low | 187 Ų | 187 | 122.3 Ų | 122.3 | 73% | 0.733 | 67% | 0.673 | S | S | * | * | trans | -67.1 | 97 | 155.8 | -153.6 | -96.9 | 0 | 0 | 0 | 104.4 | F202 S206 I207 | F202-Y204 PolarHBondContact O-N 3.07Å; Y204-S206 PolarHBondContact O-N 3.23Å; Y204-I207 HydrophobicContact CE1-CD1 4.48Å | ||
| 205 | S | 30.9 | Very low | 43.1 | Very low | 83 Ų | 83 | 128.5 Ų | 128.5 | 58% | 0.58 | 69% | 0.694 | S | S | * | * | trans | -44 | 121.3 | 164.1 | 47.7 | 0 | 0 | 0 | 0 | 106.5 | S203 I207 | S203-S205 PolarHBondContact O-N 3.43Å; S205-I207 PolarHBondContact O-N 2.95Å | ||
| 206 | S | 29.8 | Very low | 40.8 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | trans | -50.2 | 90 | 171.3 | 47.4 | 0 | 0 | 0 | 0 | 108.6 | Y204 Q208 | Y204-S206 PolarHBondContact O-N 3.23Å; S206-Q208 PolarHBondContact O-N 2.93Å | ||
| 207 | I | 34.4 | Very low | 38.8 | Very low | 122 Ų | 122 | 138.7 Ų | 138.7 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | trans | -71.2 | 94.4 | 161.1 | -62.2 | 176.7 | 0 | 0 | 0 | 103 | Y204 S205 A209 | Y204-I207 HydrophobicContact CE1-CD1 4.48Å; S205-I207 PolarHBondContact O-N 2.95Å; I207-A209 VanDerWaalsContact C-N 3.3Å; I207-A209 PolarHBondContact O-N 2.91Å | ||
| 208 | Q | 27.5 | Very low | 37.2 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | trans | -50.7 | 101.4 | 165.6 | -67 | 176.5 | -0.9 | 0 | 0 | 106.6 | S206 E210 | S206-Q208 PolarHBondContact O-N 2.93Å; Q208-E210 PolarHBondContact O-N 3.26Å | ||
| 209 | A | 34.5 | Very low | 36.2 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 79% | 0.793 | 75% | 0.746 | S | S | * | * | trans | -75 | 68.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | I207 G211 | I207-A209 VanDerWaalsContact C-N 3.3Å; I207-A209 PolarHBondContact O-N 2.91Å; A209-G211 PolarHBondContact O-N 3.49Å | ||
| 210 | E | 26.4 | Very low | 35.4 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -72.8 | 117.9 | 160.8 | -77.1 | -161.3 | 150.6 | 0 | 0 | 108.1 | Q208 | Q208-E210 PolarHBondContact O-N 3.26Š| ||
| 211 | G | 32.1 | Very low | 35.3 | Very low | 80 Ų | 80 | 133.8 Ų | 133.8 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | trans | 87.9 | 60.1 | 163 | 0 | 0 | 0 | 0 | 0 | 116.3 | A209 | A209-G211 PolarHBondContact O-N 3.49Š| ||
| 212 | A | 34.2 | Very low | 35.1 | Very low | 87 Ų | 87 | 133.6 Ų | 133.6 | 72% | 0.719 | 70% | 0.699 | S | S | * | * | trans | -130.9 | 67.8 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | E214 | A212-E214 PolarHBondContact O-N 3.23Š| ||
| 213 | S | 31.8 | Very low | 35.1 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 92% | 0.923 | 69% | 0.691 | S | S | * | * | trans | -72.3 | 66.2 | 156.9 | -77.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 214 | E | 34.6 | Very low | 35.8 | Very low | 141 Ų | 141 | 128.7 Ų | 128.7 | 66% | 0.659 | 67% | 0.672 | S | S | * | * | trans | -122.1 | 117.9 | 167.3 | -77.8 | -172.2 | 163.2 | 0 | 0 | 109 | A212 R216 | A212-E214 PolarHBondContact O-N 3.23Å; E214-R216 PolarHBondContact O-N 3.38Å | ||
| 215 | K | 31.7 | Very low | 36.2 | Very low | 201 Ų | 201 | 122.2 Ų | 122.2 | 87% | 0.874 | 65% | 0.649 | S | S | * | * | trans | -24.7 | 105.8 | 179 | -67.2 | 171.7 | -179.8 | 174.2 | 0 | 111.3 | R217 | K215-R217 VanDerWaalsContact C-N 3.25Å; K215-R217 PolarHBondContact O-N 3.23Å | ||
| 216 | R | 29.3 | Very low | 37 | Very low | 244 Ų | 244 | 119.8 Ų | 119.8 | 92% | 0.921 | 63% | 0.63 | S | S | * | * | trans | -46.1 | 88.1 | 169.8 | -153 | 177.8 | -163 | 170.8 | 4.4 | 108.6 | E214 K218 | E214-R216 PolarHBondContact O-N 3.38Å; R216-K218 PolarHBondContact O-N 3.21Å | ||
| 217 | R | 33.8 | Very low | 37.5 | Very low | 224 Ų | 224 | 119.3 Ų | 119.3 | 85% | 0.845 | 62% | 0.623 | S | S | * | * | trans | -67.5 | 103.7 | 175 | -75.7 | -175.1 | 178.1 | 160 | 0.6 | 104.7 | K215 L219 | K215-R217 VanDerWaalsContact C-N 3.25Å; K215-R217 PolarHBondContact O-N 3.23Å; R217-L219 VanDerWaalsContact C-N 3.29Å; R217-L219 PolarHBondContact O-N 3.22Å | ||
| 218 | K | 34.7 | Very low | 37.5 | Very low | 180 Ų | 180 | 119.7 Ų | 119.7 | 78% | 0.783 | 63% | 0.626 | S | S | * | * | trans | -58.2 | 97.9 | 173.1 | -66.2 | 175.7 | -177.6 | 172.7 | 0 | 106.2 | R216 S220 | R216-K218 PolarHBondContact O-N 3.21Å; K218-S220 VanDerWaalsContact C-N 3.35Å; K218-S220 PolarHBondContact O-N 3.19Å | ||
| 219 | L | 41.3 | Very low | 38 | Very low | 134 Ų | 134 | 119.9 Ų | 119.9 | 70% | 0.702 | 63% | 0.632 | S | S | * | * | trans | -65.1 | 100.5 | 174.7 | -64.4 | 174.6 | 0 | 0 | 0 | 106.1 | R217 L221 | R217-L219 VanDerWaalsContact C-N 3.29Å; R217-L219 PolarHBondContact O-N 3.22Å; L219-L221 PolarHBondContact O-N 2.83Å | ||
| 220 | S | 42.3 | Very low | 38.2 | Very low | 53 Ų | 53 | 125.8 Ų | 125.8 | 37% | 0.371 | 63% | 0.634 | S | S | . | * | trans | -61.2 | 132.6 | 168.3 | -175.2 | 0 | 0 | 0 | 0 | 106.9 | K218 K222 N223 | K218-S220 VanDerWaalsContact C-N 3.35Å; K218-S220 PolarHBondContact O-N 3.19Å; S220-K222 PolarHBondContact O-N 2.92Å; S220-K222 WeakPolarHBondContact OG-CG 3.32Å; S220-N223 PolarHBondContact O-N 3.23Å | ||
| 221 | L | 48.7 | Very low | 38.9 | Very low | 29 Ų | 29 | 120.4 Ų | 120.4 | 15% | 0.152 | 61% | 0.61 | C | S | . | * | G | 310 helix | trans | -49 | -23.3 | 174.3 | -76 | 177.1 | 0 | 0 | 0 | 112.7 | L219 N223 L224 D336 N340 V342 | L219-L221 PolarHBondContact O-N 2.83Å; L221-N223 PolarHBondContact O-N 3.03Å; L221-N223 VanDerWaalsContact O-N 3.13Å; L221-L224 HydrophobicContact CD2-CD1 4.01Å; L221-L224 PolarHBondContact O-N 3.23Å; L221-D336 HydrophobicContact CD1-CB 3.41Å; L221-D336 VanDerWaalsContact CD1-CB 3.41Å; L221-D336 HydrophobicContact CG-CB 4.24Å; L221-N340 HydrophobicContact CD1-CB 3.88Å; L221-V342 HydrophobicContact CD1-CG2 4.3Å; L221-V342 HydrophobicContact CD2-CG2 3.86Å |
| 222 | K | 43.1 | Very low | 39.3 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 57% | 0.57 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -53.7 | -26 | 173 | -63.4 | -176.2 | 178.1 | -169.4 | 0 | 114.1 | S220 N235 | S220-K222 PolarHBondContact O-N 2.92Å; S220-K222 WeakPolarHBondContact OG-CG 3.32Å; K222-N235 PolarHBondContact NZ-OD1 2.94Å |
| 223 | N | 46.5 | Very low | 39.5 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 52% | 0.524 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -87.2 | -4.6 | -179.2 | -63.1 | -3.4 | 0 | 0 | 0 | 113.3 | S220 L221 | S220-N223 PolarHBondContact O-N 3.23Å; L221-N223 PolarHBondContact O-N 3.03Å; L221-N223 VanDerWaalsContact O-N 3.13Å |
| 224 | L | 47.8 | Very low | 40 | Very low | 51 Ų | 51 | 126.1 Ų | 126.1 | 27% | 0.267 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -100.7 | -4.3 | -178.2 | -63.3 | 179.1 | 0 | 0 | 0 | 113.4 | L221 I259 V261 | L221-L224 HydrophobicContact CD2-CD1 4.01Å; L221-L224 PolarHBondContact O-N 3.23Å; L224-I259 HydrophobicContact CD2-CB 4.24Å; L224-I259 HydrophobicContact CD2-CD1 3.75Å; L224-I259 HydrophobicContact CD2-CG1 3.94Å; L224-V261 HydrophobicContact CB-CG2 4.42Å; L224-V261 WeakPolarHBondContact O-CG2 3.38Å |
| 225 | L | 44.2 | Very low | 40.4 | Very low | 50 Ų | 50 | 126 Ų | 126 | 26% | 0.262 | 60% | 0.598 | S | S | . | * | trans | -102.3 | 105.9 | -167.1 | -63.9 | 174.7 | 0 | 0 | 0 | 112.5 | T227 Y240 Q258 V261 | L225-T227 PolarHBondContact O-N 3.39Å; L225-Y240 HydrophobicContact CD1-CE1 4.31Å; L225-Y240 HydrophobicContact CD2-CD1 3.79Å; L225-Y240 HydrophobicContact CD2-CE1 4.01Å; L225-Y240 HydrophobicContact CD2-CG 4.46Å; L225-Q258 VanDerWaalsContact N-OE1 3.14Å; L225-Q258 PolarHBondContact O-OE1 3.21Å; L225-V261 HydrophobicContact CD2-CB 3.83Å; L225-V261 HydrophobicContact CD2-CG1 3.41Å; L225-V261 VanDerWaalsContact CD2-CG1 3.41Å; L225-V261 HydrophobicContact CD2-CG2 4.4Å | ||
| 226 | L | 49.2 | Very low | 41.6 | Very low | 32 Ų | 32 | 123.3 Ų | 123.3 | 17% | 0.168 | 59% | 0.586 | C | S | . | * | trans | -47.3 | 128.1 | 166.2 | -85.1 | 175.3 | 0 | 0 | 0 | 111.9 | D228 T254 P260 | L226-D228 PolarHBondContact O-N 3.28Å; L226-T254 HydrophobicContact CD1-CG2 3.74Å; L226-T254 HydrophobicContact CD2-CG2 3.57Å; L226-T254 HydrophobicContact CG-CG2 3.86Å; L226-P260 HydrophobicContact CD1-CB 4.15Å | ||
| 227 | T | 38.7 | Very low | 43.5 | Very low | 91 Ų | 91 | 113.2 Ų | 113.2 | 56% | 0.558 | 55% | 0.553 | S | S | * | * | trans | -89.1 | 81.2 | 174.8 | 1.9 | 0 | 0 | 0 | 0 | 110.3 | L225 E256 | L225-T227 PolarHBondContact O-N 3.39Å; T227-E256 PolarHBondContact OG1-OE2 3.05Å | ||
| 228 | D | 35.6 | Very low | 45.7 | Very low | 130 Ų | 130 | 102.6 Ų | 102.6 | 70% | 0.695 | 51% | 0.513 | S | S | * | . | trans | -92.5 | 144.1 | 148.5 | -153.8 | -16.2 | 0 | 0 | 0 | 107.9 | L226 R230 L231 | L226-D228 PolarHBondContact O-N 3.28Å; D228-R230 PolarHBondContact O-N 3.22Å; D228-L231 PolarHBondContact O-N 3.37Å | ||
| 229 | N | 36.7 | Very low | 48.2 | Very low | 158 Ų | 158 | 94.2 Ų | 94.2 | 85% | 0.845 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 33.9 | -164.1 | -81.4 | -34.1 | 0 | 0 | 0 | 115.5 | ||
| 230 | R | 39.4 | Very low | 50.3 | Low | 221 Ų | 221 | 89.2 Ų | 89.2 | 83% | 0.834 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.7 | 5.9 | 172 | -60 | -168.8 | -174.1 | -139.3 | 2.7 | 114 | D228 | D228-R230 PolarHBondContact O-N 3.22Š|
| 231 | L | 41.4 | Very low | 52.6 | Low | 61 Ų | 61 | 86.7 Ų | 86.7 | 32% | 0.319 | 43% | 0.431 | S | S | . | . | trans | -103 | 113.5 | 174.6 | -76.4 | 162.6 | 0 | 0 | 0 | 112.2 | D228 K233 L263 | D228-L231 PolarHBondContact O-N 3.37Å; L231-K233 PolarHBondContact O-N 3.05Å; L231-L263 HydrophobicContact CD2-CB 3.68Å; L231-L263 HydrophobicContact CD2-CD2 3.72Å; L231-L263 HydrophobicContact CD2-CG 4.25Å | ||
| 232 | H | 40.2 | Very low | 54.4 | Low | 159 Ų | 159 | 85.5 Ų | 85.5 | 74% | 0.736 | 43% | 0.426 | S | S | * | . | trans | -62.8 | 128.7 | -180 | -62.7 | 51.9 | 0 | 0 | 0 | 108.8 | G234 | H232-G234 PolarHBondContact O-N 3.42Š| ||
| 233 | K | 38.7 | Very low | 56.5 | Low | 219 Ų | 219 | 79.3 Ų | 79.3 | 95% | 0.952 | 40% | 0.398 | S | S | * | . | trans | -62.6 | 19.4 | 170.4 | -74.4 | -179.8 | 173.9 | 176 | 0 | 114.3 | L231 | L231-K233 PolarHBondContact O-N 3.05Š| ||
| 234 | G | 43 | Very low | 58.3 | Low | 42 Ų | 42 | 75.9 Ų | 75.9 | 43% | 0.433 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -93.5 | 138.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | H232 K236 | H232-G234 PolarHBondContact O-N 3.42Å; G234-K236 PolarHBondContact O-N 3.29Å |
| 235 | N | 43 | Very low | 60 | Low | 138 Ų | 138 | 73.9 Ų | 73.9 | 74% | 0.738 | 37% | 0.371 | S | S | * | . | trans | -65.8 | 43.2 | 173.9 | -58.6 | -46.3 | 0 | 0 | 0 | 113.4 | K222 | K222-N235 PolarHBondContact NZ-OD1 2.94Š| ||
| 236 | K | 55.6 | Low | 61.7 | Low | 145 Ų | 145 | 75.5 Ų | 75.5 | 63% | 0.63 | 37% | 0.374 | S | S | * | . | trans | -86.4 | 131.7 | -178.1 | -67.4 | -172.1 | 177.4 | -176.3 | 0 | 109.8 | G234 G238 N340 | G234-K236 PolarHBondContact O-N 3.29Å; K236-G238 PolarHBondContact O-N 2.97Å; K236-N340 PolarHBondContact O-OD1 2.85Å | ||
| 237 | S | 70.3 | Confident | 63.2 | Low | 32 Ų | 32 | 80.3 Ų | 80.3 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | trans | -52.1 | 132.6 | 169.3 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | N340 | S237-N340 WeakPolarHBondContact CA-OD1 3.2Š| ||
| 238 | G | 79.5 | Confident | 65 | Low | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | trans | -158.8 | 165.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K236 Y240 D265 N340 A341 | K236-G238 PolarHBondContact O-N 2.97Å; G238-Y240 WeakPolarHBondContact O-CE2 3.31Å; G238-D265 WeakPolarHBondContact CA-O 3.33Å; G238-N340 PolarHBondContact N-OD1 3.22Å; G238-N340 WeakPolarHBondContact O-CA 3.4Å; G238-A341 PolarHBondContact O-N 2.79Å | ||
| 239 | L | 85.9 | Confident | 67.1 | Low | 3 Ų | 3 | 79.6 Ų | 79.6 | 2% | 0.016 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.1 | 175.7 | -175 | 73.5 | 0 | 0 | 0 | 110.7 | I264 D265 I272 Y306 A341 F343 | L239-I264 HydrophobicContact CD2-CD1 4.05Å; L239-I264 HydrophobicContact CG-CD1 3.96Å; L239-I264 WeakPolarHBondContact O-CB 3.26Å; L239-I264 PolarHBondContact O-N 2.91Å; L239-D265 PolarHBondContact N-O 3.49Å; L239-D265 PolarHBondContact O-N 3.46Å; L239-I272 HydrophobicContact CD1-CG1 4.44Å; L239-Y306 HydrophobicContact CD2-CE2 3.43Å; L239-Y306 VanDerWaalsContact CD2-CE2 3.43Å; L239-Y306 VanDerWaalsContact CD2-CZ 3.46Å; L239-Y306 WeakPolarHBondContact CD2-OH 3.46Å; L239-A341 WeakPolarHBondContact CA-O 3.47Å; L239-A341 HydrophobicContact CD1-CB 3.33Å; L239-A341 WeakPolarHBondContact CD1-O 3.38Å; L239-F343 HydrophobicContact CD1-CD1 4.03Å; L239-F343 HydrophobicContact CD1-CE1 3.65Å; L239-F343 HydrophobicContact CD1-CZ 3.93Å; L239-F343 HydrophobicContact CD2-CE1 4.5Å; L239-F343 HydrophobicContact CD2-CE2 4.11Å; L239-F343 HydrophobicContact CD2-CZ 3.96Å |
| 240 | Y | 86.6 | Confident | 68.9 | Low | 29 Ų | 29 | 76.9 Ų | 76.9 | 11% | 0.114 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 155 | -171.9 | -55.5 | -93.9 | 0 | 0 | 0 | 111 | L225 G238 V261 V262 L263 N340 A341 V342 F343 | L225-Y240 HydrophobicContact CD1-CE1 4.31Å; L225-Y240 HydrophobicContact CD2-CD1 3.79Å; L225-Y240 HydrophobicContact CD2-CE1 4.01Å; L225-Y240 HydrophobicContact CD2-CG 4.46Å; G238-Y240 WeakPolarHBondContact O-CE2 3.31Å; Y240-V261 HydrophobicContact CD1-CG1 4.16Å; Y240-V261 HydrophobicContact CG-CG1 4.36Å; Y240-V262 CarbonylContact C-O 3.58Å; Y240-V262 WeakPolarHBondContact CA-O 3.26Å; Y240-L263 HydrophobicContact CD1-CB 4.19Å; Y240-L263 HydrophobicContact CD1-CD1 3.87Å; Y240-L263 HydrophobicContact CE1-CB 4.22Å; Y240-L263 HydrophobicContact CE1-CD1 3.48Å; Y240-L263 VanDerWaalsContact CE1-CD1 3.48Å; Y240-L263 HydrophobicContact CE1-CG 4.45Å; Y240-L263 HydrophobicContact CE2-CD1 4.47Å; Y240-N340 HydrophobicContact CE2-CB 4.38Å; Y240-A341 WeakPolarHBondContact CD2-O 3.2Å; Y240-A341 PolarHBondContact N-O 2.88Å; Y240-V342 HydrophobicContact CD2-CG2 4.49Å; Y240-V342 CarbonylContact O-C 3.54Å; Y240-V342 WeakPolarHBondContact O-CA 3.21Å; Y240-F343 PolarHBondContact O-N 2.93Å |
| 241 | L | 90.3 | Very high | 70.8 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.7 | 171.1 | -179.6 | 64.7 | 0 | 0 | 0 | 109.1 | V261 V262 I264 F279 A313 M314 L317 F343 | L241-V261 CarbonylContact O-C 3.53Å; L241-V261 VanDerWaalsContact O-CA 3.26Å; L241-V261 WeakPolarHBondContact O-CA 3.06Å; L241-V261 WeakPolarHBondContact O-CG1 3.37Å; L241-V262 PolarHBondContact N-O 3.02Å; L241-V262 PolarHBondContact O-N 2.97Å; L241-I264 HydrophobicContact CB-CD1 3.9Å; L241-I264 HydrophobicContact CB-CG1 4.11Å; L241-F279 HydrophobicContact CD1-CD2 4.21Å; L241-F279 HydrophobicContact CD1-CE2 3.45Å; L241-F279 VanDerWaalsContact CD1-CE2 3.45Å; L241-F279 HydrophobicContact CD1-CZ 3.85Å; L241-A313 HydrophobicContact CD2-CB 4.2Å; L241-M314 HydrophobicContact CD2-CB 4.24Å; L241-M314 HydrophobicContact CD2-CG 3.46Å; L241-M314 VanDerWaalsContact CD2-CG 3.46Å; L241-L317 HydrophobicContact CB-CD1 4.28Å; L241-L317 HydrophobicContact CD2-CD1 3.58Å; L241-L317 HydrophobicContact CG-CD1 3.53Å; L241-F343 CarbonylContact C-O 3.48Å; L241-F343 WeakPolarHBondContact CA-O 3.44Å; L241-F343 HydrophobicContact CD1-CB 3.81Å |
| 242 | A | 87.3 | Confident | 72.5 | Confident | 5 Ų | 5 | 68.5 Ų | 68.5 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | I259 P260 V261 V342 F343 V344 T345 | A242-I259 HydrophobicContact CB-CG2 4.38Å; A242-P260 VanDerWaalsContact CA-O 3.32Å; A242-P260 WeakPolarHBondContact CA-O 3.27Å; A242-V261 HydrophobicContact CB-CG2 3.7Å; A242-V342 HydrophobicContact CB-CG1 3.76Å; A242-F343 PolarHBondContact N-O 3.28Å; A242-V344 HydrophobicContact CB-CG2 4.28Å; A242-V344 CarbonylContact O-C 3.5Å; A242-V344 WeakPolarHBondContact O-CA 3.31Å; A242-T345 PolarHBondContact O-N 3.15Å |
| 243 | A | 85.9 | Confident | 74 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 116.7 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | I259 P260 L317 L321 T345 | A243-I259 WeakPolarHBondContact O-CG2 3.46Å; A243-P260 PolarHBondContact N-O 3.44Å; A243-P260 WeakPolarHBondContact O-CD 3.46Å; A243-L317 HydrophobicContact CB-CD1 4.01Å; A243-L317 HydrophobicContact CB-CD2 4.35Å; A243-L321 HydrophobicContact CB-CD1 3.64Å; A243-T345 WeakPolarHBondContact CA-OG1 3.08Å |
| 244 | V | 85.6 | Confident | 75.6 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 16% | 0.158 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 112 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | V251 I259 V344 T345 V346 K347 | V244-V251 HydrophobicContact CG1-CG1 3.88Å; V244-I259 HydrophobicContact CG2-CD1 4.17Å; V244-I259 HydrophobicContact CG2-CG2 4.03Å; V244-V344 HydrophobicContact CG2-CG1 3.71Å; V244-T345 WeakPolarHBondContact CB-O 3.43Å; V244-T345 PolarHBondContact N-O 3.07Å; V244-V346 HydrophobicContact CB-CG2 4.36Å; V244-V346 CarbonylContact O-C 3.56Å; V244-V346 VanDerWaalsContact O-CA 3.26Å; V244-V346 WeakPolarHBondContact O-CA 3.41Å; V244-K347 PolarHBondContact O-N 3.37Å |
| 245 | M | 82.6 | Confident | 76.5 | Confident | 10 Ų | 10 | 56.6 Ų | 56.6 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 136.3 | 176.2 | -51.8 | -63.3 | -70.3 | 0 | 0 | 108.6 | L252 L321 K347 V349 | M245-L252 HydrophobicContact CB-CB 4.17Å; M245-L252 HydrophobicContact CB-CD1 3.97Å; M245-L252 HydrophobicContact CB-CG 4.38Å; M245-L252 WeakPolarHBondContact O-CB 3.46Å; M245-L252 PolarHBondContact O-N 3.35Å; M245-L321 HydrophobicContact CG-CD1 4.34Å; M245-L321 HydrophobicContact CG-CD2 4.34Å; M245-L321 HydrophobicContact SD-CD1 4.22Å; M245-K347 WeakPolarHBondContact CA-O 2.99Å; M245-K347 HydrophobicContact CE-CB 3.78Å; M245-K347 HydrophobicContact CE-CD 3.68Å; M245-K347 HydrophobicContact CE-CG 3.78Å; M245-K347 HydrophobicContact SD-CB 3.69Å; M245-K347 HydrophobicContact SD-CD 4.43Å; M245-K347 HydrophobicContact SD-CG 4.36Å; M245-V349 HydrophobicContact CB-CG2 3.99Å; M245-V349 HydrophobicContact CE-CG2 3.62Å |
| 246 | Y | 81.2 | Confident | 77.6 | Confident | 84 Ų | 84 | 53.4 Ų | 53.4 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 155.1 | 176.4 | 77.6 | -84.7 | 0 | 0 | 0 | 111.8 | G248 K250 V346 K347 N348 V349 | Y246-G248 WeakPolarHBondContact CD2-O 3.31Å; Y246-K250 CarbonylContact C-O 3.49Å; Y246-K250 WeakPolarHBondContact CA-O 3.45Å; Y246-K250 WeakPolarHBondContact CB-O 3.15Å; Y246-V346 HydrophobicContact CD1-CG1 3.84Å; Y246-V346 HydrophobicContact CE1-CG1 3.83Å; Y246-K347 VanDerWaalsContact CD1-O 3.25Å; Y246-K347 WeakPolarHBondContact CD1-O 3.12Å; Y246-K347 PolarHBondContact N-O 3.37Å; Y246-N348 HydrophobicContact CE1-CB 3.83Å; Y246-N348 HydrophobicContact CE2-CB 3.97Å; Y246-N348 WeakPolarHBondContact O-CA 3.38Å; Y246-N348 PolarHBondContact O-OD1 2.97Å; Y246-V349 PolarHBondContact O-N 3.34Å |
| 247 | R | 79.8 | Confident | 78.2 | Confident | 132 Ų | 132 | 50.7 Ų | 50.7 | 50% | 0.498 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 117.3 | 177.9 | 177.4 | 170.8 | -176.7 | 178.2 | 0.5 | 109 | N249 K250 E350 | R247-N249 PolarHBondContact O-N 3.02Å; R247-N249 VanDerWaalsContact O-N 3.15Å; R247-K250 PolarHBondContact N-O 2.84Å; R247-K250 PolarHBondContact O-N 2.94Å; R247-E350 HydrophobicContact CG-CG 3.68Å; R247-E350 VanDerWaalsContact CG-OE1 3.22Å; R247-E350 WeakPolarHBondContact CG-OE1 3.17Å; R247-E350 IonicContact NE-OE1 3.58Å |
| 248 | G | 76.6 | Confident | 78.1 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 32% | 0.32 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | -118.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y246 E350 | Y246-G248 WeakPolarHBondContact CD2-O 3.31Å; G248-E350 PolarHBondContact N-OE1 2.87Å |
| 249 | N | 78.6 | Confident | 78 | Confident | 175 Ų | 175 | 52 Ų | 52 | 94% | 0.936 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | 18.3 | 178.7 | -63.2 | -16.4 | 0 | 0 | 0 | 113.6 | R247 | R247-N249 PolarHBondContact O-N 3.02Å; R247-N249 VanDerWaalsContact O-N 3.15Å |
| 250 | K | 76.1 | Confident | 77.8 | Confident | 102 Ų | 102 | 51.9 Ų | 51.9 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.6 | -174.5 | -59.9 | -176.6 | -179.8 | -176 | 0 | 110.9 | Y246 R247 V377 V379 | Y246-K250 CarbonylContact C-O 3.49Å; Y246-K250 WeakPolarHBondContact CA-O 3.45Å; Y246-K250 WeakPolarHBondContact CB-O 3.15Å; R247-K250 PolarHBondContact N-O 2.84Å; R247-K250 PolarHBondContact O-N 2.94Å; K250-V377 HydrophobicContact CD-CG1 3.63Å; K250-V379 HydrophobicContact CD-CG2 4.07Å; K250-V379 VanDerWaalsContact CE-CG2 3.46Å |
| 251 | V | 78.9 | Confident | 77.5 | Confident | 68 Ų | 68 | 51 Ų | 51 | 41% | 0.412 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 136.3 | 169.2 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | V244 H253 | V244-V251 HydrophobicContact CG1-CG1 3.88Å; V251-H253 WeakPolarHBondContact CG1-NE2 3.2Å; V251-H253 PolarHBondContact O-CD2 3.15Å |
| 252 | L | 77 | Confident | 77.3 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 20% | 0.199 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.1 | 177.6 | -53.1 | 179.6 | 0 | 0 | 0 | 108.8 | M245 V349 F375 | M245-L252 HydrophobicContact CB-CB 4.17Å; M245-L252 HydrophobicContact CB-CD1 3.97Å; M245-L252 HydrophobicContact CB-CG 4.38Å; M245-L252 WeakPolarHBondContact O-CB 3.46Å; M245-L252 PolarHBondContact O-N 3.35Å; L252-V349 HydrophobicContact CD1-CG2 3.8Å; L252-F375 HydrophobicContact CB-CD1 3.92Å; L252-F375 HydrophobicContact CB-CE1 4.33Å |
| 253 | H | 71.8 | Confident | 77.2 | Confident | 57 Ų | 57 | 54.6 Ų | 54.6 | 26% | 0.264 | 27% | 0.272 | S | S | . | . | trans | -124.3 | 150.2 | 179.4 | -62 | -84.1 | 0 | 0 | 0 | 110.5 | V251 Q258 F375 | V251-H253 WeakPolarHBondContact CG1-NE2 3.2Å; V251-H253 PolarHBondContact O-CD2 3.15Å; H253-Q258 CarbonylContact C-O 3.54Å; H253-Q258 WeakPolarHBondContact CA-O 3.16Å; H253-F375 WeakPolarHBondContact O-CA 3.24Å; H253-F375 WeakPolarHBondContact O-CB 3.09Å; H253-F375 WeakPolarHBondContact O-CD1 3.27Å; H253-F375 VanDerWaalsContact O-CG 3.27Å; H253-F375 WeakPolarHBondContact O-CG 3.49Å | ||
| 254 | T | 71.5 | Confident | 77.3 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | trans | -57.1 | 169.5 | 176.4 | 66 | 0 | 0 | 0 | 0 | 110.9 | L226 E256 D257 Q258 P260 | L226-T254 HydrophobicContact CD1-CG2 3.74Å; L226-T254 HydrophobicContact CD2-CG2 3.57Å; L226-T254 HydrophobicContact CG-CG2 3.86Å; T254-E256 PolarHBondContact O-N 3.04Å; T254-D257 WeakPolarHBondContact O-CA 3.38Å; T254-D257 PolarHBondContact O-N 3.36Å; T254-Q258 WeakPolarHBondContact CG2-O 3.37Å; T254-Q258 PolarHBondContact N-O 2.89Å; T254-Q258 PolarHBondContact OG1-N 3.22Å; T254-Q258 PolarHBondContact OG1-O 3.18Å; T254-P260 HydrophobicContact CG2-CG 3.87Å | ||
| 255 | F | 61.6 | Low | 77.2 | Confident | 107 Ų | 107 | 54.8 Ų | 54.8 | 47% | 0.469 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -14.3 | 176.8 | 70.5 | -83.5 | 0 | 0 | 0 | 114.2 | D257 V373 G374 | F255-D257 VanDerWaalsContact C-N 3.31Å; F255-V373 HydrophobicContact CD1-CB 4.1Å; F255-V373 HydrophobicContact CD1-CG1 3.56Å; F255-V373 HydrophobicContact CD1-CG2 4.31Å; F255-V373 HydrophobicContact CE1-CG1 4.09Å; F255-V373 HydrophobicContact CE1-CG2 4.31Å; F255-G374 WeakPolarHBondContact CA-O 3.36Å; F255-G374 WeakPolarHBondContact CB-O 3.42Å |
| 256 | E | 67.6 | Low | 76.8 | Confident | 71 Ų | 71 | 58 Ų | 58 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 11.4 | 174.5 | -55.5 | -172 | 158.7 | 0 | 0 | 112.3 | T227 T254 Q258 | T227-E256 PolarHBondContact OG1-OE2 3.05Å; T254-E256 PolarHBondContact O-N 3.04Å; E256-Q258 VanDerWaalsContact C-N 3.28Å; E256-Q258 HydrophobicContact CB-CG 4.18Å; E256-Q258 WeakPolarHBondContact O-CG 3.35Å; E256-Q258 PolarHBondContact O-N 2.94Å |
| 257 | D | 67.6 | Low | 76.2 | Confident | 88 Ų | 88 | 57.2 Ų | 57.2 | 47% | 0.471 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 57.7 | 36.1 | -173.4 | -60.1 | -39.9 | 0 | 0 | 0 | 113.2 | T254 F255 S376 | T254-D257 WeakPolarHBondContact O-CA 3.38Å; T254-D257 PolarHBondContact O-N 3.36Å; F255-D257 VanDerWaalsContact C-N 3.31Å; D257-S376 PolarHBondContact OD1-OG 2.99Å |
| 258 | Q | 67.4 | Low | 75.4 | Confident | 35 Ų | 35 | 52.2 Ų | 52.2 | 16% | 0.164 | 29% | 0.292 | C | S | . | . | trans | -119.4 | 161.8 | -178.5 | -55.8 | -164.3 | 20.1 | 0 | 0 | 113.4 | L225 H253 T254 E256 | L225-Q258 VanDerWaalsContact N-OE1 3.14Å; L225-Q258 PolarHBondContact O-OE1 3.21Å; H253-Q258 CarbonylContact C-O 3.54Å; H253-Q258 WeakPolarHBondContact CA-O 3.16Å; T254-Q258 WeakPolarHBondContact CG2-O 3.37Å; T254-Q258 PolarHBondContact N-O 2.89Å; T254-Q258 PolarHBondContact OG1-N 3.22Å; T254-Q258 PolarHBondContact OG1-O 3.18Å; E256-Q258 VanDerWaalsContact C-N 3.28Å; E256-Q258 HydrophobicContact CB-CG 4.18Å; E256-Q258 WeakPolarHBondContact O-CG 3.35Å; E256-Q258 PolarHBondContact O-N 2.94Å | ||
| 259 | I | 78.6 | Confident | 74.6 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | trans | -83.1 | 137.4 | 172.5 | -60.2 | -175.4 | 0 | 0 | 0 | 108.1 | L224 A242 A243 V244 V261 | L224-I259 HydrophobicContact CD2-CB 4.24Å; L224-I259 HydrophobicContact CD2-CD1 3.75Å; L224-I259 HydrophobicContact CD2-CG1 3.94Å; A242-I259 HydrophobicContact CB-CG2 4.38Å; A243-I259 WeakPolarHBondContact O-CG2 3.46Å; V244-I259 HydrophobicContact CG2-CD1 4.17Å; V244-I259 HydrophobicContact CG2-CG2 4.03Å; I259-V261 PolarHBondContact O-N 3.26Å | ||
| 260 | P | 80.2 | Confident | 73.9 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.013 | 28% | 0.281 | C | S | . | . | trans | -59.6 | 121.5 | 172.2 | -20.7 | 28.8 | 0 | 0 | 0 | 111.7 | L226 A242 A243 T254 L317 L321 | L226-P260 HydrophobicContact CD1-CB 4.15Å; A242-P260 VanDerWaalsContact CA-O 3.32Å; A242-P260 WeakPolarHBondContact CA-O 3.27Å; A243-P260 PolarHBondContact N-O 3.44Å; A243-P260 WeakPolarHBondContact O-CD 3.46Å; T254-P260 HydrophobicContact CG2-CG 3.87Å; P260-L317 HydrophobicContact CB-CD2 3.9Å; P260-L321 HydrophobicContact CG-CD2 3.98Å | ||
| 261 | V | 81.6 | Confident | 73.9 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 140.6 | 179.6 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | L224 L225 Y240 L241 A242 I259 | L224-V261 HydrophobicContact CB-CG2 4.42Å; L224-V261 WeakPolarHBondContact O-CG2 3.38Å; L225-V261 HydrophobicContact CD2-CB 3.83Å; L225-V261 HydrophobicContact CD2-CG1 3.41Å; L225-V261 VanDerWaalsContact CD2-CG1 3.41Å; L225-V261 HydrophobicContact CD2-CG2 4.4Å; Y240-V261 HydrophobicContact CD1-CG1 4.16Å; Y240-V261 HydrophobicContact CG-CG1 4.36Å; L241-V261 CarbonylContact O-C 3.53Å; L241-V261 VanDerWaalsContact O-CA 3.26Å; L241-V261 WeakPolarHBondContact O-CA 3.06Å; L241-V261 WeakPolarHBondContact O-CG1 3.37Å; A242-V261 HydrophobicContact CB-CG2 3.7Å; I259-V261 PolarHBondContact O-N 3.26Å |
| 262 | V | 85.7 | Confident | 74.1 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.2 | 176.3 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | Y240 L241 A313 T316 L317 | Y240-V262 CarbonylContact C-O 3.58Å; Y240-V262 WeakPolarHBondContact CA-O 3.26Å; L241-V262 PolarHBondContact N-O 3.02Å; L241-V262 PolarHBondContact O-N 2.97Å; V262-A313 HydrophobicContact CB-CB 4.29Å; V262-A313 HydrophobicContact CG1-CB 3.73Å; V262-T316 HydrophobicContact CG1-CG2 4.46Å; V262-T316 HydrophobicContact CG2-CG2 3.88Å; V262-L317 HydrophobicContact CB-CG 4.48Å; V262-L317 HydrophobicContact CG2-CD2 3.74Å; V262-L317 HydrophobicContact CG2-CG 3.73Å |
| 263 | L | 86 | Confident | 74.4 | Confident | 57 Ų | 57 | 48.6 Ų | 48.6 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 125.5 | 171.4 | 176.5 | 73.4 | 0 | 0 | 0 | 109.7 | L231 Y240 D265 | L231-L263 HydrophobicContact CD2-CB 3.68Å; L231-L263 HydrophobicContact CD2-CD2 3.72Å; L231-L263 HydrophobicContact CD2-CG 4.25Å; Y240-L263 HydrophobicContact CD1-CB 4.19Å; Y240-L263 HydrophobicContact CD1-CD1 3.87Å; Y240-L263 HydrophobicContact CE1-CB 4.22Å; Y240-L263 HydrophobicContact CE1-CD1 3.48Å; Y240-L263 VanDerWaalsContact CE1-CD1 3.48Å; Y240-L263 HydrophobicContact CE1-CG 4.45Å; Y240-L263 HydrophobicContact CE2-CD1 4.47Å; L263-D265 WeakPolarHBondContact CD1-O 3.47Å |
| 264 | I | 86.7 | Confident | 75.1 | Confident | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.046 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -53.5 | 172.7 | -61.3 | 156.3 | 0 | 0 | 0 | 109.1 | L239 L241 Y306 K309 L310 A313 F343 | L239-I264 HydrophobicContact CD2-CD1 4.05Å; L239-I264 HydrophobicContact CG-CD1 3.96Å; L239-I264 WeakPolarHBondContact O-CB 3.26Å; L239-I264 PolarHBondContact O-N 2.91Å; L241-I264 HydrophobicContact CB-CD1 3.9Å; L241-I264 HydrophobicContact CB-CG1 4.11Å; I264-Y306 HydrophobicContact CG2-CD2 4.36Å; I264-Y306 HydrophobicContact CG2-CE2 3.72Å; I264-K309 HydrophobicContact CG2-CB 4.05Å; I264-K309 WeakPolarHBondContact O-CD 3.36Å; I264-L310 HydrophobicContact CD1-CD1 3.59Å; I264-L310 HydrophobicContact CG1-CD1 4.08Å; I264-L310 HydrophobicContact CG2-CB 4.1Å; I264-A313 HydrophobicContact CG1-CB 3.81Å; I264-F343 HydrophobicContact CD1-CD2 4.32Å |
| 265 | D | 83.6 | Confident | 75.8 | Confident | 21 Ų | 21 | 48.5 Ų | 48.5 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 143.6 | -178 | -161.4 | 26.8 | 0 | 0 | 0 | 112.9 | G238 L239 L263 S267 Y306 K309 | G238-D265 WeakPolarHBondContact CA-O 3.33Å; L239-D265 PolarHBondContact N-O 3.49Å; L239-D265 PolarHBondContact O-N 3.46Å; L263-D265 WeakPolarHBondContact CD1-O 3.47Å; D265-S267 PolarHBondContact OD2-OG 2.83Å; D265-Y306 HydrophobicContact CB-CD2 4.41Å; D265-K309 HydrophobicContact CB-CD 4.48Å; D265-K309 IonicContact OD1-NZ 3.98Å; D265-K309 PolarHBondContact OD1-NZ 2.85Å; D265-K309 IonicContact OD2-NZ 2.7Å |
| 266 | S | 73.7 | Confident | 77.2 | Confident | 78 Ų | 78 | 44 Ų | 44 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -97.2 | -14.9 | 179.3 | 63.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 267 | S | 69.1 | Low | 78.2 | Confident | 66 Ų | 66 | 45.8 Ų | 45.8 | 46% | 0.462 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -76.5 | 129 | 165.3 | 83.9 | 0 | 0 | 0 | 0 | 106.9 | D265 | D265-S267 PolarHBondContact OD2-OG 2.83Š|
| 268 | G | 63.9 | Low | 79.2 | Confident | 28 Ų | 28 | 43.7 Ų | 43.7 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | trans | -52.6 | 161 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T270 | G268-T270 PolarHBondContact O-N 3.22Š| ||
| 269 | P | 59.6 | Low | 80.4 | Confident | 37 Ų | 37 | 42 Ų | 42 | 24% | 0.24 | 26% | 0.259 | C | S | . | . | trans | -74.4 | 89.9 | -167.7 | 27.7 | -33.3 | 0 | 0 | 0 | 112.7 | T271 I272 | P269-T271 PolarHBondContact O-N 2.71Å; P269-T271 VanDerWaalsContact O-N 3.08Å; P269-I272 HydrophobicContact CB-CB 4.26Å; P269-I272 HydrophobicContact CB-CD1 3.32Å; P269-I272 HydrophobicContact CB-CG1 3.27Å; P269-I272 HydrophobicContact CG-CD1 3.2Å; P269-I272 HydrophobicContact CG-CG1 3.79Å | ||
| 270 | T | 63 | Low | 81 | Confident | 126 Ų | 126 | 43.1 Ų | 43.1 | 77% | 0.773 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13.2 | 177.2 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | G268 | G268-T270 PolarHBondContact O-N 3.22Š|
| 271 | T | 76.6 | Confident | 81.4 | Confident | 64 Ų | 64 | 49.8 Ų | 49.8 | 39% | 0.393 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -155.2 | 56.3 | 173.2 | 50.7 | 0 | 0 | 0 | 0 | 114.8 | P269 A273 S274 Q275 | P269-T271 PolarHBondContact O-N 2.71Å; P269-T271 VanDerWaalsContact O-N 3.08Å; T271-A273 PolarHBondContact O-N 2.81Å; T271-S274 VanDerWaalsContact CB-OG 3.25Å; T271-S274 WeakPolarHBondContact CB-OG 3.16Å; T271-S274 PolarHBondContact O-N 3.46Å; T271-S274 VanDerWaalsContact O-N 3.13Å; T271-S274 PolarHBondContact O-OG 3.05Å; T271-S274 VanDerWaalsContact O-OG 3.12Å; T271-S274 PolarHBondContact OG1-OG 2.82Å; T271-Q275 WeakPolarHBondContact O-CG 3.31Å; T271-Q275 PolarHBondContact O-N 3.22Å; T271-Q275 PolarHBondContact OG1-NE2 3.09Å |
| 272 | I | 82.9 | Confident | 81.8 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 19% | 0.19 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -42.6 | -48.2 | 180 | -90.2 | 140.5 | 0 | 0 | 0 | 112.8 | L239 P269 S274 Q275 F276 P333 A341 F343 | L239-I272 HydrophobicContact CD1-CG1 4.44Å; P269-I272 HydrophobicContact CB-CB 4.26Å; P269-I272 HydrophobicContact CB-CD1 3.32Å; P269-I272 HydrophobicContact CB-CG1 3.27Å; P269-I272 HydrophobicContact CG-CD1 3.2Å; P269-I272 HydrophobicContact CG-CG1 3.79Å; I272-S274 PolarHBondContact O-N 3.14Å; I272-Q275 PolarHBondContact O-N 3.15Å; I272-F276 WeakPolarHBondContact O-CB 3.34Å; I272-F276 PolarHBondContact O-N 3.12Å; I272-P333 HydrophobicContact CG2-CB 4.05Å; I272-P333 HydrophobicContact CG2-CG 3.62Å; I272-A341 HydrophobicContact CD1-CB 3.69Å; I272-A341 HydrophobicContact CG1-CB 3.76Å; I272-F343 HydrophobicContact CG2-CE1 4.49Å |
| 273 | A | 83.9 | Confident | 81.9 | Confident | 73 Ų | 73 | 50.1 Ų | 50.1 | 60% | 0.603 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.1 | -44.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T271 Q275 F276 Q277 | T271-A273 PolarHBondContact O-N 2.81Å; A273-Q275 VanDerWaalsContact C-N 3.33Å; A273-F276 PolarHBondContact O-N 2.92Å; A273-Q277 VanDerWaalsContact O-CG 3.3Å; A273-Q277 WeakPolarHBondContact O-CG 2.92Å; A273-Q277 PolarHBondContact O-N 2.88Å |
| 274 | S | 85.9 | Confident | 81.7 | Confident | 53 Ų | 53 | 52.7 Ų | 52.7 | 37% | 0.371 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.4 | -37.2 | 179.4 | 77.4 | 0 | 0 | 0 | 0 | 111.2 | T271 I272 Q277 W278 | T271-S274 VanDerWaalsContact CB-OG 3.25Å; T271-S274 WeakPolarHBondContact CB-OG 3.16Å; T271-S274 PolarHBondContact O-N 3.46Å; T271-S274 VanDerWaalsContact O-N 3.13Å; T271-S274 PolarHBondContact O-OG 3.05Å; T271-S274 VanDerWaalsContact O-OG 3.12Å; T271-S274 PolarHBondContact OG1-OG 2.82Å; I272-S274 PolarHBondContact O-N 3.14Å; S274-Q277 PolarHBondContact O-N 2.7Å; S274-W278 PolarHBondContact O-N 3.01Å |
| 275 | Q | 87.6 | Confident | 81.4 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.037 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -71 | -38.2 | 178.1 | -59.4 | -45.7 | -20.7 | 0 | 0 | 112.3 | T271 I272 A273 W278 F279 Y306 F343 | T271-Q275 WeakPolarHBondContact O-CG 3.31Å; T271-Q275 PolarHBondContact O-N 3.22Å; T271-Q275 PolarHBondContact OG1-NE2 3.09Å; I272-Q275 PolarHBondContact O-N 3.15Å; A273-Q275 VanDerWaalsContact C-N 3.33Å; Q275-W278 PolarHBondContact O-N 3.09Å; Q275-F279 WeakPolarHBondContact O-CB 3.33Å; Q275-F279 PolarHBondContact O-N 2.84Å; Q275-Y306 HydrophobicContact CB-CD1 4.22Å; Q275-Y306 HydrophobicContact CB-CE1 3.44Å; Q275-Y306 VanDerWaalsContact CB-CE1 3.44Å; Q275-Y306 HydrophobicContact CB-CE2 4.5Å; Q275-Y306 HydrophobicContact CG-CD1 3.64Å; Q275-Y306 HydrophobicContact CG-CD2 4.38Å; Q275-Y306 HydrophobicContact CG-CE1 3.34Å; Q275-Y306 HydrophobicContact CG-CE2 4.09Å; Q275-Y306 HydrophobicContact CG-CG 4.18Å; Q275-F343 HydrophobicContact CB-CE2 4.33Å; Q275-F343 HydrophobicContact CB-CZ 4.16Å |
| 276 | F | 90 | Very high | 80.9 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 5% | 0.048 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 175.5 | -176 | -107.1 | 0 | 0 | 0 | 111.1 | I272 A273 W278 F279 L280 H330 V331 R332 P333 F343 | I272-F276 WeakPolarHBondContact O-CB 3.34Å; I272-F276 PolarHBondContact O-N 3.12Å; A273-F276 PolarHBondContact O-N 2.92Å; F276-W278 PolarHBondContact O-N 3.41Å; F276-F279 AromaticContact CD2-CD1 3.89Å; F276-F279 HydrophobicContact CD2-CD1 3.89Å; F276-F279 AromaticContact CE2-CD1 3.86Å; F276-F279 HydrophobicContact CE2-CD1 3.86Å; F276-F279 HydrophobicContact CE2-CE1 4.12Å; F276-F279 WeakPolarHBondContact O-CB 3.49Å; F276-F279 PolarHBondContact O-N 3.24Å; F276-L280 HydrophobicContact CD1-CD1 4.18Å; F276-L280 HydrophobicContact CD1-CG 4.37Å; F276-L280 HydrophobicContact CE1-CD1 3.78Å; F276-L280 HydrophobicContact CE1-CD2 4.16Å; F276-L280 HydrophobicContact CE1-CG 4.03Å; F276-L280 HydrophobicContact CE2-CD2 4.43Å; F276-L280 HydrophobicContact CZ-CD1 4.37Å; F276-L280 HydrophobicContact CZ-CD2 3.9Å; F276-L280 HydrophobicContact CZ-CG 4.21Å; F276-L280 WeakPolarHBondContact O-CG 3.41Å; F276-L280 PolarHBondContact O-N 3.27Å; F276-H330 VanDerWaalsContact CZ-O 3.25Å; F276-H330 WeakPolarHBondContact CZ-O 3.4Å; F276-V331 WeakPolarHBondContact CE1-O 3.15Å; F276-R332 VanDerWaalsContact CZ-CA 3.49Å; F276-P333 HydrophobicContact CD2-CB 4.14Å; F276-P333 HydrophobicContact CD2-CG 4.37Å; F276-P333 HydrophobicContact CE2-CB 4.5Å; F276-P333 HydrophobicContact CG-CG 4.28Å; F276-F343 HydrophobicContact CB-CE1 3.87Å; F276-F343 HydrophobicContact CB-CE2 4.39Å; F276-F343 HydrophobicContact CB-CZ 3.7Å; F276-F343 AromaticContact CD2-CD1 3.64Å; F276-F343 HydrophobicContact CD2-CD1 3.64Å; F276-F343 HydrophobicContact CD2-CD2 4.44Å; F276-F343 AromaticContact CD2-CE1 3.66Å; F276-F343 HydrophobicContact CD2-CE1 3.66Å; F276-F343 HydrophobicContact CD2-CE2 4.44Å; F276-F343 HydrophobicContact CD2-CG 4.06Å; F276-F343 HydrophobicContact CD2-CZ 4.08Å; F276-F343 HydrophobicContact CE2-CD1 4.33Å; F276-F343 HydrophobicContact CG-CE1 4.22Å; F276-F343 HydrophobicContact CG-CZ 4.41Å |
| 277 | Q | 88.5 | Confident | 81.2 | Confident | 110 Ų | 110 | 64.5 Ų | 64.5 | 51% | 0.514 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -59.2 | -36.3 | 173.6 | -73.8 | -65.1 | -38.5 | 0 | 0 | 112.7 | A273 S274 K281 | A273-Q277 VanDerWaalsContact O-CG 3.3Å; A273-Q277 WeakPolarHBondContact O-CG 2.92Å; A273-Q277 PolarHBondContact O-N 2.88Å; S274-Q277 PolarHBondContact O-N 2.7Å; Q277-K281 WeakPolarHBondContact O-CG 3.48Å; Q277-K281 PolarHBondContact O-N 3.27Å |
| 278 | W | 88.6 | Confident | 81.9 | Confident | 43 Ų | 43 | 62.4 Ų | 62.4 | 16% | 0.163 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -75.7 | -36.6 | 176.3 | -167.9 | 80.4 | 0 | 0 | 0 | 112.5 | S274 Q275 F276 L280 K281 L282 R307 L310 I311 | S274-W278 PolarHBondContact O-N 3.01Å; Q275-W278 PolarHBondContact O-N 3.09Å; F276-W278 PolarHBondContact O-N 3.41Å; W278-L280 VanDerWaalsContact C-N 3.35Å; W278-L280 PolarHBondContact O-N 3.33Å; W278-K281 WeakPolarHBondContact O-CB 3.02Å; W278-K281 PolarHBondContact O-N 2.98Å; W278-K281 VanDerWaalsContact O-N 3.15Å; W278-L282 HydrophobicContact CD2-CD1 4.47Å; W278-L282 HydrophobicContact CD2-CG 4.37Å; W278-L282 HydrophobicContact CE3-CD1 3.69Å; W278-L282 HydrophobicContact CE3-CG 4.04Å; W278-L282 HydrophobicContact CH2-CD1 3.69Å; W278-L282 HydrophobicContact CH2-CD2 4.08Å; W278-L282 HydrophobicContact CH2-CG 4.14Å; W278-L282 HydrophobicContact CZ2-CD1 4.41Å; W278-L282 HydrophobicContact CZ2-CD2 4.1Å; W278-L282 HydrophobicContact CZ2-CG 4.38Å; W278-L282 HydrophobicContact CZ3-CD1 3.26Å; W278-L282 HydrophobicContact CZ3-CD2 4.4Å; W278-L282 HydrophobicContact CZ3-CG 3.96Å; W278-L282 PolarHBondContact O-N 3.16Å; W278-R307 HydrophobicContact CD2-CG 3.78Å; W278-R307 HydrophobicContact CE3-CB 4.27Å; W278-R307 HydrophobicContact CE3-CG 3.78Å; W278-R307 HydrophobicContact CG-CG 4.43Å; W278-R307 HydrophobicContact CH2-CB 3.43Å; W278-R307 VanDerWaalsContact CH2-CB 3.43Å; W278-R307 HydrophobicContact CH2-CG 3.75Å; W278-R307 WeakPolarHBondContact CH2-O 3.16Å; W278-R307 HydrophobicContact CZ2-CB 3.83Å; W278-R307 HydrophobicContact CZ2-CG 3.85Å; W278-R307 HydrophobicContact CZ3-CB 3.69Å; W278-R307 HydrophobicContact CZ3-CG 3.73Å; W278-R307 WeakPolarHBondContact CZ3-O 3.24Å; W278-L310 HydrophobicContact CE3-CD2 3.48Å; W278-L310 VanDerWaalsContact CE3-CD2 3.48Å; W278-L310 HydrophobicContact CE3-CG 4.32Å; W278-L310 HydrophobicContact CZ3-CB 4.06Å; W278-L310 HydrophobicContact CZ3-CD2 3.65Å; W278-L310 HydrophobicContact CZ3-CG 3.99Å; W278-I311 HydrophobicContact CH2-CD1 3.56Å; W278-I311 HydrophobicContact CH2-CG1 3.58Å; W278-I311 HydrophobicContact CZ2-CD1 4.17Å; W278-I311 HydrophobicContact CZ3-CG1 4.19Å |
| 279 | F | 92.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -56.7 | -45.7 | 169.8 | 164.7 | -109.1 | 0 | 0 | 0 | 112 | L241 Q275 F276 K281 L282 C283 L310 M314 A329 F343 T345 | L241-F279 HydrophobicContact CD1-CD2 4.21Å; L241-F279 HydrophobicContact CD1-CE2 3.45Å; L241-F279 VanDerWaalsContact CD1-CE2 3.45Å; L241-F279 HydrophobicContact CD1-CZ 3.85Å; Q275-F279 WeakPolarHBondContact O-CB 3.33Å; Q275-F279 PolarHBondContact O-N 2.84Å; F276-F279 AromaticContact CD2-CD1 3.89Å; F276-F279 HydrophobicContact CD2-CD1 3.89Å; F276-F279 AromaticContact CE2-CD1 3.86Å; F276-F279 HydrophobicContact CE2-CD1 3.86Å; F276-F279 HydrophobicContact CE2-CE1 4.12Å; F276-F279 WeakPolarHBondContact O-CB 3.49Å; F276-F279 PolarHBondContact O-N 3.24Å; F279-K281 VanDerWaalsContact C-N 3.26Å; F279-K281 PolarHBondContact O-N 3.39Å; F279-L282 WeakPolarHBondContact O-CA 3.11Å; F279-L282 WeakPolarHBondContact O-CB 3.48Å; F279-L282 PolarHBondContact O-N 3.3Å; F279-C283 WeakPolarHBondContact CE2-SG 3.43Å; F279-C283 VanDerWaalsContact CZ-SG 3.52Å; F279-C283 PolarHBondContact O-N 3.49Å; F279-L310 HydrophobicContact CB-CD2 3.93Å; F279-L310 HydrophobicContact CD2-CD1 4.29Å; F279-M314 HydrophobicContact CD2-SD 4.3Å; F279-M314 HydrophobicContact CE2-SD 4.45Å; F279-A329 HydrophobicContact CD1-CB 4.41Å; F279-A329 HydrophobicContact CE1-CB 3.61Å; F279-A329 HydrophobicContact CZ-CB 4.05Å; F279-F343 HydrophobicContact CB-CD2 3.75Å; F279-F343 HydrophobicContact CB-CE2 3.89Å; F279-F343 HydrophobicContact CD1-CB 4.07Å; F279-F343 AromaticContact CD1-CD2 3.94Å; F279-F343 HydrophobicContact CD1-CD2 3.94Å; F279-F343 HydrophobicContact CD1-CG 4.11Å; F279-F343 HydrophobicContact CD2-CD2 4.17Å; F279-F343 HydrophobicContact CE1-CB 3.91Å; F279-F343 HydrophobicContact CE1-CG 4.43Å; F279-F343 HydrophobicContact CE2-CB 4.4Å; F279-F343 HydrophobicContact CG-CB 4.37Å; F279-F343 AromaticContact CG-CD2 3.68Å; F279-F343 HydrophobicContact CG-CD2 3.68Å; F279-F343 HydrophobicContact CG-CE2 4.32Å; F279-F343 HydrophobicContact CG-CG 4.29Å; F279-F343 HydrophobicContact CZ-CB 4.07Å; F279-T345 HydrophobicContact CE2-CG2 4.08Å; F279-T345 HydrophobicContact CZ-CG2 3.7Å |
| 280 | L | 91 | Very high | 83.5 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 25% | 0.251 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.4 | -41.7 | 175.1 | -67.3 | 179.6 | 0 | 0 | 0 | 111.8 | F276 W278 L282 C283 C284 A329 | F276-L280 HydrophobicContact CD1-CD1 4.18Å; F276-L280 HydrophobicContact CD1-CG 4.37Å; F276-L280 HydrophobicContact CE1-CD1 3.78Å; F276-L280 HydrophobicContact CE1-CD2 4.16Å; F276-L280 HydrophobicContact CE1-CG 4.03Å; F276-L280 HydrophobicContact CE2-CD2 4.43Å; F276-L280 HydrophobicContact CZ-CD1 4.37Å; F276-L280 HydrophobicContact CZ-CD2 3.9Å; F276-L280 HydrophobicContact CZ-CG 4.21Å; F276-L280 WeakPolarHBondContact O-CG 3.41Å; F276-L280 PolarHBondContact O-N 3.27Å; W278-L280 VanDerWaalsContact C-N 3.35Å; W278-L280 PolarHBondContact O-N 3.33Å; L280-L282 VanDerWaalsContact C-N 3.32Å; L280-L282 PolarHBondContact O-N 3.43Å; L280-C283 PolarHBondContact O-N 2.97Å; L280-C284 PolarHBondContact O-N 3.5Å; L280-C284 PolarHBondContact O-SG 2.82Å; L280-C284 VanDerWaalsContact O-SG 3.33Å; L280-A329 HydrophobicContact CD2-CB 3.44Å; L280-A329 VanDerWaalsContact CD2-CB 3.44Å |
| 281 | K | 88.3 | Confident | 83.8 | Confident | 142 Ų | 142 | 63.3 Ų | 63.3 | 62% | 0.617 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.9 | -37.8 | 175.6 | -66.3 | 173.3 | -176 | -177.5 | 0 | 112.4 | Q277 W278 F279 C284 A285 | Q277-K281 WeakPolarHBondContact O-CG 3.48Å; Q277-K281 PolarHBondContact O-N 3.27Å; W278-K281 WeakPolarHBondContact O-CB 3.02Å; W278-K281 PolarHBondContact O-N 2.98Å; W278-K281 VanDerWaalsContact O-N 3.15Å; F279-K281 VanDerWaalsContact C-N 3.26Å; F279-K281 PolarHBondContact O-N 3.39Å; K281-C284 PolarHBondContact O-N 3.15Å; K281-A285 PolarHBondContact O-N 3.13Å |
| 282 | L | 90 | Very high | 82.8 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 5% | 0.052 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 175.9 | -71.4 | -177.5 | 0 | 0 | 0 | 112.1 | W278 F279 L280 C284 A285 L288 P289 L310 I311 M314 | W278-L282 HydrophobicContact CD2-CD1 4.47Å; W278-L282 HydrophobicContact CD2-CG 4.37Å; W278-L282 HydrophobicContact CE3-CD1 3.69Å; W278-L282 HydrophobicContact CE3-CG 4.04Å; W278-L282 HydrophobicContact CH2-CD1 3.69Å; W278-L282 HydrophobicContact CH2-CD2 4.08Å; W278-L282 HydrophobicContact CH2-CG 4.14Å; W278-L282 HydrophobicContact CZ2-CD1 4.41Å; W278-L282 HydrophobicContact CZ2-CD2 4.1Å; W278-L282 HydrophobicContact CZ2-CG 4.38Å; W278-L282 HydrophobicContact CZ3-CD1 3.26Å; W278-L282 HydrophobicContact CZ3-CD2 4.4Å; W278-L282 HydrophobicContact CZ3-CG 3.96Å; W278-L282 PolarHBondContact O-N 3.16Å; F279-L282 WeakPolarHBondContact O-CA 3.11Å; F279-L282 WeakPolarHBondContact O-CB 3.48Å; F279-L282 PolarHBondContact O-N 3.3Å; L280-L282 VanDerWaalsContact C-N 3.32Å; L280-L282 PolarHBondContact O-N 3.43Å; L282-C284 PolarHBondContact O-N 2.8Å; L282-A285 WeakPolarHBondContact O-CB 3.5Å; L282-A285 PolarHBondContact O-N 2.74Å; L282-L288 HydrophobicContact CB-CD2 4.37Å; L282-L288 HydrophobicContact CD2-CD2 4.27Å; L282-P289 HydrophobicContact CD2-CG 4.21Å; L282-L310 HydrophobicContact CD1-CD2 4.3Å; L282-L310 HydrophobicContact CD1-CG 4.14Å; L282-I311 HydrophobicContact CD1-CG1 3.98Å; L282-I311 HydrophobicContact CD2-CG1 4.3Å; L282-M314 HydrophobicContact CB-CE 4.18Å; L282-M314 HydrophobicContact CB-SD 3.69Å; L282-M314 HydrophobicContact CD1-SD 3.57Å; L282-M314 VanDerWaalsContact CD1-SD 3.57Å; L282-M314 HydrophobicContact CG-SD 4.31Å |
| 283 | C | 88.1 | Confident | 81.4 | Confident | 31 Ų | 31 | 67.4 Ų | 67.4 | 21% | 0.209 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.2 | -25.8 | 175.3 | -68.4 | 0 | 0 | 0 | 0 | 112.8 | F279 L280 A329 | F279-C283 WeakPolarHBondContact CE2-SG 3.43Å; F279-C283 VanDerWaalsContact CZ-SG 3.52Å; F279-C283 PolarHBondContact O-N 3.49Å; L280-C283 PolarHBondContact O-N 2.97Å; C283-A329 HydrophobicContact CB-CB 4.14Å |
| 284 | C | 82.5 | Confident | 79.7 | Confident | 112 Ų | 112 | 69.5 Ų | 69.5 | 76% | 0.757 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -6.7 | 173.6 | -60.5 | 0 | 0 | 0 | 0 | 113.9 | L280 K281 L282 | L280-C284 PolarHBondContact O-N 3.5Å; L280-C284 PolarHBondContact O-SG 2.82Å; L280-C284 VanDerWaalsContact O-SG 3.33Å; K281-C284 PolarHBondContact O-N 3.15Å; L282-C284 PolarHBondContact O-N 2.8Å |
| 285 | A | 80.7 | Confident | 78.1 | Confident | 44 Ų | 44 | 70.1 Ų | 70.1 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -77.4 | 138.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | K281 L282 S287 | K281-A285 PolarHBondContact O-N 3.13Å; L282-A285 WeakPolarHBondContact O-CB 3.5Å; L282-A285 PolarHBondContact O-N 2.74Å; A285-S287 PolarHBondContact O-N 3.47Å |
| 286 | K | 72.8 | Confident | 76.4 | Confident | 218 Ų | 218 | 76.2 Ų | 76.2 | 95% | 0.948 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -62.3 | -29.5 | 176.5 | -68.9 | -176.5 | 177.2 | -178.7 | 0 | 112.9 | ||
| 287 | S | 80.2 | Confident | 74.6 | Confident | 93 Ų | 93 | 79.6 Ų | 79.6 | 65% | 0.65 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -152 | 151 | 177 | 57 | 0 | 0 | 0 | 0 | 109.3 | A285 | A285-S287 PolarHBondContact O-N 3.47Š|
| 288 | L | 84.6 | Confident | 73.2 | Confident | 23 Ų | 23 | 75.6 Ų | 75.6 | 12% | 0.12 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 135.5 | 177.1 | -71.4 | 179.2 | 0 | 0 | 0 | 110.8 | L282 S290 I311 M314 R315 | L282-L288 HydrophobicContact CB-CD2 4.37Å; L282-L288 HydrophobicContact CD2-CD2 4.27Å; L288-S290 PolarHBondContact O-N 3.17Å; L288-I311 HydrophobicContact CB-CG2 4.47Å; L288-M314 HydrophobicContact CD1-CB 3.56Å; L288-M314 HydrophobicContact CD2-CB 4.25Å; L288-M314 HydrophobicContact CD2-CE 3.87Å; L288-M314 HydrophobicContact CD2-SD 3.82Å; L288-R315 HydrophobicContact CD1-CG 3.76Å |
| 289 | P | 81 | Confident | 71.7 | Confident | 63 Ų | 63 | 76.5 Ų | 76.5 | 41% | 0.409 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 134 | 177.8 | -23 | 32.2 | 0 | 0 | 0 | 112 | L282 V291 I311 R315 | L282-P289 HydrophobicContact CD2-CG 4.21Å; P289-V291 PolarHBondContact O-N 2.92Å; P289-I311 HydrophobicContact CB-CD1 4.31Å; P289-I311 HydrophobicContact CG-CD1 4.35Å; P289-R315 PolarHBondContact O-NH2 3.35Å |
| 290 | S | 75.7 | Confident | 70.2 | Confident | 111 Ų | 111 | 84.6 Ų | 84.6 | 78% | 0.776 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 130.1 | 170.7 | 52.7 | 0 | 0 | 0 | 0 | 109.7 | L288 | L288-S290 PolarHBondContact O-N 3.17Š|
| 291 | V | 68 | Low | 69.2 | Low | 36 Ų | 36 | 84.8 Ų | 84.8 | 22% | 0.218 | 52% | 0.52 | C | S | . | . | trans | -106.5 | 99.8 | 174.9 | -178.2 | 0 | 0 | 0 | 0 | 106.5 | P289 C293 V308 I311 | P289-V291 PolarHBondContact O-N 2.92Å; V291-C293 WeakPolarHBondContact CG1-O 3.24Å; V291-V308 HydrophobicContact CG1-CB 4.38Å; V291-V308 HydrophobicContact CG1-CG1 3.81Å; V291-V308 HydrophobicContact CG1-CG2 3.83Å; V291-I311 HydrophobicContact CG2-CB 4.1Å; V291-I311 HydrophobicContact CG2-CD1 3.73Å; V291-I311 HydrophobicContact CG2-CG2 3.75Å | ||
| 292 | C | 55.7 | Low | 68.5 | Low | 122 Ų | 122 | 82.6 Ų | 82.6 | 82% | 0.824 | 52% | 0.523 | S | S | * | . | trans | -83.9 | -25.5 | 175.3 | -168 | 0 | 0 | 0 | 0 | 111.6 | T294 | C292-T294 PolarHBondContact O-N 3.48Š| ||
| 293 | C | 53.3 | Low | 68 | Low | 65 Ų | 65 | 85.1 Ų | 85.1 | 44% | 0.439 | 54% | 0.536 | S | S | . | . | trans | -85.6 | 101.9 | -177.2 | -51.2 | 0 | 0 | 0 | 0 | 110.1 | V291 A297 V298 | V291-C293 WeakPolarHBondContact CG1-O 3.24Å; C293-A297 HydrophobicContact CB-CB 4.37Å; C293-V298 HydrophobicContact CB-CG2 3.65Å | ||
| 294 | T | 49.5 | Very low | 67.7 | Low | 117 Ų | 117 | 87.6 Ų | 87.6 | 72% | 0.718 | 55% | 0.546 | S | S | * | . | trans | -113.1 | 152.6 | 169.7 | 56.1 | 0 | 0 | 0 | 0 | 110.2 | C292 D296 | C292-T294 PolarHBondContact O-N 3.48Å; T294-D296 PolarHBondContact O-N 3.05Å | ||
| 295 | G | 52 | Low | 67.7 | Low | 66 Ų | 66 | 84.2 Ų | 84.2 | 68% | 0.68 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -81.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 296 | D | 51.6 | Low | 67.9 | Low | 135 Ų | 135 | 83 Ų | 83 | 72% | 0.722 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | -37.6 | -156 | -59.5 | -32.9 | 0 | 0 | 0 | 113.9 | T294 V298 S299 | T294-D296 PolarHBondContact O-N 3.05Å; D296-V298 PolarHBondContact O-N 3.04Å; D296-V298 VanDerWaalsContact O-N 3.12Å; D296-S299 WeakPolarHBondContact O-CB 3.35Å; D296-S299 PolarHBondContact O-N 3.36Å; D296-S299 PolarHBondContact O-OG 2.7Å |
| 297 | A | 53.2 | Low | 68.6 | Low | 82 Ų | 82 | 76.4 Ų | 76.4 | 68% | 0.678 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -21.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | C293 | C293-A297 HydrophobicContact CB-CB 4.37Š|
| 298 | V | 57.6 | Low | 69 | Low | 27 Ų | 27 | 74 Ų | 74 | 16% | 0.164 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -2.6 | -177.5 | -166.9 | 0 | 0 | 0 | 0 | 111.8 | C293 D296 H300 C301 L304 T305 | C293-V298 HydrophobicContact CB-CG2 3.65Å; D296-V298 PolarHBondContact O-N 3.04Å; D296-V298 VanDerWaalsContact O-N 3.12Å; V298-H300 PolarHBondContact O-N 2.91Å; V298-H300 VanDerWaalsContact O-N 3.16Å; V298-C301 PolarHBondContact O-N 3.4Å; V298-L304 VanDerWaalsContact CG1-C 3.46Å; V298-L304 HydrophobicContact CG1-CB 3.27Å; V298-T305 PolarHBondContact O-OG1 3.17Å |
| 299 | S | 58.2 | Low | 69.2 | Low | 61 Ų | 61 | 76.7 Ų | 76.7 | 43% | 0.427 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -32.4 | -170.2 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | D296 C301 | D296-S299 WeakPolarHBondContact O-CB 3.35Å; D296-S299 PolarHBondContact O-N 3.36Å; D296-S299 PolarHBondContact O-OG 2.7Å; S299-C301 PolarHBondContact O-N 3.49Å |
| 300 | H | 59.8 | Low | 69.6 | Low | 170 Ų | 170 | 73.7 Ų | 73.7 | 79% | 0.787 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -6.5 | -175.8 | -56.9 | -65.1 | 0 | 0 | 0 | 114.8 | V298 | V298-H300 PolarHBondContact O-N 2.91Å; V298-H300 VanDerWaalsContact O-N 3.16Å |
| 301 | C | 69.7 | Low | 70.4 | Confident | 52 Ų | 52 | 68.8 Ų | 68.8 | 35% | 0.351 | 42% | 0.415 | S | S | . | . | trans | -124.1 | 96 | -179.4 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | V298 S299 L303 L304 T305 | V298-C301 PolarHBondContact O-N 3.4Å; S299-C301 PolarHBondContact O-N 3.49Å; C301-L303 PolarHBondContact O-N 3.35Å; C301-L304 HydrophobicContact CB-CB 4.13Å; C301-L304 HydrophobicContact CB-CD1 3.99Å; C301-L304 HydrophobicContact CB-CG 4.17Å; C301-L304 PolarHBondContact O-N 2.9Å; C301-T305 PolarHBondContact O-N 2.9Å; C301-T305 PolarHBondContact O-OG1 2.97Å | ||
| 302 | S | 75.1 | Confident | 71.4 | Confident | 97 Ų | 97 | 71.5 Ų | 71.5 | 68% | 0.678 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -50.2 | -37.3 | -178.5 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | Y306 | S302-Y306 VanDerWaalsContact O-CB 3.31Å; S302-Y306 WeakPolarHBondContact O-CB 3.45Å; S302-Y306 PolarHBondContact O-N 3.14Å |
| 303 | L | 78.9 | Confident | 73 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 33% | 0.33 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 177.1 | -164.1 | 87.7 | 0 | 0 | 0 | 112.5 | C301 R307 | C301-L303 PolarHBondContact O-N 3.35Å; L303-R307 WeakPolarHBondContact O-CG 3.42Å; L303-R307 PolarHBondContact O-N 3.26Å; L303-R307 VanDerWaalsContact O-N 3.15Å |
| 304 | L | 81.3 | Confident | 74.8 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -73.8 | -39 | 178.4 | -68 | 176.3 | 0 | 0 | 0 | 110.9 | V298 C301 Y306 R307 V308 | V298-L304 VanDerWaalsContact CG1-C 3.46Å; V298-L304 HydrophobicContact CG1-CB 3.27Å; C301-L304 HydrophobicContact CB-CB 4.13Å; C301-L304 HydrophobicContact CB-CD1 3.99Å; C301-L304 HydrophobicContact CB-CG 4.17Å; C301-L304 PolarHBondContact O-N 2.9Å; L304-Y306 PolarHBondContact O-N 3.13Å; L304-R307 PolarHBondContact O-N 3.46Å; L304-R307 VanDerWaalsContact O-N 3.11Å; L304-V308 WeakPolarHBondContact O-CG2 3.19Å; L304-V308 PolarHBondContact O-N 3.24Å |
| 305 | T | 82.2 | Confident | 76.6 | Confident | 41 Ų | 41 | 60.1 Ų | 60.1 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -56.7 | -43.2 | 174.2 | -43.6 | 0 | 0 | 0 | 0 | 110.3 | V298 C301 V308 K309 | V298-T305 PolarHBondContact O-OG1 3.17Å; C301-T305 PolarHBondContact O-N 2.9Å; C301-T305 PolarHBondContact O-OG1 2.97Å; T305-V308 PolarHBondContact O-N 3.16Å; T305-K309 WeakPolarHBondContact O-CG 3.32Å; T305-K309 PolarHBondContact O-N 3.16Å |
| 306 | Y | 84.9 | Confident | 78.1 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 8% | 0.075 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 175.9 | 175.9 | -79 | 0 | 0 | 0 | 112.2 | L239 I264 D265 Q275 S302 L304 V308 K309 L310 | L239-Y306 HydrophobicContact CD2-CE2 3.43Å; L239-Y306 VanDerWaalsContact CD2-CE2 3.43Å; L239-Y306 VanDerWaalsContact CD2-CZ 3.46Å; L239-Y306 WeakPolarHBondContact CD2-OH 3.46Å; I264-Y306 HydrophobicContact CG2-CD2 4.36Å; I264-Y306 HydrophobicContact CG2-CE2 3.72Å; D265-Y306 HydrophobicContact CB-CD2 4.41Å; Q275-Y306 HydrophobicContact CB-CD1 4.22Å; Q275-Y306 HydrophobicContact CB-CE1 3.44Å; Q275-Y306 VanDerWaalsContact CB-CE1 3.44Å; Q275-Y306 HydrophobicContact CB-CE2 4.5Å; Q275-Y306 HydrophobicContact CG-CD1 3.64Å; Q275-Y306 HydrophobicContact CG-CD2 4.38Å; Q275-Y306 HydrophobicContact CG-CE1 3.34Å; Q275-Y306 HydrophobicContact CG-CE2 4.09Å; Q275-Y306 HydrophobicContact CG-CG 4.18Å; S302-Y306 VanDerWaalsContact O-CB 3.31Å; S302-Y306 WeakPolarHBondContact O-CB 3.45Å; S302-Y306 PolarHBondContact O-N 3.14Å; L304-Y306 PolarHBondContact O-N 3.13Å; Y306-V308 VanDerWaalsContact C-N 3.29Å; Y306-V308 PolarHBondContact O-N 3.22Å; Y306-K309 WeakPolarHBondContact O-CB 3.43Å; Y306-K309 PolarHBondContact O-N 2.78Å; Y306-K309 VanDerWaalsContact O-N 3.14Å; Y306-L310 HydrophobicContact CE1-CB 4.05Å; Y306-L310 HydrophobicContact CE1-CD2 3.9Å; Y306-L310 PolarHBondContact O-N 3.49Å |
| 307 | R | 88.3 | Confident | 79.7 | Confident | 79 Ų | 79 | 52.5 Ų | 52.5 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 179.2 | -76.9 | -178.4 | -178.9 | 170.4 | 4.7 | 112.4 | W278 L303 L304 L310 I311 | W278-R307 HydrophobicContact CD2-CG 3.78Å; W278-R307 HydrophobicContact CE3-CB 4.27Å; W278-R307 HydrophobicContact CE3-CG 3.78Å; W278-R307 HydrophobicContact CG-CG 4.43Å; W278-R307 HydrophobicContact CH2-CB 3.43Å; W278-R307 VanDerWaalsContact CH2-CB 3.43Å; W278-R307 HydrophobicContact CH2-CG 3.75Å; W278-R307 WeakPolarHBondContact CH2-O 3.16Å; W278-R307 HydrophobicContact CZ2-CB 3.83Å; W278-R307 HydrophobicContact CZ2-CG 3.85Å; W278-R307 HydrophobicContact CZ3-CB 3.69Å; W278-R307 HydrophobicContact CZ3-CG 3.73Å; W278-R307 WeakPolarHBondContact CZ3-O 3.24Å; L303-R307 WeakPolarHBondContact O-CG 3.42Å; L303-R307 PolarHBondContact O-N 3.26Å; L303-R307 VanDerWaalsContact O-N 3.15Å; L304-R307 PolarHBondContact O-N 3.46Å; L304-R307 VanDerWaalsContact O-N 3.11Å; R307-L310 PolarHBondContact O-N 2.85Å; R307-I311 WeakPolarHBondContact O-CG1 3.4Å; R307-I311 PolarHBondContact O-N 3.2Å |
| 308 | V | 87.9 | Confident | 81.2 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 26% | 0.261 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 173.3 | 167.3 | 0 | 0 | 0 | 0 | 111 | V291 L304 T305 Y306 L310 I311 Q312 | V291-V308 HydrophobicContact CG1-CB 4.38Å; V291-V308 HydrophobicContact CG1-CG1 3.81Å; V291-V308 HydrophobicContact CG1-CG2 3.83Å; L304-V308 WeakPolarHBondContact O-CG2 3.19Å; L304-V308 PolarHBondContact O-N 3.24Å; T305-V308 PolarHBondContact O-N 3.16Å; Y306-V308 VanDerWaalsContact C-N 3.29Å; Y306-V308 PolarHBondContact O-N 3.22Å; V308-L310 VanDerWaalsContact C-N 3.31Å; V308-L310 PolarHBondContact O-N 2.83Å; V308-I311 PolarHBondContact O-N 2.63Å; V308-Q312 WeakPolarHBondContact O-CB 3.44Å; V308-Q312 PolarHBondContact O-N 2.76Å |
| 309 | K | 88.7 | Confident | 82.3 | Confident | 79 Ų | 79 | 54.7 Ų | 54.7 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.5 | -41.4 | 175.7 | -72.4 | 171.4 | 171.6 | -179.5 | 0 | 112.4 | I264 D265 T305 Y306 Q312 A313 | I264-K309 HydrophobicContact CG2-CB 4.05Å; I264-K309 WeakPolarHBondContact O-CD 3.36Å; D265-K309 HydrophobicContact CB-CD 4.48Å; D265-K309 IonicContact OD1-NZ 3.98Å; D265-K309 PolarHBondContact OD1-NZ 2.85Å; D265-K309 IonicContact OD2-NZ 2.7Å; T305-K309 WeakPolarHBondContact O-CG 3.32Å; T305-K309 PolarHBondContact O-N 3.16Å; Y306-K309 WeakPolarHBondContact O-CB 3.43Å; Y306-K309 PolarHBondContact O-N 2.78Å; Y306-K309 VanDerWaalsContact O-N 3.14Å; K309-Q312 PolarHBondContact O-N 2.96Å; K309-A313 WeakPolarHBondContact O-CB 3.43Å; K309-A313 PolarHBondContact O-N 3.38Å |
| 310 | L | 90.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 178.7 | 175.7 | 59.5 | 0 | 0 | 0 | 112.3 | I264 W278 F279 L282 Y306 R307 V308 Q312 A313 M314 F343 | I264-L310 HydrophobicContact CD1-CD1 3.59Å; I264-L310 HydrophobicContact CG1-CD1 4.08Å; I264-L310 HydrophobicContact CG2-CB 4.1Å; W278-L310 HydrophobicContact CE3-CD2 3.48Å; W278-L310 VanDerWaalsContact CE3-CD2 3.48Å; W278-L310 HydrophobicContact CE3-CG 4.32Å; W278-L310 HydrophobicContact CZ3-CB 4.06Å; W278-L310 HydrophobicContact CZ3-CD2 3.65Å; W278-L310 HydrophobicContact CZ3-CG 3.99Å; F279-L310 HydrophobicContact CB-CD2 3.93Å; F279-L310 HydrophobicContact CD2-CD1 4.29Å; L282-L310 HydrophobicContact CD1-CD2 4.3Å; L282-L310 HydrophobicContact CD1-CG 4.14Å; Y306-L310 HydrophobicContact CE1-CB 4.05Å; Y306-L310 HydrophobicContact CE1-CD2 3.9Å; Y306-L310 PolarHBondContact O-N 3.49Å; R307-L310 PolarHBondContact O-N 2.85Å; V308-L310 VanDerWaalsContact C-N 3.31Å; V308-L310 PolarHBondContact O-N 2.83Å; L310-Q312 VanDerWaalsContact C-N 3.29Å; L310-Q312 PolarHBondContact O-N 2.88Å; L310-A313 PolarHBondContact O-N 2.85Å; L310-M314 PolarHBondContact O-N 2.72Å; L310-F343 HydrophobicContact CD1-CD2 4.42Å |
| 311 | I | 91.8 | Very high | 84.2 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 5% | 0.046 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 172.1 | -70.7 | 164.1 | 0 | 0 | 0 | 110.2 | W278 L282 L288 P289 V291 R307 V308 A313 M314 R315 | W278-I311 HydrophobicContact CH2-CD1 3.56Å; W278-I311 HydrophobicContact CH2-CG1 3.58Å; W278-I311 HydrophobicContact CZ2-CD1 4.17Å; W278-I311 HydrophobicContact CZ3-CG1 4.19Å; L282-I311 HydrophobicContact CD1-CG1 3.98Å; L282-I311 HydrophobicContact CD2-CG1 4.3Å; L288-I311 HydrophobicContact CB-CG2 4.47Å; P289-I311 HydrophobicContact CB-CD1 4.31Å; P289-I311 HydrophobicContact CG-CD1 4.35Å; V291-I311 HydrophobicContact CG2-CB 4.1Å; V291-I311 HydrophobicContact CG2-CD1 3.73Å; V291-I311 HydrophobicContact CG2-CG2 3.75Å; R307-I311 WeakPolarHBondContact O-CG1 3.4Å; R307-I311 PolarHBondContact O-N 3.2Å; V308-I311 PolarHBondContact O-N 2.63Å; I311-A313 VanDerWaalsContact C-N 3.35Å; I311-A313 PolarHBondContact O-N 2.93Å; I311-M314 PolarHBondContact O-N 2.84Å; I311-R315 PolarHBondContact O-N 3.24Å |
| 312 | Q | 89.1 | Confident | 84.5 | Confident | 93 Ų | 93 | 48.7 Ų | 48.7 | 44% | 0.435 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 179.1 | -171.4 | 60.6 | 20.5 | 0 | 0 | 111.6 | V308 K309 L310 M314 R315 T316 | V308-Q312 WeakPolarHBondContact O-CB 3.44Å; V308-Q312 PolarHBondContact O-N 2.76Å; K309-Q312 PolarHBondContact O-N 2.96Å; L310-Q312 VanDerWaalsContact C-N 3.29Å; L310-Q312 PolarHBondContact O-N 2.88Å; Q312-M314 PolarHBondContact O-N 2.7Å; Q312-R315 WeakPolarHBondContact O-CB 3.28Å; Q312-R315 PolarHBondContact O-N 3.34Å; Q312-T316 PolarHBondContact O-N 3.12Å; Q312-T316 PolarHBondContact O-OG1 3.46Å; Q312-T316 VanDerWaalsContact O-OG1 3.05Å |
| 313 | A | 89.1 | Confident | 84.6 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L241 V262 I264 K309 L310 I311 T316 L317 | L241-A313 HydrophobicContact CD2-CB 4.2Å; V262-A313 HydrophobicContact CB-CB 4.29Å; V262-A313 HydrophobicContact CG1-CB 3.73Å; I264-A313 HydrophobicContact CG1-CB 3.81Å; K309-A313 WeakPolarHBondContact O-CB 3.43Å; K309-A313 PolarHBondContact O-N 3.38Å; L310-A313 PolarHBondContact O-N 2.85Å; I311-A313 VanDerWaalsContact C-N 3.35Å; I311-A313 PolarHBondContact O-N 2.93Å; A313-T316 PolarHBondContact O-N 3.02Å; A313-L317 PolarHBondContact O-N 2.94Å |
| 314 | M | 90.7 | Very high | 84.8 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 3% | 0.034 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 174.1 | -70.9 | -175.3 | 75 | 0 | 0 | 111.5 | L241 F279 L282 L288 L310 I311 Q312 T316 L317 Q318 L326 | L241-M314 HydrophobicContact CD2-CB 4.24Å; L241-M314 HydrophobicContact CD2-CG 3.46Å; L241-M314 VanDerWaalsContact CD2-CG 3.46Å; F279-M314 HydrophobicContact CD2-SD 4.3Å; F279-M314 HydrophobicContact CE2-SD 4.45Å; L282-M314 HydrophobicContact CB-CE 4.18Å; L282-M314 HydrophobicContact CB-SD 3.69Å; L282-M314 HydrophobicContact CD1-SD 3.57Å; L282-M314 VanDerWaalsContact CD1-SD 3.57Å; L282-M314 HydrophobicContact CG-SD 4.31Å; L288-M314 HydrophobicContact CD1-CB 3.56Å; L288-M314 HydrophobicContact CD2-CB 4.25Å; L288-M314 HydrophobicContact CD2-CE 3.87Å; L288-M314 HydrophobicContact CD2-SD 3.82Å; L310-M314 PolarHBondContact O-N 2.72Å; I311-M314 PolarHBondContact O-N 2.84Å; Q312-M314 PolarHBondContact O-N 2.7Å; M314-T316 VanDerWaalsContact C-N 3.34Å; M314-T316 PolarHBondContact O-N 3.36Å; M314-L317 PolarHBondContact O-N 3.01Å; M314-Q318 VanDerWaalsContact O-CG 3.31Å; M314-Q318 WeakPolarHBondContact O-CG 3.44Å; M314-Q318 PolarHBondContact O-N 2.91Å; M314-L326 HydrophobicContact CE-CD1 4.5Å |
| 315 | R | 88.1 | Confident | 84.9 | Confident | 55 Ų | 55 | 49.6 Ų | 49.6 | 21% | 0.208 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 174.4 | -76.4 | -172.1 | 177.5 | 123.1 | 9.4 | 112.2 | L288 P289 I311 Q312 L317 Q318 E319 | L288-R315 HydrophobicContact CD1-CG 3.76Å; P289-R315 PolarHBondContact O-NH2 3.35Å; I311-R315 PolarHBondContact O-N 3.24Å; Q312-R315 WeakPolarHBondContact O-CB 3.28Å; Q312-R315 PolarHBondContact O-N 3.34Å; R315-L317 VanDerWaalsContact C-N 3.29Å; R315-L317 PolarHBondContact O-N 3.34Å; R315-Q318 WeakPolarHBondContact O-CB 3.26Å; R315-Q318 PolarHBondContact O-N 2.87Å; R315-Q318 VanDerWaalsContact O-N 3.12Å; R315-E319 WeakPolarHBondContact O-CB 3.46Å; R315-E319 VanDerWaalsContact O-CG 3.3Å; R315-E319 WeakPolarHBondContact O-CG 3.48Å; R315-E319 PolarHBondContact O-N 3.16Å |
| 316 | T | 84.5 | Confident | 85 | Confident | 40 Ų | 40 | 48 Ų | 48 | 25% | 0.245 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -42 | 177 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | V262 Q312 A313 M314 E319 I320 | V262-T316 HydrophobicContact CG1-CG2 4.46Å; V262-T316 HydrophobicContact CG2-CG2 3.88Å; Q312-T316 PolarHBondContact O-N 3.12Å; Q312-T316 PolarHBondContact O-OG1 3.46Å; Q312-T316 VanDerWaalsContact O-OG1 3.05Å; A313-T316 PolarHBondContact O-N 3.02Å; M314-T316 VanDerWaalsContact C-N 3.34Å; M314-T316 PolarHBondContact O-N 3.36Å; T316-E319 PolarHBondContact O-N 2.85Å; T316-I320 HydrophobicContact CG2-CD1 3.69Å; T316-I320 HydrophobicContact CG2-CG1 4.4Å; T316-I320 WeakPolarHBondContact O-CB 3.46Å; T316-I320 WeakPolarHBondContact O-CD1 2.95Å; T316-I320 WeakPolarHBondContact O-CG1 3.46Å; T316-I320 PolarHBondContact O-N 2.96Å |
| 317 | L | 83.9 | Confident | 85 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -40.6 | 173.6 | -75.9 | 176.6 | 0 | 0 | 0 | 112.9 | L241 A243 P260 V262 A313 M314 R315 E319 I320 L321 L326 | L241-L317 HydrophobicContact CB-CD1 4.28Å; L241-L317 HydrophobicContact CD2-CD1 3.58Å; L241-L317 HydrophobicContact CG-CD1 3.53Å; A243-L317 HydrophobicContact CB-CD1 4.01Å; A243-L317 HydrophobicContact CB-CD2 4.35Å; P260-L317 HydrophobicContact CB-CD2 3.9Å; V262-L317 HydrophobicContact CB-CG 4.48Å; V262-L317 HydrophobicContact CG2-CD2 3.74Å; V262-L317 HydrophobicContact CG2-CG 3.73Å; A313-L317 PolarHBondContact O-N 2.94Å; M314-L317 PolarHBondContact O-N 3.01Å; R315-L317 VanDerWaalsContact C-N 3.29Å; R315-L317 PolarHBondContact O-N 3.34Å; L317-E319 VanDerWaalsContact C-N 3.31Å; L317-E319 PolarHBondContact O-N 3.47Å; L317-I320 PolarHBondContact O-N 2.51Å; L317-L321 VanDerWaalsContact O-CB 3.24Å; L317-L321 WeakPolarHBondContact O-CB 3.25Å; L317-L321 VanDerWaalsContact O-CG 3.32Å; L317-L321 WeakPolarHBondContact O-CG 2.99Å; L317-L321 PolarHBondContact O-N 3.27Å; L317-L326 HydrophobicContact CB-CD1 3.94Å; L317-L326 HydrophobicContact CB-CD2 4.28Å; L317-L326 HydrophobicContact CD1-CD1 4.49Å |
| 318 | Q | 85 | Confident | 84.9 | Confident | 33 Ų | 33 | 50 Ų | 50 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 175.4 | -70.1 | 172.4 | -27.8 | 0 | 0 | 111.5 | M314 R315 G322 Q323 D324 L326 | M314-Q318 VanDerWaalsContact O-CG 3.31Å; M314-Q318 WeakPolarHBondContact O-CG 3.44Å; M314-Q318 PolarHBondContact O-N 2.91Å; R315-Q318 WeakPolarHBondContact O-CB 3.26Å; R315-Q318 PolarHBondContact O-N 2.87Å; R315-Q318 VanDerWaalsContact O-N 3.12Å; Q318-G322 VanDerWaalsContact O-CA 3.31Å; Q318-G322 WeakPolarHBondContact O-CA 3.19Å; Q318-G322 PolarHBondContact O-N 3.05Å; Q318-Q323 WeakPolarHBondContact CA-O 3.46Å; Q318-Q323 VanDerWaalsContact CB-O 3.22Å; Q318-Q323 WeakPolarHBondContact CB-O 3.23Å; Q318-Q323 VanDerWaalsContact CG-O 3.26Å; Q318-Q323 WeakPolarHBondContact CG-O 3.32Å; Q318-Q323 PolarHBondContact O-N 2.97Å; Q318-D324 PolarHBondContact NE2-O 3.26Å; Q318-L326 HydrophobicContact CG-CD1 4.17Å; Q318-L326 HydrophobicContact CG-CD2 4.21Å; Q318-L326 HydrophobicContact CG-CG 4.02Å |
| 319 | E | 80 | Confident | 85 | Confident | 122 Ų | 122 | 49 Ų | 49 | 57% | 0.57 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -66.1 | -47.1 | 177.2 | -73.8 | 170.6 | -178.8 | 0 | 0 | 111.9 | R315 T316 L317 G322 | R315-E319 WeakPolarHBondContact O-CB 3.46Å; R315-E319 VanDerWaalsContact O-CG 3.3Å; R315-E319 WeakPolarHBondContact O-CG 3.48Å; R315-E319 PolarHBondContact O-N 3.16Å; T316-E319 PolarHBondContact O-N 2.85Å; L317-E319 VanDerWaalsContact C-N 3.31Å; L317-E319 PolarHBondContact O-N 3.47Å; E319-G322 PolarHBondContact O-N 3.36Å |
| 320 | I | 78.9 | Confident | 84.6 | Confident | 98 Ų | 98 | 48.1 Ų | 48.1 | 50% | 0.503 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 179.3 | -70.2 | 166.8 | 0 | 0 | 0 | 111.1 | T316 L317 | T316-I320 HydrophobicContact CG2-CD1 3.69Å; T316-I320 HydrophobicContact CG2-CG1 4.4Å; T316-I320 WeakPolarHBondContact O-CB 3.46Å; T316-I320 WeakPolarHBondContact O-CD1 2.95Å; T316-I320 WeakPolarHBondContact O-CG1 3.46Å; T316-I320 PolarHBondContact O-N 2.96Å; L317-I320 PolarHBondContact O-N 2.51Å |
| 321 | L | 80.5 | Confident | 84.2 | Confident | 29 Ų | 29 | 53.9 Ų | 53.9 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -85.5 | -13.2 | -177.8 | -66.3 | 172.5 | 0 | 0 | 0 | 113.3 | A243 M245 P260 L317 Q323 L326 F375 | A243-L321 HydrophobicContact CB-CD1 3.64Å; M245-L321 HydrophobicContact CG-CD1 4.34Å; M245-L321 HydrophobicContact CG-CD2 4.34Å; M245-L321 HydrophobicContact SD-CD1 4.22Å; P260-L321 HydrophobicContact CG-CD2 3.98Å; L317-L321 VanDerWaalsContact O-CB 3.24Å; L317-L321 WeakPolarHBondContact O-CB 3.25Å; L317-L321 VanDerWaalsContact O-CG 3.32Å; L317-L321 WeakPolarHBondContact O-CG 2.99Å; L317-L321 PolarHBondContact O-N 3.27Å; L321-Q323 VanDerWaalsContact C-N 3.26Å; L321-Q323 HydrophobicContact CB-CB 4.45Å; L321-Q323 PolarHBondContact O-N 3.43Å; L321-L326 HydrophobicContact CD1-CD2 3.75Å; L321-F375 HydrophobicContact CD2-CZ 4.41Å |
| 322 | G | 74.6 | Confident | 83.7 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 35.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q318 E319 | Q318-G322 VanDerWaalsContact O-CA 3.31Å; Q318-G322 WeakPolarHBondContact O-CA 3.19Å; Q318-G322 PolarHBondContact O-N 3.05Å; E319-G322 PolarHBondContact O-N 3.36Å |
| 323 | Q | 77 | Confident | 83.3 | Confident | 31 Ų | 31 | 58.6 Ų | 58.6 | 15% | 0.145 | 31% | 0.307 | C | S | . | . | trans | -136.5 | 124.6 | -176.8 | -67.2 | -67 | -72.8 | 0 | 0 | 109.9 | Q318 L321 D325 | Q318-Q323 WeakPolarHBondContact CA-O 3.46Å; Q318-Q323 VanDerWaalsContact CB-O 3.22Å; Q318-Q323 WeakPolarHBondContact CB-O 3.23Å; Q318-Q323 VanDerWaalsContact CG-O 3.26Å; Q318-Q323 WeakPolarHBondContact CG-O 3.32Å; Q318-Q323 PolarHBondContact O-N 2.97Å; L321-Q323 VanDerWaalsContact C-N 3.26Å; L321-Q323 HydrophobicContact CB-CB 4.45Å; L321-Q323 PolarHBondContact O-N 3.43Å; Q323-D325 VanDerWaalsContact C-N 3.34Å | ||
| 324 | D | 84.5 | Confident | 82.8 | Confident | 142 Ų | 142 | 62.2 Ų | 62.2 | 76% | 0.759 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -69.3 | -37.4 | 173.2 | -60.1 | -43.5 | 0 | 0 | 0 | 111.2 | Q318 | Q318-D324 PolarHBondContact NE2-O 3.26Š|
| 325 | D | 82.6 | Confident | 82.4 | Confident | 88 Ų | 88 | 65.7 Ų | 65.7 | 47% | 0.471 | 35% | 0.347 | S | S | . | . | trans | -93.9 | 120.1 | 178 | 166 | 39.6 | 0 | 0 | 0 | 110.5 | Q323 G327 K347 | Q323-D325 VanDerWaalsContact C-N 3.34Å; D325-G327 WeakPolarHBondContact OD1-CA 3.4Å; D325-G327 PolarHBondContact OD1-N 3.09Å; D325-K347 WeakPolarHBondContact O-CD 3.13Å; D325-K347 WeakPolarHBondContact O-CE 3.04Å; D325-K347 PolarHBondContact O-NZ 3.04Å; D325-K347 WeakPolarHBondContact OD2-CE 3.35Å; D325-K347 IonicContact OD2-NZ 2.73Å; D325-K347 PolarHBondContact OD2-NZ 2.92Å | ||
| 326 | L | 85.7 | Confident | 81.5 | Confident | 7 Ų | 7 | 65.6 Ų | 65.6 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | trans | -94.2 | 3.7 | 177 | -62.9 | 179.9 | 0 | 0 | 0 | 113.1 | M314 L317 Q318 L321 T345 | M314-L326 HydrophobicContact CE-CD1 4.5Å; L317-L326 HydrophobicContact CB-CD1 3.94Å; L317-L326 HydrophobicContact CB-CD2 4.28Å; L317-L326 HydrophobicContact CD1-CD1 4.49Å; Q318-L326 HydrophobicContact CG-CD1 4.17Å; Q318-L326 HydrophobicContact CG-CD2 4.21Å; Q318-L326 HydrophobicContact CG-CG 4.02Å; L321-L326 HydrophobicContact CD1-CD2 3.75Å; L326-T345 HydrophobicContact CB-CG2 4.18Å; L326-T345 VanDerWaalsContact O-CB 3.26Å; L326-T345 WeakPolarHBondContact O-CB 3.06Å; L326-T345 PolarHBondContact O-OG1 3.24Å; L326-T345 VanDerWaalsContact O-OG1 3.08Å | ||
| 327 | G | 84.8 | Confident | 80.8 | Confident | 17 Ų | 17 | 74 Ų | 74 | 18% | 0.175 | 38% | 0.378 | C | S | . | . | trans | 83.2 | -153.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D325 | D325-G327 WeakPolarHBondContact OD1-CA 3.4Å; D325-G327 PolarHBondContact OD1-N 3.09Å | ||
| 328 | I | 85.7 | Confident | 80.1 | Confident | 124 Ų | 124 | 78.7 Ų | 78.7 | 64% | 0.636 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 143.7 | -175.4 | 57.8 | 168.8 | 0 | 0 | 0 | 111.1 | T345 V346 | I328-T345 CarbonylContact O-C 3.56Å; I328-T345 VanDerWaalsContact O-CA 3.26Å; I328-T345 WeakPolarHBondContact O-CA 3.47Å; I328-V346 HydrophobicContact CG1-CB 4.31Å; I328-V346 VanDerWaalsContact CG1-O 3.29Å; I328-V346 WeakPolarHBondContact CG1-O 3.29Å; I328-V346 PolarHBondContact N-O 2.81Å; I328-V346 PolarHBondContact O-N 2.95Å |
| 329 | A | 89.1 | Confident | 79.4 | Confident | 21 Ų | 21 | 83.7 Ų | 83.7 | 17% | 0.174 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 140.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F279 L280 C283 | F279-A329 HydrophobicContact CD1-CB 4.41Å; F279-A329 HydrophobicContact CE1-CB 3.61Å; F279-A329 HydrophobicContact CZ-CB 4.05Å; L280-A329 HydrophobicContact CD2-CB 3.44Å; L280-A329 VanDerWaalsContact CD2-CB 3.44Å; C283-A329 HydrophobicContact CB-CB 4.14Å |
| 330 | H | 81.8 | Confident | 79.3 | Confident | 62 Ų | 62 | 78.8 Ų | 78.8 | 29% | 0.287 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -62 | 145.4 | 166 | -177 | -97.8 | 0 | 0 | 0 | 109.7 | F276 R332 V344 | F276-H330 VanDerWaalsContact CZ-O 3.25Å; F276-H330 WeakPolarHBondContact CZ-O 3.4Å; H330-R332 PolarHBondContact ND1-N 3.16Å; H330-R332 PolarHBondContact ND1-O 2.68Å; H330-R332 PolarHBondContact O-N 2.96Å; H330-R332 VanDerWaalsContact O-N 3.14Å; H330-V344 HydrophobicContact CB-CB 3.88Å; H330-V344 HydrophobicContact CB-CG1 4.47Å; H330-V344 WeakPolarHBondContact CB-O 3.15Å; H330-V344 PolarHBondContact N-O 3.17Å |
| 331 | V | 81.4 | Confident | 79.5 | Confident | 121 Ų | 121 | 74.1 Ų | 74.1 | 73% | 0.733 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -64.2 | -24.1 | -168.1 | -176.8 | 0 | 0 | 0 | 0 | 114 | F276 | F276-V331 WeakPolarHBondContact CE1-O 3.15Š|
| 332 | R | 80 | Confident | 79.7 | Confident | 172 Ų | 172 | 73.3 Ų | 73.3 | 65% | 0.649 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -144.4 | 152.8 | -179.2 | 61.2 | -178.7 | 127 | 96.1 | 2 | 112.2 | F276 H330 | F276-R332 VanDerWaalsContact CZ-CA 3.49Å; H330-R332 PolarHBondContact ND1-N 3.16Å; H330-R332 PolarHBondContact ND1-O 2.68Å; H330-R332 PolarHBondContact O-N 2.96Å; H330-R332 VanDerWaalsContact O-N 3.14Å |
| 333 | P | 82.1 | Confident | 80.5 | Confident | 29 Ų | 29 | 71.9 Ų | 71.9 | 19% | 0.188 | 36% | 0.361 | C | S | . | . | trans | -64 | 141.8 | 170.8 | 28.9 | -34.5 | 0 | 0 | 0 | 110.1 | I272 F276 V335 F343 | I272-P333 HydrophobicContact CG2-CB 4.05Å; I272-P333 HydrophobicContact CG2-CG 3.62Å; F276-P333 HydrophobicContact CD2-CB 4.14Å; F276-P333 HydrophobicContact CD2-CG 4.37Å; F276-P333 HydrophobicContact CE2-CB 4.5Å; F276-P333 HydrophobicContact CG-CG 4.28Å; P333-V335 HydrophobicContact CB-CG2 4.48Å; P333-F343 HydrophobicContact CB-CD1 3.85Å; P333-F343 HydrophobicContact CB-CE1 3.75Å | ||
| 334 | I | 78.9 | Confident | 81 | Confident | 78 Ų | 78 | 71 Ų | 71 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.6 | 173.5 | -57.6 | -179.8 | 0 | 0 | 0 | 107.2 | A341 V342 V344 | I334-A341 CarbonylContact O-C 3.55Å; I334-A341 VanDerWaalsContact O-CA 3.31Å; I334-A341 WeakPolarHBondContact O-CA 3.23Å; I334-V342 HydrophobicContact CB-CB 4.43Å; I334-V342 PolarHBondContact N-O 2.95Å; I334-V342 PolarHBondContact O-N 3.34Å; I334-V344 HydrophobicContact CD1-CG2 3.71Å; I334-V344 HydrophobicContact CG1-CG2 4.28Å |
| 335 | V | 80.9 | Confident | 81.3 | Confident | 80 Ų | 80 | 64.2 Ų | 64.2 | 49% | 0.485 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.4 | -177.7 | -171.4 | 0 | 0 | 0 | 0 | 109.6 | P333 N340 A341 | P333-V335 HydrophobicContact CB-CG2 4.48Å; V335-N340 CarbonylContact C-O 3.58Å; V335-N340 VanDerWaalsContact CA-O 3.28Å; V335-N340 WeakPolarHBondContact CA-O 3.48Å; V335-A341 HydrophobicContact CG2-CB 4.16Å |
| 336 | D | 70.6 | Confident | 81.5 | Confident | 53 Ų | 53 | 62 Ų | 62 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | trans | -94.9 | 167.7 | 175.3 | -177.3 | 29.3 | 0 | 0 | 0 | 111.7 | L221 N338 E339 N340 | L221-D336 HydrophobicContact CD1-CB 3.41Å; L221-D336 VanDerWaalsContact CD1-CB 3.41Å; L221-D336 HydrophobicContact CG-CB 4.24Å; D336-N338 PolarHBondContact O-N 2.86Å; D336-N338 VanDerWaalsContact O-N 3.14Å; D336-N338 PolarHBondContact OD2-ND2 2.89Å; D336-E339 PolarHBondContact O-N 3.06Å; D336-N340 HydrophobicContact CB-CB 4.45Å; D336-N340 PolarHBondContact N-O 2.91Å | ||
| 337 | R | 68.7 | Low | 81.4 | Confident | 218 Ų | 218 | 62.2 Ų | 62.2 | 82% | 0.823 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.2 | 176.9 | -62 | -178.9 | 178.4 | -158.3 | -7.2 | 113.7 | E339 | R337-E339 PolarHBondContact O-N 2.91Š|
| 338 | N | 69.7 | Low | 81.2 | Confident | 98 Ų | 98 | 63.3 Ų | 63.3 | 52% | 0.524 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 17.1 | 177.7 | -58.6 | -37.6 | 0 | 0 | 0 | 112.7 | D336 N340 | D336-N338 PolarHBondContact O-N 2.86Å; D336-N338 VanDerWaalsContact O-N 3.14Å; D336-N338 PolarHBondContact OD2-ND2 2.89Å; N338-N340 PolarHBondContact O-N 2.95Å |
| 339 | E | 71.2 | Confident | 80.9 | Confident | 137 Ų | 137 | 59.5 Ų | 59.5 | 64% | 0.64 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 59.5 | 14.3 | -176.5 | -55.6 | -172.9 | 161.1 | 0 | 0 | 114.9 | D336 R337 | D336-E339 PolarHBondContact O-N 3.06Å; R337-E339 PolarHBondContact O-N 2.91Å |
| 340 | N | 77.9 | Confident | 79.9 | Confident | 20 Ų | 20 | 63.5 Ų | 63.5 | 11% | 0.107 | 31% | 0.311 | C | S | . | . | trans | -70.1 | 136.2 | 169.5 | -68 | -41.4 | 0 | 0 | 0 | 109.3 | L221 K236 S237 G238 Y240 V335 D336 N338 | L221-N340 HydrophobicContact CD1-CB 3.88Å; K236-N340 PolarHBondContact O-OD1 2.85Å; S237-N340 WeakPolarHBondContact CA-OD1 3.2Å; G238-N340 PolarHBondContact N-OD1 3.22Å; G238-N340 WeakPolarHBondContact O-CA 3.4Å; Y240-N340 HydrophobicContact CE2-CB 4.38Å; V335-N340 CarbonylContact C-O 3.58Å; V335-N340 VanDerWaalsContact CA-O 3.28Å; V335-N340 WeakPolarHBondContact CA-O 3.48Å; D336-N340 HydrophobicContact CB-CB 4.45Å; D336-N340 PolarHBondContact N-O 2.91Å; N338-N340 PolarHBondContact O-N 2.95Å | ||
| 341 | A | 82.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G238 L239 Y240 I272 I334 V335 | G238-A341 PolarHBondContact O-N 2.79Å; L239-A341 WeakPolarHBondContact CA-O 3.47Å; L239-A341 HydrophobicContact CD1-CB 3.33Å; L239-A341 WeakPolarHBondContact CD1-O 3.38Å; Y240-A341 WeakPolarHBondContact CD2-O 3.2Å; Y240-A341 PolarHBondContact N-O 2.88Å; I272-A341 HydrophobicContact CD1-CB 3.69Å; I272-A341 HydrophobicContact CG1-CB 3.76Å; I334-A341 CarbonylContact O-C 3.55Å; I334-A341 VanDerWaalsContact O-CA 3.31Å; I334-A341 WeakPolarHBondContact O-CA 3.23Å; V335-A341 HydrophobicContact CG2-CB 4.16Å |
| 342 | V | 85.2 | Confident | 77.3 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 123.3 | 177.6 | -169.5 | 0 | 0 | 0 | 0 | 109 | L221 Y240 A242 I334 V344 | L221-V342 HydrophobicContact CD1-CG2 4.3Å; L221-V342 HydrophobicContact CD2-CG2 3.86Å; Y240-V342 HydrophobicContact CD2-CG2 4.49Å; Y240-V342 CarbonylContact O-C 3.54Å; Y240-V342 WeakPolarHBondContact O-CA 3.21Å; A242-V342 HydrophobicContact CB-CG1 3.76Å; I334-V342 HydrophobicContact CB-CB 4.43Å; I334-V342 PolarHBondContact N-O 2.95Å; I334-V342 PolarHBondContact O-N 3.34Å; V342-V344 HydrophobicContact CG1-CG2 3.97Å |
| 343 | F | 90.4 | Very high | 75.4 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 135.5 | 166.2 | -64.1 | -4.9 | 0 | 0 | 0 | 107.7 | L239 Y240 L241 A242 I264 I272 Q275 F276 F279 L310 P333 | L239-F343 HydrophobicContact CD1-CD1 4.03Å; L239-F343 HydrophobicContact CD1-CE1 3.65Å; L239-F343 HydrophobicContact CD1-CZ 3.93Å; L239-F343 HydrophobicContact CD2-CE1 4.5Å; L239-F343 HydrophobicContact CD2-CE2 4.11Å; L239-F343 HydrophobicContact CD2-CZ 3.96Å; Y240-F343 PolarHBondContact O-N 2.93Å; L241-F343 CarbonylContact C-O 3.48Å; L241-F343 WeakPolarHBondContact CA-O 3.44Å; L241-F343 HydrophobicContact CD1-CB 3.81Å; A242-F343 PolarHBondContact N-O 3.28Å; I264-F343 HydrophobicContact CD1-CD2 4.32Å; I272-F343 HydrophobicContact CG2-CE1 4.49Å; Q275-F343 HydrophobicContact CB-CE2 4.33Å; Q275-F343 HydrophobicContact CB-CZ 4.16Å; F276-F343 HydrophobicContact CB-CE1 3.87Å; F276-F343 HydrophobicContact CB-CE2 4.39Å; F276-F343 HydrophobicContact CB-CZ 3.7Å; F276-F343 AromaticContact CD2-CD1 3.64Å; F276-F343 HydrophobicContact CD2-CD1 3.64Å; F276-F343 HydrophobicContact CD2-CD2 4.44Å; F276-F343 AromaticContact CD2-CE1 3.66Å; F276-F343 HydrophobicContact CD2-CE1 3.66Å; F276-F343 HydrophobicContact CD2-CE2 4.44Å; F276-F343 HydrophobicContact CD2-CG 4.06Å; F276-F343 HydrophobicContact CD2-CZ 4.08Å; F276-F343 HydrophobicContact CE2-CD1 4.33Å; F276-F343 HydrophobicContact CG-CE1 4.22Å; F276-F343 HydrophobicContact CG-CZ 4.41Å; F279-F343 HydrophobicContact CB-CD2 3.75Å; F279-F343 HydrophobicContact CB-CE2 3.89Å; F279-F343 HydrophobicContact CD1-CB 4.07Å; F279-F343 AromaticContact CD1-CD2 3.94Å; F279-F343 HydrophobicContact CD1-CD2 3.94Å; F279-F343 HydrophobicContact CD1-CG 4.11Å; F279-F343 HydrophobicContact CD2-CD2 4.17Å; F279-F343 HydrophobicContact CE1-CB 3.91Å; F279-F343 HydrophobicContact CE1-CG 4.43Å; F279-F343 HydrophobicContact CE2-CB 4.4Å; F279-F343 HydrophobicContact CG-CB 4.37Å; F279-F343 AromaticContact CG-CD2 3.68Å; F279-F343 HydrophobicContact CG-CD2 3.68Å; F279-F343 HydrophobicContact CG-CE2 4.32Å; F279-F343 HydrophobicContact CG-CG 4.29Å; F279-F343 HydrophobicContact CZ-CB 4.07Å; L310-F343 HydrophobicContact CD1-CD2 4.42Å; P333-F343 HydrophobicContact CB-CD1 3.85Å; P333-F343 HydrophobicContact CB-CE1 3.75Å |
| 344 | V | 88.3 | Confident | 73.2 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 131.9 | -172.2 | -176.3 | 0 | 0 | 0 | 0 | 109 | A242 V244 H330 I334 V342 V346 | A242-V344 HydrophobicContact CB-CG2 4.28Å; A242-V344 CarbonylContact O-C 3.5Å; A242-V344 WeakPolarHBondContact O-CA 3.31Å; V244-V344 HydrophobicContact CG2-CG1 3.71Å; H330-V344 HydrophobicContact CB-CB 3.88Å; H330-V344 HydrophobicContact CB-CG1 4.47Å; H330-V344 WeakPolarHBondContact CB-O 3.15Å; H330-V344 PolarHBondContact N-O 3.17Å; I334-V344 HydrophobicContact CD1-CG2 3.71Å; I334-V344 HydrophobicContact CG1-CG2 4.28Å; V342-V344 HydrophobicContact CG1-CG2 3.97Å; V344-V346 HydrophobicContact CG1-CG2 4.27Å |
| 345 | T | 90 | Very high | 71.1 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 151.5 | 163.1 | 69.7 | 0 | 0 | 0 | 0 | 110.3 | A242 A243 V244 F279 L326 I328 | A242-T345 PolarHBondContact O-N 3.15Å; A243-T345 WeakPolarHBondContact CA-OG1 3.08Å; V244-T345 WeakPolarHBondContact CB-O 3.43Å; V244-T345 PolarHBondContact N-O 3.07Å; F279-T345 HydrophobicContact CE2-CG2 4.08Å; F279-T345 HydrophobicContact CZ-CG2 3.7Å; L326-T345 HydrophobicContact CB-CG2 4.18Å; L326-T345 VanDerWaalsContact O-CB 3.26Å; L326-T345 WeakPolarHBondContact O-CB 3.06Å; L326-T345 PolarHBondContact O-OG1 3.24Å; L326-T345 VanDerWaalsContact O-OG1 3.08Å; I328-T345 CarbonylContact O-C 3.56Å; I328-T345 VanDerWaalsContact O-CA 3.26Å; I328-T345 WeakPolarHBondContact O-CA 3.47Å |
| 346 | V | 87.6 | Confident | 68.5 | Low | 40 Ų | 40 | 67.6 Ų | 67.6 | 24% | 0.242 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 125.8 | 179.5 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | V244 Y246 I328 V344 | V244-V346 HydrophobicContact CB-CG2 4.36Å; V244-V346 CarbonylContact O-C 3.56Å; V244-V346 VanDerWaalsContact O-CA 3.26Å; V244-V346 WeakPolarHBondContact O-CA 3.41Å; Y246-V346 HydrophobicContact CD1-CG1 3.84Å; Y246-V346 HydrophobicContact CE1-CG1 3.83Å; I328-V346 HydrophobicContact CG1-CB 4.31Å; I328-V346 VanDerWaalsContact CG1-O 3.29Å; I328-V346 WeakPolarHBondContact CG1-O 3.29Å; I328-V346 PolarHBondContact N-O 2.81Å; I328-V346 PolarHBondContact O-N 2.95Å; V344-V346 HydrophobicContact CG1-CG2 4.27Å |
| 347 | K | 83.9 | Confident | 66.6 | Low | 13 Ų | 13 | 70.8 Ų | 70.8 | 6% | 0.057 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 131.8 | 179.8 | -179.1 | 161.8 | 166.1 | 165.3 | 0 | 112.7 | V244 M245 Y246 D325 | V244-K347 PolarHBondContact O-N 3.37Å; M245-K347 WeakPolarHBondContact CA-O 2.99Å; M245-K347 HydrophobicContact CE-CB 3.78Å; M245-K347 HydrophobicContact CE-CD 3.68Å; M245-K347 HydrophobicContact CE-CG 3.78Å; M245-K347 HydrophobicContact SD-CB 3.69Å; M245-K347 HydrophobicContact SD-CD 4.43Å; M245-K347 HydrophobicContact SD-CG 4.36Å; Y246-K347 VanDerWaalsContact CD1-O 3.25Å; Y246-K347 WeakPolarHBondContact CD1-O 3.12Å; Y246-K347 PolarHBondContact N-O 3.37Å; D325-K347 WeakPolarHBondContact O-CD 3.13Å; D325-K347 WeakPolarHBondContact O-CE 3.04Å; D325-K347 PolarHBondContact O-NZ 3.04Å; D325-K347 WeakPolarHBondContact OD2-CE 3.35Å; D325-K347 IonicContact OD2-NZ 2.73Å; D325-K347 PolarHBondContact OD2-NZ 2.92Å |
| 348 | N | 80.5 | Confident | 64.6 | Low | 40 Ų | 40 | 71 Ų | 71 | 21% | 0.214 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121.2 | 164.3 | -168.2 | -13.4 | 0 | 0 | 0 | 109.3 | Y246 E350 S351 | Y246-N348 HydrophobicContact CE1-CB 3.83Å; Y246-N348 HydrophobicContact CE2-CB 3.97Å; Y246-N348 WeakPolarHBondContact O-CA 3.38Å; Y246-N348 PolarHBondContact O-OD1 2.97Å; N348-E350 VanDerWaalsContact C-N 3.3Å; N348-E350 WeakPolarHBondContact OD1-CB 3.37Å; N348-E350 PolarHBondContact OD1-N 2.88Å; N348-S351 PolarHBondContact O-OG 3.29Å |
| 349 | V | 78.3 | Confident | 62.5 | Low | 43 Ų | 43 | 69.4 Ų | 69.4 | 26% | 0.261 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -79 | -15 | 178.6 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | M245 Y246 L252 S352 | M245-V349 HydrophobicContact CB-CG2 3.99Å; M245-V349 HydrophobicContact CE-CG2 3.62Å; Y246-V349 PolarHBondContact O-N 3.34Å; L252-V349 HydrophobicContact CD1-CG2 3.8Å; V349-S352 PolarHBondContact O-OG 3.04Å |
| 350 | E | 67.7 | Low | 60.4 | Low | 106 Ų | 106 | 68.2 Ų | 68.2 | 50% | 0.495 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -26 | 177.3 | -60.5 | -175.8 | 157.2 | 0 | 0 | 113 | R247 G248 N348 S352 | R247-E350 HydrophobicContact CG-CG 3.68Å; R247-E350 VanDerWaalsContact CG-OE1 3.22Å; R247-E350 WeakPolarHBondContact CG-OE1 3.17Å; R247-E350 IonicContact NE-OE1 3.58Å; G248-E350 PolarHBondContact N-OE1 2.87Å; N348-E350 VanDerWaalsContact C-N 3.3Å; N348-E350 WeakPolarHBondContact OD1-CB 3.37Å; N348-E350 PolarHBondContact OD1-N 2.88Å; E350-S352 VanDerWaalsContact C-N 3.3Å; E350-S352 PolarHBondContact O-N 2.65Å |
| 351 | S | 57.2 | Low | 57.9 | Low | 87 Ų | 87 | 76.6 Ų | 76.6 | 61% | 0.608 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -10.4 | -178.7 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | N348 R353 | N348-S351 PolarHBondContact O-OG 3.29Å; S351-R353 PolarHBondContact O-N 3.26Å |
| 352 | S | 52.4 | Low | 55.4 | Low | 35 Ų | 35 | 78.7 Ų | 78.7 | 25% | 0.245 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -75 | 93.9 | 172.2 | 57.9 | 0 | 0 | 0 | 0 | 109.6 | V349 E350 S354 | V349-S352 PolarHBondContact O-OG 3.04Å; E350-S352 VanDerWaalsContact C-N 3.3Å; E350-S352 PolarHBondContact O-N 2.65Å; S352-S354 PolarHBondContact O-N 3.31Å |
| 353 | R | 38.8 | Very low | 52.5 | Low | 233 Ų | 233 | 84 Ų | 84 | 88% | 0.879 | 44% | 0.438 | S | S | * | . | trans | -53.8 | 124.5 | 170.6 | -75 | -176.4 | 176.1 | -157 | -0.7 | 109.7 | S351 | S351-R353 PolarHBondContact O-N 3.26Š| ||
| 354 | S | 36.4 | Very low | 49.4 | Very low | 106 Ų | 106 | 87.7 Ų | 87.7 | 74% | 0.741 | 46% | 0.457 | S | S | * | . | trans | 46.2 | 87.1 | 164.1 | 61.1 | 0 | 0 | 0 | 0 | 115.9 | S352 P356 | S352-S354 PolarHBondContact O-N 3.31Å; S354-P356 VanDerWaalsContact O-CD 3.29Å; S354-P356 WeakPolarHBondContact O-CD 3.06Å | ||
| 355 | I | 34.5 | Very low | 46.5 | Very low | 68 Ų | 68 | 90.8 Ų | 90.8 | 35% | 0.349 | 48% | 0.477 | S | S | . | . | trans | -75.8 | 116.1 | 158.4 | -59.8 | 167.5 | 0 | 0 | 0 | 106.9 | V357 L362 | I355-V357 PolarHBondContact O-N 2.95Å; I355-L362 HydrophobicContact CD1-CD1 3.84Å; I355-L362 HydrophobicContact CD1-CD2 3.66Å; I355-L362 HydrophobicContact CD1-CG 4.41Å; I355-L362 HydrophobicContact CG2-CD1 4.1Å; I355-L362 HydrophobicContact CG2-CD2 4.23Å | ||
| 356 | P | 27.1 | Very low | 43.6 | Very low | 98 Ų | 98 | 96.6 Ų | 96.6 | 64% | 0.636 | 51% | 0.507 | S | S | * | . | trans | -68.2 | 128.8 | 170.9 | -10 | 26.7 | 0 | 0 | 0 | 108.3 | S354 Y358 | S354-P356 VanDerWaalsContact O-CD 3.29Å; S354-P356 WeakPolarHBondContact O-CD 3.06Å; P356-Y358 PolarHBondContact O-N 2.58Å | ||
| 357 | V | 30.3 | Very low | 40.6 | Very low | 120 Ų | 120 | 102 Ų | 102 | 73% | 0.727 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 18.9 | -174.6 | 178.7 | 0 | 0 | 0 | 0 | 113.8 | I355 | I355-V357 PolarHBondContact O-N 2.95Š|
| 358 | Y | 26.4 | Very low | 37.8 | Very low | 222 Ų | 222 | 110.2 Ų | 110.2 | 87% | 0.871 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | 9.6 | -178.2 | -68.3 | -70.7 | 0 | 0 | 0 | 115.3 | P356 P360 | P356-Y358 PolarHBondContact O-N 2.58Å; Y358-P360 WeakPolarHBondContact O-CD 3.11Å |
| 359 | S | 25.3 | Very low | 35 | Very low | 65 Ų | 65 | 111.7 Ų | 111.7 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | trans | -97.2 | 111.4 | 163.4 | -174.6 | 0 | 0 | 0 | 0 | 110.3 | R361 L362 | S359-R361 PolarHBondContact O-N 2.94Å; S359-L362 PolarHBondContact O-N 3.04Å; S359-L362 VanDerWaalsContact O-N 3.16Å | ||
| 360 | P | 27.4 | Very low | 32.4 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 73% | 0.734 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -5.3 | 179.9 | 23.2 | -31.8 | 0 | 0 | 0 | 114.1 | Y358 | Y358-P360 WeakPolarHBondContact O-CD 3.11Š|
| 361 | R | 25.7 | Very low | 30.2 | Very low | 196 Ų | 196 | 121.7 Ų | 121.7 | 74% | 0.74 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -16 | 174.7 | -74 | -174.4 | 173.5 | -178.5 | -3.1 | 114.5 | S359 | S359-R361 PolarHBondContact O-N 2.94Š|
| 362 | L | 29.8 | Very low | 28.7 | Very low | 43 Ų | 43 | 121.8 Ų | 121.8 | 23% | 0.225 | 64% | 0.64 | C | S | . | * | S | Bend | trans | -104.3 | -1.4 | -179.4 | -135.5 | 128.5 | 0 | 0 | 0 | 114 | I355 S359 L364 T365 | I355-L362 HydrophobicContact CD1-CD1 3.84Å; I355-L362 HydrophobicContact CD1-CD2 3.66Å; I355-L362 HydrophobicContact CD1-CG 4.41Å; I355-L362 HydrophobicContact CG2-CD1 4.1Å; I355-L362 HydrophobicContact CG2-CD2 4.23Å; S359-L362 PolarHBondContact O-N 3.04Å; S359-L362 VanDerWaalsContact O-N 3.16Å; L362-L364 PolarHBondContact O-N 2.83Å; L362-T365 HydrophobicContact CD2-CG2 3.91Å; L362-T365 PolarHBondContact O-N 2.97Å; L362-T365 VanDerWaalsContact O-N 3.11Å; L362-T365 PolarHBondContact O-OG1 2.93Å |
| 363 | L | 25.1 | Very low | 27.5 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 64% | 0.644 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 17.9 | 175.4 | -97.7 | 164.5 | 0 | 0 | 0 | 114.6 | ||
| 364 | L | 24.9 | Very low | 26.7 | Very low | 77 Ų | 77 | 114.1 Ų | 114.1 | 40% | 0.403 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.1 | 1.9 | 164.8 | -54.5 | -173.9 | 0 | 0 | 0 | 112.5 | L362 L366 V372 V373 | L362-L364 PolarHBondContact O-N 2.83Å; L364-L366 PolarHBondContact O-N 2.74Å; L364-V372 HydrophobicContact CD1-CG1 3.93Å; L364-V372 HydrophobicContact CD2-CB 3.82Å; L364-V372 HydrophobicContact CD2-CG1 3.99Å; L364-V372 WeakPolarHBondContact CD2-O 2.96Å; L364-V373 HydrophobicContact CD1-CB 4.12Å |
| 365 | T | 28.6 | Very low | 26.2 | Very low | 79 Ų | 79 | 112.6 Ų | 112.6 | 49% | 0.485 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -73.1 | 108.9 | 165.9 | 35.6 | 0 | 0 | 0 | 0 | 111.1 | L362 N367 | L362-T365 HydrophobicContact CD2-CG2 3.91Å; L362-T365 PolarHBondContact O-N 2.97Å; L362-T365 VanDerWaalsContact O-N 3.11Å; L362-T365 PolarHBondContact O-OG1 2.93Å; T365-N367 PolarHBondContact O-N 2.99Å |
| 366 | L | 28.7 | Very low | 25.7 | Very low | 122 Ų | 122 | 111.9 Ų | 111.9 | 64% | 0.639 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 51.9 | 59.1 | 140.7 | -67.3 | 158 | 0 | 0 | 0 | 114.4 | L364 | L364-L366 PolarHBondContact O-N 2.74Š|
| 367 | N | 23 | Very low | 25.6 | Very low | 152 Ų | 152 | 110.5 Ų | 110.5 | 81% | 0.813 | 60% | 0.597 | S | S | * | * | trans | -143 | 145.3 | 160 | -106.6 | -28.9 | 0 | 0 | 0 | 113.4 | T365 | T365-N367 PolarHBondContact O-N 2.99Š| ||
| 368 | Q | 25.3 | Very low | 25.2 | Very low | 187 Ų | 187 | 112 Ų | 112 | 87% | 0.874 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -49.5 | 133 | -169.3 | -60.6 | 169.5 | 6.9 | 0 | 0 | 112.5 | ||
| 369 | G | 23.3 | Very low | 25 | Very low | 70 Ų | 70 | 104.5 Ų | 104.5 | 72% | 0.722 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 75.7 | 104.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 370 | R | 22 | Very low | 24.9 | Very low | 246 Ų | 246 | 107.7 Ų | 107.7 | 93% | 0.928 | 59% | 0.59 | S | S | * | * | S | Bend | trans | 84.6 | 104.8 | 157.8 | -55.8 | -177.7 | 171.9 | -176.5 | -2.5 | 116.9 | ||
| 371 | S | 23.1 | Very low | 24.7 | Very low | 114 Ų | 114 | 108.9 Ų | 108.9 | 80% | 0.797 | 59% | 0.589 | S | S | * | * | trans | 61 | 98 | 141.1 | -156.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 372 | V | 24.2 | Very low | 24.7 | Very low | 88 Ų | 88 | 105.6 Ų | 105.6 | 53% | 0.533 | 59% | 0.587 | S | S | . | * | S | Bend | -178.8 | 121.8 | 109.2 | 163.9 | 0 | 0 | 0 | 0 | 105.3 | L364 G374 | L364-V372 HydrophobicContact CD1-CG1 3.93Å; L364-V372 HydrophobicContact CD2-CB 3.82Å; L364-V372 HydrophobicContact CD2-CG1 3.99Å; L364-V372 WeakPolarHBondContact CD2-O 2.96Å; V372-G374 PolarHBondContact O-N 3.24Å | |
| 373 | V | 27.5 | Very low | 24.5 | Very low | 64 Ų | 64 | 114.6 Ų | 114.6 | 39% | 0.388 | 62% | 0.617 | S | S | . | * | trans | 41.5 | 61 | 176.1 | -164.9 | 0 | 0 | 0 | 0 | 114.5 | F255 L364 F375 | F255-V373 HydrophobicContact CD1-CB 4.1Å; F255-V373 HydrophobicContact CD1-CG1 3.56Å; F255-V373 HydrophobicContact CD1-CG2 4.31Å; F255-V373 HydrophobicContact CE1-CG1 4.09Å; F255-V373 HydrophobicContact CE1-CG2 4.31Å; L364-V373 HydrophobicContact CD1-CB 4.12Å; V373-F375 PolarHBondContact O-N 2.84Å | ||
| 374 | G | 22.9 | Very low | 24.8 | Very low | 44 Ų | 44 | 118.7 Ų | 118.7 | 45% | 0.454 | 63% | 0.63 | S | S | . | * | trans | -75.3 | 115.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F255 V372 S376 | F255-G374 WeakPolarHBondContact CA-O 3.36Å; F255-G374 WeakPolarHBondContact CB-O 3.42Å; V372-G374 PolarHBondContact O-N 3.24Å; G374-S376 PolarHBondContact O-N 3.4Å; G374-S376 VanDerWaalsContact O-N 3.16Å | ||
| 375 | F | 24.4 | Very low | 25 | Very low | 73 Ų | 73 | 120.5 Ų | 120.5 | 32% | 0.32 | 64% | 0.644 | S | S | . | * | trans | -63.3 | 113 | 166.8 | -72.2 | -106.5 | 0 | 0 | 0 | 108.4 | L252 H253 L321 V373 | L252-F375 HydrophobicContact CB-CD1 3.92Å; L252-F375 HydrophobicContact CB-CE1 4.33Å; H253-F375 WeakPolarHBondContact O-CA 3.24Å; H253-F375 WeakPolarHBondContact O-CB 3.09Å; H253-F375 WeakPolarHBondContact O-CD1 3.27Å; H253-F375 VanDerWaalsContact O-CG 3.27Å; H253-F375 WeakPolarHBondContact O-CG 3.49Å; L321-F375 HydrophobicContact CD2-CZ 4.41Å; V373-F375 PolarHBondContact O-N 2.84Å | ||
| 376 | S | 24.6 | Very low | 25 | Very low | 53 Ų | 53 | 126.6 Ų | 126.6 | 37% | 0.371 | 66% | 0.664 | S | S | . | * | trans | -84.6 | 121.9 | 175.5 | 118.5 | 0 | 0 | 0 | 0 | 108.4 | D257 G374 Q378 | D257-S376 PolarHBondContact OD1-OG 2.99Å; G374-S376 PolarHBondContact O-N 3.4Å; G374-S376 VanDerWaalsContact O-N 3.16Å; S376-Q378 PolarHBondContact O-N 2.86Å | ||
| 377 | V | 24.5 | Very low | 25.1 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 42% | 0.418 | 67% | 0.671 | S | S | . | * | trans | -91.7 | 84 | 178.8 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | K250 V379 | K250-V377 HydrophobicContact CD-CG1 3.63Å; V377-V379 HydrophobicContact CG1-CG2 3.98Å; V377-V379 PolarHBondContact O-N 3.04Å | ||
| 378 | Q | 22.1 | Very low | 25.4 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 71% | 0.71 | 67% | 0.67 | S | S | * | * | trans | -87.5 | 101.2 | 171.1 | -140.5 | 179.4 | 11.2 | 0 | 0 | 110.2 | S376 V380 | S376-Q378 PolarHBondContact O-N 2.86Å; Q378-V380 PolarHBondContact O-N 3.46Å | ||
| 379 | V | 23.5 | Very low | 25.6 | Very low | 65 Ų | 65 | 122.2 Ų | 122.2 | 39% | 0.394 | 66% | 0.664 | S | S | . | * | trans | -76.9 | 100.5 | 173.1 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | K250 V377 L381 | K250-V379 HydrophobicContact CD-CG2 4.07Å; K250-V379 VanDerWaalsContact CE-CG2 3.46Å; V377-V379 HydrophobicContact CG1-CG2 3.98Å; V377-V379 PolarHBondContact O-N 3.04Å; V379-L381 HydrophobicContact CG1-CB 3.81Å; V379-L381 HydrophobicContact CG1-CD1 3.37Å; V379-L381 HydrophobicContact CG1-CG 3.3Å; V379-L381 PolarHBondContact O-N 3.23Å | ||
| 380 | V | 22.7 | Very low | 25.9 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 79% | 0.794 | 67% | 0.67 | S | S | * | * | trans | -79.1 | 74.7 | 160.1 | -173.4 | 0 | 0 | 0 | 0 | 107.6 | Q378 | Q378-V380 PolarHBondContact O-N 3.46Š| ||
| 381 | L | 23.2 | Very low | 26.3 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 73% | 0.728 | 67% | 0.666 | S | S | * | * | trans | -84.6 | 112 | 158.5 | -83 | 165.3 | 0 | 0 | 0 | 105.8 | V379 R383 | V379-L381 HydrophobicContact CG1-CB 3.81Å; V379-L381 HydrophobicContact CG1-CD1 3.37Å; V379-L381 HydrophobicContact CG1-CG 3.3Å; V379-L381 PolarHBondContact O-N 3.23Å; L381-R383 PolarHBondContact O-N 2.98Å | ||
| 382 | N | 24.8 | Very low | 26.8 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 68% | 0.679 | 66% | 0.658 | S | S | * | * | trans | -57.8 | 102.6 | 169.8 | -113.7 | -15 | 0 | 0 | 0 | 108.2 | K384 | N382-K384 PolarHBondContact O-N 3.49Š| ||
| 383 | R | 25.7 | Very low | 27 | Very low | 231 Ų | 231 | 123.6 Ų | 123.6 | 87% | 0.872 | 67% | 0.665 | S | S | * | * | trans | -69.4 | 112.6 | 166.8 | -84.8 | -177.2 | 173.9 | 176.8 | -1.3 | 107 | L381 T385 | L381-R383 PolarHBondContact O-N 2.98Å; R383-T385 PolarHBondContact O-N 3.47Å; R383-T385 VanDerWaalsContact O-N 3.15Å | ||
| 384 | K | 30.9 | Very low | 27.3 | Very low | 210 Ų | 210 | 128.2 Ų | 128.2 | 91% | 0.913 | 68% | 0.682 | S | S | * | * | trans | -64.8 | 110 | 149.4 | -99.7 | -178.2 | 176.4 | 176.2 | 0 | 106.7 | N382 K386 | N382-K384 PolarHBondContact O-N 3.49Å; K384-K386 PolarHBondContact O-N 3.21Å | ||
| 385 | T | 30.6 | Very low | 27.7 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | trans | -50 | 123.1 | 161.2 | 25.1 | 0 | 0 | 0 | 0 | 108.5 | R383 E387 | R383-T385 PolarHBondContact O-N 3.47Å; R383-T385 VanDerWaalsContact O-N 3.15Å; T385-E387 PolarHBondContact O-N 2.8Å | ||
| 386 | K | 28.5 | Very low | 28 | Very low | 208 Ų | 208 | 141 Ų | 141 | 90% | 0.904 | 72% | 0.722 | S | S | * | * | trans | -63.2 | 87 | 155.5 | -92.6 | -179.7 | 168.6 | 178.9 | 0 | 106.5 | K384 T388 | K384-K386 PolarHBondContact O-N 3.21Å; K386-T388 VanDerWaalsContact C-N 3.33Å; K386-T388 PolarHBondContact O-N 3.36Å | ||
| 387 | E | 30.8 | Very low | 28.3 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -84.4 | 93.9 | 156 | -81.6 | -172.4 | 167.8 | 0 | 0 | 107.5 | T385 | T385-E387 PolarHBondContact O-N 2.8Š| ||
| 388 | T | 29.6 | Very low | 28.6 | Very low | 128 Ų | 128 | 149.9 Ų | 149.9 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | 5.2 | 130.1 | 142.4 | 47.9 | 0 | 0 | 0 | 0 | 116.8 | K386 | K386-T388 VanDerWaalsContact C-N 3.33Å; K386-T388 PolarHBondContact O-N 3.36Å | ||
| 389 | G | 27.9 | Very low | 29.6 | Very low | 72 Ų | 72 | 152.3 Ų | 152.3 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -54 | 150.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 390 | R | 30.6 | Very low | 29.9 | Very low | 224 Ų | 224 | 156.7 Ų | 156.7 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -128.7 | 90.1 | 146.5 | -128.1 | 175.9 | -177.1 | 167.6 | 1 | 107.5 | N392 | R390-N392 PolarHBondContact O-N 3.24Š| ||
| 391 | V | 30.8 | Very low | 30.3 | Very low | 140 Ų | 140 | 158.1 Ų | 158.1 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -61.8 | 94.8 | 156 | 175.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 392 | N | 32.4 | Very low | 30.7 | Very low | 118 Ų | 118 | 159.1 Ų | 159.1 | 63% | 0.631 | 81% | 0.809 | S | S | * | * | trans | -105.1 | 81.7 | 158.7 | -85.7 | -3.3 | 0 | 0 | 0 | 106.6 | R390 Q394 | R390-N392 PolarHBondContact O-N 3.24Å; N392-Q394 PolarHBondContact O-N 2.74Å | ||
| 393 | G | 28.6 | Very low | 31 | Very low | 65 Ų | 65 | 161 Ų | 161 | 67% | 0.67 | 82% | 0.817 | S | S | * | * | trans | -62 | 113.6 | 151.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 394 | Q | 34.5 | Very low | 31.4 | Very low | 161 Ų | 161 | 156.6 Ų | 156.6 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -132.8 | 75.8 | 161.5 | -139 | 124.5 | -7.3 | 0 | 0 | 108.3 | N392 R396 | N392-Q394 PolarHBondContact O-N 2.74Å; Q394-R396 PolarHBondContact O-N 3.02Å | ||
| 395 | Q | 30.3 | Very low | 31.4 | Very low | 195 Ų | 195 | 153.1 Ų | 153.1 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -70.8 | 99.6 | 157 | -167.8 | 170.6 | 9.5 | 0 | 0 | 107.5 | ||||
| 396 | R | 31.3 | Very low | 31.4 | Very low | 189 Ų | 189 | 155.9 Ų | 155.9 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | trans | -166.5 | 137.8 | 163.4 | -80.2 | -159.4 | 176.6 | 177.1 | -1.1 | 106.4 | Q394 | Q394-R396 PolarHBondContact O-N 3.02Š| ||
| 397 | R | 31.4 | Very low | 31.7 | Very low | 172 Ų | 172 | 151.8 Ų | 151.8 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | cis | -169.1 | 147.1 | 1.1 | -104.6 | 178.7 | -168.9 | 179.7 | -2.8 | 105.3 | ||||
| 398 | D | 30.8 | Very low | 31.7 | Very low | 138 Ų | 138 | 150.4 Ų | 150.4 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | trans | 37.8 | 108.8 | 135.5 | -44.9 | -29.1 | 0 | 0 | 0 | 118.8 | ||||
| 399 | S | 42.5 | Very low | 31.9 | Very low | 203 Ų | 203 | 152.5 Ų | 152.5 | 100% | 1.42 | 81% | 0.811 | S | S | * | * | -175 | 0 | 127.8 | -67.3 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 399 of 399 residues in 226.1 ms
(Link to these results)