| 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 | 30.6 | Very low | 63.9 | Low | 229 Ų | 229 | 109.6 Ų | 109.6 | 100% | 1.128 | 58% | 0.575 | S | S | * | * | 0 | 116.2 | 0 | -67.4 | -53.9 | -178.4 | 0 | 0 | 108.4 | |||||
| 2 | P | 30.3 | Very low | 66.3 | Low | 116 Ų | 116 | 105.8 Ų | 105.8 | 75% | 0.753 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 153.5 | 171 | -16 | 31.2 | 0 | 0 | 0 | 110.8 | ||
| 3 | P | 40.8 | Very low | 68.3 | Low | 124 Ų | 124 | 106.2 Ų | 106.2 | 81% | 0.805 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 153.8 | 172.8 | 30.3 | -35.1 | 0 | 0 | 0 | 111 | S5 | P3-S5 PolarHBondContact O-N 3.42Š|
| 4 | W | 46.3 | Very low | 70 | Confident | 238 Ų | 238 | 100.1 Ų | 100.1 | 90% | 0.902 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 135.9 | 175.6 | -58.6 | -35.6 | 0 | 0 | 0 | 111.1 | K6 | W4-K6 PolarHBondContact O-N 3.33Š|
| 5 | S | 53.2 | Low | 71.5 | Confident | 94 Ų | 94 | 93.4 Ų | 93.4 | 66% | 0.657 | 49% | 0.488 | S | S | * | . | trans | -67.5 | 92.4 | -175.1 | 50.9 | 0 | 0 | 0 | 0 | 111 | P3 L7 | P3-S5 PolarHBondContact O-N 3.42Å; S5-L7 PolarHBondContact O-N 3.12Å | ||
| 6 | K | 66.6 | Low | 72.7 | Confident | 195 Ų | 195 | 92.1 Ų | 92.1 | 85% | 0.848 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 128.3 | 166.2 | -71.9 | -171.8 | 175.3 | -172.3 | 0 | 108.8 | W4 | W4-K6 PolarHBondContact O-N 3.33Š|
| 7 | L | 77.6 | Confident | 73.7 | Confident | 27 Ų | 27 | 88.9 Ų | 88.9 | 14% | 0.141 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 147 | 159 | -64.3 | -174.1 | 0 | 0 | 0 | 108.7 | S5 R29 H31 S56 D57 | S5-L7 PolarHBondContact O-N 3.12Å; L7-R29 HydrophobicContact CD2-CB 3.63Å; L7-H31 VanDerWaalsContact CD1-CE1 3.48Å; L7-H31 WeakPolarHBondContact CD1-CE1 3.48Å; L7-H31 VanDerWaalsContact CD1-ND1 3.32Å; L7-H31 WeakPolarHBondContact CD1-ND1 3.32Å; L7-S56 WeakPolarHBondContact CD1-O 3.21Å; L7-D57 WeakPolarHBondContact CB-O 3.5Å |
| 8 | T | 84.4 | Confident | 74.6 | Confident | 109 Ų | 109 | 87.4 Ų | 87.4 | 67% | 0.669 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -83.1 | 126.7 | 166.4 | -52 | 0 | 0 | 0 | 0 | 107.3 | W10 | T8-W10 VanDerWaalsContact O-CD1 3.26Å; T8-W10 PolarHBondContact O-N 2.87Å |
| 9 | P | 89.3 | Confident | 75 | Confident | 51 Ų | 51 | 86.7 Ų | 86.7 | 33% | 0.331 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 134.7 | 174.5 | 26.9 | -33.7 | 0 | 0 | 0 | 110.2 | D57 E59 | P9-D57 WeakPolarHBondContact CA-OD2 3.34Å; P9-E59 HydrophobicContact CB-CB 4.34Å; P9-E59 HydrophobicContact CB-CG 4.15Å; P9-E59 WeakPolarHBondContact CB-OE2 3.43Å |
| 10 | W | 91.9 | Very high | 75.1 | Confident | 23 Ų | 23 | 86.2 Ų | 86.2 | 9% | 0.087 | 48% | 0.475 | C | S | . | . | trans | -142.5 | -20 | -174 | 60 | -103.8 | 0 | 0 | 0 | 113.7 | T8 E12 N13 L14 L28 R29 A30 D57 I62 L93 L113 | T8-W10 VanDerWaalsContact O-CD1 3.26Å; T8-W10 PolarHBondContact O-N 2.87Å; W10-E12 VanDerWaalsContact C-N 3.34Å; W10-E12 PolarHBondContact O-N 3.07Å; W10-N13 PolarHBondContact O-N 3.44Å; W10-L14 HydrophobicContact CE3-CB 4.2Å; W10-L14 HydrophobicContact CE3-CD2 3.88Å; W10-L14 HydrophobicContact CZ3-CD2 3.7Å; W10-L14 WeakPolarHBondContact O-CB 3.5Å; W10-L14 PolarHBondContact O-N 3.25Å; W10-L28 HydrophobicContact CB-CD2 4.18Å; W10-L28 HydrophobicContact CD2-CB 4.35Å; W10-L28 HydrophobicContact CD2-CD1 3.88Å; W10-L28 HydrophobicContact CD2-CD2 4.06Å; W10-L28 HydrophobicContact CD2-CG 4.32Å; W10-L28 HydrophobicContact CE3-CD1 3.65Å; W10-L28 HydrophobicContact CE3-CD2 4.46Å; W10-L28 HydrophobicContact CG-CD2 3.91Å; W10-L28 HydrophobicContact CH2-CD1 4.15Å; W10-L28 HydrophobicContact CZ2-CB 4.31Å; W10-L28 HydrophobicContact CZ2-CD1 4.32Å; W10-L28 HydrophobicContact CZ3-CD1 3.8Å; W10-R29 PolarHBondContact NE1-O 3.04Å; W10-A30 HydrophobicContact CZ2-CB 4.22Å; W10-D57 HydrophobicContact CG-CB 4.35Å; W10-D57 PolarHBondContact N-OD2 2.87Å; W10-I62 HydrophobicContact CH2-CG2 4.07Å; W10-L93 HydrophobicContact CH2-CD1 4.11Å; W10-L93 HydrophobicContact CZ2-CD1 4.09Å; W10-L113 HydrophobicContact CH2-CD1 3.64Å; W10-L113 HydrophobicContact CZ3-CD1 4Å | ||
| 11 | I | 92.3 | Very high | 74.5 | Confident | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | -172.6 | -73.4 | 168.5 | 0 | 0 | 0 | 111.5 | I15 D57 L60 I62 C133 | I11-I15 HydrophobicContact CG2-CD1 4.01Å; I11-I15 WeakPolarHBondContact O-CB 3.48Å; I11-I15 WeakPolarHBondContact O-CD1 3.49Å; I11-I15 VanDerWaalsContact O-CG1 3.26Å; I11-I15 WeakPolarHBondContact O-CG1 3.46Å; I11-I15 PolarHBondContact O-N 3.38Å; I11-I15 VanDerWaalsContact O-N 3.17Å; I11-D57 WeakPolarHBondContact CB-OD2 3.46Å; I11-D57 HydrophobicContact CD1-CB 3.88Å; I11-D57 HydrophobicContact CG1-CB 4.1Å; I11-D57 WeakPolarHBondContact CG1-OD2 3.42Å; I11-D57 PolarHBondContact N-OD2 2.83Å; I11-L60 HydrophobicContact CB-CB 4.17Å; I11-L60 HydrophobicContact CB-CD1 4.5Å; I11-L60 HydrophobicContact CD1-CB 4.31Å; I11-L60 VanDerWaalsContact CD1-O 3.26Å; I11-L60 WeakPolarHBondContact CD1-O 3.22Å; I11-L60 HydrophobicContact CG2-CB 4Å; I11-L60 HydrophobicContact CG2-CD1 4.2Å; I11-I62 HydrophobicContact CD1-CB 4.12Å; I11-I62 HydrophobicContact CD1-CG2 3.79Å; I11-I62 HydrophobicContact CG1-CB 4.31Å; I11-I62 HydrophobicContact CG1-CG2 3.95Å; I11-I62 HydrophobicContact CG2-CB 3.97Å; I11-I62 HydrophobicContact CG2-CD1 4.39Å; I11-C133 HydrophobicContact CG2-CB 3.7Å |
| 12 | E | 92.5 | Very high | 75.7 | Confident | 64 Ų | 64 | 80 Ų | 80 | 30% | 0.299 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.1 | -50.3 | 177 | 178.8 | 147.4 | -117.5 | 0 | 0 | 111.7 | W10 L14 I15 L16 L60 S136 V139 | W10-E12 VanDerWaalsContact C-N 3.34Å; W10-E12 PolarHBondContact O-N 3.07Å; E12-L14 PolarHBondContact O-N 3.46Å; E12-I15 PolarHBondContact O-N 2.82Å; E12-L16 HydrophobicContact CG-CD1 3.74Å; E12-L16 HydrophobicContact CG-CG 4.25Å; E12-L16 WeakPolarHBondContact O-CB 3.38Å; E12-L16 VanDerWaalsContact O-CG 3.29Å; E12-L16 WeakPolarHBondContact O-CG 3.37Å; E12-L16 PolarHBondContact O-N 3.49Å; E12-L60 HydrophobicContact CB-CD1 3.85Å; E12-S136 VanDerWaalsContact OE1-CB 3.23Å; E12-S136 WeakPolarHBondContact OE1-CB 3.34Å; E12-S136 PolarHBondContact OE1-OG 3.29Å; E12-V139 HydrophobicContact CG-CG2 4.32Å |
| 13 | N | 91.6 | Very high | 77.1 | Confident | 111 Ų | 111 | 78.7 Ų | 78.7 | 59% | 0.594 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.7 | -43 | -178.5 | -69.5 | -30.6 | 0 | 0 | 0 | 112.2 | W10 I15 L16 S17 | W10-N13 PolarHBondContact O-N 3.44Å; N13-I15 PolarHBondContact O-N 3.41Å; N13-L16 PolarHBondContact O-N 3.19Å; N13-S17 PolarHBondContact O-N 2.88Å; N13-S17 PolarHBondContact O-OG 3.14Å |
| 14 | L | 92.5 | Very high | 77.6 | Confident | 20 Ų | 20 | 76.6 Ų | 76.6 | 11% | 0.105 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 177.3 | -172.1 | 71.9 | 0 | 0 | 0 | 112.2 | W10 E12 S17 Y18 L28 Y96 L98 L113 | W10-L14 HydrophobicContact CE3-CB 4.2Å; W10-L14 HydrophobicContact CE3-CD2 3.88Å; W10-L14 HydrophobicContact CZ3-CD2 3.7Å; W10-L14 WeakPolarHBondContact O-CB 3.5Å; W10-L14 PolarHBondContact O-N 3.25Å; E12-L14 PolarHBondContact O-N 3.46Å; L14-S17 PolarHBondContact O-OG 2.8Å; L14-Y18 PolarHBondContact O-N 2.92Å; L14-L28 HydrophobicContact CD2-CD1 3.98Å; L14-Y96 HydrophobicContact CD1-CE2 4.21Å; L14-Y96 HydrophobicContact CD2-CE2 4.09Å; L14-L98 HydrophobicContact CG-CD2 4.22Å; L14-L98 VanDerWaalsContact O-CD2 3.27Å; L14-L98 WeakPolarHBondContact O-CD2 3.47Å; L14-L113 HydrophobicContact CD2-CD2 4.02Å |
| 15 | I | 92.5 | Very high | 78.3 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -67.4 | -41.9 | 173.3 | -70.8 | 168.3 | 0 | 0 | 0 | 110.5 | I11 E12 N13 Y18 I62 L98 F111 C133 V139 K142 | I11-I15 HydrophobicContact CG2-CD1 4.01Å; I11-I15 WeakPolarHBondContact O-CB 3.48Å; I11-I15 WeakPolarHBondContact O-CD1 3.49Å; I11-I15 VanDerWaalsContact O-CG1 3.26Å; I11-I15 WeakPolarHBondContact O-CG1 3.46Å; I11-I15 PolarHBondContact O-N 3.38Å; I11-I15 VanDerWaalsContact O-N 3.17Å; E12-I15 PolarHBondContact O-N 2.82Å; N13-I15 PolarHBondContact O-N 3.41Å; I15-Y18 VanDerWaalsContact O-CB 3.27Å; I15-Y18 WeakPolarHBondContact O-CB 3.28Å; I15-Y18 PolarHBondContact O-N 2.64Å; I15-I62 HydrophobicContact CD1-CD1 4.08Å; I15-I62 HydrophobicContact CG1-CD1 4.36Å; I15-L98 HydrophobicContact CG1-CD2 4.16Å; I15-F111 HydrophobicContact CD1-CB 4.14Å; I15-F111 HydrophobicContact CG1-CB 4.06Å; I15-F111 HydrophobicContact CG1-CD2 4.35Å; I15-F111 HydrophobicContact CG1-CG 4.17Å; I15-F111 HydrophobicContact CG2-CD2 3.53Å; I15-F111 HydrophobicContact CG2-CE2 3.71Å; I15-F111 HydrophobicContact CG2-CG 4.11Å; I15-F111 HydrophobicContact CG2-CZ 4.42Å; I15-C133 HydrophobicContact CD1-CB 3.88Å; I15-V139 HydrophobicContact CB-CG2 4.43Å; I15-V139 HydrophobicContact CD1-CG1 4.06Å; I15-V139 HydrophobicContact CD1-CG2 4.16Å; I15-V139 HydrophobicContact CG2-CG1 4.17Å; I15-V139 HydrophobicContact CG2-CG2 4.19Å; I15-K142 HydrophobicContact CG2-CB 4.22Å; I15-K142 HydrophobicContact CG2-CG 3.96Å; I15-K142 WeakPolarHBondContact O-CE 3.49Å; I15-K142 WeakPolarHBondContact O-CG 3.39Å |
| 16 | L | 91.4 | Very high | 79.2 | Confident | 72 Ų | 72 | 67.3 Ų | 67.3 | 38% | 0.377 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68 | -33.8 | -179.8 | -68.2 | 176.5 | 0 | 0 | 0 | 112.8 | E12 N13 Y18 A138 K142 | E12-L16 HydrophobicContact CG-CD1 3.74Å; E12-L16 HydrophobicContact CG-CG 4.25Å; E12-L16 WeakPolarHBondContact O-CB 3.38Å; E12-L16 VanDerWaalsContact O-CG 3.29Å; E12-L16 WeakPolarHBondContact O-CG 3.37Å; E12-L16 PolarHBondContact O-N 3.49Å; N13-L16 PolarHBondContact O-N 3.19Å; L16-Y18 VanDerWaalsContact C-N 3.32Å; L16-Y18 PolarHBondContact O-N 3.47Å; L16-A138 HydrophobicContact CD1-CB 4.31Å; L16-A138 HydrophobicContact CD2-CB 4.11Å; L16-K142 HydrophobicContact CD2-CB 4.15Å; L16-K142 PolarHBondContact O-NZ 3.33Å |
| 17 | S | 89.9 | Confident | 80.2 | Confident | 38 Ų | 38 | 63.9 Ų | 63.9 | 27% | 0.266 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -76.1 | -11.4 | 173.5 | 67 | 0 | 0 | 0 | 0 | 114.4 | N13 L14 G19 S20 | N13-S17 PolarHBondContact O-N 2.88Å; N13-S17 PolarHBondContact O-OG 3.14Å; L14-S17 PolarHBondContact O-OG 2.8Å; S17-G19 PolarHBondContact O-N 2.87Å; S17-S20 WeakPolarHBondContact O-CB 3.44Å; S17-S20 PolarHBondContact O-N 2.96Å; S17-S20 PolarHBondContact O-OG 2.77Å |
| 18 | Y | 89.5 | Confident | 80.8 | Confident | 63 Ų | 63 | 63.2 Ų | 63.2 | 25% | 0.247 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 118.9 | -178.2 | -178.1 | -103.3 | 0 | 0 | 0 | 113 | L14 I15 L16 L98 F100 F111 K142 T146 | L14-Y18 PolarHBondContact O-N 2.92Å; I15-Y18 VanDerWaalsContact O-CB 3.27Å; I15-Y18 WeakPolarHBondContact O-CB 3.28Å; I15-Y18 PolarHBondContact O-N 2.64Å; L16-Y18 VanDerWaalsContact C-N 3.32Å; L16-Y18 PolarHBondContact O-N 3.47Å; Y18-L98 HydrophobicContact CD2-CB 4.18Å; Y18-L98 HydrophobicContact CD2-CD2 3.82Å; Y18-L98 HydrophobicContact CD2-CG 4Å; Y18-L98 WeakPolarHBondContact CE2-O 3.27Å; Y18-L98 HydrophobicContact CG-CD2 4.21Å; Y18-F100 HydrophobicContact CE1-CB 4.28Å; Y18-F111 AromaticContact CD1-CE1 3.47Å; Y18-F111 HydrophobicContact CD1-CE1 3.47Å; Y18-F111 VanDerWaalsContact CD1-CE1 3.47Å; Y18-F111 AromaticContact CD1-CZ 3.84Å; Y18-F111 HydrophobicContact CD1-CZ 3.84Å; Y18-F111 AromaticContact CD2-CE1 4Å; Y18-F111 HydrophobicContact CD2-CE1 4Å; Y18-F111 AromaticContact CE1-CE1 3.85Å; Y18-F111 HydrophobicContact CE1-CE1 3.85Å; Y18-F111 HydrophobicContact CE1-CZ 4.4Å; Y18-F111 HydrophobicContact CE2-CE1 4.35Å; Y18-F111 HydrophobicContact CG-CD1 4.43Å; Y18-F111 AromaticContact CG-CE1 3.53Å; Y18-F111 HydrophobicContact CG-CE1 3.53Å; Y18-F111 HydrophobicContact CG-CZ 4.15Å; Y18-K142 WeakPolarHBondContact O-CE 3.47Å; Y18-K142 PolarHBondContact O-NZ 3.24Å; Y18-T146 HydrophobicContact CD1-CG2 4.18Å; Y18-T146 HydrophobicContact CE1-CG2 3.8Å |
| 19 | G | 81.8 | Confident | 81.1 | Confident | 73 Ų | 73 | 64.2 Ų | 64.2 | 75% | 0.753 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 3.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | S17 G21 | S17-G19 PolarHBondContact O-N 2.87Å; G19-G21 VanDerWaalsContact C-N 3.35Å |
| 20 | S | 77.9 | Confident | 81.2 | Confident | 76 Ų | 76 | 61.8 Ų | 61.8 | 53% | 0.531 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -86.5 | 2.8 | 176.2 | 74 | 0 | 0 | 0 | 0 | 114.9 | S17 D22 | S17-S20 WeakPolarHBondContact O-CB 3.44Å; S17-S20 PolarHBondContact O-N 2.96Å; S17-S20 PolarHBondContact O-OG 2.77Å; S20-D22 PolarHBondContact O-N 3.13Å |
| 21 | G | 62.1 | Low | 81.1 | Confident | 74 Ų | 74 | 62.1 Ų | 62.1 | 76% | 0.763 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 84.7 | -30.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | G19 E23 | G19-G21 VanDerWaalsContact C-N 3.35Å; G21-E23 PolarHBondContact O-N 2.95Å |
| 22 | D | 56.1 | Low | 81 | Confident | 113 Ų | 113 | 62.1 Ų | 62.1 | 60% | 0.604 | 38% | 0.379 | S | S | * | . | trans | -74.9 | 67.3 | 172.2 | -89.8 | -54.4 | 0 | 0 | 0 | 112.7 | S20 S24 | S20-D22 PolarHBondContact O-N 3.13Å; D22-S24 PolarHBondContact O-N 3.33Å; D22-S24 PolarHBondContact OD1-OG 2.97Å | ||
| 23 | E | 58.7 | Low | 80.7 | Confident | 88 Ų | 88 | 60.7 Ų | 60.7 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | trans | -88.1 | 49.1 | 154.4 | -66.2 | -159.4 | 113.7 | 0 | 0 | 109.6 | G21 G25 R97 L98 | G21-E23 PolarHBondContact O-N 2.95Å; E23-G25 PolarHBondContact O-N 2.77Å; E23-R97 IonicContact OE2-NE 2.64Å; E23-L98 PolarHBondContact OE1-N 2.97Å | ||
| 24 | S | 50.7 | Low | 80.3 | Confident | 79 Ų | 79 | 56.1 Ų | 56.1 | 55% | 0.552 | 35% | 0.352 | S | S | * | . | trans | -69.1 | 112.2 | 178.2 | 20.7 | 0 | 0 | 0 | 0 | 110.2 | D22 S26 | D22-S24 PolarHBondContact O-N 3.33Å; D22-S24 PolarHBondContact OD1-OG 2.97Å; S24-S26 PolarHBondContact O-N 2.84Å | ||
| 25 | G | 60.8 | Low | 80 | Confident | 69 Ų | 69 | 57 Ų | 57 | 71% | 0.711 | 36% | 0.358 | S | S | * | . | trans | -68.4 | 75.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | E23 | E23-G25 PolarHBondContact O-N 2.77Š| ||
| 26 | S | 74.1 | Confident | 79.3 | Confident | 68 Ų | 68 | 58 Ų | 58 | 48% | 0.476 | 37% | 0.369 | S | S | . | . | trans | -78.5 | 131 | 167.8 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | S24 L28 Y96 | S24-S26 PolarHBondContact O-N 2.84Å; S26-L28 WeakPolarHBondContact O-CG 3.15Å; S26-L28 PolarHBondContact O-N 3Å; S26-Y96 WeakPolarHBondContact O-CE1 3.41Å; S26-Y96 PolarHBondContact O-OH 3.29Å | ||
| 27 | Q | 86.3 | Confident | 78.2 | Confident | 123 Ų | 123 | 63.4 Ų | 63.4 | 58% | 0.575 | 39% | 0.392 | S | S | * | . | trans | -57.6 | 104.7 | 174.3 | -176.6 | -174.8 | 6.6 | 0 | 0 | 111.3 | C92 L93 | Q27-C92 HydrophobicContact CG-CB 4.14Å; Q27-C92 PolarHBondContact NE2-SG 2.74Å; Q27-C92 VanDerWaalsContact NE2-SG 3.41Å; Q27-L93 WeakPolarHBondContact CA-O 3.37Å | ||
| 28 | L | 90.4 | Very high | 77 | Confident | 14 Ų | 14 | 64.2 Ų | 64.2 | 7% | 0.073 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 143.5 | -179.1 | -58.9 | 177 | 0 | 0 | 0 | 110.3 | W10 L14 S26 C92 L93 Y96 | W10-L28 HydrophobicContact CB-CD2 4.18Å; W10-L28 HydrophobicContact CD2-CB 4.35Å; W10-L28 HydrophobicContact CD2-CD1 3.88Å; W10-L28 HydrophobicContact CD2-CD2 4.06Å; W10-L28 HydrophobicContact CD2-CG 4.32Å; W10-L28 HydrophobicContact CE3-CD1 3.65Å; W10-L28 HydrophobicContact CE3-CD2 4.46Å; W10-L28 HydrophobicContact CG-CD2 3.91Å; W10-L28 HydrophobicContact CH2-CD1 4.15Å; W10-L28 HydrophobicContact CZ2-CB 4.31Å; W10-L28 HydrophobicContact CZ2-CD1 4.32Å; W10-L28 HydrophobicContact CZ3-CD1 3.8Å; L14-L28 HydrophobicContact CD2-CD1 3.98Å; S26-L28 WeakPolarHBondContact O-CG 3.15Å; S26-L28 PolarHBondContact O-N 3Å; L28-C92 CarbonylContact O-C 3.55Å; L28-C92 WeakPolarHBondContact O-CA 3.48Å; L28-L93 HydrophobicContact CB-CB 4.17Å; L28-L93 HydrophobicContact CB-CD1 3.92Å; L28-L93 HydrophobicContact CD1-CD1 4.28Å; L28-L93 PolarHBondContact N-O 3.1Å; L28-L93 PolarHBondContact O-N 3.35Å; L28-Y96 HydrophobicContact CB-CE1 4.5Å; L28-Y96 HydrophobicContact CD1-CD1 4.27Å; L28-Y96 HydrophobicContact CD1-CD2 4.05Å; L28-Y96 HydrophobicContact CD1-CE1 3.74Å; L28-Y96 HydrophobicContact CD1-CE2 3.51Å; L28-Y96 HydrophobicContact CD1-CG 4.41Å; L28-Y96 HydrophobicContact CG-CD1 4.5Å; L28-Y96 HydrophobicContact CG-CE1 3.74Å; L28-Y96 HydrophobicContact CG-CE2 4.34Å |
| 29 | R | 90.7 | Very high | 75.5 | Confident | 129 Ų | 129 | 65 Ų | 65 | 49% | 0.487 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 137.6 | 175.4 | -75.1 | -174.3 | -73.8 | 175.3 | -3.9 | 111.7 | L7 W10 V91 | L7-R29 HydrophobicContact CD2-CB 3.63Å; W10-R29 PolarHBondContact NE1-O 3.04Å; R29-V91 WeakPolarHBondContact CA-O 3.23Å |
| 30 | A | 91.4 | Very high | 74 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 163.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | W10 L55 S56 T90 V91 | W10-A30 HydrophobicContact CZ2-CB 4.22Å; A30-L55 HydrophobicContact CB-CB 3.95Å; A30-L55 HydrophobicContact CB-CD2 4.43Å; A30-S56 CarbonylContact C-O 3.56Å; A30-S56 VanDerWaalsContact CA-O 3.25Å; A30-S56 WeakPolarHBondContact CA-O 3.42Å; A30-T90 CarbonylContact O-C 3.58Å; A30-T90 WeakPolarHBondContact O-CA 3.46Å; A30-V91 HydrophobicContact CB-CG2 4.21Å; A30-V91 PolarHBondContact N-O 2.91Å; A30-V91 PolarHBondContact O-N 3.34Å |
| 31 | H | 89.9 | Confident | 72.8 | Confident | 31 Ų | 31 | 71.3 Ų | 71.3 | 14% | 0.144 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 138 | 160.2 | -58.7 | 102.9 | 0 | 0 | 0 | 109.6 | L7 I33 L55 S56 T89 V126 | L7-H31 VanDerWaalsContact CD1-CE1 3.48Å; L7-H31 WeakPolarHBondContact CD1-CE1 3.48Å; L7-H31 VanDerWaalsContact CD1-ND1 3.32Å; L7-H31 WeakPolarHBondContact CD1-ND1 3.32Å; H31-I33 HydrophobicContact CB-CG2 4.1Å; H31-I33 PolarHBondContact O-N 3.26Å; H31-L55 WeakPolarHBondContact O-CA 3.31Å; H31-S56 PolarHBondContact N-O 3.11Å; H31-S56 PolarHBondContact O-N 2.81Å; H31-T89 WeakPolarHBondContact CA-O 3.44Å; H31-V126 HydrophobicContact CB-CG2 4.32Å |
| 32 | V | 89.9 | Confident | 72.4 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 103.1 | 169.9 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | V35 L53 L55 L86 N88 T89 V91 | V32-V35 HydrophobicContact CG1-CG2 3.63Å; V32-L53 HydrophobicContact CG1-CD2 4.26Å; V32-L55 HydrophobicContact CG2-CD2 3.75Å; V32-L86 WeakPolarHBondContact CB-O 3.26Å; V32-L86 HydrophobicContact CG1-CB 4.21Å; V32-L86 WeakPolarHBondContact CG1-O 3.34Å; V32-N88 WeakPolarHBondContact O-CA 3.23Å; V32-N88 PolarHBondContact O-N 2.89Å; V32-T89 PolarHBondContact N-O 2.88Å; V32-V91 HydrophobicContact CG2-CB 4.39Å; V32-V91 HydrophobicContact CG2-CG1 3.61Å; V32-V91 HydrophobicContact CG2-CG2 3.81Å |
| 33 | I | 86.6 | Confident | 72.2 | Confident | 34 Ų | 34 | 69.6 Ų | 69.6 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 5 | -176.1 | 64.8 | 161.9 | 0 | 0 | 0 | 113.2 | H31 F54 K61 V126 | H31-I33 HydrophobicContact CB-CG2 4.1Å; H31-I33 PolarHBondContact O-N 3.26Å; I33-F54 HydrophobicContact CG1-CB 4Å; I33-F54 WeakPolarHBondContact CG1-O 3.33Å; I33-F54 PolarHBondContact N-O 3.38Å; I33-K61 HydrophobicContact CD1-CB 3.73Å; I33-K61 HydrophobicContact CD1-CD 3.44Å; I33-K61 VanDerWaalsContact CD1-CD 3.44Å; I33-K61 HydrophobicContact CD1-CG 4.21Å; I33-V126 HydrophobicContact CB-CG1 4.3Å; I33-V126 HydrophobicContact CG2-CG1 3.61Å |
| 34 | G | 84 | Confident | 71.6 | Confident | 14 Ų | 14 | 76.8 Ų | 76.8 | 14% | 0.144 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 147.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F54 | G34-F54 PolarHBondContact O-N 2.84Å |
| 35 | V | 84.9 | Confident | 71.2 | Confident | 38 Ų | 38 | 75.7 Ų | 75.7 | 23% | 0.23 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 135.8 | -179.2 | 175.7 | 0 | 0 | 0 | 0 | 107.6 | V32 L52 L53 F83 L86 L87 | V32-V35 HydrophobicContact CG1-CG2 3.63Å; V35-L52 CarbonylContact C-O 3.56Å; V35-L52 WeakPolarHBondContact CA-O 3.47Å; V35-L53 HydrophobicContact CG1-CD2 4.43Å; V35-L53 HydrophobicContact CG2-CD2 3.85Å; V35-F83 HydrophobicContact CG1-CD1 3.35Å; V35-F83 HydrophobicContact CG1-CE1 3.38Å; V35-F83 HydrophobicContact CG1-CG 4.2Å; V35-F83 HydrophobicContact CG1-CZ 4.25Å; V35-L86 HydrophobicContact CG2-CB 4.19Å; V35-L87 HydrophobicContact CB-CD2 3.89Å; V35-L87 HydrophobicContact CB-CG 3.98Å; V35-L87 HydrophobicContact CG2-CD2 3.67Å; V35-L87 HydrophobicContact CG2-CG 3.67Å |
| 36 | G | 78.4 | Confident | 70.3 | Confident | 23 Ų | 23 | 79.1 Ų | 79.1 | 24% | 0.237 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 149.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L52 | G36-L52 PolarHBondContact N-O 2.98Å; G36-L52 PolarHBondContact O-N 2.85Å |
| 37 | Q | 67.6 | Low | 69.4 | Low | 184 Ų | 184 | 79.2 Ų | 79.2 | 86% | 0.86 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -84.3 | 139.4 | 174.8 | -63.3 | 178 | 2.4 | 0 | 0 | 109.8 | ||
| 38 | M | 65.1 | Low | 67.9 | Low | 56 Ų | 56 | 74.4 Ų | 74.4 | 28% | 0.276 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 149.3 | 167.5 | -81.7 | -168.2 | 161.6 | 0 | 0 | 110.4 | Q42 P49 L52 V65 | M38-Q42 HydrophobicContact SD-CB 4.49Å; M38-P49 HydrophobicContact SD-CB 3.72Å; M38-P49 HydrophobicContact SD-CG 3.66Å; M38-L52 HydrophobicContact CE-CD1 4.27Å; M38-V65 HydrophobicContact CE-CG1 4.15Å; M38-V65 HydrophobicContact CE-CG2 3.67Å; M38-V65 HydrophobicContact SD-CG1 4.18Å |
| 39 | T | 57.5 | Low | 66.5 | Low | 78 Ų | 78 | 75.2 Ų | 75.2 | 48% | 0.479 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 147.4 | 173.5 | 52 | 0 | 0 | 0 | 0 | 110.5 | S41 Q42 | T39-S41 PolarHBondContact O-N 2.89Å; T39-S41 PolarHBondContact OG1-OG 2.66Å; T39-Q42 WeakPolarHBondContact O-CB 3.25Å; T39-Q42 PolarHBondContact O-N 2.91Å; T39-Q42 VanDerWaalsContact OG1-CD 3.31Å; T39-Q42 WeakPolarHBondContact OG1-CG 3.5Å; T39-Q42 PolarHBondContact OG1-OE1 3.15Å |
| 40 | Q | 51.6 | Low | 65.5 | Low | 188 Ų | 188 | 71.4 Ų | 71.4 | 88% | 0.879 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -25.3 | -173.9 | -164 | 178.8 | 34 | 0 | 0 | 113.9 | Q42 A43 | Q40-Q42 VanDerWaalsContact C-N 3.34Å; Q40-A43 PolarHBondContact O-N 3.23Å |
| 41 | S | 51.5 | Low | 64.8 | Low | 94 Ų | 94 | 71.4 Ų | 71.4 | 66% | 0.657 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -23.6 | 174.3 | 48.7 | 0 | 0 | 0 | 0 | 114.3 | T39 | T39-S41 PolarHBondContact O-N 2.89Å; T39-S41 PolarHBondContact OG1-OG 2.66Å |
| 42 | Q | 54.8 | Low | 64.6 | Low | 118 Ų | 118 | 71.8 Ų | 71.8 | 55% | 0.551 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -19.4 | 175.5 | -63.2 | 172.4 | -23.1 | 0 | 0 | 112.2 | M38 T39 Q40 R44 | M38-Q42 HydrophobicContact SD-CB 4.49Å; T39-Q42 WeakPolarHBondContact O-CB 3.25Å; T39-Q42 PolarHBondContact O-N 2.91Å; T39-Q42 VanDerWaalsContact OG1-CD 3.31Å; T39-Q42 WeakPolarHBondContact OG1-CG 3.5Å; T39-Q42 PolarHBondContact OG1-OE1 3.15Å; Q40-Q42 VanDerWaalsContact C-N 3.34Å; Q42-R44 VanDerWaalsContact C-N 3.3Å; Q42-R44 PolarHBondContact O-N 3.01Å |
| 43 | A | 52.1 | Low | 64.5 | Low | 33 Ų | 33 | 71.8 Ų | 71.8 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | trans | -87.7 | 33.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q40 G45 P49 | Q40-A43 PolarHBondContact O-N 3.23Å; A43-G45 PolarHBondContact O-N 3.42Å; A43-G45 VanDerWaalsContact O-N 3.11Å; A43-P49 HydrophobicContact CB-CG 3.98Å | ||
| 44 | R | 44.9 | Very low | 64.7 | Low | 240 Ų | 240 | 73.9 Ų | 73.9 | 91% | 0.906 | 41% | 0.414 | S | S | * | . | trans | -79.8 | 92.1 | -179.4 | -78.5 | -170.5 | 167.6 | -156.3 | -2.6 | 112.4 | Q42 | Q42-R44 VanDerWaalsContact C-N 3.3Å; Q42-R44 PolarHBondContact O-N 3.01Å | ||
| 45 | G | 43.4 | Very low | 65 | Low | 56 Ų | 56 | 73.2 Ų | 73.2 | 58% | 0.577 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -172 | 165.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A43 D47 | A43-G45 PolarHBondContact O-N 3.42Å; A43-G45 VanDerWaalsContact O-N 3.11Å; G45-D47 VanDerWaalsContact C-N 3.27Å; G45-D47 PolarHBondContact O-N 3.23Å |
| 46 | S | 41 | Very low | 65.3 | Low | 140 Ų | 140 | 71.6 Ų | 71.6 | 98% | 0.979 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -75.9 | -12.6 | 179.9 | 52.9 | 0 | 0 | 0 | 0 | 114.5 | ||
| 47 | D | 55.2 | Low | 65.9 | Low | 71 Ų | 71 | 70.6 Ų | 70.6 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -130.5 | 81.8 | 171 | -177.7 | 5.7 | 0 | 0 | 0 | 106.6 | G45 A68 S69 | G45-D47 VanDerWaalsContact C-N 3.27Å; G45-D47 PolarHBondContact O-N 3.23Å; D47-A68 WeakPolarHBondContact OD1-CB 3.49Å; D47-A68 PolarHBondContact OD1-N 2.97Å; D47-S69 VanDerWaalsContact CG-OG 3.32Å; D47-S69 PolarHBondContact OD1-N 2.64Å; D47-S69 VanDerWaalsContact OD1-N 3.08Å; D47-S69 PolarHBondContact OD1-OG 2.88Å; D47-S69 WeakPolarHBondContact OD2-CB 3.38Å; D47-S69 PolarHBondContact OD2-OG 3.34Å |
| 48 | G | 55.9 | Low | 66.6 | Low | 21 Ų | 21 | 63 Ų | 63 | 22% | 0.216 | 36% | 0.358 | C | S | . | . | trans | -68.4 | 148 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T50 T67 A68 | G48-T50 PolarHBondContact O-N 3.17Å; G48-T67 CarbonylContact O-C 3.53Å; G48-A68 WeakPolarHBondContact O-CB 3.48Å; G48-A68 PolarHBondContact O-N 3.5Å | ||
| 49 | P | 61.2 | Low | 67.6 | Low | 31 Ų | 31 | 66.2 Ų | 66.2 | 20% | 0.201 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 120.1 | 175.8 | 29.3 | -36.1 | 0 | 0 | 0 | 111.6 | M38 A43 V65 L66 | M38-P49 HydrophobicContact SD-CB 3.72Å; M38-P49 HydrophobicContact SD-CG 3.66Å; A43-P49 HydrophobicContact CB-CG 3.98Å; P49-V65 HydrophobicContact CB-CG1 3.29Å; P49-V65 HydrophobicContact CG-CG1 4.45Å; P49-L66 CarbonylContact C-O 3.59Å; P49-L66 WeakPolarHBondContact CA-O 3.38Å |
| 50 | T | 68.4 | Low | 69.1 | Low | 50 Ų | 50 | 63.6 Ų | 63.6 | 31% | 0.307 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | -40.5 | 175.5 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | G48 L66 T67 A68 W71 F83 | G48-T50 PolarHBondContact O-N 3.17Å; T50-L66 PolarHBondContact N-O 3.4Å; T50-T67 PolarHBondContact OG1-O 2.92Å; T50-A68 WeakPolarHBondContact OG1-CA 3.42Å; T50-W71 HydrophobicContact CG2-CB 3.96Å; T50-W71 HydrophobicContact CG2-CD2 4.39Å; T50-W71 HydrophobicContact CG2-CG 3.73Å; T50-W71 WeakPolarHBondContact OG1-CB 3.42Å; T50-F83 HydrophobicContact CG2-CD2 4.28Å; T50-F83 HydrophobicContact CG2-CE2 4.44Å |
| 51 | G | 76.7 | Confident | 70.9 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.3 | 174.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L66 | G51-L66 PolarHBondContact O-N 3.01Å; G51-L66 VanDerWaalsContact O-N 3.17Å |
| 52 | L | 85.9 | Confident | 72.8 | Confident | 39 Ų | 39 | 53.2 Ų | 53.2 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.8 | -179 | -172.1 | 74.4 | 0 | 0 | 0 | 109.6 | V35 G36 M38 F54 P63 A64 V65 | V35-L52 CarbonylContact C-O 3.56Å; V35-L52 WeakPolarHBondContact CA-O 3.47Å; G36-L52 PolarHBondContact N-O 2.98Å; G36-L52 PolarHBondContact O-N 2.85Å; M38-L52 HydrophobicContact CE-CD1 4.27Å; L52-F54 HydrophobicContact CD2-CE1 4.37Å; L52-F54 HydrophobicContact CD2-CE2 3.72Å; L52-F54 HydrophobicContact CD2-CZ 3.54Å; L52-F54 HydrophobicContact CG-CE2 4.27Å; L52-F54 HydrophobicContact CG-CZ 4.32Å; L52-P63 HydrophobicContact CD1-CB 4.25Å; L52-A64 WeakPolarHBondContact CA-O 3.37Å; L52-A64 WeakPolarHBondContact CD1-O 3.46Å; L52-V65 HydrophobicContact CD1-CG2 4.03Å |
| 53 | L | 88.8 | Confident | 74.5 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 148.2 | 168.8 | -57.3 | 178.1 | 0 | 0 | 0 | 109.1 | V32 V35 L55 A64 L66 F83 L86 L118 | V32-L53 HydrophobicContact CG1-CD2 4.26Å; V35-L53 HydrophobicContact CG1-CD2 4.43Å; V35-L53 HydrophobicContact CG2-CD2 3.85Å; L53-L55 HydrophobicContact CB-CD2 4.05Å; L53-L55 HydrophobicContact CB-CG 4.38Å; L53-L55 HydrophobicContact CD1-CD2 4.41Å; L53-A64 HydrophobicContact CB-CB 4.31Å; L53-A64 PolarHBondContact N-O 2.63Å; L53-A64 PolarHBondContact O-N 3.06Å; L53-L66 HydrophobicContact CD1-CB 4.44Å; L53-F83 HydrophobicContact CD2-CE1 4.22Å; L53-F83 HydrophobicContact CD2-CE2 3.93Å; L53-F83 HydrophobicContact CD2-CZ 3.52Å; L53-F83 HydrophobicContact CG-CZ 4.09Å; L53-L86 HydrophobicContact CD1-CD1 4.27Å; L53-L86 HydrophobicContact CD2-CD1 3.81Å; L53-L118 HydrophobicContact CD1-CD2 4.22Å |
| 54 | F | 89.7 | Confident | 76.3 | Confident | 78 Ų | 78 | 46.7 Ų | 46.7 | 34% | 0.342 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 112.2 | 164.8 | -66.8 | -83.1 | 0 | 0 | 0 | 108.1 | I33 G34 L52 P63 | I33-F54 HydrophobicContact CG1-CB 4Å; I33-F54 WeakPolarHBondContact CG1-O 3.33Å; I33-F54 PolarHBondContact N-O 3.38Å; G34-F54 PolarHBondContact O-N 2.84Å; L52-F54 HydrophobicContact CD2-CE1 4.37Å; L52-F54 HydrophobicContact CD2-CE2 3.72Å; L52-F54 HydrophobicContact CD2-CZ 3.54Å; L52-F54 HydrophobicContact CG-CE2 4.27Å; L52-F54 HydrophobicContact CG-CZ 4.32Å; F54-P63 HydrophobicContact CD1-CB 4.49Å; F54-P63 HydrophobicContact CE1-CB 4.34Å |
| 55 | L | 91.3 | Very high | 78.4 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.9 | -175.6 | -58.8 | -175.2 | 0 | 0 | 0 | 109.8 | A30 H31 V32 L53 K61 I62 A64 V91 L93 L113 | A30-L55 HydrophobicContact CB-CB 3.95Å; A30-L55 HydrophobicContact CB-CD2 4.43Å; H31-L55 WeakPolarHBondContact O-CA 3.31Å; V32-L55 HydrophobicContact CG2-CD2 3.75Å; L53-L55 HydrophobicContact CB-CD2 4.05Å; L53-L55 HydrophobicContact CB-CG 4.38Å; L53-L55 HydrophobicContact CD1-CD2 4.41Å; L55-K61 CarbonylContact O-C 3.56Å; L55-K61 WeakPolarHBondContact O-CA 3.39Å; L55-I62 HydrophobicContact CB-CG2 4.21Å; L55-I62 PolarHBondContact N-O 2.94Å; L55-I62 PolarHBondContact O-N 2.9Å; L55-A64 HydrophobicContact CD1-CB 3.52Å; L55-A64 HydrophobicContact CG-CB 3.8Å; L55-V91 HydrophobicContact CD2-CG2 4.11Å; L55-L93 HydrophobicContact CD1-CD1 3.97Å; L55-L93 HydrophobicContact CD1-CD2 3.99Å; L55-L93 HydrophobicContact CD1-CG 4.4Å; L55-L113 HydrophobicContact CD1-CD1 4.3Å |
| 56 | S | 90.6 | Very high | 80.5 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.6 | 176 | 172 | 0 | 0 | 0 | 0 | 111 | L7 A30 H31 G58 L60 T130 | L7-S56 WeakPolarHBondContact CD1-O 3.21Å; A30-S56 CarbonylContact C-O 3.56Å; A30-S56 VanDerWaalsContact CA-O 3.25Å; A30-S56 WeakPolarHBondContact CA-O 3.42Å; H31-S56 PolarHBondContact N-O 3.11Å; H31-S56 PolarHBondContact O-N 2.81Å; S56-G58 VanDerWaalsContact C-N 3.27Å; S56-G58 PolarHBondContact OG-N 2.87Å; S56-L60 WeakPolarHBondContact CA-O 3.34Å; S56-T130 WeakPolarHBondContact OG-CG2 3.17Å; S56-T130 PolarHBondContact OG-OG1 2.61Å |
| 57 | D | 90.2 | Very high | 82.7 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | trans | -87.8 | 4.7 | 169.2 | 68.1 | 4.2 | 0 | 0 | 0 | 112.8 | L7 P9 W10 I11 E59 L60 | L7-D57 WeakPolarHBondContact CB-O 3.5Å; P9-D57 WeakPolarHBondContact CA-OD2 3.34Å; W10-D57 HydrophobicContact CG-CB 4.35Å; W10-D57 PolarHBondContact N-OD2 2.87Å; I11-D57 WeakPolarHBondContact CB-OD2 3.46Å; I11-D57 HydrophobicContact CD1-CB 3.88Å; I11-D57 HydrophobicContact CG1-CB 4.1Å; I11-D57 WeakPolarHBondContact CG1-OD2 3.42Å; I11-D57 PolarHBondContact N-OD2 2.83Å; D57-E59 PolarHBondContact OD1-N 2.67Å; D57-L60 PolarHBondContact N-O 2.85Å; D57-L60 PolarHBondContact OD1-N 3.18Å | ||
| 58 | G | 83.7 | Confident | 84.2 | Confident | 25 Ų | 25 | 25.1 Ų | 25.1 | 26% | 0.258 | 14% | 0.143 | S | C | . | . | S | Bend | trans | 98 | -19.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S56 | S56-G58 VanDerWaalsContact C-N 3.27Å; S56-G58 PolarHBondContact OG-N 2.87Å |
| 59 | E | 85.6 | Confident | 85.6 | Confident | 123 Ų | 123 | 25.9 Ų | 25.9 | 58% | 0.575 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -115 | -43.1 | 178.1 | -63.4 | -168.2 | 168.6 | 0 | 0 | 112.1 | P9 D57 P131 | P9-E59 HydrophobicContact CB-CB 4.34Å; P9-E59 HydrophobicContact CB-CG 4.15Å; P9-E59 WeakPolarHBondContact CB-OE2 3.43Å; D57-E59 PolarHBondContact OD1-N 2.67Å; E59-P131 VanDerWaalsContact O-CD 3.31Å; E59-P131 WeakPolarHBondContact O-CD 3.32Å; E59-P131 VanDerWaalsContact O-CG 3.31Å; E59-P131 WeakPolarHBondContact O-CG 3.48Å |
| 60 | L | 88.1 | Confident | 86.9 | Confident | 22 Ų | 22 | 24.4 Ų | 24.4 | 12% | 0.115 | 14% | 0.136 | C | C | . | . | trans | -124.5 | 162.8 | 177 | -62.3 | 177.8 | 0 | 0 | 0 | 111.2 | I11 E12 S56 D57 T130 P131 C133 | I11-L60 HydrophobicContact CB-CB 4.17Å; I11-L60 HydrophobicContact CB-CD1 4.5Å; I11-L60 HydrophobicContact CD1-CB 4.31Å; I11-L60 VanDerWaalsContact CD1-O 3.26Å; I11-L60 WeakPolarHBondContact CD1-O 3.22Å; I11-L60 HydrophobicContact CG2-CB 4Å; I11-L60 HydrophobicContact CG2-CD1 4.2Å; E12-L60 HydrophobicContact CB-CD1 3.85Å; S56-L60 WeakPolarHBondContact CA-O 3.34Å; D57-L60 PolarHBondContact N-O 2.85Å; D57-L60 PolarHBondContact OD1-N 3.18Å; L60-T130 WeakPolarHBondContact O-CG2 3.36Å; L60-P131 CarbonylContact C-O 3.5Å; L60-P131 WeakPolarHBondContact CA-O 3.4Å; L60-P131 HydrophobicContact CD2-CG 4.32Å; L60-C133 HydrophobicContact CD1-CB 4.46Å | ||
| 61 | K | 90.7 | Very high | 87.9 | Confident | 63 Ų | 63 | 23 Ų | 23 | 27% | 0.274 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.9 | 165.9 | 71.3 | -169.1 | 169.2 | -153.5 | 0 | 113 | I33 L55 T130 P131 C133 | I33-K61 HydrophobicContact CD1-CB 3.73Å; I33-K61 HydrophobicContact CD1-CD 3.44Å; I33-K61 VanDerWaalsContact CD1-CD 3.44Å; I33-K61 HydrophobicContact CD1-CG 4.21Å; L55-K61 CarbonylContact O-C 3.56Å; L55-K61 WeakPolarHBondContact O-CA 3.39Å; K61-T130 HydrophobicContact CB-CG2 4.15Å; K61-T130 WeakPolarHBondContact CD-O 3.44Å; K61-T130 WeakPolarHBondContact CE-O 3.24Å; K61-T130 PolarHBondContact NZ-O 3.34Å; K61-P131 WeakPolarHBondContact CG-O 3.15Å; K61-P131 PolarHBondContact N-O 3.27Å; K61-C133 PolarHBondContact O-N 3.04Å |
| 62 | I | 91.1 | Very high | 88.5 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139.6 | 177.8 | -164.8 | 174.3 | 0 | 0 | 0 | 109.8 | W10 I11 I15 L55 L98 L113 | W10-I62 HydrophobicContact CH2-CG2 4.07Å; I11-I62 HydrophobicContact CD1-CB 4.12Å; I11-I62 HydrophobicContact CD1-CG2 3.79Å; I11-I62 HydrophobicContact CG1-CB 4.31Å; I11-I62 HydrophobicContact CG1-CG2 3.95Å; I11-I62 HydrophobicContact CG2-CB 3.97Å; I11-I62 HydrophobicContact CG2-CD1 4.39Å; I15-I62 HydrophobicContact CD1-CD1 4.08Å; I15-I62 HydrophobicContact CG1-CD1 4.36Å; L55-I62 HydrophobicContact CB-CG2 4.21Å; L55-I62 PolarHBondContact N-O 2.94Å; L55-I62 PolarHBondContact O-N 2.9Å; I62-L98 HydrophobicContact CD1-CD1 3.95Å; I62-L113 HydrophobicContact CD1-CG 4.26Å; I62-L113 HydrophobicContact CG2-CD1 4.1Å |
| 63 | P | 90.5 | Very high | 88.5 | Confident | 15 Ų | 15 | 30.1 Ų | 30.1 | 10% | 0.097 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 140.2 | 167.9 | 28.6 | -33.4 | 0 | 0 | 0 | 110.4 | L52 F54 F112 L113 | L52-P63 HydrophobicContact CD1-CB 4.25Å; F54-P63 HydrophobicContact CD1-CB 4.49Å; F54-P63 HydrophobicContact CE1-CB 4.34Å; P63-F112 HydrophobicContact CB-CB 4.38Å; P63-F112 HydrophobicContact CG-CB 3.91Å; P63-F112 CarbonylContact O-C 3.5Å; P63-F112 WeakPolarHBondContact O-CA 3.43Å; P63-F112 WeakPolarHBondContact O-CB 3.33Å; P63-L113 PolarHBondContact O-N 2.72Å |
| 64 | A | 90.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 153.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L52 L53 L55 L113 V115 | L52-A64 WeakPolarHBondContact CA-O 3.37Å; L52-A64 WeakPolarHBondContact CD1-O 3.46Å; L53-A64 HydrophobicContact CB-CB 4.31Å; L53-A64 PolarHBondContact N-O 2.63Å; L53-A64 PolarHBondContact O-N 3.06Å; L55-A64 HydrophobicContact CD1-CB 3.52Å; L55-A64 HydrophobicContact CG-CB 3.8Å; A64-L113 CarbonylContact C-O 3.59Å; A64-L113 WeakPolarHBondContact CA-O 3.2Å; A64-L113 HydrophobicContact CB-CB 3.8Å; A64-V115 HydrophobicContact CB-CG2 4.14Å |
| 65 | V | 88.9 | Confident | 88.5 | Confident | 9 Ų | 9 | 29.9 Ų | 29.9 | 6% | 0.055 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 114.9 | -175.5 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | M38 P49 L52 F112 L113 V115 | M38-V65 HydrophobicContact CE-CG1 4.15Å; M38-V65 HydrophobicContact CE-CG2 3.67Å; M38-V65 HydrophobicContact SD-CG1 4.18Å; P49-V65 HydrophobicContact CB-CG1 3.29Å; P49-V65 HydrophobicContact CG-CG1 4.45Å; L52-V65 HydrophobicContact CD1-CG2 4.03Å; V65-F112 HydrophobicContact CG2-CD2 3.86Å; V65-F112 HydrophobicContact CG2-CE2 4.19Å; V65-L113 PolarHBondContact N-O 2.82Å; V65-V115 PolarHBondContact O-N 2.89Å |
| 66 | L | 87.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 132.8 | 177 | -167.7 | 66.5 | 0 | 0 | 0 | 109.2 | P49 T50 G51 L53 W71 F83 V115 L118 | P49-L66 CarbonylContact C-O 3.59Å; P49-L66 WeakPolarHBondContact CA-O 3.38Å; T50-L66 PolarHBondContact N-O 3.4Å; G51-L66 PolarHBondContact O-N 3.01Å; G51-L66 VanDerWaalsContact O-N 3.17Å; L53-L66 HydrophobicContact CD1-CB 4.44Å; L66-W71 HydrophobicContact CD2-CB 3.8Å; L66-W71 HydrophobicContact CD2-CD2 4.46Å; L66-W71 HydrophobicContact CD2-CE3 3.85Å; L66-W71 HydrophobicContact CD2-CG 4.49Å; L66-W71 HydrophobicContact CG-CB 4.29Å; L66-F83 HydrophobicContact CB-CE2 4.43Å; L66-F83 HydrophobicContact CD2-CE2 3.91Å; L66-V115 HydrophobicContact CD1-CB 3.82Å; L66-V115 HydrophobicContact CD1-CG1 3.66Å; L66-L118 HydrophobicContact CD1-CB 4.19Å |
| 67 | T | 87.8 | Confident | 88.1 | Confident | 19 Ų | 19 | 42.6 Ų | 42.6 | 12% | 0.117 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 174.9 | 175 | 56.5 | 0 | 0 | 0 | 0 | 112 | G48 T50 S69 G70 W71 V115 | G48-T67 CarbonylContact O-C 3.53Å; T50-T67 PolarHBondContact OG1-O 2.92Å; T67-S69 WeakPolarHBondContact CB-OG 3.43Å; T67-S69 PolarHBondContact OG1-OG 3.27Å; T67-G70 PolarHBondContact OG1-N 3.22Å; T67-W71 PolarHBondContact O-N 3.31Å; T67-V115 PolarHBondContact N-O 3.1Å; T67-V115 VanDerWaalsContact N-O 3.1Å; T67-V115 PolarHBondContact OG1-O 3.41Å |
| 68 | A | 84.9 | Confident | 88 | Confident | 25 Ų | 25 | 45.2 Ų | 45.2 | 21% | 0.207 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.2 | -51.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | D47 G48 T50 G70 W71 E72 | D47-A68 WeakPolarHBondContact OD1-CB 3.49Å; D47-A68 PolarHBondContact OD1-N 2.97Å; G48-A68 WeakPolarHBondContact O-CB 3.48Å; G48-A68 PolarHBondContact O-N 3.5Å; T50-A68 WeakPolarHBondContact OG1-CA 3.42Å; A68-G70 VanDerWaalsContact C-N 3.26Å; A68-G70 PolarHBondContact O-N 2.78Å; A68-G70 VanDerWaalsContact O-N 3.16Å; A68-W71 PolarHBondContact O-N 3.17Å; A68-E72 WeakPolarHBondContact O-CG 3.21Å; A68-E72 PolarHBondContact O-N 2.91Å |
| 69 | S | 87.1 | Confident | 87.9 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 27% | 0.266 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -51.2 | -38.4 | 175.9 | 55.8 | 0 | 0 | 0 | 0 | 114.8 | D47 T67 Q73 | D47-S69 VanDerWaalsContact CG-OG 3.32Å; D47-S69 PolarHBondContact OD1-N 2.64Å; D47-S69 VanDerWaalsContact OD1-N 3.08Å; D47-S69 PolarHBondContact OD1-OG 2.88Å; D47-S69 WeakPolarHBondContact OD2-CB 3.38Å; D47-S69 PolarHBondContact OD2-OG 3.34Å; T67-S69 WeakPolarHBondContact CB-OG 3.43Å; T67-S69 PolarHBondContact OG1-OG 3.27Å; S69-Q73 VanDerWaalsContact O-CG 3.3Å; S69-Q73 WeakPolarHBondContact O-CG 3.03Å; S69-Q73 PolarHBondContact O-N 3.31Å; S69-Q73 PolarHBondContact O-NE2 2.91Å; S69-Q73 VanDerWaalsContact O-NE2 3.07Å |
| 70 | G | 88.3 | Confident | 87.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -83.3 | -20.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T67 A68 G116 | T67-G70 PolarHBondContact OG1-N 3.22Å; A68-G70 VanDerWaalsContact C-N 3.26Å; A68-G70 PolarHBondContact O-N 2.78Å; A68-G70 VanDerWaalsContact O-N 3.16Å; G70-G116 WeakPolarHBondContact CA-O 3.39Å |
| 71 | W | 88.9 | Confident | 87.3 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 8% | 0.08 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -82 | -47.1 | 169.7 | 176.5 | -111.1 | 0 | 0 | 0 | 111.2 | T50 L66 T67 A68 Q73 L74 Q75 R80 F83 L86 | T50-W71 HydrophobicContact CG2-CB 3.96Å; T50-W71 HydrophobicContact CG2-CD2 4.39Å; T50-W71 HydrophobicContact CG2-CG 3.73Å; T50-W71 WeakPolarHBondContact OG1-CB 3.42Å; L66-W71 HydrophobicContact CD2-CB 3.8Å; L66-W71 HydrophobicContact CD2-CD2 4.46Å; L66-W71 HydrophobicContact CD2-CE3 3.85Å; L66-W71 HydrophobicContact CD2-CG 4.49Å; L66-W71 HydrophobicContact CG-CB 4.29Å; T67-W71 PolarHBondContact O-N 3.31Å; A68-W71 PolarHBondContact O-N 3.17Å; W71-Q73 VanDerWaalsContact C-N 3.33Å; W71-Q73 PolarHBondContact O-N 2.9Å; W71-L74 HydrophobicContact CE3-CD2 4.05Å; W71-L74 HydrophobicContact CZ3-CD2 3.83Å; W71-L74 CarbonylContact O-C 3.57Å; W71-L74 WeakPolarHBondContact O-CA 3.3Å; W71-L74 WeakPolarHBondContact O-CB 3.49Å; W71-L74 PolarHBondContact O-N 2.97Å; W71-Q75 HydrophobicContact CD2-CG 4.09Å; W71-Q75 HydrophobicContact CG-CG 4.4Å; W71-Q75 HydrophobicContact CH2-CG 4.43Å; W71-Q75 HydrophobicContact CZ2-CG 3.7Å; W71-Q75 WeakPolarHBondContact O-CG 3.31Å; W71-Q75 PolarHBondContact O-N 3.14Å; W71-R80 HydrophobicContact CH2-CB 4.08Å; W71-F83 HydrophobicContact CD2-CD2 4Å; W71-F83 AromaticContact CE3-CD2 3.66Å; W71-F83 HydrophobicContact CE3-CD2 3.66Å; W71-F83 HydrophobicContact CE3-CE2 4.23Å; W71-F83 VanDerWaalsContact CH2-CA 3.48Å; W71-F83 HydrophobicContact CH2-CB 4.3Å; W71-F83 HydrophobicContact CH2-CD2 4.33Å; W71-F83 HydrophobicContact CZ2-CB 4.26Å; W71-F83 AromaticContact CZ3-CD2 3.82Å; W71-F83 HydrophobicContact CZ3-CD2 3.82Å; W71-L86 HydrophobicContact CE3-CD1 4.36Å; W71-L86 HydrophobicContact CZ3-CD1 3.94Å; W71-L86 HydrophobicContact CZ3-CG 4.2Å |
| 72 | E | 88.2 | Confident | 86.8 | Confident | 124 Ų | 124 | 54.9 Ų | 54.9 | 58% | 0.579 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -54.9 | -46.8 | 178.8 | -72.3 | 172.9 | 178.4 | 0 | 0 | 111.7 | A68 L74 Q75 E76 | A68-E72 WeakPolarHBondContact O-CG 3.21Å; A68-E72 PolarHBondContact O-N 2.91Å; E72-L74 VanDerWaalsContact C-N 3.28Å; E72-L74 PolarHBondContact O-N 3.16Å; E72-Q75 PolarHBondContact O-N 3.23Å; E72-Q75 VanDerWaalsContact O-N 3.16Å; E72-E76 PolarHBondContact O-N 2.91Å |
| 73 | Q | 87.7 | Confident | 86.3 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.7 | -35.6 | 173 | -78.4 | 179.5 | 74.2 | 0 | 0 | 113.7 | S69 W71 K77 | S69-Q73 VanDerWaalsContact O-CG 3.3Å; S69-Q73 WeakPolarHBondContact O-CG 3.03Å; S69-Q73 PolarHBondContact O-N 3.31Å; S69-Q73 PolarHBondContact O-NE2 2.91Å; S69-Q73 VanDerWaalsContact O-NE2 3.07Å; W71-Q73 VanDerWaalsContact C-N 3.33Å; W71-Q73 PolarHBondContact O-N 2.9Å; Q73-K77 VanDerWaalsContact O-CB 3.23Å; Q73-K77 WeakPolarHBondContact O-CB 3.49Å; Q73-K77 WeakPolarHBondContact O-CD 3.24Å; Q73-K77 WeakPolarHBondContact O-CG 3.38Å; Q73-K77 PolarHBondContact O-N 3.35Å |
| 74 | L | 88.3 | Confident | 86 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.7 | -33.4 | 178.3 | -170.6 | 72.4 | 0 | 0 | 0 | 111.4 | W71 E72 E78 L86 L118 T120 | W71-L74 HydrophobicContact CE3-CD2 4.05Å; W71-L74 HydrophobicContact CZ3-CD2 3.83Å; W71-L74 CarbonylContact O-C 3.57Å; W71-L74 WeakPolarHBondContact O-CA 3.3Å; W71-L74 WeakPolarHBondContact O-CB 3.49Å; W71-L74 PolarHBondContact O-N 2.97Å; E72-L74 VanDerWaalsContact C-N 3.28Å; E72-L74 PolarHBondContact O-N 3.16Å; L74-E78 VanDerWaalsContact CD1-CD 3.49Å; L74-E78 HydrophobicContact CD1-CG 4Å; L74-E78 WeakPolarHBondContact CD1-OE1 3.31Å; L74-E78 WeakPolarHBondContact O-CB 3.31Å; L74-E78 PolarHBondContact O-N 3.07Å; L74-L86 HydrophobicContact CD2-CD1 4.48Å; L74-L86 HydrophobicContact CD2-CD2 3.82Å; L74-L118 WeakPolarHBondContact CD1-O 3.17Å; L74-L118 HydrophobicContact CD2-CD2 4.29Å; L74-T120 HydrophobicContact CD1-CG2 4.34Å; L74-T120 HydrophobicContact CD2-CG2 4.42Å |
| 75 | Q | 89.4 | Confident | 85.8 | Confident | 72 Ų | 72 | 61 Ų | 61 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 171.4 | -57.7 | -159.8 | -94.9 | 0 | 0 | 111 | W71 E72 D79 R80 | W71-Q75 HydrophobicContact CD2-CG 4.09Å; W71-Q75 HydrophobicContact CG-CG 4.4Å; W71-Q75 HydrophobicContact CH2-CG 4.43Å; W71-Q75 HydrophobicContact CZ2-CG 3.7Å; W71-Q75 WeakPolarHBondContact O-CG 3.31Å; W71-Q75 PolarHBondContact O-N 3.14Å; E72-Q75 PolarHBondContact O-N 3.23Å; E72-Q75 VanDerWaalsContact O-N 3.16Å; Q75-D79 VanDerWaalsContact O-CA 3.28Å; Q75-D79 WeakPolarHBondContact O-CA 3.47Å; Q75-D79 PolarHBondContact O-N 3.2Å; Q75-R80 WeakPolarHBondContact CG-O 3.41Å; Q75-R80 PolarHBondContact NE2-O 2.86Å |
| 76 | E | 88.2 | Confident | 85.7 | Confident | 160 Ų | 160 | 60.6 Ų | 60.6 | 75% | 0.748 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -70.5 | -37.6 | 177.2 | -173.7 | 178.9 | -144.8 | 0 | 0 | 113.1 | E72 | E72-E76 PolarHBondContact O-N 2.91Å |
| 77 | K | 86.3 | Confident | 85.7 | Confident | 110 Ų | 110 | 64.4 Ų | 64.4 | 48% | 0.478 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -81.2 | -22.7 | -178.2 | -71.3 | 165.7 | -176.8 | 165.9 | 0 | 114.2 | Q73 E117 | Q73-K77 VanDerWaalsContact O-CB 3.23Å; Q73-K77 WeakPolarHBondContact O-CB 3.49Å; Q73-K77 WeakPolarHBondContact O-CD 3.24Å; Q73-K77 WeakPolarHBondContact O-CG 3.38Å; Q73-K77 PolarHBondContact O-N 3.35Å; K77-E117 IonicContact NZ-OE1 2.88Å; K77-E117 PolarHBondContact NZ-OE1 2.86Å |
| 78 | E | 86.6 | Confident | 85.6 | Confident | 59 Ų | 59 | 67.4 Ų | 67.4 | 28% | 0.276 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -134.5 | 12.4 | -172.2 | -58.5 | -171.4 | -171.1 | 0 | 0 | 115 | L74 R80 T120 | L74-E78 VanDerWaalsContact CD1-CD 3.49Å; L74-E78 HydrophobicContact CD1-CG 4Å; L74-E78 WeakPolarHBondContact CD1-OE1 3.31Å; L74-E78 WeakPolarHBondContact O-CB 3.31Å; L74-E78 PolarHBondContact O-N 3.07Å; E78-R80 HydrophobicContact CB-CG 3.97Å; E78-R80 PolarHBondContact O-N 3.33Å; E78-R80 VanDerWaalsContact O-N 3.1Å; E78-R80 IonicContact OE2-CZ 3.8Å; E78-R80 IonicContact OE2-NE 3.43Å; E78-R80 PolarHBondContact OE2-NE 3.15Å; E78-R80 IonicContact OE2-NH2 2.64Å; E78-R80 PolarHBondContact OE2-NH2 2.91Å; E78-T120 VanDerWaalsContact CD-OG1 3.25Å; E78-T120 PolarHBondContact OE1-N 3.01Å; E78-T120 PolarHBondContact OE1-OG1 2.8Å; E78-T120 VanDerWaalsContact OE1-OG1 3.13Å; E78-T120 WeakPolarHBondContact OE2-CB 3.46Å; E78-T120 WeakPolarHBondContact OE2-CG2 3.35Å; E78-T120 PolarHBondContact OE2-OG1 2.81Å |
| 79 | D | 82.1 | Confident | 85.7 | Confident | 151 Ų | 151 | 66.9 Ų | 66.9 | 81% | 0.807 | 34% | 0.342 | S | S | * | . | trans | 51.9 | 30.3 | -178.7 | -67.2 | -50 | 0 | 0 | 0 | 114.2 | Q75 E81 | Q75-D79 VanDerWaalsContact O-CA 3.28Å; Q75-D79 WeakPolarHBondContact O-CA 3.47Å; Q75-D79 PolarHBondContact O-N 3.2Å; D79-E81 PolarHBondContact O-N 3.31Å | ||
| 80 | R | 81.6 | Confident | 85.8 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 16% | 0.158 | 33% | 0.333 | C | S | . | . | trans | -80 | 110 | -171.4 | -77.7 | -174.2 | -180 | -95.8 | -0.9 | 113.6 | W71 Q75 E78 S85 T120 | W71-R80 HydrophobicContact CH2-CB 4.08Å; Q75-R80 WeakPolarHBondContact CG-O 3.41Å; Q75-R80 PolarHBondContact NE2-O 2.86Å; E78-R80 HydrophobicContact CB-CG 3.97Å; E78-R80 PolarHBondContact O-N 3.33Å; E78-R80 VanDerWaalsContact O-N 3.1Å; E78-R80 IonicContact OE2-CZ 3.8Å; E78-R80 IonicContact OE2-NE 3.43Å; E78-R80 PolarHBondContact OE2-NE 3.15Å; E78-R80 IonicContact OE2-NH2 2.64Å; E78-R80 PolarHBondContact OE2-NH2 2.91Å; R80-S85 VanDerWaalsContact NH1-C 3.31Å; R80-S85 PolarHBondContact NH1-O 2.97Å; R80-S85 PolarHBondContact NH1-OG 3.5Å; R80-T120 PolarHBondContact NH2-OG1 3.38Å | ||
| 81 | E | 79.3 | Confident | 85.9 | Confident | 176 Ų | 176 | 65.7 Ų | 65.7 | 82% | 0.822 | 33% | 0.333 | S | S | * | . | trans | -70.4 | -33.1 | 177.2 | -59.1 | -175.1 | 152.4 | 0 | 0 | 114.8 | D79 | D79-E81 PolarHBondContact O-N 3.31Š| ||
| 82 | C | 80.3 | Confident | 86 | Confident | 66 Ų | 66 | 65 Ų | 65 | 45% | 0.446 | 33% | 0.331 | S | S | . | . | trans | -132.6 | 130.8 | -165.5 | -77.4 | 0 | 0 | 0 | 0 | 113.8 | S84 S85 | C82-S84 VanDerWaalsContact C-N 3.26Å; C82-S84 PolarHBondContact O-N 2.79Å; C82-S85 WeakPolarHBondContact O-CB 3.41Å; C82-S85 PolarHBondContact O-N 2.93Å; C82-S85 PolarHBondContact O-OG 3.44Å | ||
| 83 | F | 81.6 | Confident | 86.2 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 13% | 0.127 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -59.7 | -32.2 | 177.3 | -170.7 | -121.2 | 0 | 0 | 0 | 113.5 | V35 T50 L53 L66 W71 S85 L86 | V35-F83 HydrophobicContact CG1-CD1 3.35Å; V35-F83 HydrophobicContact CG1-CE1 3.38Å; V35-F83 HydrophobicContact CG1-CG 4.2Å; V35-F83 HydrophobicContact CG1-CZ 4.25Å; T50-F83 HydrophobicContact CG2-CD2 4.28Å; T50-F83 HydrophobicContact CG2-CE2 4.44Å; L53-F83 HydrophobicContact CD2-CE1 4.22Å; L53-F83 HydrophobicContact CD2-CE2 3.93Å; L53-F83 HydrophobicContact CD2-CZ 3.52Å; L53-F83 HydrophobicContact CG-CZ 4.09Å; L66-F83 HydrophobicContact CB-CE2 4.43Å; L66-F83 HydrophobicContact CD2-CE2 3.91Å; W71-F83 HydrophobicContact CD2-CD2 4Å; W71-F83 AromaticContact CE3-CD2 3.66Å; W71-F83 HydrophobicContact CE3-CD2 3.66Å; W71-F83 HydrophobicContact CE3-CE2 4.23Å; W71-F83 VanDerWaalsContact CH2-CA 3.48Å; W71-F83 HydrophobicContact CH2-CB 4.3Å; W71-F83 HydrophobicContact CH2-CD2 4.33Å; W71-F83 HydrophobicContact CZ2-CB 4.26Å; W71-F83 AromaticContact CZ3-CD2 3.82Å; W71-F83 HydrophobicContact CZ3-CD2 3.82Å; F83-S85 PolarHBondContact O-N 2.81Å; F83-L86 HydrophobicContact CD2-CD1 3.98Å; F83-L86 HydrophobicContact CE2-CD1 3.84Å; F83-L86 WeakPolarHBondContact O-CB 3.32Å; F83-L86 PolarHBondContact O-N 3.09Å |
| 84 | S | 84 | Confident | 86.3 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -64.2 | -19.6 | 173.8 | 49.8 | 0 | 0 | 0 | 0 | 114.1 | C82 L86 L87 | C82-S84 VanDerWaalsContact C-N 3.26Å; C82-S84 PolarHBondContact O-N 2.79Å; S84-L86 PolarHBondContact O-N 2.96Å; S84-L86 VanDerWaalsContact O-N 3.14Å; S84-L87 WeakPolarHBondContact O-CB 3.44Å; S84-L87 WeakPolarHBondContact O-CG 3.36Å; S84-L87 PolarHBondContact O-N 3.24Å |
| 85 | S | 85.4 | Confident | 86.4 | Confident | 46 Ų | 46 | 64.7 Ų | 64.7 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -66.1 | -11.3 | 176.2 | 72.1 | 0 | 0 | 0 | 0 | 113.8 | R80 C82 F83 L87 T89 | R80-S85 VanDerWaalsContact NH1-C 3.31Å; R80-S85 PolarHBondContact NH1-O 2.97Å; R80-S85 PolarHBondContact NH1-OG 3.5Å; C82-S85 WeakPolarHBondContact O-CB 3.41Å; C82-S85 PolarHBondContact O-N 2.93Å; C82-S85 PolarHBondContact O-OG 3.44Å; F83-S85 PolarHBondContact O-N 2.81Å; S85-L87 VanDerWaalsContact C-N 3.32Å; S85-T89 WeakPolarHBondContact O-CG2 3.48Å |
| 86 | L | 86.3 | Confident | 86.4 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -73 | -21.7 | 171.1 | -73 | 176.3 | 0 | 0 | 0 | 112.9 | V32 V35 L53 W71 L74 F83 S84 N88 T89 L118 T120 | V32-L86 WeakPolarHBondContact CB-O 3.26Å; V32-L86 HydrophobicContact CG1-CB 4.21Å; V32-L86 WeakPolarHBondContact CG1-O 3.34Å; V35-L86 HydrophobicContact CG2-CB 4.19Å; L53-L86 HydrophobicContact CD1-CD1 4.27Å; L53-L86 HydrophobicContact CD2-CD1 3.81Å; W71-L86 HydrophobicContact CE3-CD1 4.36Å; W71-L86 HydrophobicContact CZ3-CD1 3.94Å; W71-L86 HydrophobicContact CZ3-CG 4.2Å; L74-L86 HydrophobicContact CD2-CD1 4.48Å; L74-L86 HydrophobicContact CD2-CD2 3.82Å; F83-L86 HydrophobicContact CD2-CD1 3.98Å; F83-L86 HydrophobicContact CE2-CD1 3.84Å; F83-L86 WeakPolarHBondContact O-CB 3.32Å; F83-L86 PolarHBondContact O-N 3.09Å; S84-L86 PolarHBondContact O-N 2.96Å; S84-L86 VanDerWaalsContact O-N 3.14Å; L86-N88 PolarHBondContact O-N 2.97Å; L86-T89 WeakPolarHBondContact O-CB 3.18Å; L86-T89 PolarHBondContact O-N 3.43Å; L86-T89 VanDerWaalsContact O-N 3.11Å; L86-T89 PolarHBondContact O-OG1 3.19Å; L86-L118 HydrophobicContact CD1-CD2 4.31Å; L86-L118 HydrophobicContact CD2-CD2 4.17Å; L86-T120 HydrophobicContact CD2-CG2 3.64Å |
| 87 | L | 86.6 | Confident | 86.5 | Confident | 79 Ų | 79 | 62.5 Ų | 62.5 | 41% | 0.414 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 132.9 | 179 | -75.2 | 166.8 | 0 | 0 | 0 | 111.2 | V35 S84 S85 T89 | V35-L87 HydrophobicContact CB-CD2 3.89Å; V35-L87 HydrophobicContact CB-CG 3.98Å; V35-L87 HydrophobicContact CG2-CD2 3.67Å; V35-L87 HydrophobicContact CG2-CG 3.67Å; S84-L87 WeakPolarHBondContact O-CB 3.44Å; S84-L87 WeakPolarHBondContact O-CG 3.36Å; S84-L87 PolarHBondContact O-N 3.24Å; S85-L87 VanDerWaalsContact C-N 3.32Å; L87-T89 PolarHBondContact O-N 3.13Å |
| 88 | N | 85.7 | Confident | 86.7 | Confident | 83 Ų | 83 | 57.4 Ų | 57.4 | 44% | 0.444 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 18.6 | -179.8 | -55.4 | -21.1 | 0 | 0 | 0 | 115.3 | V32 L86 V126 | V32-N88 WeakPolarHBondContact O-CA 3.23Å; V32-N88 PolarHBondContact O-N 2.89Å; L86-N88 PolarHBondContact O-N 2.97Å; N88-V126 HydrophobicContact CB-CG2 3.95Å |
| 89 | T | 88.3 | Confident | 86.8 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 9% | 0.086 | 30% | 0.298 | C | S | . | . | trans | -86.9 | 149.9 | 168.7 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | H31 V32 S85 L86 L87 V91 | H31-T89 WeakPolarHBondContact CA-O 3.44Å; V32-T89 PolarHBondContact N-O 2.88Å; S85-T89 WeakPolarHBondContact O-CG2 3.48Å; L86-T89 WeakPolarHBondContact O-CB 3.18Å; L86-T89 PolarHBondContact O-N 3.43Å; L86-T89 VanDerWaalsContact O-N 3.11Å; L86-T89 PolarHBondContact O-OG1 3.19Å; L87-T89 PolarHBondContact O-N 3.13Å; T89-V91 WeakPolarHBondContact OG1-CG1 3.29Å | ||
| 90 | T | 89.1 | Confident | 87.2 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 138.7 | 162.2 | -41.5 | 0 | 0 | 0 | 0 | 107.4 | A30 T120 T121 A122 G124 | A30-T90 CarbonylContact O-C 3.58Å; A30-T90 WeakPolarHBondContact O-CA 3.46Å; T90-T120 CarbonylContact O-C 3.54Å; T90-T120 WeakPolarHBondContact O-CA 3.44Å; T90-T121 PolarHBondContact N-O 2.9Å; T90-T121 PolarHBondContact O-N 2.79Å; T90-A122 PolarHBondContact OG1-O 2.57Å; T90-G124 PolarHBondContact OG1-N 3.08Å |
| 91 | V | 91.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 146.1 | -177.1 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | R29 A30 V32 L55 T89 L118 A119 T120 | R29-V91 WeakPolarHBondContact CA-O 3.23Å; A30-V91 HydrophobicContact CB-CG2 4.21Å; A30-V91 PolarHBondContact N-O 2.91Å; A30-V91 PolarHBondContact O-N 3.34Å; V32-V91 HydrophobicContact CG2-CB 4.39Å; V32-V91 HydrophobicContact CG2-CG1 3.61Å; V32-V91 HydrophobicContact CG2-CG2 3.81Å; L55-V91 HydrophobicContact CD2-CG2 4.11Å; T89-V91 WeakPolarHBondContact OG1-CG1 3.29Å; V91-L118 HydrophobicContact CB-CD1 3.82Å; V91-L118 HydrophobicContact CB-CD2 4.4Å; V91-L118 HydrophobicContact CB-CG 4.17Å; V91-L118 HydrophobicContact CG1-CD2 4.24Å; V91-L118 HydrophobicContact CG1-CG 4.46Å; V91-L118 HydrophobicContact CG2-CD1 3.92Å; V91-A119 WeakPolarHBondContact CA-O 3.33Å; V91-T120 HydrophobicContact CG1-CG2 4.02Å |
| 92 | C | 90.9 | Very high | 87.7 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120.8 | 171.1 | -64.3 | 0 | 0 | 0 | 0 | 109.2 | Q27 L28 L118 A119 T121 | Q27-C92 HydrophobicContact CG-CB 4.14Å; Q27-C92 PolarHBondContact NE2-SG 2.74Å; Q27-C92 VanDerWaalsContact NE2-SG 3.41Å; L28-C92 CarbonylContact O-C 3.55Å; L28-C92 WeakPolarHBondContact O-CA 3.48Å; C92-L118 WeakPolarHBondContact O-CA 3.48Å; C92-A119 PolarHBondContact N-O 3.36Å; C92-A119 PolarHBondContact O-N 2.47Å; C92-T121 PolarHBondContact SG-OG1 3.32Å |
| 93 | L | 91.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 125.3 | 168.7 | -63 | 163.5 | 0 | 0 | 0 | 108 | W10 Q27 L28 L55 Y96 L113 V115 L118 | W10-L93 HydrophobicContact CH2-CD1 4.11Å; W10-L93 HydrophobicContact CZ2-CD1 4.09Å; Q27-L93 WeakPolarHBondContact CA-O 3.37Å; L28-L93 HydrophobicContact CB-CB 4.17Å; L28-L93 HydrophobicContact CB-CD1 3.92Å; L28-L93 HydrophobicContact CD1-CD1 4.28Å; L28-L93 PolarHBondContact N-O 3.1Å; L28-L93 PolarHBondContact O-N 3.35Å; L55-L93 HydrophobicContact CD1-CD1 3.97Å; L55-L93 HydrophobicContact CD1-CD2 3.99Å; L55-L93 HydrophobicContact CD1-CG 4.4Å; L93-Y96 HydrophobicContact CB-CD1 3.79Å; L93-Y96 HydrophobicContact CB-CG 4.3Å; L93-L113 HydrophobicContact CD1-CD1 4.03Å; L93-V115 HydrophobicContact CD2-CB 4.19Å; L93-V115 HydrophobicContact CD2-CG1 3.55Å; L93-V115 HydrophobicContact CD2-CG2 3.51Å; L93-L118 HydrophobicContact CD2-CD1 3.63Å; L93-L118 HydrophobicContact CG-CD1 4.3Å |
| 94 | Q | 89.4 | Confident | 87.4 | Confident | 90 Ų | 90 | 53 Ų | 53 | 42% | 0.421 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -58.3 | 178.3 | -65.9 | -173.2 | 102.2 | 0 | 0 | 110.6 | E117 | Q94-E117 HydrophobicContact CB-CB 4.11Å; Q94-E117 HydrophobicContact CB-CG 4.08Å; Q94-E117 PolarHBondContact N-O 2.9Å; Q94-E117 PolarHBondContact NE2-OE1 3.28Å |
| 95 | D | 89.8 | Confident | 86.9 | Confident | 91 Ų | 91 | 53.9 Ų | 53.9 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 116.6 | 164.3 | 171.9 | 39 | 0 | 0 | 0 | 109.7 | G116 E117 | D95-G116 PolarHBondContact O-N 3.05Å; D95-G116 VanDerWaalsContact OD2-CA 3.31Å; D95-G116 WeakPolarHBondContact OD2-CA 3.45Å; D95-E117 HydrophobicContact CB-CB 3.99Å; D95-E117 PolarHBondContact N-O 2.99Å; D95-E117 PolarHBondContact O-N 3.14Å; D95-E117 VanDerWaalsContact O-N 3.14Å |
| 96 | Y | 90.2 | Very high | 86.4 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 11% | 0.114 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 154.3 | 175.6 | 68.3 | -88.7 | 0 | 0 | 0 | 110.1 | L14 S26 L28 L93 L113 S114 | L14-Y96 HydrophobicContact CD1-CE2 4.21Å; L14-Y96 HydrophobicContact CD2-CE2 4.09Å; S26-Y96 WeakPolarHBondContact O-CE1 3.41Å; S26-Y96 PolarHBondContact O-OH 3.29Å; L28-Y96 HydrophobicContact CB-CE1 4.5Å; L28-Y96 HydrophobicContact CD1-CD1 4.27Å; L28-Y96 HydrophobicContact CD1-CD2 4.05Å; L28-Y96 HydrophobicContact CD1-CE1 3.74Å; L28-Y96 HydrophobicContact CD1-CE2 3.51Å; L28-Y96 HydrophobicContact CD1-CG 4.41Å; L28-Y96 HydrophobicContact CG-CD1 4.5Å; L28-Y96 HydrophobicContact CG-CE1 3.74Å; L28-Y96 HydrophobicContact CG-CE2 4.34Å; L93-Y96 HydrophobicContact CB-CD1 3.79Å; L93-Y96 HydrophobicContact CB-CG 4.3Å; Y96-L113 HydrophobicContact CD2-CD2 3.85Å; Y96-S114 CarbonylContact C-O 3.58Å; Y96-S114 WeakPolarHBondContact CA-O 3.26Å; Y96-S114 WeakPolarHBondContact CB-O 3.34Å |
| 97 | R | 89.8 | Confident | 85.7 | Confident | 157 Ų | 157 | 59.9 Ų | 59.9 | 59% | 0.592 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 131.1 | 174.9 | -168.5 | 174 | -174.2 | -168.8 | 0.3 | 111.2 | E23 R99 S114 | E23-R97 IonicContact OE2-NE 2.64Å; R97-R99 PolarHBondContact O-N 3.26Å; R97-S114 PolarHBondContact N-O 3.25Å; R97-S114 PolarHBondContact O-N 3.46Å |
| 98 | L | 91.1 | Very high | 85.2 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 128.6 | 176.4 | -170.4 | 63.9 | 0 | 0 | 0 | 109.8 | L14 I15 Y18 E23 I62 F111 L113 | L14-L98 HydrophobicContact CG-CD2 4.22Å; L14-L98 VanDerWaalsContact O-CD2 3.27Å; L14-L98 WeakPolarHBondContact O-CD2 3.47Å; I15-L98 HydrophobicContact CG1-CD2 4.16Å; Y18-L98 HydrophobicContact CD2-CB 4.18Å; Y18-L98 HydrophobicContact CD2-CD2 3.82Å; Y18-L98 HydrophobicContact CD2-CG 4Å; Y18-L98 WeakPolarHBondContact CE2-O 3.27Å; Y18-L98 HydrophobicContact CG-CD2 4.21Å; E23-L98 PolarHBondContact OE1-N 2.97Å; I62-L98 HydrophobicContact CD1-CD1 3.95Å; L98-F111 HydrophobicContact CD1-CB 4.2Å; L98-F111 HydrophobicContact CD1-CD1 4.3Å; L98-F111 HydrophobicContact CD2-CD1 4Å; L98-F111 HydrophobicContact CD2-CE1 4.45Å; L98-F111 HydrophobicContact CG-CD1 4.01Å; L98-L113 HydrophobicContact CB-CD2 4.35Å; L98-L113 HydrophobicContact CD1-CD2 4.04Å; L98-L113 HydrophobicContact CD1-CG 4.41Å |
| 99 | R | 88.7 | Confident | 85.1 | Confident | 100 Ų | 100 | 57.4 Ų | 57.4 | 38% | 0.377 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 143.4 | 177.1 | -69.9 | -163 | -83.1 | 152.9 | -10.9 | 110.5 | R97 F111 F112 S114 | R97-R99 PolarHBondContact O-N 3.26Å; R99-F111 WeakPolarHBondContact O-CA 3.42Å; R99-F112 HydrophobicContact CB-CD1 4.08Å; R99-F112 HydrophobicContact CB-CD2 4.47Å; R99-F112 HydrophobicContact CB-CE1 3.55Å; R99-F112 HydrophobicContact CB-CE2 4.02Å; R99-F112 HydrophobicContact CB-CZ 3.53Å; R99-F112 HydrophobicContact CG-CZ 4.41Å; R99-F112 PolarHBondContact N-O 2.96Å; R99-F112 WeakPolarHBondContact O-CD1 3.34Å; R99-F112 PolarHBondContact O-N 3.06Å; R99-S114 PolarHBondContact NE-OG 3.48Å; R99-S114 PolarHBondContact NH2-OG 2.94Å |
| 100 | F | 89.4 | Confident | 85 | Confident | 26 Ų | 26 | 62.7 Ų | 62.7 | 11% | 0.114 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.2 | 169.8 | -172.7 | -107.6 | 0 | 0 | 0 | 109.1 | Y18 M102 F111 I143 T146 W147 L150 | Y18-F100 HydrophobicContact CE1-CB 4.28Å; F100-M102 HydrophobicContact CD1-CB 4.19Å; F100-M102 HydrophobicContact CE1-CB 3.97Å; F100-M102 HydrophobicContact CE1-CG 4.39Å; F100-F111 HydrophobicContact CB-CD1 4.19Å; F100-F111 HydrophobicContact CB-CE1 3.89Å; F100-F111 AromaticContact CD2-CD1 3.89Å; F100-F111 HydrophobicContact CD2-CD1 3.89Å; F100-F111 HydrophobicContact CD2-CD2 4.12Å; F100-F111 AromaticContact CD2-CE1 3.59Å; F100-F111 HydrophobicContact CD2-CE1 3.59Å; F100-F111 AromaticContact CD2-CE2 3.84Å; F100-F111 HydrophobicContact CD2-CE2 3.84Å; F100-F111 HydrophobicContact CD2-CG 4.14Å; F100-F111 AromaticContact CD2-CZ 3.57Å; F100-F111 HydrophobicContact CD2-CZ 3.57Å; F100-F111 HydrophobicContact CE2-CD2 4.45Å; F100-F111 HydrophobicContact CE2-CE2 4.08Å; F100-F111 HydrophobicContact CE2-CZ 4.15Å; F100-F111 HydrophobicContact CG-CE1 4.16Å; F100-F111 HydrophobicContact CG-CZ 4.41Å; F100-I143 HydrophobicContact CE2-CB 4.37Å; F100-I143 HydrophobicContact CE2-CG1 4.28Å; F100-I143 HydrophobicContact CE2-CG2 4.05Å; F100-I143 HydrophobicContact CZ-CG2 4.28Å; F100-T146 HydrophobicContact CB-CG2 4.2Å; F100-T146 HydrophobicContact CD1-CG2 3.8Å; F100-T146 HydrophobicContact CD2-CG2 3.89Å; F100-T146 HydrophobicContact CE1-CG2 4.06Å; F100-T146 HydrophobicContact CE2-CG2 4.15Å; F100-T146 HydrophobicContact CG-CG2 3.68Å; F100-T146 HydrophobicContact CZ-CG2 4.23Å; F100-W147 HydrophobicContact CE1-CB 4.32Å; F100-W147 HydrophobicContact CZ-CB 4Å; F100-L150 HydrophobicContact CD1-CD1 3.5Å; F100-L150 HydrophobicContact CE1-CD1 3.98Å; F100-L150 HydrophobicContact CG-CD1 4.42Å |
| 101 | H | 85.8 | Confident | 85.1 | Confident | 75 Ų | 75 | 62.2 Ų | 62.2 | 35% | 0.347 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 113.3 | 166.6 | 176.9 | 55.8 | 0 | 0 | 0 | 108.1 | S109 R110 F112 | H101-S109 CarbonylContact O-C 3.33Å; H101-S109 WeakPolarHBondContact O-CA 3.47Å; H101-R110 HydrophobicContact CB-CG 4.17Å; H101-R110 PolarHBondContact N-O 2.86Å; H101-R110 PolarHBondContact O-N 3.34Å; H101-F112 HydrophobicContact CB-CD1 4.02Å; H101-F112 HydrophobicContact CB-CE1 3.82Å |
| 102 | M | 85.4 | Confident | 85.1 | Confident | 63 Ų | 63 | 63.7 Ų | 63.7 | 31% | 0.31 | 30% | 0.302 | S | S | . | . | trans | -87.6 | 129.7 | 170.6 | -169.7 | 163.8 | 80.1 | 0 | 0 | 109.4 | F100 L150 | F100-M102 HydrophobicContact CD1-CB 4.19Å; F100-M102 HydrophobicContact CE1-CB 3.97Å; F100-M102 HydrophobicContact CE1-CG 4.39Å; M102-L150 HydrophobicContact SD-CB 3.74Å; M102-L150 HydrophobicContact SD-CD1 4.47Å | ||
| 103 | D | 81.3 | Confident | 85.1 | Confident | 39 Ų | 39 | 63.3 Ų | 63.3 | 21% | 0.209 | 30% | 0.3 | C | S | . | . | trans | -126.2 | 147 | 171.6 | -175.9 | -72.2 | 0 | 0 | 0 | 107.5 | E105 K108 S109 W147 | D103-E105 CarbonylContact O-C 3.55Å; D103-E105 PolarHBondContact O-N 3.37Å; D103-E105 VanDerWaalsContact O-N 3.15Å; D103-E105 PolarHBondContact OD1-N 2.66Å; D103-K108 HydrophobicContact CB-CB 3.75Å; D103-K108 WeakPolarHBondContact OD1-CD 3.27Å; D103-S109 PolarHBondContact N-OG 3.49Å; D103-S109 PolarHBondContact O-OG 3.23Å; D103-S109 VanDerWaalsContact O-OG 3.06Å; D103-W147 PolarHBondContact O-NE1 3.29Å | ||
| 104 | P | 74.6 | Confident | 85 | Confident | 126 Ų | 126 | 64.3 Ų | 64.3 | 82% | 0.818 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -54.2 | -29.1 | 175.6 | -28 | 36.3 | 0 | 0 | 0 | 114 | ||
| 105 | E | 74.9 | Confident | 85 | Confident | 91 Ų | 91 | 60 Ų | 60 | 43% | 0.425 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -90.1 | 116.2 | 168.7 | -148.2 | -173.6 | 137.8 | 0 | 0 | 110.2 | D103 T107 K108 S109 | D103-E105 CarbonylContact O-C 3.55Å; D103-E105 PolarHBondContact O-N 3.37Å; D103-E105 VanDerWaalsContact O-N 3.15Å; D103-E105 PolarHBondContact OD1-N 2.66Å; E105-T107 HydrophobicContact CG-CG2 4.49Å; E105-T107 VanDerWaalsContact CG-OG1 3.24Å; E105-T107 WeakPolarHBondContact CG-OG1 3.2Å; E105-T107 PolarHBondContact O-N 2.86Å; E105-T107 PolarHBondContact OE1-OG1 3.19Å; E105-K108 HydrophobicContact CB-CB 4.49Å; E105-K108 HydrophobicContact CB-CD 3.91Å; E105-K108 HydrophobicContact CB-CG 4.22Å; E105-K108 PolarHBondContact O-N 3.17Å; E105-K108 WeakPolarHBondContact OE2-CE 3.49Å; E105-K108 IonicContact OE2-NZ 3.27Å; E105-K108 PolarHBondContact OE2-NZ 2.76Å; E105-S109 PolarHBondContact O-N 2.73Å |
| 106 | Q | 73.3 | Confident | 84.9 | Confident | 62 Ų | 62 | 56.2 Ų | 56.2 | 29% | 0.29 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26 | 179.6 | -171.8 | 177.1 | 108.6 | 0 | 0 | 113.2 | K108 S109 C144 W147 | Q106-K108 VanDerWaalsContact C-N 3.34Å; Q106-S109 PolarHBondContact O-N 2.81Å; Q106-C144 PolarHBondContact OE1-SG 2.91Å; Q106-W147 HydrophobicContact CB-CD2 4.24Å; Q106-W147 HydrophobicContact CB-CZ2 4.38Å; Q106-W147 HydrophobicContact CG-CD2 4.13Å; Q106-W147 HydrophobicContact CG-CE3 4.4Å; Q106-W147 HydrophobicContact CG-CG 4.22Å |
| 107 | T | 72 | Confident | 84.9 | Confident | 109 Ų | 109 | 57.1 Ų | 57.1 | 67% | 0.669 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -28.2 | 176.2 | 61 | 0 | 0 | 0 | 0 | 113.7 | E105 | E105-T107 HydrophobicContact CG-CG2 4.49Å; E105-T107 VanDerWaalsContact CG-OG1 3.24Å; E105-T107 WeakPolarHBondContact CG-OG1 3.2Å; E105-T107 PolarHBondContact O-N 2.86Å; E105-T107 PolarHBondContact OE1-OG1 3.19Å |
| 108 | K | 77.4 | Confident | 84.9 | Confident | 106 Ų | 106 | 49.8 Ų | 49.8 | 46% | 0.461 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -22.8 | 179.4 | -67.7 | 170.6 | -177.1 | 142 | 0 | 112.2 | D103 E105 Q106 | D103-K108 HydrophobicContact CB-CB 3.75Å; D103-K108 WeakPolarHBondContact OD1-CD 3.27Å; E105-K108 HydrophobicContact CB-CB 4.49Å; E105-K108 HydrophobicContact CB-CD 3.91Å; E105-K108 HydrophobicContact CB-CG 4.22Å; E105-K108 PolarHBondContact O-N 3.17Å; E105-K108 WeakPolarHBondContact OE2-CE 3.49Å; E105-K108 IonicContact OE2-NZ 3.27Å; E105-K108 PolarHBondContact OE2-NZ 2.76Å; Q106-K108 VanDerWaalsContact C-N 3.34Å |
| 109 | S | 82.9 | Confident | 84.9 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | trans | -62.9 | 133.1 | 175.6 | -66.3 | 0 | 0 | 0 | 0 | 111.3 | H101 D103 E105 Q106 W147 | H101-S109 CarbonylContact O-C 3.33Å; H101-S109 WeakPolarHBondContact O-CA 3.47Å; D103-S109 PolarHBondContact N-OG 3.49Å; D103-S109 PolarHBondContact O-OG 3.23Å; D103-S109 VanDerWaalsContact O-OG 3.06Å; E105-S109 PolarHBondContact O-N 2.73Å; Q106-S109 PolarHBondContact O-N 2.81Å; S109-W147 PolarHBondContact OG-NE1 2.83Å | ||
| 110 | R | 86.8 | Confident | 84.8 | Confident | 125 Ų | 125 | 47.6 Ų | 47.6 | 47% | 0.472 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 150.2 | -167.6 | 57.9 | -176.1 | 169.3 | 168.9 | -3 | 113.6 | H101 | H101-R110 HydrophobicContact CB-CG 4.17Å; H101-R110 PolarHBondContact N-O 2.86Å; H101-R110 PolarHBondContact O-N 3.34Å |
| 111 | F | 90.9 | Very high | 84.4 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 143.3 | 165.8 | -72.7 | -75 | 0 | 0 | 0 | 111.4 | I15 Y18 L98 R99 F100 K142 I143 T146 | I15-F111 HydrophobicContact CD1-CB 4.14Å; I15-F111 HydrophobicContact CG1-CB 4.06Å; I15-F111 HydrophobicContact CG1-CD2 4.35Å; I15-F111 HydrophobicContact CG1-CG 4.17Å; I15-F111 HydrophobicContact CG2-CD2 3.53Å; I15-F111 HydrophobicContact CG2-CE2 3.71Å; I15-F111 HydrophobicContact CG2-CG 4.11Å; I15-F111 HydrophobicContact CG2-CZ 4.42Å; Y18-F111 AromaticContact CD1-CE1 3.47Å; Y18-F111 HydrophobicContact CD1-CE1 3.47Å; Y18-F111 VanDerWaalsContact CD1-CE1 3.47Å; Y18-F111 AromaticContact CD1-CZ 3.84Å; Y18-F111 HydrophobicContact CD1-CZ 3.84Å; Y18-F111 AromaticContact CD2-CE1 4Å; Y18-F111 HydrophobicContact CD2-CE1 4Å; Y18-F111 AromaticContact CE1-CE1 3.85Å; Y18-F111 HydrophobicContact CE1-CE1 3.85Å; Y18-F111 HydrophobicContact CE1-CZ 4.4Å; Y18-F111 HydrophobicContact CE2-CE1 4.35Å; Y18-F111 HydrophobicContact CG-CD1 4.43Å; Y18-F111 AromaticContact CG-CE1 3.53Å; Y18-F111 HydrophobicContact CG-CE1 3.53Å; Y18-F111 HydrophobicContact CG-CZ 4.15Å; L98-F111 HydrophobicContact CD1-CB 4.2Å; L98-F111 HydrophobicContact CD1-CD1 4.3Å; L98-F111 HydrophobicContact CD2-CD1 4Å; L98-F111 HydrophobicContact CD2-CE1 4.45Å; L98-F111 HydrophobicContact CG-CD1 4.01Å; R99-F111 WeakPolarHBondContact O-CA 3.42Å; F100-F111 HydrophobicContact CB-CD1 4.19Å; F100-F111 HydrophobicContact CB-CE1 3.89Å; F100-F111 AromaticContact CD2-CD1 3.89Å; F100-F111 HydrophobicContact CD2-CD1 3.89Å; F100-F111 HydrophobicContact CD2-CD2 4.12Å; F100-F111 AromaticContact CD2-CE1 3.59Å; F100-F111 HydrophobicContact CD2-CE1 3.59Å; F100-F111 AromaticContact CD2-CE2 3.84Å; F100-F111 HydrophobicContact CD2-CE2 3.84Å; F100-F111 HydrophobicContact CD2-CG 4.14Å; F100-F111 AromaticContact CD2-CZ 3.57Å; F100-F111 HydrophobicContact CD2-CZ 3.57Å; F100-F111 HydrophobicContact CE2-CD2 4.45Å; F100-F111 HydrophobicContact CE2-CE2 4.08Å; F100-F111 HydrophobicContact CE2-CZ 4.15Å; F100-F111 HydrophobicContact CG-CE1 4.16Å; F100-F111 HydrophobicContact CG-CZ 4.41Å; F111-K142 HydrophobicContact CE2-CB 4.47Å; F111-K142 HydrophobicContact CE2-CG 3.92Å; F111-K142 HydrophobicContact CZ-CG 4.08Å; F111-I143 HydrophobicContact CD2-CD1 4.33Å; F111-I143 HydrophobicContact CD2-CG1 3.58Å; F111-I143 HydrophobicContact CE2-CG1 3.64Å; F111-T146 HydrophobicContact CZ-CG2 4.13Å |
| 112 | F | 90.7 | Very high | 83.5 | Confident | 31 Ų | 31 | 50 Ų | 50 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 154.3 | 173.9 | 71.9 | -77.6 | 0 | 0 | 0 | 110.2 | P63 V65 R99 H101 | P63-F112 HydrophobicContact CB-CB 4.38Å; P63-F112 HydrophobicContact CG-CB 3.91Å; P63-F112 CarbonylContact O-C 3.5Å; P63-F112 WeakPolarHBondContact O-CA 3.43Å; P63-F112 WeakPolarHBondContact O-CB 3.33Å; V65-F112 HydrophobicContact CG2-CD2 3.86Å; V65-F112 HydrophobicContact CG2-CE2 4.19Å; R99-F112 HydrophobicContact CB-CD1 4.08Å; R99-F112 HydrophobicContact CB-CD2 4.47Å; R99-F112 HydrophobicContact CB-CE1 3.55Å; R99-F112 HydrophobicContact CB-CE2 4.02Å; R99-F112 HydrophobicContact CB-CZ 3.53Å; R99-F112 HydrophobicContact CG-CZ 4.41Å; R99-F112 PolarHBondContact N-O 2.96Å; R99-F112 WeakPolarHBondContact O-CD1 3.34Å; R99-F112 PolarHBondContact O-N 3.06Å; H101-F112 HydrophobicContact CB-CD1 4.02Å; H101-F112 HydrophobicContact CB-CE1 3.82Å |
| 113 | L | 90.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 139.9 | 175 | -73.6 | 167.4 | 0 | 0 | 0 | 111.7 | W10 L14 L55 I62 P63 A64 V65 L93 Y96 L98 V115 | W10-L113 HydrophobicContact CH2-CD1 3.64Å; W10-L113 HydrophobicContact CZ3-CD1 4Å; L14-L113 HydrophobicContact CD2-CD2 4.02Å; L55-L113 HydrophobicContact CD1-CD1 4.3Å; I62-L113 HydrophobicContact CD1-CG 4.26Å; I62-L113 HydrophobicContact CG2-CD1 4.1Å; P63-L113 PolarHBondContact O-N 2.72Å; A64-L113 CarbonylContact C-O 3.59Å; A64-L113 WeakPolarHBondContact CA-O 3.2Å; A64-L113 HydrophobicContact CB-CB 3.8Å; V65-L113 PolarHBondContact N-O 2.82Å; L93-L113 HydrophobicContact CD1-CD1 4.03Å; Y96-L113 HydrophobicContact CD2-CD2 3.85Å; L98-L113 HydrophobicContact CB-CD2 4.35Å; L98-L113 HydrophobicContact CD1-CD2 4.04Å; L98-L113 HydrophobicContact CD1-CG 4.41Å; L113-V115 HydrophobicContact CB-CG2 4.34Å |
| 114 | S | 89.7 | Confident | 81.1 | Confident | 21 Ų | 21 | 50 Ų | 50 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 142.7 | 147.6 | -135.8 | 0 | 0 | 0 | 0 | 108.4 | Y96 R97 R99 | Y96-S114 CarbonylContact C-O 3.58Å; Y96-S114 WeakPolarHBondContact CA-O 3.26Å; Y96-S114 WeakPolarHBondContact CB-O 3.34Å; R97-S114 PolarHBondContact N-O 3.25Å; R97-S114 PolarHBondContact O-N 3.46Å; R99-S114 PolarHBondContact NE-OG 3.48Å; R99-S114 PolarHBondContact NH2-OG 2.94Å |
| 115 | V | 90.4 | Very high | 80.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 119.6 | 171.6 | -172.9 | 0 | 0 | 0 | 0 | 108.3 | A64 V65 L66 T67 L93 L113 L118 | A64-V115 HydrophobicContact CB-CG2 4.14Å; V65-V115 PolarHBondContact O-N 2.89Å; L66-V115 HydrophobicContact CD1-CB 3.82Å; L66-V115 HydrophobicContact CD1-CG1 3.66Å; T67-V115 PolarHBondContact N-O 3.1Å; T67-V115 VanDerWaalsContact N-O 3.1Å; T67-V115 PolarHBondContact OG1-O 3.41Å; L93-V115 HydrophobicContact CD2-CB 4.19Å; L93-V115 HydrophobicContact CD2-CG1 3.55Å; L93-V115 HydrophobicContact CD2-CG2 3.51Å; L113-V115 HydrophobicContact CB-CG2 4.34Å; V115-L118 HydrophobicContact CG1-CB 4.2Å; V115-L118 HydrophobicContact CG1-CD1 4.18Å |
| 116 | G | 87 | Confident | 79.7 | Confident | 10 Ų | 10 | 46.8 Ų | 46.8 | 10% | 0.103 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -20.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G70 D95 | G70-G116 WeakPolarHBondContact CA-O 3.39Å; D95-G116 PolarHBondContact O-N 3.05Å; D95-G116 VanDerWaalsContact OD2-CA 3.31Å; D95-G116 WeakPolarHBondContact OD2-CA 3.45Å |
| 117 | E | 89.8 | Confident | 79.2 | Confident | 49 Ų | 49 | 50.3 Ų | 50.3 | 23% | 0.229 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 128.9 | 166.4 | -172.1 | 178.4 | -172.2 | 0 | 0 | 111.6 | K77 Q94 D95 | K77-E117 IonicContact NZ-OE1 2.88Å; K77-E117 PolarHBondContact NZ-OE1 2.86Å; Q94-E117 HydrophobicContact CB-CB 4.11Å; Q94-E117 HydrophobicContact CB-CG 4.08Å; Q94-E117 PolarHBondContact N-O 2.9Å; Q94-E117 PolarHBondContact NE2-OE1 3.28Å; D95-E117 HydrophobicContact CB-CB 3.99Å; D95-E117 PolarHBondContact N-O 2.99Å; D95-E117 PolarHBondContact O-N 3.14Å; D95-E117 VanDerWaalsContact O-N 3.14Å |
| 118 | L | 90.1 | Very high | 78.7 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 148 | 176.5 | -164.1 | 72.8 | 0 | 0 | 0 | 108.6 | L53 L66 L74 L86 V91 C92 L93 V115 | L53-L118 HydrophobicContact CD1-CD2 4.22Å; L66-L118 HydrophobicContact CD1-CB 4.19Å; L74-L118 WeakPolarHBondContact CD1-O 3.17Å; L74-L118 HydrophobicContact CD2-CD2 4.29Å; L86-L118 HydrophobicContact CD1-CD2 4.31Å; L86-L118 HydrophobicContact CD2-CD2 4.17Å; V91-L118 HydrophobicContact CB-CD1 3.82Å; V91-L118 HydrophobicContact CB-CD2 4.4Å; V91-L118 HydrophobicContact CB-CG 4.17Å; V91-L118 HydrophobicContact CG1-CD2 4.24Å; V91-L118 HydrophobicContact CG1-CG 4.46Å; V91-L118 HydrophobicContact CG2-CD1 3.92Å; C92-L118 WeakPolarHBondContact O-CA 3.48Å; L93-L118 HydrophobicContact CD2-CD1 3.63Å; L93-L118 HydrophobicContact CG-CD1 4.3Å; V115-L118 HydrophobicContact CG1-CB 4.2Å; V115-L118 HydrophobicContact CG1-CD1 4.18Å |
| 119 | A | 89.9 | Confident | 78.1 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 138.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | V91 C92 | V91-A119 WeakPolarHBondContact CA-O 3.33Å; C92-A119 PolarHBondContact N-O 3.36Å; C92-A119 PolarHBondContact O-N 2.47Å |
| 120 | T | 88.3 | Confident | 78 | Confident | 29 Ų | 29 | 52.7 Ų | 52.7 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 164.1 | 176.9 | 79.4 | 0 | 0 | 0 | 0 | 111.8 | L74 E78 R80 L86 T90 V91 | L74-T120 HydrophobicContact CD1-CG2 4.34Å; L74-T120 HydrophobicContact CD2-CG2 4.42Å; E78-T120 VanDerWaalsContact CD-OG1 3.25Å; E78-T120 PolarHBondContact OE1-N 3.01Å; E78-T120 PolarHBondContact OE1-OG1 2.8Å; E78-T120 VanDerWaalsContact OE1-OG1 3.13Å; E78-T120 WeakPolarHBondContact OE2-CB 3.46Å; E78-T120 WeakPolarHBondContact OE2-CG2 3.35Å; E78-T120 PolarHBondContact OE2-OG1 2.81Å; R80-T120 PolarHBondContact NH2-OG1 3.38Å; L86-T120 HydrophobicContact CD2-CG2 3.64Å; T90-T120 CarbonylContact O-C 3.54Å; T90-T120 WeakPolarHBondContact O-CA 3.44Å; V91-T120 HydrophobicContact CG1-CG2 4.02Å |
| 121 | T | 81.1 | Confident | 77.9 | Confident | 65 Ų | 65 | 49.6 Ų | 49.6 | 40% | 0.399 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 153.7 | -178.3 | -56.1 | 0 | 0 | 0 | 0 | 106.8 | T90 C92 A123 | T90-T121 PolarHBondContact N-O 2.9Å; T90-T121 PolarHBondContact O-N 2.79Å; C92-T121 PolarHBondContact SG-OG1 3.32Å; T121-A123 PolarHBondContact O-N 2.93Å |
| 122 | A | 65.4 | Low | 77.6 | Confident | 87 Ų | 87 | 51.5 Ų | 51.5 | 72% | 0.719 | 32% | 0.32 | S | S | * | . | trans | -42.9 | 133.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T90 G124 | T90-A122 PolarHBondContact OG1-O 2.57Å; A122-G124 PolarHBondContact O-N 3.2Å | ||
| 123 | A | 60.8 | Low | 77.3 | Confident | 81 Ų | 81 | 50.2 Ų | 50.2 | 67% | 0.669 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 121.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T121 | T121-A123 PolarHBondContact O-N 2.93Š|
| 124 | G | 57.1 | Low | 76.9 | Confident | 22 Ų | 22 | 52.8 Ų | 52.8 | 23% | 0.227 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -97.8 | 157.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | T90 A122 V126 | T90-G124 PolarHBondContact OG1-N 3.08Å; A122-G124 PolarHBondContact O-N 3.2Å; G124-V126 PolarHBondContact O-N 3.16Å; G124-V126 VanDerWaalsContact O-N 3.17Å |
| 125 | P | 57.3 | Low | 76.5 | Confident | 119 Ų | 119 | 55.1 Ų | 55.1 | 77% | 0.773 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 116.4 | 171.8 | 27 | -33.3 | 0 | 0 | 0 | 110.2 | ||
| 126 | V | 62.3 | Low | 76.1 | Confident | 29 Ų | 29 | 56.1 Ų | 56.1 | 18% | 0.176 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 149.7 | 179.9 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | H31 I33 N88 G124 | H31-V126 HydrophobicContact CB-CG2 4.32Å; I33-V126 HydrophobicContact CB-CG1 4.3Å; I33-V126 HydrophobicContact CG2-CG1 3.61Å; N88-V126 HydrophobicContact CB-CG2 3.95Å; G124-V126 PolarHBondContact O-N 3.16Å; G124-V126 VanDerWaalsContact O-N 3.17Å |
| 127 | K | 62.9 | Low | 75.9 | Confident | 136 Ų | 136 | 58.5 Ų | 58.5 | 59% | 0.591 | 37% | 0.372 | S | S | * | . | trans | -107.8 | 91.3 | 173.3 | -176.8 | -173.3 | 170.7 | -164.3 | 0 | 109.5 | N129 T130 | K127-N129 PolarHBondContact O-N 2.88Å; K127-N129 VanDerWaalsContact O-N 3.13Å; K127-T130 PolarHBondContact O-N 3.43Å; K127-T130 PolarHBondContact O-OG1 3.11Å | ||
| 128 | D | 60.6 | Low | 75.8 | Confident | 118 Ų | 118 | 58 Ų | 58 | 63% | 0.631 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -55.2 | -36.7 | -170.3 | -50.4 | -44.6 | 0 | 0 | 0 | 113.5 | T130 | D128-T130 PolarHBondContact O-N 3.41Š|
| 129 | N | 66 | Low | 75.6 | Confident | 148 Ų | 148 | 57.9 Ų | 57.9 | 79% | 0.791 | 38% | 0.376 | S | S | * | . | trans | -82.3 | 47.8 | -178.5 | -68.5 | -62.4 | 0 | 0 | 0 | 113.4 | K127 | K127-N129 PolarHBondContact O-N 2.88Å; K127-N129 VanDerWaalsContact O-N 3.13Å | ||
| 130 | T | 79.3 | Confident | 75.5 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.025 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -83.8 | 125.2 | 170.8 | -53.4 | 0 | 0 | 0 | 0 | 110.4 | S56 L60 K61 K127 D128 | S56-T130 WeakPolarHBondContact OG-CG2 3.17Å; S56-T130 PolarHBondContact OG-OG1 2.61Å; L60-T130 WeakPolarHBondContact O-CG2 3.36Å; K61-T130 HydrophobicContact CB-CG2 4.15Å; K61-T130 WeakPolarHBondContact CD-O 3.44Å; K61-T130 WeakPolarHBondContact CE-O 3.24Å; K61-T130 PolarHBondContact NZ-O 3.34Å; K127-T130 PolarHBondContact O-N 3.43Å; K127-T130 PolarHBondContact O-OG1 3.11Å; D128-T130 PolarHBondContact O-N 3.41Å |
| 131 | P | 84.4 | Confident | 75.3 | Confident | 60 Ų | 60 | 65.4 Ų | 65.4 | 39% | 0.39 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 156.7 | 176.9 | 30.1 | -36 | 0 | 0 | 0 | 112.7 | E59 L60 K61 | E59-P131 VanDerWaalsContact O-CD 3.31Å; E59-P131 WeakPolarHBondContact O-CD 3.32Å; E59-P131 VanDerWaalsContact O-CG 3.31Å; E59-P131 WeakPolarHBondContact O-CG 3.48Å; L60-P131 CarbonylContact C-O 3.5Å; L60-P131 WeakPolarHBondContact CA-O 3.4Å; L60-P131 HydrophobicContact CD2-CG 4.32Å; K61-P131 WeakPolarHBondContact CG-O 3.15Å; K61-P131 PolarHBondContact N-O 3.27Å |
| 132 | C | 85.3 | Confident | 75.7 | Confident | 42 Ų | 42 | 64 Ų | 64 | 28% | 0.284 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -68.4 | 150.3 | 177.3 | -165.7 | 0 | 0 | 0 | 0 | 111.2 | T134 S135 | C132-T134 PolarHBondContact O-N 3.28Å; C132-T134 VanDerWaalsContact O-N 3.17Å; C132-T134 PolarHBondContact SG-OG1 3.24Å; C132-S135 WeakPolarHBondContact O-CB 3.24Å; C132-S135 PolarHBondContact O-N 2.8Å; C132-S135 PolarHBondContact O-OG 3.15Å |
| 133 | C | 83.8 | Confident | 76.8 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.02 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -54.6 | -33.9 | 170.5 | 64.1 | 0 | 0 | 0 | 0 | 112.3 | I11 I15 L60 K61 S135 S136 V139 | I11-C133 HydrophobicContact CG2-CB 3.7Å; I15-C133 HydrophobicContact CD1-CB 3.88Å; L60-C133 HydrophobicContact CD1-CB 4.46Å; K61-C133 PolarHBondContact O-N 3.04Å; C133-S135 PolarHBondContact O-N 3.05Å; C133-S135 VanDerWaalsContact O-N 3.15Å; C133-S136 PolarHBondContact O-N 2.87Å; C133-V139 HydrophobicContact CB-CG1 4.23Å; C133-V139 VanDerWaalsContact O-CB 3.24Å; C133-V139 WeakPolarHBondContact O-CB 3.45Å; C133-V139 VanDerWaalsContact O-CG1 3.29Å; C133-V139 WeakPolarHBondContact O-CG1 3.39Å |
| 134 | T | 84.4 | Confident | 77.9 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -66.6 | -9.6 | 174.5 | 59.4 | 0 | 0 | 0 | 0 | 114.5 | C132 S136 R140 I143 | C132-T134 PolarHBondContact O-N 3.28Å; C132-T134 VanDerWaalsContact O-N 3.17Å; C132-T134 PolarHBondContact SG-OG1 3.24Å; T134-S136 VanDerWaalsContact C-N 3.33Å; T134-R140 WeakPolarHBondContact O-CD 3.29Å; T134-R140 VanDerWaalsContact O-CG 3.27Å; T134-R140 WeakPolarHBondContact O-CG 3.47Å; T134-R140 PolarHBondContact O-NH1 2.9Å; T134-I143 HydrophobicContact CG2-CD1 3.93Å |
| 135 | S | 79.9 | Confident | 79.4 | Confident | 70 Ų | 70 | 64.3 Ų | 64.3 | 49% | 0.49 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -71.5 | -27 | 169.3 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | C132 C133 R140 | C132-S135 WeakPolarHBondContact O-CB 3.24Å; C132-S135 PolarHBondContact O-N 2.8Å; C132-S135 PolarHBondContact O-OG 3.15Å; C133-S135 PolarHBondContact O-N 3.05Å; C133-S135 VanDerWaalsContact O-N 3.15Å; S135-R140 PolarHBondContact O-NH1 2.79Å |
| 136 | S | 83.2 | Confident | 80.9 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -69.2 | 137.3 | 171 | 167.7 | 0 | 0 | 0 | 0 | 111.8 | E12 C133 T134 A138 V139 R140 | E12-S136 VanDerWaalsContact OE1-CB 3.23Å; E12-S136 WeakPolarHBondContact OE1-CB 3.34Å; E12-S136 PolarHBondContact OE1-OG 3.29Å; C133-S136 PolarHBondContact O-N 2.87Å; T134-S136 VanDerWaalsContact C-N 3.33Å; S136-A138 PolarHBondContact OG-N 3.49Å; S136-V139 PolarHBondContact OG-N 3.04Å; S136-R140 WeakPolarHBondContact O-CG 3.45Å; S136-R140 PolarHBondContact O-N 3.14Å; S136-R140 VanDerWaalsContact O-N 3.14Å; S136-R140 PolarHBondContact O-NH1 3.22Å |
| 137 | A | 82.8 | Confident | 82.1 | Confident | 59 Ų | 59 | 60.2 Ų | 60.2 | 49% | 0.488 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68 | -35.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R140 M141 | A137-R140 PolarHBondContact O-N 3.25Å; A137-M141 WeakPolarHBondContact O-CB 3.46Å; A137-M141 VanDerWaalsContact O-CG 3.32Å; A137-M141 WeakPolarHBondContact O-CG 3.49Å; A137-M141 PolarHBondContact O-N 3.17Å |
| 138 | A | 86.8 | Confident | 83.1 | Confident | 40 Ų | 40 | 60.7 Ų | 60.7 | 33% | 0.331 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.9 | -41.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L16 S136 M141 K142 | L16-A138 HydrophobicContact CD1-CB 4.31Å; L16-A138 HydrophobicContact CD2-CB 4.11Å; S136-A138 PolarHBondContact OG-N 3.49Å; A138-M141 PolarHBondContact O-N 3.08Å; A138-K142 PolarHBondContact O-N 2.81Å |
| 139 | V | 86.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 171.7 | 170 | 0 | 0 | 0 | 0 | 111.7 | E12 I15 C133 S136 M141 K142 I143 | E12-V139 HydrophobicContact CG-CG2 4.32Å; I15-V139 HydrophobicContact CB-CG2 4.43Å; I15-V139 HydrophobicContact CD1-CG1 4.06Å; I15-V139 HydrophobicContact CD1-CG2 4.16Å; I15-V139 HydrophobicContact CG2-CG1 4.17Å; I15-V139 HydrophobicContact CG2-CG2 4.19Å; C133-V139 HydrophobicContact CB-CG1 4.23Å; C133-V139 VanDerWaalsContact O-CB 3.24Å; C133-V139 WeakPolarHBondContact O-CB 3.45Å; C133-V139 VanDerWaalsContact O-CG1 3.29Å; C133-V139 WeakPolarHBondContact O-CG1 3.39Å; S136-V139 PolarHBondContact OG-N 3.04Å; V139-M141 PolarHBondContact O-N 2.91Å; V139-K142 PolarHBondContact O-N 2.83Å; V139-I143 HydrophobicContact CG1-CD1 4.05Å; V139-I143 WeakPolarHBondContact O-CG1 3.42Å; V139-I143 PolarHBondContact O-N 3.4Å |
| 140 | R | 86.8 | Confident | 85.1 | Confident | 116 Ų | 116 | 54.4 Ų | 54.4 | 44% | 0.438 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 173.7 | -73.1 | -167.3 | -57.8 | -81.4 | 2.7 | 111.8 | T134 S135 S136 A137 K142 I143 C144 | T134-R140 WeakPolarHBondContact O-CD 3.29Å; T134-R140 VanDerWaalsContact O-CG 3.27Å; T134-R140 WeakPolarHBondContact O-CG 3.47Å; T134-R140 PolarHBondContact O-NH1 2.9Å; S135-R140 PolarHBondContact O-NH1 2.79Å; S136-R140 WeakPolarHBondContact O-CG 3.45Å; S136-R140 PolarHBondContact O-N 3.14Å; S136-R140 VanDerWaalsContact O-N 3.14Å; S136-R140 PolarHBondContact O-NH1 3.22Å; A137-R140 PolarHBondContact O-N 3.25Å; R140-K142 VanDerWaalsContact C-N 3.27Å; R140-K142 PolarHBondContact O-N 3.2Å; R140-I143 WeakPolarHBondContact O-CB 3.43Å; R140-I143 PolarHBondContact O-N 3.35Å; R140-I143 VanDerWaalsContact O-N 3.14Å; R140-C144 PolarHBondContact O-N 3.3Å; R140-C144 PolarHBondContact O-SG 2.96Å |
| 141 | M | 83.9 | Confident | 85 | Confident | 98 Ų | 98 | 57.4 Ų | 57.4 | 48% | 0.483 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.8 | -34.3 | 177.3 | -73.2 | -61.5 | -69.4 | 0 | 0 | 112.6 | A137 A138 V139 R145 | A137-M141 WeakPolarHBondContact O-CB 3.46Å; A137-M141 VanDerWaalsContact O-CG 3.32Å; A137-M141 WeakPolarHBondContact O-CG 3.49Å; A137-M141 PolarHBondContact O-N 3.17Å; A138-M141 PolarHBondContact O-N 3.08Å; V139-M141 PolarHBondContact O-N 2.91Å; M141-R145 WeakPolarHBondContact O-CB 3.43Å; M141-R145 VanDerWaalsContact O-CG 3.23Å; M141-R145 WeakPolarHBondContact O-CG 3.2Å; M141-R145 PolarHBondContact O-N 2.85Å |
| 142 | K | 90.3 | Very high | 83.9 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 16% | 0.157 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.6 | -45.8 | 171.9 | -173.5 | 76.1 | 179.8 | -163 | 0 | 111.7 | I15 L16 Y18 F111 A138 V139 R140 C144 R145 T146 | I15-K142 HydrophobicContact CG2-CB 4.22Å; I15-K142 HydrophobicContact CG2-CG 3.96Å; I15-K142 WeakPolarHBondContact O-CE 3.49Å; I15-K142 WeakPolarHBondContact O-CG 3.39Å; L16-K142 HydrophobicContact CD2-CB 4.15Å; L16-K142 PolarHBondContact O-NZ 3.33Å; Y18-K142 WeakPolarHBondContact O-CE 3.47Å; Y18-K142 PolarHBondContact O-NZ 3.24Å; F111-K142 HydrophobicContact CE2-CB 4.47Å; F111-K142 HydrophobicContact CE2-CG 3.92Å; F111-K142 HydrophobicContact CZ-CG 4.08Å; A138-K142 PolarHBondContact O-N 2.81Å; V139-K142 PolarHBondContact O-N 2.83Å; R140-K142 VanDerWaalsContact C-N 3.27Å; R140-K142 PolarHBondContact O-N 3.2Å; K142-C144 PolarHBondContact O-N 2.92Å; K142-R145 PolarHBondContact O-N 3.13Å; K142-T146 WeakPolarHBondContact O-CB 3.47Å; K142-T146 PolarHBondContact O-N 3.17Å; K142-T146 PolarHBondContact O-OG1 2.88Å |
| 143 | I | 87.9 | Confident | 82.5 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.046 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.5 | -50.3 | 174.3 | -70 | 166.9 | 0 | 0 | 0 | 110.3 | F100 F111 T134 V139 R140 R145 T146 W147 | F100-I143 HydrophobicContact CE2-CB 4.37Å; F100-I143 HydrophobicContact CE2-CG1 4.28Å; F100-I143 HydrophobicContact CE2-CG2 4.05Å; F100-I143 HydrophobicContact CZ-CG2 4.28Å; F111-I143 HydrophobicContact CD2-CD1 4.33Å; F111-I143 HydrophobicContact CD2-CG1 3.58Å; F111-I143 HydrophobicContact CE2-CG1 3.64Å; T134-I143 HydrophobicContact CG2-CD1 3.93Å; V139-I143 HydrophobicContact CG1-CD1 4.05Å; V139-I143 WeakPolarHBondContact O-CG1 3.42Å; V139-I143 PolarHBondContact O-N 3.4Å; R140-I143 WeakPolarHBondContact O-CB 3.43Å; R140-I143 PolarHBondContact O-N 3.35Å; R140-I143 VanDerWaalsContact O-N 3.14Å; I143-R145 VanDerWaalsContact C-N 3.33Å; I143-R145 PolarHBondContact O-N 2.8Å; I143-T146 PolarHBondContact O-N 2.85Å; I143-W147 VanDerWaalsContact O-CB 3.23Å; I143-W147 WeakPolarHBondContact O-CB 3.45Å; I143-W147 PolarHBondContact O-N 3.2Å |
| 144 | C | 85.4 | Confident | 81 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 16% | 0.155 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 178 | -60.3 | 0 | 0 | 0 | 0 | 112.8 | Q106 R140 K142 R148 | Q106-C144 PolarHBondContact OE1-SG 2.91Å; R140-C144 PolarHBondContact O-N 3.3Å; R140-C144 PolarHBondContact O-SG 2.96Å; K142-C144 PolarHBondContact O-N 2.92Å; C144-R148 VanDerWaalsContact O-CG 3.32Å; C144-R148 WeakPolarHBondContact O-CG 3.37Å; C144-R148 PolarHBondContact O-N 3.5Å |
| 145 | R | 88.1 | Confident | 79.2 | Confident | 165 Ų | 165 | 66.1 Ų | 66.1 | 62% | 0.623 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -68.4 | -49.1 | 177.1 | -75.4 | 169.9 | 178.5 | -179.5 | -0.3 | 111.8 | M141 K142 I143 R148 S149 | M141-R145 WeakPolarHBondContact O-CB 3.43Å; M141-R145 VanDerWaalsContact O-CG 3.23Å; M141-R145 WeakPolarHBondContact O-CG 3.2Å; M141-R145 PolarHBondContact O-N 2.85Å; K142-R145 PolarHBondContact O-N 3.13Å; I143-R145 VanDerWaalsContact C-N 3.33Å; I143-R145 PolarHBondContact O-N 2.8Å; R145-R148 PolarHBondContact O-N 2.82Å; R145-S149 WeakPolarHBondContact O-CB 3.42Å; R145-S149 PolarHBondContact O-N 3.17Å |
| 146 | T | 88.8 | Confident | 77.7 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 9% | 0.092 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 179.6 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | Y18 F100 F111 K142 I143 S149 L150 | Y18-T146 HydrophobicContact CD1-CG2 4.18Å; Y18-T146 HydrophobicContact CE1-CG2 3.8Å; F100-T146 HydrophobicContact CB-CG2 4.2Å; F100-T146 HydrophobicContact CD1-CG2 3.8Å; F100-T146 HydrophobicContact CD2-CG2 3.89Å; F100-T146 HydrophobicContact CE1-CG2 4.06Å; F100-T146 HydrophobicContact CE2-CG2 4.15Å; F100-T146 HydrophobicContact CG-CG2 3.68Å; F100-T146 HydrophobicContact CZ-CG2 4.23Å; F111-T146 HydrophobicContact CZ-CG2 4.13Å; K142-T146 WeakPolarHBondContact O-CB 3.47Å; K142-T146 PolarHBondContact O-N 3.17Å; K142-T146 PolarHBondContact O-OG1 2.88Å; I143-T146 PolarHBondContact O-N 2.85Å; T146-S149 PolarHBondContact O-N 3.29Å; T146-L150 HydrophobicContact CG2-CD1 3.88Å; T146-L150 HydrophobicContact CG2-CG 4.48Å; T146-L150 WeakPolarHBondContact O-CG 3.33Å; T146-L150 PolarHBondContact O-N 3.46Å |
| 147 | W | 87.4 | Confident | 75.9 | Confident | 46 Ų | 46 | 74.9 Ų | 74.9 | 17% | 0.174 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.5 | -51.8 | 175.6 | -172.3 | 86.8 | 0 | 0 | 0 | 112 | F100 D103 Q106 S109 I143 S149 L150 L151 | F100-W147 HydrophobicContact CE1-CB 4.32Å; F100-W147 HydrophobicContact CZ-CB 4Å; D103-W147 PolarHBondContact O-NE1 3.29Å; Q106-W147 HydrophobicContact CB-CD2 4.24Å; Q106-W147 HydrophobicContact CB-CZ2 4.38Å; Q106-W147 HydrophobicContact CG-CD2 4.13Å; Q106-W147 HydrophobicContact CG-CE3 4.4Å; Q106-W147 HydrophobicContact CG-CG 4.22Å; S109-W147 PolarHBondContact OG-NE1 2.83Å; I143-W147 VanDerWaalsContact O-CB 3.23Å; I143-W147 WeakPolarHBondContact O-CB 3.45Å; I143-W147 PolarHBondContact O-N 3.2Å; W147-S149 VanDerWaalsContact C-N 3.33Å; W147-S149 PolarHBondContact O-N 3.39Å; W147-L150 PolarHBondContact O-N 2.78Å; W147-L151 HydrophobicContact CE3-CD2 4.44Å; W147-L151 HydrophobicContact CH2-CD2 3.91Å; W147-L151 HydrophobicContact CZ3-CD2 3.84Å; W147-L151 WeakPolarHBondContact O-CB 3.48Å; W147-L151 PolarHBondContact O-N 3.12Å |
| 148 | R | 82.8 | Confident | 74 | Confident | 146 Ų | 146 | 81.6 Ų | 81.6 | 55% | 0.551 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.6 | -38.3 | 176.8 | -67 | 176.7 | -149.4 | 153.4 | 2.9 | 112.7 | C144 R145 L150 L151 G152 | C144-R148 VanDerWaalsContact O-CG 3.32Å; C144-R148 WeakPolarHBondContact O-CG 3.37Å; C144-R148 PolarHBondContact O-N 3.5Å; R145-R148 PolarHBondContact O-N 2.82Å; R148-L150 VanDerWaalsContact C-N 3.31Å; R148-L150 PolarHBondContact O-N 2.91Å; R148-L151 PolarHBondContact O-N 2.79Å; R148-G152 PolarHBondContact O-N 2.89Å |
| 149 | S | 86.6 | Confident | 71.8 | Confident | 84 Ų | 84 | 84.1 Ų | 84.1 | 59% | 0.587 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.5 | -31.7 | 179.6 | -170.8 | 0 | 0 | 0 | 0 | 112.9 | R145 T146 W147 | R145-S149 WeakPolarHBondContact O-CB 3.42Å; R145-S149 PolarHBondContact O-N 3.17Å; T146-S149 PolarHBondContact O-N 3.29Å; W147-S149 VanDerWaalsContact C-N 3.33Å; W147-S149 PolarHBondContact O-N 3.39Å |
| 150 | L | 82.1 | Confident | 69.8 | Low | 50 Ų | 50 | 94.1 Ų | 94.1 | 26% | 0.262 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -82.4 | -37.8 | 176.1 | -69.5 | 169.4 | 0 | 0 | 0 | 111.6 | F100 M102 T146 W147 R148 Q153 E154 | F100-L150 HydrophobicContact CD1-CD1 3.5Å; F100-L150 HydrophobicContact CE1-CD1 3.98Å; F100-L150 HydrophobicContact CG-CD1 4.42Å; M102-L150 HydrophobicContact SD-CB 3.74Å; M102-L150 HydrophobicContact SD-CD1 4.47Å; T146-L150 HydrophobicContact CG2-CD1 3.88Å; T146-L150 HydrophobicContact CG2-CG 4.48Å; T146-L150 WeakPolarHBondContact O-CG 3.33Å; T146-L150 PolarHBondContact O-N 3.46Å; W147-L150 PolarHBondContact O-N 2.78Å; R148-L150 VanDerWaalsContact C-N 3.31Å; R148-L150 PolarHBondContact O-N 2.91Å; L150-Q153 WeakPolarHBondContact O-CA 3.4Å; L150-Q153 WeakPolarHBondContact O-CB 3.11Å; L150-Q153 PolarHBondContact O-N 3.33Å; L150-E154 PolarHBondContact O-N 2.98Å |
| 151 | L | 76.9 | Confident | 67.7 | Low | 68 Ų | 68 | 92.3 Ų | 92.3 | 36% | 0.356 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.2 | -54.4 | 174.8 | -169.9 | 66.1 | 0 | 0 | 0 | 110.8 | W147 R148 Q153 E154 D155 | W147-L151 HydrophobicContact CE3-CD2 4.44Å; W147-L151 HydrophobicContact CH2-CD2 3.91Å; W147-L151 HydrophobicContact CZ3-CD2 3.84Å; W147-L151 WeakPolarHBondContact O-CB 3.48Å; W147-L151 PolarHBondContact O-N 3.12Å; R148-L151 PolarHBondContact O-N 2.79Å; L151-Q153 PolarHBondContact O-N 2.99Å; L151-E154 PolarHBondContact O-N 2.83Å; L151-D155 PolarHBondContact O-N 2.96Å |
| 152 | G | 62.2 | Low | 65.9 | Low | 34 Ų | 34 | 91.5 Ų | 91.5 | 35% | 0.351 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.1 | -15.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R148 S156 | R148-G152 PolarHBondContact O-N 2.89Å; G152-S156 WeakPolarHBondContact O-CB 3.39Å; G152-S156 PolarHBondContact O-N 3.18Å; G152-S156 PolarHBondContact O-OG 3.14Å |
| 153 | Q | 56.8 | Low | 63.9 | Low | 119 Ų | 119 | 95.9 Ų | 95.9 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -82.6 | -34.2 | 173 | -173 | 178 | -4.6 | 0 | 0 | 112.1 | L150 L151 | L150-Q153 WeakPolarHBondContact O-CA 3.4Å; L150-Q153 WeakPolarHBondContact O-CB 3.11Å; L150-Q153 PolarHBondContact O-N 3.33Å; L151-Q153 PolarHBondContact O-N 2.99Å |
| 154 | E | 52.1 | Low | 62.2 | Low | 113 Ų | 113 | 100.1 Ų | 100.1 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.6 | -39.2 | 169.1 | -64.2 | -161.7 | 165.5 | 0 | 0 | 111 | L150 L151 S156 Q157 R158 | L150-E154 PolarHBondContact O-N 2.98Å; L151-E154 PolarHBondContact O-N 2.83Å; E154-S156 VanDerWaalsContact C-N 3.3Å; E154-S156 PolarHBondContact O-N 3.37Å; E154-Q157 PolarHBondContact O-N 2.84Å; E154-R158 PolarHBondContact O-N 3.48Å |
| 155 | D | 46.8 | Very low | 60.4 | Low | 76 Ų | 76 | 104.8 Ų | 104.8 | 41% | 0.406 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.8 | -31.8 | 174.4 | -61.8 | -40.9 | 0 | 0 | 0 | 112.3 | L151 Q157 R158 | L151-D155 PolarHBondContact O-N 2.96Å; D155-Q157 PolarHBondContact O-N 3.46Å; D155-R158 CarbonylContact O-C 3.52Å; D155-R158 WeakPolarHBondContact O-CA 3.49Å; D155-R158 PolarHBondContact O-N 2.83Å |
| 156 | S | 46.7 | Very low | 58.6 | Low | 103 Ų | 103 | 100.5 Ų | 100.5 | 72% | 0.72 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -18.8 | 171.1 | -66.5 | 0 | 0 | 0 | 0 | 113.7 | G152 E154 | G152-S156 WeakPolarHBondContact O-CB 3.39Å; G152-S156 PolarHBondContact O-N 3.18Å; G152-S156 PolarHBondContact O-OG 3.14Å; E154-S156 VanDerWaalsContact C-N 3.3Å; E154-S156 PolarHBondContact O-N 3.37Å |
| 157 | Q | 47.2 | Very low | 57 | Low | 172 Ų | 172 | 104.5 Ų | 104.5 | 80% | 0.804 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -9.7 | 169.7 | -62.8 | -169.2 | -11.3 | 0 | 0 | 113 | E154 D155 | E154-Q157 PolarHBondContact O-N 2.84Å; D155-Q157 PolarHBondContact O-N 3.46Å |
| 158 | R | 42.8 | Very low | 55.5 | Low | 201 Ų | 201 | 107.5 Ų | 107.5 | 76% | 0.758 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -109.9 | 61 | 178.7 | -76.7 | -177.8 | 161.2 | 176.4 | -2.7 | 112.6 | E154 D155 | E154-R158 PolarHBondContact O-N 3.48Å; D155-R158 CarbonylContact O-C 3.52Å; D155-R158 WeakPolarHBondContact O-CA 3.49Å; D155-R158 PolarHBondContact O-N 2.83Å |
| 159 | S | 39.2 | Very low | 54.3 | Low | 93 Ų | 93 | 105.4 Ų | 105.4 | 65% | 0.65 | 59% | 0.588 | S | S | * | * | trans | 57.3 | 97.2 | 153.7 | -57.4 | 0 | 0 | 0 | 0 | 117.6 | A161 | S159-A161 PolarHBondContact O-N 3.25Š| ||
| 160 | Q | 45.9 | Very low | 53.3 | Low | 210 Ų | 210 | 103 Ų | 103 | 98% | 0.981 | 58% | 0.577 | S | S | * | * | S | Bend | 52.4 | 21.9 | 120 | -148.3 | 177.4 | 11.5 | 0 | 0 | 118.7 | |||
| 161 | A | 41.4 | Very low | 52 | Low | 77 Ų | 77 | 106.7 Ų | 106.7 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | trans | -126 | 115.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | S159 L163 | S159-A161 PolarHBondContact O-N 3.25Å; A161-L163 PolarHBondContact O-N 3.2Å | ||
| 162 | G | 47.3 | Very low | 51 | Low | 81 Ų | 81 | 111.7 Ų | 111.7 | 84% | 0.835 | 61% | 0.607 | S | S | * | * | trans | -74 | 108.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110 | D164 | G162-D164 PolarHBondContact O-N 3.14Š| ||
| 163 | L | 46.8 | Very low | 50.8 | Low | 129 Ų | 129 | 116.5 Ų | 116.5 | 68% | 0.675 | 62% | 0.62 | S | S | * | * | trans | -68.5 | 119.1 | 164.1 | -54.1 | -178.5 | 0 | 0 | 0 | 107.2 | A161 E167 | A161-L163 PolarHBondContact O-N 3.2Å; L163-E167 WeakPolarHBondContact CD2-OE2 3.23Å | ||
| 164 | D | 53.1 | Low | 51.3 | Low | 97 Ų | 97 | 115.7 Ų | 115.7 | 52% | 0.519 | 62% | 0.617 | S | S | . | * | trans | -74.8 | 156.8 | -171.3 | -178.3 | 37.3 | 0 | 0 | 0 | 111.4 | G162 S166 E167 L168 | G162-D164 PolarHBondContact O-N 3.14Å; D164-S166 PolarHBondContact O-N 2.91Å; D164-S166 VanDerWaalsContact O-N 3.14Å; D164-S166 VanDerWaalsContact OD2-CB 3.25Å; D164-S166 WeakPolarHBondContact OD2-CB 3.43Å; D164-S166 PolarHBondContact OD2-N 2.99Å; D164-S166 PolarHBondContact OD2-OG 3.38Å; D164-E167 WeakPolarHBondContact O-CB 3.43Å; D164-E167 PolarHBondContact O-N 3.45Å; D164-L168 PolarHBondContact O-N 3.03Å | ||
| 165 | L | 46.6 | Very low | 51.9 | Low | 121 Ų | 121 | 115.7 Ų | 115.7 | 63% | 0.634 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -59 | -27.5 | 176.1 | -175.4 | 61.6 | 0 | 0 | 0 | 111.8 | E167 L169 | L165-E167 VanDerWaalsContact C-N 3.34Å; L165-L169 HydrophobicContact CG-CD1 4.29Å; L165-L169 WeakPolarHBondContact O-CB 3.27Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 3.14Å |
| 166 | S | 51.6 | Low | 52.7 | Low | 75 Ų | 75 | 115 Ų | 115 | 52% | 0.524 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.5 | -30.9 | 172.2 | 66.3 | 0 | 0 | 0 | 0 | 113.7 | D164 G170 | D164-S166 PolarHBondContact O-N 2.91Å; D164-S166 VanDerWaalsContact O-N 3.14Å; D164-S166 VanDerWaalsContact OD2-CB 3.25Å; D164-S166 WeakPolarHBondContact OD2-CB 3.43Å; D164-S166 PolarHBondContact OD2-N 2.99Å; D164-S166 PolarHBondContact OD2-OG 3.38Å; S166-G170 PolarHBondContact O-N 3.27Å |
| 167 | E | 55.8 | Low | 54 | Low | 99 Ų | 99 | 114.5 Ų | 114.5 | 46% | 0.463 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -73.3 | -45.8 | 177.9 | -167 | 163.3 | -155 | 0 | 0 | 110.2 | L163 D164 L165 L169 G170 E171 | L163-E167 WeakPolarHBondContact CD2-OE2 3.23Å; D164-E167 WeakPolarHBondContact O-CB 3.43Å; D164-E167 PolarHBondContact O-N 3.45Å; L165-E167 VanDerWaalsContact C-N 3.34Å; E167-L169 VanDerWaalsContact C-N 3.33Å; E167-L169 PolarHBondContact O-N 2.97Å; E167-G170 CarbonylContact O-C 3.57Å; E167-G170 WeakPolarHBondContact O-CA 3.34Å; E167-G170 PolarHBondContact O-N 2.87Å; E167-E171 PolarHBondContact O-N 3.46Å |
| 168 | L | 55.2 | Low | 55.4 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 58% | 0.576 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.1 | -37.2 | 173.8 | -178.8 | 63.7 | 0 | 0 | 0 | 113 | D164 W172 | D164-L168 PolarHBondContact O-N 3.03Å; L168-W172 PolarHBondContact O-N 2.82Å |
| 169 | L | 58.2 | Low | 57 | Low | 102 Ų | 102 | 103.4 Ų | 103.4 | 53% | 0.534 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.6 | -37.8 | 172 | -81.8 | 163.9 | 0 | 0 | 0 | 111.8 | L165 E167 W172 Q173 | L165-L169 HydrophobicContact CG-CD1 4.29Å; L165-L169 WeakPolarHBondContact O-CB 3.27Å; L165-L169 WeakPolarHBondContact O-CG 3.46Å; L165-L169 PolarHBondContact O-N 3.14Å; E167-L169 VanDerWaalsContact C-N 3.33Å; E167-L169 PolarHBondContact O-N 2.97Å; L169-W172 PolarHBondContact O-N 3.37Å; L169-Q173 WeakPolarHBondContact O-CB 3.37Å; L169-Q173 PolarHBondContact O-N 3.46Å |
| 170 | G | 64.6 | Low | 59 | Low | 34 Ų | 34 | 103.6 Ų | 103.6 | 35% | 0.351 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.3 | -44.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S166 E167 Q173 H174 | S166-G170 PolarHBondContact O-N 3.27Å; E167-G170 CarbonylContact O-C 3.57Å; E167-G170 WeakPolarHBondContact O-CA 3.34Å; E167-G170 PolarHBondContact O-N 2.87Å; G170-Q173 PolarHBondContact O-N 3.28Å; G170-H174 VanDerWaalsContact O-CB 3.29Å; G170-H174 WeakPolarHBondContact O-CB 3.36Å; G170-H174 PolarHBondContact O-N 3.4Å |
| 171 | E | 54.8 | Low | 60.8 | Low | 126 Ų | 126 | 96.5 Ų | 96.5 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.7 | -44.9 | 174.9 | -72.5 | -166.9 | 146.8 | 0 | 0 | 112 | E167 Q173 H174 D175 | E167-E171 PolarHBondContact O-N 3.46Å; E171-Q173 VanDerWaalsContact C-N 3.33Å; E171-Q173 PolarHBondContact O-N 3.01Å; E171-H174 CarbonylContact O-C 3.53Å; E171-H174 WeakPolarHBondContact O-CA 3.32Å; E171-H174 WeakPolarHBondContact O-CB 3.23Å; E171-H174 PolarHBondContact O-N 3.31Å; E171-H174 VanDerWaalsContact O-N 3.09Å; E171-D175 PolarHBondContact O-N 3.11Å |
| 172 | W | 56.2 | Low | 62.6 | Low | 173 Ų | 173 | 99.3 Ų | 99.3 | 66% | 0.655 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.8 | -42.7 | 175.1 | 177.5 | 76.2 | 0 | 0 | 0 | 112 | L168 L169 H174 D175 C176 | L168-W172 PolarHBondContact O-N 2.82Å; L169-W172 PolarHBondContact O-N 3.37Å; W172-H174 VanDerWaalsContact C-N 3.3Å; W172-H174 PolarHBondContact O-N 3.19Å; W172-D175 PolarHBondContact O-N 2.72Å; W172-C176 PolarHBondContact O-N 3.12Å; W172-C176 PolarHBondContact O-SG 2.91Å; W172-C176 VanDerWaalsContact O-SG 3.41Å |
| 173 | Q | 57 | Low | 63.9 | Low | 135 Ų | 135 | 98.5 Ų | 98.5 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -36.2 | 174.3 | -169.5 | 174.3 | 38.2 | 0 | 0 | 111.5 | L169 G170 E171 L177 | L169-Q173 WeakPolarHBondContact O-CB 3.37Å; L169-Q173 PolarHBondContact O-N 3.46Å; G170-Q173 PolarHBondContact O-N 3.28Å; E171-Q173 VanDerWaalsContact C-N 3.33Å; E171-Q173 PolarHBondContact O-N 3.01Å; Q173-L177 VanDerWaalsContact O-CB 3.22Å; Q173-L177 WeakPolarHBondContact O-CB 3.45Å; Q173-L177 PolarHBondContact O-N 3.16Å |
| 174 | H | 67.9 | Low | 65.4 | Low | 103 Ų | 103 | 95.9 Ų | 95.9 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 175.2 | -163.1 | 92.3 | 0 | 0 | 0 | 111.8 | G170 E171 W172 L177 Q178 | G170-H174 VanDerWaalsContact O-CB 3.29Å; G170-H174 WeakPolarHBondContact O-CB 3.36Å; G170-H174 PolarHBondContact O-N 3.4Å; E171-H174 CarbonylContact O-C 3.53Å; E171-H174 WeakPolarHBondContact O-CA 3.32Å; E171-H174 WeakPolarHBondContact O-CB 3.23Å; E171-H174 PolarHBondContact O-N 3.31Å; E171-H174 VanDerWaalsContact O-N 3.09Å; W172-H174 VanDerWaalsContact C-N 3.3Å; W172-H174 PolarHBondContact O-N 3.19Å; H174-L177 CarbonylContact O-C 3.55Å; H174-L177 PolarHBondContact O-N 3.34Å; H174-Q178 VanDerWaalsContact CD2-CG 3.42Å; H174-Q178 WeakPolarHBondContact CD2-CG 3.48Å; H174-Q178 WeakPolarHBondContact NE2-CG 3.43Å; H174-Q178 PolarHBondContact NE2-NE2 3.32Å; H174-Q178 WeakPolarHBondContact O-CB 3.21Å; H174-Q178 VanDerWaalsContact O-CG 3.25Å; H174-Q178 WeakPolarHBondContact O-CG 3.49Å; H174-Q178 PolarHBondContact O-N 3.32Å |
| 175 | D | 64.2 | Low | 66.7 | Low | 113 Ų | 113 | 98.7 Ų | 98.7 | 60% | 0.604 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.6 | -39.1 | 178.5 | -102.4 | 1.8 | 0 | 0 | 0 | 112.5 | E171 W172 T179 | E171-D175 PolarHBondContact O-N 3.11Å; W172-D175 PolarHBondContact O-N 2.72Å; D175-T179 VanDerWaalsContact O-CB 3.23Å; D175-T179 WeakPolarHBondContact O-CB 3.22Å; D175-T179 PolarHBondContact O-N 3.49Å; D175-T179 PolarHBondContact O-OG1 3.1Å |
| 176 | C | 64.1 | Low | 68.1 | Low | 62 Ų | 62 | 98.3 Ų | 98.3 | 42% | 0.419 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 169.8 | -72.8 | 0 | 0 | 0 | 0 | 111.1 | W172 T179 L180 | W172-C176 PolarHBondContact O-N 3.12Å; W172-C176 PolarHBondContact O-SG 2.91Å; W172-C176 VanDerWaalsContact O-SG 3.41Å; C176-T179 PolarHBondContact O-N 3.28Å; C176-L180 WeakPolarHBondContact O-CB 3.48Å; C176-L180 PolarHBondContact O-N 3.46Å |
| 177 | L | 74.9 | Confident | 69 | Low | 91 Ų | 91 | 101.8 Ų | 101.8 | 48% | 0.476 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 178.7 | -177.6 | 60.7 | 0 | 0 | 0 | 112.4 | Q173 H174 L180 L181 | Q173-L177 VanDerWaalsContact O-CB 3.22Å; Q173-L177 WeakPolarHBondContact O-CB 3.45Å; Q173-L177 PolarHBondContact O-N 3.16Å; H174-L177 CarbonylContact O-C 3.55Å; H174-L177 PolarHBondContact O-N 3.34Å; L177-L180 PolarHBondContact O-N 3.31Å; L177-L181 HydrophobicContact CD1-CD1 4.25Å; L177-L181 HydrophobicContact CD1-CG 4.21Å; L177-L181 HydrophobicContact CG-CD1 3.93Å; L177-L181 HydrophobicContact CG-CG 4.33Å; L177-L181 VanDerWaalsContact O-CB 3.27Å; L177-L181 WeakPolarHBondContact O-CB 3.4Å; L177-L181 WeakPolarHBondContact O-CG 3.28Å; L177-L181 PolarHBondContact O-N 2.93Å |
| 178 | Q | 75.4 | Confident | 69.9 | Low | 72 Ų | 72 | 101.9 Ų | 101.9 | 34% | 0.336 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.3 | -36.8 | 176.9 | -72.4 | -70.5 | 6.1 | 0 | 0 | 111.7 | H174 L180 L181 R182 | H174-Q178 VanDerWaalsContact CD2-CG 3.42Å; H174-Q178 WeakPolarHBondContact CD2-CG 3.48Å; H174-Q178 WeakPolarHBondContact NE2-CG 3.43Å; H174-Q178 PolarHBondContact NE2-NE2 3.32Å; H174-Q178 WeakPolarHBondContact O-CB 3.21Å; H174-Q178 VanDerWaalsContact O-CG 3.25Å; H174-Q178 WeakPolarHBondContact O-CG 3.49Å; H174-Q178 PolarHBondContact O-N 3.32Å; Q178-L180 VanDerWaalsContact C-N 3.34Å; Q178-L181 PolarHBondContact O-N 3Å; Q178-R182 VanDerWaalsContact O-CB 3.23Å; Q178-R182 WeakPolarHBondContact O-CB 3.4Å; Q178-R182 PolarHBondContact O-N 3.5Å |
| 179 | T | 77.6 | Confident | 70.9 | Confident | 68 Ų | 68 | 100.6 Ų | 100.6 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 172.6 | -67.3 | 0 | 0 | 0 | 0 | 111.1 | D175 C176 R182 D183 | D175-T179 VanDerWaalsContact O-CB 3.23Å; D175-T179 WeakPolarHBondContact O-CB 3.22Å; D175-T179 PolarHBondContact O-N 3.49Å; D175-T179 PolarHBondContact O-OG1 3.1Å; C176-T179 PolarHBondContact O-N 3.28Å; T179-R182 PolarHBondContact O-N 2.85Å; T179-R182 PolarHBondContact OG1-NH2 3.03Å; T179-D183 PolarHBondContact O-N 2.92Å |
| 180 | L | 79.8 | Confident | 71.1 | Confident | 98 Ų | 98 | 99.3 Ų | 99.3 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71 | -37.5 | 177.3 | -172.9 | 144.5 | 0 | 0 | 0 | 112.3 | C176 L177 Q178 D183 I184 | C176-L180 WeakPolarHBondContact O-CB 3.48Å; C176-L180 PolarHBondContact O-N 3.46Å; L177-L180 PolarHBondContact O-N 3.31Å; Q178-L180 VanDerWaalsContact C-N 3.34Å; L180-D183 PolarHBondContact O-N 2.95Å; L180-I184 HydrophobicContact CD2-CD1 3.57Å; L180-I184 HydrophobicContact CD2-CG1 4.46Å; L180-I184 HydrophobicContact CG-CD1 4.44Å; L180-I184 WeakPolarHBondContact O-CB 3.37Å; L180-I184 VanDerWaalsContact O-CG1 3.29Å; L180-I184 WeakPolarHBondContact O-CG1 3.37Å; L180-I184 PolarHBondContact O-N 3.3Å |
| 181 | L | 84.8 | Confident | 70.9 | Confident | 61 Ų | 61 | 104.1 Ų | 104.1 | 32% | 0.319 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.7 | -32.2 | 172.7 | -75.3 | 172.2 | 0 | 0 | 0 | 112.5 | L177 Q178 R185 | L177-L181 HydrophobicContact CD1-CD1 4.25Å; L177-L181 HydrophobicContact CD1-CG 4.21Å; L177-L181 HydrophobicContact CG-CD1 3.93Å; L177-L181 HydrophobicContact CG-CG 4.33Å; L177-L181 VanDerWaalsContact O-CB 3.27Å; L177-L181 WeakPolarHBondContact O-CB 3.4Å; L177-L181 WeakPolarHBondContact O-CG 3.28Å; L177-L181 PolarHBondContact O-N 2.93Å; Q178-L181 PolarHBondContact O-N 3Å; L181-R185 WeakPolarHBondContact O-CB 3.44Å; L181-R185 WeakPolarHBondContact O-CD 3.38Å; L181-R185 WeakPolarHBondContact O-CG 3.49Å; L181-R185 PolarHBondContact O-N 3.06Å |
| 182 | R | 78.9 | Confident | 71.1 | Confident | 136 Ų | 136 | 107.1 Ų | 107.1 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -51.3 | 171.2 | 171.4 | 175.9 | 54.9 | -154.9 | -9.7 | 110.5 | Q178 T179 I184 R185 E186 | Q178-R182 VanDerWaalsContact O-CB 3.23Å; Q178-R182 WeakPolarHBondContact O-CB 3.4Å; Q178-R182 PolarHBondContact O-N 3.5Å; T179-R182 PolarHBondContact O-N 2.85Å; T179-R182 PolarHBondContact OG1-NH2 3.03Å; R182-I184 VanDerWaalsContact C-N 3.33Å; R182-I184 PolarHBondContact O-N 2.95Å; R182-R185 CarbonylContact O-C 3.56Å; R182-R185 PolarHBondContact O-N 3.05Å; R182-R185 VanDerWaalsContact O-N 3.07Å; R182-E186 HydrophobicContact CG-CG 4.47Å; R182-E186 WeakPolarHBondContact CG-OE1 3.14Å; R182-E186 WeakPolarHBondContact O-CB 3.34Å; R182-E186 WeakPolarHBondContact O-CG 3.4Å; R182-E186 PolarHBondContact O-N 2.76Å |
| 183 | D | 73.6 | Confident | 71 | Confident | 64 Ų | 64 | 104.7 Ų | 104.7 | 34% | 0.342 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -41.9 | 177.3 | -179.5 | 75.2 | 0 | 0 | 0 | 111.7 | T179 L180 E186 R187 | T179-D183 PolarHBondContact O-N 2.92Å; L180-D183 PolarHBondContact O-N 2.95Å; D183-E186 PolarHBondContact O-N 3.03Å; D183-R187 VanDerWaalsContact CG-NE 3.32Å; D183-R187 VanDerWaalsContact CG-NH2 3.32Å; D183-R187 WeakPolarHBondContact O-CB 3.48Å; D183-R187 VanDerWaalsContact O-CG 3.23Å; D183-R187 WeakPolarHBondContact O-CG 3.3Å; D183-R187 PolarHBondContact O-N 3.5Å; D183-R187 IonicContact OD1-CZ 3.79Å; D183-R187 IonicContact OD1-NE 3.21Å; D183-R187 PolarHBondContact OD1-NE 3.15Å; D183-R187 IonicContact OD1-NH2 2.71Å; D183-R187 PolarHBondContact OD1-NH2 2.85Å; D183-R187 IonicContact OD2-CZ 2.72Å; D183-R187 IonicContact OD2-NE 3.97Å; D183-R187 PolarHBondContact OD2-NE 3.45Å; D183-R187 IonicContact OD2-NH2 3.72Å; D183-R187 PolarHBondContact OD2-NH2 3.49Å; D183-R187 VanDerWaalsContact OD2-NH2 3.1Å |
| 184 | I | 79.9 | Confident | 70.7 | Confident | 74 Ų | 74 | 103.5 Ų | 103.5 | 38% | 0.379 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | -43 | 171.6 | -71.8 | 174.6 | 0 | 0 | 0 | 111.9 | L180 R182 R187 L188 | L180-I184 HydrophobicContact CD2-CD1 3.57Å; L180-I184 HydrophobicContact CD2-CG1 4.46Å; L180-I184 HydrophobicContact CG-CD1 4.44Å; L180-I184 WeakPolarHBondContact O-CB 3.37Å; L180-I184 VanDerWaalsContact O-CG1 3.29Å; L180-I184 WeakPolarHBondContact O-CG1 3.37Å; L180-I184 PolarHBondContact O-N 3.3Å; R182-I184 VanDerWaalsContact C-N 3.33Å; R182-I184 PolarHBondContact O-N 2.95Å; I184-R187 PolarHBondContact O-N 3.39Å; I184-L188 HydrophobicContact CG2-CD1 3.76Å; I184-L188 HydrophobicContact CG2-CG 4.28Å; I184-L188 WeakPolarHBondContact O-CB 3.24Å; I184-L188 VanDerWaalsContact O-CG 3.26Å; I184-L188 WeakPolarHBondContact O-CG 3.19Å; I184-L188 PolarHBondContact O-N 2.93Å |
| 185 | R | 80.4 | Confident | 69.6 | Low | 155 Ų | 155 | 109.1 Ų | 109.1 | 59% | 0.585 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.9 | -40.1 | 177.3 | -81.4 | 170 | 175.4 | 169.8 | 0.2 | 112 | L181 R182 L188 L189 | L181-R185 WeakPolarHBondContact O-CB 3.44Å; L181-R185 WeakPolarHBondContact O-CD 3.38Å; L181-R185 WeakPolarHBondContact O-CG 3.49Å; L181-R185 PolarHBondContact O-N 3.06Å; R182-R185 CarbonylContact O-C 3.56Å; R182-R185 PolarHBondContact O-N 3.05Å; R182-R185 VanDerWaalsContact O-N 3.07Å; R185-L188 PolarHBondContact O-N 3Å; R185-L189 VanDerWaalsContact O-CB 3.31Å; R185-L189 WeakPolarHBondContact O-CB 3.45Å; R185-L189 WeakPolarHBondContact O-CG 3.44Å; R185-L189 PolarHBondContact O-N 3.45Å |
| 186 | E | 76.3 | Confident | 68.6 | Low | 114 Ų | 114 | 109.8 Ų | 109.8 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 176 | -74.5 | 173.5 | -159.6 | 0 | 0 | 110.9 | R182 D183 L188 L189 A190 | R182-E186 HydrophobicContact CG-CG 4.47Å; R182-E186 WeakPolarHBondContact CG-OE1 3.14Å; R182-E186 WeakPolarHBondContact O-CB 3.34Å; R182-E186 WeakPolarHBondContact O-CG 3.4Å; R182-E186 PolarHBondContact O-N 2.76Å; D183-E186 PolarHBondContact O-N 3.03Å; E186-L188 PolarHBondContact O-N 3.06Å; E186-L189 PolarHBondContact O-N 2.96Å; E186-A190 WeakPolarHBondContact O-CB 3.45Å; E186-A190 PolarHBondContact O-N 3.42Å |
| 187 | R | 68.8 | Low | 67.3 | Low | 147 Ų | 147 | 111.1 Ų | 111.1 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.5 | -42.6 | 171.8 | -69.1 | 171 | -160.8 | -71.5 | -13.9 | 112.5 | D183 I184 A190 L191 | D183-R187 VanDerWaalsContact CG-NE 3.32Å; D183-R187 VanDerWaalsContact CG-NH2 3.32Å; D183-R187 WeakPolarHBondContact O-CB 3.48Å; D183-R187 VanDerWaalsContact O-CG 3.23Å; D183-R187 WeakPolarHBondContact O-CG 3.3Å; D183-R187 PolarHBondContact O-N 3.5Å; D183-R187 IonicContact OD1-CZ 3.79Å; D183-R187 IonicContact OD1-NE 3.21Å; D183-R187 PolarHBondContact OD1-NE 3.15Å; D183-R187 IonicContact OD1-NH2 2.71Å; D183-R187 PolarHBondContact OD1-NH2 2.85Å; D183-R187 IonicContact OD2-CZ 2.72Å; D183-R187 IonicContact OD2-NE 3.97Å; D183-R187 PolarHBondContact OD2-NE 3.45Å; D183-R187 IonicContact OD2-NH2 3.72Å; D183-R187 PolarHBondContact OD2-NH2 3.49Å; D183-R187 VanDerWaalsContact OD2-NH2 3.1Å; I184-R187 PolarHBondContact O-N 3.39Å; R187-A190 PolarHBondContact O-N 2.93Å; R187-L191 WeakPolarHBondContact O-CB 3.34Å; R187-L191 WeakPolarHBondContact O-CG 3.29Å; R187-L191 PolarHBondContact O-N 2.98Å |
| 188 | L | 76.3 | Confident | 65.8 | Low | 101 Ų | 101 | 114.1 Ų | 114.1 | 53% | 0.529 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.9 | -32.8 | 176.5 | -73.3 | 172.8 | 0 | 0 | 0 | 112.7 | I184 R185 E186 L191 R192 | I184-L188 HydrophobicContact CG2-CD1 3.76Å; I184-L188 HydrophobicContact CG2-CG 4.28Å; I184-L188 WeakPolarHBondContact O-CB 3.24Å; I184-L188 VanDerWaalsContact O-CG 3.26Å; I184-L188 WeakPolarHBondContact O-CG 3.19Å; I184-L188 PolarHBondContact O-N 2.93Å; R185-L188 PolarHBondContact O-N 3Å; E186-L188 PolarHBondContact O-N 3.06Å; L188-L191 HydrophobicContact CD2-CD1 4.33Å; L188-L191 PolarHBondContact O-N 3.06Å; L188-R192 VanDerWaalsContact O-CB 3.28Å; L188-R192 WeakPolarHBondContact O-CB 3.23Å; L188-R192 PolarHBondContact O-N 3.06Å |
| 189 | L | 74.8 | Confident | 64.3 | Low | 84 Ų | 84 | 116.1 Ų | 116.1 | 44% | 0.44 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -74.1 | -35.7 | 174.1 | -74.4 | 168.2 | 0 | 0 | 0 | 111.9 | R185 E186 L191 R192 N193 | R185-L189 VanDerWaalsContact O-CB 3.31Å; R185-L189 WeakPolarHBondContact O-CB 3.45Å; R185-L189 WeakPolarHBondContact O-CG 3.44Å; R185-L189 PolarHBondContact O-N 3.45Å; E186-L189 PolarHBondContact O-N 2.96Å; L189-L191 VanDerWaalsContact C-N 3.33Å; L189-R192 CarbonylContact O-C 3.59Å; L189-R192 PolarHBondContact O-N 2.68Å; L189-N193 PolarHBondContact O-N 3.04Å |
| 190 | A | 63.2 | Low | 62.6 | Low | 74 Ų | 74 | 118.6 Ų | 118.6 | 61% | 0.612 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.7 | -39.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E186 R187 | E186-A190 WeakPolarHBondContact O-CB 3.45Å; E186-A190 PolarHBondContact O-N 3.42Å; R187-A190 PolarHBondContact O-N 2.93Å |
| 191 | L | 60.2 | Low | 60.5 | Low | 136 Ų | 136 | 122.1 Ų | 122.1 | 71% | 0.712 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.8 | -30.5 | 171.6 | -74.5 | 162.5 | 0 | 0 | 0 | 113.2 | R187 L188 L189 | R187-L191 WeakPolarHBondContact O-CB 3.34Å; R187-L191 WeakPolarHBondContact O-CG 3.29Å; R187-L191 PolarHBondContact O-N 2.98Å; L188-L191 HydrophobicContact CD2-CD1 4.33Å; L188-L191 PolarHBondContact O-N 3.06Å; L189-L191 VanDerWaalsContact C-N 3.33Å |
| 192 | R | 59.9 | Low | 58.6 | Low | 188 Ų | 188 | 124.9 Ų | 124.9 | 71% | 0.709 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -89.2 | -6.4 | -178.5 | -153.3 | -179.4 | 75.5 | 174.5 | 3.4 | 114.3 | L188 L189 P194 | L188-R192 VanDerWaalsContact O-CB 3.28Å; L188-R192 WeakPolarHBondContact O-CB 3.23Å; L188-R192 PolarHBondContact O-N 3.06Å; L189-R192 CarbonylContact O-C 3.59Å; L189-R192 PolarHBondContact O-N 2.68Å; R192-P194 WeakPolarHBondContact O-CD 3.33Å |
| 193 | N | 54.2 | Low | 56.9 | Low | 123 Ų | 123 | 122.2 Ų | 122.2 | 66% | 0.658 | 65% | 0.646 | S | S | * | * | trans | -109.9 | 72.3 | 170.6 | -81.4 | -22.4 | 0 | 0 | 0 | 110.7 | L189 R195 | L189-N193 PolarHBondContact O-N 3.04Å; N193-R195 VanDerWaalsContact C-N 3.3Å; N193-R195 PolarHBondContact O-N 3.01Å | ||
| 194 | P | 48.9 | Very low | 55.8 | Low | 109 Ų | 109 | 123.2 Ų | 123.2 | 71% | 0.708 | 66% | 0.656 | S | S | * | * | trans | -67.3 | 91.7 | 168.4 | 30.3 | -33.8 | 0 | 0 | 0 | 108.7 | R192 P196 | R192-P194 WeakPolarHBondContact O-CD 3.33Å; P194-P196 WeakPolarHBondContact O-CD 3.38Å | ||
| 195 | R | 45.1 | Very low | 54.7 | Low | 221 Ų | 221 | 126.6 Ų | 126.6 | 83% | 0.834 | 68% | 0.683 | S | S | * | * | trans | -61.8 | 117.4 | 174.8 | -169.1 | 177.4 | -168.7 | 165.7 | 2.8 | 107.9 | N193 S197 | N193-R195 VanDerWaalsContact C-N 3.3Å; N193-R195 PolarHBondContact O-N 3.01Å; R195-S197 PolarHBondContact O-N 3.07Å | ||
| 196 | P | 43.5 | Very low | 53.4 | Low | 128 Ų | 128 | 124 Ų | 124 | 83% | 0.831 | 69% | 0.689 | S | S | * | * | trans | -70.6 | 104.8 | -178.3 | 27.9 | -33 | 0 | 0 | 0 | 108.7 | P194 | P194-P196 WeakPolarHBondContact O-CD 3.38Š| ||
| 197 | S | 38 | Very low | 51.9 | Low | 89 Ų | 89 | 121 Ų | 121 | 62% | 0.622 | 68% | 0.68 | S | S | * | * | trans | -149.4 | 118 | 175.4 | -65 | 0 | 0 | 0 | 0 | 108.1 | R195 S199 | R195-S197 PolarHBondContact O-N 3.07Å; S197-S199 PolarHBondContact O-N 3.17Å | ||
| 198 | T | 43 | Very low | 51.3 | Low | 155 Ų | 155 | 117.6 Ų | 117.6 | 95% | 0.951 | 68% | 0.676 | S | S | * | * | trans | -77.8 | 85.2 | -171.3 | 45.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 199 | S | 42.7 | Very low | 50.6 | Low | 113 Ų | 113 | 121 Ų | 121 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -150.1 | 158.3 | 165 | -167.9 | 0 | 0 | 0 | 0 | 111.1 | S197 H201 | S197-S199 PolarHBondContact O-N 3.17Å; S199-H201 PolarHBondContact O-N 3.02Å |
| 200 | T | 42.2 | Very low | 49.6 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 74% | 0.742 | 70% | 0.696 | S | S | * | * | trans | -61.2 | 131.2 | -170.5 | 42.9 | 0 | 0 | 0 | 0 | 113.3 | T202 | T200-T202 PolarHBondContact O-N 3.42Š| ||
| 201 | H | 36.6 | Very low | 49.8 | Very low | 171 Ų | 171 | 124.9 Ų | 124.9 | 79% | 0.792 | 68% | 0.678 | S | S | * | * | trans | -60.7 | 96.2 | 179.3 | 176.5 | -67.3 | 0 | 0 | 0 | 112 | S199 | S199-H201 PolarHBondContact O-N 3.02Š| ||
| 202 | T | 44.2 | Very low | 50.2 | Low | 119 Ų | 119 | 123.2 Ų | 123.2 | 73% | 0.73 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 119.4 | 168.4 | -55.9 | 0 | 0 | 0 | 0 | 108.5 | T200 | T200-T202 PolarHBondContact O-N 3.42Š|
| 203 | P | 43.6 | Very low | 50.7 | Low | 80 Ų | 80 | 115.9 Ų | 115.9 | 52% | 0.519 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 151.5 | 178.9 | 29.2 | -34.6 | 0 | 0 | 0 | 111.5 | ||
| 204 | P | 51 | Low | 51.4 | Low | 85 Ų | 85 | 116.8 Ų | 116.8 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 146.9 | -177.8 | 26.7 | -34.6 | 0 | 0 | 0 | 112.3 | S206 C207 | P204-S206 PolarHBondContact O-N 3.34Å; P204-C207 HydrophobicContact CG-CB 4.42Å; P204-C207 PolarHBondContact O-N 3.14Å; P204-C207 VanDerWaalsContact O-N 3.16Å |
| 205 | P | 55 | Low | 52.6 | Low | 146 Ų | 146 | 116.8 Ų | 116.8 | 95% | 0.948 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 9.3 | -163.5 | 30.4 | -38.2 | 0 | 0 | 0 | 116 | ||
| 206 | S | 53.1 | Low | 54 | Low | 99 Ų | 99 | 114 Ų | 114 | 69% | 0.692 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.3 | 6.1 | 176.9 | 58.9 | 0 | 0 | 0 | 0 | 114 | P204 T208 | P204-S206 PolarHBondContact O-N 3.34Å; S206-T208 PolarHBondContact O-N 3.11Å; S206-T208 VanDerWaalsContact O-N 3.13Å |
| 207 | C | 44.8 | Very low | 55.2 | Low | 53 Ų | 53 | 114.4 Ų | 114.4 | 36% | 0.358 | 61% | 0.611 | S | S | . | * | trans | -74 | 101.6 | 168.2 | -169.1 | 0 | 0 | 0 | 0 | 108.5 | P204 | P204-C207 HydrophobicContact CG-CB 4.42Å; P204-C207 PolarHBondContact O-N 3.14Å; P204-C207 VanDerWaalsContact O-N 3.16Å | ||
| 208 | T | 58.2 | Low | 56.7 | Low | 75 Ų | 75 | 118.9 Ų | 118.9 | 46% | 0.46 | 62% | 0.62 | S | S | . | * | trans | -69.1 | 156.2 | 177.1 | 72.2 | 0 | 0 | 0 | 0 | 109.3 | S206 W210 D211 L212 | S206-T208 PolarHBondContact O-N 3.11Å; S206-T208 VanDerWaalsContact O-N 3.13Å; T208-W210 PolarHBondContact O-N 3.31Å; T208-W210 VanDerWaalsContact O-N 3.11Å; T208-W210 VanDerWaalsContact OG1-CB 3.23Å; T208-W210 WeakPolarHBondContact OG1-CB 3.25Å; T208-W210 PolarHBondContact OG1-N 3.22Å; T208-D211 WeakPolarHBondContact CB-OD2 3.47Å; T208-D211 PolarHBondContact N-OD2 2.79Å; T208-D211 WeakPolarHBondContact O-CB 3.4Å; T208-D211 PolarHBondContact O-N 3.4Å; T208-D211 PolarHBondContact OG1-N 2.88Å; T208-D211 PolarHBondContact OG1-OD2 2.72Å; T208-L212 PolarHBondContact O-N 2.71Å | ||
| 209 | R | 60.5 | Low | 57.8 | Low | 173 Ų | 173 | 115.3 Ų | 115.3 | 65% | 0.653 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -56.6 | -29 | 172 | -177.9 | 170.1 | 168.8 | 174.2 | -4.1 | 111.9 | D211 L212 D213 | R209-D211 VanDerWaalsContact C-N 3.34Å; R209-D211 PolarHBondContact O-N 3.4Å; R209-L212 PolarHBondContact O-N 2.82Å; R209-D213 IonicContact NE-OD2 3.8Å; R209-D213 WeakPolarHBondContact O-CB 3.48Å; R209-D213 PolarHBondContact O-N 2.89Å |
| 210 | W | 53.8 | Low | 59.6 | Low | 196 Ų | 196 | 116 Ų | 116 | 74% | 0.742 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.7 | -35.4 | 171.7 | -118.2 | 87.9 | 0 | 0 | 0 | 113.6 | T208 R214 | T208-W210 PolarHBondContact O-N 3.31Å; T208-W210 VanDerWaalsContact O-N 3.11Å; T208-W210 VanDerWaalsContact OG1-CB 3.23Å; T208-W210 WeakPolarHBondContact OG1-CB 3.25Å; T208-W210 PolarHBondContact OG1-N 3.22Å; W210-R214 WeakPolarHBondContact O-CB 3.42Å; W210-R214 PolarHBondContact O-N 2.7Å |
| 211 | D | 67.1 | Low | 61 | Low | 43 Ų | 43 | 115.7 Ų | 115.7 | 23% | 0.23 | 60% | 0.604 | C | S | . | * | H | α-helix | trans | -70.5 | -38.9 | 177.1 | -66.1 | -71.8 | 0 | 0 | 0 | 112 | T208 R209 R214 V215 | T208-D211 WeakPolarHBondContact CB-OD2 3.47Å; T208-D211 PolarHBondContact N-OD2 2.79Å; T208-D211 WeakPolarHBondContact O-CB 3.4Å; T208-D211 PolarHBondContact O-N 3.4Å; T208-D211 PolarHBondContact OG1-N 2.88Å; T208-D211 PolarHBondContact OG1-OD2 2.72Å; R209-D211 VanDerWaalsContact C-N 3.34Å; R209-D211 PolarHBondContact O-N 3.4Å; D211-R214 IonicContact OD1-CZ 2.73Å; D211-R214 VanDerWaalsContact OD1-CZ 3.24Å; D211-R214 IonicContact OD1-NH1 2.72Å; D211-R214 PolarHBondContact OD1-NH1 2.64Å; D211-R214 IonicContact OD1-NH2 3.36Å; D211-R214 PolarHBondContact OD1-NH2 3.07Å; D211-V215 WeakPolarHBondContact O-CG2 3.35Å; D211-V215 PolarHBondContact O-N 2.61Å |
| 212 | L | 69.3 | Low | 62.8 | Low | 100 Ų | 100 | 112.9 Ų | 112.9 | 52% | 0.524 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.8 | -45.4 | 173.7 | -61.4 | 177.1 | 0 | 0 | 0 | 111.4 | T208 R209 V215 R216 | T208-L212 PolarHBondContact O-N 2.71Å; R209-L212 PolarHBondContact O-N 2.82Å; L212-V215 PolarHBondContact O-N 3.32Å; L212-R216 WeakPolarHBondContact O-CB 3.47Å; L212-R216 PolarHBondContact O-N 2.85Å |
| 213 | D | 70.4 | Confident | 64.2 | Low | 34 Ų | 34 | 115.8 Ų | 115.8 | 18% | 0.182 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -69.4 | -35.2 | 179.1 | -73.4 | -34 | 0 | 0 | 0 | 111.6 | R209 V215 R216 Y217 | R209-D213 IonicContact NE-OD2 3.8Å; R209-D213 WeakPolarHBondContact O-CB 3.48Å; R209-D213 PolarHBondContact O-N 2.89Å; D213-V215 VanDerWaalsContact C-N 3.28Å; D213-V215 PolarHBondContact O-N 3.14Å; D213-R216 PolarHBondContact O-N 3.41Å; D213-R216 IonicContact OD1-CZ 3.56Å; D213-R216 IonicContact OD1-NE 4Å; D213-R216 IonicContact OD1-NH1 2.7Å; D213-R216 PolarHBondContact OD1-NH1 3.21Å; D213-Y217 HydrophobicContact CB-CD2 4.02Å; D213-Y217 HydrophobicContact CB-CE2 3.9Å; D213-Y217 WeakPolarHBondContact O-CD2 3.3Å; D213-Y217 PolarHBondContact O-N 2.95Å |
| 214 | R | 69.3 | Low | 65.7 | Low | 143 Ų | 143 | 117.5 Ų | 117.5 | 54% | 0.54 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.8 | -26.6 | 173.5 | -169.3 | -178.8 | 71.3 | -111.4 | -5.6 | 113.3 | W210 D211 | W210-R214 WeakPolarHBondContact O-CB 3.42Å; W210-R214 PolarHBondContact O-N 2.7Å; D211-R214 IonicContact OD1-CZ 2.73Å; D211-R214 VanDerWaalsContact OD1-CZ 3.24Å; D211-R214 IonicContact OD1-NH1 2.72Å; D211-R214 PolarHBondContact OD1-NH1 2.64Å; D211-R214 IonicContact OD1-NH2 3.36Å; D211-R214 PolarHBondContact OD1-NH2 3.07Å |
| 215 | V | 72.6 | Confident | 66.8 | Low | 109 Ų | 109 | 116.5 Ų | 116.5 | 66% | 0.661 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -79.6 | -42.5 | 169.7 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | D211 L212 D213 K218 | D211-V215 WeakPolarHBondContact O-CG2 3.35Å; D211-V215 PolarHBondContact O-N 2.61Å; L212-V215 PolarHBondContact O-N 3.32Å; D213-V215 VanDerWaalsContact C-N 3.28Å; D213-V215 PolarHBondContact O-N 3.14Å; V215-K218 WeakPolarHBondContact O-CB 3.4Å; V215-K218 PolarHBondContact O-N 3.29Å |
| 216 | R | 75.6 | Confident | 67.9 | Low | 162 Ų | 162 | 112.8 Ų | 112.8 | 61% | 0.611 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.3 | -43.6 | -179.3 | 178.4 | -179.5 | -69.7 | 156.5 | -5.4 | 113.5 | L212 D213 K218 | L212-R216 WeakPolarHBondContact O-CB 3.47Å; L212-R216 PolarHBondContact O-N 2.85Å; D213-R216 PolarHBondContact O-N 3.41Å; D213-R216 IonicContact OD1-CZ 3.56Å; D213-R216 IonicContact OD1-NE 4Å; D213-R216 IonicContact OD1-NH1 2.7Å; D213-R216 PolarHBondContact OD1-NH1 3.21Å; R216-K218 VanDerWaalsContact C-N 3.34Å |
| 217 | Y | 69 | Low | 68.8 | Low | 136 Ų | 136 | 111.5 Ų | 111.5 | 53% | 0.533 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.6 | 14.9 | -176.6 | -57.7 | -60.8 | 0 | 0 | 0 | 113.2 | D213 G219 E220 | D213-Y217 HydrophobicContact CB-CD2 4.02Å; D213-Y217 HydrophobicContact CB-CE2 3.9Å; D213-Y217 WeakPolarHBondContact O-CD2 3.3Å; D213-Y217 PolarHBondContact O-N 2.95Å; Y217-G219 PolarHBondContact O-N 3.49Å; Y217-E220 HydrophobicContact CD1-CG 3.97Å; Y217-E220 PolarHBondContact O-N 3.39Å |
| 218 | K | 69.1 | Low | 70.2 | Confident | 184 Ų | 184 | 117 Ų | 117 | 80% | 0.8 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 85.6 | 180 | -170.3 | -167.3 | 175.2 | -171.5 | 0 | 111.3 | V215 R216 | V215-K218 WeakPolarHBondContact O-CB 3.4Å; V215-K218 PolarHBondContact O-N 3.29Å; R216-K218 VanDerWaalsContact C-N 3.34Å |
| 219 | G | 66.2 | Low | 70.7 | Confident | 80 Ų | 80 | 119.3 Ų | 119.3 | 83% | 0.825 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.7 | -9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y217 | Y217-G219 PolarHBondContact O-N 3.49Š|
| 220 | E | 79.9 | Confident | 71.2 | Confident | 128 Ų | 128 | 117 Ų | 117 | 60% | 0.598 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -64.9 | 150 | 167.3 | -69 | -61.1 | 149.2 | 0 | 0 | 110.9 | Y217 S222 | Y217-E220 HydrophobicContact CD1-CG 3.97Å; Y217-E220 PolarHBondContact O-N 3.39Å; E220-S222 PolarHBondContact O-N 2.93Å |
| 221 | P | 71.8 | Confident | 72.1 | Confident | 114 Ų | 114 | 114 Ų | 114 | 74% | 0.74 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 128.3 | 177.2 | 27.3 | -33.8 | 0 | 0 | 0 | 111.1 | F223 | P221-F223 PolarHBondContact O-N 3.45Š|
| 222 | S | 75.4 | Confident | 72 | Confident | 111 Ų | 111 | 118.7 Ų | 118.7 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 131.3 | 175.8 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | E220 S224 | E220-S222 PolarHBondContact O-N 2.93Å; S222-S224 PolarHBondContact O-N 3.26Å |
| 223 | F | 72.7 | Confident | 71.7 | Confident | 181 Ų | 181 | 117.2 Ų | 117.2 | 79% | 0.794 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -72 | 119.8 | 172.2 | 65.7 | -87.6 | 0 | 0 | 0 | 110 | P221 V225 | P221-F223 PolarHBondContact O-N 3.45Å; F223-V225 HydrophobicContact CD2-CG2 3.84Å; F223-V225 HydrophobicContact CE2-CG2 3.81Å |
| 224 | S | 74.3 | Confident | 71.2 | Confident | 116 Ų | 116 | 121.4 Ų | 121.4 | 81% | 0.811 | 65% | 0.651 | S | S | * | * | trans | -86.2 | 114.6 | 176.1 | -70.3 | 0 | 0 | 0 | 0 | 110.7 | S222 P226 | S222-S224 PolarHBondContact O-N 3.26Å; S224-P226 WeakPolarHBondContact O-CD 3.42Å | ||
| 225 | V | 75.3 | Confident | 70.7 | Confident | 63 Ų | 63 | 122.8 Ų | 122.8 | 38% | 0.382 | 66% | 0.663 | S | S | . | * | trans | -85.7 | 121.2 | 168.6 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | F223 A227 L229 L230 | F223-V225 HydrophobicContact CD2-CG2 3.84Å; F223-V225 HydrophobicContact CE2-CG2 3.81Å; V225-A227 PolarHBondContact O-N 3.06Å; V225-L229 HydrophobicContact CG1-CB 3.98Å; V225-L229 HydrophobicContact CG1-CD1 4.5Å; V225-L230 HydrophobicContact CB-CD2 4.4Å; V225-L230 HydrophobicContact CG1-CD2 3.82Å; V225-L230 HydrophobicContact CG1-CG 3.99Å | ||
| 226 | P | 78.8 | Confident | 69.7 | Low | 69 Ų | 69 | 121 Ų | 121 | 45% | 0.448 | 66% | 0.655 | S | S | . | * | trans | -59.2 | 131.7 | 174.5 | -24.8 | 34.8 | 0 | 0 | 0 | 111.1 | S224 K228 L229 | S224-P226 WeakPolarHBondContact O-CD 3.42Å; P226-K228 HydrophobicContact CB-CG 4.09Å; P226-K228 PolarHBondContact O-N 3.41Å; P226-L229 PolarHBondContact O-N 3.48Å | ||
| 227 | A | 70.8 | Confident | 68.5 | Low | 72 Ų | 72 | 122.5 Ų | 122.5 | 60% | 0.595 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -52.4 | -31.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V225 L229 L230 L231 | V225-A227 PolarHBondContact O-N 3.06Å; A227-L229 PolarHBondContact O-N 3.23Å; A227-L230 WeakPolarHBondContact O-CA 3.42Å; A227-L230 WeakPolarHBondContact O-CB 3.23Å; A227-L230 PolarHBondContact O-N 3.41Å; A227-L231 PolarHBondContact O-N 3.48Å |
| 228 | K | 73.6 | Confident | 67.5 | Low | 167 Ų | 167 | 124.6 Ų | 124.6 | 73% | 0.726 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -60.4 | -10.7 | 173.4 | 66.4 | 174.8 | -178.3 | 176.6 | 0 | 115.9 | P226 | P226-K228 HydrophobicContact CB-CG 4.09Å; P226-K228 PolarHBondContact O-N 3.41Å |
| 229 | L | 68.6 | Low | 66.6 | Low | 125 Ų | 125 | 124 Ų | 124 | 65% | 0.654 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -102.1 | -2.4 | 172.6 | -56.4 | -177.3 | 0 | 0 | 0 | 112.7 | V225 P226 A227 | V225-L229 HydrophobicContact CG1-CB 3.98Å; V225-L229 HydrophobicContact CG1-CD1 4.5Å; P226-L229 PolarHBondContact O-N 3.48Å; A227-L229 PolarHBondContact O-N 3.23Å |
| 230 | L | 72.8 | Confident | 65.4 | Low | 124 Ų | 124 | 123.9 Ų | 123.9 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | -14.2 | 175.2 | -57 | 177.4 | 0 | 0 | 0 | 112 | V225 A227 | V225-L230 HydrophobicContact CB-CD2 4.4Å; V225-L230 HydrophobicContact CG1-CD2 3.82Å; V225-L230 HydrophobicContact CG1-CG 3.99Å; A227-L230 WeakPolarHBondContact O-CA 3.42Å; A227-L230 WeakPolarHBondContact O-CB 3.23Å; A227-L230 PolarHBondContact O-N 3.41Å |
| 231 | L | 72.5 | Confident | 63.3 | Low | 132 Ų | 132 | 123 Ų | 123 | 69% | 0.691 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -73.6 | 122.7 | 170.1 | -63.1 | 176.8 | 0 | 0 | 0 | 109.7 | A227 | A227-L231 PolarHBondContact O-N 3.48Š|
| 232 | I | 65.1 | Low | 61.7 | Low | 143 Ų | 143 | 123.5 Ų | 123.5 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 125.2 | 162.5 | -59.3 | 174 | 0 | 0 | 0 | 106.5 | D234 | I232-D234 PolarHBondContact O-N 2.88Š|
| 233 | P | 62.5 | Low | 59.9 | Low | 68 Ų | 68 | 124.8 Ų | 124.8 | 44% | 0.442 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 130.9 | -178.9 | -26.8 | 36.7 | 0 | 0 | 0 | 112.7 | E235 S236 | P233-E235 HydrophobicContact CB-CG 3.63Å; P233-E235 WeakPolarHBondContact CB-OE1 3.44Å; P233-E235 PolarHBondContact O-N 3.21Å; P233-E235 VanDerWaalsContact O-N 3.11Å; P233-S236 VanDerWaalsContact O-CB 3.28Å; P233-S236 WeakPolarHBondContact O-CB 3.49Å; P233-S236 PolarHBondContact O-N 2.9Å; P233-S236 PolarHBondContact O-OG 3.02Å |
| 234 | D | 60.6 | Low | 58.1 | Low | 123 Ų | 123 | 124 Ų | 124 | 66% | 0.658 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -60.3 | -21.7 | -177.1 | -74.9 | -70.2 | 0 | 0 | 0 | 113.8 | I232 S236 R237 | I232-D234 PolarHBondContact O-N 2.88Å; D234-S236 PolarHBondContact O-N 2.94Å; D234-R237 WeakPolarHBondContact O-CB 3.47Å; D234-R237 PolarHBondContact O-N 3.41Å |
| 235 | E | 57.8 | Low | 56.5 | Low | 171 Ų | 171 | 126.1 Ų | 126.1 | 80% | 0.799 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -57.2 | -10.9 | 168.4 | 57.5 | -163.5 | 132.9 | 0 | 0 | 113.8 | P233 | P233-E235 HydrophobicContact CB-CG 3.63Å; P233-E235 WeakPolarHBondContact CB-OE1 3.44Å; P233-E235 PolarHBondContact O-N 3.21Å; P233-E235 VanDerWaalsContact O-N 3.11Å |
| 236 | S | 52.1 | Low | 54.5 | Low | 71 Ų | 71 | 128.2 Ų | 128.2 | 50% | 0.497 | 69% | 0.693 | S | S | . | * | G | 310 helix | trans | -79.6 | -18 | 169.4 | -45.5 | 0 | 0 | 0 | 0 | 114 | P233 D234 | P233-S236 VanDerWaalsContact O-CB 3.28Å; P233-S236 WeakPolarHBondContact O-CB 3.49Å; P233-S236 PolarHBondContact O-N 2.9Å; P233-S236 PolarHBondContact O-OG 3.02Å; D234-S236 PolarHBondContact O-N 2.94Å |
| 237 | R | 48.9 | Very low | 52.3 | Low | 195 Ų | 195 | 128.4 Ų | 128.4 | 74% | 0.736 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -28.3 | -164.3 | -164.3 | 173.4 | -178.1 | 172.5 | -0.6 | 113.8 | D234 Q239 | D234-R237 WeakPolarHBondContact O-CB 3.47Å; D234-R237 PolarHBondContact O-N 3.41Å; R237-Q239 VanDerWaalsContact C-N 3.31Å |
| 238 | E | 50 | Low | 50.5 | Low | 180 Ų | 180 | 136.3 Ų | 136.3 | 84% | 0.841 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -7.4 | -178.8 | -59.5 | -170 | 158.1 | 0 | 0 | 113.5 | ||
| 239 | Q | 49.3 | Very low | 48.5 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 1.9 | 175.6 | -150.1 | 69.9 | 85.5 | 0 | 0 | 113.5 | R237 C241 | R237-Q239 VanDerWaalsContact C-N 3.31Å; Q239-C241 PolarHBondContact O-N 3.42Å |
| 240 | A | 40.4 | Very low | 46.8 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -76.2 | 116.5 | 167 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 241 | C | 35.9 | Very low | 44.8 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | trans | -56.2 | 135.6 | -174.6 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | Q239 V243 | Q239-C241 PolarHBondContact O-N 3.42Å; C241-V243 PolarHBondContact O-N 3.5Å | ||
| 242 | P | 38.6 | Very low | 43 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 81% | 0.805 | 74% | 0.735 | S | S | * | * | trans | -65.9 | 108.5 | 163.7 | 28.6 | -32.1 | 0 | 0 | 0 | 108.1 | E244 | P242-E244 PolarHBondContact O-N 3.39Š| ||
| 243 | V | 37.1 | Very low | 41.8 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | trans | -78.3 | 105.8 | 165.7 | 179.1 | 0 | 0 | 0 | 0 | 106.1 | C241 | C241-V243 PolarHBondContact O-N 3.5Š| ||
| 244 | E | 35.3 | Very low | 40.2 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 77% | 0.771 | 76% | 0.758 | S | S | * | * | trans | -57.8 | 150.2 | 172.3 | -69.8 | 179.9 | 113.6 | 0 | 0 | 110.7 | P242 V246 | P242-E244 PolarHBondContact O-N 3.39Å; E244-V246 PolarHBondContact O-N 2.81Å | ||
| 245 | D | 40.8 | Very low | 38.7 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -71.8 | 74.8 | -179.2 | -173.3 | 19.9 | 0 | 0 | 0 | 111.3 | A247 | D245-A247 VanDerWaalsContact C-N 3.29Å; D245-A247 PolarHBondContact O-N 3.47Å | ||
| 246 | V | 34.3 | Very low | 37.3 | Very low | 107 Ų | 107 | 133 Ų | 133 | 65% | 0.648 | 77% | 0.768 | S | S | * | * | trans | -76.7 | 85.1 | 174.7 | -177.7 | 0 | 0 | 0 | 0 | 108.5 | E244 W248 | E244-V246 PolarHBondContact O-N 2.81Å; V246-W248 PolarHBondContact O-N 3.09Å; V246-W248 VanDerWaalsContact O-N 3.14Å | ||
| 247 | A | 32 | Very low | 36.2 | Very low | 74 Ų | 74 | 137.3 Ų | 137.3 | 61% | 0.612 | 79% | 0.785 | S | S | * | * | trans | -52 | 117.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | D245 Q249 | D245-A247 VanDerWaalsContact C-N 3.29Å; D245-A247 PolarHBondContact O-N 3.47Å; A247-Q249 PolarHBondContact O-N 2.8Å | ||
| 248 | W | 33.2 | Very low | 35.8 | Very low | 238 Ų | 238 | 133.7 Ų | 133.7 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -69.6 | 89.4 | 177.5 | -69.1 | 96.3 | 0 | 0 | 0 | 110.5 | V246 I250 | V246-W248 PolarHBondContact O-N 3.09Å; V246-W248 VanDerWaalsContact O-N 3.14Å; W248-I250 PolarHBondContact O-N 3.03Å; W248-I250 VanDerWaalsContact O-N 3.07Å | ||
| 249 | Q | 31.8 | Very low | 34.9 | Very low | 175 Ų | 175 | 131 Ų | 131 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -62.2 | 111 | 170.1 | -71.2 | -168.3 | -2.6 | 0 | 0 | 109.7 | A247 T251 | A247-Q249 PolarHBondContact O-N 2.8Å; Q249-T251 PolarHBondContact O-N 3.07Å; Q249-T251 VanDerWaalsContact O-N 3.12Å | ||
| 250 | I | 32.8 | Very low | 34.1 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -75.3 | 97.7 | 169.2 | -59.3 | 175.2 | 0 | 0 | 0 | 107.1 | W248 D252 | W248-I250 PolarHBondContact O-N 3.03Å; W248-I250 VanDerWaalsContact O-N 3.07Å; I250-D252 PolarHBondContact O-N 2.88Å | ||
| 251 | T | 30.3 | Very low | 33.5 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | trans | -78.5 | 103.2 | 168.4 | 53.5 | 0 | 0 | 0 | 0 | 109.8 | Q249 | Q249-T251 PolarHBondContact O-N 3.07Å; Q249-T251 VanDerWaalsContact O-N 3.12Å | ||
| 252 | D | 33.6 | Very low | 33.2 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | -66.8 | 140.5 | 170.1 | -97.7 | -45 | 0 | 0 | 0 | 111.5 | I250 | I250-D252 PolarHBondContact O-N 2.88Š| ||
| 253 | P | 40.3 | Very low | 32.8 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -98.9 | 103.9 | -172.5 | 35.7 | -32.9 | 0 | 0 | 0 | 113.7 | ||||
| 254 | A | 29.5 | Very low | 32.5 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | -153.1 | 135 | 158.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 255 | G | 28.1 | Very low | 32.5 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -118.3 | 140 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 256 | G | 28.3 | Very low | 32 | Very low | 76 Ų | 76 | 124.7 Ų | 124.7 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | 172.1 | 72.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 257 | D | 30.7 | Very low | 31.8 | Very low | 160 Ų | 160 | 127.4 Ų | 127.4 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | 37.2 | 139.9 | 161.5 | -65 | -39.1 | 0 | 0 | 0 | 122.8 | ||||
| 258 | P | 40.6 | Very low | 31.8 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -93 | 143.1 | 174.7 | 36.2 | -32.8 | 0 | 0 | 0 | 113.5 | ||||
| 259 | V | 30.6 | Very low | 31.7 | Very low | 124 Ų | 124 | 120 Ų | 120 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -158.5 | 115.3 | 154.4 | 126.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 260 | Q | 31 | Very low | 31.8 | Very low | 154 Ų | 154 | 120.1 Ų | 120.1 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | 56.5 | 132.9 | 142 | -58 | 175.2 | 19 | 0 | 0 | 123.7 | ||||
| 261 | N | 29.3 | Very low | 31.7 | Very low | 149 Ų | 149 | 121.6 Ų | 121.6 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | 72 | 150.6 | 144 | -61.1 | -18.8 | 0 | 0 | 0 | 119.8 | ||||
| 262 | A | 30 | Very low | 31.9 | Very low | 94 Ų | 94 | 121.1 Ų | 121.1 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | cis | -168.8 | 156.5 | -21.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 263 | G | 28.4 | Very low | 32.3 | Very low | 79 Ų | 79 | 119.9 Ų | 119.9 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 77.8 | 165.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 264 | D | 32.3 | Very low | 32.4 | Very low | 169 Ų | 169 | 119.3 Ų | 119.3 | 90% | 0.904 | 80% | 0.797 | S | S | * | * | cis | -149.7 | 174.9 | -11.3 | -164.1 | 10.9 | 0 | 0 | 0 | 109.7 | ||||
| 265 | A | 34.7 | Very low | 32.5 | Very low | 89 Ų | 89 | 122 Ų | 122 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -108.6 | 146.9 | -159.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 266 | G | 29.7 | Very low | 32.6 | Very low | 78 Ų | 78 | 125.6 Ų | 125.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 77.7 | 177.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 267 | N | 30 | Very low | 32.9 | Very low | 163 Ų | 163 | 131 Ų | 131 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | cis | -156.2 | 167.1 | -21.2 | -172 | 31.4 | 0 | 0 | 0 | 109.7 | ||||
| 268 | A | 32.7 | Very low | 33.2 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -68.3 | 168.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 269 | G | 31.3 | Very low | 33.1 | Very low | 66 Ų | 66 | 129.8 Ų | 129.8 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | 143.3 | 67.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 270 | E | 33 | Very low | 33.6 | Very low | 176 Ų | 176 | 127.4 Ų | 127.4 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | 66.9 | 119.7 | 88.1 | -65.6 | -167.6 | 128.6 | 0 | 0 | 115.7 | |||||
| 271 | H | 31.2 | Very low | 34 | Very low | 186 Ų | 186 | 126 Ų | 126 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -176.5 | 100.6 | 130.6 | -96.1 | -53.8 | 0 | 0 | 0 | 113.7 | ||||
| 272 | S | 34.1 | Very low | 34.6 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | 53.1 | 134.3 | 149 | -55.8 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 273 | P | 42.6 | Very low | 35.4 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -90.7 | -160.6 | 163.9 | 44.4 | -39.3 | 0 | 0 | 0 | 110.2 | ||||
| 274 | P | 43.2 | Very low | 36 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | cis | -139.8 | 174.5 | 1.3 | 43.8 | -26.6 | 0 | 0 | 0 | 117.4 | ||||
| 275 | L | 30.1 | Very low | 36.6 | Very low | 163 Ų | 163 | 127.4 Ų | 127.4 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | -172.1 | 99.5 | 129.1 | -106.1 | 166.4 | 0 | 0 | 0 | 113.8 | |||||
| 276 | M | 31.6 | Very low | 37 | Very low | 161 Ų | 161 | 127.3 Ų | 127.3 | 79% | 0.793 | 75% | 0.754 | S | S | * | * | trans | 35 | 97.2 | 140.3 | -166.5 | 169.7 | 178.3 | 0 | 0 | 119.8 | ||||
| 277 | E | 33.9 | Very low | 37.7 | Very low | 188 Ų | 188 | 126.5 Ų | 126.5 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | trans | -94.1 | 139.4 | 145.7 | -72.4 | -177.1 | 109.3 | 0 | 0 | 109.2 | ||||
| 278 | D | 36.9 | Very low | 38.4 | Very low | 141 Ų | 141 | 125.8 Ų | 125.8 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | -117.6 | 99.9 | 169.8 | -177.7 | 21 | 0 | 0 | 0 | 109.2 | ||||
| 279 | V | 38.2 | Very low | 38.9 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | trans | -134.2 | 107.1 | 172.3 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 280 | A | 42.4 | Very low | 39.4 | Very low | 75 Ų | 75 | 130.3 Ų | 130.3 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 134.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | F282 | A280-F282 PolarHBondContact O-N 3.4Š|
| 281 | P | 38.9 | Very low | 39.9 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 132.6 | 176.8 | -24.2 | 34.2 | 0 | 0 | 0 | 111.9 | ||
| 282 | F | 41.9 | Very low | 40.8 | Very low | 195 Ų | 195 | 120.7 Ų | 120.7 | 86% | 0.855 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -62 | 134.8 | 167.9 | -80.7 | -100.1 | 0 | 0 | 0 | 109.6 | A280 | A280-F282 PolarHBondContact O-N 3.4Š|
| 283 | P | 46.2 | Very low | 41.2 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 77% | 0.766 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 140.8 | 175.6 | 28.3 | -34 | 0 | 0 | 0 | 111 | ||
| 284 | D | 41.9 | Very low | 41.5 | Very low | 98 Ų | 98 | 122.9 Ų | 122.9 | 52% | 0.524 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 121.5 | -178.6 | -173.1 | -30.9 | 0 | 0 | 0 | 111.2 | T286 A287 | D284-T286 PolarHBondContact O-N 2.55Å; D284-T286 WeakPolarHBondContact OD1-CB 3.23Å; D284-T286 WeakPolarHBondContact OD1-CG2 3.47Å; D284-T286 PolarHBondContact OD1-N 2.8Å; D284-T286 PolarHBondContact OD1-OG1 3.4Å; D284-T286 PolarHBondContact OD2-OG1 3.38Å; D284-A287 WeakPolarHBondContact O-CB 3.5Å; D284-A287 PolarHBondContact O-N 2.8Å |
| 285 | P | 43.2 | Very low | 42.1 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -67.3 | -13.2 | -178.8 | 28.7 | -35.8 | 0 | 0 | 0 | 114 | ||
| 286 | T | 44.8 | Very low | 43.5 | Very low | 87 Ų | 87 | 121.5 Ų | 121.5 | 53% | 0.534 | 68% | 0.675 | S | S | . | * | G | 310 helix | trans | -77.2 | -23.1 | 175.6 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | D284 L288 L289 | D284-T286 PolarHBondContact O-N 2.55Å; D284-T286 WeakPolarHBondContact OD1-CB 3.23Å; D284-T286 WeakPolarHBondContact OD1-CG2 3.47Å; D284-T286 PolarHBondContact OD1-N 2.8Å; D284-T286 PolarHBondContact OD1-OG1 3.4Å; D284-T286 PolarHBondContact OD2-OG1 3.38Å; T286-L288 PolarHBondContact O-N 3.12Å; T286-L288 VanDerWaalsContact O-N 3.13Å; T286-L289 PolarHBondContact O-N 2.89Å; T286-L289 VanDerWaalsContact O-N 3.08Å |
| 287 | A | 43.1 | Very low | 44.2 | Very low | 62 Ų | 62 | 119.7 Ų | 119.7 | 51% | 0.512 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -66 | -16.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D284 S290 | D284-A287 WeakPolarHBondContact O-CB 3.5Å; D284-A287 PolarHBondContact O-N 2.8Å; A287-S290 PolarHBondContact O-OG 3.13Å |
| 288 | L | 44.9 | Very low | 45.1 | Very low | 147 Ų | 147 | 116 Ų | 116 | 77% | 0.77 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -92.2 | -1.1 | 176.6 | -65 | 177.6 | 0 | 0 | 0 | 113.9 | T286 | T286-L288 PolarHBondContact O-N 3.12Å; T286-L288 VanDerWaalsContact O-N 3.13Å |
| 289 | L | 43.5 | Very low | 45.6 | Very low | 151 Ų | 151 | 115.2 Ų | 115.2 | 79% | 0.791 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -94.7 | -4.9 | -178.3 | -61.5 | 177.9 | 0 | 0 | 0 | 114 | T286 | T286-L289 PolarHBondContact O-N 2.89Å; T286-L289 VanDerWaalsContact O-N 3.08Å |
| 290 | S | 41.3 | Very low | 45.7 | Very low | 103 Ų | 103 | 117.4 Ų | 117.4 | 72% | 0.72 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -100 | -14.3 | -179.6 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | A287 | A287-S290 PolarHBondContact O-OG 3.13Š|
| 291 | T | 43.9 | Very low | 45.5 | Very low | 85 Ų | 85 | 117.3 Ų | 117.3 | 52% | 0.521 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -69.6 | 131.3 | -179.8 | -44.8 | 0 | 0 | 0 | 0 | 111 | D295 | T291-D295 HydrophobicContact CG2-CB 4.19Š|
| 292 | N | 49.3 | Very low | 45.4 | Very low | 74 Ų | 74 | 119 Ų | 119 | 40% | 0.396 | 67% | 0.671 | S | S | . | * | trans | -62.1 | 127.1 | 175.2 | 163.4 | 40.3 | 0 | 0 | 0 | 109.6 | W294 D295 | N292-W294 PolarHBondContact O-N 3.05Å; N292-D295 WeakPolarHBondContact CB-OD2 3.16Å; N292-D295 PolarHBondContact ND2-OD1 2.75Å; N292-D295 WeakPolarHBondContact O-CB 3.35Å; N292-D295 PolarHBondContact O-N 2.97Å | ||
| 293 | P | 44.1 | Very low | 45 | Very low | 89 Ų | 89 | 114.3 Ų | 114.3 | 58% | 0.578 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -7.2 | -172.9 | 25.2 | -35.9 | 0 | 0 | 0 | 114.7 | ||
| 294 | W | 48.1 | Very low | 44.8 | Very low | 186 Ų | 186 | 114.7 Ų | 114.7 | 71% | 0.705 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -12.8 | 173.9 | -59.6 | 103.4 | 0 | 0 | 0 | 113.9 | N292 M296 F297 | N292-W294 PolarHBondContact O-N 3.05Å; W294-M296 PolarHBondContact O-N 3.34Å; W294-F297 HydrophobicContact CE3-CD2 4.14Å; W294-F297 AromaticContact CE3-CE2 3.9Å; W294-F297 HydrophobicContact CE3-CE2 3.9Å; W294-F297 HydrophobicContact CZ3-CE2 4.18Å; W294-F297 WeakPolarHBondContact O-CD2 3.4Å; W294-F297 PolarHBondContact O-N 3.48Å |
| 295 | D | 55.6 | Low | 44.1 | Very low | 105 Ų | 105 | 115.3 Ų | 115.3 | 56% | 0.561 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -6.8 | -178.4 | -60.3 | -8.9 | 0 | 0 | 0 | 112.8 | T291 N292 F297 | T291-D295 HydrophobicContact CG2-CB 4.19Å; N292-D295 WeakPolarHBondContact CB-OD2 3.16Å; N292-D295 PolarHBondContact ND2-OD1 2.75Å; N292-D295 WeakPolarHBondContact O-CB 3.35Å; N292-D295 PolarHBondContact O-N 2.97Å; D295-F297 PolarHBondContact O-N 2.96Å |
| 296 | M | 60.3 | Low | 43.7 | Very low | 140 Ų | 140 | 116.3 Ų | 116.3 | 69% | 0.69 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -13.8 | 172.4 | 68.8 | 173.3 | 63.9 | 0 | 0 | 113.6 | W294 | W294-M296 PolarHBondContact O-N 3.34Š|
| 297 | F | 45.3 | Very low | 43.1 | Very low | 123 Ų | 123 | 117.8 Ų | 117.8 | 54% | 0.539 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -96.4 | 125.6 | 178.1 | -60.4 | -75.4 | 0 | 0 | 0 | 109.8 | W294 D295 | W294-F297 HydrophobicContact CE3-CD2 4.14Å; W294-F297 AromaticContact CE3-CE2 3.9Å; W294-F297 HydrophobicContact CE3-CE2 3.9Å; W294-F297 HydrophobicContact CZ3-CE2 4.18Å; W294-F297 WeakPolarHBondContact O-CD2 3.4Å; W294-F297 PolarHBondContact O-N 3.48Å; D295-F297 PolarHBondContact O-N 2.96Å |
| 298 | P | 53.1 | Low | 42.7 | Very low | 109 Ų | 109 | 122.2 Ų | 122.2 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 137.2 | 174.4 | 26.6 | -33.6 | 0 | 0 | 0 | 109.4 | L300 | P298-L300 PolarHBondContact O-N 3.14Š|
| 299 | P | 48.3 | Very low | 42 | Very low | 126 Ų | 126 | 121 Ų | 121 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 130.8 | 178.6 | 24.1 | -33.5 | 0 | 0 | 0 | 109.5 | G301 | P299-G301 PolarHBondContact O-N 3.02Š|
| 300 | L | 40.5 | Very low | 41.5 | Very low | 160 Ų | 160 | 119.3 Ų | 119.3 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | trans | -55.4 | 115.7 | -175.1 | -74 | 171.3 | 0 | 0 | 0 | 110.4 | P298 I302 | P298-L300 PolarHBondContact O-N 3.14Å; L300-I302 PolarHBondContact O-N 3.3Å | ||
| 301 | G | 36.9 | Very low | 41.7 | Very low | 73 Ų | 73 | 120 Ų | 120 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | trans | -70 | 74.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P299 S303 | P299-G301 PolarHBondContact O-N 3.02Å; G301-S303 PolarHBondContact O-N 2.85Å | ||
| 302 | I | 37.8 | Very low | 40.9 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 82% | 0.821 | 73% | 0.729 | S | S | * | * | trans | -71.7 | 64.1 | 170.3 | 47.3 | 169.7 | 0 | 0 | 0 | 111.2 | L300 P304 | L300-I302 PolarHBondContact O-N 3.3Å; I302-P304 VanDerWaalsContact O-CD 3.31Å; I302-P304 WeakPolarHBondContact O-CD 3.45Å | ||
| 303 | S | 33.8 | Very low | 40 | Very low | 96 Ų | 96 | 126 Ų | 126 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | trans | -69 | 116.5 | 165.7 | -72.2 | 0 | 0 | 0 | 0 | 109.5 | G301 S305 | G301-S303 PolarHBondContact O-N 2.85Å; S303-S305 VanDerWaalsContact C-N 3.25Å; S303-S305 PolarHBondContact O-N 3.37Å | ||
| 304 | P | 40.6 | Very low | 39.4 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | trans | -81.2 | 69.1 | -178.6 | 34.2 | -35.3 | 0 | 0 | 0 | 111.2 | I302 T306 | I302-P304 VanDerWaalsContact O-CD 3.31Å; I302-P304 WeakPolarHBondContact O-CD 3.45Å; P304-T306 PolarHBondContact O-N 3.07Å | ||
| 305 | S | 27.2 | Very low | 39 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | trans | -94.5 | 82.5 | 177.2 | -69.6 | 0 | 0 | 0 | 0 | 112.2 | S303 | S303-S305 VanDerWaalsContact C-N 3.25Å; S303-S305 PolarHBondContact O-N 3.37Å | ||
| 306 | T | 36.1 | Very low | 37.5 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -66.6 | 132.4 | 158.3 | 45 | 0 | 0 | 0 | 0 | 111.4 | P304 | P304-T306 PolarHBondContact O-N 3.07Š| ||
| 307 | S | 32.3 | Very low | 35.9 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | 177 | 148.1 | 122.5 | -76 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 308 | D | 34 | Very low | 35 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -62.6 | 151.5 | 159.6 | -80.8 | -70.6 | 0 | 0 | 0 | 112.4 | ||||
| 309 | S | 30.3 | Very low | 33.8 | Very low | 122 Ų | 122 | 128 Ų | 128 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | 170.6 | 131.6 | 121.3 | -74.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 310 | S | 32.1 | Very low | 32.9 | Very low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -95 | 164.2 | 153.2 | -132.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 311 | P | 45.9 | Very low | 32.3 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | cis | -145.8 | 161.9 | 43.3 | 40.7 | -20.3 | 0 | 0 | 0 | 119.2 | ||||
| 312 | E | 27.9 | Very low | 32 | Very low | 164 Ų | 164 | 128.1 Ų | 128.1 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | 21.3 | 130.4 | 141.3 | -168.1 | 150.1 | 90.8 | 0 | 0 | 122.2 | ||||
| 313 | S | 30.8 | Very low | 31.6 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -154.4 | 126.3 | 148.8 | -74.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 314 | T | 31.6 | Very low | 31.3 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | trans | -126.3 | -172.6 | 169 | 62.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 315 | P | 38.3 | Very low | 30.7 | Very low | 110 Ų | 110 | 127 Ų | 127 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | cis | -137.8 | 175.2 | -2.3 | 42.5 | -25.7 | 0 | 0 | 0 | 115.7 | ||||
| 316 | K | 23.9 | Very low | 30.9 | Very low | 169 Ų | 169 | 127.2 Ų | 127.2 | 74% | 0.735 | 78% | 0.776 | S | S | * | * | 174.1 | 128.4 | 119.8 | -102 | -165 | 171.1 | -151.1 | 0 | 114.2 | |||||
| 317 | L | 27.3 | Very low | 30.6 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | -154.8 | 154 | 119.3 | -138.8 | 94.6 | 0 | 0 | 0 | 110.1 | |||||
| 318 | D | 27.3 | Very low | 30.7 | Very low | 120 Ų | 120 | 134 Ų | 134 | 64% | 0.642 | 78% | 0.78 | S | S | * | * | trans | -87.4 | 169.2 | -177 | -57.5 | -82.2 | 0 | 0 | 0 | 111.7 | ||||
| 319 | S | 27.6 | Very low | 30.8 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | cis | 173.3 | 121.7 | -26.6 | 175.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 320 | V | 29.7 | Very low | 30.6 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 89% | 0.885 | 78% | 0.775 | S | S | * | * | trans | -150.7 | 143.8 | 159.3 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 321 | A | 27.6 | Very low | 30.3 | Very low | 84 Ų | 84 | 131 Ų | 131 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | trans | -79.2 | 175.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 322 | V | 29.3 | Very low | 29.5 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | -163.1 | 138.6 | 67.1 | 162.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 323 | V | 30 | Very low | 29.5 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | 4.6 | 125.6 | 148.6 | 166.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 324 | T | 27.3 | Very low | 29.3 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | cis | -149 | -159.9 | 14.8 | -2.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 325 | S | 29.2 | Very low | 29.5 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | cis | -155.5 | -170 | 22.5 | -158.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 326 | T | 30.6 | Very low | 29.4 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | -138.4 | 145 | -160.9 | -29.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 327 | R | 30.6 | Very low | 29.9 | Very low | 234 Ų | 234 | 129.8 Ų | 129.8 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | 106.8 | 120.3 | 150.6 | -59.2 | -166.1 | 178.2 | -151.7 | -5.2 | 120.9 | ||||
| 328 | L | 34 | Very low | 30.4 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | -90 | 164.5 | 143.6 | -62.8 | 170.1 | 0 | 0 | 0 | 109.3 | ||||
| 329 | P | 35.4 | Very low | 30.6 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | -135.8 | 164.9 | 90.7 | 24.9 | -3.1 | 0 | 0 | 0 | 112.6 | |||||
| 330 | V | 27 | Very low | 30.8 | Very low | 132 Ų | 132 | 129.5 Ų | 129.5 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | cis | 75 | 125.4 | 39.7 | 178.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 331 | A | 25.5 | Very low | 30.9 | Very low | 80 Ų | 80 | 129.7 Ų | 129.7 | 66% | 0.661 | 77% | 0.766 | S | S | * | * | cis | -158.5 | 178 | 2.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 332 | S | 28 | Very low | 31.2 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 66 | 146.2 | 153.7 | -57.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 333 | T | 27.8 | Very low | 31.3 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | cis | -146.9 | -147.5 | -9.9 | 16 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 334 | E | 28.4 | Very low | 31.4 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 73% | 0.729 | 77% | 0.772 | S | S | * | * | cis | -160.9 | -171.9 | 9.8 | -153.6 | 61.5 | -89 | 0 | 0 | 110.5 | ||||
| 335 | L | 34.3 | Very low | 31.8 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | -125.1 | 172.9 | 174.3 | -65.7 | 174.5 | 0 | 0 | 0 | 110.1 | ||||
| 336 | P | 37.4 | Very low | 31.9 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | cis | -140.4 | 171.2 | 9.5 | 44.1 | -26.2 | 0 | 0 | 0 | 118.1 | ||||
| 337 | V | 34.6 | Very low | 31.8 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 21.9 | 120.3 | 136.6 | -177.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 338 | P | 36.6 | Very low | 32.5 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | -142.2 | 167.3 | 86.6 | 40.2 | -25.4 | 0 | 0 | 0 | 117.6 | |||||
| 339 | S | 32.2 | Very low | 32.2 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -67.4 | 149.4 | 176.6 | 54.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 340 | L | 30.2 | Very low | 32 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | -168.1 | 174.6 | 129.8 | -104.1 | 163.4 | 0 | 0 | 0 | 111.5 | |||||
| 341 | L | 33.7 | Very low | 31.9 | Very low | 151 Ų | 151 | 134 Ų | 134 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 153.7 | -171.1 | -67.4 | 166.9 | 0 | 0 | 0 | 113.6 | ||
| 342 | P | 32.4 | Very low | 32.2 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 130.9 | -179 | 30.4 | -34.7 | 0 | 0 | 0 | 112.6 | ||
| 343 | P | 32.6 | Very low | 33 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 139.9 | 163.4 | 34.1 | -30.9 | 0 | 0 | 0 | 110.5 | ||
| 344 | Y | 31.6 | Very low | 33.9 | Very low | 233 Ų | 233 | 140 Ų | 140 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | trans | -169.9 | 92.5 | 139.4 | -92.9 | -55.4 | 0 | 0 | 0 | 110.4 | ||||
| 345 | Q | 36.1 | Very low | 33.8 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -115.7 | 127.7 | 162.1 | 171.3 | -175.4 | -4.3 | 0 | 0 | 106.5 | ||||
| 346 | N | 30.3 | Very low | 33.6 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -167.1 | 131.8 | 163.3 | -98.6 | -33.4 | 0 | 0 | 0 | 113 | ||||
| 347 | Q | 27.9 | Very low | 33.2 | Very low | 182 Ų | 182 | 135.1 Ų | 135.1 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -163.1 | 165 | 166.4 | -94.8 | -159.5 | 8.2 | 0 | 0 | 106.5 | ||||
| 348 | P | 46.7 | Very low | 32.9 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | cis | -128 | -169.1 | -38.4 | 37.9 | -22.3 | 0 | 0 | 0 | 110.2 | ||||
| 349 | A | 26.8 | Very low | 32.6 | Very low | 105 Ų | 105 | 133 Ų | 133 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -147.5 | 148.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 350 | A | 32 | Very low | 32.3 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -145.5 | 156.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 351 | S | 24.5 | Very low | 32.2 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -161.1 | 122.9 | 169.1 | 56.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 352 | F | 32.1 | Very low | 32 | Very low | 203 Ų | 203 | 130.6 Ų | 130.6 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -85.3 | -174.6 | 164 | -76.3 | -72.9 | 0 | 0 | 0 | 110 | ||||
| 353 | P | 45.3 | Very low | 32 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | cis | -151.1 | -147.9 | 27.3 | 42.3 | -16 | 0 | 0 | 0 | 115.5 | ||||
| 354 | P | 45.5 | Very low | 32.3 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | -129.7 | -176.5 | -54.9 | 29.4 | -8.8 | 0 | 0 | 0 | 116.1 | |||||
| 355 | S | 27.8 | Very low | 32 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | 87.4 | 144.7 | 152.7 | -53.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 356 | S | 29.1 | Very low | 33.2 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | cis | -167.3 | 141 | -14.4 | -91.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 357 | S | 29.5 | Very low | 33.9 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | 53.4 | 123.1 | 141.5 | -50.9 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 358 | S | 28.8 | Very low | 34.1 | Very low | 125 Ų | 125 | 121.2 Ų | 121.2 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | 60 | 162.9 | 134.6 | -47.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 359 | A | 29 | Very low | 33.4 | Very low | 86 Ų | 86 | 121.3 Ų | 121.3 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | -155.9 | 136.7 | 1.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 360 | T | 27.3 | Very low | 33.6 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | 81.9 | 144 | 85.9 | -29.3 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 361 | V | 28.3 | Very low | 33.5 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | trans | 79.8 | 146.2 | 163.2 | -178.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 362 | S | 28.4 | Very low | 33.8 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | cis | -171.1 | 171.3 | -29.8 | -83.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 363 | L | 32.4 | Very low | 33.8 | Very low | 161 Ų | 161 | 119.5 Ų | 119.5 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | -78.2 | 164.7 | 168.1 | -136.9 | 78.8 | 0 | 0 | 0 | 112.4 | ||||
| 364 | P | 38.9 | Very low | 33.1 | Very low | 125 Ų | 125 | 119.3 Ų | 119.3 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | -154.4 | -161.8 | 77.7 | 42.9 | -21.1 | 0 | 0 | 0 | 116.8 | |||||
| 365 | E | 26.1 | Very low | 32.6 | Very low | 167 Ų | 167 | 120.5 Ų | 120.5 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | trans | -125.2 | -156.7 | -173.6 | -153.7 | -154.7 | 125.8 | 0 | 0 | 111.6 | ||||
| 366 | P | 60.3 | Low | 33.3 | Very low | 98 Ų | 98 | 121.4 Ų | 121.4 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | -91.5 | -166.3 | -89.7 | 37.7 | -24.9 | 0 | 0 | 0 | 115.6 | |||||
| 367 | P | 45.4 | Very low | 33.3 | Very low | 132 Ų | 132 | 119.8 Ų | 119.8 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | -145.5 | -170.6 | 111.9 | 39.1 | -22.7 | 0 | 0 | 0 | 116 | |||||
| 368 | A | 31.4 | Very low | 33.3 | Very low | 98 Ų | 98 | 120.1 Ų | 120.1 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -135.1 | -149.2 | -159.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 369 | S | 33.6 | Very low | 33.4 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | 82.6 | 149.7 | 176.7 | -74.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 370 | D | 30.3 | Very low | 33.5 | Very low | 166 Ų | 166 | 131 Ų | 131 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | cis | -170.1 | 168.6 | -18.4 | -168.8 | 10.4 | 0 | 0 | 0 | 110.6 | ||||
| 371 | G | 29.6 | Very low | 33.9 | Very low | 55 Ų | 55 | 133.6 Ų | 133.6 | 57% | 0.567 | 78% | 0.782 | S | S | * | * | trans | 131.6 | 107.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 372 | T | 31.7 | Very low | 34.3 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 24.5 | 149.4 | 130.8 | 52.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 373 | D | 30.5 | Very low | 34.4 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | -163.7 | 168.7 | 14.9 | -134.8 | -28 | 0 | 0 | 0 | 117.4 | ||||
| 374 | T | 30.4 | Very low | 34.6 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 68% | 0.681 | 79% | 0.785 | S | S | * | * | trans | 43.5 | 112 | 155.9 | 49.3 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 375 | V | 36.5 | Very low | 34.2 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | 52.1 | 139.6 | 107 | 172.1 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 376 | P | 42.6 | Very low | 34.3 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | cis | -138.1 | -172.1 | -33.6 | 41.4 | -21.6 | 0 | 0 | 0 | 114.3 | ||||
| 377 | G | 27.6 | Very low | 32.7 | Very low | 71 Ų | 71 | 143.3 Ų | 143.3 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | 135.8 | 124.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 378 | S | 30.6 | Very low | 31.6 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | 66.7 | 119.3 | 156.6 | -137.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 379 | Y | 31.2 | Very low | 31.4 | Very low | 212 Ų | 212 | 142.9 Ų | 142.9 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -14 | 124.1 | 165.1 | -45.7 | -80.2 | 0 | 0 | 0 | 117.9 | ||||
| 380 | R | 31.2 | Very low | 31 | Very low | 228 Ų | 228 | 146 Ų | 146 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | 53.8 | 133.7 | 58.1 | -67.5 | -166.3 | -179.3 | -159.2 | 4.4 | 114.7 | |||||
| 381 | K | 34.3 | Very low | 31 | Very low | 186 Ų | 186 | 147.4 Ų | 147.4 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | cis | -166.2 | 144.8 | -19.2 | -129.8 | -176.1 | -176.4 | -171.3 | 0 | 108.9 | ||||
| 382 | P | 36.5 | Very low | 30.8 | Very low | 113 Ų | 113 | 153 Ų | 153 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | -104.2 | 169.2 | 178.4 | 39 | -35.1 | 0 | 0 | 0 | 115.1 | ||||
| 383 | K | 31.4 | Very low | 30.7 | Very low | 189 Ų | 189 | 155.9 Ų | 155.9 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | 50 | 125.1 | 152.5 | -77.3 | 177.3 | 174.2 | 172.6 | 0 | 121.7 | ||||
| 384 | R | 37.2 | Very low | 30.7 | Very low | 239 Ų | 239 | 157.6 Ų | 157.6 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | 60.4 | 128.7 | 140.8 | -69 | -177.3 | 171.1 | 173 | -4.8 | 122 | ||||
| 385 | K | 29.2 | Very low | 30.6 | Very low | 176 Ų | 176 | 161.8 Ų | 161.8 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | trans | -108.1 | -177.6 | 135.9 | -111.4 | -167 | 156.8 | -171.1 | 0 | 107.3 | C387 | K385-C387 HydrophobicContact CD-CB 4.5Å; K385-C387 PolarHBondContact NZ-SG 3.11Å | ||
| 386 | R | 29.6 | Very low | 30.3 | Very low | 187 Ų | 187 | 163.8 Ų | 163.8 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | cis | 50.8 | 83 | 0.5 | -159.8 | 164.7 | -179.5 | 143.2 | -0.2 | 121.1 | E388 | R386-E388 HydrophobicContact CG-CB 4.47Å; R386-E388 IonicContact CZ-OE1 3.24Å; R386-E388 IonicContact CZ-OE2 3.33Å; R386-E388 IonicContact NE-OE1 2.86Å; R386-E388 IonicContact NE-OE2 3.1Å; R386-E388 PolarHBondContact NE-OE2 2.62Å; R386-E388 IonicContact NH2-OE1 2.71Å; R386-E388 PolarHBondContact NH2-OE1 3.25Å; R386-E388 IonicContact NH2-OE2 3.42Å; R386-E388 PolarHBondContact NH2-OE2 3.47Å | ||
| 387 | C | 25.7 | Very low | 29.8 | Very low | 91 Ų | 91 | 167 Ų | 167 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | trans | -137.4 | 136.2 | 136.7 | -96.5 | 0 | 0 | 0 | 0 | 105.6 | K385 | K385-C387 HydrophobicContact CD-CB 4.5Å; K385-C387 PolarHBondContact NZ-SG 3.11Å | ||
| 388 | E | 23 | Very low | 29.9 | Very low | 133 Ų | 133 | 170 Ų | 170 | 62% | 0.621 | 81% | 0.805 | S | S | * | * | cis | 59.6 | 105.1 | 12.3 | -164.9 | 167.8 | -125.9 | 0 | 0 | 113.5 | R386 | R386-E388 HydrophobicContact CG-CB 4.47Å; R386-E388 IonicContact CZ-OE1 3.24Å; R386-E388 IonicContact CZ-OE2 3.33Å; R386-E388 IonicContact NE-OE1 2.86Å; R386-E388 IonicContact NE-OE2 3.1Å; R386-E388 PolarHBondContact NE-OE2 2.62Å; R386-E388 IonicContact NH2-OE1 2.71Å; R386-E388 PolarHBondContact NH2-OE1 3.25Å; R386-E388 IonicContact NH2-OE2 3.42Å; R386-E388 PolarHBondContact NH2-OE2 3.47Å | ||
| 389 | A | 27.8 | Very low | 29.8 | Very low | 87 Ų | 87 | 169.3 Ų | 169.3 | 72% | 0.719 | 80% | 0.8 | S | S | * | * | trans | -139.7 | 138.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 390 | E | 24.9 | Very low | 29.9 | Very low | 185 Ų | 185 | 163.2 Ų | 163.2 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | -67 | 157 | 178.5 | -61.3 | 93.4 | 154.6 | 0 | 0 | 111.9 | ||||
| 391 | Q | 28.8 | Very low | 30.1 | Very low | 197 Ų | 197 | 157.1 Ų | 157.1 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -107.8 | 139.4 | 155.9 | -78.3 | -171.5 | -23.4 | 0 | 0 | 108.5 | ||||
| 392 | Q | 26.7 | Very low | 30.2 | Very low | 172 Ų | 172 | 152.6 Ų | 152.6 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -96.7 | 131 | -168 | -173.1 | 173.3 | -29.7 | 0 | 0 | 108.9 | E394 | Q392-E394 PolarHBondContact O-N 2.9Š| ||
| 393 | E | 28.4 | Very low | 30.2 | Very low | 191 Ų | 191 | 151 Ų | 151 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | trans | -72.5 | 124.8 | 169.3 | -69.2 | 175.5 | 140.3 | 0 | 0 | 108.6 | ||||
| 394 | E | 30.4 | Very low | 30.5 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -135.3 | 97.4 | 170.5 | -167.2 | 159.9 | -121 | 0 | 0 | 107 | Q392 | Q392-E394 PolarHBondContact O-N 2.9Š| ||
| 395 | E | 28.7 | Very low | 30.7 | Very low | 198 Ų | 198 | 146.8 Ų | 146.8 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | trans | -77.4 | 119.8 | 170.9 | -64.7 | -175 | 123.6 | 0 | 0 | 108.6 | ||||
| 396 | E | 31.6 | Very low | 31.1 | Very low | 175 Ų | 175 | 144.2 Ų | 144.2 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -125.3 | 120.6 | 164.8 | -163.7 | 175 | -136.6 | 0 | 0 | 110.1 | V398 | E396-V398 PolarHBondContact O-N 3.03Š| ||
| 397 | E | 31.3 | Very low | 31.5 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | trans | -71.3 | 113.9 | 179.2 | -65.4 | -175.8 | 103.2 | 0 | 0 | 111.1 | ||||
| 398 | V | 29.2 | Very low | 31.9 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | -101.1 | 112.5 | 163.6 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | E396 G400 | E396-V398 PolarHBondContact O-N 3.03Å; V398-G400 PolarHBondContact O-N 3.13Å | ||
| 399 | S | 28.4 | Very low | 32.4 | Very low | 97 Ų | 97 | 145.4 Ų | 145.4 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -54 | 128.7 | -170 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | S401 | S399-S401 PolarHBondContact O-N 2.9Š| ||
| 400 | G | 34.2 | Very low | 32.7 | Very low | 83 Ų | 83 | 150.1 Ų | 150.1 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -66.5 | 99.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V398 | V398-G400 PolarHBondContact O-N 3.13Š| ||
| 401 | S | 35 | Very low | 33 | Very low | 100 Ų | 100 | 149.3 Ų | 149.3 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 123.7 | 165.8 | -67.4 | 0 | 0 | 0 | 0 | 109.8 | S399 | S399-S401 PolarHBondContact O-N 2.9Š|
| 402 | P | 37.1 | Very low | 33.1 | Very low | 92 Ų | 92 | 142.5 Ų | 142.5 | 60% | 0.597 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 143.5 | 176 | 28.3 | -34 | 0 | 0 | 0 | 110.4 | ||
| 403 | P | 36.1 | Very low | 33.3 | Very low | 79 Ų | 79 | 144.6 Ų | 144.6 | 51% | 0.513 | 78% | 0.779 | S | S | . | * | P | Polyproline II helix | trans | -71.5 | 152.7 | -173.9 | 32.1 | -37.5 | 0 | 0 | 0 | 111.8 | W405 | P403-W405 HydrophobicContact CG-CZ2 4.11Å; P403-W405 PolarHBondContact O-N 3.16Å |
| 404 | S | 36.7 | Very low | 33.3 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -68.3 | 9.6 | -158.1 | 50.7 | 0 | 0 | 0 | 0 | 117.9 | L406 | S404-L406 PolarHBondContact O-N 2.89Š|
| 405 | W | 42 | Very low | 33.5 | Very low | 228 Ų | 228 | 142.5 Ų | 142.5 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -82.7 | 3.4 | 179.6 | 14.4 | -51.7 | 0 | 0 | 0 | 113.4 | P403 | P403-W405 HydrophobicContact CG-CZ2 4.11Å; P403-W405 PolarHBondContact O-N 3.16Å |
| 406 | L | 37.3 | Very low | 33.5 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -85.8 | -9.1 | -171.2 | -151.8 | 73 | 0 | 0 | 0 | 115.4 | S404 | S404-L406 PolarHBondContact O-N 2.89Š|
| 407 | F | 37.5 | Very low | 34.1 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -123.2 | -16.1 | -166.9 | -68.6 | -69 | 0 | 0 | 0 | 117.2 | S409 | F407-S409 VanDerWaalsContact C-N 3.33Å; F407-S409 PolarHBondContact O-N 2.98Å |
| 408 | D | 34.1 | Very low | 34.2 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -81 | 71.4 | 178.5 | -90.6 | -38.8 | 0 | 0 | 0 | 112.4 | ||||
| 409 | S | 35 | Very low | 34.3 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | -154 | 51.9 | 171.1 | -81.2 | 0 | 0 | 0 | 0 | 114.5 | F407 | F407-S409 VanDerWaalsContact C-N 3.33Å; F407-S409 PolarHBondContact O-N 2.98Å | ||
| 410 | Q | 33.9 | Very low | 34.8 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | -167.8 | 138.9 | 151.3 | -100.4 | 145.8 | 102.1 | 0 | 0 | 105.3 | ||||
| 411 | I | 30.9 | Very low | 35 | Very low | 168 Ų | 168 | 143 Ų | 143 | 86% | 0.862 | 77% | 0.766 | S | S | * | * | cis | -140.7 | 147.7 | 47.8 | -72.2 | 159.4 | 0 | 0 | 0 | 110.5 | ||||
| 412 | G | 31 | Very low | 34.9 | Very low | 55 Ų | 55 | 147.4 Ų | 147.4 | 57% | 0.567 | 78% | 0.776 | S | S | * | * | trans | -99.9 | 146.9 | 166 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 413 | F | 30.5 | Very low | 35 | Very low | 216 Ų | 216 | 149.8 Ų | 149.8 | 95% | 0.947 | 79% | 0.789 | S | S | * | * | trans | 40.1 | 106 | 158.5 | -61 | -88.4 | 0 | 0 | 0 | 119.4 | ||||
| 414 | S | 27.7 | Very low | 35.2 | Very low | 130 Ų | 130 | 148.8 Ų | 148.8 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | -156.8 | 168 | 113.3 | -158.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 415 | R | 36.3 | Very low | 35.3 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -103.4 | 133.8 | -175.7 | 169.7 | -173.4 | 177.3 | -172.1 | -0 | 110.5 | E417 | R415-E417 IonicContact CZ-OE2 2.66Å; R415-E417 IonicContact NE-OE2 2.72Å; R415-E417 IonicContact NH2-OE2 3.86Å; R415-E417 PolarHBondContact NH2-OE2 2.71Å | ||
| 416 | N | 28.7 | Very low | 35.2 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | trans | -157.5 | 157.8 | 138.3 | -99.3 | -17.8 | 0 | 0 | 0 | 109.5 | ||||
| 417 | E | 43.9 | Very low | 35.3 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | trans | -100.2 | 133 | -169.4 | -59.1 | 178.4 | 74.5 | 0 | 0 | 109.9 | R415 | R415-E417 IonicContact CZ-OE2 2.66Å; R415-E417 IonicContact NE-OE2 2.72Å; R415-E417 IonicContact NH2-OE2 3.86Å; R415-E417 PolarHBondContact NH2-OE2 2.71Å | ||
| 418 | D | 32.2 | Very low | 35.7 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | 175.9 | 102.6 | 118.2 | -104.2 | -39.7 | 0 | 0 | 0 | 114 | |||||
| 419 | S | 32.4 | Very low | 36.3 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | 58.2 | 171.7 | 153.4 | -63.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 420 | P | 38.6 | Very low | 36.9 | Very low | 125 Ų | 125 | 147.2 Ų | 147.2 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | cis | -108.5 | -176.2 | -25.7 | 38.6 | -26.8 | 0 | 0 | 0 | 112.3 | ||||
| 421 | K | 38.1 | Very low | 37.5 | Very low | 199 Ų | 199 | 146 Ų | 146 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -68.4 | 131.6 | -171.3 | -57 | 170.5 | -176.1 | 172.8 | 0 | 113.9 | ||||
| 422 | Q | 33.3 | Very low | 38.6 | Very low | 193 Ų | 193 | 139.3 Ų | 139.3 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -112.6 | 126.4 | 149.9 | -73.9 | -166.2 | 4.2 | 0 | 0 | 110 | G424 | Q422-G424 PolarHBondContact O-N 2.86Š| ||
| 423 | T | 39.3 | Very low | 40.1 | Very low | 142 Ų | 142 | 141 Ų | 141 | 87% | 0.871 | 76% | 0.764 | S | S | * | * | trans | -92.2 | 65.4 | -175.7 | -43.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 424 | G | 40.4 | Very low | 41.6 | Very low | 58 Ų | 58 | 135.1 Ų | 135.1 | 60% | 0.598 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 144.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q422 | Q422-G424 PolarHBondContact O-N 2.86Š|
| 425 | P | 38.4 | Very low | 42.8 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 143.5 | 169.7 | 29.2 | -33.9 | 0 | 0 | 0 | 109.9 | ||
| 426 | P | 40 | Very low | 44.6 | Very low | 109 Ų | 109 | 129 Ų | 129 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 146.9 | 178.7 | 26.4 | -34.6 | 0 | 0 | 0 | 110.8 | K428 | P426-K428 PolarHBondContact O-N 3.1Š|
| 427 | P | 40 | Very low | 46.3 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 127.4 | -179.7 | 23.6 | -33.5 | 0 | 0 | 0 | 110.1 | M429 | P427-M429 VanDerWaalsContact C-N 3.34Å; P427-M429 PolarHBondContact O-N 2.72Å |
| 428 | K | 46 | Very low | 47.6 | Very low | 205 Ų | 205 | 123.2 Ų | 123.2 | 89% | 0.891 | 71% | 0.713 | S | S | * | * | trans | -69.5 | 89.9 | -179.5 | -70.2 | -178.9 | 179.9 | 176.6 | 0 | 109.6 | P426 T430 | P426-K428 PolarHBondContact O-N 3.1Å; K428-T430 PolarHBondContact O-N 2.73Å; K428-T430 VanDerWaalsContact O-N 3.15Å | ||
| 429 | M | 46.5 | Very low | 49.5 | Very low | 168 Ų | 168 | 119.8 Ų | 119.8 | 83% | 0.828 | 70% | 0.698 | S | S | * | * | trans | -53.1 | 121.7 | 163 | -63.7 | -178.4 | 80.6 | 0 | 0 | 107.9 | P427 R431 | P427-M429 VanDerWaalsContact C-N 3.34Å; P427-M429 PolarHBondContact O-N 2.72Å; M429-R431 PolarHBondContact O-N 2.97Å | ||
| 430 | T | 46.6 | Very low | 51.5 | Low | 143 Ų | 143 | 117.2 Ų | 117.2 | 88% | 0.877 | 67% | 0.673 | S | S | * | * | trans | -61.7 | 100.8 | 171.8 | 24.2 | 0 | 0 | 0 | 0 | 108.1 | K428 G432 | K428-T430 PolarHBondContact O-N 2.73Å; K428-T430 VanDerWaalsContact O-N 3.15Å; T430-G432 PolarHBondContact O-N 3.36Å | ||
| 431 | R | 47.2 | Very low | 53 | Low | 160 Ų | 160 | 115.1 Ų | 115.1 | 60% | 0.604 | 66% | 0.662 | S | S | * | * | trans | -57.5 | 124.5 | 172.5 | -85.4 | 170.6 | 145.9 | -176.4 | -3.9 | 108.1 | M429 P439 | M429-R431 PolarHBondContact O-N 2.97Å; R431-P439 HydrophobicContact CB-CB 4.26Å | ||
| 432 | G | 52.6 | Low | 54.3 | Low | 27 Ų | 27 | 113.4 Ų | 113.4 | 28% | 0.278 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -62.9 | 144.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | T430 F440 | T430-G432 PolarHBondContact O-N 3.36Å; G432-F440 VanDerWaalsContact C-CD1 3.43Å; G432-F440 WeakPolarHBondContact O-CD1 3.23Å; G432-F440 PolarHBondContact O-N 3.47Å |
| 433 | T | 62.8 | Low | 55.6 | Low | 90 Ų | 90 | 113.8 Ų | 113.8 | 55% | 0.552 | 65% | 0.649 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.5 | 176.7 | -38.6 | 0 | 0 | 0 | 0 | 107.8 | G437 K438 | T433-G437 VanDerWaalsContact CG2-O 3.24Å; T433-G437 WeakPolarHBondContact CG2-O 3.27Å; T433-K438 WeakPolarHBondContact CA-O 3.36Å |
| 434 | H | 62.5 | Low | 56.6 | Low | 92 Ų | 92 | 116.7 Ų | 116.7 | 43% | 0.426 | 65% | 0.646 | S | S | . | * | trans | -70.7 | 165.1 | 169.8 | -70.4 | -65.6 | 0 | 0 | 0 | 110.2 | D436 G437 K438 F440 | H434-D436 VanDerWaalsContact CB-OD1 3.24Å; H434-D436 WeakPolarHBondContact CB-OD1 3.21Å; H434-D436 PolarHBondContact O-N 3.46Å; H434-D436 VanDerWaalsContact O-N 3.09Å; H434-G437 PolarHBondContact O-N 3.04Å; H434-K438 PolarHBondContact N-O 2.91Å; H434-F440 AromaticContact CD2-CD1 3.44Å; H434-F440 VanDerWaalsContact CD2-CD1 3.44Å; H434-F440 WeakPolarHBondContact CD2-CD1 3.5Å; H434-F440 AromaticContact CD2-CG 3.98Å; H434-F440 AromaticContact CE1-CD1 3.56Å; H434-F440 AromaticContact CE1-CE1 3.92Å; H434-F440 AromaticContact CE1-CG 3.97Å; H434-F440 AromaticContact CG-CD1 3.69Å; H434-F440 AromaticContact ND1-CD1 3.76Å; H434-F440 AromaticContact ND1-CE1 3.9Å; H434-F440 WeakPolarHBondContact NE2-CB 3.42Å; H434-F440 AromaticContact NE2-CD1 3.35Å; H434-F440 WeakPolarHBondContact NE2-CD1 3.5Å; H434-F440 AromaticContact NE2-CG 3.54Å | ||
| 435 | G | 53.4 | Low | 57.8 | Low | 97 Ų | 97 | 125.1 Ų | 125.1 | 100% | 1 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -14 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G437 | G435-G437 VanDerWaalsContact C-N 3.33Š|
| 436 | D | 73.8 | Confident | 59.3 | Low | 93 Ų | 93 | 123.8 Ų | 123.8 | 50% | 0.497 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.2 | 5.9 | 173.5 | 72.9 | -17.5 | 0 | 0 | 0 | 113.5 | H434 K438 | H434-D436 VanDerWaalsContact CB-OD1 3.24Å; H434-D436 WeakPolarHBondContact CB-OD1 3.21Å; H434-D436 PolarHBondContact O-N 3.46Å; H434-D436 VanDerWaalsContact O-N 3.09Å; D436-K438 VanDerWaalsContact C-N 3.31Å; D436-K438 PolarHBondContact O-N 2.79Å; D436-K438 WeakPolarHBondContact OD1-CB 3.22Å; D436-K438 PolarHBondContact OD1-N 3.28Å; D436-K438 VanDerWaalsContact OD2-CD 3.31Å; D436-K438 WeakPolarHBondContact OD2-CD 3.29Å; D436-K438 WeakPolarHBondContact OD2-CE 3.43Å; D436-K438 WeakPolarHBondContact OD2-CG 3.25Å; D436-K438 IonicContact OD2-NZ 3.01Å; D436-K438 PolarHBondContact OD2-NZ 3.4Å |
| 437 | G | 64.6 | Low | 61.1 | Low | 52 Ų | 52 | 120.8 Ų | 120.8 | 54% | 0.536 | 63% | 0.631 | S | S | . | * | S | Bend | trans | 81.1 | -0.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | T433 H434 G435 | T433-G437 VanDerWaalsContact CG2-O 3.24Å; T433-G437 WeakPolarHBondContact CG2-O 3.27Å; H434-G437 PolarHBondContact O-N 3.04Å; G435-G437 VanDerWaalsContact C-N 3.33Å |
| 438 | K | 71.6 | Confident | 62.9 | Low | 132 Ų | 132 | 117.9 Ų | 117.9 | 57% | 0.574 | 62% | 0.623 | S | S | * | * | trans | -78.1 | 130.8 | 179.3 | -64.8 | -170.6 | -169.3 | 97.2 | 0 | 111.7 | T433 H434 D436 | T433-K438 WeakPolarHBondContact CA-O 3.36Å; H434-K438 PolarHBondContact N-O 2.91Å; D436-K438 VanDerWaalsContact C-N 3.31Å; D436-K438 PolarHBondContact O-N 2.79Å; D436-K438 WeakPolarHBondContact OD1-CB 3.22Å; D436-K438 PolarHBondContact OD1-N 3.28Å; D436-K438 VanDerWaalsContact OD2-CD 3.31Å; D436-K438 WeakPolarHBondContact OD2-CD 3.29Å; D436-K438 WeakPolarHBondContact OD2-CE 3.43Å; D436-K438 WeakPolarHBondContact OD2-CG 3.25Å; D436-K438 IonicContact OD2-NZ 3.01Å; D436-K438 PolarHBondContact OD2-NZ 3.4Å | ||
| 439 | P | 72.1 | Confident | 64.3 | Low | 77 Ų | 77 | 113 Ų | 113 | 50% | 0.5 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.7 | 130.7 | 177.6 | 29.8 | -33.2 | 0 | 0 | 0 | 111.7 | R431 | R431-P439 HydrophobicContact CB-CB 4.26Å |
| 440 | F | 73.9 | Confident | 65.7 | Low | 60 Ų | 60 | 108.3 Ų | 108.3 | 26% | 0.263 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116 | 161.1 | 173.5 | 71 | -93.1 | 0 | 0 | 0 | 112.3 | G432 H434 Y442 | G432-F440 VanDerWaalsContact C-CD1 3.43Å; G432-F440 WeakPolarHBondContact O-CD1 3.23Å; G432-F440 PolarHBondContact O-N 3.47Å; H434-F440 AromaticContact CD2-CD1 3.44Å; H434-F440 VanDerWaalsContact CD2-CD1 3.44Å; H434-F440 WeakPolarHBondContact CD2-CD1 3.5Å; H434-F440 AromaticContact CD2-CG 3.98Å; H434-F440 AromaticContact CE1-CD1 3.56Å; H434-F440 AromaticContact CE1-CE1 3.92Å; H434-F440 AromaticContact CE1-CG 3.97Å; H434-F440 AromaticContact CG-CD1 3.69Å; H434-F440 AromaticContact ND1-CD1 3.76Å; H434-F440 AromaticContact ND1-CE1 3.9Å; H434-F440 WeakPolarHBondContact NE2-CB 3.42Å; H434-F440 AromaticContact NE2-CD1 3.35Å; H434-F440 WeakPolarHBondContact NE2-CD1 3.5Å; H434-F440 AromaticContact NE2-CG 3.54Å; F440-Y442 HydrophobicContact CD2-CD2 4.11Å; F440-Y442 AromaticContact CD2-CE2 3.69Å; F440-Y442 HydrophobicContact CD2-CE2 3.69Å; F440-Y442 HydrophobicContact CE2-CD2 4.05Å; F440-Y442 AromaticContact CE2-CE2 3.49Å; F440-Y442 HydrophobicContact CE2-CE2 3.49Å; F440-Y442 VanDerWaalsContact CE2-CE2 3.49Å |
| 441 | S | 70.3 | Confident | 67.1 | Low | 81 Ų | 81 | 106.8 Ų | 106.8 | 57% | 0.566 | 57% | 0.567 | S | S | * | * | trans | -158.6 | 112.4 | 174.1 | 54.9 | 0 | 0 | 0 | 0 | 110.3 | K443 | S441-K443 PolarHBondContact O-N 3.02Š| ||
| 442 | Y | 64.6 | Low | 68.3 | Low | 163 Ų | 163 | 104.5 Ų | 104.5 | 64% | 0.639 | 56% | 0.563 | S | S | * | * | trans | -74.6 | 124.8 | 175.5 | -60.9 | -66.7 | 0 | 0 | 0 | 110.7 | F440 | F440-Y442 HydrophobicContact CD2-CD2 4.11Å; F440-Y442 AromaticContact CD2-CE2 3.69Å; F440-Y442 HydrophobicContact CD2-CE2 3.69Å; F440-Y442 HydrophobicContact CE2-CD2 4.05Å; F440-Y442 AromaticContact CE2-CE2 3.49Å; F440-Y442 HydrophobicContact CE2-CE2 3.49Å; F440-Y442 VanDerWaalsContact CE2-CE2 3.49Å | ||
| 443 | K | 60.4 | Low | 69.4 | Low | 200 Ų | 200 | 106.8 Ų | 106.8 | 87% | 0.87 | 57% | 0.569 | S | S | * | * | trans | -116.1 | 89.9 | 173.9 | -173.2 | 174.4 | -178 | 174.2 | 0 | 109.8 | S441 R445 | S441-K443 PolarHBondContact O-N 3.02Å; K443-R445 PolarHBondContact O-N 3.42Å | ||
| 444 | Y | 61.3 | Low | 69.9 | Low | 204 Ų | 204 | 109.8 Ų | 109.8 | 80% | 0.8 | 58% | 0.575 | S | S | * | * | trans | -63.4 | 116.3 | 174.7 | -67.5 | -81.2 | 0 | 0 | 0 | 110.5 | ||||
| 445 | R | 66.3 | Low | 70.2 | Confident | 235 Ų | 235 | 108.9 Ų | 108.9 | 89% | 0.887 | 58% | 0.579 | S | S | * | * | trans | -87 | 108.3 | 164.8 | 179.9 | -176 | -78.6 | -136.7 | 1.9 | 107.2 | K443 S447 | K443-R445 PolarHBondContact O-N 3.42Å; R445-S447 PolarHBondContact O-N 2.79Å | ||
| 446 | V | 67.9 | Low | 71.3 | Confident | 91 Ų | 91 | 110.2 Ų | 110.2 | 55% | 0.552 | 56% | 0.559 | S | S | * | * | trans | -60.8 | 123.7 | 173.3 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | N450 L451 | V446-N450 HydrophobicContact CG1-CB 4.07Å; V446-L451 HydrophobicContact CG1-CD1 4.4Å; V446-L451 HydrophobicContact CG1-CD2 3.98Å; V446-L451 HydrophobicContact CG1-CG 3.82Å | ||
| 447 | S | 78.2 | Confident | 71.4 | Confident | 47 Ų | 47 | 112.6 Ų | 112.6 | 33% | 0.329 | 57% | 0.565 | S | S | . | * | trans | -87.2 | 165.2 | 174.6 | 88.5 | 0 | 0 | 0 | 0 | 111.1 | R445 Q449 N450 L451 | R445-S447 PolarHBondContact O-N 2.79Å; S447-Q449 PolarHBondContact O-N 3.44Å; S447-Q449 WeakPolarHBondContact OG-CB 3.44Å; S447-Q449 PolarHBondContact OG-N 2.72Å; S447-Q449 VanDerWaalsContact OG-N 3.14Å; S447-N450 WeakPolarHBondContact CB-OD1 3.14Å; S447-N450 PolarHBondContact O-N 2.76Å; S447-N450 PolarHBondContact OG-N 3.03Å; S447-N450 VanDerWaalsContact OG-N 3.11Å; S447-N450 PolarHBondContact OG-OD1 2.79Å; S447-L451 PolarHBondContact O-N 3.36Å | ||
| 448 | G | 77.7 | Confident | 72.1 | Confident | 59 Ų | 59 | 119.7 Ų | 119.7 | 61% | 0.608 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.9 | -36.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L451 Q452 | G448-L451 PolarHBondContact O-N 3.07Å; G448-Q452 PolarHBondContact O-N 2.84Å; G448-Q452 VanDerWaalsContact O-N 3.12Å |
| 449 | Q | 75.3 | Confident | 72.4 | Confident | 103 Ų | 103 | 117.1 Ų | 117.1 | 48% | 0.481 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62 | -47 | 176.6 | -169.7 | 60.7 | 51 | 0 | 0 | 111.2 | S447 L451 Q452 D453 | S447-Q449 PolarHBondContact O-N 3.44Å; S447-Q449 WeakPolarHBondContact OG-CB 3.44Å; S447-Q449 PolarHBondContact OG-N 2.72Å; S447-Q449 VanDerWaalsContact OG-N 3.14Å; Q449-L451 PolarHBondContact O-N 3.23Å; Q449-Q452 CarbonylContact O-C 3.52Å; Q449-Q452 WeakPolarHBondContact O-CA 3.34Å; Q449-Q452 WeakPolarHBondContact O-CB 3.5Å; Q449-Q452 PolarHBondContact O-N 2.97Å; Q449-D453 PolarHBondContact NE2-OD1 2.93Å; Q449-D453 PolarHBondContact O-N 2.94Å |
| 450 | N | 77.1 | Confident | 72.8 | Confident | 68 Ų | 68 | 116.1 Ų | 116.1 | 36% | 0.364 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -55.7 | -40.9 | 179.2 | -61.5 | 36.4 | 0 | 0 | 0 | 111.7 | V446 S447 D453 F454 | V446-N450 HydrophobicContact CG1-CB 4.07Å; S447-N450 WeakPolarHBondContact CB-OD1 3.14Å; S447-N450 PolarHBondContact O-N 2.76Å; S447-N450 PolarHBondContact OG-N 3.03Å; S447-N450 VanDerWaalsContact OG-N 3.11Å; S447-N450 PolarHBondContact OG-OD1 2.79Å; N450-D453 PolarHBondContact O-N 2.7Å; N450-F454 WeakPolarHBondContact O-CB 3.4Å; N450-F454 WeakPolarHBondContact O-CD2 3.26Å; N450-F454 PolarHBondContact O-N 2.9Å |
| 451 | L | 75.6 | Confident | 72.9 | Confident | 112 Ų | 112 | 116.3 Ų | 116.3 | 59% | 0.586 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.4 | -37.1 | 176.6 | -67.3 | 171 | 0 | 0 | 0 | 111.9 | V446 S447 G448 Q449 S455 | V446-L451 HydrophobicContact CG1-CD1 4.4Å; V446-L451 HydrophobicContact CG1-CD2 3.98Å; V446-L451 HydrophobicContact CG1-CG 3.82Å; S447-L451 PolarHBondContact O-N 3.36Å; G448-L451 PolarHBondContact O-N 3.07Å; Q449-L451 PolarHBondContact O-N 3.23Å; L451-S455 WeakPolarHBondContact O-CB 3.35Å; L451-S455 PolarHBondContact O-N 3.48Å |
| 452 | Q | 72.8 | Confident | 73.2 | Confident | 111 Ų | 111 | 117 Ų | 117 | 52% | 0.519 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.1 | -38.1 | 176.7 | -167.9 | 164.8 | -2 | 0 | 0 | 111.7 | G448 Q449 S455 Q456 | G448-Q452 PolarHBondContact O-N 2.84Å; G448-Q452 VanDerWaalsContact O-N 3.12Å; Q449-Q452 CarbonylContact O-C 3.52Å; Q449-Q452 WeakPolarHBondContact O-CA 3.34Å; Q449-Q452 WeakPolarHBondContact O-CB 3.5Å; Q449-Q452 PolarHBondContact O-N 2.97Å; Q452-S455 PolarHBondContact O-N 3.36Å; Q452-S455 PolarHBondContact O-OG 3.46Å; Q452-Q456 WeakPolarHBondContact O-CG 3.21Å; Q452-Q456 PolarHBondContact O-N 3.43Å; Q452-Q456 PolarHBondContact O-NE2 2.85Å; Q452-Q456 VanDerWaalsContact O-NE2 3.16Å |
| 453 | D | 74.8 | Confident | 73.6 | Confident | 76 Ų | 76 | 114.4 Ų | 114.4 | 41% | 0.406 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.4 | -46.2 | 175.4 | -54.7 | -29.1 | 0 | 0 | 0 | 110.9 | Q449 N450 S455 Q456 F457 | Q449-D453 PolarHBondContact NE2-OD1 2.93Å; Q449-D453 PolarHBondContact O-N 2.94Å; N450-D453 PolarHBondContact O-N 2.7Å; D453-S455 VanDerWaalsContact C-N 3.27Å; D453-S455 PolarHBondContact O-N 3.21Å; D453-Q456 PolarHBondContact O-N 2.84Å; D453-Q456 VanDerWaalsContact O-N 3.12Å; D453-F457 PolarHBondContact O-N 3.48Å; D453-F457 VanDerWaalsContact O-N 3.1Å |
| 454 | F | 72.8 | Confident | 74.3 | Confident | 153 Ų | 153 | 109.3 Ų | 109.3 | 67% | 0.671 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.4 | -29.1 | 174.1 | -79.4 | -58.9 | 0 | 0 | 0 | 113.1 | N450 Q456 F457 | N450-F454 WeakPolarHBondContact O-CB 3.4Å; N450-F454 WeakPolarHBondContact O-CD2 3.26Å; N450-F454 PolarHBondContact O-N 2.9Å; F454-Q456 VanDerWaalsContact C-N 3.3Å; F454-Q456 PolarHBondContact O-N 3.41Å; F454-F457 WeakPolarHBondContact O-CB 3.29Å; F454-F457 PolarHBondContact O-N 3.38Å |
| 455 | S | 70.3 | Confident | 74.9 | Confident | 73 Ų | 73 | 105.9 Ų | 105.9 | 51% | 0.51 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -72 | -24.9 | 175 | 76.6 | 0 | 0 | 0 | 0 | 113.7 | L451 Q452 D453 R458 | L451-S455 WeakPolarHBondContact O-CB 3.35Å; L451-S455 PolarHBondContact O-N 3.48Å; Q452-S455 PolarHBondContact O-N 3.36Å; Q452-S455 PolarHBondContact O-OG 3.46Å; D453-S455 VanDerWaalsContact C-N 3.27Å; D453-S455 PolarHBondContact O-N 3.21Å; S455-R458 PolarHBondContact O-NH1 2.96Å |
| 456 | Q | 76.3 | Confident | 75.5 | Confident | 124 Ų | 124 | 101 Ų | 101 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -84.2 | -19.2 | 173.5 | -69.5 | 172.5 | 81.4 | 0 | 0 | 112.6 | Q452 D453 F454 R458 | Q452-Q456 WeakPolarHBondContact O-CG 3.21Å; Q452-Q456 PolarHBondContact O-N 3.43Å; Q452-Q456 PolarHBondContact O-NE2 2.85Å; Q452-Q456 VanDerWaalsContact O-NE2 3.16Å; D453-Q456 PolarHBondContact O-N 2.84Å; D453-Q456 VanDerWaalsContact O-N 3.12Å; F454-Q456 VanDerWaalsContact C-N 3.3Å; F454-Q456 PolarHBondContact O-N 3.41Å; Q456-R458 PolarHBondContact O-N 3.3Å; Q456-R458 VanDerWaalsContact O-N 3.14Å |
| 457 | F | 75.6 | Confident | 75.7 | Confident | 144 Ų | 144 | 98 Ų | 98 | 63% | 0.632 | 52% | 0.522 | S | S | * | . | trans | -60.9 | 116.1 | 178.2 | -167.8 | -105.5 | 0 | 0 | 0 | 111.3 | D453 F454 V459 | D453-F457 PolarHBondContact O-N 3.48Å; D453-F457 VanDerWaalsContact O-N 3.1Å; F454-F457 WeakPolarHBondContact O-CB 3.29Å; F454-F457 PolarHBondContact O-N 3.38Å; F457-V459 HydrophobicContact CD1-CG2 4.17Å; F457-V459 HydrophobicContact CE1-CG2 3.69Å | ||
| 458 | R | 79.5 | Confident | 75.5 | Confident | 200 Ų | 200 | 99.7 Ų | 99.7 | 76% | 0.755 | 53% | 0.528 | S | S | * | . | trans | -114.4 | 107.3 | 179.1 | -71.4 | -70.7 | -178.8 | -85.2 | -1.3 | 109.5 | S455 Q456 A460 | S455-R458 PolarHBondContact O-NH1 2.96Å; Q456-R458 PolarHBondContact O-N 3.3Å; Q456-R458 VanDerWaalsContact O-N 3.14Å; R458-A460 PolarHBondContact O-N 2.79Å | ||
| 459 | V | 77.8 | Confident | 75 | Confident | 78 Ų | 78 | 106.2 Ų | 106.2 | 47% | 0.473 | 53% | 0.534 | S | S | . | . | trans | -67.4 | 130.1 | 169.2 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | F457 A461 L463 L464 | F457-V459 HydrophobicContact CD1-CG2 4.17Å; F457-V459 HydrophobicContact CE1-CG2 3.69Å; V459-A461 PolarHBondContact O-N 3.5Å; V459-L463 HydrophobicContact CG1-CB 4.26Å; V459-L464 HydrophobicContact CG1-CB 4.47Å | ||
| 460 | A | 81.4 | Confident | 74 | Confident | 56 Ų | 56 | 109 Ų | 109 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | trans | -59.6 | 132.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | R458 S462 L463 L464 | R458-A460 PolarHBondContact O-N 2.79Å; A460-S462 PolarHBondContact O-N 2.84Å; A460-S462 VanDerWaalsContact O-N 3.12Å; A460-L463 HydrophobicContact CB-CB 4.42Å; A460-L463 WeakPolarHBondContact O-CA 3.31Å; A460-L463 WeakPolarHBondContact O-CB 3.31Å; A460-L463 PolarHBondContact O-N 3.35Å; A460-L464 PolarHBondContact O-N 2.85Å; A460-L464 VanDerWaalsContact O-N 3.13Å | ||
| 461 | A | 74.6 | Confident | 73.4 | Confident | 65 Ų | 65 | 112.5 Ų | 112.5 | 54% | 0.537 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.8 | -28.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V459 H465 | V459-A461 PolarHBondContact O-N 3.5Å; A461-H465 WeakPolarHBondContact O-CB 3.16Å; A461-H465 PolarHBondContact O-N 2.91Å; A461-H465 PolarHBondContact O-ND1 3.19Å |
| 462 | S | 76.1 | Confident | 72.7 | Confident | 95 Ų | 95 | 113.2 Ų | 113.2 | 66% | 0.664 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.1 | -38.4 | 172.3 | 48.4 | 0 | 0 | 0 | 0 | 112.9 | A460 W466 | A460-S462 PolarHBondContact O-N 2.84Å; A460-S462 VanDerWaalsContact O-N 3.12Å; S462-W466 WeakPolarHBondContact O-CB 3.5Å; S462-W466 PolarHBondContact O-N 2.95Å |
| 463 | L | 73.1 | Confident | 71.8 | Confident | 108 Ų | 108 | 112.5 Ų | 112.5 | 57% | 0.565 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.9 | -35.8 | -179.6 | -141.8 | 153.4 | 0 | 0 | 0 | 110.7 | V459 A460 W466 A467 | V459-L463 HydrophobicContact CG1-CB 4.26Å; A460-L463 HydrophobicContact CB-CB 4.42Å; A460-L463 WeakPolarHBondContact O-CA 3.31Å; A460-L463 WeakPolarHBondContact O-CB 3.31Å; A460-L463 PolarHBondContact O-N 3.35Å; L463-W466 PolarHBondContact O-N 3.36Å; L463-A467 PolarHBondContact O-N 3.01Å |
| 464 | L | 76.7 | Confident | 70.6 | Confident | 93 Ų | 93 | 114.5 Ų | 114.5 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.4 | -45 | 171.7 | -163.2 | 74.1 | 0 | 0 | 0 | 112.1 | V459 A460 W466 A467 L468 | V459-L464 HydrophobicContact CG1-CB 4.47Å; A460-L464 PolarHBondContact O-N 2.85Å; A460-L464 VanDerWaalsContact O-N 3.13Å; L464-W466 VanDerWaalsContact C-N 3.31Å; L464-W466 PolarHBondContact O-N 3.33Å; L464-A467 PolarHBondContact O-N 3.4Å; L464-L468 HydrophobicContact CG-CD1 4.34Å; L464-L468 WeakPolarHBondContact O-CG 3.32Å; L464-L468 PolarHBondContact O-N 3.41Å |
| 465 | H | 73.4 | Confident | 69.5 | Low | 133 Ų | 133 | 116.3 Ų | 116.3 | 62% | 0.616 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.9 | -36.9 | 174.1 | -81 | 91.1 | 0 | 0 | 0 | 112.5 | A461 R469 | A461-H465 WeakPolarHBondContact O-CB 3.16Å; A461-H465 PolarHBondContact O-N 2.91Å; A461-H465 PolarHBondContact O-ND1 3.19Å; H465-R469 VanDerWaalsContact O-CB 3.3Å; H465-R469 WeakPolarHBondContact O-CB 3.22Å; H465-R469 PolarHBondContact O-N 2.85Å |
| 466 | W | 79.2 | Confident | 68.5 | Low | 132 Ų | 132 | 118 Ų | 118 | 50% | 0.5 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.6 | -50.1 | 172.6 | -179.4 | 86.2 | 0 | 0 | 0 | 111 | S462 L463 L464 L468 R469 Y470 | S462-W466 WeakPolarHBondContact O-CB 3.5Å; S462-W466 PolarHBondContact O-N 2.95Å; L463-W466 PolarHBondContact O-N 3.36Å; L464-W466 VanDerWaalsContact C-N 3.31Å; L464-W466 PolarHBondContact O-N 3.33Å; W466-L468 PolarHBondContact O-N 3.2Å; W466-R469 PolarHBondContact O-N 2.9Å; W466-Y470 AromaticContact CD1-CD2 3.83Å; W466-Y470 AromaticContact CD1-CE2 3.68Å; W466-Y470 HydrophobicContact CD2-CD2 4.15Å; W466-Y470 AromaticContact CE2-CD2 3.65Å; W466-Y470 AromaticContact CE2-CE2 3.85Å; W466-Y470 HydrophobicContact CG-CD2 4.23Å; W466-Y470 HydrophobicContact CG-CE2 4.5Å; W466-Y470 HydrophobicContact CZ2-CD2 4.08Å; W466-Y470 HydrophobicContact CZ2-CE2 4.36Å; W466-Y470 HydrophobicContact CZ2-CG 4.35Å; W466-Y470 AromaticContact NE1-CD2 3.46Å; W466-Y470 AromaticContact NE1-CE2 3.2Å; W466-Y470 WeakPolarHBondContact O-CD2 3.14Å; W466-Y470 PolarHBondContact O-N 3.19Å; W466-Y470 VanDerWaalsContact O-N 3.14Å |
| 467 | A | 70.8 | Confident | 66.8 | Low | 27 Ų | 27 | 118.3 Ų | 118.3 | 22% | 0.223 | 61% | 0.611 | C | S | . | * | H | α-helix | trans | -59.5 | -48.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L463 L464 R469 Y470 L471 | L463-A467 PolarHBondContact O-N 3.01Å; L464-A467 PolarHBondContact O-N 3.4Å; A467-R469 VanDerWaalsContact C-N 3.34Å; A467-R469 PolarHBondContact O-N 3.31Å; A467-Y470 PolarHBondContact O-N 2.98Å; A467-L471 HydrophobicContact CB-CD1 4.41Å; A467-L471 VanDerWaalsContact O-CB 3.3Å; A467-L471 WeakPolarHBondContact O-CB 3.42Å; A467-L471 VanDerWaalsContact O-CG 3.29Å; A467-L471 WeakPolarHBondContact O-CG 3.38Å; A467-L471 PolarHBondContact O-N 3.38Å |
| 468 | L | 74.3 | Confident | 65 | Low | 84 Ų | 84 | 120.4 Ų | 120.4 | 44% | 0.44 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -58.9 | -44.2 | 178.6 | -68.6 | 167.9 | 0 | 0 | 0 | 111.9 | L464 W466 Y470 L472 | L464-L468 HydrophobicContact CG-CD1 4.34Å; L464-L468 WeakPolarHBondContact O-CG 3.32Å; L464-L468 PolarHBondContact O-N 3.41Å; W466-L468 PolarHBondContact O-N 3.2Å; L468-Y470 VanDerWaalsContact C-N 3.34Å; L468-Y470 PolarHBondContact O-N 2.9Å; L468-L472 HydrophobicContact CD2-CD1 3.58Å; L468-L472 WeakPolarHBondContact O-CB 3.14Å; L468-L472 PolarHBondContact O-N 3Å |
| 469 | R | 67.3 | Low | 63 | Low | 195 Ų | 195 | 117.5 Ų | 117.5 | 74% | 0.736 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.5 | -35.5 | -179.5 | -170 | 177.2 | -173.1 | 178.6 | 3.2 | 113 | H465 W466 A467 T473 | H465-R469 VanDerWaalsContact O-CB 3.3Å; H465-R469 WeakPolarHBondContact O-CB 3.22Å; H465-R469 PolarHBondContact O-N 2.85Å; W466-R469 PolarHBondContact O-N 2.9Å; A467-R469 VanDerWaalsContact C-N 3.34Å; A467-R469 PolarHBondContact O-N 3.31Å; R469-T473 PolarHBondContact O-OG1 3.4Å |
| 470 | Y | 55.3 | Low | 62.3 | Low | 162 Ų | 162 | 118.7 Ų | 118.7 | 64% | 0.635 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -87 | -26.4 | -179.8 | -85.4 | -86.9 | 0 | 0 | 0 | 114.3 | W466 A467 L468 | W466-Y470 AromaticContact CD1-CD2 3.83Å; W466-Y470 AromaticContact CD1-CE2 3.68Å; W466-Y470 HydrophobicContact CD2-CD2 4.15Å; W466-Y470 AromaticContact CE2-CD2 3.65Å; W466-Y470 AromaticContact CE2-CE2 3.85Å; W466-Y470 HydrophobicContact CG-CD2 4.23Å; W466-Y470 HydrophobicContact CG-CE2 4.5Å; W466-Y470 HydrophobicContact CZ2-CD2 4.08Å; W466-Y470 HydrophobicContact CZ2-CE2 4.36Å; W466-Y470 HydrophobicContact CZ2-CG 4.35Å; W466-Y470 AromaticContact NE1-CD2 3.46Å; W466-Y470 AromaticContact NE1-CE2 3.2Å; W466-Y470 WeakPolarHBondContact O-CD2 3.14Å; W466-Y470 PolarHBondContact O-N 3.19Å; W466-Y470 VanDerWaalsContact O-N 3.14Å; A467-Y470 PolarHBondContact O-N 2.98Å; L468-Y470 VanDerWaalsContact C-N 3.34Å; L468-Y470 PolarHBondContact O-N 2.9Å |
| 471 | L | 64.3 | Low | 60.1 | Low | 141 Ų | 141 | 125.3 Ų | 125.3 | 74% | 0.738 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -99.4 | -22.9 | -174.4 | -62.6 | 174.3 | 0 | 0 | 0 | 114.5 | A467 | A467-L471 HydrophobicContact CB-CD1 4.41Å; A467-L471 VanDerWaalsContact O-CB 3.3Å; A467-L471 WeakPolarHBondContact O-CB 3.42Å; A467-L471 VanDerWaalsContact O-CG 3.29Å; A467-L471 WeakPolarHBondContact O-CG 3.38Å; A467-L471 PolarHBondContact O-N 3.38Å |
| 472 | L | 61.3 | Low | 58 | Low | 127 Ų | 127 | 127 Ų | 127 | 67% | 0.665 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -114.6 | 2.2 | -173.9 | -60.2 | 179.6 | 0 | 0 | 0 | 114.9 | L468 P474 | L468-L472 HydrophobicContact CD2-CD1 3.58Å; L468-L472 WeakPolarHBondContact O-CB 3.14Å; L468-L472 PolarHBondContact O-N 3Å; L472-P474 WeakPolarHBondContact O-CD 3.28Å |
| 473 | T | 52.6 | Low | 56.2 | Low | 97 Ų | 97 | 128.5 Ų | 128.5 | 60% | 0.595 | 67% | 0.665 | S | S | * | * | trans | -110 | 83.5 | -178.9 | -24.4 | 0 | 0 | 0 | 0 | 111.3 | R469 K475 | R469-T473 PolarHBondContact O-OG1 3.4Å; T473-K475 PolarHBondContact O-N 2.91Å | ||
| 474 | P | 50.8 | Low | 54.6 | Low | 117 Ų | 117 | 134.4 Ų | 134.4 | 76% | 0.76 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 125.2 | 167.9 | 28.2 | -33 | 0 | 0 | 0 | 108.6 | L472 | L472-P474 WeakPolarHBondContact O-CD 3.28Š|
| 475 | K | 49.5 | Very low | 53.5 | Low | 192 Ų | 192 | 136.5 Ų | 136.5 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 129.6 | 177 | -164.4 | -174.1 | -179.8 | -161.7 | 0 | 108.6 | T473 | T473-K475 PolarHBondContact O-N 2.91Š|
| 476 | P | 48.4 | Very low | 52.4 | Low | 109 Ų | 109 | 136.7 Ų | 136.7 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 138.6 | 174.7 | 27.5 | -34.1 | 0 | 0 | 0 | 110.2 | ||
| 477 | T | 41.1 | Very low | 50.9 | Low | 130 Ų | 130 | 136.9 Ų | 136.9 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | trans | -80.8 | 112 | 169.1 | -47.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 478 | E | 37.4 | Very low | 49.8 | Very low | 187 Ų | 187 | 143.4 Ų | 143.4 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | trans | -83 | 140.5 | 162 | -72.2 | -174.8 | 147.2 | 0 | 0 | 109.2 | ||||
| 479 | D | 37.6 | Very low | 48.2 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -158.3 | 158.3 | -169.1 | -155.2 | 41 | 0 | 0 | 0 | 107.5 | ||||
| 480 | P | 62.9 | Low | 46.9 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | -125.1 | 134 | -64.6 | 32.8 | -20.5 | 0 | 0 | 0 | 113 | |||||
| 481 | Q | 35.8 | Very low | 46.4 | Very low | 194 Ų | 194 | 142.6 Ų | 142.6 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | trans | -150.7 | 147.5 | 168.6 | -71.3 | -166.7 | -32.1 | 0 | 0 | 110.1 | ||||
| 482 | S | 31 | Very low | 45 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | cis | -162.7 | 152.6 | -17 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 483 | V | 38.1 | Very low | 43.6 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | -11.4 | 121.8 | 164.1 | -160 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 484 | D | 37.9 | Very low | 42.8 | Very low | 233 Ų | 233 | 148.4 Ų | 148.4 | 100% | 1.246 | 82% | 0.82 | S | S | * | * | -168.1 | 0 | 112.4 | -93.1 | -24.5 | 0 | 0 | 0 | 111 |
Retrieved 484 of 484 residues in 1000.7 ms
(Link to these results)