| 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 | 43.2 | Very low | 69.4 | Low | 138 Ų | 138 | 78.2 Ų | 78.2 | 68% | 0.68 | 46% | 0.458 | S | S | * | . | 0 | -167.8 | 0 | -68.9 | 166.4 | -178.9 | 0 | 0 | 108 | N42 | M1-N42 PolarHBondContact N-O 3.12Å; M1-N42 VanDerWaalsContact N-O 3.14Å | |||
| 2 | G | 45.9 | Very low | 70.7 | Confident | 55 Ų | 55 | 72.9 Ų | 72.9 | 57% | 0.567 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -75 | 163.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 3 | V | 55.9 | Low | 71.9 | Confident | 132 Ų | 132 | 67.6 Ų | 67.6 | 80% | 0.8 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 138.1 | 169.2 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | ||
| 4 | I | 64.9 | Low | 72.9 | Confident | 47 Ų | 47 | 74.4 Ų | 74.4 | 24% | 0.241 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 136.5 | -169.1 | -62.8 | 170.9 | 0 | 0 | 0 | 109.7 | K8 I9 H78 | I4-K8 HydrophobicContact CG2-CB 4.15Å; I4-K8 HydrophobicContact CG2-CD 4.11Å; I4-I9 HydrophobicContact CG2-CG1 4.3Å; I4-H78 HydrophobicContact CD1-CB 3.41Å; I4-H78 VanDerWaalsContact CD1-CB 3.41Å; I4-H78 VanDerWaalsContact CD1-CG 3.45Å |
| 5 | G | 69.8 | Low | 73.8 | Confident | 47 Ų | 47 | 73.7 Ų | 73.7 | 49% | 0.485 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 136.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D7 K8 | G5-D7 PolarHBondContact O-N 3.11Å; G5-D7 VanDerWaalsContact O-N 3.13Å; G5-K8 WeakPolarHBondContact O-CB 3.43Å; G5-K8 PolarHBondContact O-N 3.41Å |
| 6 | L | 72.5 | Confident | 74.5 | Confident | 66 Ų | 66 | 70.2 Ų | 70.2 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -43.9 | -43.5 | 177.8 | -79.7 | 160.2 | 0 | 0 | 0 | 113.8 | K8 I9 K10 E557 | L6-K8 PolarHBondContact O-N 3.14Å; L6-I9 WeakPolarHBondContact O-CA 3.39Å; L6-I9 WeakPolarHBondContact O-CB 3.28Å; L6-I9 PolarHBondContact O-N 2.98Å; L6-K10 PolarHBondContact O-N 3.08Å; L6-E557 HydrophobicContact CD2-CB 4.1Å; L6-E557 VanDerWaalsContact CD2-CD 3.48Å; L6-E557 HydrophobicContact CD2-CG 4.31Å; L6-E557 WeakPolarHBondContact CD2-OE2 3.49Å |
| 7 | D | 79.1 | Confident | 75.3 | Confident | 104 Ų | 104 | 68.2 Ų | 68.2 | 56% | 0.556 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -68.3 | -23.8 | -175 | -53 | -57 | 0 | 0 | 0 | 113.1 | G5 K10 T11 | G5-D7 PolarHBondContact O-N 3.11Å; G5-D7 VanDerWaalsContact O-N 3.13Å; D7-K10 WeakPolarHBondContact OD1-CE 3.44Å; D7-K10 IonicContact OD1-NZ 2.7Å; D7-K10 PolarHBondContact OD1-NZ 2.76Å; D7-T11 WeakPolarHBondContact O-CB 3.28Å; D7-T11 PolarHBondContact O-N 3.34Å; D7-T11 PolarHBondContact O-OG1 3.22Å |
| 8 | K | 81.4 | Confident | 76.1 | Confident | 79 Ų | 79 | 66.2 Ų | 66.2 | 34% | 0.343 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.2 | -40 | 169.5 | -166.6 | 178.3 | -174.9 | -176 | 0 | 111.3 | I4 G5 L6 T11 L12 H78 E85 | I4-K8 HydrophobicContact CG2-CB 4.15Å; I4-K8 HydrophobicContact CG2-CD 4.11Å; G5-K8 WeakPolarHBondContact O-CB 3.43Å; G5-K8 PolarHBondContact O-N 3.41Å; L6-K8 PolarHBondContact O-N 3.14Å; K8-T11 PolarHBondContact O-N 3.01Å; K8-L12 WeakPolarHBondContact O-CG 3.31Å; K8-L12 PolarHBondContact O-N 2.68Å; K8-H78 WeakPolarHBondContact CE-NE2 3.43Å; K8-H78 PolarHBondContact NZ-NE2 3.3Å; K8-E85 WeakPolarHBondContact CE-OE2 3.48Å; K8-E85 IonicContact NZ-OE1 2.72Å; K8-E85 PolarHBondContact NZ-OE1 3.22Å; K8-E85 IonicContact NZ-OE2 3.19Å; K8-E85 PolarHBondContact NZ-OE2 3.06Å |
| 9 | I | 81.8 | Confident | 76.8 | Confident | 15 Ų | 15 | 62.7 Ų | 62.7 | 8% | 0.077 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.6 | -49 | 176 | -58.8 | 173.2 | 0 | 0 | 0 | 109.6 | I4 L6 T11 L12 Q13 L87 L550 M552 | I4-I9 HydrophobicContact CG2-CG1 4.3Å; L6-I9 WeakPolarHBondContact O-CA 3.39Å; L6-I9 WeakPolarHBondContact O-CB 3.28Å; L6-I9 PolarHBondContact O-N 2.98Å; I9-T11 VanDerWaalsContact C-N 3.25Å; I9-T11 PolarHBondContact O-N 2.82Å; I9-L12 PolarHBondContact O-N 2.82Å; I9-Q13 HydrophobicContact CG2-CG 4.25Å; I9-Q13 WeakPolarHBondContact O-CG 3.29Å; I9-Q13 PolarHBondContact O-N 3.45Å; I9-L87 HydrophobicContact CG2-CD1 4.2Å; I9-L87 HydrophobicContact CG2-CD2 4.28Å; I9-L550 HydrophobicContact CG2-CD2 3.75Å; I9-M552 HydrophobicContact CD1-CE 3.82Å |
| 10 | K | 83.3 | Confident | 77.6 | Confident | 82 Ų | 82 | 60.6 Ų | 60.6 | 36% | 0.357 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -53.1 | -41.9 | 173.5 | -63.5 | 175.2 | -166.7 | 163.2 | 0 | 112.6 | L6 D7 Q13 R14 L559 | L6-K10 PolarHBondContact O-N 3.08Å; D7-K10 WeakPolarHBondContact OD1-CE 3.44Å; D7-K10 IonicContact OD1-NZ 2.7Å; D7-K10 PolarHBondContact OD1-NZ 2.76Å; K10-Q13 PolarHBondContact O-N 2.79Å; K10-R14 PolarHBondContact O-N 3.32Å; K10-L559 HydrophobicContact CG-CD2 4.21Å |
| 11 | T | 85.9 | Confident | 78.3 | Confident | 95 Ų | 95 | 57.7 Ų | 57.7 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.4 | -38.8 | 179.1 | -58 | 0 | 0 | 0 | 0 | 111.9 | D7 K8 I9 | D7-T11 WeakPolarHBondContact O-CB 3.28Å; D7-T11 PolarHBondContact O-N 3.34Å; D7-T11 PolarHBondContact O-OG1 3.22Å; K8-T11 PolarHBondContact O-N 3.01Å; I9-T11 VanDerWaalsContact C-N 3.25Å; I9-T11 PolarHBondContact O-N 2.82Å |
| 12 | L | 85.2 | Confident | 80.7 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -75.2 | -37.2 | 177 | -66.6 | 170.5 | 0 | 0 | 0 | 112.6 | K8 I9 R14 N15 E85 L87 | K8-L12 WeakPolarHBondContact O-CG 3.31Å; K8-L12 PolarHBondContact O-N 2.68Å; I9-L12 PolarHBondContact O-N 2.82Å; L12-R14 PolarHBondContact O-N 2.79Å; L12-N15 PolarHBondContact O-N 3.41Å; L12-E85 HydrophobicContact CD1-CB 4.4Å; L12-E85 HydrophobicContact CD2-CB 3.84Å; L12-L87 HydrophobicContact CB-CB 4.36Å |
| 13 | Q | 85.4 | Confident | 83 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.5 | -34.1 | 175.8 | -74.7 | 177.4 | -42.1 | 0 | 0 | 112.5 | I9 K10 N15 L87 P563 N566 | I9-Q13 HydrophobicContact CG2-CG 4.25Å; I9-Q13 WeakPolarHBondContact O-CG 3.29Å; I9-Q13 PolarHBondContact O-N 3.45Å; K10-Q13 PolarHBondContact O-N 2.79Å; Q13-N15 PolarHBondContact O-N 2.81Å; Q13-L87 HydrophobicContact CB-CD2 4.43Å; Q13-L87 HydrophobicContact CG-CD2 3.4Å; Q13-L87 VanDerWaalsContact CG-CD2 3.4Å; Q13-P563 HydrophobicContact CB-CG 4.18Å; Q13-P563 WeakPolarHBondContact O-CG 3.2Å; Q13-N566 PolarHBondContact O-ND2 3.46Å |
| 14 | R | 86 | Confident | 84.7 | Confident | 162 Ų | 162 | 42.4 Ų | 42.4 | 61% | 0.611 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -8.9 | 177.9 | -74.5 | 177.3 | 171.8 | 175.7 | -2 | 114.9 | K10 L12 E561 | K10-R14 PolarHBondContact O-N 3.32Å; L12-R14 PolarHBondContact O-N 2.79Å; R14-E561 IonicContact CZ-OE1 2.74Å; R14-E561 IonicContact NE-OE1 2.76Å; R14-E561 IonicContact NH2-OE1 3.1Å; R14-E561 PolarHBondContact NH2-OE1 2.8Å |
| 15 | N | 87.4 | Confident | 86 | Confident | 65 Ų | 65 | 40.1 Ų | 40.1 | 35% | 0.348 | 21% | 0.213 | S | C | . | . | trans | -116.7 | 94.7 | 176.2 | 179.2 | 12.1 | 0 | 0 | 0 | 111.2 | L12 Q13 A17 N18 | L12-N15 PolarHBondContact O-N 3.41Å; Q13-N15 PolarHBondContact O-N 2.81Å; N15-A17 PolarHBondContact O-N 3.05Å; N15-A17 VanDerWaalsContact O-N 3.13Å; N15-A17 WeakPolarHBondContact OD1-CB 3.43Å; N15-A17 PolarHBondContact OD1-N 3.38Å; N15-N18 PolarHBondContact ND2-OD1 3.03Å; N15-N18 PolarHBondContact O-N 3.43Å | ||
| 16 | P | 84.9 | Confident | 87 | Confident | 17 Ų | 17 | 38.1 Ų | 38.1 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -61.6 | -23.5 | -177.4 | 23.1 | -32.7 | 0 | 0 | 0 | 114 | N18 I19 P367 L368 | P16-N18 PolarHBondContact O-N 2.8Å; P16-I19 PolarHBondContact O-N 2.98Å; P16-I19 VanDerWaalsContact O-N 3.17Å; P16-P367 WeakPolarHBondContact O-CD 3.48Å; P16-L368 HydrophobicContact CB-CD2 4.47Å; P16-L368 HydrophobicContact CB-CG 4.3Å; P16-L368 HydrophobicContact CG-CD1 4.32Å; P16-L368 HydrophobicContact CG-CD2 4.14Å; P16-L368 HydrophobicContact CG-CG 4.32Å |
| 17 | A | 87.5 | Confident | 87.7 | Confident | 36 Ų | 36 | 35.8 Ų | 35.8 | 30% | 0.298 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -62.7 | -25.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N15 R20 L368 | N15-A17 PolarHBondContact O-N 3.05Å; N15-A17 VanDerWaalsContact O-N 3.13Å; N15-A17 WeakPolarHBondContact OD1-CB 3.43Å; N15-A17 PolarHBondContact OD1-N 3.38Å; A17-R20 PolarHBondContact O-NH1 2.72Å; A17-L368 HydrophobicContact CB-CD1 3.82Å |
| 18 | N | 89.1 | Confident | 87.9 | Confident | 32 Ų | 32 | 32.2 Ų | 32.2 | 17% | 0.171 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -96.6 | -1.1 | -179.7 | -70.1 | 24.5 | 0 | 0 | 0 | 113.2 | N15 P16 E85 Y86 L87 | N15-N18 PolarHBondContact ND2-OD1 3.03Å; N15-N18 PolarHBondContact O-N 3.43Å; P16-N18 PolarHBondContact O-N 2.8Å; N18-E85 WeakPolarHBondContact CB-O 3.3Å; N18-E85 PolarHBondContact ND2-O 3.21Å; N18-Y86 WeakPolarHBondContact O-CA 3.48Å; N18-L87 PolarHBondContact O-N 3.06Å |
| 19 | I | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 144.5 | 176.6 | -57.4 | 176.2 | 0 | 0 | 0 | 109.7 | P16 L87 P367 N566 | P16-I19 PolarHBondContact O-N 2.98Å; P16-I19 VanDerWaalsContact O-N 3.17Å; I19-L87 CarbonylContact C-O 3.5Å; I19-L87 VanDerWaalsContact CA-O 3.27Å; I19-L87 WeakPolarHBondContact CA-O 3.25Å; I19-P367 HydrophobicContact CB-CG 4.16Å; I19-P367 HydrophobicContact CG2-CG 4.17Å; I19-P367 WeakPolarHBondContact O-CD 3.41Å; I19-N566 WeakPolarHBondContact CD1-ND2 3.11Å; I19-N566 WeakPolarHBondContact CD1-OD1 3.48Å |
| 20 | R | 92.1 | Very high | 88.3 | Confident | 20 Ų | 20 | 33 Ų | 33 | 8% | 0.075 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 127.4 | 160.5 | -58.6 | -67.2 | -178.9 | -85.9 | 9.4 | 109.6 | A17 L87 L88 N89 L364 P365 | A17-R20 PolarHBondContact O-NH1 2.72Å; R20-L87 PolarHBondContact N-O 3.17Å; R20-L88 HydrophobicContact CB-CD2 3.64Å; R20-L88 HydrophobicContact CG-CD2 3.75Å; R20-L88 CarbonylContact O-C 3.54Å; R20-L88 WeakPolarHBondContact O-CA 3.47Å; R20-N89 PolarHBondContact O-N 2.78Å; R20-L364 WeakPolarHBondContact CD-O 3.36Å; R20-L364 PolarHBondContact NE-O 3.29Å; R20-P365 WeakPolarHBondContact CD-O 3.41Å; R20-P365 PolarHBondContact NE-O 3.48Å |
| 21 | N | 92.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 117.5 | 172.1 | -52.7 | -64.1 | 0 | 0 | 0 | 108.8 | N89 D111 G112 G565 V567 | N21-N89 WeakPolarHBondContact OD1-CB 3.43Å; N21-N89 PolarHBondContact OD1-ND2 2.81Å; N21-D111 WeakPolarHBondContact CB-OD2 3.41Å; N21-D111 PolarHBondContact ND2-OD2 3.45Å; N21-D111 PolarHBondContact O-N 3.25Å; N21-G112 PolarHBondContact O-N 3.41Å; N21-G565 PolarHBondContact ND2-O 2.97Å; N21-G565 PolarHBondContact OD1-O 3.15Å; N21-V567 HydrophobicContact CB-CG2 4.44Å |
| 22 | L | 93.3 | Very high | 88.6 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 138 | -169.6 | 68.6 | 96.2 | 0 | 0 | 0 | 112.1 | L88 N89 L90 I91 G112 I114 V360 L364 | L22-L88 HydrophobicContact CD2-CB 4.11Å; L22-N89 PolarHBondContact N-O 3.13Å; L22-L90 HydrophobicContact CD1-CB 4.1Å; L22-L90 HydrophobicContact CD1-CD1 3.62Å; L22-L90 HydrophobicContact CD1-CG 4.44Å; L22-L90 WeakPolarHBondContact O-CA 3.38Å; L22-I91 PolarHBondContact O-N 3.48Å; L22-G112 WeakPolarHBondContact CA-O 3.44Å; L22-I114 HydrophobicContact CD1-CD1 3.83Å; L22-I114 HydrophobicContact CD1-CG1 4.4Å; L22-V360 HydrophobicContact CD2-CG1 3.78Å; L22-V360 HydrophobicContact CD2-CG2 4.33Å; L22-L364 HydrophobicContact CB-CD1 3.87Å |
| 23 | C | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 145.6 | 171.3 | 50.9 | 0 | 0 | 0 | 0 | 111 | L25 I91 C110 G112 A113 I114 | C23-L25 HydrophobicContact CB-CD2 4.2Å; C23-L25 HydrophobicContact CB-CG 4.45Å; C23-I91 CarbonylContact C-O 3.52Å; C23-I91 WeakPolarHBondContact CA-O 3.45Å; C23-C110 HydrophobicContact CB-CB 4.45Å; C23-C110 PolarHBondContact N-SG 3.14Å; C23-G112 PolarHBondContact N-O 3.35Å; C23-G112 VanDerWaalsContact N-O 3.17Å; C23-A113 CarbonylContact O-C 3.56Å; C23-A113 WeakPolarHBondContact O-CA 3.45Å; C23-I114 PolarHBondContact O-N 2.9Å |
| 24 | I | 93.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.9 | 164.7 | -55.5 | 168.6 | 0 | 0 | 0 | 108.3 | K32 L35 A36 L39 L90 I91 S93 I114 V116 | I24-K32 HydrophobicContact CB-CG 4.26Å; I24-K32 HydrophobicContact CG2-CG 3.53Å; I24-L35 HydrophobicContact CD1-CD2 3.85Å; I24-A36 HydrophobicContact CD1-CB 3.82Å; I24-L39 HydrophobicContact CD1-CD1 4.34Å; I24-L90 HydrophobicContact CD1-CD1 3.44Å; I24-L90 VanDerWaalsContact CD1-CD1 3.44Å; I24-L90 HydrophobicContact CD1-CD2 4.24Å; I24-L90 HydrophobicContact CD1-CG 4.49Å; I24-L90 HydrophobicContact CG1-CD1 3.48Å; I24-L90 VanDerWaalsContact CG1-CD1 3.48Å; I24-I91 PolarHBondContact N-O 3.11Å; I24-S93 PolarHBondContact O-OG 3.48Å; I24-S93 VanDerWaalsContact O-OG 3.12Å; I24-I114 HydrophobicContact CG1-CB 4.33Å; I24-I114 HydrophobicContact CG1-CD1 4.34Å; I24-V116 HydrophobicContact CG2-CG2 3.61Å |
| 25 | L | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122.7 | -171.2 | -68.7 | -168.7 | 0 | 0 | 0 | 109.5 | C23 V103 V107 A113 I114 V115 V116 V130 A134 | C23-L25 HydrophobicContact CB-CD2 4.2Å; C23-L25 HydrophobicContact CB-CG 4.45Å; L25-V103 HydrophobicContact CD2-CG1 3.68Å; L25-V107 HydrophobicContact CD1-CG2 3.98Å; L25-V107 HydrophobicContact CD2-CG2 3.76Å; L25-V107 HydrophobicContact CG-CG2 4.49Å; L25-A113 HydrophobicContact CD1-CB 3.5Å; L25-A113 HydrophobicContact CG-CB 4.08Å; L25-I114 PolarHBondContact N-O 2.95Å; L25-V115 HydrophobicContact CB-CG2 4.49Å; L25-V115 CarbonylContact O-C 3.52Å; L25-V115 WeakPolarHBondContact O-CA 3.29Å; L25-V116 PolarHBondContact O-N 3.46Å; L25-V130 HydrophobicContact CB-CG1 3.54Å; L25-V130 HydrophobicContact CD1-CG1 3.6Å; L25-V130 HydrophobicContact CD2-CG1 3.82Å; L25-V130 HydrophobicContact CG-CG1 3.83Å; L25-A134 HydrophobicContact CD1-CB 4.18Å |
| 26 | A | 90.4 | Very high | 89.2 | Confident | 5 Ų | 5 | 16.3 Ų | 16.3 | 4% | 0.041 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 159.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | H30 K32 V116 | A26-H30 HydrophobicContact CB-CB 4.19Å; A26-K32 HydrophobicContact CB-CB 3.72Å; A26-K32 HydrophobicContact CB-CD 4.23Å; A26-K32 HydrophobicContact CB-CG 3.67Å; A26-V116 HydrophobicContact CB-CB 3.96Å |
| 27 | H | 86.2 | Confident | 89.4 | Confident | 17 Ų | 17 | 15.5 Ų | 15.5 | 8% | 0.079 | 9% | 0.092 | C | C | . | . | trans | -68.4 | 161.5 | 159.6 | -175.8 | 37 | 0 | 0 | 0 | 110.2 | H30 C124 Q126 M975 Q1036 | H27-H30 AromaticContact CD2-CD2 3.93Å; H27-H30 AromaticContact CD2-NE2 3.68Å; H27-H30 PolarHBondContact O-N 2.78Å; H27-C124 HydrophobicContact CB-CB 4.42Å; H27-Q126 HydrophobicContact CB-CB 4.37Å; H27-Q126 PolarHBondContact CE1-NE2 3.23Å; H27-Q126 PolarHBondContact ND1-OE1 3.33Å; H27-M975 WeakPolarHBondContact NE2-CE 3.4Å; H27-Q1036 PolarHBondContact CE1-NE2 2.88Å | ||
| 28 | V | 82.9 | Confident | 89.4 | Confident | 29 Ų | 29 | 14.1 Ų | 14.1 | 18% | 0.176 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47 | 141.6 | 165.8 | -168.9 | 0 | 0 | 0 | 0 | 110.1 | H30 I68 G95 H96 | V28-H30 PolarHBondContact O-N 2.93Å; V28-I68 HydrophobicContact CG1-CG2 4.23Å; V28-G95 WeakPolarHBondContact CG2-O 3.47Å; V28-G95 PolarHBondContact N-O 3.44Å; V28-G95 VanDerWaalsContact N-O 3.16Å; V28-H96 HydrophobicContact CG2-CB 4.26Å |
| 29 | D | 82.9 | Confident | 89.4 | Confident | 111 Ų | 111 | 12.7 Ų | 12.7 | 59% | 0.594 | 7% | 0.072 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 3.9 | 175.8 | -65.2 | -37.4 | 0 | 0 | 0 | 118.6 | G31 K147 | D29-G31 PolarHBondContact O-N 2.85Å; D29-K147 WeakPolarHBondContact O-CE 3.3Å; D29-K147 PolarHBondContact O-NZ 3.12Å |
| 30 | H | 88.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -62.8 | 6.6 | 170 | -84.7 | -158.4 | 0 | 0 | 0 | 114.9 | A26 H27 V28 V116 E121 N146 | A26-H30 HydrophobicContact CB-CB 4.19Å; H27-H30 AromaticContact CD2-CD2 3.93Å; H27-H30 AromaticContact CD2-NE2 3.68Å; H27-H30 PolarHBondContact O-N 2.78Å; V28-H30 PolarHBondContact O-N 2.93Å; H30-V116 HydrophobicContact CB-CG1 4.47Å; H30-V116 PolarHBondContact ND1-O 2.89Å; H30-V116 WeakPolarHBondContact O-CG1 3.39Å; H30-E121 IonicContact CD2-OE2 3.65Å; H30-E121 IonicContact NE2-OE2 3.2Å; H30-N146 PolarHBondContact O-ND2 2.86Å |
| 31 | G | 86.9 | Confident | 88.8 | Confident | 14 Ų | 14 | 12.3 Ų | 12.3 | 14% | 0.144 | 7% | 0.074 | C | C | . | . | S | Bend | trans | 78.1 | 28.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D29 T34 L35 N146 | D29-G31 PolarHBondContact O-N 2.85Å; G31-T34 WeakPolarHBondContact CA-OG1 3.48Å; G31-T34 PolarHBondContact O-OG1 2.86Å; G31-L35 WeakPolarHBondContact O-CB 3.48Å; G31-L35 PolarHBondContact O-N 3.44Å; G31-N146 PolarHBondContact O-ND2 3.2Å |
| 32 | K | 89 | Confident | 88.3 | Confident | 11 Ų | 11 | 14.6 Ų | 14.6 | 5% | 0.048 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -56.5 | -58.8 | 177.5 | -164.5 | -146.1 | 78.1 | -169.3 | 0 | 111.8 | I24 A26 T34 L35 A36 T69 D92 S93 | I24-K32 HydrophobicContact CB-CG 4.26Å; I24-K32 HydrophobicContact CG2-CG 3.53Å; A26-K32 HydrophobicContact CB-CB 3.72Å; A26-K32 HydrophobicContact CB-CD 4.23Å; A26-K32 HydrophobicContact CB-CG 3.67Å; K32-T34 VanDerWaalsContact C-N 3.33Å; K32-T34 PolarHBondContact O-N 2.84Å; K32-L35 PolarHBondContact O-N 3.07Å; K32-A36 PolarHBondContact O-N 3.13Å; K32-T69 VanDerWaalsContact NZ-CB 3.26Å; K32-T69 PolarHBondContact NZ-OG1 2.86Å; K32-D92 WeakPolarHBondContact CE-OD1 3.15Å; K32-D92 WeakPolarHBondContact CE-OD2 3.35Å; K32-D92 IonicContact NZ-OD1 3.95Å; K32-D92 IonicContact NZ-OD2 3.17Å; K32-D92 PolarHBondContact NZ-OD2 3.08Å; K32-S93 VanDerWaalsContact CD-O 3.28Å; K32-S93 WeakPolarHBondContact CD-O 3.41Å; K32-S93 WeakPolarHBondContact CE-O 3.44Å; K32-S93 PolarHBondContact NZ-O 3.36Å |
| 33 | T | 88.2 | Confident | 87.4 | Confident | 16 Ų | 16 | 14.9 Ų | 14.9 | 10% | 0.098 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.3 | -31.6 | -178.8 | -39.4 | 0 | 0 | 0 | 0 | 112.7 | A36 D37 R55 T69 | T33-A36 PolarHBondContact O-N 2.91Å; T33-D37 WeakPolarHBondContact O-CB 3.45Å; T33-D37 PolarHBondContact O-N 2.82Å; T33-R55 HydrophobicContact CG2-CB 4.11Å; T33-R55 HydrophobicContact CG2-CG 4.13Å; T33-T69 PolarHBondContact OG1-OG1 3.06Å |
| 34 | T | 88.7 | Confident | 86.3 | Confident | 31 Ų | 31 | 16.1 Ų | 16.1 | 19% | 0.19 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -73.7 | -35.5 | 176.4 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | G31 K32 C38 | G31-T34 WeakPolarHBondContact CA-OG1 3.48Å; G31-T34 PolarHBondContact O-OG1 2.86Å; K32-T34 VanDerWaalsContact C-N 3.33Å; K32-T34 PolarHBondContact O-N 2.84Å; T34-C38 PolarHBondContact O-N 2.84Å; T34-C38 PolarHBondContact O-SG 3.18Å; T34-C38 VanDerWaalsContact O-SG 3.4Å |
| 35 | L | 90.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 168.7 | -177.9 | 147.3 | 0 | 0 | 0 | 110.7 | I24 G31 K32 C38 L39 V144 A237 | I24-L35 HydrophobicContact CD1-CD2 3.85Å; G31-L35 WeakPolarHBondContact O-CB 3.48Å; G31-L35 PolarHBondContact O-N 3.44Å; K32-L35 PolarHBondContact O-N 3.07Å; L35-C38 WeakPolarHBondContact O-CB 3.39Å; L35-C38 PolarHBondContact O-N 3.5Å; L35-L39 HydrophobicContact CD2-CD1 3.99Å; L35-L39 HydrophobicContact CD2-CG 4.23Å; L35-L39 PolarHBondContact O-N 3.17Å; L35-L39 VanDerWaalsContact O-N 3.11Å; L35-V144 HydrophobicContact CD1-CB 4.44Å; L35-V144 HydrophobicContact CD1-CG1 3.76Å; L35-A237 HydrophobicContact CB-CB 4.14Å |
| 36 | A | 89.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.5 | -49.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I24 K32 T33 C38 L39 V40 L57 | I24-A36 HydrophobicContact CD1-CB 3.82Å; K32-A36 PolarHBondContact O-N 3.13Å; T33-A36 PolarHBondContact O-N 2.91Å; A36-C38 PolarHBondContact O-N 2.81Å; A36-L39 WeakPolarHBondContact O-CA 3.36Å; A36-L39 WeakPolarHBondContact O-CB 3.45Å; A36-L39 PolarHBondContact O-N 3.47Å; A36-V40 WeakPolarHBondContact O-CG2 3.11Å; A36-V40 PolarHBondContact O-N 2.99Å; A36-L57 HydrophobicContact CB-CD1 3.74Å |
| 37 | D | 88.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -51.5 | -40.5 | 173.4 | -96.7 | 7.5 | 0 | 0 | 0 | 112.1 | T33 V40 A41 G52 R55 Y56 | T33-D37 WeakPolarHBondContact O-CB 3.45Å; T33-D37 PolarHBondContact O-N 2.82Å; D37-V40 PolarHBondContact O-N 3.47Å; D37-A41 WeakPolarHBondContact O-CB 3.28Å; D37-A41 PolarHBondContact O-N 3.13Å; D37-G52 VanDerWaalsContact CB-N 3.29Å; D37-G52 PolarHBondContact OD2-N 3.06Å; D37-R55 WeakPolarHBondContact OD1-CA 3.33Å; D37-R55 PolarHBondContact OD2-N 3.04Å; D37-Y56 PolarHBondContact OD1-N 2.81Å |
| 38 | C | 87.9 | Confident | 82.7 | Confident | 7 Ų | 7 | 25.6 Ų | 25.6 | 5% | 0.047 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.5 | -33.2 | 177.6 | -74.7 | 0 | 0 | 0 | 0 | 112.9 | T34 L35 A36 N42 V352 S353 | T34-C38 PolarHBondContact O-N 2.84Å; T34-C38 PolarHBondContact O-SG 3.18Å; T34-C38 VanDerWaalsContact O-SG 3.4Å; L35-C38 WeakPolarHBondContact O-CB 3.39Å; L35-C38 PolarHBondContact O-N 3.5Å; A36-C38 PolarHBondContact O-N 2.81Å; C38-N42 PolarHBondContact O-N 3.25Å; C38-V352 HydrophobicContact CB-CG1 3.77Å; C38-S353 VanDerWaalsContact C-OG 3.31Å; C38-S353 PolarHBondContact O-OG 3Å |
| 39 | L | 88.7 | Confident | 82.2 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.5 | -46.5 | 170.8 | -58.1 | -174.9 | 0 | 0 | 0 | 111 | I24 L35 A36 A41 N42 L77 L90 V356 L357 | I24-L39 HydrophobicContact CD1-CD1 4.34Å; L35-L39 HydrophobicContact CD2-CD1 3.99Å; L35-L39 HydrophobicContact CD2-CG 4.23Å; L35-L39 PolarHBondContact O-N 3.17Å; L35-L39 VanDerWaalsContact O-N 3.11Å; A36-L39 WeakPolarHBondContact O-CA 3.36Å; A36-L39 WeakPolarHBondContact O-CB 3.45Å; A36-L39 PolarHBondContact O-N 3.47Å; L39-A41 PolarHBondContact O-N 2.7Å; L39-N42 PolarHBondContact O-N 3.3Å; L39-L77 HydrophobicContact CB-CD1 3.86Å; L39-L90 HydrophobicContact CD1-CD2 4.15Å; L39-V356 HydrophobicContact CD2-CB 4.23Å; L39-V356 HydrophobicContact CD2-CG1 4.25Å; L39-L357 HydrophobicContact CD1-CD2 4.5Å; L39-L357 HydrophobicContact CD2-CD1 4.49Å; L39-L357 HydrophobicContact CD2-CD2 4.22Å; L39-L357 HydrophobicContact CD2-CG 4.15Å |
| 40 | V | 86.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.9 | -40 | -179.8 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | A36 D37 N42 N43 I45 I46 Y56 L57 I75 L77 | A36-V40 WeakPolarHBondContact O-CG2 3.11Å; A36-V40 PolarHBondContact O-N 2.99Å; D37-V40 PolarHBondContact O-N 3.47Å; V40-N42 PolarHBondContact O-N 2.7Å; V40-N43 PolarHBondContact O-N 2.73Å; V40-I45 HydrophobicContact CG1-CB 3.74Å; V40-I45 HydrophobicContact CG1-CD1 4.21Å; V40-I45 HydrophobicContact CG1-CG2 3.8Å; V40-I46 HydrophobicContact CB-CD1 3.84Å; V40-I46 HydrophobicContact CG1-CD1 3.46Å; V40-I46 VanDerWaalsContact CG1-CD1 3.46Å; V40-I46 HydrophobicContact CG1-CG1 3.79Å; V40-Y56 HydrophobicContact CG1-CD1 4.29Å; V40-L57 HydrophobicContact CG2-CD1 4.47Å; V40-I75 HydrophobicContact CG1-CD1 3.83Å; V40-I75 HydrophobicContact CG2-CD1 3.88Å; V40-I75 HydrophobicContact CG2-CG2 4.36Å; V40-L77 HydrophobicContact CG2-CD2 4.38Å |
| 41 | A | 84.1 | Confident | 80.7 | Confident | 13 Ų | 13 | 29.9 Ų | 29.9 | 11% | 0.107 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.7 | -30.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D37 L39 N43 G44 I46 A51 | D37-A41 WeakPolarHBondContact O-CB 3.28Å; D37-A41 PolarHBondContact O-N 3.13Å; L39-A41 PolarHBondContact O-N 2.7Å; A41-N43 PolarHBondContact O-N 2.72Å; A41-G44 PolarHBondContact O-N 3.48Å; A41-G44 VanDerWaalsContact O-N 3.16Å; A41-I46 WeakPolarHBondContact CA-O 3.4Å; A41-I46 HydrophobicContact CB-CB 4.33Å; A41-A51 HydrophobicContact CB-CB 3.66Å |
| 42 | N | 81.2 | Confident | 79.8 | Confident | 49 Ų | 49 | 30.4 Ų | 30.4 | 26% | 0.262 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.1 | -37 | 174.6 | 175.8 | 77.9 | 0 | 0 | 0 | 111.9 | M1 C38 L39 V40 G44 | M1-N42 PolarHBondContact N-O 3.12Å; M1-N42 VanDerWaalsContact N-O 3.14Å; C38-N42 PolarHBondContact O-N 3.25Å; L39-N42 PolarHBondContact O-N 3.3Å; V40-N42 PolarHBondContact O-N 2.7Å; N42-G44 PolarHBondContact O-N 3.37Å |
| 43 | N | 75.6 | Confident | 79.1 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -0.2 | -177.5 | -69.4 | 8.6 | 0 | 0 | 0 | 113.3 | V40 A41 I45 L77 H78 | V40-N43 PolarHBondContact O-N 2.73Å; A41-N43 PolarHBondContact O-N 2.72Å; N43-I45 VanDerWaalsContact C-N 3.28Å; N43-I45 HydrophobicContact CB-CD1 4.47Å; N43-I45 PolarHBondContact O-N 3.05Å; N43-L77 WeakPolarHBondContact ND2-CA 3.46Å; N43-L77 WeakPolarHBondContact ND2-CB 3.39Å; N43-H78 PolarHBondContact ND2-N 2.81Å; N43-H78 VanDerWaalsContact ND2-N 3.19Å; N43-H78 PolarHBondContact ND2-O 3.06Å; N43-H78 PolarHBondContact OD1-O 3.35Å |
| 44 | G | 70.8 | Confident | 78.4 | Confident | 26 Ų | 26 | 40.3 Ų | 40.3 | 27% | 0.268 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.3 | 2.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | A41 N42 I46 | A41-G44 PolarHBondContact O-N 3.48Å; A41-G44 VanDerWaalsContact O-N 3.16Å; N42-G44 PolarHBondContact O-N 3.37Å; G44-I46 VanDerWaalsContact C-N 3.28Å |
| 45 | I | 72.3 | Confident | 78 | Confident | 70 Ų | 70 | 42.1 Ų | 42.1 | 36% | 0.359 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -65 | -36 | 173.7 | -59.8 | 172.3 | 0 | 0 | 0 | 110.1 | V40 N43 Y56 I75 | V40-I45 HydrophobicContact CG1-CB 3.74Å; V40-I45 HydrophobicContact CG1-CD1 4.21Å; V40-I45 HydrophobicContact CG1-CG2 3.8Å; N43-I45 VanDerWaalsContact C-N 3.28Å; N43-I45 HydrophobicContact CB-CD1 4.47Å; N43-I45 PolarHBondContact O-N 3.05Å; I45-Y56 HydrophobicContact CG2-CE1 4.42Å; I45-I75 HydrophobicContact CD1-CD1 4.04Å |
| 46 | I | 71.8 | Confident | 77.7 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -123.6 | 145.7 | 174.7 | -51.5 | 162.8 | 0 | 0 | 0 | 108.7 | V40 A41 G44 L50 Y56 | V40-I46 HydrophobicContact CB-CD1 3.84Å; V40-I46 HydrophobicContact CG1-CD1 3.46Å; V40-I46 VanDerWaalsContact CG1-CD1 3.46Å; V40-I46 HydrophobicContact CG1-CG1 3.79Å; A41-I46 WeakPolarHBondContact CA-O 3.4Å; A41-I46 HydrophobicContact CB-CB 4.33Å; G44-I46 VanDerWaalsContact C-N 3.28Å; I46-L50 HydrophobicContact CG2-CB 3.85Å; I46-Y56 VanDerWaalsContact CD1-CB 3.4Å; I46-Y56 HydrophobicContact CD1-CD1 4.24Å; I46-Y56 HydrophobicContact CD1-CD2 4.04Å; I46-Y56 HydrophobicContact CD1-CG 3.65Å; I46-Y56 HydrophobicContact CG1-CD2 4.11Å; I46-Y56 HydrophobicContact CG1-CG 4.19Å |
| 47 | S | 71.9 | Confident | 77.4 | Confident | 68 Ų | 68 | 43.3 Ų | 43.3 | 48% | 0.476 | 23% | 0.232 | S | C | . | . | trans | -67.4 | 138.7 | 170.4 | 84.1 | 0 | 0 | 0 | 0 | 111.5 | R49 L50 A51 | S47-R49 PolarHBondContact O-N 3.13Å; S47-L50 PolarHBondContact O-N 3.33Å; S47-A51 PolarHBondContact O-N 3.23Å | ||
| 48 | S | 70.4 | Confident | 77.3 | Confident | 70 Ų | 70 | 43.3 Ų | 43.3 | 49% | 0.49 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -10.9 | -177.8 | 56.3 | 0 | 0 | 0 | 0 | 115.4 | F343 | S48-F343 VanDerWaalsContact O-CE1 3.3Å; S48-F343 WeakPolarHBondContact O-CE1 3.36Å; S48-F343 WeakPolarHBondContact O-CZ 3.35Å |
| 49 | R | 70.6 | Confident | 76.8 | Confident | 142 Ų | 142 | 45.7 Ų | 45.7 | 54% | 0.536 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -15 | 174.1 | -72.2 | -179.9 | 167.1 | 161 | -3.5 | 114.4 | S47 D332 | S47-R49 PolarHBondContact O-N 3.13Å; R49-D332 IonicContact NH2-OD1 3.94Å; R49-D332 PolarHBondContact NH2-OD1 2.87Å; R49-D332 IonicContact NH2-OD2 3.07Å |
| 50 | L | 72.3 | Confident | 76.3 | Confident | 78 Ų | 78 | 46.7 Ų | 46.7 | 41% | 0.408 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -13.2 | 178.1 | -62 | 174 | 0 | 0 | 0 | 112.4 | I46 S47 K53 L54 | I46-L50 HydrophobicContact CG2-CB 3.85Å; S47-L50 PolarHBondContact O-N 3.33Å; L50-K53 PolarHBondContact O-N 2.98Å; L50-L54 HydrophobicContact CB-CB 4.37Å; L50-L54 HydrophobicContact CB-CD1 4.24Å; L50-L54 HydrophobicContact CD1-CD1 4.04Å; L50-L54 HydrophobicContact CD2-CD1 4.43Å; L50-L54 HydrophobicContact CG-CD1 4.47Å; L50-L54 PolarHBondContact O-N 2.68Å; L50-L54 VanDerWaalsContact O-N 3.12Å |
| 51 | A | 69.1 | Low | 76 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 136.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A41 S47 K53 | A41-A51 HydrophobicContact CB-CB 3.66Å; S47-A51 PolarHBondContact O-N 3.23Å; A51-K53 PolarHBondContact O-N 2.76Å |
| 52 | G | 66.4 | Low | 75.9 | Confident | 26 Ų | 26 | 55.4 Ų | 55.4 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 3.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D37 | D37-G52 VanDerWaalsContact CB-N 3.29Å; D37-G52 PolarHBondContact OD2-N 3.06Å |
| 53 | K | 75.1 | Confident | 75.9 | Confident | 163 Ų | 163 | 53.1 Ų | 53.1 | 71% | 0.709 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.6 | -35.1 | -179.6 | -63.9 | -176.6 | -179.6 | 179.6 | 0 | 113.3 | L50 A51 | L50-K53 PolarHBondContact O-N 2.98Å; A51-K53 PolarHBondContact O-N 2.76Å |
| 54 | L | 74.1 | Confident | 76.3 | Confident | 71 Ų | 71 | 56.4 Ų | 56.4 | 37% | 0.372 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -89 | -17.7 | -171.2 | -159.9 | 138.6 | 0 | 0 | 0 | 113.1 | L50 Y56 | L50-L54 HydrophobicContact CB-CB 4.37Å; L50-L54 HydrophobicContact CB-CD1 4.24Å; L50-L54 HydrophobicContact CD1-CD1 4.04Å; L50-L54 HydrophobicContact CD2-CD1 4.43Å; L50-L54 HydrophobicContact CG-CD1 4.47Å; L50-L54 PolarHBondContact O-N 2.68Å; L50-L54 VanDerWaalsContact O-N 3.12Å; L54-Y56 HydrophobicContact CD2-CD2 4.39Å |
| 55 | R | 80.4 | Confident | 76.9 | Confident | 70 Ų | 70 | 61.3 Ų | 61.3 | 26% | 0.264 | 32% | 0.319 | S | S | . | . | trans | 51.5 | 59.5 | 177.3 | -64.6 | 171.1 | 166 | -107.4 | 10.7 | 111 | T33 D37 L57 D58 G67 R554 | T33-R55 HydrophobicContact CG2-CB 4.11Å; T33-R55 HydrophobicContact CG2-CG 4.13Å; D37-R55 WeakPolarHBondContact OD1-CA 3.33Å; D37-R55 PolarHBondContact OD2-N 3.04Å; R55-L57 PolarHBondContact O-N 3Å; R55-D58 HydrophobicContact CB-CB 4.04Å; R55-D58 WeakPolarHBondContact CD-OD2 3.26Å; R55-D58 IonicContact CZ-OD2 2.7Å; R55-D58 IonicContact NH1-OD2 3.69Å; R55-D58 PolarHBondContact NH1-OD2 3.04Å; R55-D58 PolarHBondContact O-N 3.23Å; R55-D58 VanDerWaalsContact O-N 3.16Å; R55-G67 VanDerWaalsContact CZ-O 3.32Å; R55-G67 VanDerWaalsContact NH1-C 3.29Å; R55-G67 PolarHBondContact NH1-O 3.03Å; R55-G67 PolarHBondContact NH2-O 2.91Å; R55-R554 PolarHBondContact O-NH2 3.46Å; R55-R554 VanDerWaalsContact O-NH2 3.14Å | ||
| 56 | Y | 83.4 | Confident | 77.3 | Confident | 24 Ų | 24 | 61.9 Ų | 61.9 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -31.5 | -167.6 | -179.3 | -97.2 | 0 | 0 | 0 | 113.3 | D37 V40 I45 I46 L54 I75 M552 R554 | D37-Y56 PolarHBondContact OD1-N 2.81Å; V40-Y56 HydrophobicContact CG1-CD1 4.29Å; I45-Y56 HydrophobicContact CG2-CE1 4.42Å; I46-Y56 VanDerWaalsContact CD1-CB 3.4Å; I46-Y56 HydrophobicContact CD1-CD1 4.24Å; I46-Y56 HydrophobicContact CD1-CD2 4.04Å; I46-Y56 HydrophobicContact CD1-CG 3.65Å; I46-Y56 HydrophobicContact CG1-CD2 4.11Å; I46-Y56 HydrophobicContact CG1-CG 4.19Å; L54-Y56 HydrophobicContact CD2-CD2 4.39Å; Y56-I75 HydrophobicContact CD1-CD1 4.43Å; Y56-I75 HydrophobicContact CE1-CD1 4.03Å; Y56-M552 PolarHBondContact OH-O 3.14Å; Y56-R554 HydrophobicContact CE2-CG 4.42Å; Y56-R554 WeakPolarHBondContact O-CG 3.31Å; Y56-R554 PolarHBondContact O-NE 3.25Å |
| 57 | L | 83.8 | Confident | 77.7 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -20.2 | -178.9 | -60.9 | 169.5 | 0 | 0 | 0 | 113.8 | A36 V40 R55 S59 S73 I75 L90 D92 | A36-L57 HydrophobicContact CB-CD1 3.74Å; V40-L57 HydrophobicContact CG2-CD1 4.47Å; R55-L57 PolarHBondContact O-N 3Å; L57-S59 VanDerWaalsContact C-N 3.33Å; L57-S59 PolarHBondContact O-N 3.12Å; L57-S73 PolarHBondContact O-OG 3.44Å; L57-I75 HydrophobicContact CD1-CG2 4.37Å; L57-I75 HydrophobicContact CD2-CB 4.07Å; L57-I75 HydrophobicContact CD2-CD1 4.38Å; L57-I75 HydrophobicContact CD2-CG2 3.91Å; L57-L90 HydrophobicContact CD1-CD2 4.48Å; L57-D92 HydrophobicContact CB-CB 4.44Å; L57-D92 HydrophobicContact CD1-CB 3.92Å |
| 58 | D | 86.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -73.6 | 89.2 | 166 | -64.4 | -18.7 | 0 | 0 | 0 | 106.7 | R55 E63 Q64 T69 R554 | R55-D58 HydrophobicContact CB-CB 4.04Å; R55-D58 WeakPolarHBondContact CD-OD2 3.26Å; R55-D58 IonicContact CZ-OD2 2.7Å; R55-D58 IonicContact NH1-OD2 3.69Å; R55-D58 PolarHBondContact NH1-OD2 3.04Å; R55-D58 PolarHBondContact O-N 3.23Å; R55-D58 VanDerWaalsContact O-N 3.16Å; D58-E63 HydrophobicContact CB-CB 4.03Å; D58-Q64 HydrophobicContact CB-CG 4.26Å; D58-Q64 PolarHBondContact O-NE2 3.39Å; D58-T69 WeakPolarHBondContact OD1-CA 3.45Å; D58-T69 VanDerWaalsContact OD1-CB 3.26Å; D58-T69 WeakPolarHBondContact OD1-CB 3.28Å; D58-T69 WeakPolarHBondContact OD1-CG2 3.4Å; D58-T69 PolarHBondContact OD1-OG1 3.06Å; D58-R554 PolarHBondContact O-NH2 2.86Å | ||
| 59 | S | 76.6 | Confident | 78.9 | Confident | 56 Ų | 56 | 57.4 Ų | 57.4 | 39% | 0.392 | 29% | 0.286 | S | S | . | . | trans | -80.5 | -29.9 | -168.2 | 64.7 | 0 | 0 | 0 | 0 | 113.3 | L57 E63 | L57-S59 VanDerWaalsContact C-N 3.33Å; L57-S59 PolarHBondContact O-N 3.12Å; S59-E63 PolarHBondContact N-OE2 2.95Å; S59-E63 VanDerWaalsContact N-OE2 3.09Å | ||
| 60 | R | 80.2 | Confident | 79.6 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -84.8 | 156.1 | -177.1 | -53.2 | 164.9 | 55.1 | 110.4 | 4.6 | 111.5 | D62 E63 Q64 K71 D658 | R60-D62 WeakPolarHBondContact CB-OD1 3.39Å; R60-D62 IonicContact CZ-OD1 3.26Å; R60-D62 IonicContact CZ-OD2 3.56Å; R60-D62 IonicContact NE-OD1 2.66Å; R60-D62 PolarHBondContact NE-OD1 2.85Å; R60-D62 IonicContact NE-OD2 2.75Å; R60-D62 PolarHBondContact NE-OD2 2.92Å; R60-D62 IonicContact NH2-OD1 3.1Å; R60-D62 IonicContact NH2-OD2 2.74Å; R60-D62 PolarHBondContact NH2-OD2 3.19Å; R60-E63 HydrophobicContact CB-CB 4.3Å; R60-E63 HydrophobicContact CB-CG 3.92Å; R60-E63 WeakPolarHBondContact CB-OE2 3.49Å; R60-E63 HydrophobicContact CG-CG 4.32Å; R60-E63 WeakPolarHBondContact CG-OE2 3.34Å; R60-E63 PolarHBondContact N-OE2 2.99Å; R60-Q64 WeakPolarHBondContact O-CG 3.41Å; R60-Q64 PolarHBondContact O-N 2.7Å; R60-Q64 PolarHBondContact O-NE2 3.04Å; R60-K71 VanDerWaalsContact NH1-CE 3.32Å; R60-D658 IonicContact CZ-OD1 3.76Å; R60-D658 VanDerWaalsContact NH1-CG 3.34Å; R60-D658 IonicContact NH1-OD1 2.76Å; R60-D658 PolarHBondContact NH1-OD1 3.09Å; R60-D658 IonicContact NH1-OD2 2.78Å; R60-D658 PolarHBondContact NH1-OD2 3.19Å; R60-D658 VanDerWaalsContact NH1-OD2 3.1Å; R60-D658 IonicContact NH2-OD1 2.65Å; R60-D658 PolarHBondContact NH2-OD1 3.05Å |
| 61 | E | 79.9 | Confident | 80.1 | Confident | 162 Ų | 162 | 48.2 Ų | 48.2 | 76% | 0.757 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -71.8 | -36.7 | 176.5 | -59.1 | -168.1 | 170.9 | 0 | 0 | 112.2 | Q64 V65 | E61-Q64 PolarHBondContact O-N 2.74Å; E61-V65 WeakPolarHBondContact O-CG2 3.16Å; E61-V65 PolarHBondContact O-N 2.93Å |
| 62 | D | 80.8 | Confident | 81 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 19% | 0.187 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.8 | -33.2 | 177.2 | 64.2 | -14.8 | 0 | 0 | 0 | 113.2 | R60 R66 M70 | R60-D62 WeakPolarHBondContact CB-OD1 3.39Å; R60-D62 IonicContact CZ-OD1 3.26Å; R60-D62 IonicContact CZ-OD2 3.56Å; R60-D62 IonicContact NE-OD1 2.66Å; R60-D62 PolarHBondContact NE-OD1 2.85Å; R60-D62 IonicContact NE-OD2 2.75Å; R60-D62 PolarHBondContact NE-OD2 2.92Å; R60-D62 IonicContact NH2-OD1 3.1Å; R60-D62 IonicContact NH2-OD2 2.74Å; R60-D62 PolarHBondContact NH2-OD2 3.19Å; D62-R66 WeakPolarHBondContact O-CB 3.35Å; D62-R66 WeakPolarHBondContact O-CD 3.45Å; D62-R66 WeakPolarHBondContact O-CG 3.13Å; D62-R66 PolarHBondContact O-N 3.39Å; D62-M70 HydrophobicContact CB-CE 4.12Å; D62-M70 WeakPolarHBondContact OD2-CE 3.03Å |
| 63 | E | 82.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 169.8 | -67.9 | 177.4 | 138.2 | 0 | 0 | 111.3 | D58 S59 R60 G67 I68 M70 K71 | D58-E63 HydrophobicContact CB-CB 4.03Å; S59-E63 PolarHBondContact N-OE2 2.95Å; S59-E63 VanDerWaalsContact N-OE2 3.09Å; R60-E63 HydrophobicContact CB-CB 4.3Å; R60-E63 HydrophobicContact CB-CG 3.92Å; R60-E63 WeakPolarHBondContact CB-OE2 3.49Å; R60-E63 HydrophobicContact CG-CG 4.32Å; R60-E63 WeakPolarHBondContact CG-OE2 3.34Å; R60-E63 PolarHBondContact N-OE2 2.99Å; E63-G67 WeakPolarHBondContact O-CA 3.33Å; E63-G67 PolarHBondContact O-N 2.92Å; E63-I68 WeakPolarHBondContact CA-O 3.35Å; E63-I68 WeakPolarHBondContact CB-O 3.5Å; E63-I68 PolarHBondContact O-N 2.93Å; E63-M70 HydrophobicContact CG-CB 4Å; E63-M70 HydrophobicContact CG-CE 3.76Å; E63-M70 HydrophobicContact CG-CG 4.09Å; E63-M70 WeakPolarHBondContact OE1-CA 3.25Å; E63-M70 PolarHBondContact OE1-N 2.98Å; E63-K71 PolarHBondContact OE1-N 3.25Å |
| 64 | Q | 83.4 | Confident | 82.6 | Confident | 78 Ų | 78 | 40.5 Ų | 40.5 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.3 | -38.7 | 179.2 | -68 | 166.8 | 42.6 | 0 | 0 | 111.9 | D58 R60 E61 | D58-Q64 HydrophobicContact CB-CG 4.26Å; D58-Q64 PolarHBondContact O-NE2 3.39Å; R60-Q64 WeakPolarHBondContact O-CG 3.41Å; R60-Q64 PolarHBondContact O-N 2.7Å; R60-Q64 PolarHBondContact O-NE2 3.04Å; E61-Q64 PolarHBondContact O-N 2.74Å |
| 65 | V | 83.6 | Confident | 83.3 | Confident | 129 Ų | 129 | 37.2 Ų | 37.2 | 78% | 0.782 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -72.6 | -43.4 | 177.2 | 170.1 | 0 | 0 | 0 | 0 | 112.3 | E61 G67 | E61-V65 WeakPolarHBondContact O-CG2 3.16Å; E61-V65 PolarHBondContact O-N 2.93Å; V65-G67 VanDerWaalsContact C-N 3.27Å; V65-G67 PolarHBondContact O-N 3.3Å |
| 66 | R | 79.1 | Confident | 83.7 | Confident | 82 Ų | 82 | 34.3 Ų | 34.3 | 31% | 0.309 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -73.8 | -20.1 | 177 | -66 | 169.8 | -173.1 | -108.9 | -2.9 | 112.6 | D62 I68 Q653 | D62-R66 WeakPolarHBondContact O-CB 3.35Å; D62-R66 WeakPolarHBondContact O-CD 3.45Å; D62-R66 WeakPolarHBondContact O-CG 3.13Å; D62-R66 PolarHBondContact O-N 3.39Å; R66-I68 VanDerWaalsContact C-N 3.28Å; R66-I68 HydrophobicContact CB-CG1 3.92Å; R66-I68 PolarHBondContact O-N 2.85Å; R66-Q653 VanDerWaalsContact NH1-OE1 3.12Å |
| 67 | G | 80.5 | Confident | 83.9 | Confident | 17 Ų | 17 | 33.3 Ų | 33.3 | 18% | 0.175 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 10 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R55 E63 V65 | R55-G67 VanDerWaalsContact CZ-O 3.32Å; R55-G67 VanDerWaalsContact NH1-C 3.29Å; R55-G67 PolarHBondContact NH1-O 3.03Å; R55-G67 PolarHBondContact NH2-O 2.91Å; E63-G67 WeakPolarHBondContact O-CA 3.33Å; E63-G67 PolarHBondContact O-N 2.92Å; V65-G67 VanDerWaalsContact C-N 3.27Å; V65-G67 PolarHBondContact O-N 3.3Å |
| 68 | I | 84 | Confident | 84.1 | Confident | 32 Ų | 32 | 34.1 Ų | 34.1 | 16% | 0.164 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -122 | 133.2 | -178.4 | 64 | 178.8 | 0 | 0 | 0 | 111 | V28 E63 R66 M70 V650 | V28-I68 HydrophobicContact CG1-CG2 4.23Å; E63-I68 WeakPolarHBondContact CA-O 3.35Å; E63-I68 WeakPolarHBondContact CB-O 3.5Å; E63-I68 PolarHBondContact O-N 2.93Å; R66-I68 VanDerWaalsContact C-N 3.28Å; R66-I68 HydrophobicContact CB-CG1 3.92Å; R66-I68 PolarHBondContact O-N 2.85Å; I68-M70 HydrophobicContact CD1-CG 4.33Å; I68-M70 HydrophobicContact CD1-SD 4.47Å; I68-M70 HydrophobicContact CG1-CG 3.99Å; I68-M70 HydrophobicContact CG1-SD 4.45Å; I68-M70 PolarHBondContact O-N 3.14Å; I68-V650 HydrophobicContact CD1-CG1 4.3Å |
| 69 | T | 85.1 | Confident | 84.2 | Confident | 7 Ų | 7 | 34.9 Ų | 34.9 | 4% | 0.043 | 19% | 0.185 | C | C | . | . | trans | -65.9 | 128.2 | 167.1 | -44.5 | 0 | 0 | 0 | 0 | 108.9 | K32 T33 D58 P94 | K32-T69 VanDerWaalsContact NZ-CB 3.26Å; K32-T69 PolarHBondContact NZ-OG1 2.86Å; T33-T69 PolarHBondContact OG1-OG1 3.06Å; D58-T69 WeakPolarHBondContact OD1-CA 3.45Å; D58-T69 VanDerWaalsContact OD1-CB 3.26Å; D58-T69 WeakPolarHBondContact OD1-CB 3.28Å; D58-T69 WeakPolarHBondContact OD1-CG2 3.4Å; D58-T69 PolarHBondContact OD1-OG1 3.06Å; T69-P94 VanDerWaalsContact O-CB 3.27Å; T69-P94 WeakPolarHBondContact O-CB 3.47Å | ||
| 70 | M | 84.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -114.4 | -43.6 | -178.7 | -62.1 | -165.9 | -74.2 | 0 | 0 | 112 | D62 E63 I68 F99 R654 | D62-M70 HydrophobicContact CB-CE 4.12Å; D62-M70 WeakPolarHBondContact OD2-CE 3.03Å; E63-M70 HydrophobicContact CG-CB 4Å; E63-M70 HydrophobicContact CG-CE 3.76Å; E63-M70 HydrophobicContact CG-CG 4.09Å; E63-M70 WeakPolarHBondContact OE1-CA 3.25Å; E63-M70 PolarHBondContact OE1-N 2.98Å; I68-M70 HydrophobicContact CD1-CG 4.33Å; I68-M70 HydrophobicContact CD1-SD 4.47Å; I68-M70 HydrophobicContact CG1-CG 3.99Å; I68-M70 HydrophobicContact CG1-SD 4.45Å; I68-M70 PolarHBondContact O-N 3.14Å; M70-F99 HydrophobicContact CB-CD2 4.24Å; M70-F99 HydrophobicContact CB-CE2 3.83Å; M70-F99 HydrophobicContact CB-CZ 4.02Å; M70-F99 HydrophobicContact CG-CD2 4.26Å; M70-F99 HydrophobicContact CG-CE2 3.53Å; M70-F99 HydrophobicContact CG-CZ 3.93Å; M70-F99 HydrophobicContact SD-CE2 3.88Å; M70-F99 HydrophobicContact SD-CZ 3.79Å; M70-R654 PolarHBondContact O-NH1 2.85Å | ||
| 71 | K | 84 | Confident | 84.6 | Confident | 27 Ų | 27 | 35.4 Ų | 35.4 | 12% | 0.117 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -98.1 | 138.2 | 174.4 | -69.4 | -169.1 | 177.8 | 179.8 | 0 | 110.4 | R60 E63 E102 D658 | R60-K71 VanDerWaalsContact NH1-CE 3.32Å; E63-K71 PolarHBondContact OE1-N 3.25Å; K71-E102 WeakPolarHBondContact CA-OE2 3.19Å; K71-D658 IonicContact NZ-OD2 3.12Å; K71-D658 PolarHBondContact NZ-OD2 3.08Å |
| 72 | S | 86.4 | Confident | 84.5 | Confident | 10 Ų | 10 | 31.4 Ų | 31.4 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | trans | -75.5 | 125.3 | 174.5 | 44.1 | 0 | 0 | 0 | 0 | 111.9 | D92 E102 K417 | S72-D92 WeakPolarHBondContact CA-O 3.31Å; S72-D92 VanDerWaalsContact CB-O 3.28Å; S72-D92 WeakPolarHBondContact CB-O 3.34Å; S72-E102 PolarHBondContact N-OE2 3.26Å; S72-E102 PolarHBondContact OG-O 3.12Å; S72-E102 PolarHBondContact OG-OE2 3.48Å; S72-K417 PolarHBondContact O-NZ 2.89Å; S72-K417 PolarHBondContact OG-NZ 2.87Å | ||
| 73 | S | 86.6 | Confident | 84.5 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146.1 | -174 | -69.3 | 0 | 0 | 0 | 0 | 111.1 | L57 I91 D92 | L57-S73 PolarHBondContact O-OG 3.44Å; S73-I91 WeakPolarHBondContact O-CA 3.49Å; S73-D92 PolarHBondContact N-O 3.23Å; S73-D92 PolarHBondContact O-N 3.41Å |
| 74 | A | 88.8 | Confident | 84.5 | Confident | 13 Ų | 13 | 43 Ų | 43 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 142.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L90 I91 F494 L551 G553 | A74-L90 CarbonylContact C-O 3.54Å; A74-L90 WeakPolarHBondContact CA-O 3.43Å; A74-I91 HydrophobicContact CB-CG1 4.25Å; A74-F494 HydrophobicContact CB-CE2 3.7Å; A74-F494 HydrophobicContact CB-CZ 3.9Å; A74-L551 HydrophobicContact CB-CB 4.04Å; A74-L551 HydrophobicContact CB-CD1 4.01Å; A74-L551 CarbonylContact O-C 3.56Å; A74-G553 WeakPolarHBondContact O-CA 3.44Å; A74-G553 PolarHBondContact O-N 2.73Å |
| 75 | I | 89.8 | Confident | 84.8 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 131.3 | 175.8 | -171 | 161 | 0 | 0 | 0 | 111.4 | V40 I45 Y56 L57 L77 L90 L551 M552 | V40-I75 HydrophobicContact CG1-CD1 3.83Å; V40-I75 HydrophobicContact CG2-CD1 3.88Å; V40-I75 HydrophobicContact CG2-CG2 4.36Å; I45-I75 HydrophobicContact CD1-CD1 4.04Å; Y56-I75 HydrophobicContact CD1-CD1 4.43Å; Y56-I75 HydrophobicContact CE1-CD1 4.03Å; L57-I75 HydrophobicContact CD1-CG2 4.37Å; L57-I75 HydrophobicContact CD2-CB 4.07Å; L57-I75 HydrophobicContact CD2-CD1 4.38Å; L57-I75 HydrophobicContact CD2-CG2 3.91Å; I75-L77 HydrophobicContact CD1-CD2 4.49Å; I75-L77 HydrophobicContact CG1-CD2 4.25Å; I75-L77 HydrophobicContact CG2-CD2 4.38Å; I75-L77 HydrophobicContact CG2-CG 4.42Å; I75-L90 HydrophobicContact CG2-CB 3.92Å; I75-L90 HydrophobicContact CG2-CD2 3.79Å; I75-L90 HydrophobicContact CG2-CG 3.88Å; I75-L90 PolarHBondContact N-O 2.68Å; I75-L90 PolarHBondContact O-N 2.94Å; I75-L551 WeakPolarHBondContact CA-O 3.49Å; I75-M552 HydrophobicContact CG1-SD 4.33Å |
| 76 | S | 88.6 | Confident | 85.1 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 125.2 | 173 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | N89 L550 L551 | S76-N89 PolarHBondContact OG-OD1 3.01Å; S76-L550 WeakPolarHBondContact OG-CD1 3.49Å; S76-L551 PolarHBondContact N-O 3.08Å |
| 77 | L | 88.1 | Confident | 85.7 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.6 | -179.5 | -61.3 | -179.4 | 0 | 0 | 0 | 110.6 | L39 V40 N43 I75 L88 L90 | L39-L77 HydrophobicContact CB-CD1 3.86Å; V40-L77 HydrophobicContact CG2-CD2 4.38Å; N43-L77 WeakPolarHBondContact ND2-CA 3.46Å; N43-L77 WeakPolarHBondContact ND2-CB 3.39Å; I75-L77 HydrophobicContact CD1-CD2 4.49Å; I75-L77 HydrophobicContact CG1-CD2 4.25Å; I75-L77 HydrophobicContact CG2-CD2 4.38Å; I75-L77 HydrophobicContact CG2-CG 4.42Å; L77-L88 HydrophobicContact CB-CB 4.26Å; L77-L88 WeakPolarHBondContact CB-O 3.41Å; L77-L88 PolarHBondContact N-O 3.36Å; L77-L88 WeakPolarHBondContact O-CB 3.39Å; L77-L88 PolarHBondContact O-N 2.95Å; L77-L90 HydrophobicContact CD1-CB 4.06Å; L77-L90 HydrophobicContact CD1-CD2 3.75Å; L77-L90 HydrophobicContact CG-CB 4.43Å |
| 78 | H | 88.2 | Confident | 86.2 | Confident | 19 Ų | 19 | 32.6 Ų | 32.6 | 9% | 0.088 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 138.7 | 169.8 | 169.9 | -82.7 | 0 | 0 | 0 | 110.5 | I4 K8 N43 S80 E85 Y86 | I4-H78 HydrophobicContact CD1-CB 3.41Å; I4-H78 VanDerWaalsContact CD1-CB 3.41Å; I4-H78 VanDerWaalsContact CD1-CG 3.45Å; K8-H78 WeakPolarHBondContact CE-NE2 3.43Å; K8-H78 PolarHBondContact NZ-NE2 3.3Å; N43-H78 PolarHBondContact ND2-N 2.81Å; N43-H78 VanDerWaalsContact ND2-N 3.19Å; N43-H78 PolarHBondContact ND2-O 3.06Å; N43-H78 PolarHBondContact OD1-O 3.35Å; H78-S80 WeakPolarHBondContact CE1-CB 2.77Å; H78-S80 PolarHBondContact CE1-OG 3.49Å; H78-E85 IonicContact CE1-OE1 3.93Å; H78-E85 VanDerWaalsContact NE2-CB 3.28Å; H78-E85 WeakPolarHBondContact NE2-CB 3.24Å; H78-E85 WeakPolarHBondContact NE2-CG 3.39Å; H78-E85 IonicContact NE2-OE1 3.59Å; H78-E85 PolarHBondContact NE2-OE1 2.97Å; H78-E85 IonicContact NE2-OE2 2.72Å; H78-E85 PolarHBondContact NE2-OE2 2.81Å; H78-Y86 WeakPolarHBondContact CA-O 3.14Å |
| 79 | Y | 88.1 | Confident | 86.6 | Confident | 16 Ų | 16 | 31.4 Ų | 31.4 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 135.9 | 173 | -176.3 | -117.6 | 0 | 0 | 0 | 111.2 | T81 Y86 L88 K354 L357 | Y79-T81 WeakPolarHBondContact CE1-OG1 3.38Å; Y79-Y86 PolarHBondContact N-O 2.68Å; Y79-Y86 PolarHBondContact O-N 2.85Å; Y79-L88 HydrophobicContact CG-CD1 4.45Å; Y79-K354 WeakPolarHBondContact OH-CG 3.41Å; Y79-K354 PolarHBondContact OH-O 3.35Å; Y79-L357 HydrophobicContact CD1-CB 3.75Å; Y79-L357 HydrophobicContact CD2-CB 3.85Å; Y79-L357 HydrophobicContact CD2-CD1 3.82Å; Y79-L357 HydrophobicContact CD2-CG 4.5Å; Y79-L357 HydrophobicContact CE1-CB 3.83Å; Y79-L357 HydrophobicContact CE2-CB 3.95Å; Y79-L357 HydrophobicContact CE2-CD1 4.35Å; Y79-L357 HydrophobicContact CG-CB 3.76Å; Y79-L357 HydrophobicContact CG-CD1 4.18Å |
| 80 | S | 85 | Confident | 86.9 | Confident | 38 Ų | 38 | 31 Ų | 31 | 27% | 0.266 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 117.5 | -176.8 | 58.8 | 0 | 0 | 0 | 0 | 111.7 | H78 Q84 | H78-S80 WeakPolarHBondContact CE1-CB 2.77Å; H78-S80 PolarHBondContact CE1-OG 3.49Å; S80-Q84 CarbonylContact C-O 3.55Å; S80-Q84 WeakPolarHBondContact CA-O 3.31Å |
| 81 | T | 80 | Confident | 87.3 | Confident | 51 Ų | 51 | 31.1 Ų | 31.1 | 31% | 0.313 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 101.8 | 178 | -62.4 | 0 | 0 | 0 | 0 | 109.4 | Y79 N83 Q84 | Y79-T81 WeakPolarHBondContact CE1-OG1 3.38Å; T81-N83 PolarHBondContact O-N 3.21Å; T81-N83 VanDerWaalsContact O-N 3.12Å; T81-Q84 PolarHBondContact N-O 3.17Å; T81-Q84 PolarHBondContact O-N 3.13Å |
| 82 | G | 77.6 | Confident | 87.7 | Confident | 77 Ų | 77 | 29.8 Ų | 29.8 | 79% | 0.794 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | -114.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 83 | N | 80.2 | Confident | 87.9 | Confident | 172 Ų | 172 | 29.4 Ų | 29.4 | 92% | 0.92 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -1.9 | 179.4 | -66.7 | 7.8 | 0 | 0 | 0 | 113.7 | T81 | T81-N83 PolarHBondContact O-N 3.21Å; T81-N83 VanDerWaalsContact O-N 3.12Å |
| 84 | Q | 83.9 | Confident | 87.9 | Confident | 107 Ų | 107 | 28.8 Ų | 28.8 | 50% | 0.5 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 139 | -179 | -73.3 | 175.5 | -40.1 | 0 | 0 | 111.3 | S80 T81 Y86 | S80-Q84 CarbonylContact C-O 3.55Å; S80-Q84 WeakPolarHBondContact CA-O 3.31Å; T81-Q84 PolarHBondContact N-O 3.17Å; T81-Q84 PolarHBondContact O-N 3.13Å; Q84-Y86 HydrophobicContact CB-CD2 4.43Å; Q84-Y86 HydrophobicContact CB-CE2 3.65Å; Q84-Y86 PolarHBondContact OE1-OH 2.96Å; Q84-Y86 VanDerWaalsContact OE1-OH 3.13Å |
| 85 | E | 89.1 | Confident | 87.6 | Confident | 61 Ų | 61 | 28.8 Ų | 28.8 | 29% | 0.285 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.1 | 179.7 | -58.2 | -163.8 | 142.5 | 0 | 0 | 110 | K8 L12 N18 H78 | K8-E85 WeakPolarHBondContact CE-OE2 3.48Å; K8-E85 IonicContact NZ-OE1 2.72Å; K8-E85 PolarHBondContact NZ-OE1 3.22Å; K8-E85 IonicContact NZ-OE2 3.19Å; K8-E85 PolarHBondContact NZ-OE2 3.06Å; L12-E85 HydrophobicContact CD1-CB 4.4Å; L12-E85 HydrophobicContact CD2-CB 3.84Å; N18-E85 WeakPolarHBondContact CB-O 3.3Å; N18-E85 PolarHBondContact ND2-O 3.21Å; H78-E85 IonicContact CE1-OE1 3.93Å; H78-E85 VanDerWaalsContact NE2-CB 3.28Å; H78-E85 WeakPolarHBondContact NE2-CB 3.24Å; H78-E85 WeakPolarHBondContact NE2-CG 3.39Å; H78-E85 IonicContact NE2-OE1 3.59Å; H78-E85 PolarHBondContact NE2-OE1 2.97Å; H78-E85 IonicContact NE2-OE2 2.72Å; H78-E85 PolarHBondContact NE2-OE2 2.81Å |
| 86 | Y | 90.1 | Very high | 87.3 | Confident | 24 Ų | 24 | 30.7 Ų | 30.7 | 9% | 0.094 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 145.9 | -172.3 | -67.7 | -90.8 | 0 | 0 | 0 | 111.1 | N18 H78 Y79 Q84 C361 | N18-Y86 WeakPolarHBondContact O-CA 3.48Å; H78-Y86 WeakPolarHBondContact CA-O 3.14Å; Y79-Y86 PolarHBondContact N-O 2.68Å; Y79-Y86 PolarHBondContact O-N 2.85Å; Q84-Y86 HydrophobicContact CB-CD2 4.43Å; Q84-Y86 HydrophobicContact CB-CE2 3.65Å; Q84-Y86 PolarHBondContact OE1-OH 2.96Å; Q84-Y86 VanDerWaalsContact OE1-OH 3.13Å; Y86-C361 HydrophobicContact CD1-CB 4.37Å; Y86-C361 HydrophobicContact CD2-CB 4.29Å; Y86-C361 HydrophobicContact CE1-CB 4.26Å; Y86-C361 HydrophobicContact CE2-CB 4.17Å; Y86-C361 HydrophobicContact CG-CB 4.39Å |
| 87 | L | 90.9 | Very high | 86.9 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 117 | 170.7 | -173 | 65.7 | 0 | 0 | 0 | 108.9 | I9 L12 Q13 N18 I19 R20 | I9-L87 HydrophobicContact CG2-CD1 4.2Å; I9-L87 HydrophobicContact CG2-CD2 4.28Å; L12-L87 HydrophobicContact CB-CB 4.36Å; Q13-L87 HydrophobicContact CB-CD2 4.43Å; Q13-L87 HydrophobicContact CG-CD2 3.4Å; Q13-L87 VanDerWaalsContact CG-CD2 3.4Å; N18-L87 PolarHBondContact O-N 3.06Å; I19-L87 CarbonylContact C-O 3.5Å; I19-L87 VanDerWaalsContact CA-O 3.27Å; I19-L87 WeakPolarHBondContact CA-O 3.25Å; R20-L87 PolarHBondContact N-O 3.17Å |
| 88 | L | 91.7 | Very high | 86.7 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 100.6 | -168.5 | -54 | 176.3 | 0 | 0 | 0 | 108 | R20 L22 L77 Y79 L90 L357 V360 | R20-L88 HydrophobicContact CB-CD2 3.64Å; R20-L88 HydrophobicContact CG-CD2 3.75Å; R20-L88 CarbonylContact O-C 3.54Å; R20-L88 WeakPolarHBondContact O-CA 3.47Å; L22-L88 HydrophobicContact CD2-CB 4.11Å; L77-L88 HydrophobicContact CB-CB 4.26Å; L77-L88 WeakPolarHBondContact CB-O 3.41Å; L77-L88 PolarHBondContact N-O 3.36Å; L77-L88 WeakPolarHBondContact O-CB 3.39Å; L77-L88 PolarHBondContact O-N 2.95Å; Y79-L88 HydrophobicContact CG-CD1 4.45Å; L88-L90 PolarHBondContact O-N 3.32Å; L88-L357 HydrophobicContact CD1-CB 4.36Å; L88-L357 HydrophobicContact CD1-CD2 3.67Å; L88-L357 HydrophobicContact CD1-CG 4.49Å; L88-V360 HydrophobicContact CD1-CG1 4.25Å; L88-V360 HydrophobicContact CD2-CG1 3.9Å |
| 89 | N | 92.2 | Very high | 86.6 | Confident | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.032 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 98.1 | 179.3 | -64.3 | -33.6 | 0 | 0 | 0 | 108.3 | R20 N21 L22 S76 | R20-N89 PolarHBondContact O-N 2.78Å; N21-N89 WeakPolarHBondContact OD1-CB 3.43Å; N21-N89 PolarHBondContact OD1-ND2 2.81Å; L22-N89 PolarHBondContact N-O 3.13Å; S76-N89 PolarHBondContact OG-OD1 3.01Å |
| 90 | L | 92.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 122.2 | 179.2 | 161.8 | 59.7 | 0 | 0 | 0 | 109.8 | L22 I24 L39 L57 A74 I75 L77 L88 | L22-L90 HydrophobicContact CD1-CB 4.1Å; L22-L90 HydrophobicContact CD1-CD1 3.62Å; L22-L90 HydrophobicContact CD1-CG 4.44Å; L22-L90 WeakPolarHBondContact O-CA 3.38Å; I24-L90 HydrophobicContact CD1-CD1 3.44Å; I24-L90 VanDerWaalsContact CD1-CD1 3.44Å; I24-L90 HydrophobicContact CD1-CD2 4.24Å; I24-L90 HydrophobicContact CD1-CG 4.49Å; I24-L90 HydrophobicContact CG1-CD1 3.48Å; I24-L90 VanDerWaalsContact CG1-CD1 3.48Å; L39-L90 HydrophobicContact CD1-CD2 4.15Å; L57-L90 HydrophobicContact CD1-CD2 4.48Å; A74-L90 CarbonylContact C-O 3.54Å; A74-L90 WeakPolarHBondContact CA-O 3.43Å; I75-L90 HydrophobicContact CG2-CB 3.92Å; I75-L90 HydrophobicContact CG2-CD2 3.79Å; I75-L90 HydrophobicContact CG2-CG 3.88Å; I75-L90 PolarHBondContact N-O 2.68Å; I75-L90 PolarHBondContact O-N 2.94Å; L77-L90 HydrophobicContact CD1-CB 4.06Å; L77-L90 HydrophobicContact CD1-CD2 3.75Å; L77-L90 HydrophobicContact CG-CB 4.43Å; L88-L90 PolarHBondContact O-N 3.32Å |
| 91 | I | 92.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 119.6 | 168.1 | -52.5 | 175 | 0 | 0 | 0 | 108.8 | L22 C23 I24 S73 A74 A106 L109 F494 | L22-I91 PolarHBondContact O-N 3.48Å; C23-I91 CarbonylContact C-O 3.52Å; C23-I91 WeakPolarHBondContact CA-O 3.45Å; I24-I91 PolarHBondContact N-O 3.11Å; S73-I91 WeakPolarHBondContact O-CA 3.49Å; A74-I91 HydrophobicContact CB-CG1 4.25Å; I91-A106 HydrophobicContact CG2-CB 3.73Å; I91-L109 HydrophobicContact CD1-CB 4.13Å; I91-F494 HydrophobicContact CD1-CE1 4.23Å; I91-F494 HydrophobicContact CD1-CZ 3.63Å; I91-F494 HydrophobicContact CG1-CZ 4.03Å; I91-F494 HydrophobicContact CG2-CE1 4.45Å; I91-F494 HydrophobicContact CG2-CZ 4.2Å |
| 92 | D | 92.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 117.6 | 175.7 | -161.6 | 65.4 | 0 | 0 | 0 | 108.9 | K32 L57 S72 S73 | K32-D92 WeakPolarHBondContact CE-OD1 3.15Å; K32-D92 WeakPolarHBondContact CE-OD2 3.35Å; K32-D92 IonicContact NZ-OD1 3.95Å; K32-D92 IonicContact NZ-OD2 3.17Å; K32-D92 PolarHBondContact NZ-OD2 3.08Å; L57-D92 HydrophobicContact CB-CB 4.44Å; L57-D92 HydrophobicContact CD1-CB 3.92Å; S72-D92 WeakPolarHBondContact CA-O 3.31Å; S72-D92 VanDerWaalsContact CB-O 3.28Å; S72-D92 WeakPolarHBondContact CB-O 3.34Å; S73-D92 PolarHBondContact N-O 3.23Å; S73-D92 PolarHBondContact O-N 3.41Å |
| 93 | S | 89.9 | Confident | 87.3 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -92.6 | 150.3 | -178.9 | 84.9 | 0 | 0 | 0 | 0 | 111.7 | I24 K32 | I24-S93 PolarHBondContact O-OG 3.48Å; I24-S93 VanDerWaalsContact O-OG 3.12Å; K32-S93 VanDerWaalsContact CD-O 3.28Å; K32-S93 WeakPolarHBondContact CD-O 3.41Å; K32-S93 WeakPolarHBondContact CE-O 3.44Å; K32-S93 PolarHBondContact NZ-O 3.36Å |
| 94 | P | 87.7 | Confident | 87.6 | Confident | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 151.2 | 168.3 | 27.1 | -33.5 | 0 | 0 | 0 | 110.5 | T69 F99 E102 V103 | T69-P94 VanDerWaalsContact O-CB 3.27Å; T69-P94 WeakPolarHBondContact O-CB 3.47Å; P94-F99 HydrophobicContact CB-CB 3.75Å; P94-F99 HydrophobicContact CB-CD2 4.36Å; P94-F99 HydrophobicContact CB-CG 4.4Å; P94-F99 HydrophobicContact CG-CB 3.61Å; P94-E102 HydrophobicContact CG-CB 3.7Å; P94-V103 HydrophobicContact CG-CG2 4.1Å; P94-V103 WeakPolarHBondContact O-CG2 3.48Å |
| 95 | G | 80.8 | Confident | 87.8 | Confident | 14 Ų | 14 | 10.9 Ų | 10.9 | 14% | 0.144 | 6% | 0.059 | C | C | . | . | trans | -105 | 8.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V28 Q126 | V28-G95 WeakPolarHBondContact CG2-O 3.47Å; V28-G95 PolarHBondContact N-O 3.44Å; V28-G95 VanDerWaalsContact N-O 3.16Å; G95-Q126 PolarHBondContact O-OE1 3.28Å | ||
| 96 | H | 83.8 | Confident | 87.8 | Confident | 42 Ų | 42 | 8 Ų | 8 | 19% | 0.194 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -113.3 | 143.2 | -170.8 | -166.3 | -83.2 | 0 | 0 | 0 | 111.6 | V28 D98 F99 | V28-H96 HydrophobicContact CG2-CB 4.26Å; H96-D98 IonicContact CE1-OD1 3.26Å; H96-D98 PolarHBondContact CE1-OD1 3.29Å; H96-D98 IonicContact ND1-OD1 3.05Å; H96-D98 PolarHBondContact ND1-OD1 2.67Å; H96-D98 VanDerWaalsContact ND1-OD1 3.12Å; H96-D98 PolarHBondContact O-N 3.48Å; H96-F99 HydrophobicContact CB-CD2 4.06Å; H96-F99 PolarHBondContact O-N 2.89Å |
| 97 | V | 80.1 | Confident | 87.9 | Confident | 25 Ų | 25 | 6.9 Ų | 6.9 | 15% | 0.152 | 4% | 0.041 | C | C | . | . | G | 310 helix | trans | -55.1 | -46.5 | -172.5 | -167.7 | 0 | 0 | 0 | 0 | 112.8 | F99 S100 Q126 Q1036 V1038 | V97-F99 PolarHBondContact O-N 2.76Å; V97-S100 WeakPolarHBondContact O-CB 3.45Å; V97-S100 PolarHBondContact O-N 3.39Å; V97-S100 PolarHBondContact O-OG 3.45Å; V97-Q126 HydrophobicContact CG2-CG 3.97Å; V97-Q1036 HydrophobicContact CG2-CB 4.48Å; V97-V1038 HydrophobicContact CG1-CG2 4.28Å |
| 98 | D | 84.2 | Confident | 87.7 | Confident | 23 Ų | 23 | 7 Ų | 7 | 12% | 0.123 | 4% | 0.041 | C | C | . | . | G | 310 helix | trans | -54.8 | -23.3 | 178.7 | -57.2 | 39.4 | 0 | 0 | 0 | 114.3 | H96 G648 E649 V650 H651 | H96-D98 IonicContact CE1-OD1 3.26Å; H96-D98 PolarHBondContact CE1-OD1 3.29Å; H96-D98 IonicContact ND1-OD1 3.05Å; H96-D98 PolarHBondContact ND1-OD1 2.67Å; H96-D98 VanDerWaalsContact ND1-OD1 3.12Å; H96-D98 PolarHBondContact O-N 3.48Å; D98-G648 VanDerWaalsContact OD2-C 3.28Å; D98-G648 VanDerWaalsContact OD2-CA 3.3Å; D98-G648 WeakPolarHBondContact OD2-CA 3.15Å; D98-E649 PolarHBondContact OD2-N 3.45Å; D98-V650 WeakPolarHBondContact OD2-CB 3.47Å; D98-V650 PolarHBondContact OD2-N 3.48Å; D98-V650 VanDerWaalsContact OD2-N 3.08Å; D98-H651 HydrophobicContact CB-CB 3.73Å; D98-H651 PolarHBondContact O-ND1 3.38Å; D98-H651 PolarHBondContact OD2-N 3Å |
| 99 | F | 85.7 | Confident | 87.6 | Confident | 2 Ų | 2 | 7 Ų | 7 | 1% | 0.009 | 4% | 0.041 | C | C | . | . | G | 310 helix | trans | -108.9 | 15.9 | 179.5 | -52.8 | -56.7 | 0 | 0 | 0 | 112.9 | M70 P94 H96 V97 S101 E102 V103 V650 H651 | M70-F99 HydrophobicContact CB-CD2 4.24Å; M70-F99 HydrophobicContact CB-CE2 3.83Å; M70-F99 HydrophobicContact CB-CZ 4.02Å; M70-F99 HydrophobicContact CG-CD2 4.26Å; M70-F99 HydrophobicContact CG-CE2 3.53Å; M70-F99 HydrophobicContact CG-CZ 3.93Å; M70-F99 HydrophobicContact SD-CE2 3.88Å; M70-F99 HydrophobicContact SD-CZ 3.79Å; P94-F99 HydrophobicContact CB-CB 3.75Å; P94-F99 HydrophobicContact CB-CD2 4.36Å; P94-F99 HydrophobicContact CB-CG 4.4Å; P94-F99 HydrophobicContact CG-CB 3.61Å; H96-F99 HydrophobicContact CB-CD2 4.06Å; H96-F99 PolarHBondContact O-N 2.89Å; V97-F99 PolarHBondContact O-N 2.76Å; F99-S101 PolarHBondContact O-N 2.93Å; F99-S101 VanDerWaalsContact O-N 3.12Å; F99-E102 WeakPolarHBondContact O-CB 3.28Å; F99-E102 PolarHBondContact O-N 2.65Å; F99-V103 PolarHBondContact O-N 3.26Å; F99-V650 HydrophobicContact CE2-CG1 4.33Å; F99-V650 HydrophobicContact CZ-CG1 4.3Å; F99-H651 HydrophobicContact CD1-CB 4.22Å; F99-H651 HydrophobicContact CE1-CB 3.65Å; F99-H651 AromaticContact CE1-CG 3.97Å; F99-H651 HydrophobicContact CZ-CB 4.27Å |
| 100 | S | 84.1 | Confident | 87.5 | Confident | 12 Ų | 12 | 6.7 Ų | 6.7 | 8% | 0.084 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -53.4 | -29.9 | 177 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | V97 V103 S104 A599 | V97-S100 WeakPolarHBondContact O-CB 3.45Å; V97-S100 PolarHBondContact O-N 3.39Å; V97-S100 PolarHBondContact O-OG 3.45Å; S100-V103 WeakPolarHBondContact O-CA 3.42Å; S100-V103 VanDerWaalsContact O-CB 3.27Å; S100-V103 WeakPolarHBondContact O-CB 3.48Å; S100-V103 PolarHBondContact O-N 3.39Å; S100-V103 VanDerWaalsContact O-N 3.1Å; S100-S104 PolarHBondContact O-N 3.14Å; S100-S104 PolarHBondContact O-OG 3.05Å; S100-S104 VanDerWaalsContact O-OG 3.11Å; S100-A599 VanDerWaalsContact OG-CB 3.3Å; S100-A599 WeakPolarHBondContact OG-CB 3.38Å |
| 101 | S | 84.9 | Confident | 87.4 | Confident | 2 Ų | 2 | 7.1 Ų | 7.1 | 1% | 0.014 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -65.5 | -35.2 | 173.1 | 53 | 0 | 0 | 0 | 0 | 113.8 | F99 V103 S104 T105 C631 | F99-S101 PolarHBondContact O-N 2.93Å; F99-S101 VanDerWaalsContact O-N 3.12Å; S101-V103 PolarHBondContact O-N 2.87Å; S101-S104 PolarHBondContact O-N 2.84Å; S101-T105 VanDerWaalsContact O-CB 3.25Å; S101-T105 WeakPolarHBondContact O-CB 3.48Å; S101-T105 PolarHBondContact O-N 2.87Å; S101-T105 PolarHBondContact O-OG1 3.43Å; S101-C631 WeakPolarHBondContact CB-SG 3.34Å; S101-C631 WeakPolarHBondContact OG-CB 3.45Å; S101-C631 PolarHBondContact OG-SG 3.29Å |
| 102 | E | 87.2 | Confident | 87.4 | Confident | 2 Ų | 2 | 7.1 Ų | 7.1 | 1% | 0.009 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -70.7 | -22 | 171.5 | -75.7 | -155.3 | -119.5 | 0 | 0 | 112.4 | K71 S72 P94 F99 A106 K417 P630 R654 | K71-E102 WeakPolarHBondContact CA-OE2 3.19Å; S72-E102 PolarHBondContact N-OE2 3.26Å; S72-E102 PolarHBondContact OG-O 3.12Å; S72-E102 PolarHBondContact OG-OE2 3.48Å; P94-E102 HydrophobicContact CG-CB 3.7Å; F99-E102 WeakPolarHBondContact O-CB 3.28Å; F99-E102 PolarHBondContact O-N 2.65Å; E102-A106 WeakPolarHBondContact O-CB 3.35Å; E102-A106 PolarHBondContact O-N 2.94Å; E102-K417 IonicContact OE2-NZ 3.21Å; E102-K417 PolarHBondContact OE2-NZ 3.38Å; E102-P630 HydrophobicContact CG-CG 4.12Å; E102-R654 IonicContact OE1-CZ 2.81Å; E102-R654 VanDerWaalsContact OE1-CZ 3.27Å; E102-R654 IonicContact OE1-NH1 3.12Å; E102-R654 PolarHBondContact OE1-NH1 2.78Å; E102-R654 IonicContact OE1-NH2 3.03Å; E102-R654 PolarHBondContact OE1-NH2 3.4Å |
| 103 | V | 89.1 | Confident | 87.4 | Confident | 4 Ų | 4 | 7.1 Ų | 7.1 | 2% | 0.024 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -72 | -52.3 | 168.6 | -170.9 | 0 | 0 | 0 | 0 | 110.1 | L25 P94 F99 S100 S101 T105 A106 V107 V130 | L25-V103 HydrophobicContact CD2-CG1 3.68Å; P94-V103 HydrophobicContact CG-CG2 4.1Å; P94-V103 WeakPolarHBondContact O-CG2 3.48Å; F99-V103 PolarHBondContact O-N 3.26Å; S100-V103 WeakPolarHBondContact O-CA 3.42Å; S100-V103 VanDerWaalsContact O-CB 3.27Å; S100-V103 WeakPolarHBondContact O-CB 3.48Å; S100-V103 PolarHBondContact O-N 3.39Å; S100-V103 VanDerWaalsContact O-N 3.1Å; S101-V103 PolarHBondContact O-N 2.87Å; V103-T105 VanDerWaalsContact C-N 3.27Å; V103-T105 PolarHBondContact O-N 3.16Å; V103-A106 PolarHBondContact O-N 3.1Å; V103-V107 HydrophobicContact CG1-CG2 4.03Å; V103-V107 VanDerWaalsContact O-CG2 3.31Å; V103-V107 WeakPolarHBondContact O-CG2 3.45Å; V103-V107 PolarHBondContact O-N 3.29Å; V103-V130 HydrophobicContact CG1-CG1 4.33Å |
| 104 | S | 87.9 | Confident | 87.6 | Confident | 6 Ų | 6 | 7.2 Ų | 7.2 | 4% | 0.042 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -57.5 | -41.2 | 176.8 | -43.2 | 0 | 0 | 0 | 0 | 112 | S100 S101 A106 R108 Q133 | S100-S104 PolarHBondContact O-N 3.14Å; S100-S104 PolarHBondContact O-OG 3.05Å; S100-S104 VanDerWaalsContact O-OG 3.11Å; S101-S104 PolarHBondContact O-N 2.84Å; S104-A106 VanDerWaalsContact C-N 3.3Å; S104-A106 PolarHBondContact O-N 3.04Å; S104-R108 WeakPolarHBondContact O-CB 3.49Å; S104-R108 PolarHBondContact O-N 3.39Å; S104-Q133 PolarHBondContact OG-OE1 2.8Å |
| 105 | T | 87.5 | Confident | 87.9 | Confident | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -58.9 | -37.3 | 174.7 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | S101 V103 S416 K417 | S101-T105 VanDerWaalsContact O-CB 3.25Å; S101-T105 WeakPolarHBondContact O-CB 3.48Å; S101-T105 PolarHBondContact O-N 2.87Å; S101-T105 PolarHBondContact O-OG1 3.43Å; V103-T105 VanDerWaalsContact C-N 3.27Å; V103-T105 PolarHBondContact O-N 3.16Å; T105-S416 VanDerWaalsContact CG2-OG 3.29Å; T105-S416 WeakPolarHBondContact CG2-OG 2.84Å; T105-S416 PolarHBondContact O-OG 3.29Å; T105-K417 HydrophobicContact CG2-CB 4.04Å; T105-K417 HydrophobicContact CG2-CD 4.17Å; T105-K417 HydrophobicContact CG2-CG 4.01Å |
| 106 | A | 89.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -80.2 | -47.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I91 E102 V103 S104 R108 L109 C110 | I91-A106 HydrophobicContact CG2-CB 3.73Å; E102-A106 WeakPolarHBondContact O-CB 3.35Å; E102-A106 PolarHBondContact O-N 2.94Å; V103-A106 PolarHBondContact O-N 3.1Å; S104-A106 VanDerWaalsContact C-N 3.3Å; S104-A106 PolarHBondContact O-N 3.04Å; A106-R108 VanDerWaalsContact C-N 3.27Å; A106-R108 PolarHBondContact O-N 2.95Å; A106-L109 PolarHBondContact O-N 2.8Å; A106-L109 VanDerWaalsContact O-N 3.11Å; A106-C110 PolarHBondContact O-N 3.19Å; A106-C110 PolarHBondContact O-SG 3.21Å |
| 107 | V | 90.8 | Very high | 89 | Confident | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -54.7 | -43.6 | -179.4 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | L25 V103 L109 C110 E137 V139 | L25-V107 HydrophobicContact CD1-CG2 3.98Å; L25-V107 HydrophobicContact CD2-CG2 3.76Å; L25-V107 HydrophobicContact CG-CG2 4.49Å; V103-V107 HydrophobicContact CG1-CG2 4.03Å; V103-V107 VanDerWaalsContact O-CG2 3.31Å; V103-V107 WeakPolarHBondContact O-CG2 3.45Å; V103-V107 PolarHBondContact O-N 3.29Å; V107-L109 VanDerWaalsContact C-N 3.3Å; V107-L109 PolarHBondContact O-N 3.24Å; V107-C110 WeakPolarHBondContact O-CB 3.43Å; V107-C110 PolarHBondContact O-N 3.1Å; V107-E137 HydrophobicContact CG1-CB 3.85Å; V107-E137 HydrophobicContact CG1-CG 4.17Å; V107-V139 HydrophobicContact CG1-CB 4.33Å; V107-V139 HydrophobicContact CG1-CG2 3.78Å; V107-V139 WeakPolarHBondContact O-CG2 3.48Å |
| 108 | R | 87.6 | Confident | 89.6 | Confident | 5 Ų | 5 | 3.5 Ų | 3.5 | 2% | 0.019 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -30.2 | -179.7 | -179.9 | 165.3 | 167.5 | 153.3 | -10.8 | 114.6 | S104 A106 C110 E137 L378 F414 Y498 T593 L595 | S104-R108 WeakPolarHBondContact O-CB 3.49Å; S104-R108 PolarHBondContact O-N 3.39Å; A106-R108 VanDerWaalsContact C-N 3.27Å; A106-R108 PolarHBondContact O-N 2.95Å; R108-C110 VanDerWaalsContact C-N 3.28Å; R108-E137 HydrophobicContact CB-CG 4.47Å; R108-L378 HydrophobicContact CG-CD2 4.2Å; R108-L378 VanDerWaalsContact CZ-CD2 3.42Å; R108-L378 VanDerWaalsContact NE-CD2 3.3Å; R108-F414 HydrophobicContact CG-CE1 4.27Å; R108-Y498 PolarHBondContact O-OH 3.36Å; R108-T593 PolarHBondContact NH1-O 3.33Å; R108-T593 PolarHBondContact NH2-O 3.05Å; R108-L595 HydrophobicContact CB-CD2 4.18Å |
| 109 | L | 89.6 | Confident | 89.9 | Confident | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 1% | 0.014 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -16.1 | 174.4 | -66.9 | 172.4 | 0 | 0 | 0 | 112.4 | I91 A106 V107 F414 F494 R496 | I91-L109 HydrophobicContact CD1-CB 4.13Å; A106-L109 PolarHBondContact O-N 2.8Å; A106-L109 VanDerWaalsContact O-N 3.11Å; V107-L109 VanDerWaalsContact C-N 3.3Å; V107-L109 PolarHBondContact O-N 3.24Å; L109-F414 HydrophobicContact CD2-CD1 4.09Å; L109-F494 HydrophobicContact CD1-CD1 3.59Å; L109-F494 HydrophobicContact CD1-CE1 3.39Å; L109-F494 HydrophobicContact CD1-CG 4.29Å; L109-F494 HydrophobicContact CD1-CZ 3.92Å; L109-R496 HydrophobicContact CD2-CB 3.56Å; L109-R496 VanDerWaalsContact O-CD 3.23Å; L109-R496 WeakPolarHBondContact O-CD 3.18Å; L109-R496 PolarHBondContact O-NH1 3.35Å |
| 110 | C | 90.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.019 | C | C | . | . | trans | -93 | 159.5 | -176.9 | -67.4 | 0 | 0 | 0 | 0 | 114.1 | C23 A106 V107 R108 G112 K374 | C23-C110 HydrophobicContact CB-CB 4.45Å; C23-C110 PolarHBondContact N-SG 3.14Å; A106-C110 PolarHBondContact O-N 3.19Å; A106-C110 PolarHBondContact O-SG 3.21Å; V107-C110 WeakPolarHBondContact O-CB 3.43Å; V107-C110 PolarHBondContact O-N 3.1Å; R108-C110 VanDerWaalsContact C-N 3.28Å; C110-G112 WeakPolarHBondContact CB-O 3.29Å; C110-K374 PolarHBondContact O-NZ 3.43Å | ||
| 111 | D | 89.8 | Confident | 89.8 | Confident | 10 Ų | 10 | 5.1 Ų | 5.1 | 5% | 0.053 | 3% | 0.027 | C | C | . | . | S | Bend | trans | -102.2 | -27 | 171.4 | -54 | -57.3 | 0 | 0 | 0 | 111 | N21 R140 P365 R496 | N21-D111 WeakPolarHBondContact CB-OD2 3.41Å; N21-D111 PolarHBondContact ND2-OD2 3.45Å; N21-D111 PolarHBondContact O-N 3.25Å; D111-R140 PolarHBondContact O-N 3.28Å; D111-P365 HydrophobicContact CB-CG 4.39Å; D111-R496 VanDerWaalsContact CG-NH1 3.26Å; D111-R496 VanDerWaalsContact CG-NH2 3.34Å; D111-R496 IonicContact OD1-CZ 3.04Å; D111-R496 IonicContact OD1-NH1 2.68Å; D111-R496 PolarHBondContact OD1-NH1 2.98Å; D111-R496 IonicContact OD1-NH2 2.7Å; D111-R496 PolarHBondContact OD1-NH2 3.33Å; D111-R496 IonicContact OD2-CZ 2.68Å; D111-R496 IonicContact OD2-NH1 3.31Å; D111-R496 PolarHBondContact OD2-NH1 3.48Å; D111-R496 IonicContact OD2-NH2 3.79Å; D111-R496 PolarHBondContact OD2-NH2 3.05Å; D111-R496 VanDerWaalsContact OD2-NH2 3.11Å |
| 112 | G | 91.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 169.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | N21 L22 C23 C110 V139 R140 | N21-G112 PolarHBondContact O-N 3.41Å; L22-G112 WeakPolarHBondContact CA-O 3.44Å; C23-G112 PolarHBondContact N-O 3.35Å; C23-G112 VanDerWaalsContact N-O 3.17Å; C110-G112 WeakPolarHBondContact CB-O 3.29Å; G112-V139 VanDerWaalsContact CA-CG1 3.49Å; G112-R140 CarbonylContact C-O 3.58Å; G112-R140 VanDerWaalsContact CA-O 3.27Å; G112-R140 WeakPolarHBondContact CA-O 3.29Å |
| 113 | A | 92.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 140.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | C23 L25 V139 R140 P141 V142 | C23-A113 CarbonylContact O-C 3.56Å; C23-A113 WeakPolarHBondContact O-CA 3.45Å; L25-A113 HydrophobicContact CD1-CB 3.5Å; L25-A113 HydrophobicContact CG-CB 4.08Å; A113-V139 HydrophobicContact CB-CG1 3.82Å; A113-R140 PolarHBondContact N-O 2.84Å; A113-P141 CarbonylContact O-C 3.57Å; A113-P141 WeakPolarHBondContact O-CA 3.21Å; A113-V142 PolarHBondContact O-N 3.29Å |
| 114 | I | 94.6 | Very high | 89.3 | Confident | 3 Ų | 3 | 5.4 Ų | 5.4 | 2% | 0.015 | 3% | 0.029 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 106.6 | 169.7 | -58.9 | 177.8 | 0 | 0 | 0 | 107.7 | L22 C23 I24 L25 V116 V142 V144 V356 V360 | L22-I114 HydrophobicContact CD1-CD1 3.83Å; L22-I114 HydrophobicContact CD1-CG1 4.4Å; C23-I114 PolarHBondContact O-N 2.9Å; I24-I114 HydrophobicContact CG1-CB 4.33Å; I24-I114 HydrophobicContact CG1-CD1 4.34Å; L25-I114 PolarHBondContact N-O 2.95Å; I114-V116 HydrophobicContact CG2-CG2 4.21Å; I114-V142 CarbonylContact C-O 3.56Å; I114-V142 WeakPolarHBondContact CA-O 3.27Å; I114-V144 HydrophobicContact CG2-CB 4.37Å; I114-V144 HydrophobicContact CG2-CG2 3.68Å; I114-V356 HydrophobicContact CD1-CG1 3.77Å; I114-V360 HydrophobicContact CD1-CG2 3.91Å; I114-V360 HydrophobicContact CG1-CG2 4.26Å |
| 115 | V | 94.2 | Very high | 88.8 | Confident | 4 Ų | 4 | 6 Ų | 6 | 2% | 0.024 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 118.2 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | L25 V117 T127 L131 P141 V142 L143 V144 | L25-V115 HydrophobicContact CB-CG2 4.49Å; L25-V115 CarbonylContact O-C 3.52Å; L25-V115 WeakPolarHBondContact O-CA 3.29Å; V115-V117 HydrophobicContact CG1-CG2 4.32Å; V115-T127 HydrophobicContact CG1-CG2 4.12Å; V115-L131 HydrophobicContact CG1-CD2 4.29Å; V115-L131 HydrophobicContact CG1-CG 4.4Å; V115-L131 HydrophobicContact CG2-CD2 3.93Å; V115-P141 HydrophobicContact CG2-CB 4.03Å; V115-V142 PolarHBondContact N-O 2.9Å; V115-L143 HydrophobicContact CG1-CD1 4.49Å; V115-V144 PolarHBondContact O-N 3.02Å |
| 116 | V | 94.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 121.8 | -177.4 | -169.3 | 0 | 0 | 0 | 0 | 110.7 | I24 L25 A26 H30 I114 V144 N146 | I24-V116 HydrophobicContact CG2-CG2 3.61Å; L25-V116 PolarHBondContact O-N 3.46Å; A26-V116 HydrophobicContact CB-CB 3.96Å; H30-V116 HydrophobicContact CB-CG1 4.47Å; H30-V116 PolarHBondContact ND1-O 2.89Å; H30-V116 WeakPolarHBondContact O-CG1 3.39Å; I114-V116 HydrophobicContact CG2-CG2 4.21Å; V116-V144 WeakPolarHBondContact CA-O 3.36Å; V116-N146 HydrophobicContact CG1-CB 3.73Å |
| 117 | V | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.9 | -178.6 | 180 | 0 | 0 | 0 | 0 | 109.1 | V115 G122 T127 L143 V144 I145 N146 I169 | V115-V117 HydrophobicContact CG1-CG2 4.32Å; V117-G122 WeakPolarHBondContact CG1-O 2.96Å; V117-T127 HydrophobicContact CG2-CG2 3.89Å; V117-L143 HydrophobicContact CB-CD1 4.16Å; V117-L143 HydrophobicContact CG2-CD1 3.55Å; V117-V144 PolarHBondContact N-O 3.48Å; V117-I145 CarbonylContact O-C 3.59Å; V117-I145 WeakPolarHBondContact O-CA 3.33Å; V117-N146 PolarHBondContact O-N 2.91Å; V117-I169 HydrophobicContact CG1-CG2 3.95Å |
| 118 | D | 92 | Very high | 88.1 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 133 | 174.7 | -175.2 | -25.2 | 0 | 0 | 0 | 110.6 | V120 E121 G122 K147 R150 | D118-V120 PolarHBondContact O-N 3.43Å; D118-V120 PolarHBondContact OD1-N 2.94Å; D118-E121 HydrophobicContact CB-CB 4Å; D118-E121 VanDerWaalsContact OD2-CD 3.25Å; D118-G122 WeakPolarHBondContact O-CA 3.41Å; D118-G122 PolarHBondContact O-N 2.84Å; D118-K147 WeakPolarHBondContact OD2-CD 3.41Å; D118-K147 WeakPolarHBondContact OD2-CE 3.45Å; D118-K147 IonicContact OD2-NZ 2.72Å; D118-K147 PolarHBondContact OD2-NZ 3.1Å; D118-R150 IonicContact OD1-NH1 3.75Å; D118-R150 IonicContact OD2-CZ 2.85Å; D118-R150 IonicContact OD2-NH1 2.67Å; D118-R150 PolarHBondContact OD2-NH1 2.83Å |
| 119 | A | 90.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | I145 N146 M148 L151 H165 I169 | A119-I145 HydrophobicContact CB-CG2 3.82Å; A119-N146 VanDerWaalsContact CB-O 3.25Å; A119-N146 WeakPolarHBondContact CB-O 3.46Å; A119-N146 PolarHBondContact N-O 3.42Å; A119-M148 HydrophobicContact CB-CG 4.17Å; A119-L151 HydrophobicContact CB-CD1 3.99Å; A119-L151 HydrophobicContact CB-CG 4.07Å; A119-L151 WeakPolarHBondContact O-CD2 2.94Å; A119-H165 PolarHBondContact O-CE1 3.37Å; A119-H165 PolarHBondContact O-ND1 3.49Å; A119-H165 VanDerWaalsContact O-ND1 3.09Å; A119-I169 VanDerWaalsContact O-CD1 3.29Å; A119-I169 WeakPolarHBondContact O-CD1 3.47Å |
| 120 | V | 86.4 | Confident | 87.8 | Confident | 19 Ų | 19 | 13.7 Ų | 13.7 | 12% | 0.115 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -52.8 | 174.7 | 172 | 0 | 0 | 0 | 0 | 111.6 | D118 G122 R150 L151 L155 T1004 | D118-V120 PolarHBondContact O-N 3.43Å; D118-V120 PolarHBondContact OD1-N 2.94Å; V120-G122 VanDerWaalsContact C-N 3.33Å; V120-G122 PolarHBondContact O-N 2.78Å; V120-R150 HydrophobicContact CG2-CB 3.51Å; V120-L151 HydrophobicContact CG2-CD2 3.93Å; V120-L155 HydrophobicContact CG1-CD1 4.34Å; V120-L155 HydrophobicContact CG2-CD1 4.03Å; V120-L155 HydrophobicContact CG2-CG 4.4Å; V120-T1004 WeakPolarHBondContact O-CG2 3.38Å |
| 121 | E | 82.1 | Confident | 87.7 | Confident | 53 Ų | 53 | 14 Ų | 14 | 25% | 0.248 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -22.7 | -174.1 | -64.7 | 153.7 | -156.3 | 0 | 0 | 112.1 | H30 D118 K147 R150 K1001 | H30-E121 IonicContact CD2-OE2 3.65Å; H30-E121 IonicContact NE2-OE2 3.2Å; D118-E121 HydrophobicContact CB-CB 4Å; D118-E121 VanDerWaalsContact OD2-CD 3.25Å; E121-K147 IonicContact OE1-NZ 3.41Å; E121-K147 PolarHBondContact OE1-NZ 2.94Å; E121-K147 IonicContact OE2-NZ 2.74Å; E121-R150 IonicContact OE1-CZ 3.81Å; E121-R150 IonicContact OE1-NH1 2.78Å; E121-R150 PolarHBondContact OE1-NH1 3.32Å; E121-R150 IonicContact OE1-NH2 2.72Å; E121-K1001 WeakPolarHBondContact O-CE 3.48Å; E121-K1001 PolarHBondContact O-NZ 3.49Å |
| 122 | G | 84.2 | Confident | 87.6 | Confident | 3 Ų | 3 | 19.8 Ų | 19.8 | 3% | 0.031 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | 69.1 | -150.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V117 D118 V120 C124 | V117-G122 WeakPolarHBondContact CG1-O 2.96Å; D118-G122 WeakPolarHBondContact O-CA 3.41Å; D118-G122 PolarHBondContact O-N 2.84Å; V120-G122 VanDerWaalsContact C-N 3.33Å; V120-G122 PolarHBondContact O-N 2.78Å; G122-C124 PolarHBondContact O-N 3.25Å |
| 123 | V | 84.2 | Confident | 87.3 | Confident | 10 Ų | 10 | 20.3 Ų | 20.3 | 6% | 0.061 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -77.4 | 117.4 | -179 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | T127 Q128 Q172 V173 V176 K1001 | V123-T127 HydrophobicContact CG1-CG2 4.22Å; V123-Q128 HydrophobicContact CG1-CG 4.09Å; V123-Q172 HydrophobicContact CB-CB 4.3Å; V123-Q172 HydrophobicContact CG2-CB 3.59Å; V123-V173 HydrophobicContact CG2-CB 4.41Å; V123-V173 HydrophobicContact CG2-CG2 3.44Å; V123-V173 VanDerWaalsContact CG2-CG2 3.44Å; V123-V176 HydrophobicContact CG1-CG2 4.48Å; V123-K1001 WeakPolarHBondContact O-CE 3.07Å; V123-K1001 PolarHBondContact O-NZ 3.01Å |
| 124 | C | 82.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -102.3 | 162.8 | 178.9 | -65.6 | 0 | 0 | 0 | 0 | 111 | H27 G122 Q126 T127 Q128 M975 | H27-C124 HydrophobicContact CB-CB 4.42Å; G122-C124 PolarHBondContact O-N 3.25Å; C124-Q126 VanDerWaalsContact C-N 3.33Å; C124-Q126 PolarHBondContact O-N 3.18Å; C124-T127 PolarHBondContact N-OG1 3.41Å; C124-T127 WeakPolarHBondContact O-CA 3.41Å; C124-T127 WeakPolarHBondContact O-CB 3.38Å; C124-T127 PolarHBondContact O-N 2.96Å; C124-T127 PolarHBondContact O-OG1 3.47Å; C124-Q128 PolarHBondContact O-N 3.17Å; C124-M975 HydrophobicContact CB-CE 4.35Å; C124-M975 HydrophobicContact CB-SD 4.19Å; C124-M975 VanDerWaalsContact SG-SD 3.62Å | ||
| 125 | P | 77.6 | Confident | 86.7 | Confident | 18 Ų | 18 | 22.9 Ų | 22.9 | 12% | 0.117 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.7 | -43.8 | -176.9 | -28.7 | 36.7 | 0 | 0 | 0 | 113.6 | T127 Q128 A129 E973 | P125-T127 VanDerWaalsContact C-N 3.26Å; P125-T127 PolarHBondContact O-N 2.98Å; P125-Q128 WeakPolarHBondContact O-CA 3.47Å; P125-Q128 WeakPolarHBondContact O-CB 3.32Å; P125-Q128 PolarHBondContact O-N 3.19Å; P125-A129 PolarHBondContact O-N 2.95Å; P125-E973 WeakPolarHBondContact CB-OE2 3.45Å; P125-E973 HydrophobicContact CG-CB 4.39Å; P125-E973 WeakPolarHBondContact CG-OE2 3.18Å |
| 126 | Q | 82.3 | Confident | 86.2 | Confident | 20 Ų | 20 | 26.5 Ų | 26.5 | 9% | 0.093 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.4 | -29.9 | 172.8 | -77 | 165.5 | 37.8 | 0 | 0 | 113.5 | H27 G95 V97 C124 Q128 V130 | H27-Q126 HydrophobicContact CB-CB 4.37Å; H27-Q126 PolarHBondContact CE1-NE2 3.23Å; H27-Q126 PolarHBondContact ND1-OE1 3.33Å; G95-Q126 PolarHBondContact O-OE1 3.28Å; V97-Q126 HydrophobicContact CG2-CG 3.97Å; C124-Q126 VanDerWaalsContact C-N 3.33Å; C124-Q126 PolarHBondContact O-N 3.18Å; Q126-Q128 VanDerWaalsContact C-N 3.29Å; Q126-Q128 PolarHBondContact O-N 2.79Å; Q126-V130 VanDerWaalsContact O-CB 3.24Å; Q126-V130 WeakPolarHBondContact O-CB 3.48Å; Q126-V130 WeakPolarHBondContact O-CG2 3.37Å; Q126-V130 PolarHBondContact O-N 3.18Å |
| 127 | T | 86.2 | Confident | 85.7 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.018 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.5 | -38.4 | 171.6 | -46.5 | 0 | 0 | 0 | 0 | 110.7 | V115 V117 V123 C124 P125 L131 | V115-T127 HydrophobicContact CG1-CG2 4.12Å; V117-T127 HydrophobicContact CG2-CG2 3.89Å; V123-T127 HydrophobicContact CG1-CG2 4.22Å; C124-T127 PolarHBondContact N-OG1 3.41Å; C124-T127 WeakPolarHBondContact O-CA 3.41Å; C124-T127 WeakPolarHBondContact O-CB 3.38Å; C124-T127 PolarHBondContact O-N 2.96Å; C124-T127 PolarHBondContact O-OG1 3.47Å; P125-T127 VanDerWaalsContact C-N 3.26Å; P125-T127 PolarHBondContact O-N 2.98Å; T127-L131 HydrophobicContact CG2-CD1 4.2Å; T127-L131 VanDerWaalsContact O-CB 3.3Å; T127-L131 WeakPolarHBondContact O-CB 3.32Å; T127-L131 WeakPolarHBondContact O-CD1 3.38Å; T127-L131 VanDerWaalsContact O-CG 3.23Å; T127-L131 WeakPolarHBondContact O-CG 3.46Å; T127-L131 PolarHBondContact O-N 2.91Å |
| 128 | Q | 84.9 | Confident | 85.4 | Confident | 95 Ų | 95 | 30 Ų | 30 | 44% | 0.444 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -69 | -47.7 | 176.6 | -49.3 | -173 | 7.1 | 0 | 0 | 111.7 | V123 C124 P125 Q126 V130 L131 R132 V176 | V123-Q128 HydrophobicContact CG1-CG 4.09Å; C124-Q128 PolarHBondContact O-N 3.17Å; P125-Q128 WeakPolarHBondContact O-CA 3.47Å; P125-Q128 WeakPolarHBondContact O-CB 3.32Å; P125-Q128 PolarHBondContact O-N 3.19Å; Q126-Q128 VanDerWaalsContact C-N 3.29Å; Q126-Q128 PolarHBondContact O-N 2.79Å; Q128-V130 PolarHBondContact O-N 2.89Å; Q128-L131 PolarHBondContact O-N 3.33Å; Q128-R132 WeakPolarHBondContact O-CB 3.5Å; Q128-R132 PolarHBondContact O-N 3.44Å; Q128-V176 HydrophobicContact CB-CG1 4.07Å; Q128-V176 HydrophobicContact CG-CG1 4.15Å; Q128-V176 HydrophobicContact CG-CG2 3.96Å |
| 129 | A | 83.3 | Confident | 85.2 | Confident | 33 Ų | 33 | 30.3 Ų | 30.3 | 27% | 0.273 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -58.8 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P125 R132 Q133 | P125-A129 PolarHBondContact O-N 2.95Å; A129-R132 CarbonylContact O-C 3.55Å; A129-R132 WeakPolarHBondContact O-CA 3.43Å; A129-R132 WeakPolarHBondContact O-CB 3.45Å; A129-R132 PolarHBondContact O-N 2.92Å; A129-R132 VanDerWaalsContact O-N 3.15Å; A129-Q133 WeakPolarHBondContact O-CG 3.45Å; A129-Q133 PolarHBondContact O-N 3.23Å |
| 130 | V | 87 | Confident | 85 | Confident | 16 Ų | 16 | 34.1 Ų | 34.1 | 10% | 0.097 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -73.7 | -31 | -178.5 | 177.7 | 0 | 0 | 0 | 0 | 112.4 | L25 V103 Q126 Q128 Q133 A134 | L25-V130 HydrophobicContact CB-CG1 3.54Å; L25-V130 HydrophobicContact CD1-CG1 3.6Å; L25-V130 HydrophobicContact CD2-CG1 3.82Å; L25-V130 HydrophobicContact CG-CG1 3.83Å; V103-V130 HydrophobicContact CG1-CG1 4.33Å; Q126-V130 VanDerWaalsContact O-CB 3.24Å; Q126-V130 WeakPolarHBondContact O-CB 3.48Å; Q126-V130 WeakPolarHBondContact O-CG2 3.37Å; Q126-V130 PolarHBondContact O-N 3.18Å; Q128-V130 PolarHBondContact O-N 2.89Å; V130-Q133 PolarHBondContact O-N 3.07Å; V130-A134 PolarHBondContact O-N 3.02Å |
| 131 | L | 88.8 | Confident | 85.3 | Confident | 8 Ų | 8 | 34.6 Ų | 34.6 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 166 | -80.8 | 166 | 0 | 0 | 0 | 111.5 | V115 T127 Q128 A134 W135 P141 V173 V176 F225 | V115-L131 HydrophobicContact CG1-CD2 4.29Å; V115-L131 HydrophobicContact CG1-CG 4.4Å; V115-L131 HydrophobicContact CG2-CD2 3.93Å; T127-L131 HydrophobicContact CG2-CD1 4.2Å; T127-L131 VanDerWaalsContact O-CB 3.3Å; T127-L131 WeakPolarHBondContact O-CB 3.32Å; T127-L131 WeakPolarHBondContact O-CD1 3.38Å; T127-L131 VanDerWaalsContact O-CG 3.23Å; T127-L131 WeakPolarHBondContact O-CG 3.46Å; T127-L131 PolarHBondContact O-N 2.91Å; Q128-L131 PolarHBondContact O-N 3.33Å; L131-A134 PolarHBondContact O-N 2.65Å; L131-W135 WeakPolarHBondContact O-CB 3.41Å; L131-W135 PolarHBondContact O-N 2.76Å; L131-P141 HydrophobicContact CD2-CB 4.45Å; L131-V173 HydrophobicContact CD1-CG1 4.11Å; L131-V176 HydrophobicContact CD1-CG1 4.24Å; L131-F225 HydrophobicContact CD2-CE2 4.36Å; L131-F225 HydrophobicContact CD2-CZ 4.25Å |
| 132 | R | 87.3 | Confident | 85.8 | Confident | 131 Ų | 131 | 32.1 Ų | 32.1 | 49% | 0.494 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.1 | -38.5 | 175.5 | -175.3 | -174.6 | -173.1 | -144.5 | 13.3 | 112.3 | Q128 A129 W135 L136 L180 E598 | Q128-R132 WeakPolarHBondContact O-CB 3.5Å; Q128-R132 PolarHBondContact O-N 3.44Å; A129-R132 CarbonylContact O-C 3.55Å; A129-R132 WeakPolarHBondContact O-CA 3.43Å; A129-R132 WeakPolarHBondContact O-CB 3.45Å; A129-R132 PolarHBondContact O-N 2.92Å; A129-R132 VanDerWaalsContact O-N 3.15Å; R132-W135 WeakPolarHBondContact O-CB 3.48Å; R132-W135 PolarHBondContact O-N 2.79Å; R132-L136 HydrophobicContact CG-CD1 4.06Å; R132-L136 HydrophobicContact CG-CG 4.48Å; R132-L136 WeakPolarHBondContact O-CB 3.34Å; R132-L136 VanDerWaalsContact O-CG 3.22Å; R132-L136 WeakPolarHBondContact O-CG 3.44Å; R132-L136 PolarHBondContact O-N 3.13Å; R132-L180 HydrophobicContact CB-CD1 4.31Å; R132-L180 HydrophobicContact CB-CD2 4.12Å; R132-L180 HydrophobicContact CG-CD2 3.9Å; R132-E598 IonicContact CZ-OE1 2.85Å; R132-E598 IonicContact NH1-OE1 3.74Å; R132-E598 PolarHBondContact NH1-OE1 3.1Å |
| 133 | Q | 85.1 | Confident | 86.2 | Confident | 11 Ų | 11 | 32 Ų | 32 | 5% | 0.051 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.5 | -46 | 172.6 | -69.7 | -176.4 | 25.7 | 0 | 0 | 112 | S104 A129 V130 W135 L136 E137 E598 | S104-Q133 PolarHBondContact OG-OE1 2.8Å; A129-Q133 WeakPolarHBondContact O-CG 3.45Å; A129-Q133 PolarHBondContact O-N 3.23Å; V130-Q133 PolarHBondContact O-N 3.07Å; Q133-W135 VanDerWaalsContact C-N 3.3Å; Q133-W135 PolarHBondContact O-N 2.95Å; Q133-L136 PolarHBondContact O-N 3.43Å; Q133-E137 PolarHBondContact O-N 3.12Å; Q133-E137 VanDerWaalsContact O-N 3.09Å; Q133-E598 HydrophobicContact CG-CG 4.36Å; Q133-E598 WeakPolarHBondContact CG-OE2 3.38Å; Q133-E598 PolarHBondContact NE2-OE2 2.94Å |
| 134 | A | 88.5 | Confident | 86.8 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L25 V130 L131 N138 V139 | L25-A134 HydrophobicContact CD1-CB 4.18Å; V130-A134 PolarHBondContact O-N 3.02Å; L131-A134 PolarHBondContact O-N 2.65Å; A134-N138 PolarHBondContact O-N 3.32Å; A134-V139 HydrophobicContact CB-CB 4.43Å; A134-V139 PolarHBondContact O-N 3.47Å |
| 135 | W | 86.6 | Confident | 87.3 | Confident | 55 Ų | 55 | 31.5 Ų | 31.5 | 21% | 0.208 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.9 | -50 | 173.1 | -171.5 | -105.7 | 0 | 0 | 0 | 112.2 | L131 R132 Q133 E137 N138 L180 F181 K184 L223 | L131-W135 WeakPolarHBondContact O-CB 3.41Å; L131-W135 PolarHBondContact O-N 2.76Å; R132-W135 WeakPolarHBondContact O-CB 3.48Å; R132-W135 PolarHBondContact O-N 2.79Å; Q133-W135 VanDerWaalsContact C-N 3.3Å; Q133-W135 PolarHBondContact O-N 2.95Å; W135-E137 VanDerWaalsContact C-N 3.28Å; W135-E137 PolarHBondContact O-N 3.07Å; W135-N138 PolarHBondContact O-N 2.96Å; W135-N138 PolarHBondContact O-OD1 2.97Å; W135-L180 HydrophobicContact CB-CD1 4.17Å; W135-L180 HydrophobicContact CD2-CB 4.23Å; W135-L180 HydrophobicContact CG-CB 4.15Å; W135-L180 HydrophobicContact CG-CD1 4.32Å; W135-L180 PolarHBondContact NE1-O 3.45Å; W135-F181 HydrophobicContact CH2-CB 4.43Å; W135-F181 HydrophobicContact CH2-CD2 4.04Å; W135-F181 HydrophobicContact CZ2-CB 4.48Å; W135-F181 HydrophobicContact CZ2-CD2 4.34Å; W135-K184 HydrophobicContact CZ2-CB 4Å; W135-K184 HydrophobicContact CZ2-CD 3.93Å; W135-L223 HydrophobicContact CH2-CD1 3.8Å; W135-L223 HydrophobicContact CH2-CD2 3.64Å; W135-L223 HydrophobicContact CH2-CG 4.07Å; W135-L223 HydrophobicContact CZ3-CD1 3.73Å; W135-L223 HydrophobicContact CZ3-CD2 3.76Å; W135-L223 HydrophobicContact CZ3-CG 3.83Å |
| 136 | L | 83.4 | Confident | 88.1 | Confident | 80 Ų | 80 | 30.7 Ų | 30.7 | 42% | 0.419 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62.2 | -31.5 | -179.1 | -75.6 | 167.9 | 0 | 0 | 0 | 113.3 | R132 Q133 K377 | R132-L136 HydrophobicContact CG-CD1 4.06Å; R132-L136 HydrophobicContact CG-CG 4.48Å; R132-L136 WeakPolarHBondContact O-CB 3.34Å; R132-L136 VanDerWaalsContact O-CG 3.22Å; R132-L136 WeakPolarHBondContact O-CG 3.44Å; R132-L136 PolarHBondContact O-N 3.13Å; Q133-L136 PolarHBondContact O-N 3.43Å; L136-K377 PolarHBondContact O-NZ 2.81Å |
| 137 | E | 83.2 | Confident | 88.6 | Confident | 24 Ų | 24 | 30.7 Ų | 30.7 | 11% | 0.112 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 12.7 | 176.5 | -72.5 | -71.9 | 162.3 | 0 | 0 | 113.2 | V107 R108 Q133 W135 V139 K374 | V107-E137 HydrophobicContact CG1-CB 3.85Å; V107-E137 HydrophobicContact CG1-CG 4.17Å; R108-E137 HydrophobicContact CB-CG 4.47Å; Q133-E137 PolarHBondContact O-N 3.12Å; Q133-E137 VanDerWaalsContact O-N 3.09Å; W135-E137 VanDerWaalsContact C-N 3.28Å; W135-E137 PolarHBondContact O-N 3.07Å; E137-V139 VanDerWaalsContact C-N 3.27Å; E137-V139 HydrophobicContact CB-CG2 4.04Å; E137-V139 PolarHBondContact O-N 2.69Å; E137-K374 VanDerWaalsContact O-CD 3.29Å; E137-K374 WeakPolarHBondContact O-CD 3.49Å; E137-K374 WeakPolarHBondContact O-CE 3.5Å; E137-K374 PolarHBondContact O-NZ 3.36Å |
| 138 | N | 86.6 | Confident | 89 | Confident | 51 Ų | 51 | 30.5 Ų | 30.5 | 27% | 0.273 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 47.1 | -178.1 | -83.4 | -12.2 | 0 | 0 | 0 | 112.4 | A134 W135 E373 K374 | A134-N138 PolarHBondContact O-N 3.32Å; W135-N138 PolarHBondContact O-N 2.96Å; W135-N138 PolarHBondContact O-OD1 2.97Å; N138-E373 WeakPolarHBondContact ND2-CB 3.45Å; N138-E373 PolarHBondContact ND2-OE2 3.45Å; N138-K374 HydrophobicContact CB-CB 4.24Å; N138-K374 HydrophobicContact CB-CD 4.37Å |
| 139 | V | 87.6 | Confident | 89.2 | Confident | 6 Ų | 6 | 26.4 Ų | 26.4 | 4% | 0.036 | 13% | 0.126 | C | C | . | . | P | Polyproline II helix | trans | -100.9 | 129.4 | 179.1 | 173.2 | 0 | 0 | 0 | 0 | 109.4 | V107 G112 A113 A134 E137 P141 K374 | V107-V139 HydrophobicContact CG1-CB 4.33Å; V107-V139 HydrophobicContact CG1-CG2 3.78Å; V107-V139 WeakPolarHBondContact O-CG2 3.48Å; G112-V139 VanDerWaalsContact CA-CG1 3.49Å; A113-V139 HydrophobicContact CB-CG1 3.82Å; A134-V139 HydrophobicContact CB-CB 4.43Å; A134-V139 PolarHBondContact O-N 3.47Å; E137-V139 VanDerWaalsContact C-N 3.27Å; E137-V139 HydrophobicContact CB-CG2 4.04Å; E137-V139 PolarHBondContact O-N 2.69Å; V139-P141 VanDerWaalsContact O-CD 3.23Å; V139-P141 WeakPolarHBondContact O-CD 3.21Å; V139-K374 VanDerWaalsContact CG2-NZ 3.29Å |
| 140 | R | 88.1 | Confident | 89.6 | Confident | 79 Ų | 79 | 26.8 Ų | 26.8 | 30% | 0.298 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 116.2 | -177.7 | -164.2 | -177.3 | -164.1 | 161.6 | 16 | 111.3 | D111 G112 A113 H222 K363 L364 | D111-R140 PolarHBondContact O-N 3.28Å; G112-R140 CarbonylContact C-O 3.58Å; G112-R140 VanDerWaalsContact CA-O 3.27Å; G112-R140 WeakPolarHBondContact CA-O 3.29Å; A113-R140 PolarHBondContact N-O 2.84Å; R140-H222 PolarHBondContact NH2-CD2 2.93Å; R140-H222 VanDerWaalsContact NH2-CG 3.34Å; R140-K363 VanDerWaalsContact CD-O 3.23Å; R140-K363 WeakPolarHBondContact CD-O 3.34Å; R140-K363 PolarHBondContact NH1-O 2.81Å; R140-L364 HydrophobicContact CB-CD2 4.35Å; R140-L364 WeakPolarHBondContact O-CD2 3.3Å |
| 141 | P | 91.8 | Very high | 89.8 | Confident | 30 Ų | 30 | 26 Ų | 26 | 20% | 0.195 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 152.5 | 179.6 | 36.5 | -34.6 | 0 | 0 | 0 | 111.7 | A113 V115 L131 V139 F225 | A113-P141 CarbonylContact O-C 3.57Å; A113-P141 WeakPolarHBondContact O-CA 3.21Å; V115-P141 HydrophobicContact CG2-CB 4.03Å; L131-P141 HydrophobicContact CD2-CB 4.45Å; V139-P141 VanDerWaalsContact O-CD 3.23Å; V139-P141 WeakPolarHBondContact O-CD 3.21Å; P141-F225 HydrophobicContact CB-CE1 4.23Å; P141-F225 HydrophobicContact CB-CZ 3.87Å; P141-F225 HydrophobicContact CG-CE1 4.2Å; P141-F225 HydrophobicContact CG-CZ 3.72Å |
| 142 | V | 92.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 131.9 | 178.8 | 177.2 | 0 | 0 | 0 | 0 | 108.2 | A113 I114 V115 M359 K363 L364 | A113-V142 PolarHBondContact O-N 3.29Å; I114-V142 CarbonylContact C-O 3.56Å; I114-V142 WeakPolarHBondContact CA-O 3.27Å; V115-V142 PolarHBondContact N-O 2.9Å; V142-M359 HydrophobicContact CG1-CE 3.31Å; V142-M359 HydrophobicContact CG1-CG 3.64Å; V142-M359 HydrophobicContact CG1-SD 3.39Å; V142-M359 WeakPolarHBondContact CG1-SD 3.06Å; V142-K363 HydrophobicContact CG2-CB 4.3Å; V142-L364 HydrophobicContact CG2-CD2 3.45Å; V142-L364 VanDerWaalsContact CG2-CD2 3.45Å; V142-L364 HydrophobicContact CG2-CG 4.3Å |
| 143 | L | 93.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 128.4 | -166.8 | 179 | 65.5 | 0 | 0 | 0 | 112.9 | V115 V117 I145 L170 V173 F225 N231 V232 V233 M359 | V115-L143 HydrophobicContact CG1-CD1 4.49Å; V117-L143 HydrophobicContact CB-CD1 4.16Å; V117-L143 HydrophobicContact CG2-CD1 3.55Å; L143-I145 HydrophobicContact CD2-CD1 4.32Å; L143-I145 HydrophobicContact CD2-CG1 4.26Å; L143-I145 HydrophobicContact CG-CG1 4.21Å; L143-L170 HydrophobicContact CD2-CD2 3.54Å; L143-V173 HydrophobicContact CD1-CG2 4.48Å; L143-V173 HydrophobicContact CD2-CG1 4.42Å; L143-V173 HydrophobicContact CD2-CG2 4.31Å; L143-F225 HydrophobicContact CB-CB 4.37Å; L143-F225 HydrophobicContact CB-CD1 3.43Å; L143-F225 VanDerWaalsContact CB-CD1 3.43Å; L143-F225 HydrophobicContact CB-CE1 3.84Å; L143-F225 HydrophobicContact CB-CG 3.94Å; L143-F225 HydrophobicContact CD2-CB 3.87Å; L143-F225 HydrophobicContact CD2-CD1 4.37Å; L143-F225 HydrophobicContact CD2-CG 4.01Å; L143-N231 PolarHBondContact N-O 3.36Å; L143-N231 VanDerWaalsContact N-O 3.09Å; L143-V232 HydrophobicContact CB-CG2 4.46Å; L143-V232 HydrophobicContact CD2-CG1 4.36Å; L143-V232 HydrophobicContact CD2-CG2 4.34Å; L143-V232 WeakPolarHBondContact O-CA 3.4Å; L143-V233 PolarHBondContact O-N 2.82Å; L143-M359 WeakPolarHBondContact O-CE 3.36Å |
| 144 | V | 95.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 116.7 | 168.6 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | L35 I114 V115 V116 V117 V233 A235 V356 | L35-V144 HydrophobicContact CD1-CB 4.44Å; L35-V144 HydrophobicContact CD1-CG1 3.76Å; I114-V144 HydrophobicContact CG2-CB 4.37Å; I114-V144 HydrophobicContact CG2-CG2 3.68Å; V115-V144 PolarHBondContact O-N 3.02Å; V116-V144 WeakPolarHBondContact CA-O 3.36Å; V117-V144 PolarHBondContact N-O 3.48Å; V144-V233 WeakPolarHBondContact CA-O 3.34Å; V144-V233 HydrophobicContact CG1-CG1 4.36Å; V144-V233 HydrophobicContact CG2-CB 4.35Å; V144-V233 HydrophobicContact CG2-CG1 4.47Å; V144-A235 HydrophobicContact CG1-CB 4.11Å; V144-V356 HydrophobicContact CG2-CG2 4.28Å |
| 145 | I | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 109.2 | 172.1 | -60.7 | 173.3 | 0 | 0 | 0 | 107.7 | V117 A119 L143 L166 I169 L170 V232 V233 F234 A235 | V117-I145 CarbonylContact O-C 3.59Å; V117-I145 WeakPolarHBondContact O-CA 3.33Å; A119-I145 HydrophobicContact CB-CG2 3.82Å; L143-I145 HydrophobicContact CD2-CD1 4.32Å; L143-I145 HydrophobicContact CD2-CG1 4.26Å; L143-I145 HydrophobicContact CG-CG1 4.21Å; I145-L166 HydrophobicContact CD1-CD2 4.36Å; I145-L166 HydrophobicContact CG2-CD2 3.75Å; I145-I169 HydrophobicContact CD1-CG2 4.25Å; I145-L170 HydrophobicContact CD1-CD2 4.19Å; I145-L170 HydrophobicContact CD1-CG 4.06Å; I145-V232 HydrophobicContact CD1-CG1 4.22Å; I145-V233 PolarHBondContact N-O 2.99Å; I145-F234 HydrophobicContact CB-CD1 4.29Å; I145-F234 HydrophobicContact CD1-CD1 4.4Å; I145-F234 HydrophobicContact CD1-CE1 3.94Å; I145-A235 PolarHBondContact O-N 3.07Å |
| 146 | N | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 174.4 | -171.4 | -166.3 | 18.5 | 0 | 0 | 0 | 111.9 | H30 G31 V116 V117 A119 M148 A235 A237 | H30-N146 PolarHBondContact O-ND2 2.86Å; G31-N146 PolarHBondContact O-ND2 3.2Å; V116-N146 HydrophobicContact CG1-CB 3.73Å; V117-N146 PolarHBondContact O-N 2.91Å; A119-N146 VanDerWaalsContact CB-O 3.25Å; A119-N146 WeakPolarHBondContact CB-O 3.46Å; A119-N146 PolarHBondContact N-O 3.42Å; N146-M148 VanDerWaalsContact C-N 3.26Å; N146-M148 PolarHBondContact O-N 3.42Å; N146-A235 CarbonylContact C-O 3.55Å; N146-A235 WeakPolarHBondContact CA-O 3.49Å; N146-A237 PolarHBondContact OD1-N 2.69Å |
| 147 | K | 92.9 | Very high | 90.3 | Very high | 20 Ų | 20 | 34.8 Ų | 34.8 | 9% | 0.087 | 16% | 0.164 | C | C | . | . | trans | 55.9 | 30.7 | -179.1 | -47.8 | -163.6 | -149.6 | 155.7 | 0 | 114.9 | D29 D118 E121 D149 R150 A235 | D29-K147 WeakPolarHBondContact O-CE 3.3Å; D29-K147 PolarHBondContact O-NZ 3.12Å; D118-K147 WeakPolarHBondContact OD2-CD 3.41Å; D118-K147 WeakPolarHBondContact OD2-CE 3.45Å; D118-K147 IonicContact OD2-NZ 2.72Å; D118-K147 PolarHBondContact OD2-NZ 3.1Å; E121-K147 IonicContact OE1-NZ 3.41Å; E121-K147 PolarHBondContact OE1-NZ 2.94Å; E121-K147 IonicContact OE2-NZ 2.74Å; K147-D149 VanDerWaalsContact C-OD1 3.28Å; K147-D149 VanDerWaalsContact CA-OD1 3.32Å; K147-D149 WeakPolarHBondContact CA-OD1 3.36Å; K147-D149 PolarHBondContact O-N 3.35Å; K147-R150 HydrophobicContact CB-CG 4.01Å; K147-R150 WeakPolarHBondContact O-CB 3.31Å; K147-R150 PolarHBondContact O-N 3.37Å; K147-A235 PolarHBondContact N-O 3.38Å | ||
| 148 | M | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.5 | -23.2 | 176.7 | -83.8 | -160.6 | 66.7 | 0 | 0 | 114.3 | A119 N146 R150 L151 L166 F234 A235 W241 L298 W302 | A119-M148 HydrophobicContact CB-CG 4.17Å; N146-M148 VanDerWaalsContact C-N 3.26Å; N146-M148 PolarHBondContact O-N 3.42Å; M148-R150 PolarHBondContact O-N 3.35Å; M148-L151 WeakPolarHBondContact O-CB 3.03Å; M148-L151 PolarHBondContact O-N 2.88Å; M148-L166 HydrophobicContact CE-CD1 3.96Å; M148-L166 HydrophobicContact SD-CD1 4.43Å; M148-F234 HydrophobicContact SD-CB 3.71Å; M148-F234 HydrophobicContact SD-CD1 4.13Å; M148-F234 HydrophobicContact SD-CG 4.32Å; M148-A235 PolarHBondContact N-O 3.46Å; M148-A235 VanDerWaalsContact N-O 3.15Å; M148-W241 HydrophobicContact CB-CH2 3.6Å; M148-W241 HydrophobicContact CB-CZ2 4.09Å; M148-W241 HydrophobicContact CE-CH2 4.33Å; M148-W241 HydrophobicContact CG-CH2 4.32Å; M148-W241 HydrophobicContact SD-CH2 3.94Å; M148-W241 HydrophobicContact SD-CZ3 4.25Å; M148-L298 HydrophobicContact CE-CD2 3.97Å; M148-W302 HydrophobicContact CE-CH2 4.04Å; M148-W302 HydrophobicContact CE-CZ3 4.11Å |
| 149 | D | 90.9 | Very high | 90.9 | Very high | 9 Ų | 9 | 35 Ų | 35 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.3 | -31 | 172.2 | 54.1 | -72.9 | 0 | 0 | 0 | 113.1 | K147 I152 M153 S236 D239 Y305 | K147-D149 VanDerWaalsContact C-OD1 3.28Å; K147-D149 VanDerWaalsContact CA-OD1 3.32Å; K147-D149 WeakPolarHBondContact CA-OD1 3.36Å; K147-D149 PolarHBondContact O-N 3.35Å; D149-I152 PolarHBondContact O-N 3.46Å; D149-M153 WeakPolarHBondContact O-CB 3.32Å; D149-M153 WeakPolarHBondContact O-CG 3.48Å; D149-M153 PolarHBondContact O-N 2.85Å; D149-S236 VanDerWaalsContact CG-OG 3.27Å; D149-S236 VanDerWaalsContact OD1-CB 3.24Å; D149-S236 WeakPolarHBondContact OD1-CB 3.22Å; D149-S236 PolarHBondContact OD1-OG 3.19Å; D149-D239 WeakPolarHBondContact CB-OD2 3.42Å; D149-Y305 HydrophobicContact CB-CE1 4.24Å |
| 150 | R | 90.4 | Very high | 91.1 | Very high | 40 Ų | 40 | 38.2 Ų | 38.2 | 15% | 0.151 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.5 | -34.8 | 178.4 | -59 | 179.9 | 67.3 | -169.5 | 4.1 | 112.7 | D118 V120 E121 K147 M148 I152 M153 E154 L155 | D118-R150 IonicContact OD1-NH1 3.75Å; D118-R150 IonicContact OD2-CZ 2.85Å; D118-R150 IonicContact OD2-NH1 2.67Å; D118-R150 PolarHBondContact OD2-NH1 2.83Å; V120-R150 HydrophobicContact CG2-CB 3.51Å; E121-R150 IonicContact OE1-CZ 3.81Å; E121-R150 IonicContact OE1-NH1 2.78Å; E121-R150 PolarHBondContact OE1-NH1 3.32Å; E121-R150 IonicContact OE1-NH2 2.72Å; K147-R150 HydrophobicContact CB-CG 4.01Å; K147-R150 WeakPolarHBondContact O-CB 3.31Å; K147-R150 PolarHBondContact O-N 3.37Å; M148-R150 PolarHBondContact O-N 3.35Å; R150-I152 PolarHBondContact O-N 3.27Å; R150-M153 PolarHBondContact O-N 3.23Å; R150-E154 HydrophobicContact CB-CG 4.37Å; R150-E154 WeakPolarHBondContact CG-OE1 3.4Å; R150-E154 IonicContact CZ-OE2 3.75Å; R150-E154 VanDerWaalsContact CZ-OE2 3.28Å; R150-E154 VanDerWaalsContact NE-CD 3.3Å; R150-E154 IonicContact NE-OE1 3.87Å; R150-E154 PolarHBondContact NE-OE1 3.01Å; R150-E154 VanDerWaalsContact NE-OE1 3.17Å; R150-E154 IonicContact NE-OE2 2.63Å; R150-E154 PolarHBondContact NE-OE2 3.23Å; R150-E154 IonicContact NH2-OE2 2.86Å; R150-E154 PolarHBondContact NH2-OE2 2.83Å; R150-E154 WeakPolarHBondContact O-CA 3.5Å; R150-E154 WeakPolarHBondContact O-CB 3.41Å; R150-E154 PolarHBondContact O-N 3.17Å; R150-L155 PolarHBondContact O-N 3.31Å; R150-L155 VanDerWaalsContact O-N 3.11Å |
| 151 | L | 90.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.1 | -34.8 | 172.7 | -62.7 | -177 | 0 | 0 | 0 | 111.7 | A119 V120 M148 L155 K156 L157 A162 | A119-L151 HydrophobicContact CB-CD1 3.99Å; A119-L151 HydrophobicContact CB-CG 4.07Å; A119-L151 WeakPolarHBondContact O-CD2 2.94Å; V120-L151 HydrophobicContact CG2-CD2 3.93Å; M148-L151 WeakPolarHBondContact O-CB 3.03Å; M148-L151 PolarHBondContact O-N 2.88Å; L151-L155 HydrophobicContact CD2-CD1 3.98Å; L151-K156 PolarHBondContact O-N 3.18Å; L151-K156 VanDerWaalsContact O-N 3.08Å; L151-L157 HydrophobicContact CD2-CD1 4.08Å; L151-L157 PolarHBondContact O-N 2.88Å; L151-A162 HydrophobicContact CD1-CB 4.26Å |
| 152 | I | 90.3 | Very high | 91.1 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 10% | 0.103 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -84.2 | -42.1 | -177.7 | -52.9 | 171.1 | 0 | 0 | 0 | 111.1 | D149 R150 K156 I301 W302 Y305 | D149-I152 PolarHBondContact O-N 3.46Å; R150-I152 PolarHBondContact O-N 3.27Å; I152-K156 WeakPolarHBondContact O-CA 3.37Å; I152-I301 HydrophobicContact CD1-CG2 4.07Å; I152-W302 HydrophobicContact CD1-CD2 4.25Å; I152-W302 HydrophobicContact CD1-CE3 3.93Å; I152-W302 HydrophobicContact CD1-CH2 4.1Å; I152-W302 HydrophobicContact CD1-CZ2 4.4Å; I152-W302 HydrophobicContact CD1-CZ3 3.84Å; I152-W302 HydrophobicContact CG1-CD2 4Å; I152-W302 HydrophobicContact CG1-CE3 4.08Å; I152-W302 HydrophobicContact CG1-CH2 3.69Å; I152-W302 HydrophobicContact CG1-CZ2 3.58Å; I152-W302 HydrophobicContact CG1-CZ3 3.93Å; I152-Y305 HydrophobicContact CB-CD1 4.49Å; I152-Y305 HydrophobicContact CD1-CD1 4.32Å; I152-Y305 HydrophobicContact CD1-CD2 3.63Å; I152-Y305 HydrophobicContact CD1-CE1 4.37Å; I152-Y305 HydrophobicContact CD1-CE2 3.68Å; I152-Y305 HydrophobicContact CD1-CG 3.97Å; I152-Y305 HydrophobicContact CG2-CD1 4Å; I152-Y305 HydrophobicContact CG2-CG 3.87Å |
| 153 | M | 87.8 | Confident | 91 | Very high | 64 Ų | 64 | 37.7 Ų | 37.7 | 32% | 0.315 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -98.5 | -40 | -167.7 | -67.3 | -59.6 | -50 | 0 | 0 | 114.4 | D149 R150 K156 Y305 V309 | D149-M153 WeakPolarHBondContact O-CB 3.32Å; D149-M153 WeakPolarHBondContact O-CG 3.48Å; D149-M153 PolarHBondContact O-N 2.85Å; R150-M153 PolarHBondContact O-N 3.23Å; M153-K156 WeakPolarHBondContact O-CE 3.49Å; M153-Y305 HydrophobicContact CG-CD1 4.27Å; M153-Y305 HydrophobicContact CG-CE1 4.34Å; M153-Y305 HydrophobicContact SD-CD1 4.03Å; M153-V309 HydrophobicContact CE-CG1 3.74Å; M153-V309 HydrophobicContact SD-CB 4.47Å; M153-V309 HydrophobicContact SD-CG1 4.1Å |
| 154 | E | 87.1 | Confident | 90.8 | Very high | 109 Ų | 109 | 40.7 Ų | 40.7 | 51% | 0.509 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -64.5 | -178.9 | -64.2 | 174.4 | -161.4 | 0 | 0 | 109.8 | R150 | R150-E154 HydrophobicContact CB-CG 4.37Å; R150-E154 WeakPolarHBondContact CG-OE1 3.4Å; R150-E154 IonicContact CZ-OE2 3.75Å; R150-E154 VanDerWaalsContact CZ-OE2 3.28Å; R150-E154 VanDerWaalsContact NE-CD 3.3Å; R150-E154 IonicContact NE-OE1 3.87Å; R150-E154 PolarHBondContact NE-OE1 3.01Å; R150-E154 VanDerWaalsContact NE-OE1 3.17Å; R150-E154 IonicContact NE-OE2 2.63Å; R150-E154 PolarHBondContact NE-OE2 3.23Å; R150-E154 IonicContact NH2-OE2 2.86Å; R150-E154 PolarHBondContact NH2-OE2 2.83Å; R150-E154 WeakPolarHBondContact O-CA 3.5Å; R150-E154 WeakPolarHBondContact O-CB 3.41Å; R150-E154 PolarHBondContact O-N 3.17Å |
| 155 | L | 86.1 | Confident | 90.4 | Very high | 76 Ų | 76 | 41.6 Ų | 41.6 | 40% | 0.398 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -75.3 | -24.1 | -178.1 | -59 | -174.5 | 0 | 0 | 0 | 113.5 | V120 R150 L151 L157 | V120-L155 HydrophobicContact CG1-CD1 4.34Å; V120-L155 HydrophobicContact CG2-CD1 4.03Å; V120-L155 HydrophobicContact CG2-CG 4.4Å; R150-L155 PolarHBondContact O-N 3.31Å; R150-L155 VanDerWaalsContact O-N 3.11Å; L151-L155 HydrophobicContact CD2-CD1 3.98Å; L155-L157 HydrophobicContact CB-CD2 4.22Å; L155-L157 HydrophobicContact CB-CG 3.9Å; L155-L157 HydrophobicContact CD1-CD1 4.36Å; L155-L157 PolarHBondContact O-N 3.44Å |
| 156 | K | 89.3 | Confident | 90.2 | Very high | 158 Ų | 158 | 41.6 Ų | 41.6 | 69% | 0.687 | 21% | 0.207 | S | C | * | . | trans | 54.2 | 33.5 | 178.7 | -59.5 | 167.5 | -172.3 | 161 | 0 | 113.9 | L151 I152 M153 | L151-K156 PolarHBondContact O-N 3.18Å; L151-K156 VanDerWaalsContact O-N 3.08Å; I152-K156 WeakPolarHBondContact O-CA 3.37Å; M153-K156 WeakPolarHBondContact O-CE 3.49Å | ||
| 157 | L | 89.9 | Confident | 89.8 | Confident | 43 Ų | 43 | 44.6 Ų | 44.6 | 23% | 0.225 | 22% | 0.221 | C | C | . | . | trans | -60.2 | 149.5 | 177.9 | -59.9 | -175.7 | 0 | 0 | 0 | 110.8 | L151 L155 E161 A162 W302 | L151-L157 HydrophobicContact CD2-CD1 4.08Å; L151-L157 PolarHBondContact O-N 2.88Å; L155-L157 HydrophobicContact CB-CD2 4.22Å; L155-L157 HydrophobicContact CB-CG 3.9Å; L155-L157 HydrophobicContact CD1-CD1 4.36Å; L155-L157 PolarHBondContact O-N 3.44Å; L157-E161 HydrophobicContact CB-CB 4.19Å; L157-A162 HydrophobicContact CB-CB 4.45Å; L157-W302 PolarHBondContact O-NE1 3.11Å | ||
| 158 | T | 92.4 | Very high | 89.5 | Confident | 75 Ų | 75 | 48 Ų | 48 | 46% | 0.46 | 24% | 0.236 | S | C | . | . | trans | -68.7 | 157.8 | 165.7 | 70.3 | 0 | 0 | 0 | 0 | 110.4 | L160 E161 A162 | T158-L160 PolarHBondContact O-N 3.45Å; T158-E161 WeakPolarHBondContact CA-OE2 3.13Å; T158-E161 WeakPolarHBondContact CB-OE2 3.37Å; T158-E161 VanDerWaalsContact CG2-OE2 3.23Å; T158-E161 WeakPolarHBondContact CG2-OE2 3.44Å; T158-E161 PolarHBondContact N-OE2 3.37Å; T158-E161 PolarHBondContact O-N 3.33Å; T158-E161 VanDerWaalsContact O-N 3.13Å; T158-E161 VanDerWaalsContact OG1-CD 3.24Å; T158-E161 PolarHBondContact OG1-N 3.23Å; T158-E161 PolarHBondContact OG1-OE2 3.17Å; T158-A162 WeakPolarHBondContact O-CB 3.37Å; T158-A162 PolarHBondContact O-N 3.27Å | ||
| 159 | A | 91.6 | Very high | 89.3 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.4 | -19.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y163 V294 L298 D299 W302 | A159-Y163 PolarHBondContact O-N 3.05Å; A159-V294 HydrophobicContact CB-CG1 3.87Å; A159-L298 HydrophobicContact CB-CB 3.79Å; A159-L298 VanDerWaalsContact O-CD1 3.27Å; A159-L298 WeakPolarHBondContact O-CD1 3.47Å; A159-D299 WeakPolarHBondContact CB-OD1 3.48Å; A159-W302 HydrophobicContact CB-CD2 4.12Å; A159-W302 HydrophobicContact CB-CG 4.16Å |
| 160 | L | 90.3 | Very high | 89.1 | Confident | 74 Ų | 74 | 48 Ų | 48 | 39% | 0.387 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -82.5 | -43 | 175.5 | -176.6 | 61.8 | 0 | 0 | 0 | 112 | T158 Y163 T164 P291 V294 | T158-L160 PolarHBondContact O-N 3.45Å; L160-Y163 WeakPolarHBondContact O-CB 3.48Å; L160-Y163 PolarHBondContact O-N 2.68Å; L160-T164 PolarHBondContact O-N 2.94Å; L160-T164 VanDerWaalsContact O-N 3.15Å; L160-P291 HydrophobicContact CD1-CG 4.37Å; L160-V294 HydrophobicContact CD1-CG2 4.17Å |
| 161 | E | 90.8 | Very high | 88.9 | Confident | 97 Ų | 97 | 48 Ų | 48 | 45% | 0.453 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -68.2 | -37.2 | 175.7 | -67.5 | 150.8 | 152.5 | 0 | 0 | 111.3 | L157 T158 Y163 T164 H165 | L157-E161 HydrophobicContact CB-CB 4.19Å; T158-E161 WeakPolarHBondContact CA-OE2 3.13Å; T158-E161 WeakPolarHBondContact CB-OE2 3.37Å; T158-E161 VanDerWaalsContact CG2-OE2 3.23Å; T158-E161 WeakPolarHBondContact CG2-OE2 3.44Å; T158-E161 PolarHBondContact N-OE2 3.37Å; T158-E161 PolarHBondContact O-N 3.33Å; T158-E161 VanDerWaalsContact O-N 3.13Å; T158-E161 VanDerWaalsContact OG1-CD 3.24Å; T158-E161 PolarHBondContact OG1-N 3.23Å; T158-E161 PolarHBondContact OG1-OE2 3.17Å; E161-Y163 VanDerWaalsContact C-N 3.29Å; E161-Y163 PolarHBondContact O-N 3.21Å; E161-T164 PolarHBondContact O-N 3.47Å; E161-T164 PolarHBondContact O-OG1 3.03Å; E161-H165 WeakPolarHBondContact O-CB 3.43Å; E161-H165 PolarHBondContact O-N 2.98Å |
| 162 | A | 90.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.8 | -36.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L151 L157 T158 H165 L166 W302 | L151-A162 HydrophobicContact CD1-CB 4.26Å; L157-A162 HydrophobicContact CB-CB 4.45Å; T158-A162 WeakPolarHBondContact O-CB 3.37Å; T158-A162 PolarHBondContact O-N 3.27Å; A162-H165 PolarHBondContact O-N 2.92Å; A162-L166 VanDerWaalsContact O-CG 3.23Å; A162-L166 WeakPolarHBondContact O-CG 3.45Å; A162-L166 PolarHBondContact O-N 2.86Å; A162-W302 HydrophobicContact CB-CH2 3.65Å; A162-W302 HydrophobicContact CB-CZ2 3.41Å; A162-W302 VanDerWaalsContact CB-CZ2 3.41Å |
| 163 | Y | 90 | Very high | 88.5 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -45.8 | 175 | 176.9 | -112.7 | 0 | 0 | 0 | 112.3 | A159 L160 E161 H165 L166 Q167 W268 G269 P291 F293 V294 | A159-Y163 PolarHBondContact O-N 3.05Å; L160-Y163 WeakPolarHBondContact O-CB 3.48Å; L160-Y163 PolarHBondContact O-N 2.68Å; E161-Y163 VanDerWaalsContact C-N 3.29Å; E161-Y163 PolarHBondContact O-N 3.21Å; Y163-H165 VanDerWaalsContact C-N 3.3Å; Y163-H165 PolarHBondContact O-N 2.71Å; Y163-L166 PolarHBondContact O-N 3.18Å; Y163-Q167 HydrophobicContact CE1-CG 4.34Å; Y163-Q167 HydrophobicContact CE2-CG 4.3Å; Y163-Q167 WeakPolarHBondContact O-CG 3.48Å; Y163-Q167 PolarHBondContact O-N 2.89Å; Y163-Q167 PolarHBondContact OH-NE2 2.75Å; Y163-W268 HydrophobicContact CD2-CH2 4.12Å; Y163-W268 AromaticContact CD2-CZ3 3.95Å; Y163-W268 HydrophobicContact CD2-CZ3 3.95Å; Y163-W268 HydrophobicContact CE2-CD2 4.2Å; Y163-W268 AromaticContact CE2-CE3 3.75Å; Y163-W268 HydrophobicContact CE2-CE3 3.75Å; Y163-W268 AromaticContact CE2-CH2 3.77Å; Y163-W268 HydrophobicContact CE2-CH2 3.77Å; Y163-W268 HydrophobicContact CE2-CZ2 4.22Å; Y163-W268 AromaticContact CE2-CZ3 3.53Å; Y163-W268 HydrophobicContact CE2-CZ3 3.53Å; Y163-G269 WeakPolarHBondContact OH-CA 3.32Å; Y163-G269 PolarHBondContact OH-N 2.98Å; Y163-G269 PolarHBondContact OH-O 2.82Å; Y163-P291 HydrophobicContact CD1-CB 4.41Å; Y163-P291 HydrophobicContact CD1-CG 4.02Å; Y163-P291 HydrophobicContact CE1-CB 3.91Å; Y163-P291 HydrophobicContact CE1-CG 3.74Å; Y163-F293 HydrophobicContact CD2-CB 4.19Å; Y163-F293 AromaticContact CD2-CD1 3.5Å; Y163-F293 HydrophobicContact CD2-CD1 3.5Å; Y163-F293 HydrophobicContact CD2-CE1 4.23Å; Y163-F293 HydrophobicContact CD2-CG 4.17Å; Y163-F293 HydrophobicContact CE2-CB 3.91Å; Y163-F293 AromaticContact CE2-CD1 3.88Å; Y163-F293 HydrophobicContact CE2-CD1 3.88Å; Y163-F293 HydrophobicContact CE2-CG 4.11Å; Y163-V294 HydrophobicContact CD1-CG2 4.06Å; Y163-V294 HydrophobicContact CG-CG2 3.84Å |
| 164 | T | 88 | Confident | 88.5 | Confident | 63 Ų | 63 | 48.3 Ų | 48.3 | 39% | 0.387 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.8 | -32.3 | 176.9 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | L160 E161 Q167 K168 | L160-T164 PolarHBondContact O-N 2.94Å; L160-T164 VanDerWaalsContact O-N 3.15Å; E161-T164 PolarHBondContact O-N 3.47Å; E161-T164 PolarHBondContact O-OG1 3.03Å; T164-Q167 PolarHBondContact O-N 2.82Å; T164-K168 PolarHBondContact O-N 2.84Å |
| 165 | H | 88.2 | Confident | 88.5 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 9% | 0.088 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -47.2 | 171.4 | -161.3 | -104 | 0 | 0 | 0 | 112.2 | A119 E161 A162 Y163 Q167 K168 I169 | A119-H165 PolarHBondContact O-CE1 3.37Å; A119-H165 PolarHBondContact O-ND1 3.49Å; A119-H165 VanDerWaalsContact O-ND1 3.09Å; E161-H165 WeakPolarHBondContact O-CB 3.43Å; E161-H165 PolarHBondContact O-N 2.98Å; A162-H165 PolarHBondContact O-N 2.92Å; Y163-H165 VanDerWaalsContact C-N 3.3Å; Y163-H165 PolarHBondContact O-N 2.71Å; H165-Q167 VanDerWaalsContact C-N 3.3Å; H165-Q167 PolarHBondContact O-N 2.87Å; H165-K168 WeakPolarHBondContact O-CB 3.14Å; H165-K168 PolarHBondContact O-N 2.83Å; H165-K168 VanDerWaalsContact O-N 3.1Å; H165-I169 PolarHBondContact O-N 2.95Å |
| 166 | L | 89.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.7 | -35.8 | 176.2 | -68.9 | 169.7 | 0 | 0 | 0 | 112.2 | I145 M148 A162 Y163 I169 L170 F234 W268 | I145-L166 HydrophobicContact CD1-CD2 4.36Å; I145-L166 HydrophobicContact CG2-CD2 3.75Å; M148-L166 HydrophobicContact CE-CD1 3.96Å; M148-L166 HydrophobicContact SD-CD1 4.43Å; A162-L166 VanDerWaalsContact O-CG 3.23Å; A162-L166 WeakPolarHBondContact O-CG 3.45Å; A162-L166 PolarHBondContact O-N 2.86Å; Y163-L166 PolarHBondContact O-N 3.18Å; L166-I169 PolarHBondContact O-N 2.93Å; L166-L170 WeakPolarHBondContact O-CG 3.33Å; L166-L170 PolarHBondContact O-N 3.16Å; L166-L170 VanDerWaalsContact O-N 3.1Å; L166-F234 HydrophobicContact CB-CE1 4.33Å; L166-F234 HydrophobicContact CD1-CD1 4.1Å; L166-F234 HydrophobicContact CD1-CE1 3.94Å; L166-F234 HydrophobicContact CD2-CD1 4.15Å; L166-F234 HydrophobicContact CD2-CE1 4.02Å; L166-F234 HydrophobicContact CG-CE1 4.32Å; L166-W268 HydrophobicContact CB-CH2 4.36Å |
| 167 | Q | 86.7 | Confident | 88.2 | Confident | 63 Ų | 63 | 36.2 Ų | 36.2 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 171.8 | -71.2 | -174.8 | -59 | 0 | 0 | 112.2 | Y163 T164 H165 L170 G171 W268 | Y163-Q167 HydrophobicContact CE1-CG 4.34Å; Y163-Q167 HydrophobicContact CE2-CG 4.3Å; Y163-Q167 WeakPolarHBondContact O-CG 3.48Å; Y163-Q167 PolarHBondContact O-N 2.89Å; Y163-Q167 PolarHBondContact OH-NE2 2.75Å; T164-Q167 PolarHBondContact O-N 2.82Å; H165-Q167 VanDerWaalsContact C-N 3.3Å; H165-Q167 PolarHBondContact O-N 2.87Å; Q167-L170 PolarHBondContact O-N 3.32Å; Q167-G171 PolarHBondContact O-N 3.47Å; Q167-W268 HydrophobicContact CG-CH2 4.33Å; Q167-W268 HydrophobicContact CG-CZ2 3.85Å |
| 168 | K | 86.5 | Confident | 87.9 | Confident | 90 Ų | 90 | 34.7 Ų | 34.7 | 39% | 0.391 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.4 | -46.3 | 174.8 | -74.7 | -165.9 | 174.4 | -151.8 | 0 | 112.4 | T164 H165 L170 G171 Q172 E1002 | T164-K168 PolarHBondContact O-N 2.84Å; H165-K168 WeakPolarHBondContact O-CB 3.14Å; H165-K168 PolarHBondContact O-N 2.83Å; H165-K168 VanDerWaalsContact O-N 3.1Å; K168-L170 VanDerWaalsContact C-N 3.34Å; K168-L170 PolarHBondContact O-N 3.31Å; K168-G171 PolarHBondContact O-N 3.09Å; K168-G171 VanDerWaalsContact O-N 3.16Å; K168-Q172 WeakPolarHBondContact O-CG 3.38Å; K168-Q172 PolarHBondContact O-N 3.01Å; K168-E1002 IonicContact NZ-OE2 2.7Å; K168-E1002 PolarHBondContact NZ-OE2 3Å |
| 169 | I | 87.8 | Confident | 87.4 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.3 | -45.6 | 178.2 | -67.6 | 173.1 | 0 | 0 | 0 | 110.6 | V117 A119 I145 H165 L166 G171 Q172 V173 | V117-I169 HydrophobicContact CG1-CG2 3.95Å; A119-I169 VanDerWaalsContact O-CD1 3.29Å; A119-I169 WeakPolarHBondContact O-CD1 3.47Å; I145-I169 HydrophobicContact CD1-CG2 4.25Å; H165-I169 PolarHBondContact O-N 2.95Å; L166-I169 PolarHBondContact O-N 2.93Å; I169-G171 VanDerWaalsContact C-N 3.33Å; I169-G171 PolarHBondContact O-N 3.33Å; I169-Q172 PolarHBondContact O-N 2.76Å; I169-V173 WeakPolarHBondContact O-CG2 3.32Å; I169-V173 PolarHBondContact O-N 3.42Å |
| 170 | L | 87.6 | Confident | 86.9 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 176.5 | -76.4 | 163.1 | 0 | 0 | 0 | 112.3 | L143 I145 L166 Q167 K168 V173 N174 F225 P227 V232 F234 W268 | L143-L170 HydrophobicContact CD2-CD2 3.54Å; I145-L170 HydrophobicContact CD1-CD2 4.19Å; I145-L170 HydrophobicContact CD1-CG 4.06Å; L166-L170 WeakPolarHBondContact O-CG 3.33Å; L166-L170 PolarHBondContact O-N 3.16Å; L166-L170 VanDerWaalsContact O-N 3.1Å; Q167-L170 PolarHBondContact O-N 3.32Å; K168-L170 VanDerWaalsContact C-N 3.34Å; K168-L170 PolarHBondContact O-N 3.31Å; L170-V173 PolarHBondContact O-N 2.77Å; L170-N174 VanDerWaalsContact O-CB 3.31Å; L170-N174 WeakPolarHBondContact O-CB 3.46Å; L170-N174 VanDerWaalsContact O-CG 3.29Å; L170-N174 PolarHBondContact O-N 3.14Å; L170-N174 PolarHBondContact O-ND2 3.3Å; L170-F225 HydrophobicContact CD2-CB 4.17Å; L170-P227 HydrophobicContact CD1-CG 3.68Å; L170-V232 HydrophobicContact CD2-CG1 4.1Å; L170-V232 HydrophobicContact CD2-CG2 3.82Å; L170-F234 HydrophobicContact CD1-CZ 4.43Å; L170-W268 HydrophobicContact CD1-CH2 3.86Å; L170-W268 HydrophobicContact CD1-CZ2 3.44Å; L170-W268 VanDerWaalsContact CD1-CZ2 3.44Å |
| 171 | G | 85.4 | Confident | 86.4 | Confident | 40 Ų | 40 | 34.5 Ų | 34.5 | 41% | 0.412 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q167 K168 I169 N174 A175 | Q167-G171 PolarHBondContact O-N 3.47Å; K168-G171 PolarHBondContact O-N 3.09Å; K168-G171 VanDerWaalsContact O-N 3.16Å; I169-G171 VanDerWaalsContact C-N 3.33Å; I169-G171 PolarHBondContact O-N 3.33Å; G171-N174 PolarHBondContact O-N 3.46Å; G171-A175 WeakPolarHBondContact O-CB 3.46Å; G171-A175 PolarHBondContact O-N 3.14Å |
| 172 | Q | 85.4 | Confident | 85.8 | Confident | 56 Ų | 56 | 32.5 Ų | 32.5 | 26% | 0.262 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 177.8 | -70.5 | 171.5 | -3.5 | 0 | 0 | 112.5 | V123 K168 I169 A175 V176 | V123-Q172 HydrophobicContact CB-CB 4.3Å; V123-Q172 HydrophobicContact CG2-CB 3.59Å; K168-Q172 WeakPolarHBondContact O-CG 3.38Å; K168-Q172 PolarHBondContact O-N 3.01Å; I169-Q172 PolarHBondContact O-N 2.76Å; Q172-A175 PolarHBondContact O-N 3.22Å; Q172-V176 WeakPolarHBondContact O-CG2 3.18Å; Q172-V176 PolarHBondContact O-N 3.44Å |
| 173 | V | 87.5 | Confident | 84.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 177.4 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | V123 L131 L143 I169 L170 V176 T177 F225 | V123-V173 HydrophobicContact CG2-CB 4.41Å; V123-V173 HydrophobicContact CG2-CG2 3.44Å; V123-V173 VanDerWaalsContact CG2-CG2 3.44Å; L131-V173 HydrophobicContact CD1-CG1 4.11Å; L143-V173 HydrophobicContact CD1-CG2 4.48Å; L143-V173 HydrophobicContact CD2-CG1 4.42Å; L143-V173 HydrophobicContact CD2-CG2 4.31Å; I169-V173 WeakPolarHBondContact O-CG2 3.32Å; I169-V173 PolarHBondContact O-N 3.42Å; L170-V173 PolarHBondContact O-N 2.77Å; V173-V176 PolarHBondContact O-N 3.35Å; V173-T177 WeakPolarHBondContact O-CB 3.27Å; V173-T177 PolarHBondContact O-N 2.67Å; V173-T177 PolarHBondContact O-OG1 3.01Å; V173-F225 HydrophobicContact CB-CD2 4.32Å; V173-F225 HydrophobicContact CG1-CD2 3.38Å; V173-F225 HydrophobicContact CG1-CE2 3.49Å; V173-F225 VanDerWaalsContact CG1-CE2 3.49Å; V173-F225 HydrophobicContact CG1-CG 4.33Å |
| 174 | N | 88.1 | Confident | 84 | Confident | 34 Ų | 34 | 37.4 Ų | 37.4 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.9 | -31.9 | 178.4 | -73.1 | -22.3 | 0 | 0 | 0 | 112.7 | L170 G171 T177 G178 Y224 F225 | L170-N174 VanDerWaalsContact O-CB 3.31Å; L170-N174 WeakPolarHBondContact O-CB 3.46Å; L170-N174 VanDerWaalsContact O-CG 3.29Å; L170-N174 PolarHBondContact O-N 3.14Å; L170-N174 PolarHBondContact O-ND2 3.3Å; G171-N174 PolarHBondContact O-N 3.46Å; N174-T177 PolarHBondContact O-N 3.38Å; N174-G178 PolarHBondContact O-N 2.92Å; N174-Y224 HydrophobicContact CB-CD1 4.04Å; N174-F225 PolarHBondContact ND2-O 3.16Å; N174-F225 WeakPolarHBondContact OD1-CB 3.43Å; N174-F225 WeakPolarHBondContact OD1-CD2 3.34Å; N174-F225 PolarHBondContact OD1-N 3.49Å |
| 175 | A | 86.6 | Confident | 83.2 | Confident | 59 Ų | 59 | 35.2 Ų | 35.2 | 49% | 0.488 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.7 | -50.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G171 Q172 T177 G178 T179 | G171-A175 WeakPolarHBondContact O-CB 3.46Å; G171-A175 PolarHBondContact O-N 3.14Å; Q172-A175 PolarHBondContact O-N 3.22Å; A175-T177 VanDerWaalsContact C-N 3.3Å; A175-T177 PolarHBondContact O-N 2.95Å; A175-G178 PolarHBondContact O-N 2.93Å; A175-T179 PolarHBondContact O-N 3.19Å; A175-T179 PolarHBondContact O-OG1 2.89Å; A175-T179 VanDerWaalsContact O-OG1 3.08Å |
| 176 | V | 85.1 | Confident | 82.1 | Confident | 24 Ų | 24 | 38 Ų | 38 | 15% | 0.145 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.2 | -43.5 | 176 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | V123 Q128 L131 Q172 V173 T179 L180 | V123-V176 HydrophobicContact CG1-CG2 4.48Å; Q128-V176 HydrophobicContact CB-CG1 4.07Å; Q128-V176 HydrophobicContact CG-CG1 4.15Å; Q128-V176 HydrophobicContact CG-CG2 3.96Å; L131-V176 HydrophobicContact CD1-CG1 4.24Å; Q172-V176 WeakPolarHBondContact O-CG2 3.18Å; Q172-V176 PolarHBondContact O-N 3.44Å; V173-V176 PolarHBondContact O-N 3.35Å; V176-T179 PolarHBondContact O-N 2.93Å; V176-L180 WeakPolarHBondContact O-CG 3.37Å; V176-L180 PolarHBondContact O-N 2.83Å |
| 177 | T | 84.3 | Confident | 80.9 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.037 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66 | -40.2 | 178.2 | -49.2 | 0 | 0 | 0 | 0 | 111.4 | V173 N174 A175 L180 F181 L223 | V173-T177 WeakPolarHBondContact O-CB 3.27Å; V173-T177 PolarHBondContact O-N 2.67Å; V173-T177 PolarHBondContact O-OG1 3.01Å; N174-T177 PolarHBondContact O-N 3.38Å; A175-T177 VanDerWaalsContact C-N 3.3Å; A175-T177 PolarHBondContact O-N 2.95Å; T177-L180 PolarHBondContact O-N 3.4Å; T177-F181 WeakPolarHBondContact O-CB 3.23Å; T177-F181 PolarHBondContact O-N 3.11Å; T177-L223 HydrophobicContact CG2-CD2 4.2Å; T177-L223 HydrophobicContact CG2-CG 4.46Å |
| 178 | G | 82.9 | Confident | 79.9 | Confident | 12 Ų | 12 | 43.6 Ų | 43.6 | 12% | 0.124 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.2 | -35.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N174 A175 F181 T182 | N174-G178 PolarHBondContact O-N 2.92Å; A175-G178 PolarHBondContact O-N 2.93Å; G178-F181 PolarHBondContact O-N 2.68Å; G178-T182 VanDerWaalsContact O-CB 3.29Å; G178-T182 WeakPolarHBondContact O-CB 3.32Å; G178-T182 PolarHBondContact O-N 3.11Å; G178-T182 PolarHBondContact O-OG1 2.85Å |
| 179 | T | 83.4 | Confident | 78.5 | Confident | 100 Ų | 100 | 43.6 Ų | 43.6 | 61% | 0.613 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.6 | -45.3 | 172.5 | -51.8 | 0 | 0 | 0 | 0 | 111.3 | A175 V176 T182 S183 | A175-T179 PolarHBondContact O-N 3.19Å; A175-T179 PolarHBondContact O-OG1 2.89Å; A175-T179 VanDerWaalsContact O-OG1 3.08Å; V176-T179 PolarHBondContact O-N 2.93Å; T179-T182 PolarHBondContact O-N 2.76Å; T179-S183 PolarHBondContact O-N 3.2Å |
| 180 | L | 81 | Confident | 77.2 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 16% | 0.157 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.9 | -41 | 177.8 | -65.7 | 172.5 | 0 | 0 | 0 | 112.3 | R132 W135 V176 T177 K184 | R132-L180 HydrophobicContact CB-CD1 4.31Å; R132-L180 HydrophobicContact CB-CD2 4.12Å; R132-L180 HydrophobicContact CG-CD2 3.9Å; W135-L180 HydrophobicContact CB-CD1 4.17Å; W135-L180 HydrophobicContact CD2-CB 4.23Å; W135-L180 HydrophobicContact CG-CB 4.15Å; W135-L180 HydrophobicContact CG-CD1 4.32Å; W135-L180 PolarHBondContact NE1-O 3.45Å; V176-L180 WeakPolarHBondContact O-CG 3.37Å; V176-L180 PolarHBondContact O-N 2.83Å; T177-L180 PolarHBondContact O-N 3.4Å; L180-K184 PolarHBondContact O-N 3.37Å; L180-K184 VanDerWaalsContact O-N 3.13Å |
| 181 | F | 79.4 | Confident | 75.7 | Confident | 20 Ų | 20 | 49.3 Ų | 49.3 | 9% | 0.088 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -48.6 | 175 | -177.5 | -119.6 | 0 | 0 | 0 | 112.3 | W135 T177 G178 S183 K184 V185 L215 A218 D220 L223 | W135-F181 HydrophobicContact CH2-CB 4.43Å; W135-F181 HydrophobicContact CH2-CD2 4.04Å; W135-F181 HydrophobicContact CZ2-CB 4.48Å; W135-F181 HydrophobicContact CZ2-CD2 4.34Å; T177-F181 WeakPolarHBondContact O-CB 3.23Å; T177-F181 PolarHBondContact O-N 3.11Å; G178-F181 PolarHBondContact O-N 2.68Å; F181-S183 VanDerWaalsContact C-N 3.26Å; F181-S183 PolarHBondContact O-N 2.81Å; F181-K184 PolarHBondContact O-N 2.75Å; F181-K184 VanDerWaalsContact O-N 3.09Å; F181-V185 HydrophobicContact CD1-CG2 4.28Å; F181-V185 HydrophobicContact CD2-CG2 4Å; F181-V185 HydrophobicContact CE1-CG2 3.95Å; F181-V185 HydrophobicContact CE2-CG2 3.64Å; F181-V185 HydrophobicContact CG-CG2 4.32Å; F181-V185 HydrophobicContact CZ-CG2 3.63Å; F181-V185 WeakPolarHBondContact O-CG2 3.5Å; F181-V185 PolarHBondContact O-N 3.17Å; F181-L215 HydrophobicContact CE1-CD2 4.46Å; F181-A218 HydrophobicContact CZ-CB 4.01Å; F181-D220 HydrophobicContact CE1-CB 3.92Å; F181-D220 HydrophobicContact CZ-CB 3.97Å; F181-L223 HydrophobicContact CB-CD2 3.55Å; F181-L223 HydrophobicContact CD1-CD2 4.44Å; F181-L223 HydrophobicContact CD2-CD2 3.5Å; F181-L223 VanDerWaalsContact CD2-CD2 3.5Å; F181-L223 HydrophobicContact CE2-CD2 4.27Å; F181-L223 HydrophobicContact CG-CD2 3.58Å |
| 182 | T | 77.3 | Confident | 74.3 | Confident | 55 Ų | 55 | 52.4 Ų | 52.4 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.6 | -39.3 | 179.1 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | G178 T179 L186 | G178-T182 VanDerWaalsContact O-CB 3.29Å; G178-T182 WeakPolarHBondContact O-CB 3.32Å; G178-T182 PolarHBondContact O-N 3.11Å; G178-T182 PolarHBondContact O-OG1 2.85Å; T179-T182 PolarHBondContact O-N 2.76Å; T182-L186 HydrophobicContact CG2-CD1 3.89Å; T182-L186 HydrophobicContact CG2-CG 4.36Å; T182-L186 WeakPolarHBondContact O-CB 3.33Å; T182-L186 VanDerWaalsContact O-CG 3.22Å; T182-L186 WeakPolarHBondContact O-CG 3.44Å; T182-L186 PolarHBondContact O-N 3.32Å |
| 183 | S | 72.8 | Confident | 73 | Confident | 57 Ų | 57 | 52.5 Ų | 52.5 | 40% | 0.399 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59 | -53 | 171.9 | -152.8 | 0 | 0 | 0 | 0 | 111.5 | T179 F181 V185 L186 E187 | T179-S183 PolarHBondContact O-N 3.2Å; F181-S183 VanDerWaalsContact C-N 3.26Å; F181-S183 PolarHBondContact O-N 2.81Å; S183-V185 PolarHBondContact O-N 2.92Å; S183-L186 PolarHBondContact O-N 2.96Å; S183-E187 WeakPolarHBondContact CB-OE1 3.36Å; S183-E187 WeakPolarHBondContact O-CB 3.25Å; S183-E187 VanDerWaalsContact O-CG 3.23Å; S183-E187 WeakPolarHBondContact O-CG 3.31Å; S183-E187 PolarHBondContact O-N 2.97Å; S183-E187 PolarHBondContact OG-OE1 2.94Å |
| 184 | K | 71.2 | Confident | 71.3 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.5 | -43.3 | 179.3 | -177.8 | 171.9 | 171.2 | 176.5 | 0 | 112.3 | W135 L180 F181 E187 E188 E373 | W135-K184 HydrophobicContact CZ2-CB 4Å; W135-K184 HydrophobicContact CZ2-CD 3.93Å; L180-K184 PolarHBondContact O-N 3.37Å; L180-K184 VanDerWaalsContact O-N 3.13Å; F181-K184 PolarHBondContact O-N 2.75Å; F181-K184 VanDerWaalsContact O-N 3.09Å; K184-E187 PolarHBondContact O-N 2.83Å; K184-E188 WeakPolarHBondContact CE-OE1 3.29Å; K184-E188 HydrophobicContact CG-CG 4.46Å; K184-E188 IonicContact NZ-OE1 3.85Å; K184-E188 WeakPolarHBondContact O-CB 3.44Å; K184-E188 PolarHBondContact O-N 3.4Å; K184-E373 VanDerWaalsContact NZ-CD 3.31Å; K184-E373 IonicContact NZ-OE1 3.92Å; K184-E373 PolarHBondContact NZ-OE1 3.15Å; K184-E373 VanDerWaalsContact NZ-OE1 3.1Å; K184-E373 IonicContact NZ-OE2 3.69Å; K184-E373 PolarHBondContact NZ-OE2 3.02Å |
| 185 | V | 71.4 | Confident | 69.4 | Low | 16 Ų | 16 | 58.7 Ų | 58.7 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.4 | -38.9 | -179.8 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | F181 S183 R189 L215 | F181-V185 HydrophobicContact CD1-CG2 4.28Å; F181-V185 HydrophobicContact CD2-CG2 4Å; F181-V185 HydrophobicContact CE1-CG2 3.95Å; F181-V185 HydrophobicContact CE2-CG2 3.64Å; F181-V185 HydrophobicContact CG-CG2 4.32Å; F181-V185 HydrophobicContact CZ-CG2 3.63Å; F181-V185 WeakPolarHBondContact O-CG2 3.5Å; F181-V185 PolarHBondContact O-N 3.17Å; S183-V185 PolarHBondContact O-N 2.92Å; V185-R189 VanDerWaalsContact O-CB 3.29Å; V185-R189 WeakPolarHBondContact O-CB 3.44Å; V185-R189 VanDerWaalsContact O-CG 3.24Å; V185-R189 WeakPolarHBondContact O-CG 3.25Å; V185-R189 PolarHBondContact O-N 3.5Å; V185-L215 HydrophobicContact CG1-CD2 4.17Å |
| 186 | L | 64.8 | Low | 67.6 | Low | 78 Ų | 78 | 61.7 Ų | 61.7 | 41% | 0.408 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 174 | -71 | 171.8 | 0 | 0 | 0 | 111.9 | T182 S183 R189 A190 W211 | T182-L186 HydrophobicContact CG2-CD1 3.89Å; T182-L186 HydrophobicContact CG2-CG 4.36Å; T182-L186 WeakPolarHBondContact O-CB 3.33Å; T182-L186 VanDerWaalsContact O-CG 3.22Å; T182-L186 WeakPolarHBondContact O-CG 3.44Å; T182-L186 PolarHBondContact O-N 3.32Å; S183-L186 PolarHBondContact O-N 2.96Å; L186-R189 PolarHBondContact O-N 2.87Å; L186-A190 VanDerWaalsContact O-CB 3.29Å; L186-A190 WeakPolarHBondContact O-CB 3.45Å; L186-A190 PolarHBondContact O-N 2.88Å; L186-W211 HydrophobicContact CD2-CE3 3.87Å; L186-W211 HydrophobicContact CD2-CZ3 4.23Å |
| 187 | E | 64.7 | Low | 65.9 | Low | 117 Ų | 117 | 65.2 Ų | 65.2 | 55% | 0.547 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.4 | -49.2 | 175.7 | -73.5 | 163.5 | -133 | 0 | 0 | 111.5 | S183 K184 R189 A190 E191 | S183-E187 WeakPolarHBondContact CB-OE1 3.36Å; S183-E187 WeakPolarHBondContact O-CB 3.25Å; S183-E187 VanDerWaalsContact O-CG 3.23Å; S183-E187 WeakPolarHBondContact O-CG 3.31Å; S183-E187 PolarHBondContact O-N 2.97Å; S183-E187 PolarHBondContact OG-OE1 2.94Å; K184-E187 PolarHBondContact O-N 2.83Å; E187-R189 PolarHBondContact O-N 3.11Å; E187-A190 PolarHBondContact O-N 3.27Å; E187-E191 PolarHBondContact O-N 3.28Å |
| 188 | E | 63.8 | Low | 64.1 | Low | 63 Ų | 63 | 69.9 Ų | 69.9 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 176.3 | -80.9 | -169.2 | -150.7 | 0 | 0 | 113.3 | K184 E191 K192 | K184-E188 WeakPolarHBondContact CE-OE1 3.29Å; K184-E188 HydrophobicContact CG-CG 4.46Å; K184-E188 IonicContact NZ-OE1 3.85Å; K184-E188 WeakPolarHBondContact O-CB 3.44Å; K184-E188 PolarHBondContact O-N 3.4Å; E188-E191 PolarHBondContact O-N 2.95Å; E188-K192 WeakPolarHBondContact O-CB 3.44Å; E188-K192 WeakPolarHBondContact O-CG 3.49Å; E188-K192 PolarHBondContact O-N 3.14Å; E188-K192 IonicContact OE2-NZ 3.38Å; E188-K192 PolarHBondContact OE2-NZ 3.48Å |
| 189 | R | 59 | Low | 62.4 | Low | 91 Ų | 91 | 78.2 Ų | 78.2 | 34% | 0.343 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.5 | -38.8 | 176 | -76.7 | 175.5 | 171.2 | -80.7 | -14 | 110.8 | V185 L186 E187 E191 K192 V193 G214 D217 | V185-R189 VanDerWaalsContact O-CB 3.29Å; V185-R189 WeakPolarHBondContact O-CB 3.44Å; V185-R189 VanDerWaalsContact O-CG 3.24Å; V185-R189 WeakPolarHBondContact O-CG 3.25Å; V185-R189 PolarHBondContact O-N 3.5Å; L186-R189 PolarHBondContact O-N 2.87Å; E187-R189 PolarHBondContact O-N 3.11Å; R189-E191 VanDerWaalsContact C-N 3.29Å; R189-E191 PolarHBondContact O-N 3.06Å; R189-K192 PolarHBondContact O-N 2.94Å; R189-V193 WeakPolarHBondContact O-CB 3.36Å; R189-V193 VanDerWaalsContact O-CG2 3.29Å; R189-V193 WeakPolarHBondContact O-CG2 3.39Å; R189-V193 PolarHBondContact O-N 3.44Å; R189-G214 VanDerWaalsContact CZ-CA 3.43Å; R189-G214 VanDerWaalsContact CZ-O 3.29Å; R189-G214 PolarHBondContact NE-O 3.02Å; R189-G214 VanDerWaalsContact NH2-C 3.32Å; R189-G214 PolarHBondContact NH2-O 3.38Å; R189-D217 IonicContact NH2-OD2 3.77Å |
| 190 | A | 59.7 | Low | 60.5 | Low | 45 Ų | 45 | 80 Ų | 80 | 37% | 0.372 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.6 | -30.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L186 E187 K194 | L186-A190 VanDerWaalsContact O-CB 3.29Å; L186-A190 WeakPolarHBondContact O-CB 3.45Å; L186-A190 PolarHBondContact O-N 2.88Å; E187-A190 PolarHBondContact O-N 3.27Å; A190-K194 VanDerWaalsContact O-CD 3.24Å; A190-K194 WeakPolarHBondContact O-CD 3.08Å; A190-K194 WeakPolarHBondContact O-CG 3.4Å |
| 191 | E | 56.6 | Low | 58.6 | Low | 85 Ų | 85 | 87.8 Ų | 87.8 | 40% | 0.397 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71.1 | -50.8 | 168.6 | -66.5 | -152.3 | 132.4 | 0 | 0 | 112.1 | E187 E188 R189 V193 K194 E195 R385 R781 | E187-E191 PolarHBondContact O-N 3.28Å; E188-E191 PolarHBondContact O-N 2.95Å; R189-E191 VanDerWaalsContact C-N 3.29Å; R189-E191 PolarHBondContact O-N 3.06Å; E191-V193 PolarHBondContact O-N 2.94Å; E191-K194 WeakPolarHBondContact O-CB 3.23Å; E191-K194 PolarHBondContact O-N 3.22Å; E191-E195 PolarHBondContact O-N 2.83Å; E191-E195 VanDerWaalsContact O-N 3.16Å; E191-R385 IonicContact OE1-NH2 3.22Å; E191-R385 PolarHBondContact OE1-NH2 3.47Å; E191-R385 IonicContact OE2-NH2 3.11Å; E191-R781 IonicContact OE1-NH1 3.84Å; E191-R781 PolarHBondContact OE1-NH1 3.43Å; E191-R781 IonicContact OE2-CZ 2.76Å; E191-R781 IonicContact OE2-NH1 3.2Å; E191-R781 PolarHBondContact OE2-NH1 3.08Å |
| 192 | K | 56.3 | Low | 56.6 | Low | 104 Ų | 104 | 94 Ų | 94 | 45% | 0.452 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | -175.2 | -73.6 | 161.2 | 180 | 161.4 | 0 | 112.6 | E188 R189 K194 E195 E196 | E188-K192 WeakPolarHBondContact O-CB 3.44Å; E188-K192 WeakPolarHBondContact O-CG 3.49Å; E188-K192 PolarHBondContact O-N 3.14Å; E188-K192 IonicContact OE2-NZ 3.38Å; E188-K192 PolarHBondContact OE2-NZ 3.48Å; R189-K192 PolarHBondContact O-N 2.94Å; K192-K194 VanDerWaalsContact C-N 3.29Å; K192-K194 PolarHBondContact O-N 3.12Å; K192-E195 PolarHBondContact O-N 3.49Å; K192-E196 PolarHBondContact O-N 3.23Å |
| 193 | V | 56.8 | Low | 55.2 | Low | 58 Ų | 58 | 97.7 Ų | 97.7 | 35% | 0.352 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -36.1 | 176.8 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | R189 E191 E195 E196 V197 | R189-V193 WeakPolarHBondContact O-CB 3.36Å; R189-V193 VanDerWaalsContact O-CG2 3.29Å; R189-V193 WeakPolarHBondContact O-CG2 3.39Å; R189-V193 PolarHBondContact O-N 3.44Å; E191-V193 PolarHBondContact O-N 2.94Å; V193-E195 VanDerWaalsContact C-N 3.35Å; V193-E196 PolarHBondContact O-N 3.26Å; V193-V197 HydrophobicContact CG1-CG2 4.25Å; V193-V197 WeakPolarHBondContact O-CB 3.23Å; V193-V197 VanDerWaalsContact O-CG2 3.27Å; V193-V197 WeakPolarHBondContact O-CG2 3.43Å; V193-V197 PolarHBondContact O-N 2.73Å |
| 194 | K | 51.2 | Low | 53.6 | Low | 85 Ų | 85 | 100.4 Ų | 100.4 | 37% | 0.37 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 173.8 | -70.3 | 171.2 | -174.4 | -177.6 | 0 | 112.2 | A190 E191 K192 N198 E788 | A190-K194 VanDerWaalsContact O-CD 3.24Å; A190-K194 WeakPolarHBondContact O-CD 3.08Å; A190-K194 WeakPolarHBondContact O-CG 3.4Å; E191-K194 WeakPolarHBondContact O-CB 3.23Å; E191-K194 PolarHBondContact O-N 3.22Å; K192-K194 VanDerWaalsContact C-N 3.29Å; K192-K194 PolarHBondContact O-N 3.12Å; K194-N198 WeakPolarHBondContact O-CB 3.49Å; K194-N198 PolarHBondContact O-N 3.32Å; K194-N198 PolarHBondContact O-ND2 3.23Å; K194-E788 IonicContact NZ-OE1 3.04Å; K194-E788 PolarHBondContact NZ-OE1 3.41Å; K194-E788 IonicContact NZ-OE2 3.87Å; K194-E788 PolarHBondContact NZ-OE2 2.97Å |
| 195 | E | 49.6 | Very low | 52 | Low | 79 Ų | 79 | 101 Ų | 101 | 37% | 0.369 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73.4 | -29.2 | 176 | -67.4 | -162 | 135.1 | 0 | 0 | 113.8 | E191 K192 V193 R199 R781 | E191-E195 PolarHBondContact O-N 2.83Å; E191-E195 VanDerWaalsContact O-N 3.16Å; K192-E195 PolarHBondContact O-N 3.49Å; V193-E195 VanDerWaalsContact C-N 3.35Å; E195-R199 WeakPolarHBondContact O-CG 3.4Å; E195-R199 PolarHBondContact O-NE 3.45Å; E195-R781 IonicContact OE1-CZ 2.81Å; E195-R781 IonicContact OE1-NE 2.81Å; E195-R781 PolarHBondContact OE1-NE 3.01Å; E195-R781 IonicContact OE1-NH2 2.65Å; E195-R781 PolarHBondContact OE1-NH2 2.64Å; E195-R781 IonicContact OE2-NH2 2.76Å; E195-R781 PolarHBondContact OE2-NH2 2.78Å |
| 196 | E | 49.2 | Very low | 50.6 | Low | 123 Ų | 123 | 108.2 Ų | 108.2 | 58% | 0.575 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -77.7 | -45.3 | 175.9 | -70.9 | 172.7 | 168.4 | 0 | 0 | 111.4 | K192 V193 N198 R199 D200 | K192-E196 PolarHBondContact O-N 3.23Å; V193-E196 PolarHBondContact O-N 3.26Å; E196-N198 PolarHBondContact O-N 2.9Å; E196-R199 WeakPolarHBondContact O-CB 3.47Å; E196-R199 PolarHBondContact O-N 3.21Å; E196-D200 PolarHBondContact O-N 3.32Å |
| 197 | V | 49.6 | Very low | 49.6 | Very low | 97 Ų | 97 | 111.2 Ų | 111.2 | 59% | 0.588 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.8 | -26.8 | 173.9 | 171.2 | 0 | 0 | 0 | 0 | 112.5 | V193 R199 | V193-V197 HydrophobicContact CG1-CG2 4.25Å; V193-V197 WeakPolarHBondContact O-CB 3.23Å; V193-V197 VanDerWaalsContact O-CG2 3.27Å; V193-V197 WeakPolarHBondContact O-CG2 3.43Å; V193-V197 PolarHBondContact O-N 2.73Å; V197-R199 VanDerWaalsContact C-N 3.26Å; V197-R199 PolarHBondContact O-N 3.25Å |
| 198 | N | 46.5 | Very low | 48.5 | Very low | 104 Ų | 104 | 112.2 Ų | 112.2 | 56% | 0.556 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -11.1 | 172.2 | -96.3 | -33.2 | 0 | 0 | 0 | 114.1 | K194 E196 E784 | K194-N198 WeakPolarHBondContact O-CB 3.49Å; K194-N198 PolarHBondContact O-N 3.32Å; K194-N198 PolarHBondContact O-ND2 3.23Å; E196-N198 PolarHBondContact O-N 2.9Å; N198-E784 PolarHBondContact ND2-OE1 3.11Å |
| 199 | R | 47 | Very low | 47.8 | Very low | 188 Ų | 188 | 116.4 Ų | 116.4 | 71% | 0.709 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -46.9 | 179.6 | -65.7 | 174.3 | -164.1 | -161.2 | 3.8 | 112.5 | E195 E196 V197 | E195-R199 WeakPolarHBondContact O-CG 3.4Å; E195-R199 PolarHBondContact O-NE 3.45Å; E196-R199 WeakPolarHBondContact O-CB 3.47Å; E196-R199 PolarHBondContact O-N 3.21Å; V197-R199 VanDerWaalsContact C-N 3.26Å; V197-R199 PolarHBondContact O-N 3.25Å |
| 200 | D | 42.4 | Very low | 47.1 | Very low | 136 Ų | 136 | 117 Ų | 117 | 73% | 0.727 | 62% | 0.616 | S | S | * | * | trans | -93 | 117.3 | -175.5 | -71.5 | -30.6 | 0 | 0 | 0 | 112.3 | E196 | E196-D200 PolarHBondContact O-N 3.32Š| ||
| 201 | K | 41.3 | Very low | 46.6 | Very low | 194 Ų | 194 | 122.7 Ų | 122.7 | 84% | 0.843 | 63% | 0.628 | S | S | * | * | trans | -100.2 | 15.4 | -174.2 | -88.7 | -170.8 | 173.9 | -178.4 | 0 | 115.5 | P203 | K201-P203 WeakPolarHBondContact O-CD 3.44Š| ||
| 202 | D | 38.6 | Very low | 46.1 | Very low | 150 Ų | 150 | 122.2 Ų | 122.2 | 80% | 0.802 | 63% | 0.634 | S | S | * | * | trans | -110 | 104.2 | -178.9 | -81.6 | -46.8 | 0 | 0 | 0 | 112.6 | S204 | D202-S204 PolarHBondContact O-N 3.17Å; D202-S204 VanDerWaalsContact O-N 3.14Å | ||
| 203 | P | 47.8 | Very low | 45.9 | Very low | 133 Ų | 133 | 119.8 Ų | 119.8 | 86% | 0.864 | 63% | 0.633 | S | S | * | * | trans | -87.9 | 74.3 | -177.2 | 35.4 | -35.4 | 0 | 0 | 0 | 112 | K201 | K201-P203 WeakPolarHBondContact O-CD 3.44Š| ||
| 204 | S | 37.8 | Very low | 45.4 | Very low | 115 Ų | 115 | 117.2 Ų | 117.2 | 80% | 0.804 | 62% | 0.619 | S | S | * | * | trans | -140.1 | 66.3 | 176.5 | 70.2 | 0 | 0 | 0 | 0 | 114.1 | D202 | D202-S204 PolarHBondContact O-N 3.17Å; D202-S204 VanDerWaalsContact O-N 3.14Å | ||
| 205 | G | 37.8 | Very low | 45.5 | Very low | 59 Ų | 59 | 116.6 Ų | 116.6 | 61% | 0.608 | 62% | 0.619 | S | S | * | * | trans | -171.6 | 101.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q207 | G205-Q207 PolarHBondContact O-N 2.6Š| ||
| 206 | D | 43 | Very low | 45.7 | Very low | 169 Ų | 169 | 120.9 Ų | 120.9 | 90% | 0.904 | 64% | 0.639 | S | S | * | * | trans | -77.7 | 71.5 | 176.6 | -164.4 | 20.2 | 0 | 0 | 0 | 109.9 | V208 | D206-V208 PolarHBondContact O-N 3.25Š| ||
| 207 | Q | 44 | Very low | 45.9 | Very low | 140 Ų | 140 | 121.5 Ų | 121.5 | 65% | 0.654 | 65% | 0.646 | S | S | * | * | trans | -82.7 | 113.8 | 179.1 | -67.2 | -169 | 9.1 | 0 | 0 | 109.9 | G205 Y209 | G205-Q207 PolarHBondContact O-N 2.6Å; Q207-Y209 VanDerWaalsContact O-CD2 3.23Å; Q207-Y209 WeakPolarHBondContact O-CD2 3.34Å; Q207-Y209 PolarHBondContact O-N 3.21Å | ||
| 208 | V | 40.5 | Very low | 46.4 | Very low | 139 Ų | 139 | 118.5 Ų | 118.5 | 84% | 0.842 | 63% | 0.631 | S | S | * | * | trans | -67.6 | 100.8 | 169.1 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | D206 D210 | D206-V208 PolarHBondContact O-N 3.25Å; V208-D210 PolarHBondContact O-N 2.83Å; V208-D210 VanDerWaalsContact O-N 3.09Å | ||
| 209 | Y | 49.9 | Very low | 47 | Very low | 150 Ų | 150 | 119.4 Ų | 119.4 | 59% | 0.588 | 64% | 0.636 | S | S | * | * | trans | -62 | 108.8 | -179.1 | -71.3 | -88.4 | 0 | 0 | 0 | 111.4 | Q207 W211 | Q207-Y209 VanDerWaalsContact O-CD2 3.23Å; Q207-Y209 WeakPolarHBondContact O-CD2 3.34Å; Q207-Y209 PolarHBondContact O-N 3.21Å; Y209-W211 VanDerWaalsContact O-CD1 3.26Å; Y209-W211 PolarHBondContact O-N 2.92Å | ||
| 210 | D | 44.1 | Very low | 47.8 | Very low | 104 Ų | 104 | 113.3 Ų | 113.3 | 56% | 0.556 | 62% | 0.618 | S | S | * | * | trans | -81.4 | 98.8 | 172.1 | -172.9 | 1.7 | 0 | 0 | 0 | 110.4 | V208 S212 A213 | V208-D210 PolarHBondContact O-N 2.83Å; V208-D210 VanDerWaalsContact O-N 3.09Å; D210-S212 PolarHBondContact O-N 2.93Å; D210-S212 VanDerWaalsContact O-N 3.16Å; D210-S212 WeakPolarHBondContact OD1-CB 3.5Å; D210-S212 PolarHBondContact OD1-N 3.14Å; D210-S212 PolarHBondContact OD1-OG 3.02Å; D210-A213 HydrophobicContact CB-CB 4.46Å; D210-A213 PolarHBondContact O-N 3.3Å | ||
| 211 | W | 47.9 | Very low | 48.9 | Very low | 165 Ų | 165 | 109.1 Ų | 109.1 | 63% | 0.625 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -62.1 | -16.7 | 176.5 | -61.5 | 88.7 | 0 | 0 | 0 | 113.5 | L186 Y209 | L186-W211 HydrophobicContact CD2-CE3 3.87Å; L186-W211 HydrophobicContact CD2-CZ3 4.23Å; Y209-W211 VanDerWaalsContact O-CD1 3.26Å; Y209-W211 PolarHBondContact O-N 2.92Å |
| 212 | S | 46.3 | Very low | 50 | Low | 74 Ų | 74 | 105.4 Ų | 105.4 | 52% | 0.517 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -74.1 | -47.1 | 179.9 | -31.1 | 0 | 0 | 0 | 0 | 111.8 | D210 G214 L215 | D210-S212 PolarHBondContact O-N 2.93Å; D210-S212 VanDerWaalsContact O-N 3.16Å; D210-S212 WeakPolarHBondContact OD1-CB 3.5Å; D210-S212 PolarHBondContact OD1-N 3.14Å; D210-S212 PolarHBondContact OD1-OG 3.02Å; S212-G214 PolarHBondContact O-N 3.28Å; S212-L215 PolarHBondContact O-N 2.96Å; S212-L215 VanDerWaalsContact O-N 3.09Å |
| 213 | A | 52.1 | Low | 51.5 | Low | 53 Ų | 53 | 100 Ų | 100 | 44% | 0.438 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.1 | -24.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D210 | D210-A213 HydrophobicContact CB-CB 4.46Å; D210-A213 PolarHBondContact O-N 3.3Å |
| 214 | G | 46.4 | Very low | 53.2 | Low | 5 Ų | 5 | 96.7 Ų | 96.7 | 5% | 0.052 | 53% | 0.526 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 0.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | R189 S212 E216 | R189-G214 VanDerWaalsContact CZ-CA 3.43Å; R189-G214 VanDerWaalsContact CZ-O 3.29Å; R189-G214 PolarHBondContact NE-O 3.02Å; R189-G214 VanDerWaalsContact NH2-C 3.32Å; R189-G214 PolarHBondContact NH2-O 3.38Å; S212-G214 PolarHBondContact O-N 3.28Å; G214-E216 VanDerWaalsContact C-N 3.27Å |
| 215 | L | 53.4 | Low | 55.4 | Low | 71 Ų | 71 | 91.3 Ų | 91.3 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -22.5 | 161.7 | -80.9 | 155.6 | 0 | 0 | 0 | 110.7 | F181 V185 S212 | F181-L215 HydrophobicContact CE1-CD2 4.46Å; V185-L215 HydrophobicContact CG1-CD2 4.17Å; S212-L215 PolarHBondContact O-N 2.96Å; S212-L215 VanDerWaalsContact O-N 3.09Å |
| 216 | E | 53.2 | Low | 57.6 | Low | 170 Ų | 170 | 90.2 Ų | 90.2 | 79% | 0.794 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -22 | 179.7 | -52.3 | -168.2 | 167.3 | 0 | 0 | 113.5 | G214 | G214-E216 VanDerWaalsContact C-N 3.27Š|
| 217 | D | 53.9 | Low | 59.6 | Low | 135 Ų | 135 | 82.3 Ų | 82.3 | 72% | 0.722 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -16.6 | 178.3 | -71.6 | -44.7 | 0 | 0 | 0 | 114.4 | R189 | R189-D217 IonicContact NH2-OD2 3.77Š|
| 218 | A | 59.6 | Low | 61.2 | Low | 34 Ų | 34 | 78.1 Ų | 78.1 | 28% | 0.281 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -96 | 122.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F181 D220 | F181-A218 HydrophobicContact CZ-CB 4.01Å; A218-D220 PolarHBondContact O-N 3.46Å |
| 219 | D | 60.3 | Low | 63.1 | Low | 123 Ų | 123 | 74.6 Ų | 74.6 | 66% | 0.658 | 39% | 0.386 | S | S | * | . | trans | -69.8 | 90.2 | 178.7 | -174.3 | 3.9 | 0 | 0 | 0 | 111.9 | S221 | D219-S221 VanDerWaalsContact C-N 3.29Å; D219-S221 WeakPolarHBondContact OD1-CB 3.4Å; D219-S221 PolarHBondContact OD1-N 2.74Å; D219-S221 PolarHBondContact OD1-OG 3.29Å | ||
| 220 | D | 64.3 | Low | 64.6 | Low | 61 Ų | 61 | 67.4 Ų | 67.4 | 33% | 0.326 | 36% | 0.358 | S | S | . | . | trans | -82.7 | -2.8 | 175.1 | 70.3 | 9.6 | 0 | 0 | 0 | 113.4 | F181 A218 H222 L223 Y224 | F181-D220 HydrophobicContact CE1-CB 3.92Å; F181-D220 HydrophobicContact CZ-CB 3.97Å; A218-D220 PolarHBondContact O-N 3.46Å; D220-H222 PolarHBondContact O-N 3.46Å; D220-L223 VanDerWaalsContact O-CB 3.25Å; D220-L223 WeakPolarHBondContact O-CB 3.3Å; D220-L223 PolarHBondContact O-N 2.6Å; D220-Y224 HydrophobicContact CB-CD2 4.42Å; D220-Y224 HydrophobicContact CB-CE2 3.8Å; D220-Y224 WeakPolarHBondContact OD2-CE2 3.45Å | ||
| 221 | S | 64 | Low | 66.7 | Low | 48 Ų | 48 | 63 Ų | 63 | 34% | 0.336 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.5 | -164.7 | 74 | 0 | 0 | 0 | 0 | 113.3 | D219 Q229 | D219-S221 VanDerWaalsContact C-N 3.29Å; D219-S221 WeakPolarHBondContact OD1-CB 3.4Å; D219-S221 PolarHBondContact OD1-N 2.74Å; D219-S221 PolarHBondContact OD1-OG 3.29Å; S221-Q229 PolarHBondContact O-NE2 3.11Å; S221-Q229 PolarHBondContact O-OE1 2.83Å |
| 222 | H | 64.7 | Low | 68.8 | Low | 115 Ų | 115 | 55.1 Ų | 55.1 | 53% | 0.532 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -3.7 | 179 | -78.5 | 6.1 | 0 | 0 | 0 | 114.6 | R140 D220 | R140-H222 PolarHBondContact NH2-CD2 2.93Å; R140-H222 VanDerWaalsContact NH2-CG 3.34Å; D220-H222 PolarHBondContact O-N 3.46Å |
| 223 | L | 71.1 | Confident | 71.1 | Confident | 38 Ų | 38 | 51.6 Ų | 51.6 | 20% | 0.199 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -46.8 | -171.9 | -128.4 | 85 | 0 | 0 | 0 | 113.5 | W135 T177 F181 D220 | W135-L223 HydrophobicContact CH2-CD1 3.8Å; W135-L223 HydrophobicContact CH2-CD2 3.64Å; W135-L223 HydrophobicContact CH2-CG 4.07Å; W135-L223 HydrophobicContact CZ3-CD1 3.73Å; W135-L223 HydrophobicContact CZ3-CD2 3.76Å; W135-L223 HydrophobicContact CZ3-CG 3.83Å; T177-L223 HydrophobicContact CG2-CD2 4.2Å; T177-L223 HydrophobicContact CG2-CG 4.46Å; F181-L223 HydrophobicContact CB-CD2 3.55Å; F181-L223 HydrophobicContact CD1-CD2 4.44Å; F181-L223 HydrophobicContact CD2-CD2 3.5Å; F181-L223 VanDerWaalsContact CD2-CD2 3.5Å; F181-L223 HydrophobicContact CE2-CD2 4.27Å; F181-L223 HydrophobicContact CG-CD2 3.58Å; D220-L223 VanDerWaalsContact O-CB 3.25Å; D220-L223 WeakPolarHBondContact O-CB 3.3Å; D220-L223 PolarHBondContact O-N 2.6Å |
| 224 | Y | 83 | Confident | 73.1 | Confident | 63 Ų | 63 | 49 Ų | 49 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -79.9 | 141.7 | -170.4 | -62.9 | -69.1 | 0 | 0 | 0 | 113.3 | N174 D220 S226 N231 | N174-Y224 HydrophobicContact CB-CD1 4.04Å; D220-Y224 HydrophobicContact CB-CD2 4.42Å; D220-Y224 HydrophobicContact CB-CE2 3.8Å; D220-Y224 WeakPolarHBondContact OD2-CE2 3.45Å; Y224-S226 PolarHBondContact O-N 3.39Å; Y224-N231 PolarHBondContact O-ND2 2.66Å |
| 225 | F | 84.4 | Confident | 75.4 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | trans | -75.5 | 108.9 | 175.4 | -57.3 | -73.7 | 0 | 0 | 0 | 110 | L131 P141 L143 L170 V173 N174 V232 | L131-F225 HydrophobicContact CD2-CE2 4.36Å; L131-F225 HydrophobicContact CD2-CZ 4.25Å; P141-F225 HydrophobicContact CB-CE1 4.23Å; P141-F225 HydrophobicContact CB-CZ 3.87Å; P141-F225 HydrophobicContact CG-CE1 4.2Å; P141-F225 HydrophobicContact CG-CZ 3.72Å; L143-F225 HydrophobicContact CB-CB 4.37Å; L143-F225 HydrophobicContact CB-CD1 3.43Å; L143-F225 VanDerWaalsContact CB-CD1 3.43Å; L143-F225 HydrophobicContact CB-CE1 3.84Å; L143-F225 HydrophobicContact CB-CG 3.94Å; L143-F225 HydrophobicContact CD2-CB 3.87Å; L143-F225 HydrophobicContact CD2-CD1 4.37Å; L143-F225 HydrophobicContact CD2-CG 4.01Å; L170-F225 HydrophobicContact CD2-CB 4.17Å; V173-F225 HydrophobicContact CB-CD2 4.32Å; V173-F225 HydrophobicContact CG1-CD2 3.38Å; V173-F225 HydrophobicContact CG1-CE2 3.49Å; V173-F225 VanDerWaalsContact CG1-CE2 3.49Å; V173-F225 HydrophobicContact CG1-CG 4.33Å; N174-F225 PolarHBondContact ND2-O 3.16Å; N174-F225 WeakPolarHBondContact OD1-CB 3.43Å; N174-F225 WeakPolarHBondContact OD1-CD2 3.34Å; N174-F225 PolarHBondContact OD1-N 3.49Å; F225-V232 HydrophobicContact CB-CG2 3.92Å | ||
| 226 | S | 83.8 | Confident | 77.2 | Confident | 36 Ų | 36 | 45.4 Ų | 45.4 | 25% | 0.252 | 24% | 0.238 | S | C | . | . | trans | -136.2 | 109.2 | -173.4 | -73.1 | 0 | 0 | 0 | 0 | 109.6 | Y224 D228 Q229 N231 | Y224-S226 PolarHBondContact O-N 3.39Å; S226-D228 PolarHBondContact O-N 3.4Å; S226-D228 VanDerWaalsContact O-N 3.07Å; S226-Q229 WeakPolarHBondContact O-CB 3.35Å; S226-Q229 PolarHBondContact O-N 3.23Å; S226-N231 PolarHBondContact N-OD1 2.89Å; S226-N231 PolarHBondContact O-OD1 3.08Å | ||
| 227 | P | 85.1 | Confident | 78.9 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.013 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -54.5 | -30.3 | -177.4 | -29.5 | 37 | 0 | 0 | 0 | 115.1 | L170 Q229 G230 V232 F234 I245 W268 | L170-P227 HydrophobicContact CD1-CG 3.68Å; P227-Q229 VanDerWaalsContact C-N 3.27Å; P227-Q229 PolarHBondContact O-N 2.81Å; P227-G230 PolarHBondContact O-N 3.15Å; P227-G230 VanDerWaalsContact O-N 3.11Å; P227-V232 HydrophobicContact CB-CB 4.31Å; P227-V232 HydrophobicContact CG-CB 3.92Å; P227-V232 HydrophobicContact CG-CG1 4.2Å; P227-V232 HydrophobicContact CG-CG2 3.99Å; P227-F234 HydrophobicContact CB-CE2 4.2Å; P227-F234 HydrophobicContact CB-CZ 4.45Å; P227-F234 HydrophobicContact CG-CE2 4.23Å; P227-F234 HydrophobicContact CG-CZ 4Å; P227-I245 HydrophobicContact CB-CD1 3.37Å; P227-I245 HydrophobicContact CB-CG1 4.06Å; P227-W268 HydrophobicContact CB-CD2 3.93Å; P227-W268 HydrophobicContact CB-CE3 4.14Å; P227-W268 HydrophobicContact CB-CG 4.12Å; P227-W268 HydrophobicContact CG-CD2 3.87Å; P227-W268 HydrophobicContact CG-CE3 4.19Å; P227-W268 HydrophobicContact CG-CG 4.34Å; P227-W268 HydrophobicContact CG-CH2 4.33Å; P227-W268 HydrophobicContact CG-CZ2 3.99Å; P227-W268 HydrophobicContact CG-CZ3 4.4Å |
| 228 | D | 78.3 | Confident | 80.4 | Confident | 52 Ų | 52 | 35.1 Ų | 35.1 | 28% | 0.278 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -58.7 | -33.5 | 172.6 | -58.5 | -88.7 | 0 | 0 | 0 | 113.7 | S226 G230 L264 W268 | S226-D228 PolarHBondContact O-N 3.4Å; S226-D228 VanDerWaalsContact O-N 3.07Å; D228-G230 VanDerWaalsContact C-N 3.33Å; D228-L264 VanDerWaalsContact OD1-O 3.06Å; D228-W268 VanDerWaalsContact OD2-CD1 3.25Å |
| 229 | Q | 80 | Confident | 81.7 | Confident | 65 Ų | 65 | 33.7 Ų | 33.7 | 30% | 0.304 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -77.4 | -19.9 | 177.5 | -61 | -170 | 12 | 0 | 0 | 112.6 | S221 S226 P227 K363 | S221-Q229 PolarHBondContact O-NE2 3.11Å; S221-Q229 PolarHBondContact O-OE1 2.83Å; S226-Q229 WeakPolarHBondContact O-CB 3.35Å; S226-Q229 PolarHBondContact O-N 3.23Å; P227-Q229 VanDerWaalsContact C-N 3.27Å; P227-Q229 PolarHBondContact O-N 2.81Å; Q229-K363 WeakPolarHBondContact O-CE 3.33Å; Q229-K363 PolarHBondContact O-NZ 3.18Å |
| 230 | G | 81.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 12.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | P227 D228 V232 | P227-G230 PolarHBondContact O-N 3.15Å; P227-G230 VanDerWaalsContact O-N 3.11Å; D228-G230 VanDerWaalsContact C-N 3.33Å; G230-V232 VanDerWaalsContact C-N 3.28Å |
| 231 | N | 88.1 | Confident | 84.1 | Confident | 10 Ų | 10 | 25.2 Ų | 25.2 | 5% | 0.053 | 13% | 0.13 | C | C | . | . | trans | -88.5 | 11.8 | 172.1 | 69 | -7.6 | 0 | 0 | 0 | 113.7 | L143 Y224 S226 M359 | L143-N231 PolarHBondContact N-O 3.36Å; L143-N231 VanDerWaalsContact N-O 3.09Å; Y224-N231 PolarHBondContact O-ND2 2.66Å; S226-N231 PolarHBondContact N-OD1 2.89Å; S226-N231 PolarHBondContact O-OD1 3.08Å; N231-M359 WeakPolarHBondContact O-CE 3.41Å | ||
| 232 | V | 91.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132.3 | 172 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | L143 I145 L170 F225 P227 G230 F234 M359 | L143-V232 HydrophobicContact CB-CG2 4.46Å; L143-V232 HydrophobicContact CD2-CG1 4.36Å; L143-V232 HydrophobicContact CD2-CG2 4.34Å; L143-V232 WeakPolarHBondContact O-CA 3.4Å; I145-V232 HydrophobicContact CD1-CG1 4.22Å; L170-V232 HydrophobicContact CD2-CG1 4.1Å; L170-V232 HydrophobicContact CD2-CG2 3.82Å; F225-V232 HydrophobicContact CB-CG2 3.92Å; P227-V232 HydrophobicContact CB-CB 4.31Å; P227-V232 HydrophobicContact CG-CB 3.92Å; P227-V232 HydrophobicContact CG-CG1 4.2Å; P227-V232 HydrophobicContact CG-CG2 3.99Å; G230-V232 VanDerWaalsContact C-N 3.28Å; V232-F234 HydrophobicContact CG1-CE1 4.4Å; V232-F234 HydrophobicContact CG1-CE2 4.37Å; V232-F234 HydrophobicContact CG1-CZ 4.13Å; V232-M359 VanDerWaalsContact CA-CE 3.46Å; V232-M359 VanDerWaalsContact N-CE 3.31Å |
| 233 | V | 93.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.8 | 171.7 | 152.7 | 0 | 0 | 0 | 0 | 109.5 | L143 V144 I145 A235 A355 V356 M359 | L143-V233 PolarHBondContact O-N 2.82Å; V144-V233 WeakPolarHBondContact CA-O 3.34Å; V144-V233 HydrophobicContact CG1-CG1 4.36Å; V144-V233 HydrophobicContact CG2-CB 4.35Å; V144-V233 HydrophobicContact CG2-CG1 4.47Å; I145-V233 PolarHBondContact N-O 2.99Å; V233-A235 HydrophobicContact CG1-CB 4.47Å; V233-A355 HydrophobicContact CG1-CB 4.36Å; V233-A355 HydrophobicContact CG2-CB 4.26Å; V233-V356 HydrophobicContact CG1-CG2 4.09Å; V233-M359 HydrophobicContact CB-CE 3.73Å; V233-M359 HydrophobicContact CB-SD 3.84Å; V233-M359 HydrophobicContact CG2-CB 4.38Å; V233-M359 HydrophobicContact CG2-CE 3.6Å; V233-M359 HydrophobicContact CG2-CG 4.42Å; V233-M359 HydrophobicContact CG2-SD 3.47Å; V233-M359 WeakPolarHBondContact CG2-SD 3.46Å |
| 234 | F | 94.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.1 | 177.5 | -64 | -75.7 | 0 | 0 | 0 | 109.1 | I145 M148 L166 L170 P227 V232 G242 F243 W268 F293 | I145-F234 HydrophobicContact CB-CD1 4.29Å; I145-F234 HydrophobicContact CD1-CD1 4.4Å; I145-F234 HydrophobicContact CD1-CE1 3.94Å; M148-F234 HydrophobicContact SD-CB 3.71Å; M148-F234 HydrophobicContact SD-CD1 4.13Å; M148-F234 HydrophobicContact SD-CG 4.32Å; L166-F234 HydrophobicContact CB-CE1 4.33Å; L166-F234 HydrophobicContact CD1-CD1 4.1Å; L166-F234 HydrophobicContact CD1-CE1 3.94Å; L166-F234 HydrophobicContact CD2-CD1 4.15Å; L166-F234 HydrophobicContact CD2-CE1 4.02Å; L166-F234 HydrophobicContact CG-CE1 4.32Å; L170-F234 HydrophobicContact CD1-CZ 4.43Å; P227-F234 HydrophobicContact CB-CE2 4.2Å; P227-F234 HydrophobicContact CB-CZ 4.45Å; P227-F234 HydrophobicContact CG-CE2 4.23Å; P227-F234 HydrophobicContact CG-CZ 4Å; V232-F234 HydrophobicContact CG1-CE1 4.4Å; V232-F234 HydrophobicContact CG1-CE2 4.37Å; V232-F234 HydrophobicContact CG1-CZ 4.13Å; F234-G242 CarbonylContact O-C 3.53Å; F234-G242 WeakPolarHBondContact O-CA 3.45Å; F234-F243 HydrophobicContact CB-CD1 4.46Å; F234-F243 HydrophobicContact CB-CD2 4.31Å; F234-F243 HydrophobicContact CB-CE1 4Å; F234-F243 HydrophobicContact CB-CE2 3.82Å; F234-F243 HydrophobicContact CB-CZ 3.65Å; F234-F243 HydrophobicContact CD2-CD2 4.3Å; F234-F243 AromaticContact CD2-CE2 3.66Å; F234-F243 HydrophobicContact CD2-CE2 3.66Å; F234-F243 HydrophobicContact CD2-CZ 4.18Å; F234-F243 HydrophobicContact CG-CE2 4.09Å; F234-F243 HydrophobicContact CG-CZ 4.17Å; F234-F243 PolarHBondContact N-O 3.39Å; F234-F243 PolarHBondContact O-N 3.14Å; F234-W268 HydrophobicContact CE1-CH2 4.43Å; F234-W268 HydrophobicContact CE1-CZ3 4.5Å; F234-W268 HydrophobicContact CE2-CZ3 4.09Å; F234-W268 HydrophobicContact CZ-CE3 4.44Å; F234-W268 AromaticContact CZ-CH2 3.77Å; F234-W268 HydrophobicContact CZ-CH2 3.77Å; F234-W268 AromaticContact CZ-CZ3 3.6Å; F234-W268 HydrophobicContact CZ-CZ3 3.6Å; F234-F293 HydrophobicContact CD2-CZ 4.1Å; F234-F293 HydrophobicContact CE2-CE2 4.36Å; F234-F293 AromaticContact CE2-CZ 3.93Å; F234-F293 HydrophobicContact CE2-CZ 3.93Å; F234-F293 HydrophobicContact CZ-CZ 4.39Å |
| 235 | A | 93.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 155.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V144 I145 N146 K147 M148 V233 W241 V352 | V144-A235 HydrophobicContact CG1-CB 4.11Å; I145-A235 PolarHBondContact O-N 3.07Å; N146-A235 CarbonylContact C-O 3.55Å; N146-A235 WeakPolarHBondContact CA-O 3.49Å; K147-A235 PolarHBondContact N-O 3.38Å; M148-A235 PolarHBondContact N-O 3.46Å; M148-A235 VanDerWaalsContact N-O 3.15Å; V233-A235 HydrophobicContact CG1-CB 4.47Å; A235-W241 WeakPolarHBondContact CA-O 3.37Å; A235-V352 HydrophobicContact CB-CG2 3.98Å |
| 236 | S | 92.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 102.9 | 152.8 | 175.5 | 0 | 0 | 0 | 0 | 108.2 | D149 I238 D239 G240 W241 | D149-S236 VanDerWaalsContact CG-OG 3.27Å; D149-S236 VanDerWaalsContact OD1-CB 3.24Å; D149-S236 WeakPolarHBondContact OD1-CB 3.22Å; D149-S236 PolarHBondContact OD1-OG 3.19Å; S236-I238 PolarHBondContact O-N 2.75Å; S236-D239 PolarHBondContact OG-N 3.31Å; S236-G240 PolarHBondContact O-N 2.93Å; S236-W241 CarbonylContact C-O 2.98Å; S236-W241 PolarHBondContact N-O 2.04Å; S236-W241 PolarHBondContact O-N 2.94Å; S236-W241 VanDerWaalsContact O-N 3.16Å |
| 237 | A | 87.6 | Confident | 88 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.008 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L35 N146 | L35-A237 HydrophobicContact CB-CB 4.14Å; N146-A237 PolarHBondContact OD1-N 2.69Å |
| 238 | I | 86.6 | Confident | 88.2 | Confident | 88 Ų | 88 | 16.3 Ų | 16.3 | 45% | 0.451 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -47.7 | -178.6 | -60 | 175.4 | 0 | 0 | 0 | 111.1 | S236 G240 | S236-I238 PolarHBondContact O-N 2.75Å; I238-G240 VanDerWaalsContact C-N 3.27Å |
| 239 | D | 86.4 | Confident | 88.6 | Confident | 4 Ų | 4 | 13.8 Ų | 13.8 | 2% | 0.021 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 5.2 | 176.8 | -68.7 | -33.8 | 0 | 0 | 0 | 112.5 | D149 S236 W241 Y305 L342 C346 | D149-D239 WeakPolarHBondContact CB-OD2 3.42Å; S236-D239 PolarHBondContact OG-N 3.31Å; D239-W241 PolarHBondContact O-N 2.9Å; D239-Y305 WeakPolarHBondContact CB-OH 3.38Å; D239-Y305 WeakPolarHBondContact OD2-CE1 3.37Å; D239-Y305 PolarHBondContact OD2-OH 2.61Å; D239-L342 HydrophobicContact CB-CD2 4.25Å; D239-C346 WeakPolarHBondContact O-CB 3.17Å |
| 240 | G | 84.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 8.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | S236 I238 V352 | S236-G240 PolarHBondContact O-N 2.93Å; I238-G240 VanDerWaalsContact C-N 3.27Å; G240-V352 PolarHBondContact O-N 2.91Å |
| 241 | W | 91.1 | Very high | 89.1 | Confident | 5 Ų | 5 | 17.9 Ų | 17.9 | 2% | 0.019 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 151.3 | -178.2 | 61 | -88.5 | 0 | 0 | 0 | 114.2 | M148 A235 S236 D239 F243 I301 Y305 C346 L350 | M148-W241 HydrophobicContact CB-CH2 3.6Å; M148-W241 HydrophobicContact CB-CZ2 4.09Å; M148-W241 HydrophobicContact CE-CH2 4.33Å; M148-W241 HydrophobicContact CG-CH2 4.32Å; M148-W241 HydrophobicContact SD-CH2 3.94Å; M148-W241 HydrophobicContact SD-CZ3 4.25Å; A235-W241 WeakPolarHBondContact CA-O 3.37Å; S236-W241 CarbonylContact C-O 2.98Å; S236-W241 PolarHBondContact N-O 2.04Å; S236-W241 PolarHBondContact O-N 2.94Å; S236-W241 VanDerWaalsContact O-N 3.16Å; D239-W241 PolarHBondContact O-N 2.9Å; W241-F243 HydrophobicContact CE3-CD1 4.05Å; W241-F243 HydrophobicContact CE3-CE1 4.21Å; W241-F243 AromaticContact CZ3-CD1 3.9Å; W241-F243 HydrophobicContact CZ3-CD1 3.9Å; W241-F243 AromaticContact CZ3-CE1 3.6Å; W241-F243 HydrophobicContact CZ3-CE1 3.6Å; W241-I301 HydrophobicContact CH2-CD1 4.47Å; W241-I301 HydrophobicContact CH2-CG2 4.38Å; W241-I301 HydrophobicContact CZ2-CG2 4.17Å; W241-I301 HydrophobicContact CZ3-CD1 4.35Å; W241-Y305 HydrophobicContact CZ2-CE2 4.21Å; W241-Y305 AromaticContact NE1-CE2 3.85Å; W241-Y305 AromaticContact NE1-CZ 3.81Å; W241-Y305 PolarHBondContact NE1-OH 3Å; W241-C346 HydrophobicContact CB-CB 3.87Å; W241-C346 HydrophobicContact CG-CB 4.2Å; W241-L350 CarbonylContact C-O 3.56Å; W241-L350 WeakPolarHBondContact CA-O 3.29Å; W241-L350 HydrophobicContact CB-CB 4.25Å |
| 242 | G | 91.9 | Very high | 88.9 | Confident | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 152.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F234 L350 A355 | F234-G242 CarbonylContact O-C 3.53Å; F234-G242 WeakPolarHBondContact O-CA 3.45Å; G242-L350 PolarHBondContact N-O 2.94Å; G242-A355 WeakPolarHBondContact O-CB 3.25Å |
| 243 | F | 92.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 148.6 | -176.1 | 64.1 | -97.4 | 0 | 0 | 0 | 112.7 | F234 W241 F248 F293 V297 I301 L350 | F234-F243 HydrophobicContact CB-CD1 4.46Å; F234-F243 HydrophobicContact CB-CD2 4.31Å; F234-F243 HydrophobicContact CB-CE1 4Å; F234-F243 HydrophobicContact CB-CE2 3.82Å; F234-F243 HydrophobicContact CB-CZ 3.65Å; F234-F243 HydrophobicContact CD2-CD2 4.3Å; F234-F243 AromaticContact CD2-CE2 3.66Å; F234-F243 HydrophobicContact CD2-CE2 3.66Å; F234-F243 HydrophobicContact CD2-CZ 4.18Å; F234-F243 HydrophobicContact CG-CE2 4.09Å; F234-F243 HydrophobicContact CG-CZ 4.17Å; F234-F243 PolarHBondContact N-O 3.39Å; F234-F243 PolarHBondContact O-N 3.14Å; W241-F243 HydrophobicContact CE3-CD1 4.05Å; W241-F243 HydrophobicContact CE3-CE1 4.21Å; W241-F243 AromaticContact CZ3-CD1 3.9Å; W241-F243 HydrophobicContact CZ3-CD1 3.9Å; W241-F243 AromaticContact CZ3-CE1 3.6Å; W241-F243 HydrophobicContact CZ3-CE1 3.6Å; F243-F248 HydrophobicContact CB-CD2 4.24Å; F243-F248 HydrophobicContact CB-CE2 3.9Å; F243-F248 AromaticContact CD1-CE2 3.83Å; F243-F248 HydrophobicContact CD1-CE2 3.83Å; F243-F248 AromaticContact CD2-CD2 3.7Å; F243-F248 HydrophobicContact CD2-CD2 3.7Å; F243-F248 AromaticContact CD2-CE2 3.62Å; F243-F248 HydrophobicContact CD2-CE2 3.62Å; F243-F248 HydrophobicContact CE1-CE2 4.2Å; F243-F248 HydrophobicContact CE2-CD2 4.19Å; F243-F248 HydrophobicContact CE2-CE2 4.03Å; F243-F248 AromaticContact CG-CD2 3.99Å; F243-F248 HydrophobicContact CG-CD2 3.99Å; F243-F248 AromaticContact CG-CE2 3.51Å; F243-F248 HydrophobicContact CG-CE2 3.51Å; F243-F248 HydrophobicContact CZ-CE2 4.31Å; F243-F293 HydrophobicContact CE2-CE2 4.09Å; F243-F293 AromaticContact CE2-CZ 3.89Å; F243-F293 HydrophobicContact CE2-CZ 3.89Å; F243-F293 HydrophobicContact CZ-CZ 4.08Å; F243-V297 HydrophobicContact CE1-CG1 4.07Å; F243-V297 HydrophobicContact CE2-CG1 3.73Å; F243-V297 HydrophobicContact CZ-CG1 3.45Å; F243-V297 VanDerWaalsContact CZ-CG1 3.45Å; F243-I301 HydrophobicContact CD1-CD1 4.3Å; F243-I301 HydrophobicContact CE1-CD1 3.55Å; F243-I301 HydrophobicContact CZ-CD1 4.24Å; F243-L350 HydrophobicContact CB-CD2 4.47Å; F243-L350 HydrophobicContact CD1-CD1 4.42Å |
| 244 | S | 90.3 | Very high | 88.2 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 4% | 0.042 | 13% | 0.129 | C | C | . | . | trans | -98.6 | 161 | 159.2 | 73.4 | 0 | 0 | 0 | 0 | 109.7 | Q246 H247 | S244-Q246 PolarHBondContact O-N 3.22Å; S244-Q246 PolarHBondContact OG-OE1 3.29Å; S244-H247 WeakPolarHBondContact O-CB 3.23Å; S244-H247 PolarHBondContact O-N 3.46Å; S244-H247 VanDerWaalsContact O-N 3.14Å | ||
| 245 | I | 86.9 | Confident | 87.7 | Confident | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.2 | -30.2 | 176.5 | -63.1 | -164.4 | 0 | 0 | 0 | 111.4 | P227 H247 F248 A249 L264 L267 W268 F293 | P227-I245 HydrophobicContact CB-CD1 3.37Å; P227-I245 HydrophobicContact CB-CG1 4.06Å; I245-H247 VanDerWaalsContact C-N 3.26Å; I245-H247 PolarHBondContact O-N 3.15Å; I245-F248 PolarHBondContact O-N 3.45Å; I245-A249 WeakPolarHBondContact O-CB 3.44Å; I245-A249 PolarHBondContact O-N 3.12Å; I245-L264 HydrophobicContact CG2-CD2 4.34Å; I245-L267 HydrophobicContact CG2-CB 3.66Å; I245-L267 HydrophobicContact CG2-CD1 3.68Å; I245-L267 HydrophobicContact CG2-CG 4.32Å; I245-W268 HydrophobicContact CD1-CB 3.8Å; I245-W268 HydrophobicContact CD1-CD2 4.31Å; I245-W268 HydrophobicContact CD1-CE3 3.91Å; I245-W268 HydrophobicContact CD1-CG 4.3Å; I245-F293 HydrophobicContact CD1-CD2 4.37Å; I245-F293 HydrophobicContact CD1-CE2 4.12Å; I245-F293 HydrophobicContact CG1-CE2 4.27Å |
| 246 | Q | 86.3 | Confident | 87 | Confident | 39 Ų | 39 | 37.2 Ų | 37.2 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.9 | -37.6 | 175.2 | -54.6 | 153.7 | -51.4 | 0 | 0 | 112.5 | S244 A249 H250 L264 E362 | S244-Q246 PolarHBondContact O-N 3.22Å; S244-Q246 PolarHBondContact OG-OE1 3.29Å; Q246-A249 PolarHBondContact O-N 2.9Å; Q246-H250 PolarHBondContact O-N 3.34Å; Q246-L264 HydrophobicContact CB-CD2 4.14Å; Q246-L264 HydrophobicContact CG-CD2 3.66Å; Q246-E362 PolarHBondContact NE2-OE2 3.02Å |
| 247 | H | 85.8 | Confident | 86.3 | Confident | 62 Ų | 62 | 40.6 Ų | 40.6 | 29% | 0.287 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64 | -47.4 | -179.6 | -163.2 | 82 | 0 | 0 | 0 | 111.2 | S244 I245 H250 I251 L350 | S244-H247 WeakPolarHBondContact O-CB 3.23Å; S244-H247 PolarHBondContact O-N 3.46Å; S244-H247 VanDerWaalsContact O-N 3.14Å; I245-H247 VanDerWaalsContact C-N 3.26Å; I245-H247 PolarHBondContact O-N 3.15Å; H247-H250 PolarHBondContact O-N 2.84Å; H247-I251 WeakPolarHBondContact O-CG1 3.42Å; H247-I251 PolarHBondContact O-N 2.88Å; H247-I251 VanDerWaalsContact O-N 3.12Å; H247-L350 VanDerWaalsContact CD2-CD2 3.42Å; H247-L350 WeakPolarHBondContact CD2-CD2 3.47Å |
| 248 | F | 87.6 | Confident | 86.1 | Confident | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.9 | -36.1 | 174.4 | -79.9 | -66.7 | 0 | 0 | 0 | 112.8 | F243 I245 H250 I251 Y252 V297 W349 L350 | F243-F248 HydrophobicContact CB-CD2 4.24Å; F243-F248 HydrophobicContact CB-CE2 3.9Å; F243-F248 AromaticContact CD1-CE2 3.83Å; F243-F248 HydrophobicContact CD1-CE2 3.83Å; F243-F248 AromaticContact CD2-CD2 3.7Å; F243-F248 HydrophobicContact CD2-CD2 3.7Å; F243-F248 AromaticContact CD2-CE2 3.62Å; F243-F248 HydrophobicContact CD2-CE2 3.62Å; F243-F248 HydrophobicContact CE1-CE2 4.2Å; F243-F248 HydrophobicContact CE2-CD2 4.19Å; F243-F248 HydrophobicContact CE2-CE2 4.03Å; F243-F248 AromaticContact CG-CD2 3.99Å; F243-F248 HydrophobicContact CG-CD2 3.99Å; F243-F248 AromaticContact CG-CE2 3.51Å; F243-F248 HydrophobicContact CG-CE2 3.51Å; F243-F248 HydrophobicContact CZ-CE2 4.31Å; I245-F248 PolarHBondContact O-N 3.45Å; F248-H250 VanDerWaalsContact C-N 3.26Å; F248-H250 PolarHBondContact O-N 3.35Å; F248-I251 HydrophobicContact CD1-CD1 4.32Å; F248-I251 PolarHBondContact O-N 2.95Å; F248-Y252 HydrophobicContact CB-CD2 4.24Å; F248-Y252 HydrophobicContact CB-CE2 4.4Å; F248-Y252 HydrophobicContact CD1-CD2 4.3Å; F248-Y252 AromaticContact CD1-CE2 3.74Å; F248-Y252 HydrophobicContact CD1-CE2 3.74Å; F248-Y252 HydrophobicContact CG-CE2 4.47Å; F248-Y252 WeakPolarHBondContact O-CB 3.31Å; F248-Y252 VanDerWaalsContact O-CD2 3.25Å; F248-Y252 WeakPolarHBondContact O-CD2 3.49Å; F248-Y252 PolarHBondContact O-N 2.8Å; F248-V297 HydrophobicContact CB-CG2 4.22Å; F248-V297 HydrophobicContact CD1-CG2 4.28Å; F248-V297 HydrophobicContact CD2-CB 4.48Å; F248-V297 HydrophobicContact CD2-CG1 3.93Å; F248-V297 HydrophobicContact CD2-CG2 3.75Å; F248-V297 HydrophobicContact CE2-CB 4.38Å; F248-V297 HydrophobicContact CE2-CG1 3.5Å; F248-V297 VanDerWaalsContact CE2-CG1 3.5Å; F248-V297 HydrophobicContact CE2-CG2 4.11Å; F248-V297 HydrophobicContact CG-CG2 3.83Å; F248-V297 HydrophobicContact CZ-CG1 3.95Å; F248-W349 HydrophobicContact CE1-CZ2 4.22Å; F248-W349 HydrophobicContact CZ-CZ2 4.35Å; F248-L350 HydrophobicContact CE2-CD1 4.25Å; F248-L350 HydrophobicContact CZ-CD1 3.76Å; F248-L350 HydrophobicContact CZ-CD2 4.23Å |
| 249 | A | 87 | Confident | 86 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.8 | -39.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I245 Q246 S253 T260 L263 L264 L267 | I245-A249 WeakPolarHBondContact O-CB 3.44Å; I245-A249 PolarHBondContact O-N 3.12Å; Q246-A249 PolarHBondContact O-N 2.9Å; A249-S253 WeakPolarHBondContact O-CB 2.98Å; A249-S253 PolarHBondContact O-N 2.86Å; A249-T260 HydrophobicContact CB-CG2 3.73Å; A249-L263 HydrophobicContact CB-CB 3.97Å; A249-L263 WeakPolarHBondContact O-CD1 3.25Å; A249-L264 HydrophobicContact CB-CD2 4.08Å; A249-L264 HydrophobicContact CB-CG 4.06Å; A249-L267 HydrophobicContact CB-CD1 3.82Å |
| 250 | H | 86.4 | Confident | 86 | Confident | 103 Ų | 103 | 48 Ų | 48 | 48% | 0.477 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.2 | -47 | 175.7 | -164.9 | 85.8 | 0 | 0 | 0 | 112.3 | Q246 H247 F248 Y252 S253 Q254 | Q246-H250 PolarHBondContact O-N 3.34Å; H247-H250 PolarHBondContact O-N 2.84Å; F248-H250 VanDerWaalsContact C-N 3.26Å; F248-H250 PolarHBondContact O-N 3.35Å; H250-Y252 PolarHBondContact O-N 2.83Å; H250-S253 PolarHBondContact O-N 2.95Å; H250-Q254 PolarHBondContact CD2-NE2 2.84Å; H250-Q254 VanDerWaalsContact CD2-NE2 3.32Å; H250-Q254 PolarHBondContact NE2-NE2 2.85Å; H250-Q254 PolarHBondContact O-N 3.48Å; H250-Q254 VanDerWaalsContact O-N 3.11Å |
| 251 | I | 85.4 | Confident | 86 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59 | -47 | 177.3 | -67.7 | 166.5 | 0 | 0 | 0 | 111.4 | H247 F248 Q254 R255 | H247-I251 WeakPolarHBondContact O-CG1 3.42Å; H247-I251 PolarHBondContact O-N 2.88Å; H247-I251 VanDerWaalsContact O-N 3.12Å; F248-I251 HydrophobicContact CD1-CD1 4.32Å; F248-I251 PolarHBondContact O-N 2.95Å; I251-Q254 PolarHBondContact O-N 2.93Å; I251-R255 WeakPolarHBondContact O-CB 3.47Å; I251-R255 PolarHBondContact O-N 2.92Å; I251-R255 VanDerWaalsContact O-N 3.08Å |
| 252 | Y | 84.7 | Confident | 85.7 | Confident | 14 Ų | 14 | 56.2 Ų | 56.2 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -76.4 | -25.7 | -180 | -73.3 | -66.2 | 0 | 0 | 0 | 113.1 | F248 H250 R255 M256 L296 N300 | F248-Y252 HydrophobicContact CB-CD2 4.24Å; F248-Y252 HydrophobicContact CB-CE2 4.4Å; F248-Y252 HydrophobicContact CD1-CD2 4.3Å; F248-Y252 AromaticContact CD1-CE2 3.74Å; F248-Y252 HydrophobicContact CD1-CE2 3.74Å; F248-Y252 HydrophobicContact CG-CE2 4.47Å; F248-Y252 WeakPolarHBondContact O-CB 3.31Å; F248-Y252 VanDerWaalsContact O-CD2 3.25Å; F248-Y252 WeakPolarHBondContact O-CD2 3.49Å; F248-Y252 PolarHBondContact O-N 2.8Å; H250-Y252 PolarHBondContact O-N 2.83Å; Y252-R255 PolarHBondContact O-N 3.04Å; Y252-M256 HydrophobicContact CD1-CE 3.91Å; Y252-M256 HydrophobicContact CD1-SD 4.36Å; Y252-M256 HydrophobicContact CE1-CE 4.29Å; Y252-M256 WeakPolarHBondContact O-CB 3.1Å; Y252-M256 PolarHBondContact O-N 2.92Å; Y252-L296 HydrophobicContact CD1-CD1 4.39Å; Y252-L296 HydrophobicContact CD2-CB 4.48Å; Y252-L296 HydrophobicContact CD2-CD1 4.3Å; Y252-L296 HydrophobicContact CE1-CD2 4.14Å; Y252-L296 HydrophobicContact CE2-CB 3.87Å; Y252-L296 HydrophobicContact CE2-CD1 4.43Å; Y252-L296 HydrophobicContact CG-CD1 4.3Å; Y252-L296 PolarHBondContact OH-O 3.46Å; Y252-N300 PolarHBondContact OH-ND2 3.37Å |
| 253 | S | 86.8 | Confident | 85.2 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 169.4 | -173.4 | 0 | 0 | 0 | 0 | 110.9 | A249 H250 R255 G257 I258 T260 | A249-S253 WeakPolarHBondContact O-CB 2.98Å; A249-S253 PolarHBondContact O-N 2.86Å; H250-S253 PolarHBondContact O-N 2.95Å; S253-R255 VanDerWaalsContact C-N 3.35Å; S253-R255 PolarHBondContact O-N 3.43Å; S253-G257 WeakPolarHBondContact O-CA 3.19Å; S253-G257 PolarHBondContact O-N 3.19Å; S253-I258 VanDerWaalsContact CA-O 3.29Å; S253-I258 WeakPolarHBondContact CA-O 3.29Å; S253-I258 WeakPolarHBondContact CB-O 3.47Å; S253-I258 PolarHBondContact OG-O 2.99Å; S253-T260 PolarHBondContact OG-OG1 3.2Å |
| 254 | Q | 85.1 | Confident | 84.7 | Confident | 148 Ų | 148 | 58 Ų | 58 | 69% | 0.692 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.7 | -38.5 | 175 | -65.6 | -177.5 | 9.1 | 0 | 0 | 112.8 | H250 I251 | H250-Q254 PolarHBondContact CD2-NE2 2.84Å; H250-Q254 VanDerWaalsContact CD2-NE2 3.32Å; H250-Q254 PolarHBondContact NE2-NE2 2.85Å; H250-Q254 PolarHBondContact O-N 3.48Å; H250-Q254 VanDerWaalsContact O-N 3.11Å; I251-Q254 PolarHBondContact O-N 2.93Å |
| 255 | R | 82.5 | Confident | 84.2 | Confident | 149 Ų | 149 | 65.5 Ų | 65.5 | 56% | 0.562 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -81.7 | -29 | -175.5 | -172.5 | 177.2 | -73.9 | -165 | -5.6 | 114.5 | I251 Y252 S253 S323 | I251-R255 WeakPolarHBondContact O-CB 3.47Å; I251-R255 PolarHBondContact O-N 2.92Å; I251-R255 VanDerWaalsContact O-N 3.08Å; Y252-R255 PolarHBondContact O-N 3.04Å; S253-R255 VanDerWaalsContact C-N 3.35Å; S253-R255 PolarHBondContact O-N 3.43Å; R255-S323 PolarHBondContact NH2-O 3.17Å; R255-S323 VanDerWaalsContact NH2-O 3.1Å |
| 256 | M | 78.7 | Confident | 84 | Confident | 79 Ų | 79 | 66.1 Ų | 66.1 | 39% | 0.389 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -117.8 | -7.2 | -174.3 | -60.4 | -174.4 | 172.9 | 0 | 0 | 114.3 | Y252 I258 L273 L296 | Y252-M256 HydrophobicContact CD1-CE 3.91Å; Y252-M256 HydrophobicContact CD1-SD 4.36Å; Y252-M256 HydrophobicContact CE1-CE 4.29Å; Y252-M256 WeakPolarHBondContact O-CB 3.1Å; Y252-M256 PolarHBondContact O-N 2.92Å; M256-I258 HydrophobicContact CB-CD1 4.19Å; M256-I258 HydrophobicContact CB-CG1 4.13Å; M256-I258 PolarHBondContact O-N 3.16Å; M256-I258 HydrophobicContact SD-CD1 4.45Å; M256-L273 HydrophobicContact CE-CD2 4.25Å; M256-L296 HydrophobicContact CE-CD1 4.47Å; M256-L296 HydrophobicContact CE-CD2 4.02Å |
| 257 | G | 78.9 | Confident | 83.8 | Confident | 72 Ų | 72 | 64.2 Ų | 64.2 | 74% | 0.742 | 32% | 0.318 | S | S | * | . | trans | 72.5 | 7.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S253 | S253-G257 WeakPolarHBondContact O-CA 3.19Å; S253-G257 PolarHBondContact O-N 3.19Å | ||
| 258 | I | 82.9 | Confident | 83.7 | Confident | 39 Ų | 39 | 62.4 Ų | 62.4 | 20% | 0.2 | 31% | 0.308 | C | S | . | . | trans | -82.4 | 138.2 | 178.9 | -55 | 175.1 | 0 | 0 | 0 | 109.3 | S253 M256 T260 V262 L263 I280 | S253-I258 VanDerWaalsContact CA-O 3.29Å; S253-I258 WeakPolarHBondContact CA-O 3.29Å; S253-I258 WeakPolarHBondContact CB-O 3.47Å; S253-I258 PolarHBondContact OG-O 2.99Å; M256-I258 HydrophobicContact CB-CD1 4.19Å; M256-I258 HydrophobicContact CB-CG1 4.13Å; M256-I258 PolarHBondContact O-N 3.16Å; M256-I258 HydrophobicContact SD-CD1 4.45Å; I258-T260 PolarHBondContact O-N 2.95Å; I258-V262 HydrophobicContact CG2-CB 4.34Å; I258-V262 HydrophobicContact CG2-CG1 4.43Å; I258-L263 HydrophobicContact CB-CD1 4.18Å; I258-L263 HydrophobicContact CB-CD2 4.27Å; I258-L263 HydrophobicContact CB-CG 4.12Å; I258-L263 HydrophobicContact CD1-CD2 4.31Å; I258-L263 HydrophobicContact CG2-CD1 4.42Å; I258-L263 HydrophobicContact CG2-CD2 4.03Å; I258-L263 HydrophobicContact CG2-CG 3.84Å; I258-I280 HydrophobicContact CD1-CD1 4.42Å | ||
| 259 | R | 85.5 | Confident | 83.3 | Confident | 164 Ų | 164 | 63.2 Ų | 63.2 | 62% | 0.619 | 32% | 0.318 | S | S | * | . | trans | -59.4 | 133.7 | 176.9 | -73.8 | -166.9 | -73.5 | 146.7 | -13.7 | 112.1 | E261 V262 L263 | R259-E261 VanDerWaalsContact C-N 3.28Å; R259-E261 IonicContact CZ-OE2 2.75Å; R259-E261 IonicContact NH1-OE2 3.63Å; R259-E261 PolarHBondContact NH1-OE2 3.4Å; R259-E261 PolarHBondContact O-N 3.11Å; R259-V262 HydrophobicContact CB-CG2 4.18Å; R259-V262 WeakPolarHBondContact O-CB 3.32Å; R259-V262 PolarHBondContact O-N 3.16Å; R259-L263 PolarHBondContact O-N 3.5Å | ||
| 260 | T | 84.8 | Confident | 82.9 | Confident | 46 Ų | 46 | 65.5 Ų | 65.5 | 28% | 0.282 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -52.9 | -41.4 | -179.8 | -41 | 0 | 0 | 0 | 0 | 113.1 | A249 S253 I258 V262 L263 L264 | A249-T260 HydrophobicContact CB-CG2 3.73Å; S253-T260 PolarHBondContact OG-OG1 3.2Å; I258-T260 PolarHBondContact O-N 2.95Å; T260-V262 VanDerWaalsContact C-N 3.28Å; T260-V262 PolarHBondContact O-N 2.84Å; T260-L263 PolarHBondContact O-N 3.02Å; T260-L264 WeakPolarHBondContact O-CG 3.43Å; T260-L264 PolarHBondContact O-N 2.96Å |
| 261 | E | 84.9 | Confident | 82.8 | Confident | 119 Ų | 119 | 62.4 Ų | 62.4 | 56% | 0.556 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -57.6 | -38.2 | 177.3 | -57.8 | 163.7 | 156.7 | 0 | 0 | 113.2 | R259 K265 | R259-E261 VanDerWaalsContact C-N 3.28Å; R259-E261 IonicContact CZ-OE2 2.75Å; R259-E261 IonicContact NH1-OE2 3.63Å; R259-E261 PolarHBondContact NH1-OE2 3.4Å; R259-E261 PolarHBondContact O-N 3.11Å; E261-K265 PolarHBondContact O-N 3.3Å |
| 262 | V | 84.5 | Confident | 82.7 | Confident | 58 Ų | 58 | 60.5 Ų | 60.5 | 35% | 0.352 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -75.6 | -41.1 | -179.4 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | I258 R259 T260 K265 T266 | I258-V262 HydrophobicContact CG2-CB 4.34Å; I258-V262 HydrophobicContact CG2-CG1 4.43Å; R259-V262 HydrophobicContact CB-CG2 4.18Å; R259-V262 WeakPolarHBondContact O-CB 3.32Å; R259-V262 PolarHBondContact O-N 3.16Å; T260-V262 VanDerWaalsContact C-N 3.28Å; T260-V262 PolarHBondContact O-N 2.84Å; V262-K265 PolarHBondContact O-N 2.84Å; V262-T266 WeakPolarHBondContact O-CB 3.39Å; V262-T266 WeakPolarHBondContact O-CG2 3.17Å; V262-T266 PolarHBondContact O-N 3.3Å; V262-T266 PolarHBondContact O-OG1 3.08Å |
| 263 | L | 82.3 | Confident | 82.7 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 173.6 | -70.3 | 173.2 | 0 | 0 | 0 | 111.8 | A249 I258 R259 T260 K265 T266 L267 I280 | A249-L263 HydrophobicContact CB-CB 3.97Å; A249-L263 WeakPolarHBondContact O-CD1 3.25Å; I258-L263 HydrophobicContact CB-CD1 4.18Å; I258-L263 HydrophobicContact CB-CD2 4.27Å; I258-L263 HydrophobicContact CB-CG 4.12Å; I258-L263 HydrophobicContact CD1-CD2 4.31Å; I258-L263 HydrophobicContact CG2-CD1 4.42Å; I258-L263 HydrophobicContact CG2-CD2 4.03Å; I258-L263 HydrophobicContact CG2-CG 3.84Å; R259-L263 PolarHBondContact O-N 3.5Å; T260-L263 PolarHBondContact O-N 3.02Å; L263-K265 PolarHBondContact O-N 2.99Å; L263-T266 PolarHBondContact O-N 2.7Å; L263-T266 VanDerWaalsContact O-N 3.15Å; L263-L267 HydrophobicContact CB-CD1 4.06Å; L263-L267 HydrophobicContact CB-CG 4.39Å; L263-L267 VanDerWaalsContact O-CB 3.29Å; L263-L267 WeakPolarHBondContact O-CB 3.44Å; L263-L267 WeakPolarHBondContact O-CD1 3.46Å; L263-L267 WeakPolarHBondContact O-CG 3.06Å; L263-L267 PolarHBondContact O-N 3.24Å; L263-I280 HydrophobicContact CD2-CD1 4.16Å |
| 264 | L | 81.6 | Confident | 82.3 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 20% | 0.204 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -53.2 | -52.1 | 176.2 | -79.7 | 170.9 | 0 | 0 | 0 | 111.8 | D228 I245 Q246 A249 T260 T266 | D228-L264 VanDerWaalsContact OD1-O 3.06Å; I245-L264 HydrophobicContact CG2-CD2 4.34Å; Q246-L264 HydrophobicContact CB-CD2 4.14Å; Q246-L264 HydrophobicContact CG-CD2 3.66Å; A249-L264 HydrophobicContact CB-CD2 4.08Å; A249-L264 HydrophobicContact CB-CG 4.06Å; T260-L264 WeakPolarHBondContact O-CG 3.43Å; T260-L264 PolarHBondContact O-N 2.96Å; L264-T266 PolarHBondContact O-N 3.18Å |
| 265 | K | 80.3 | Confident | 81.9 | Confident | 162 Ų | 162 | 59.1 Ų | 59.1 | 70% | 0.704 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -78.5 | 7.6 | -178.7 | -62.4 | -174.2 | 176.1 | -172.2 | 0 | 115.2 | E261 V262 L263 F271 | E261-K265 PolarHBondContact O-N 3.3Å; V262-K265 PolarHBondContact O-N 2.84Å; L263-K265 PolarHBondContact O-N 2.99Å; K265-F271 WeakPolarHBondContact O-CE2 3.41Å |
| 266 | T | 82.3 | Confident | 81.8 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -140.8 | -10.7 | -176.2 | 61.3 | 0 | 0 | 0 | 0 | 115.3 | V262 L263 L264 F271 I280 L292 | V262-T266 WeakPolarHBondContact O-CB 3.39Å; V262-T266 WeakPolarHBondContact O-CG2 3.17Å; V262-T266 PolarHBondContact O-N 3.3Å; V262-T266 PolarHBondContact O-OG1 3.08Å; L263-T266 PolarHBondContact O-N 2.7Å; L263-T266 VanDerWaalsContact O-N 3.15Å; L264-T266 PolarHBondContact O-N 3.18Å; T266-F271 HydrophobicContact CG2-CD1 3.98Å; T266-F271 HydrophobicContact CG2-CD2 4.45Å; T266-F271 HydrophobicContact CG2-CE1 3.72Å; T266-F271 HydrophobicContact CG2-CE2 4.24Å; T266-F271 HydrophobicContact CG2-CG 4.32Å; T266-F271 HydrophobicContact CG2-CZ 3.86Å; T266-F271 WeakPolarHBondContact O-CB 3.49Å; T266-I280 HydrophobicContact CG2-CG2 4.32Å; T266-L292 WeakPolarHBondContact O-CD2 3.42Å |
| 267 | L | 81.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.4 | -38.2 | 172.8 | -83.1 | 165.4 | 0 | 0 | 0 | 111.1 | I245 A249 L263 L292 F293 L296 | I245-L267 HydrophobicContact CG2-CB 3.66Å; I245-L267 HydrophobicContact CG2-CD1 3.68Å; I245-L267 HydrophobicContact CG2-CG 4.32Å; A249-L267 HydrophobicContact CB-CD1 3.82Å; L263-L267 HydrophobicContact CB-CD1 4.06Å; L263-L267 HydrophobicContact CB-CG 4.39Å; L263-L267 VanDerWaalsContact O-CB 3.29Å; L263-L267 WeakPolarHBondContact O-CB 3.44Å; L263-L267 WeakPolarHBondContact O-CD1 3.46Å; L263-L267 WeakPolarHBondContact O-CG 3.06Å; L263-L267 PolarHBondContact O-N 3.24Å; L267-L292 HydrophobicContact CD2-CD2 4.19Å; L267-L292 HydrophobicContact CD2-CG 4.21Å; L267-F293 VanDerWaalsContact O-CB 3.29Å; L267-F293 WeakPolarHBondContact O-CB 3.11Å; L267-F293 PolarHBondContact O-N 3.05Å; L267-F293 VanDerWaalsContact O-N 3.15Å; L267-L296 HydrophobicContact CD2-CD1 4.15Å |
| 268 | W | 83.3 | Confident | 81.4 | Confident | 24 Ų | 24 | 66.3 Ų | 66.3 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -93.8 | 158.7 | 171.9 | -163.5 | -109.6 | 0 | 0 | 0 | 111.1 | Y163 L166 Q167 L170 P227 D228 F234 I245 F271 F293 | Y163-W268 HydrophobicContact CD2-CH2 4.12Å; Y163-W268 AromaticContact CD2-CZ3 3.95Å; Y163-W268 HydrophobicContact CD2-CZ3 3.95Å; Y163-W268 HydrophobicContact CE2-CD2 4.2Å; Y163-W268 AromaticContact CE2-CE3 3.75Å; Y163-W268 HydrophobicContact CE2-CE3 3.75Å; Y163-W268 AromaticContact CE2-CH2 3.77Å; Y163-W268 HydrophobicContact CE2-CH2 3.77Å; Y163-W268 HydrophobicContact CE2-CZ2 4.22Å; Y163-W268 AromaticContact CE2-CZ3 3.53Å; Y163-W268 HydrophobicContact CE2-CZ3 3.53Å; L166-W268 HydrophobicContact CB-CH2 4.36Å; Q167-W268 HydrophobicContact CG-CH2 4.33Å; Q167-W268 HydrophobicContact CG-CZ2 3.85Å; L170-W268 HydrophobicContact CD1-CH2 3.86Å; L170-W268 HydrophobicContact CD1-CZ2 3.44Å; L170-W268 VanDerWaalsContact CD1-CZ2 3.44Å; P227-W268 HydrophobicContact CB-CD2 3.93Å; P227-W268 HydrophobicContact CB-CE3 4.14Å; P227-W268 HydrophobicContact CB-CG 4.12Å; P227-W268 HydrophobicContact CG-CD2 3.87Å; P227-W268 HydrophobicContact CG-CE3 4.19Å; P227-W268 HydrophobicContact CG-CG 4.34Å; P227-W268 HydrophobicContact CG-CH2 4.33Å; P227-W268 HydrophobicContact CG-CZ2 3.99Å; P227-W268 HydrophobicContact CG-CZ3 4.4Å; D228-W268 VanDerWaalsContact OD2-CD1 3.25Å; F234-W268 HydrophobicContact CE1-CH2 4.43Å; F234-W268 HydrophobicContact CE1-CZ3 4.5Å; F234-W268 HydrophobicContact CE2-CZ3 4.09Å; F234-W268 HydrophobicContact CZ-CE3 4.44Å; F234-W268 AromaticContact CZ-CH2 3.77Å; F234-W268 HydrophobicContact CZ-CH2 3.77Å; F234-W268 AromaticContact CZ-CZ3 3.6Å; F234-W268 HydrophobicContact CZ-CZ3 3.6Å; I245-W268 HydrophobicContact CD1-CB 3.8Å; I245-W268 HydrophobicContact CD1-CD2 4.31Å; I245-W268 HydrophobicContact CD1-CE3 3.91Å; I245-W268 HydrophobicContact CD1-CG 4.3Å; W268-F271 WeakPolarHBondContact O-CD2 3.45Å; W268-F293 HydrophobicContact CE3-CD1 4.36Å; W268-F293 AromaticContact CE3-CD2 3.97Å; W268-F293 HydrophobicContact CE3-CD2 3.97Å; W268-F293 HydrophobicContact CE3-CE1 4.44Å; W268-F293 HydrophobicContact CE3-CE2 4.08Å; W268-F293 HydrophobicContact CE3-CG 4.11Å; W268-F293 HydrophobicContact CE3-CZ 4.31Å; W268-F293 AromaticContact CZ3-CD1 3.99Å; W268-F293 HydrophobicContact CZ3-CD1 3.99Å; W268-F293 HydrophobicContact CZ3-CD2 4.29Å; W268-F293 AromaticContact CZ3-CE1 3.8Å; W268-F293 HydrophobicContact CZ3-CE1 3.8Å; W268-F293 HydrophobicContact CZ3-CE2 4.14Å; W268-F293 HydrophobicContact CZ3-CG 4.22Å; W268-F293 AromaticContact CZ3-CZ 3.89Å; W268-F293 HydrophobicContact CZ3-CZ 3.89Å |
| 269 | G | 79.2 | Confident | 81.2 | Confident | 21 Ų | 21 | 73 Ų | 73 | 22% | 0.216 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 85.6 | -170.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y163 F271 | Y163-G269 WeakPolarHBondContact OH-CA 3.32Å; Y163-G269 PolarHBondContact OH-N 2.98Å; Y163-G269 PolarHBondContact OH-O 2.82Å; G269-F271 VanDerWaalsContact C-N 3.3Å; G269-F271 PolarHBondContact O-N 3.12Å; G269-F271 VanDerWaalsContact O-N 3.08Å |
| 270 | D | 79 | Confident | 81.1 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -87.5 | 61.7 | -174 | -172 | 46.6 | 0 | 0 | 0 | 113.3 | K282 G283 A284 Q285 | D270-K282 WeakPolarHBondContact O-CA 3.3Å; D270-G283 PolarHBondContact O-N 3.06Å; D270-G283 VanDerWaalsContact O-N 3.09Å; D270-G283 WeakPolarHBondContact OD2-CA 3.37Å; D270-G283 PolarHBondContact OD2-N 3.16Å; D270-A284 VanDerWaalsContact CG-N 3.3Å; D270-A284 WeakPolarHBondContact OD1-CA 3.03Å; D270-A284 WeakPolarHBondContact OD1-CB 3.37Å; D270-A284 PolarHBondContact OD1-N 3.26Å; D270-A284 PolarHBondContact OD2-N 2.66Å; D270-Q285 WeakPolarHBondContact OD1-CG 3.4Å; D270-Q285 PolarHBondContact OD1-N 3.32Å |
| 271 | F | 84.3 | Confident | 80.9 | Confident | 37 Ų | 37 | 68 Ų | 68 | 16% | 0.162 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 150.8 | 172.7 | -62.5 | -89.9 | 0 | 0 | 0 | 111 | K265 T266 W268 G269 I280 M281 K282 P291 L292 | K265-F271 WeakPolarHBondContact O-CE2 3.41Å; T266-F271 HydrophobicContact CG2-CD1 3.98Å; T266-F271 HydrophobicContact CG2-CD2 4.45Å; T266-F271 HydrophobicContact CG2-CE1 3.72Å; T266-F271 HydrophobicContact CG2-CE2 4.24Å; T266-F271 HydrophobicContact CG2-CG 4.32Å; T266-F271 HydrophobicContact CG2-CZ 3.86Å; T266-F271 WeakPolarHBondContact O-CB 3.49Å; W268-F271 WeakPolarHBondContact O-CD2 3.45Å; G269-F271 VanDerWaalsContact C-N 3.3Å; G269-F271 PolarHBondContact O-N 3.12Å; G269-F271 VanDerWaalsContact O-N 3.08Å; F271-I280 HydrophobicContact CB-CG2 3.84Å; F271-I280 HydrophobicContact CD1-CG2 3.91Å; F271-I280 HydrophobicContact CG-CG2 4.23Å; F271-M281 CarbonylContact C-O 3.53Å; F271-M281 VanDerWaalsContact CA-O 3.32Å; F271-M281 WeakPolarHBondContact CA-O 3.41Å; F271-K282 HydrophobicContact CD1-CG 3.67Å; F271-K282 HydrophobicContact CE1-CD 4.09Å; F271-K282 HydrophobicContact CE1-CG 3.41Å; F271-K282 VanDerWaalsContact CE1-CG 3.41Å; F271-K282 HydrophobicContact CZ-CD 4.49Å; F271-K282 HydrophobicContact CZ-CG 4.18Å; F271-P291 CarbonylContact O-C 3.52Å; F271-P291 VanDerWaalsContact O-CA 3.3Å; F271-P291 WeakPolarHBondContact O-CA 3.11Å; F271-L292 PolarHBondContact O-N 3.29Å |
| 272 | Y | 84.6 | Confident | 80.7 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 150.7 | 168.9 | 66.8 | -84.9 | 0 | 0 | 0 | 111.3 | D274 I280 M281 G283 A284 K287 K289 | Y272-D274 HydrophobicContact CD2-CB 4.44Å; Y272-D274 HydrophobicContact CE2-CB 4.04Å; Y272-I280 WeakPolarHBondContact O-CA 3.34Å; Y272-M281 HydrophobicContact CD1-CB 4.42Å; Y272-M281 WeakPolarHBondContact CD1-O 3.33Å; Y272-M281 HydrophobicContact CE1-CB 3.81Å; Y272-M281 HydrophobicContact CE2-CB 4.1Å; Y272-M281 HydrophobicContact CE2-CE 3.86Å; Y272-M281 PolarHBondContact N-O 3.47Å; Y272-M281 PolarHBondContact O-N 3.33Å; Y272-M281 WeakPolarHBondContact OH-CE 3.35Å; Y272-G283 WeakPolarHBondContact CE1-O 3.48Å; Y272-A284 HydrophobicContact CD1-CB 3.71Å; Y272-A284 HydrophobicContact CG-CB 4.19Å; Y272-K287 HydrophobicContact CE1-CD 3.88Å; Y272-K287 WeakPolarHBondContact OH-CD 3.42Å; Y272-K287 PolarHBondContact OH-NZ 2.92Å; Y272-K289 HydrophobicContact CD1-CD 4.48Å; Y272-K289 HydrophobicContact CD2-CD 3.47Å; Y272-K289 VanDerWaalsContact CD2-CD 3.47Å; Y272-K289 HydrophobicContact CE2-CD 3.58Å; Y272-K289 HydrophobicContact CG-CB 4.3Å; Y272-K289 HydrophobicContact CG-CD 3.96Å |
| 273 | L | 83.1 | Confident | 80.4 | Confident | 23 Ų | 23 | 67.6 Ų | 67.6 | 12% | 0.12 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.9 | 166.7 | -178.1 | 62.9 | 0 | 0 | 0 | 108.9 | M256 I280 L292 | M256-L273 HydrophobicContact CE-CD2 4.25Å; L273-I280 HydrophobicContact CD1-CG1 4.32Å; L273-L292 HydrophobicContact CB-CD1 3.65Å |
| 274 | D | 80 | Confident | 80 | Confident | 21 Ų | 21 | 67.5 Ų | 67.5 | 11% | 0.112 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 108.8 | 168.6 | -150.1 | -60.8 | 0 | 0 | 0 | 110.3 | Y272 K276 I277 Q278 R279 M281 K289 | Y272-D274 HydrophobicContact CD2-CB 4.44Å; Y272-D274 HydrophobicContact CE2-CB 4.04Å; D274-K276 PolarHBondContact O-N 3.47Å; D274-K276 VanDerWaalsContact O-N 3.07Å; D274-K276 PolarHBondContact OD1-N 3Å; D274-I277 PolarHBondContact O-N 3Å; D274-Q278 PolarHBondContact O-N 3.33Å; D274-R279 PolarHBondContact N-O 3.11Å; D274-R279 VanDerWaalsContact N-O 3.08Å; D274-M281 HydrophobicContact CB-CE 3.52Å; D274-K289 IonicContact OD1-NZ 2.68Å; D274-K289 IonicContact OD2-NZ 3.55Å; D274-K289 PolarHBondContact OD2-NZ 2.89Å |
| 275 | T | 76.8 | Confident | 79.5 | Confident | 114 Ų | 114 | 71.4 Ų | 71.4 | 70% | 0.699 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.1 | -175.4 | 50 | 0 | 0 | 0 | 0 | 113.8 | ||
| 276 | K | 80.1 | Confident | 79.2 | Confident | 192 Ų | 192 | 69.9 Ų | 69.9 | 84% | 0.835 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -23.8 | 175.1 | -64 | -175.4 | 178.2 | -176 | 0 | 114 | D274 | D274-K276 PolarHBondContact O-N 3.47Å; D274-K276 VanDerWaalsContact O-N 3.07Å; D274-K276 PolarHBondContact OD1-N 3Å |
| 277 | I | 75 | Confident | 79 | Confident | 101 Ų | 101 | 74.4 Ų | 74.4 | 52% | 0.518 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -15.4 | -171 | -44 | -177.4 | 0 | 0 | 0 | 111.1 | D274 R279 M281 | D274-I277 PolarHBondContact O-N 3Å; I277-R279 HydrophobicContact CG2-CB 4.21Å; I277-R279 HydrophobicContact CG2-CG 4.04Å; I277-R279 PolarHBondContact O-N 3.45Å; I277-M281 HydrophobicContact CD1-CE 4.35Å |
| 278 | Q | 73.9 | Confident | 78.8 | Confident | 158 Ų | 158 | 78 Ų | 78 | 74% | 0.738 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 31.3 | -171.4 | -64 | -168.3 | -17.9 | 0 | 0 | 113.5 | D274 | D274-Q278 PolarHBondContact O-N 3.33Š|
| 279 | R | 79.2 | Confident | 78.9 | Confident | 180 Ų | 180 | 80.6 Ų | 80.6 | 68% | 0.679 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 144.3 | 175.3 | -66.9 | -178 | 77 | 175.2 | 4.1 | 110.5 | D274 I277 | D274-R279 PolarHBondContact N-O 3.11Å; D274-R279 VanDerWaalsContact N-O 3.08Å; I277-R279 HydrophobicContact CG2-CB 4.21Å; I277-R279 HydrophobicContact CG2-CG 4.04Å; I277-R279 PolarHBondContact O-N 3.45Å |
| 280 | I | 82.1 | Confident | 79.2 | Confident | 42 Ų | 42 | 83.6 Ų | 83.6 | 22% | 0.215 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 133 | 176.5 | -58.2 | 167.7 | 0 | 0 | 0 | 108.3 | I258 L263 T266 F271 Y272 L273 L292 | I258-I280 HydrophobicContact CD1-CD1 4.42Å; L263-I280 HydrophobicContact CD2-CD1 4.16Å; T266-I280 HydrophobicContact CG2-CG2 4.32Å; F271-I280 HydrophobicContact CB-CG2 3.84Å; F271-I280 HydrophobicContact CD1-CG2 3.91Å; F271-I280 HydrophobicContact CG-CG2 4.23Å; Y272-I280 WeakPolarHBondContact O-CA 3.34Å; L273-I280 HydrophobicContact CD1-CG1 4.32Å; I280-L292 HydrophobicContact CD1-CD2 4.04Å; I280-L292 HydrophobicContact CG1-CD2 4.28Å; I280-L292 HydrophobicContact CG2-CD2 4.39Å |
| 281 | M | 81.7 | Confident | 79.6 | Confident | 62 Ų | 62 | 81.5 Ų | 81.5 | 31% | 0.305 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 149.4 | 179.7 | -75.5 | -168.5 | -84.9 | 0 | 0 | 111.2 | F271 Y272 D274 I277 | F271-M281 CarbonylContact C-O 3.53Å; F271-M281 VanDerWaalsContact CA-O 3.32Å; F271-M281 WeakPolarHBondContact CA-O 3.41Å; Y272-M281 HydrophobicContact CD1-CB 4.42Å; Y272-M281 WeakPolarHBondContact CD1-O 3.33Å; Y272-M281 HydrophobicContact CE1-CB 3.81Å; Y272-M281 HydrophobicContact CE2-CB 4.1Å; Y272-M281 HydrophobicContact CE2-CE 3.86Å; Y272-M281 PolarHBondContact N-O 3.47Å; Y272-M281 PolarHBondContact O-N 3.33Å; Y272-M281 WeakPolarHBondContact OH-CE 3.35Å; D274-M281 HydrophobicContact CB-CE 3.52Å; I277-M281 HydrophobicContact CD1-CE 4.35Å |
| 282 | K | 80.4 | Confident | 79.7 | Confident | 156 Ų | 156 | 79.8 Ų | 79.8 | 68% | 0.678 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 159.7 | 172.1 | -71.4 | -172.6 | 173.2 | -170 | 0 | 112.1 | D270 F271 K287 | D270-K282 WeakPolarHBondContact O-CA 3.3Å; F271-K282 HydrophobicContact CD1-CG 3.67Å; F271-K282 HydrophobicContact CE1-CD 4.09Å; F271-K282 HydrophobicContact CE1-CG 3.41Å; F271-K282 VanDerWaalsContact CE1-CG 3.41Å; F271-K282 HydrophobicContact CZ-CD 4.49Å; F271-K282 HydrophobicContact CZ-CG 4.18Å; K282-K287 PolarHBondContact O-NZ 3.17Å |
| 283 | G | 77.8 | Confident | 79.8 | Confident | 13 Ų | 13 | 79.5 Ų | 79.5 | 13% | 0.134 | 40% | 0.4 | C | S | . | . | trans | 82.9 | 58.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D270 Y272 K287 | D270-G283 PolarHBondContact O-N 3.06Å; D270-G283 VanDerWaalsContact O-N 3.09Å; D270-G283 WeakPolarHBondContact OD2-CA 3.37Å; D270-G283 PolarHBondContact OD2-N 3.16Å; Y272-G283 WeakPolarHBondContact CE1-O 3.48Å; G283-K287 VanDerWaalsContact O-CD 3.27Å; G283-K287 WeakPolarHBondContact O-CD 3.27Å; G283-K287 WeakPolarHBondContact O-CG 3.39Å | ||
| 284 | A | 73.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -78.8 | -50.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | D270 Y272 T286 K287 G288 K289 | D270-A284 VanDerWaalsContact CG-N 3.3Å; D270-A284 WeakPolarHBondContact OD1-CA 3.03Å; D270-A284 WeakPolarHBondContact OD1-CB 3.37Å; D270-A284 PolarHBondContact OD1-N 3.26Å; D270-A284 PolarHBondContact OD2-N 2.66Å; Y272-A284 HydrophobicContact CD1-CB 3.71Å; Y272-A284 HydrophobicContact CG-CB 4.19Å; A284-T286 PolarHBondContact O-N 3.35Å; A284-K287 CarbonylContact O-C 3.6Å; A284-K287 PolarHBondContact O-N 3.13Å; A284-G288 PolarHBondContact O-N 3.16Å; A284-G288 VanDerWaalsContact O-N 3.1Å; A284-K289 CarbonylContact C-O 3.57Å; A284-K289 HydrophobicContact CB-CB 4.4Å; A284-K289 WeakPolarHBondContact CB-O 3.34Å; A284-K289 PolarHBondContact O-N 3.45Å |
| 285 | Q | 71.1 | Confident | 80.5 | Confident | 122 Ų | 122 | 80 Ų | 80 | 57% | 0.57 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -55.7 | -49 | 175.9 | -70.5 | -178.3 | 0.5 | 0 | 0 | 111.8 | D270 K287 G288 | D270-Q285 WeakPolarHBondContact OD1-CG 3.4Å; D270-Q285 PolarHBondContact OD1-N 3.32Å; Q285-K287 PolarHBondContact O-N 3.37Å; Q285-G288 PolarHBondContact O-N 2.82Å |
| 286 | T | 74.9 | Confident | 81 | Confident | 129 Ų | 129 | 75.4 Ų | 75.4 | 79% | 0.791 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -60.3 | -18.1 | 178.7 | -29.3 | 0 | 0 | 0 | 0 | 113.8 | A284 | A284-T286 PolarHBondContact O-N 3.35Š|
| 287 | K | 77.9 | Confident | 81.5 | Confident | 111 Ų | 111 | 66.3 Ų | 66.3 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -113.4 | 9.3 | -179.3 | -63.8 | 173.6 | -169.7 | 142.3 | 0 | 112.8 | Y272 K282 G283 A284 Q285 K289 | Y272-K287 HydrophobicContact CE1-CD 3.88Å; Y272-K287 WeakPolarHBondContact OH-CD 3.42Å; Y272-K287 PolarHBondContact OH-NZ 2.92Å; K282-K287 PolarHBondContact O-NZ 3.17Å; G283-K287 VanDerWaalsContact O-CD 3.27Å; G283-K287 WeakPolarHBondContact O-CD 3.27Å; G283-K287 WeakPolarHBondContact O-CG 3.39Å; A284-K287 CarbonylContact O-C 3.6Å; A284-K287 PolarHBondContact O-N 3.13Å; Q285-K287 PolarHBondContact O-N 3.37Å; K287-K289 HydrophobicContact CB-CG 4.42Å; K287-K289 PolarHBondContact O-N 3.04Å |
| 288 | G | 77.6 | Confident | 82.2 | Confident | 76 Ų | 76 | 61.5 Ų | 61.5 | 78% | 0.784 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 21.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A284 Q285 | A284-G288 PolarHBondContact O-N 3.16Å; A284-G288 VanDerWaalsContact O-N 3.1Å; Q285-G288 PolarHBondContact O-N 2.82Å |
| 289 | K | 84.6 | Confident | 83 | Confident | 79 Ų | 79 | 56.4 Ų | 56.4 | 34% | 0.343 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -95 | 143 | 179.1 | -68.8 | -168.4 | 175.2 | -160.1 | 0 | 110.6 | Y272 D274 A284 K287 | Y272-K289 HydrophobicContact CD1-CD 4.48Å; Y272-K289 HydrophobicContact CD2-CD 3.47Å; Y272-K289 VanDerWaalsContact CD2-CD 3.47Å; Y272-K289 HydrophobicContact CE2-CD 3.58Å; Y272-K289 HydrophobicContact CG-CB 4.3Å; Y272-K289 HydrophobicContact CG-CD 3.96Å; D274-K289 IonicContact OD1-NZ 2.68Å; D274-K289 IonicContact OD2-NZ 3.55Å; D274-K289 PolarHBondContact OD2-NZ 2.89Å; A284-K289 CarbonylContact C-O 3.57Å; A284-K289 HydrophobicContact CB-CB 4.4Å; A284-K289 WeakPolarHBondContact CB-O 3.34Å; A284-K289 PolarHBondContact O-N 3.45Å; K287-K289 HydrophobicContact CB-CG 4.42Å; K287-K289 PolarHBondContact O-N 3.04Å |
| 290 | K | 85.1 | Confident | 83.5 | Confident | 84 Ų | 84 | 51.3 Ų | 51.3 | 37% | 0.365 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 137.2 | 170.6 | -75.8 | -171.7 | 174.2 | -168.7 | 0 | 110.8 | V294 Q295 D299 | K290-V294 HydrophobicContact CB-CB 4.42Å; K290-V294 HydrophobicContact CD-CG1 3.88Å; K290-V294 HydrophobicContact CG-CG1 4.36Å; K290-Q295 HydrophobicContact CB-CG 3.69Å; K290-Q295 PolarHBondContact O-NE2 2.96Å; K290-D299 IonicContact NZ-OD1 2.68Å; K290-D299 PolarHBondContact NZ-OD1 2.88Å; K290-D299 IonicContact NZ-OD2 3.96Å; K290-D299 PolarHBondContact NZ-OD2 2.87Å |
| 291 | P | 87.2 | Confident | 83.9 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 158.2 | 169.9 | -24.2 | 34.8 | 0 | 0 | 0 | 113.4 | L160 Y163 F271 F293 V294 Q295 | L160-P291 HydrophobicContact CD1-CG 4.37Å; Y163-P291 HydrophobicContact CD1-CB 4.41Å; Y163-P291 HydrophobicContact CD1-CG 4.02Å; Y163-P291 HydrophobicContact CE1-CB 3.91Å; Y163-P291 HydrophobicContact CE1-CG 3.74Å; F271-P291 CarbonylContact O-C 3.52Å; F271-P291 VanDerWaalsContact O-CA 3.3Å; F271-P291 WeakPolarHBondContact O-CA 3.11Å; P291-F293 PolarHBondContact O-N 2.9Å; P291-V294 HydrophobicContact CB-CG2 4.26Å; P291-V294 HydrophobicContact CG-CG2 4.31Å; P291-V294 WeakPolarHBondContact O-CB 3.28Å; P291-V294 PolarHBondContact O-N 3.42Å; P291-Q295 PolarHBondContact O-N 3.47Å |
| 292 | L | 86.9 | Confident | 84.3 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.3 | -40.6 | -174.7 | -167.6 | 61.9 | 0 | 0 | 0 | 112.6 | T266 L267 F271 L273 I280 V294 Q295 L296 | T266-L292 WeakPolarHBondContact O-CD2 3.42Å; L267-L292 HydrophobicContact CD2-CD2 4.19Å; L267-L292 HydrophobicContact CD2-CG 4.21Å; F271-L292 PolarHBondContact O-N 3.29Å; L273-L292 HydrophobicContact CB-CD1 3.65Å; I280-L292 HydrophobicContact CD1-CD2 4.04Å; I280-L292 HydrophobicContact CG1-CD2 4.28Å; I280-L292 HydrophobicContact CG2-CD2 4.39Å; L292-V294 VanDerWaalsContact C-N 3.3Å; L292-V294 PolarHBondContact O-N 2.73Å; L292-Q295 PolarHBondContact O-N 3.27Å; L292-L296 HydrophobicContact CD1-CD1 3.65Å; L292-L296 HydrophobicContact CD1-CG 3.96Å; L292-L296 HydrophobicContact CG-CD1 3.96Å; L292-L296 HydrophobicContact CG-CG 4.42Å; L292-L296 WeakPolarHBondContact O-CB 3.49Å; L292-L296 PolarHBondContact O-N 3.47Å |
| 293 | F | 87.6 | Confident | 84.8 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.5 | -44.4 | 172.3 | -164 | -108.9 | 0 | 0 | 0 | 112.4 | Y163 F234 F243 I245 L267 W268 P291 V297 L298 | Y163-F293 HydrophobicContact CD2-CB 4.19Å; Y163-F293 AromaticContact CD2-CD1 3.5Å; Y163-F293 HydrophobicContact CD2-CD1 3.5Å; Y163-F293 HydrophobicContact CD2-CE1 4.23Å; Y163-F293 HydrophobicContact CD2-CG 4.17Å; Y163-F293 HydrophobicContact CE2-CB 3.91Å; Y163-F293 AromaticContact CE2-CD1 3.88Å; Y163-F293 HydrophobicContact CE2-CD1 3.88Å; Y163-F293 HydrophobicContact CE2-CG 4.11Å; F234-F293 HydrophobicContact CD2-CZ 4.1Å; F234-F293 HydrophobicContact CE2-CE2 4.36Å; F234-F293 AromaticContact CE2-CZ 3.93Å; F234-F293 HydrophobicContact CE2-CZ 3.93Å; F234-F293 HydrophobicContact CZ-CZ 4.39Å; F243-F293 HydrophobicContact CE2-CE2 4.09Å; F243-F293 AromaticContact CE2-CZ 3.89Å; F243-F293 HydrophobicContact CE2-CZ 3.89Å; F243-F293 HydrophobicContact CZ-CZ 4.08Å; I245-F293 HydrophobicContact CD1-CD2 4.37Å; I245-F293 HydrophobicContact CD1-CE2 4.12Å; I245-F293 HydrophobicContact CG1-CE2 4.27Å; L267-F293 VanDerWaalsContact O-CB 3.29Å; L267-F293 WeakPolarHBondContact O-CB 3.11Å; L267-F293 PolarHBondContact O-N 3.05Å; L267-F293 VanDerWaalsContact O-N 3.15Å; W268-F293 HydrophobicContact CE3-CD1 4.36Å; W268-F293 AromaticContact CE3-CD2 3.97Å; W268-F293 HydrophobicContact CE3-CD2 3.97Å; W268-F293 HydrophobicContact CE3-CE1 4.44Å; W268-F293 HydrophobicContact CE3-CE2 4.08Å; W268-F293 HydrophobicContact CE3-CG 4.11Å; W268-F293 HydrophobicContact CE3-CZ 4.31Å; W268-F293 AromaticContact CZ3-CD1 3.99Å; W268-F293 HydrophobicContact CZ3-CD1 3.99Å; W268-F293 HydrophobicContact CZ3-CD2 4.29Å; W268-F293 AromaticContact CZ3-CE1 3.8Å; W268-F293 HydrophobicContact CZ3-CE1 3.8Å; W268-F293 HydrophobicContact CZ3-CE2 4.14Å; W268-F293 HydrophobicContact CZ3-CG 4.22Å; W268-F293 AromaticContact CZ3-CZ 3.89Å; W268-F293 HydrophobicContact CZ3-CZ 3.89Å; P291-F293 PolarHBondContact O-N 2.9Å; F293-V297 HydrophobicContact CD2-CB 4.31Å; F293-V297 HydrophobicContact CD2-CG2 4.15Å; F293-V297 HydrophobicContact CE2-CB 4.29Å; F293-V297 HydrophobicContact CE2-CG1 4.31Å; F293-V297 HydrophobicContact CE2-CG2 4.25Å; F293-V297 HydrophobicContact CZ-CG1 4.31Å; F293-V297 WeakPolarHBondContact O-CA 3.42Å; F293-V297 VanDerWaalsContact O-CB 3.29Å; F293-V297 WeakPolarHBondContact O-CB 3.48Å; F293-V297 PolarHBondContact O-N 3.24Å; F293-L298 HydrophobicContact CD1-CD1 3.7Å; F293-L298 HydrophobicContact CD1-CD2 4.32Å; F293-L298 HydrophobicContact CD1-CG 3.74Å; F293-L298 HydrophobicContact CE1-CD1 3.75Å; F293-L298 HydrophobicContact CE1-CD2 3.71Å; F293-L298 HydrophobicContact CE1-CG 3.65Å; F293-L298 HydrophobicContact CZ-CD2 4.41Å; F293-L298 PolarHBondContact O-N 2.91Å; F293-L298 VanDerWaalsContact O-N 3.17Å |
| 294 | V | 89.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -68.1 | -47 | -179.1 | -173.4 | 0 | 0 | 0 | 0 | 110.4 | A159 L160 Y163 K290 P291 L292 L296 D299 | A159-V294 HydrophobicContact CB-CG1 3.87Å; L160-V294 HydrophobicContact CD1-CG2 4.17Å; Y163-V294 HydrophobicContact CD1-CG2 4.06Å; Y163-V294 HydrophobicContact CG-CG2 3.84Å; K290-V294 HydrophobicContact CB-CB 4.42Å; K290-V294 HydrophobicContact CD-CG1 3.88Å; K290-V294 HydrophobicContact CG-CG1 4.36Å; P291-V294 HydrophobicContact CB-CG2 4.26Å; P291-V294 HydrophobicContact CG-CG2 4.31Å; P291-V294 WeakPolarHBondContact O-CB 3.28Å; P291-V294 PolarHBondContact O-N 3.42Å; L292-V294 VanDerWaalsContact C-N 3.3Å; L292-V294 PolarHBondContact O-N 2.73Å; V294-L296 PolarHBondContact O-N 2.95Å; V294-D299 VanDerWaalsContact O-CB 3.29Å; V294-D299 WeakPolarHBondContact O-CB 3.39Å; V294-D299 VanDerWaalsContact O-CG 3.24Å; V294-D299 PolarHBondContact O-N 2.82Å |
| 295 | Q | 88.3 | Confident | 86.1 | Confident | 54 Ų | 54 | 43.3 Ų | 43.3 | 25% | 0.252 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -64.5 | -38.6 | -178.4 | -65.3 | -175 | 24.3 | 0 | 0 | 113.7 | K290 P291 L292 | K290-Q295 HydrophobicContact CB-CG 3.69Å; K290-Q295 PolarHBondContact O-NE2 2.96Å; P291-Q295 PolarHBondContact O-N 3.47Å; L292-Q295 PolarHBondContact O-N 3.27Å |
| 296 | L | 86.5 | Confident | 86.9 | Confident | 18 Ų | 18 | 39.7 Ų | 39.7 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -100.3 | -36 | -172.6 | -63.4 | -173.9 | 0 | 0 | 0 | 113.5 | Y252 M256 L267 L292 V294 N300 | Y252-L296 HydrophobicContact CD1-CD1 4.39Å; Y252-L296 HydrophobicContact CD2-CB 4.48Å; Y252-L296 HydrophobicContact CD2-CD1 4.3Å; Y252-L296 HydrophobicContact CE1-CD2 4.14Å; Y252-L296 HydrophobicContact CE2-CB 3.87Å; Y252-L296 HydrophobicContact CE2-CD1 4.43Å; Y252-L296 HydrophobicContact CG-CD1 4.3Å; Y252-L296 PolarHBondContact OH-O 3.46Å; M256-L296 HydrophobicContact CE-CD1 4.47Å; M256-L296 HydrophobicContact CE-CD2 4.02Å; L267-L296 HydrophobicContact CD2-CD1 4.15Å; L292-L296 HydrophobicContact CD1-CD1 3.65Å; L292-L296 HydrophobicContact CD1-CG 3.96Å; L292-L296 HydrophobicContact CG-CD1 3.96Å; L292-L296 HydrophobicContact CG-CG 4.42Å; L292-L296 WeakPolarHBondContact O-CB 3.49Å; L292-L296 PolarHBondContact O-N 3.47Å; V294-L296 PolarHBondContact O-N 2.95Å; L296-N300 PolarHBondContact O-ND2 2.89Å |
| 297 | V | 89.6 | Confident | 87.4 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -101.3 | -64.3 | -174.9 | -178.4 | 0 | 0 | 0 | 0 | 111 | F243 F248 F293 N300 I301 | F243-V297 HydrophobicContact CE1-CG1 4.07Å; F243-V297 HydrophobicContact CE2-CG1 3.73Å; F243-V297 HydrophobicContact CZ-CG1 3.45Å; F243-V297 VanDerWaalsContact CZ-CG1 3.45Å; F248-V297 HydrophobicContact CB-CG2 4.22Å; F248-V297 HydrophobicContact CD1-CG2 4.28Å; F248-V297 HydrophobicContact CD2-CB 4.48Å; F248-V297 HydrophobicContact CD2-CG1 3.93Å; F248-V297 HydrophobicContact CD2-CG2 3.75Å; F248-V297 HydrophobicContact CE2-CB 4.38Å; F248-V297 HydrophobicContact CE2-CG1 3.5Å; F248-V297 VanDerWaalsContact CE2-CG1 3.5Å; F248-V297 HydrophobicContact CE2-CG2 4.11Å; F248-V297 HydrophobicContact CG-CG2 3.83Å; F248-V297 HydrophobicContact CZ-CG1 3.95Å; F293-V297 HydrophobicContact CD2-CB 4.31Å; F293-V297 HydrophobicContact CD2-CG2 4.15Å; F293-V297 HydrophobicContact CE2-CB 4.29Å; F293-V297 HydrophobicContact CE2-CG1 4.31Å; F293-V297 HydrophobicContact CE2-CG2 4.25Å; F293-V297 HydrophobicContact CZ-CG1 4.31Å; F293-V297 WeakPolarHBondContact O-CA 3.42Å; F293-V297 VanDerWaalsContact O-CB 3.29Å; F293-V297 WeakPolarHBondContact O-CB 3.48Å; F293-V297 PolarHBondContact O-N 3.24Å; V297-N300 PolarHBondContact O-N 3.22Å; V297-I301 HydrophobicContact CG1-CD1 4.06Å; V297-I301 PolarHBondContact O-N 2.95Å |
| 298 | L | 90.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | I | π-helix | trans | -70.6 | -42.8 | -168.1 | -59.1 | -179.6 | 0 | 0 | 0 | 113.1 | M148 A159 F293 N300 I301 W302 | M148-L298 HydrophobicContact CE-CD2 3.97Å; A159-L298 HydrophobicContact CB-CB 3.79Å; A159-L298 VanDerWaalsContact O-CD1 3.27Å; A159-L298 WeakPolarHBondContact O-CD1 3.47Å; F293-L298 HydrophobicContact CD1-CD1 3.7Å; F293-L298 HydrophobicContact CD1-CD2 4.32Å; F293-L298 HydrophobicContact CD1-CG 3.74Å; F293-L298 HydrophobicContact CE1-CD1 3.75Å; F293-L298 HydrophobicContact CE1-CD2 3.71Å; F293-L298 HydrophobicContact CE1-CG 3.65Å; F293-L298 HydrophobicContact CZ-CD2 4.41Å; F293-L298 PolarHBondContact O-N 2.91Å; F293-L298 VanDerWaalsContact O-N 3.17Å; L298-N300 PolarHBondContact O-N 3.47Å; L298-I301 PolarHBondContact O-N 3.13Å; L298-I301 VanDerWaalsContact O-N 3.1Å; L298-W302 HydrophobicContact CB-CE3 4.15Å; L298-W302 HydrophobicContact CB-CZ3 4.18Å; L298-W302 HydrophobicContact CD2-CH2 4.38Å; L298-W302 HydrophobicContact CD2-CZ3 3.77Å; L298-W302 HydrophobicContact CG-CZ3 4.47Å; L298-W302 VanDerWaalsContact O-CE3 3.25Å; L298-W302 PolarHBondContact O-N 2.96Å |
| 299 | D | 91.3 | Very high | 88.1 | Confident | 50 Ų | 50 | 26.2 Ų | 26.2 | 27% | 0.267 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -57.1 | -34.4 | 177.8 | -81.5 | -10.6 | 0 | 0 | 0 | 112.1 | A159 K290 V294 S303 | A159-D299 WeakPolarHBondContact CB-OD1 3.48Å; K290-D299 IonicContact NZ-OD1 2.68Å; K290-D299 PolarHBondContact NZ-OD1 2.88Å; K290-D299 IonicContact NZ-OD2 3.96Å; K290-D299 PolarHBondContact NZ-OD2 2.87Å; V294-D299 VanDerWaalsContact O-CB 3.29Å; V294-D299 WeakPolarHBondContact O-CB 3.39Å; V294-D299 VanDerWaalsContact O-CG 3.24Å; V294-D299 PolarHBondContact O-N 2.82Å; D299-S303 VanDerWaalsContact O-CB 3.24Å; D299-S303 WeakPolarHBondContact O-CB 3.24Å; D299-S303 PolarHBondContact O-N 3.24Å |
| 300 | N | 88.9 | Confident | 87.9 | Confident | 74 Ų | 74 | 27.1 Ų | 27.1 | 40% | 0.396 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -72.1 | -40.1 | 176.9 | -77.5 | -50.9 | 0 | 0 | 0 | 112.5 | Y252 L296 V297 L298 S303 L304 | Y252-N300 PolarHBondContact OH-ND2 3.37Å; L296-N300 PolarHBondContact O-ND2 2.89Å; V297-N300 PolarHBondContact O-N 3.22Å; L298-N300 PolarHBondContact O-N 3.47Å; N300-S303 PolarHBondContact O-N 3.38Å; N300-L304 PolarHBondContact O-N 3.07Å; N300-L304 VanDerWaalsContact O-N 3.08Å |
| 301 | I | 89.8 | Confident | 87.7 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.3 | -46.6 | 176.9 | -64.1 | 170.8 | 0 | 0 | 0 | 110.1 | I152 W241 F243 V297 L298 S303 L304 Y305 W349 | I152-I301 HydrophobicContact CD1-CG2 4.07Å; W241-I301 HydrophobicContact CH2-CD1 4.47Å; W241-I301 HydrophobicContact CH2-CG2 4.38Å; W241-I301 HydrophobicContact CZ2-CG2 4.17Å; W241-I301 HydrophobicContact CZ3-CD1 4.35Å; F243-I301 HydrophobicContact CD1-CD1 4.3Å; F243-I301 HydrophobicContact CE1-CD1 3.55Å; F243-I301 HydrophobicContact CZ-CD1 4.24Å; V297-I301 HydrophobicContact CG1-CD1 4.06Å; V297-I301 PolarHBondContact O-N 2.95Å; L298-I301 PolarHBondContact O-N 3.13Å; L298-I301 VanDerWaalsContact O-N 3.1Å; I301-S303 VanDerWaalsContact C-N 3.29Å; I301-S303 PolarHBondContact O-N 2.7Å; I301-L304 WeakPolarHBondContact O-CB 3.24Å; I301-L304 PolarHBondContact O-N 3.25Å; I301-L304 VanDerWaalsContact O-N 3.08Å; I301-Y305 HydrophobicContact CG2-CD2 3.95Å; I301-Y305 HydrophobicContact CG2-CE2 3.92Å; I301-Y305 WeakPolarHBondContact O-CD2 3.36Å; I301-Y305 PolarHBondContact O-N 2.84Å; I301-W349 HydrophobicContact CG1-CH2 4.34Å; I301-W349 HydrophobicContact CG1-CZ3 4.37Å |
| 302 | W | 91.8 | Very high | 87.4 | Confident | 36 Ų | 36 | 38.2 Ų | 38.2 | 14% | 0.136 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 176.1 | -92 | -118.3 | 0 | 0 | 0 | 111.4 | M148 I152 L157 A159 A162 L298 L304 Y305 D306 | M148-W302 HydrophobicContact CE-CH2 4.04Å; M148-W302 HydrophobicContact CE-CZ3 4.11Å; I152-W302 HydrophobicContact CD1-CD2 4.25Å; I152-W302 HydrophobicContact CD1-CE3 3.93Å; I152-W302 HydrophobicContact CD1-CH2 4.1Å; I152-W302 HydrophobicContact CD1-CZ2 4.4Å; I152-W302 HydrophobicContact CD1-CZ3 3.84Å; I152-W302 HydrophobicContact CG1-CD2 4Å; I152-W302 HydrophobicContact CG1-CE3 4.08Å; I152-W302 HydrophobicContact CG1-CH2 3.69Å; I152-W302 HydrophobicContact CG1-CZ2 3.58Å; I152-W302 HydrophobicContact CG1-CZ3 3.93Å; L157-W302 PolarHBondContact O-NE1 3.11Å; A159-W302 HydrophobicContact CB-CD2 4.12Å; A159-W302 HydrophobicContact CB-CG 4.16Å; A162-W302 HydrophobicContact CB-CH2 3.65Å; A162-W302 HydrophobicContact CB-CZ2 3.41Å; A162-W302 VanDerWaalsContact CB-CZ2 3.41Å; L298-W302 HydrophobicContact CB-CE3 4.15Å; L298-W302 HydrophobicContact CB-CZ3 4.18Å; L298-W302 HydrophobicContact CD2-CH2 4.38Å; L298-W302 HydrophobicContact CD2-CZ3 3.77Å; L298-W302 HydrophobicContact CG-CZ3 4.47Å; L298-W302 VanDerWaalsContact O-CE3 3.25Å; L298-W302 PolarHBondContact O-N 2.96Å; W302-L304 VanDerWaalsContact C-N 3.33Å; W302-L304 PolarHBondContact O-N 3.49Å; W302-Y305 PolarHBondContact O-N 2.91Å; W302-D306 WeakPolarHBondContact O-CB 3.43Å; W302-D306 PolarHBondContact O-N 3.09Å |
| 303 | S | 89.4 | Confident | 87.2 | Confident | 58 Ų | 58 | 40.2 Ų | 40.2 | 41% | 0.406 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.9 | -35 | 175.3 | -172.9 | 0 | 0 | 0 | 0 | 113.1 | D299 N300 I301 A307 | D299-S303 VanDerWaalsContact O-CB 3.24Å; D299-S303 WeakPolarHBondContact O-CB 3.24Å; D299-S303 PolarHBondContact O-N 3.24Å; N300-S303 PolarHBondContact O-N 3.38Å; I301-S303 VanDerWaalsContact C-N 3.29Å; I301-S303 PolarHBondContact O-N 2.7Å; S303-A307 VanDerWaalsContact O-CB 3.24Å; S303-A307 WeakPolarHBondContact O-CB 3.47Å; S303-A307 PolarHBondContact O-N 3.22Å |
| 304 | L | 88.9 | Confident | 86.9 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.2 | -46.9 | 174.5 | 178.3 | 64 | 0 | 0 | 0 | 111.7 | N300 I301 W302 A307 V308 V320 L342 I345 W349 | N300-L304 PolarHBondContact O-N 3.07Å; N300-L304 VanDerWaalsContact O-N 3.08Å; I301-L304 WeakPolarHBondContact O-CB 3.24Å; I301-L304 PolarHBondContact O-N 3.25Å; I301-L304 VanDerWaalsContact O-N 3.08Å; W302-L304 VanDerWaalsContact C-N 3.33Å; W302-L304 PolarHBondContact O-N 3.49Å; L304-A307 PolarHBondContact O-N 3.01Å; L304-V308 HydrophobicContact CD1-CG2 3.77Å; L304-V308 HydrophobicContact CG-CG2 4.44Å; L304-V308 WeakPolarHBondContact O-CB 3.48Å; L304-V308 WeakPolarHBondContact O-CG2 3.38Å; L304-V308 PolarHBondContact O-N 3.07Å; L304-V320 HydrophobicContact CD1-CG1 4.13Å; L304-L342 HydrophobicContact CD2-CD1 4.18Å; L304-L342 HydrophobicContact CG-CD1 4.1Å; L304-I345 HydrophobicContact CD1-CD1 4.44Å; L304-I345 HydrophobicContact CD1-CG2 4.35Å; L304-I345 HydrophobicContact CD2-CG2 4.23Å; L304-W349 HydrophobicContact CD2-CE3 4.15Å; L304-W349 HydrophobicContact CD2-CZ3 3.99Å |
| 305 | Y | 89.5 | Confident | 86.6 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 176.8 | -87.8 | -99.6 | 0 | 0 | 0 | 111.9 | D149 I152 M153 D239 W241 I301 W302 A307 V308 V309 T310 L342 | D149-Y305 HydrophobicContact CB-CE1 4.24Å; I152-Y305 HydrophobicContact CB-CD1 4.49Å; I152-Y305 HydrophobicContact CD1-CD1 4.32Å; I152-Y305 HydrophobicContact CD1-CD2 3.63Å; I152-Y305 HydrophobicContact CD1-CE1 4.37Å; I152-Y305 HydrophobicContact CD1-CE2 3.68Å; I152-Y305 HydrophobicContact CD1-CG 3.97Å; I152-Y305 HydrophobicContact CG2-CD1 4Å; I152-Y305 HydrophobicContact CG2-CG 3.87Å; M153-Y305 HydrophobicContact CG-CD1 4.27Å; M153-Y305 HydrophobicContact CG-CE1 4.34Å; M153-Y305 HydrophobicContact SD-CD1 4.03Å; D239-Y305 WeakPolarHBondContact CB-OH 3.38Å; D239-Y305 WeakPolarHBondContact OD2-CE1 3.37Å; D239-Y305 PolarHBondContact OD2-OH 2.61Å; W241-Y305 HydrophobicContact CZ2-CE2 4.21Å; W241-Y305 AromaticContact NE1-CE2 3.85Å; W241-Y305 AromaticContact NE1-CZ 3.81Å; W241-Y305 PolarHBondContact NE1-OH 3Å; I301-Y305 HydrophobicContact CG2-CD2 3.95Å; I301-Y305 HydrophobicContact CG2-CE2 3.92Å; I301-Y305 WeakPolarHBondContact O-CD2 3.36Å; I301-Y305 PolarHBondContact O-N 2.84Å; W302-Y305 PolarHBondContact O-N 2.91Å; Y305-A307 PolarHBondContact O-N 2.84Å; Y305-V308 PolarHBondContact O-N 2.87Å; Y305-V309 HydrophobicContact CD1-CG2 4.38Å; Y305-V309 WeakPolarHBondContact O-CB 3.42Å; Y305-V309 PolarHBondContact O-N 3.36Å; Y305-T310 PolarHBondContact O-N 3.36Å; Y305-L342 HydrophobicContact CD1-CD2 4.07Å; Y305-L342 HydrophobicContact CE1-CD2 3.58Å; Y305-L342 HydrophobicContact CE2-CD2 4.41Å |
| 306 | D | 88.4 | Confident | 86.3 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 24% | 0.241 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -63.2 | -40.1 | 176.8 | -177.8 | 33.2 | 0 | 0 | 0 | 112.1 | W302 R311 | W302-D306 WeakPolarHBondContact O-CB 3.43Å; W302-D306 PolarHBondContact O-N 3.09Å; D306-R311 WeakPolarHBondContact O-CB 3.36Å; D306-R311 PolarHBondContact O-N 3Å; D306-R311 WeakPolarHBondContact OD1-CG 3.3Å; D306-R311 IonicContact OD1-CZ 2.67Å; D306-R311 IonicContact OD1-NE 3.93Å; D306-R311 PolarHBondContact OD1-NE 2.74Å; D306-R311 IonicContact OD1-NH2 2.65Å; D306-R311 IonicContact OD2-CZ 3.94Å; D306-R311 IonicContact OD2-NE 2.86Å; D306-R311 PolarHBondContact OD2-NE 3.1Å; D306-R311 IonicContact OD2-NH2 3.95Å; D306-R311 PolarHBondContact OD2-NH2 2.85Å |
| 307 | A | 86.6 | Confident | 86.1 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -69 | -45 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S303 L304 Y305 R312 D313 K316 V317 | S303-A307 VanDerWaalsContact O-CB 3.24Å; S303-A307 WeakPolarHBondContact O-CB 3.47Å; S303-A307 PolarHBondContact O-N 3.22Å; L304-A307 PolarHBondContact O-N 3.01Å; Y305-A307 PolarHBondContact O-N 2.84Å; A307-R312 CarbonylContact O-C 3.49Å; A307-R312 VanDerWaalsContact O-CA 3.28Å; A307-R312 WeakPolarHBondContact O-CA 3.31Å; A307-R312 PolarHBondContact O-N 2.88Å; A307-R312 VanDerWaalsContact O-N 3.09Å; A307-D313 PolarHBondContact O-N 2.78Å; A307-K316 HydrophobicContact CB-CB 4.15Å; A307-V317 HydrophobicContact CB-CG2 4.18Å |
| 308 | V | 85.9 | Confident | 85.8 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 4% | 0.036 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -82.3 | -47.6 | -173.8 | 176.3 | 0 | 0 | 0 | 0 | 112.3 | L304 Y305 V317 P338 L342 I345 | L304-V308 HydrophobicContact CD1-CG2 3.77Å; L304-V308 HydrophobicContact CG-CG2 4.44Å; L304-V308 WeakPolarHBondContact O-CB 3.48Å; L304-V308 WeakPolarHBondContact O-CG2 3.38Å; L304-V308 PolarHBondContact O-N 3.07Å; Y305-V308 PolarHBondContact O-N 2.87Å; V308-V317 HydrophobicContact CG2-CG2 3.66Å; V308-P338 HydrophobicContact CG1-CB 4.22Å; V308-L342 HydrophobicContact CG1-CB 4.08Å; V308-L342 HydrophobicContact CG1-CD1 4.5Å; V308-I345 HydrophobicContact CG2-CD1 4.19Å |
| 309 | V | 83.2 | Confident | 85.5 | Confident | 25 Ų | 25 | 66.9 Ų | 66.9 | 15% | 0.152 | 31% | 0.314 | C | S | . | . | I | π-helix | trans | -96 | -52.2 | -168.6 | -171 | 0 | 0 | 0 | 0 | 111.3 | M153 Y305 L342 | M153-V309 HydrophobicContact CE-CG1 3.74Å; M153-V309 HydrophobicContact SD-CB 4.47Å; M153-V309 HydrophobicContact SD-CG1 4.1Å; Y305-V309 HydrophobicContact CD1-CG2 4.38Å; Y305-V309 WeakPolarHBondContact O-CB 3.42Å; Y305-V309 PolarHBondContact O-N 3.36Å; V309-L342 HydrophobicContact CG2-CD2 4.15Å |
| 310 | T | 80.6 | Confident | 85.1 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 60% | 0.601 | 31% | 0.311 | S | S | * | . | I | π-helix | trans | -75.4 | -55.8 | -172.5 | -51 | 0 | 0 | 0 | 0 | 112.4 | Y305 | Y305-T310 PolarHBondContact O-N 3.36Å |
| 311 | R | 81 | Confident | 84.7 | Confident | 159 Ų | 159 | 63.5 Ų | 63.5 | 60% | 0.6 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -98 | -16.6 | -174.4 | -55.4 | -173.9 | -154 | -143.3 | 12.4 | 114.2 | D306 D313 | D306-R311 WeakPolarHBondContact O-CB 3.36Å; D306-R311 PolarHBondContact O-N 3Å; D306-R311 WeakPolarHBondContact OD1-CG 3.3Å; D306-R311 IonicContact OD1-CZ 2.67Å; D306-R311 IonicContact OD1-NE 3.93Å; D306-R311 PolarHBondContact OD1-NE 2.74Å; D306-R311 IonicContact OD1-NH2 2.65Å; D306-R311 IonicContact OD2-CZ 3.94Å; D306-R311 IonicContact OD2-NE 2.86Å; D306-R311 PolarHBondContact OD2-NE 3.1Å; D306-R311 IonicContact OD2-NH2 3.95Å; D306-R311 PolarHBondContact OD2-NH2 2.85Å; R311-D313 HydrophobicContact CB-CB 4.43Å; R311-D313 PolarHBondContact O-N 3.26Å |
| 312 | R | 80.8 | Confident | 84.4 | Confident | 162 Ų | 162 | 68.8 Ų | 68.8 | 61% | 0.611 | 33% | 0.33 | S | S | * | . | trans | 51.8 | 36.7 | -178.1 | -54.8 | -176.4 | -179.5 | -161.6 | 0.2 | 113.3 | A307 K314 | A307-R312 CarbonylContact O-C 3.49Å; A307-R312 VanDerWaalsContact O-CA 3.28Å; A307-R312 WeakPolarHBondContact O-CA 3.31Å; A307-R312 PolarHBondContact O-N 2.88Å; A307-R312 VanDerWaalsContact O-N 3.09Å; R312-K314 PolarHBondContact O-N 3.48Å; R312-K314 VanDerWaalsContact O-N 3.15Å | ||
| 313 | D | 82.3 | Confident | 83.9 | Confident | 44 Ų | 44 | 70.3 Ų | 70.3 | 24% | 0.235 | 35% | 0.346 | C | S | . | . | trans | -82.4 | 93.2 | -172 | -174.8 | -27.1 | 0 | 0 | 0 | 111 | A307 R311 Q315 K316 V317 | A307-D313 PolarHBondContact O-N 2.78Å; R311-D313 HydrophobicContact CB-CB 4.43Å; R311-D313 PolarHBondContact O-N 3.26Å; D313-Q315 VanDerWaalsContact C-N 3.25Å; D313-Q315 PolarHBondContact O-N 3.02Å; D313-Q315 PolarHBondContact OD1-N 3.34Å; D313-Q315 VanDerWaalsContact OD1-N 3.11Å; D313-K316 HydrophobicContact CB-CB 4.11Å; D313-K316 HydrophobicContact CB-CD 4.33Å; D313-K316 HydrophobicContact CB-CG 4.29Å; D313-K316 PolarHBondContact O-N 2.78Å; D313-K316 VanDerWaalsContact O-N 3.13Å; D313-K316 PolarHBondContact OD1-N 3.02Å; D313-K316 WeakPolarHBondContact OD2-CD 3.11Å; D313-K316 WeakPolarHBondContact OD2-CE 3.4Å; D313-K316 WeakPolarHBondContact OD2-CG 3.25Å; D313-K316 IonicContact OD2-NZ 2.77Å; D313-K316 PolarHBondContact OD2-NZ 2.66Å; D313-V317 WeakPolarHBondContact O-CG2 3.35Å; D313-V317 PolarHBondContact O-N 3.15Å | ||
| 314 | K | 80.9 | Confident | 83.3 | Confident | 152 Ų | 152 | 70 Ų | 70 | 66% | 0.661 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -55.3 | -37.4 | -179.4 | -64.3 | -173.1 | 178.2 | -175 | 0 | 113.2 | R312 V317 E318 | R312-K314 PolarHBondContact O-N 3.48Å; R312-K314 VanDerWaalsContact O-N 3.15Å; K314-V317 PolarHBondContact O-N 2.72Å; K314-E318 WeakPolarHBondContact O-CB 3.17Å; K314-E318 WeakPolarHBondContact O-CG 3.19Å; K314-E318 PolarHBondContact O-N 2.95Å |
| 315 | Q | 83.8 | Confident | 82.8 | Confident | 133 Ų | 133 | 72.7 Ų | 72.7 | 62% | 0.621 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -70.7 | -34.1 | -179.5 | -65.1 | -172.1 | 3.9 | 0 | 0 | 112.2 | D313 K319 | D313-Q315 VanDerWaalsContact C-N 3.25Å; D313-Q315 PolarHBondContact O-N 3.02Å; D313-Q315 PolarHBondContact OD1-N 3.34Å; D313-Q315 VanDerWaalsContact OD1-N 3.11Å; Q315-K319 WeakPolarHBondContact O-CD 3.46Å; Q315-K319 VanDerWaalsContact O-CG 3.22Å; Q315-K319 WeakPolarHBondContact O-CG 3.43Å; Q315-K319 PolarHBondContact O-N 3.49Å |
| 316 | K | 83.3 | Confident | 82.4 | Confident | 95 Ų | 95 | 73.5 Ų | 73.5 | 41% | 0.413 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70 | -42.2 | 170.2 | -73.3 | -173.1 | -173.1 | 94.6 | 0 | 111.4 | A307 D313 E318 K319 V320 | A307-K316 HydrophobicContact CB-CB 4.15Å; D313-K316 HydrophobicContact CB-CB 4.11Å; D313-K316 HydrophobicContact CB-CD 4.33Å; D313-K316 HydrophobicContact CB-CG 4.29Å; D313-K316 PolarHBondContact O-N 2.78Å; D313-K316 VanDerWaalsContact O-N 3.13Å; D313-K316 PolarHBondContact OD1-N 3.02Å; D313-K316 WeakPolarHBondContact OD2-CD 3.11Å; D313-K316 WeakPolarHBondContact OD2-CE 3.4Å; D313-K316 WeakPolarHBondContact OD2-CG 3.25Å; D313-K316 IonicContact OD2-NZ 2.77Å; D313-K316 PolarHBondContact OD2-NZ 2.66Å; K316-E318 PolarHBondContact O-N 2.98Å; K316-K319 PolarHBondContact O-N 3.38Å; K316-V320 WeakPolarHBondContact O-CG2 3.47Å; K316-V320 PolarHBondContact O-N 3.38Å |
| 317 | V | 82.6 | Confident | 82 | Confident | 8 Ų | 8 | 79.9 Ų | 79.9 | 5% | 0.048 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 177.7 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | A307 V308 D313 K314 K319 V320 M321 I345 | A307-V317 HydrophobicContact CB-CG2 4.18Å; V308-V317 HydrophobicContact CG2-CG2 3.66Å; D313-V317 WeakPolarHBondContact O-CG2 3.35Å; D313-V317 PolarHBondContact O-N 3.15Å; K314-V317 PolarHBondContact O-N 2.72Å; V317-K319 PolarHBondContact O-N 3.33Å; V317-V320 PolarHBondContact O-N 3.43Å; V317-M321 HydrophobicContact CG1-CE 3.7Å; V317-M321 HydrophobicContact CG1-CG 4.46Å; V317-M321 HydrophobicContact CG1-SD 4.24Å; V317-M321 WeakPolarHBondContact O-CG 3.48Å; V317-M321 PolarHBondContact O-N 2.79Å; V317-I345 HydrophobicContact CG1-CD1 4.27Å |
| 318 | E | 82.6 | Confident | 81.6 | Confident | 109 Ų | 109 | 80.7 Ų | 80.7 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 175.3 | -73.7 | 168.1 | -177.8 | 0 | 0 | 112.6 | K314 K316 M321 T322 | K314-E318 WeakPolarHBondContact O-CB 3.17Å; K314-E318 WeakPolarHBondContact O-CG 3.19Å; K314-E318 PolarHBondContact O-N 2.95Å; K316-E318 PolarHBondContact O-N 2.98Å; E318-M321 PolarHBondContact O-N 3.24Å; E318-T322 WeakPolarHBondContact O-CB 3.36Å; E318-T322 PolarHBondContact O-N 2.88Å; E318-T322 PolarHBondContact O-OG1 3.25Å |
| 319 | K | 84.6 | Confident | 81.3 | Confident | 137 Ų | 137 | 86.6 Ų | 86.6 | 60% | 0.596 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.2 | -38.7 | 174.5 | -73.1 | 167.1 | -173.5 | 171.3 | 0 | 112.4 | Q315 K316 V317 T322 S323 | Q315-K319 WeakPolarHBondContact O-CD 3.46Å; Q315-K319 VanDerWaalsContact O-CG 3.22Å; Q315-K319 WeakPolarHBondContact O-CG 3.43Å; Q315-K319 PolarHBondContact O-N 3.49Å; K316-K319 PolarHBondContact O-N 3.38Å; V317-K319 PolarHBondContact O-N 3.33Å; K319-T322 PolarHBondContact O-N 2.66Å; K319-S323 PolarHBondContact O-N 2.7Å; K319-S323 PolarHBondContact O-OG 3.16Å |
| 320 | V | 81.1 | Confident | 80.9 | Confident | 34 Ų | 34 | 90.4 Ų | 90.4 | 21% | 0.206 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -71.3 | -42.1 | 176.3 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | L304 K316 V317 T322 S323 L324 | L304-V320 HydrophobicContact CD1-CG1 4.13Å; K316-V320 WeakPolarHBondContact O-CG2 3.47Å; K316-V320 PolarHBondContact O-N 3.38Å; V317-V320 PolarHBondContact O-N 3.43Å; V320-T322 PolarHBondContact O-N 3.07Å; V320-S323 PolarHBondContact O-N 2.86Å; V320-S323 PolarHBondContact O-OG 3.08Å; V320-L324 HydrophobicContact CG1-CD1 3.66Å; V320-L324 HydrophobicContact CG1-CG 4.25Å; V320-L324 WeakPolarHBondContact O-CB 3.47Å; V320-L324 VanDerWaalsContact O-CG 3.29Å; V320-L324 WeakPolarHBondContact O-CG 3.25Å; V320-L324 PolarHBondContact O-N 2.78Å |
| 321 | M | 81.6 | Confident | 80.7 | Confident | 19 Ų | 19 | 94.2 Ų | 94.2 | 9% | 0.094 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -56.3 | -41.8 | 170.9 | -73 | 177.2 | 174.7 | 0 | 0 | 111.3 | V317 E318 G325 I326 V328 L333 L341 I345 | V317-M321 HydrophobicContact CG1-CE 3.7Å; V317-M321 HydrophobicContact CG1-CG 4.46Å; V317-M321 HydrophobicContact CG1-SD 4.24Å; V317-M321 WeakPolarHBondContact O-CG 3.48Å; V317-M321 PolarHBondContact O-N 2.79Å; E318-M321 PolarHBondContact O-N 3.24Å; M321-G325 PolarHBondContact O-N 2.72Å; M321-I326 PolarHBondContact O-N 3.35Å; M321-V328 HydrophobicContact CE-CB 3.9Å; M321-V328 HydrophobicContact CE-CG2 3.61Å; M321-V328 HydrophobicContact SD-CG2 4.46Å; M321-L333 HydrophobicContact CE-CD2 3.94Å; M321-L333 HydrophobicContact SD-CD2 4.41Å; M321-L341 HydrophobicContact CE-CD1 4.09Å; M321-I345 HydrophobicContact CE-CD1 3.68Å; M321-I345 HydrophobicContact CE-CG1 3.71Å |
| 322 | T | 83.4 | Confident | 80.6 | Confident | 115 Ų | 115 | 87.8 Ų | 87.8 | 71% | 0.706 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -67.9 | -41.4 | 178.4 | -53.9 | 0 | 0 | 0 | 0 | 112.5 | E318 K319 V320 L324 G325 | E318-T322 WeakPolarHBondContact O-CB 3.36Å; E318-T322 PolarHBondContact O-N 2.88Å; E318-T322 PolarHBondContact O-OG1 3.25Å; K319-T322 PolarHBondContact O-N 2.66Å; V320-T322 PolarHBondContact O-N 3.07Å; T322-L324 VanDerWaalsContact C-N 3.32Å; T322-L324 PolarHBondContact O-N 2.95Å; T322-G325 PolarHBondContact O-N 2.79Å |
| 323 | S | 80.9 | Confident | 80.5 | Confident | 69 Ų | 69 | 82.9 Ų | 82.9 | 48% | 0.483 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -78.2 | -13.9 | -179.5 | 70.6 | 0 | 0 | 0 | 0 | 114.7 | R255 K319 V320 | R255-S323 PolarHBondContact NH2-O 3.17Å; R255-S323 VanDerWaalsContact NH2-O 3.1Å; K319-S323 PolarHBondContact O-N 2.7Å; K319-S323 PolarHBondContact O-OG 3.16Å; V320-S323 PolarHBondContact O-N 2.86Å; V320-S323 PolarHBondContact O-OG 3.08Å |
| 324 | L | 76.4 | Confident | 80.2 | Confident | 51 Ų | 51 | 90.9 Ų | 90.9 | 27% | 0.267 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -102.9 | -12.3 | 172.7 | -61.2 | 178.6 | 0 | 0 | 0 | 113.5 | V320 T322 I326 W349 | V320-L324 HydrophobicContact CG1-CD1 3.66Å; V320-L324 HydrophobicContact CG1-CG 4.25Å; V320-L324 WeakPolarHBondContact O-CB 3.47Å; V320-L324 VanDerWaalsContact O-CG 3.29Å; V320-L324 WeakPolarHBondContact O-CG 3.25Å; V320-L324 PolarHBondContact O-N 2.78Å; T322-L324 VanDerWaalsContact C-N 3.32Å; T322-L324 PolarHBondContact O-N 2.95Å; L324-I326 HydrophobicContact CB-CD1 3.56Å; L324-I326 HydrophobicContact CB-CG1 3.73Å; L324-I326 HydrophobicContact CD1-CD1 3.72Å; L324-I326 HydrophobicContact CG-CD1 4.3Å; L324-W349 HydrophobicContact CD1-CD2 3.77Å; L324-W349 HydrophobicContact CD1-CE3 4.02Å; L324-W349 HydrophobicContact CD1-CG 4.26Å; L324-W349 HydrophobicContact CD1-CH2 4.34Å; L324-W349 HydrophobicContact CD1-CZ2 4.11Å; L324-W349 HydrophobicContact CD1-CZ3 4.29Å; L324-W349 HydrophobicContact CD2-CZ2 3.8Å |
| 325 | G | 79.2 | Confident | 80.1 | Confident | 61 Ų | 61 | 87.9 Ų | 87.9 | 63% | 0.629 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 18.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | M321 T322 | M321-G325 PolarHBondContact O-N 2.72Å; T322-G325 PolarHBondContact O-N 2.79Å |
| 326 | I | 81.9 | Confident | 79.8 | Confident | 20 Ų | 20 | 86.3 Ų | 86.3 | 10% | 0.103 | 44% | 0.44 | C | S | . | . | trans | -85.1 | 141.8 | -168.8 | -58.3 | 171.6 | 0 | 0 | 0 | 111.1 | M321 L324 V328 I345 Q348 W349 | M321-I326 PolarHBondContact O-N 3.35Å; L324-I326 HydrophobicContact CB-CD1 3.56Å; L324-I326 HydrophobicContact CB-CG1 3.73Å; L324-I326 HydrophobicContact CD1-CD1 3.72Å; L324-I326 HydrophobicContact CG-CD1 4.3Å; I326-V328 HydrophobicContact CG2-CG2 3.89Å; I326-I345 HydrophobicContact CD1-CG2 3.85Å; I326-Q348 HydrophobicContact CG2-CB 3.95Å; I326-W349 HydrophobicContact CD1-CB 3.73Å; I326-W349 HydrophobicContact CD1-CG 4.04Å | ||
| 327 | K | 80 | Confident | 79.7 | Confident | 179 Ų | 179 | 85.9 Ų | 85.9 | 78% | 0.778 | 44% | 0.443 | S | S | * | . | trans | -123.2 | 87 | 179 | -68.6 | -174.8 | -178.7 | 178.2 | 0 | 111.4 | Q348 | K327-Q348 VanDerWaalsContact N-OE1 3.16Å; K327-Q348 PolarHBondContact O-NE2 3.19Å; K327-Q348 PolarHBondContact O-OE1 2.72Å | ||
| 328 | V | 77.8 | Confident | 79.7 | Confident | 18 Ų | 18 | 86.8 Ų | 86.8 | 11% | 0.109 | 45% | 0.449 | C | S | . | . | trans | -79.7 | 144.7 | 176.2 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | M321 I326 D332 L333 L341 A344 I345 | M321-V328 HydrophobicContact CE-CB 3.9Å; M321-V328 HydrophobicContact CE-CG2 3.61Å; M321-V328 HydrophobicContact SD-CG2 4.46Å; I326-V328 HydrophobicContact CG2-CG2 3.89Å; V328-D332 HydrophobicContact CG1-CB 4.15Å; V328-L333 HydrophobicContact CB-CD1 4.44Å; V328-L333 HydrophobicContact CG1-CG 4.19Å; V328-L341 HydrophobicContact CG1-CD1 4.02Å; V328-A344 HydrophobicContact CG1-CB 4.23Å; V328-I345 HydrophobicContact CG2-CG1 3.85Å | ||
| 329 | M | 78.9 | Confident | 79.7 | Confident | 131 Ų | 131 | 86.7 Ų | 86.7 | 65% | 0.645 | 45% | 0.446 | S | S | * | . | trans | -69.1 | 142.2 | 178.6 | -68.1 | -68.1 | 178.9 | 0 | 0 | 111.9 | R331 D332 L333 | M329-R331 PolarHBondContact O-N 3.43Å; M329-R331 VanDerWaalsContact O-N 3.09Å; M329-D332 PolarHBondContact O-N 2.79Å; M329-L333 PolarHBondContact O-N 2.89Å | ||
| 330 | T | 75.8 | Confident | 79.6 | Confident | 104 Ų | 104 | 82.4 Ų | 82.4 | 64% | 0.638 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.2 | -179.6 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | R334 | T330-R334 WeakPolarHBondContact O-CD 3.25Å; T330-R334 VanDerWaalsContact O-CG 3.27Å; T330-R334 WeakPolarHBondContact O-CG 3.44Å |
| 331 | R | 76.6 | Confident | 79.8 | Confident | 179 Ų | 179 | 82 Ų | 82 | 68% | 0.675 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -46.3 | 170.6 | 179.1 | 175.2 | 178 | 163.5 | 1 | 111.9 | M329 R334 H335 | M329-R331 PolarHBondContact O-N 3.43Å; M329-R331 VanDerWaalsContact O-N 3.09Å; R331-R334 PolarHBondContact O-N 2.77Å; R331-R334 VanDerWaalsContact O-N 3.17Å; R331-H335 PolarHBondContact O-N 2.81Å |
| 332 | D | 78.7 | Confident | 80 | Confident | 23 Ų | 23 | 81.2 Ų | 81.2 | 12% | 0.123 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -78 | -32.3 | -172 | -51.1 | -40.7 | 0 | 0 | 0 | 110.4 | R49 V328 M329 R334 H335 A344 | R49-D332 IonicContact NH2-OD1 3.94Å; R49-D332 PolarHBondContact NH2-OD1 2.87Å; R49-D332 IonicContact NH2-OD2 3.07Å; V328-D332 HydrophobicContact CG1-CB 4.15Å; M329-D332 PolarHBondContact O-N 2.79Å; D332-R334 PolarHBondContact O-N 2.83Å; D332-H335 WeakPolarHBondContact O-CB 3.45Å; D332-H335 PolarHBondContact O-N 3.14Å; D332-H335 VanDerWaalsContact O-N 3.12Å; D332-A344 HydrophobicContact CB-CB 4.44Å |
| 333 | L | 77.6 | Confident | 80.1 | Confident | 59 Ų | 59 | 77.7 Ų | 77.7 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -60.4 | -16.6 | 166 | -85.3 | 160.3 | 0 | 0 | 0 | 115 | M321 V328 M329 L341 | M321-L333 HydrophobicContact CE-CD2 3.94Å; M321-L333 HydrophobicContact SD-CD2 4.41Å; V328-L333 HydrophobicContact CB-CD1 4.44Å; V328-L333 HydrophobicContact CG1-CG 4.19Å; M329-L333 PolarHBondContact O-N 2.89Å; L333-L341 HydrophobicContact CD2-CD1 4.08Å; L333-L341 HydrophobicContact CG-CD1 4.22Å |
| 334 | R | 76.5 | Confident | 80.3 | Confident | 213 Ų | 213 | 75.3 Ų | 75.3 | 80% | 0.804 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -105 | 1.4 | 177 | -69.2 | 175.6 | -176.3 | -165.9 | 2.1 | 113 | T330 R331 D332 | T330-R334 WeakPolarHBondContact O-CD 3.25Å; T330-R334 VanDerWaalsContact O-CG 3.27Å; T330-R334 WeakPolarHBondContact O-CG 3.44Å; R331-R334 PolarHBondContact O-N 2.77Å; R331-R334 VanDerWaalsContact O-N 3.17Å; D332-R334 PolarHBondContact O-N 2.83Å |
| 335 | H | 79.1 | Confident | 80.8 | Confident | 88 Ų | 88 | 73 Ų | 73 | 41% | 0.407 | 37% | 0.372 | S | S | . | . | trans | -69.2 | 146.3 | -179.2 | -154.8 | -100.1 | 0 | 0 | 0 | 111.4 | R331 D332 D337 | R331-H335 PolarHBondContact O-N 2.81Å; D332-H335 WeakPolarHBondContact O-CB 3.45Å; D332-H335 PolarHBondContact O-N 3.14Å; D332-H335 VanDerWaalsContact O-N 3.12Å; H335-D337 IonicContact CE1-OD2 2.71Å; H335-D337 PolarHBondContact CE1-OD2 2.79Å; H335-D337 PolarHBondContact ND1-N 2.85Å; H335-D337 IonicContact ND1-OD2 3.46Å | ||
| 336 | S | 76.9 | Confident | 81.1 | Confident | 101 Ų | 101 | 70.2 Ų | 70.2 | 71% | 0.706 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -67.1 | -40.4 | 178.5 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | P338 | S336-P338 WeakPolarHBondContact O-CD 3.25Š|
| 337 | D | 80.8 | Confident | 81.2 | Confident | 86 Ų | 86 | 71.6 Ų | 71.6 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | trans | -86.4 | 117.3 | -172.5 | -51.9 | -39.4 | 0 | 0 | 0 | 111.7 | H335 K339 V340 | H335-D337 IonicContact CE1-OD2 2.71Å; H335-D337 PolarHBondContact CE1-OD2 2.79Å; H335-D337 PolarHBondContact ND1-N 2.85Å; H335-D337 IonicContact ND1-OD2 3.46Å; D337-K339 PolarHBondContact O-N 3.18Å; D337-V340 HydrophobicContact CB-CG2 4.15Å; D337-V340 PolarHBondContact O-N 2.74Å; D337-V340 VanDerWaalsContact O-N 3.12Å | ||
| 338 | P | 82.4 | Confident | 81.4 | Confident | 27 Ų | 27 | 67.8 Ų | 67.8 | 18% | 0.175 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.6 | -24.8 | -177.5 | 26.2 | -34.3 | 0 | 0 | 0 | 112.7 | V308 S336 V340 L341 L342 | V308-P338 HydrophobicContact CG1-CB 4.22Å; S336-P338 WeakPolarHBondContact O-CD 3.25Å; P338-V340 VanDerWaalsContact C-N 3.3Å; P338-V340 PolarHBondContact O-N 2.88Å; P338-L341 PolarHBondContact O-N 3.24Å; P338-L342 WeakPolarHBondContact O-CB 3.19Å; P338-L342 PolarHBondContact O-N 3.16Å |
| 339 | K | 82.5 | Confident | 81.8 | Confident | 106 Ų | 106 | 68.8 Ų | 68.8 | 46% | 0.461 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.4 | -33.3 | 174.5 | -70.3 | -156.9 | 172.9 | -153.1 | 0 | 113 | D337 L342 F343 | D337-K339 PolarHBondContact O-N 3.18Å; K339-L342 PolarHBondContact O-N 3.22Å; K339-F343 VanDerWaalsContact O-CB 3.25Å; K339-F343 WeakPolarHBondContact O-CB 3.29Å; K339-F343 PolarHBondContact O-N 2.83Å |
| 340 | V | 83.4 | Confident | 82.3 | Confident | 48 Ų | 48 | 62.7 Ų | 62.7 | 29% | 0.291 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.6 | -38.6 | 177.5 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | D337 P338 A344 | D337-V340 HydrophobicContact CB-CG2 4.15Å; D337-V340 PolarHBondContact O-N 2.74Å; D337-V340 VanDerWaalsContact O-N 3.12Å; P338-V340 VanDerWaalsContact C-N 3.3Å; P338-V340 PolarHBondContact O-N 2.88Å; V340-A344 WeakPolarHBondContact O-CB 3.35Å; V340-A344 PolarHBondContact O-N 3.2Å; V340-A344 VanDerWaalsContact O-N 3.08Å |
| 341 | L | 85.4 | Confident | 82.9 | Confident | 26 Ų | 26 | 59.4 Ų | 59.4 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 173.2 | 178.4 | 58.3 | 0 | 0 | 0 | 111.5 | M321 V328 L333 P338 A344 I345 | M321-L341 HydrophobicContact CE-CD1 4.09Å; V328-L341 HydrophobicContact CG1-CD1 4.02Å; L333-L341 HydrophobicContact CD2-CD1 4.08Å; L333-L341 HydrophobicContact CG-CD1 4.22Å; P338-L341 PolarHBondContact O-N 3.24Å; L341-A344 PolarHBondContact O-N 2.96Å; L341-I345 HydrophobicContact CD1-CD1 4.19Å; L341-I345 HydrophobicContact CD1-CG1 4.44Å; L341-I345 HydrophobicContact CG-CD1 4.08Å; L341-I345 VanDerWaalsContact O-CG1 3.3Å; L341-I345 WeakPolarHBondContact O-CG1 3.11Å; L341-I345 PolarHBondContact O-N 3.34Å |
| 342 | L | 85.9 | Confident | 83.5 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.6 | -54 | 175 | -175.7 | 65.1 | 0 | 0 | 0 | 110.8 | D239 L304 Y305 V308 V309 P338 K339 A344 I345 C346 | D239-L342 HydrophobicContact CB-CD2 4.25Å; L304-L342 HydrophobicContact CD2-CD1 4.18Å; L304-L342 HydrophobicContact CG-CD1 4.1Å; Y305-L342 HydrophobicContact CD1-CD2 4.07Å; Y305-L342 HydrophobicContact CE1-CD2 3.58Å; Y305-L342 HydrophobicContact CE2-CD2 4.41Å; V308-L342 HydrophobicContact CG1-CB 4.08Å; V308-L342 HydrophobicContact CG1-CD1 4.5Å; V309-L342 HydrophobicContact CG2-CD2 4.15Å; P338-L342 WeakPolarHBondContact O-CB 3.19Å; P338-L342 PolarHBondContact O-N 3.16Å; K339-L342 PolarHBondContact O-N 3.22Å; L342-A344 VanDerWaalsContact C-N 3.26Å; L342-A344 PolarHBondContact O-N 2.84Å; L342-I345 WeakPolarHBondContact O-CB 3.27Å; L342-I345 PolarHBondContact O-N 2.97Å; L342-C346 VanDerWaalsContact O-CB 3.25Å; L342-C346 WeakPolarHBondContact O-CB 3.37Å; L342-C346 PolarHBondContact O-N 3.04Å; L342-C346 PolarHBondContact O-SG 3.21Å; L342-C346 VanDerWaalsContact O-SG 3.37Å |
| 343 | F | 85.4 | Confident | 84 | Confident | 41 Ų | 41 | 50 Ų | 50 | 18% | 0.18 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.2 | -38.6 | 177.2 | -176.6 | -95.2 | 0 | 0 | 0 | 112.7 | S48 K339 N347 | S48-F343 VanDerWaalsContact O-CE1 3.3Å; S48-F343 WeakPolarHBondContact O-CE1 3.36Å; S48-F343 WeakPolarHBondContact O-CZ 3.35Å; K339-F343 VanDerWaalsContact O-CB 3.25Å; K339-F343 WeakPolarHBondContact O-CB 3.29Å; K339-F343 PolarHBondContact O-N 2.83Å; F343-N347 WeakPolarHBondContact CD1-ND2 3.48Å; F343-N347 WeakPolarHBondContact CD2-ND2 3.23Å; F343-N347 WeakPolarHBondContact CE1-ND2 3.39Å; F343-N347 WeakPolarHBondContact CE2-ND2 3.42Å; F343-N347 WeakPolarHBondContact CG-ND2 3.34Å; F343-N347 WeakPolarHBondContact CZ-ND2 3.49Å; F343-N347 WeakPolarHBondContact O-CB 3.22Å; F343-N347 PolarHBondContact O-N 2.84Å; F343-N347 PolarHBondContact O-ND2 3.2Å |
| 344 | A | 84.2 | Confident | 84.5 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.1 | -35.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V328 D332 V340 L341 L342 | V328-A344 HydrophobicContact CG1-CB 4.23Å; D332-A344 HydrophobicContact CB-CB 4.44Å; V340-A344 WeakPolarHBondContact O-CB 3.35Å; V340-A344 PolarHBondContact O-N 3.2Å; V340-A344 VanDerWaalsContact O-N 3.08Å; L341-A344 PolarHBondContact O-N 2.96Å; L342-A344 VanDerWaalsContact C-N 3.26Å; L342-A344 PolarHBondContact O-N 2.84Å |
| 345 | I | 87.2 | Confident | 85.1 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.7 | -50.4 | 172.9 | -64.5 | 162.3 | 0 | 0 | 0 | 109.8 | L304 V308 V317 M321 I326 V328 L341 L342 N347 Q348 W349 | L304-I345 HydrophobicContact CD1-CD1 4.44Å; L304-I345 HydrophobicContact CD1-CG2 4.35Å; L304-I345 HydrophobicContact CD2-CG2 4.23Å; V308-I345 HydrophobicContact CG2-CD1 4.19Å; V317-I345 HydrophobicContact CG1-CD1 4.27Å; M321-I345 HydrophobicContact CE-CD1 3.68Å; M321-I345 HydrophobicContact CE-CG1 3.71Å; I326-I345 HydrophobicContact CD1-CG2 3.85Å; V328-I345 HydrophobicContact CG2-CG1 3.85Å; L341-I345 HydrophobicContact CD1-CD1 4.19Å; L341-I345 HydrophobicContact CD1-CG1 4.44Å; L341-I345 HydrophobicContact CG-CD1 4.08Å; L341-I345 VanDerWaalsContact O-CG1 3.3Å; L341-I345 WeakPolarHBondContact O-CG1 3.11Å; L341-I345 PolarHBondContact O-N 3.34Å; L342-I345 WeakPolarHBondContact O-CB 3.27Å; L342-I345 PolarHBondContact O-N 2.97Å; I345-N347 PolarHBondContact O-N 3.12Å; I345-Q348 PolarHBondContact O-N 3.32Å; I345-Q348 VanDerWaalsContact O-N 3.14Å; I345-W349 WeakPolarHBondContact O-CB 3.46Å; I345-W349 PolarHBondContact O-N 3.28Å |
| 346 | C | 86.5 | Confident | 85.7 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.9 | -45.1 | -175.2 | -78.7 | 0 | 0 | 0 | 0 | 113 | D239 W241 L342 Q348 W349 L350 | D239-C346 WeakPolarHBondContact O-CB 3.17Å; W241-C346 HydrophobicContact CB-CB 3.87Å; W241-C346 HydrophobicContact CG-CB 4.2Å; L342-C346 VanDerWaalsContact O-CB 3.25Å; L342-C346 WeakPolarHBondContact O-CB 3.37Å; L342-C346 PolarHBondContact O-N 3.04Å; L342-C346 PolarHBondContact O-SG 3.21Å; L342-C346 VanDerWaalsContact O-SG 3.37Å; C346-Q348 VanDerWaalsContact C-N 3.31Å; C346-Q348 PolarHBondContact O-N 3.12Å; C346-W349 PolarHBondContact O-N 3.34Å; C346-L350 CarbonylContact O-C 3.56Å; C346-L350 PolarHBondContact O-N 3.26Å |
| 347 | N | 83.9 | Confident | 86.3 | Confident | 49 Ų | 49 | 33.8 Ų | 33.8 | 26% | 0.262 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.2 | -29.6 | 174.8 | -83.8 | -83.3 | 0 | 0 | 0 | 113.7 | F343 I345 P351 | F343-N347 WeakPolarHBondContact CD1-ND2 3.48Å; F343-N347 WeakPolarHBondContact CD2-ND2 3.23Å; F343-N347 WeakPolarHBondContact CE1-ND2 3.39Å; F343-N347 WeakPolarHBondContact CE2-ND2 3.42Å; F343-N347 WeakPolarHBondContact CG-ND2 3.34Å; F343-N347 WeakPolarHBondContact CZ-ND2 3.49Å; F343-N347 WeakPolarHBondContact O-CB 3.22Å; F343-N347 PolarHBondContact O-N 2.84Å; F343-N347 PolarHBondContact O-ND2 3.2Å; I345-N347 PolarHBondContact O-N 3.12Å; N347-P351 WeakPolarHBondContact O-CB 3.34Å; N347-P351 WeakPolarHBondContact O-CD 3.39Å |
| 348 | Q | 84.9 | Confident | 86.8 | Confident | 100 Ų | 100 | 30.9 Ų | 30.9 | 47% | 0.467 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -79.1 | -33.1 | 174.6 | -72.5 | -167.9 | 16 | 0 | 0 | 112.2 | I326 K327 I345 C346 | I326-Q348 HydrophobicContact CG2-CB 3.95Å; K327-Q348 VanDerWaalsContact N-OE1 3.16Å; K327-Q348 PolarHBondContact O-NE2 3.19Å; K327-Q348 PolarHBondContact O-OE1 2.72Å; I345-Q348 PolarHBondContact O-N 3.32Å; I345-Q348 VanDerWaalsContact O-N 3.14Å; C346-Q348 VanDerWaalsContact C-N 3.31Å; C346-Q348 PolarHBondContact O-N 3.12Å |
| 349 | W | 86.1 | Confident | 87.1 | Confident | 38 Ų | 38 | 29.7 Ų | 29.7 | 14% | 0.144 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -84.9 | -53.9 | -174.1 | -173.6 | 24 | 0 | 0 | 0 | 113.5 | F248 I301 L304 L324 I326 I345 C346 | F248-W349 HydrophobicContact CE1-CZ2 4.22Å; F248-W349 HydrophobicContact CZ-CZ2 4.35Å; I301-W349 HydrophobicContact CG1-CH2 4.34Å; I301-W349 HydrophobicContact CG1-CZ3 4.37Å; L304-W349 HydrophobicContact CD2-CE3 4.15Å; L304-W349 HydrophobicContact CD2-CZ3 3.99Å; L324-W349 HydrophobicContact CD1-CD2 3.77Å; L324-W349 HydrophobicContact CD1-CE3 4.02Å; L324-W349 HydrophobicContact CD1-CG 4.26Å; L324-W349 HydrophobicContact CD1-CH2 4.34Å; L324-W349 HydrophobicContact CD1-CZ2 4.11Å; L324-W349 HydrophobicContact CD1-CZ3 4.29Å; L324-W349 HydrophobicContact CD2-CZ2 3.8Å; I326-W349 HydrophobicContact CD1-CB 3.73Å; I326-W349 HydrophobicContact CD1-CG 4.04Å; I345-W349 WeakPolarHBondContact O-CB 3.46Å; I345-W349 PolarHBondContact O-N 3.28Å; C346-W349 PolarHBondContact O-N 3.34Å |
| 350 | L | 87.9 | Confident | 87.5 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -139.2 | 58.5 | -170 | -63.4 | 172.1 | 0 | 0 | 0 | 110.4 | W241 G242 F243 H247 F248 C346 V352 | W241-L350 CarbonylContact C-O 3.56Å; W241-L350 WeakPolarHBondContact CA-O 3.29Å; W241-L350 HydrophobicContact CB-CB 4.25Å; G242-L350 PolarHBondContact N-O 2.94Å; F243-L350 HydrophobicContact CB-CD2 4.47Å; F243-L350 HydrophobicContact CD1-CD1 4.42Å; H247-L350 VanDerWaalsContact CD2-CD2 3.42Å; H247-L350 WeakPolarHBondContact CD2-CD2 3.47Å; F248-L350 HydrophobicContact CE2-CD1 4.25Å; F248-L350 HydrophobicContact CZ-CD1 3.76Å; F248-L350 HydrophobicContact CZ-CD2 4.23Å; C346-L350 CarbonylContact O-C 3.56Å; C346-L350 PolarHBondContact O-N 3.26Å; L350-V352 PolarHBondContact O-N 3.23Å; L350-V352 VanDerWaalsContact O-N 3.13Å |
| 351 | P | 88.5 | Confident | 87.8 | Confident | 34 Ų | 34 | 22.9 Ų | 22.9 | 22% | 0.221 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -58 | 118.9 | -175.7 | 20.4 | -30.9 | 0 | 0 | 0 | 111.8 | N347 S353 K354 | N347-P351 WeakPolarHBondContact O-CB 3.34Å; N347-P351 WeakPolarHBondContact O-CD 3.39Å; P351-S353 PolarHBondContact O-N 2.84Å; P351-S353 VanDerWaalsContact O-N 3.11Å; P351-K354 HydrophobicContact CG-CB 4.13Å; P351-K354 WeakPolarHBondContact O-CB 3.29Å; P351-K354 PolarHBondContact O-N 2.67Å |
| 352 | V | 89.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -50.3 | -41.9 | -174 | 61.3 | 0 | 0 | 0 | 0 | 112.8 | C38 A235 G240 L350 K354 A355 V356 | C38-V352 HydrophobicContact CB-CG1 3.77Å; A235-V352 HydrophobicContact CB-CG2 3.98Å; G240-V352 PolarHBondContact O-N 2.91Å; L350-V352 PolarHBondContact O-N 3.23Å; L350-V352 VanDerWaalsContact O-N 3.13Å; V352-K354 VanDerWaalsContact C-N 3.3Å; V352-K354 PolarHBondContact O-N 2.92Å; V352-A355 PolarHBondContact O-N 3.01Å; V352-A355 VanDerWaalsContact O-N 3.16Å; V352-V356 HydrophobicContact CG2-CG2 4.28Å; V352-V356 PolarHBondContact O-N 3.38Å |
| 353 | S | 88.4 | Confident | 88 | Confident | 5 Ų | 5 | 28.3 Ų | 28.3 | 4% | 0.035 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.6 | -34 | -177.7 | -32.5 | 0 | 0 | 0 | 0 | 112.3 | C38 P351 L357 | C38-S353 VanDerWaalsContact C-OG 3.31Å; C38-S353 PolarHBondContact O-OG 3Å; P351-S353 PolarHBondContact O-N 2.84Å; P351-S353 VanDerWaalsContact O-N 3.11Å; S353-L357 VanDerWaalsContact O-CB 3.23Å; S353-L357 WeakPolarHBondContact O-CB 3.41Å; S353-L357 WeakPolarHBondContact O-CD1 3.43Å; S353-L357 WeakPolarHBondContact O-CG 3.33Å; S353-L357 PolarHBondContact O-N 3.03Å |
| 354 | K | 88.7 | Confident | 88.1 | Confident | 108 Ų | 108 | 26.6 Ų | 26.6 | 47% | 0.47 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -69.1 | -39.9 | 176.4 | -169.9 | 179.3 | 179.8 | 176.9 | 0 | 111.7 | Y79 P351 V352 S358 | Y79-K354 WeakPolarHBondContact OH-CG 3.41Å; Y79-K354 PolarHBondContact OH-O 3.35Å; P351-K354 HydrophobicContact CG-CB 4.13Å; P351-K354 WeakPolarHBondContact O-CB 3.29Å; P351-K354 PolarHBondContact O-N 2.67Å; V352-K354 VanDerWaalsContact C-N 3.3Å; V352-K354 PolarHBondContact O-N 2.92Å; K354-S358 WeakPolarHBondContact O-CB 3.32Å; K354-S358 PolarHBondContact O-N 3.43Å; K354-S358 VanDerWaalsContact O-N 3.12Å |
| 355 | A | 89.8 | Confident | 88.2 | Confident | 9 Ų | 9 | 27.1 Ų | 27.1 | 7% | 0.074 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.1 | -49 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V233 G242 V352 M359 | V233-A355 HydrophobicContact CG1-CB 4.36Å; V233-A355 HydrophobicContact CG2-CB 4.26Å; G242-A355 WeakPolarHBondContact O-CB 3.25Å; V352-A355 PolarHBondContact O-N 3.01Å; V352-A355 VanDerWaalsContact O-N 3.16Å; A355-M359 WeakPolarHBondContact O-CB 3.29Å; A355-M359 PolarHBondContact O-N 3Å |
| 356 | V | 91.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.5 | -43.1 | -179.6 | 177 | 0 | 0 | 0 | 0 | 111.9 | L39 I114 V144 V233 V352 M359 V360 | L39-V356 HydrophobicContact CD2-CB 4.23Å; L39-V356 HydrophobicContact CD2-CG1 4.25Å; I114-V356 HydrophobicContact CD1-CG1 3.77Å; V144-V356 HydrophobicContact CG2-CG2 4.28Å; V233-V356 HydrophobicContact CG1-CG2 4.09Å; V352-V356 HydrophobicContact CG2-CG2 4.28Å; V352-V356 PolarHBondContact O-N 3.38Å; V356-M359 WeakPolarHBondContact O-CB 3.5Å; V356-V360 WeakPolarHBondContact O-CB 3.36Å; V356-V360 WeakPolarHBondContact O-CG2 3.48Å; V356-V360 PolarHBondContact O-N 3.28Å |
| 357 | L | 90.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -74.6 | -32.4 | -176.6 | -60.3 | 170.8 | 0 | 0 | 0 | 112.9 | L39 Y79 L88 S353 C361 | L39-L357 HydrophobicContact CD1-CD2 4.5Å; L39-L357 HydrophobicContact CD2-CD1 4.49Å; L39-L357 HydrophobicContact CD2-CD2 4.22Å; L39-L357 HydrophobicContact CD2-CG 4.15Å; Y79-L357 HydrophobicContact CD1-CB 3.75Å; Y79-L357 HydrophobicContact CD2-CB 3.85Å; Y79-L357 HydrophobicContact CD2-CD1 3.82Å; Y79-L357 HydrophobicContact CD2-CG 4.5Å; Y79-L357 HydrophobicContact CE1-CB 3.83Å; Y79-L357 HydrophobicContact CE2-CB 3.95Å; Y79-L357 HydrophobicContact CE2-CD1 4.35Å; Y79-L357 HydrophobicContact CG-CB 3.76Å; Y79-L357 HydrophobicContact CG-CD1 4.18Å; L88-L357 HydrophobicContact CD1-CB 4.36Å; L88-L357 HydrophobicContact CD1-CD2 3.67Å; L88-L357 HydrophobicContact CD1-CG 4.49Å; S353-L357 VanDerWaalsContact O-CB 3.23Å; S353-L357 WeakPolarHBondContact O-CB 3.41Å; S353-L357 WeakPolarHBondContact O-CD1 3.43Å; S353-L357 WeakPolarHBondContact O-CG 3.33Å; S353-L357 PolarHBondContact O-N 3.03Å; L357-C361 PolarHBondContact O-N 3.46Å; L357-C361 VanDerWaalsContact O-N 3.12Å; L357-C361 PolarHBondContact O-SG 3.22Å |
| 358 | S | 89.8 | Confident | 88.3 | Confident | 25 Ų | 25 | 28.2 Ų | 28.2 | 18% | 0.175 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.3 | -51.3 | 172 | -153.8 | 0 | 0 | 0 | 0 | 111.1 | K354 V360 C361 E362 | K354-S358 WeakPolarHBondContact O-CB 3.32Å; K354-S358 PolarHBondContact O-N 3.43Å; K354-S358 VanDerWaalsContact O-N 3.12Å; S358-V360 VanDerWaalsContact C-N 3.3Å; S358-V360 PolarHBondContact O-N 2.97Å; S358-C361 PolarHBondContact O-N 2.88Å; S358-C361 VanDerWaalsContact O-N 3.07Å; S358-E362 WeakPolarHBondContact O-CB 3.3Å; S358-E362 WeakPolarHBondContact O-CG 3.47Å; S358-E362 PolarHBondContact O-N 3.27Å; S358-E362 PolarHBondContact OG-OE1 3.38Å |
| 359 | M | 90 | Very high | 88.2 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -51.7 | -45.9 | 174 | 169.2 | -161.3 | -133.7 | 0 | 0 | 112.5 | V142 L143 N231 V232 V233 A355 V356 E362 K363 | V142-M359 HydrophobicContact CG1-CE 3.31Å; V142-M359 HydrophobicContact CG1-CG 3.64Å; V142-M359 HydrophobicContact CG1-SD 3.39Å; V142-M359 WeakPolarHBondContact CG1-SD 3.06Å; L143-M359 WeakPolarHBondContact O-CE 3.36Å; N231-M359 WeakPolarHBondContact O-CE 3.41Å; V232-M359 VanDerWaalsContact CA-CE 3.46Å; V232-M359 VanDerWaalsContact N-CE 3.31Å; V233-M359 HydrophobicContact CB-CE 3.73Å; V233-M359 HydrophobicContact CB-SD 3.84Å; V233-M359 HydrophobicContact CG2-CB 4.38Å; V233-M359 HydrophobicContact CG2-CE 3.6Å; V233-M359 HydrophobicContact CG2-CG 4.42Å; V233-M359 HydrophobicContact CG2-SD 3.47Å; V233-M359 WeakPolarHBondContact CG2-SD 3.46Å; A355-M359 WeakPolarHBondContact O-CB 3.29Å; A355-M359 PolarHBondContact O-N 3Å; V356-M359 WeakPolarHBondContact O-CB 3.5Å; M359-E362 PolarHBondContact O-N 2.78Å; M359-K363 VanDerWaalsContact O-CB 3.31Å; M359-K363 WeakPolarHBondContact O-CB 3.01Å; M359-K363 WeakPolarHBondContact O-CG 3.48Å; M359-K363 PolarHBondContact O-N 2.71Å |
| 360 | V | 90.6 | Very high | 88 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.3 | -49.6 | 174.6 | 151.4 | 0 | 0 | 0 | 0 | 111.8 | L22 L88 I114 V356 S358 E362 K363 L364 | L22-V360 HydrophobicContact CD2-CG1 3.78Å; L22-V360 HydrophobicContact CD2-CG2 4.33Å; L88-V360 HydrophobicContact CD1-CG1 4.25Å; L88-V360 HydrophobicContact CD2-CG1 3.9Å; I114-V360 HydrophobicContact CD1-CG2 3.91Å; I114-V360 HydrophobicContact CG1-CG2 4.26Å; V356-V360 WeakPolarHBondContact O-CB 3.36Å; V356-V360 WeakPolarHBondContact O-CG2 3.48Å; V356-V360 PolarHBondContact O-N 3.28Å; S358-V360 VanDerWaalsContact C-N 3.3Å; S358-V360 PolarHBondContact O-N 2.97Å; V360-E362 VanDerWaalsContact C-N 3.32Å; V360-E362 PolarHBondContact O-N 3.4Å; V360-K363 PolarHBondContact O-N 3.12Å; V360-L364 HydrophobicContact CB-CD1 4.45Å; V360-L364 HydrophobicContact CG1-CD1 4.14Å; V360-L364 HydrophobicContact CG2-CD1 4.08Å; V360-L364 WeakPolarHBondContact O-CB 3.43Å; V360-L364 PolarHBondContact O-N 2.89Å |
| 361 | C | 89 | Confident | 87.4 | Confident | 12 Ų | 12 | 30.7 Ų | 30.7 | 8% | 0.081 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.5 | -32.4 | -177.3 | -61.6 | 0 | 0 | 0 | 0 | 112.6 | Y86 L357 S358 | Y86-C361 HydrophobicContact CD1-CB 4.37Å; Y86-C361 HydrophobicContact CD2-CB 4.29Å; Y86-C361 HydrophobicContact CE1-CB 4.26Å; Y86-C361 HydrophobicContact CE2-CB 4.17Å; Y86-C361 HydrophobicContact CG-CB 4.39Å; L357-C361 PolarHBondContact O-N 3.46Å; L357-C361 VanDerWaalsContact O-N 3.12Å; L357-C361 PolarHBondContact O-SG 3.22Å; S358-C361 PolarHBondContact O-N 2.88Å; S358-C361 VanDerWaalsContact O-N 3.07Å |
| 362 | E | 87.3 | Confident | 87.1 | Confident | 93 Ų | 93 | 31 Ų | 31 | 44% | 0.435 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -82.7 | -20.5 | -178.9 | -69.1 | 170.2 | -128.8 | 0 | 0 | 114.1 | Q246 S358 M359 V360 | Q246-E362 PolarHBondContact NE2-OE2 3.02Å; S358-E362 WeakPolarHBondContact O-CB 3.3Å; S358-E362 WeakPolarHBondContact O-CG 3.47Å; S358-E362 PolarHBondContact O-N 3.27Å; S358-E362 PolarHBondContact OG-OE1 3.38Å; M359-E362 PolarHBondContact O-N 2.78Å; V360-E362 VanDerWaalsContact C-N 3.32Å; V360-E362 PolarHBondContact O-N 3.4Å |
| 363 | K | 87.6 | Confident | 86.5 | Confident | 48 Ų | 48 | 35.3 Ų | 35.3 | 21% | 0.209 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -120.4 | -35.6 | -172.7 | -60.5 | -59.1 | 178.2 | -174 | 0 | 115.3 | R140 V142 Q229 M359 V360 | R140-K363 VanDerWaalsContact CD-O 3.23Å; R140-K363 WeakPolarHBondContact CD-O 3.34Å; R140-K363 PolarHBondContact NH1-O 2.81Å; V142-K363 HydrophobicContact CG2-CB 4.3Å; Q229-K363 WeakPolarHBondContact O-CE 3.33Å; Q229-K363 PolarHBondContact O-NZ 3.18Å; M359-K363 VanDerWaalsContact O-CB 3.31Å; M359-K363 WeakPolarHBondContact O-CB 3.01Å; M359-K363 WeakPolarHBondContact O-CG 3.48Å; M359-K363 PolarHBondContact O-N 2.71Å; V360-K363 PolarHBondContact O-N 3.12Å |
| 364 | L | 87.6 | Confident | 86.3 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -76.2 | 137.1 | 179.9 | -61.8 | -171 | 0 | 0 | 0 | 110.3 | R20 L22 R140 V142 V360 | R20-L364 WeakPolarHBondContact CD-O 3.36Å; R20-L364 PolarHBondContact NE-O 3.29Å; L22-L364 HydrophobicContact CB-CD1 3.87Å; R140-L364 HydrophobicContact CB-CD2 4.35Å; R140-L364 WeakPolarHBondContact O-CD2 3.3Å; V142-L364 HydrophobicContact CG2-CD2 3.45Å; V142-L364 VanDerWaalsContact CG2-CD2 3.45Å; V142-L364 HydrophobicContact CG2-CG 4.3Å; V360-L364 HydrophobicContact CB-CD1 4.45Å; V360-L364 HydrophobicContact CG1-CD1 4.14Å; V360-L364 HydrophobicContact CG2-CD1 4.08Å; V360-L364 WeakPolarHBondContact O-CB 3.43Å; V360-L364 PolarHBondContact O-N 2.89Å |
| 365 | P | 87.4 | Confident | 86 | Confident | 29 Ų | 29 | 30.3 Ų | 30.3 | 19% | 0.188 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 150.9 | 175.7 | 29.2 | -34.3 | 0 | 0 | 0 | 110.7 | R20 D111 E369 | R20-P365 WeakPolarHBondContact CD-O 3.41Å; R20-P365 PolarHBondContact NE-O 3.48Å; D111-P365 HydrophobicContact CB-CG 4.39Å; P365-E369 HydrophobicContact CB-CB 3.88Å |
| 366 | S | 88 | Confident | 85.7 | Confident | 7 Ų | 7 | 32.9 Ų | 32.9 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 159.4 | 163.9 | 65.3 | 0 | 0 | 0 | 0 | 110.9 | L368 E369 | S366-L368 PolarHBondContact O-N 3.12Å; S366-E369 VanDerWaalsContact CB-OE2 3.3Å; S366-E369 WeakPolarHBondContact CB-OE2 3.33Å; S366-E369 PolarHBondContact N-OE2 2.84Å; S366-E369 PolarHBondContact O-N 3.06Å; S366-E369 PolarHBondContact OG-OE2 2.81Å |
| 367 | P | 86.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -19.6 | 170.1 | -30.8 | 36.3 | 0 | 0 | 0 | 115.7 | P16 I19 | P16-P367 WeakPolarHBondContact O-CD 3.48Å; I19-P367 HydrophobicContact CB-CG 4.16Å; I19-P367 HydrophobicContact CG2-CG 4.17Å; I19-P367 WeakPolarHBondContact O-CD 3.41Å |
| 368 | L | 85.6 | Confident | 84.7 | Confident | 71 Ų | 71 | 37.1 Ų | 37.1 | 37% | 0.372 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -22.4 | 176 | -62.5 | 166.1 | 0 | 0 | 0 | 113 | P16 A17 S366 M370 Q402 C403 | P16-L368 HydrophobicContact CB-CD2 4.47Å; P16-L368 HydrophobicContact CB-CG 4.3Å; P16-L368 HydrophobicContact CG-CD1 4.32Å; P16-L368 HydrophobicContact CG-CD2 4.14Å; P16-L368 HydrophobicContact CG-CG 4.32Å; A17-L368 HydrophobicContact CB-CD1 3.82Å; S366-L368 PolarHBondContact O-N 3.12Å; L368-M370 VanDerWaalsContact C-N 3.28Å; L368-M370 PolarHBondContact O-N 2.8Å; L368-Q402 VanDerWaalsContact CD2-O 3.29Å; L368-Q402 WeakPolarHBondContact CD2-O 3.24Å; L368-C403 HydrophobicContact CD2-CB 3.85Å |
| 369 | E | 83.4 | Confident | 84.1 | Confident | 126 Ų | 126 | 36 Ų | 36 | 59% | 0.589 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -96.4 | 29.7 | -176.8 | -66.8 | 160 | 125.1 | 0 | 0 | 111.1 | P365 S366 | P365-E369 HydrophobicContact CB-CB 3.88Å; S366-E369 VanDerWaalsContact CB-OE2 3.3Å; S366-E369 WeakPolarHBondContact CB-OE2 3.33Å; S366-E369 PolarHBondContact N-OE2 2.84Å; S366-E369 PolarHBondContact O-N 3.06Å; S366-E369 PolarHBondContact OG-OE2 2.81Å |
| 370 | M | 80 | Confident | 83.1 | Confident | 19 Ų | 19 | 37 Ų | 37 | 9% | 0.094 | 20% | 0.195 | C | C | . | . | trans | -75.6 | 126.6 | -176.9 | -164.9 | 177.5 | -48 | 0 | 0 | 111.5 | L368 A372 K374 V375 F400 L401 Y498 | L368-M370 VanDerWaalsContact C-N 3.28Å; L368-M370 PolarHBondContact O-N 2.8Å; M370-A372 PolarHBondContact O-N 3.01Å; M370-K374 HydrophobicContact CG-CD 4.35Å; M370-K374 HydrophobicContact SD-CD 4.37Å; M370-V375 HydrophobicContact SD-CG2 4.35Å; M370-F400 HydrophobicContact CE-CE1 4.49Å; M370-F400 HydrophobicContact SD-CE1 3.78Å; M370-L401 WeakPolarHBondContact O-CD2 3.43Å; M370-Y498 HydrophobicContact CE-CD1 3.91Å; M370-Y498 HydrophobicContact CE-CE1 3.86Å; M370-Y498 HydrophobicContact SD-CD1 4.42Å; M370-Y498 HydrophobicContact SD-CE1 4.21Å | ||
| 371 | A | 76.8 | Confident | 81.9 | Confident | 49 Ų | 49 | 37.9 Ų | 37.9 | 41% | 0.405 | 20% | 0.2 | S | C | . | . | trans | -60.4 | 131.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E373 K374 V375 | A371-E373 VanDerWaalsContact C-N 3.25Å; A371-E373 PolarHBondContact O-N 2.57Å; A371-K374 WeakPolarHBondContact O-CB 3.18Å; A371-K374 PolarHBondContact O-N 3.18Å; A371-V375 PolarHBondContact O-N 3.39Å | ||
| 372 | A | 82.2 | Confident | 80.6 | Confident | 40 Ų | 40 | 43.8 Ų | 43.8 | 33% | 0.331 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.6 | -36 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M370 K374 V375 E376 L401 | M370-A372 PolarHBondContact O-N 3.01Å; A372-K374 PolarHBondContact O-N 3.28Å; A372-V375 WeakPolarHBondContact O-CB 3.33Å; A372-V375 PolarHBondContact O-N 3.05Å; A372-E376 WeakPolarHBondContact O-CG 3.29Å; A372-E376 PolarHBondContact O-N 3.29Å; A372-L401 HydrophobicContact CB-CD2 4.29Å |
| 373 | E | 77.1 | Confident | 79.1 | Confident | 91 Ų | 91 | 41.9 Ų | 41.9 | 43% | 0.425 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -49.6 | -42.2 | 170.6 | -65.3 | 180 | -157.5 | 0 | 0 | 112.7 | N138 K184 A371 K377 | N138-E373 WeakPolarHBondContact ND2-CB 3.45Å; N138-E373 PolarHBondContact ND2-OE2 3.45Å; K184-E373 VanDerWaalsContact NZ-CD 3.31Å; K184-E373 IonicContact NZ-OE1 3.92Å; K184-E373 PolarHBondContact NZ-OE1 3.15Å; K184-E373 VanDerWaalsContact NZ-OE1 3.1Å; K184-E373 IonicContact NZ-OE2 3.69Å; K184-E373 PolarHBondContact NZ-OE2 3.02Å; A371-E373 VanDerWaalsContact C-N 3.25Å; A371-E373 PolarHBondContact O-N 2.57Å; E373-K377 VanDerWaalsContact O-CB 3.25Å; E373-K377 WeakPolarHBondContact O-CB 3.25Å; E373-K377 PolarHBondContact O-N 3.42Å |
| 374 | K | 83.1 | Confident | 77.9 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.7 | -40 | -179.1 | -172.4 | 170.5 | -178.7 | 158.7 | 0 | 110.7 | C110 E137 N138 V139 M370 A371 A372 K377 L378 | C110-K374 PolarHBondContact O-NZ 3.43Å; E137-K374 VanDerWaalsContact O-CD 3.29Å; E137-K374 WeakPolarHBondContact O-CD 3.49Å; E137-K374 WeakPolarHBondContact O-CE 3.5Å; E137-K374 PolarHBondContact O-NZ 3.36Å; N138-K374 HydrophobicContact CB-CB 4.24Å; N138-K374 HydrophobicContact CB-CD 4.37Å; V139-K374 VanDerWaalsContact CG2-NZ 3.29Å; M370-K374 HydrophobicContact CG-CD 4.35Å; M370-K374 HydrophobicContact SD-CD 4.37Å; A371-K374 WeakPolarHBondContact O-CB 3.18Å; A371-K374 PolarHBondContact O-N 3.18Å; A372-K374 PolarHBondContact O-N 3.28Å; K374-K377 PolarHBondContact O-N 3.29Å; K374-L378 HydrophobicContact CG-CD1 4.14Å; K374-L378 WeakPolarHBondContact O-CB 3.38Å; K374-L378 WeakPolarHBondContact O-CG 3.28Å; K374-L378 PolarHBondContact O-N 2.95Å |
| 375 | V | 83.4 | Confident | 76.7 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.6 | -46.8 | 176 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | M370 A371 A372 L378 M379 K397 F400 L401 | M370-V375 HydrophobicContact SD-CG2 4.35Å; A371-V375 PolarHBondContact O-N 3.39Å; A372-V375 WeakPolarHBondContact O-CB 3.33Å; A372-V375 PolarHBondContact O-N 3.05Å; V375-L378 PolarHBondContact O-N 3.25Å; V375-M379 HydrophobicContact CG1-CG 4.4Å; V375-M379 HydrophobicContact CG1-SD 3.82Å; V375-M379 WeakPolarHBondContact O-CB 3.21Å; V375-M379 WeakPolarHBondContact O-CG 2.97Å; V375-M379 PolarHBondContact O-N 2.96Å; V375-K397 HydrophobicContact CG1-CB 4.4Å; V375-K397 HydrophobicContact CG1-CG 4.08Å; V375-F400 HydrophobicContact CB-CD1 4.08Å; V375-F400 HydrophobicContact CB-CE1 4.2Å; V375-F400 HydrophobicContact CG1-CB 4.08Å; V375-F400 HydrophobicContact CG1-CD1 3.46Å; V375-F400 VanDerWaalsContact CG1-CD1 3.46Å; V375-F400 HydrophobicContact CG1-CD2 4.43Å; V375-F400 HydrophobicContact CG1-CE1 3.88Å; V375-F400 HydrophobicContact CG1-CG 3.76Å; V375-F400 HydrophobicContact CG2-CD1 3.55Å; V375-F400 HydrophobicContact CG2-CE1 3.71Å; V375-L401 HydrophobicContact CG2-CD2 3.74Å; V375-L401 HydrophobicContact CG2-CG 4.19Å |
| 376 | E | 82.6 | Confident | 75.8 | Confident | 63 Ų | 63 | 46.3 Ų | 46.3 | 29% | 0.294 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.2 | -41.9 | 178.3 | -69.6 | 162.3 | -155.5 | 0 | 0 | 112.2 | A372 L378 M379 S380 F386 K397 | A372-E376 WeakPolarHBondContact O-CG 3.29Å; A372-E376 PolarHBondContact O-N 3.29Å; E376-L378 VanDerWaalsContact C-N 3.32Å; E376-L378 PolarHBondContact O-N 3.09Å; E376-M379 PolarHBondContact O-N 2.84Å; E376-S380 VanDerWaalsContact O-CB 3.25Å; E376-S380 WeakPolarHBondContact O-CB 3.1Å; E376-S380 PolarHBondContact O-N 2.84Å; E376-S380 PolarHBondContact O-OG 3.23Å; E376-F386 HydrophobicContact CB-CB 4.36Å; E376-F386 HydrophobicContact CG-CB 4.23Å; E376-F386 HydrophobicContact CG-CG 4.18Å; E376-K397 HydrophobicContact CG-CD 4.3Å; E376-K397 WeakPolarHBondContact OE1-CE 3.46Å; E376-K397 IonicContact OE1-NZ 3.01Å; E376-K397 PolarHBondContact OE1-NZ 3.13Å |
| 377 | K | 79.4 | Confident | 74.8 | Confident | 90 Ų | 90 | 51 Ų | 51 | 39% | 0.391 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.7 | -32.5 | 175.5 | -172.5 | 170.9 | -176.9 | 172.6 | 0 | 113.2 | L136 E373 K374 S380 T593 | L136-K377 PolarHBondContact O-NZ 2.81Å; E373-K377 VanDerWaalsContact O-CB 3.25Å; E373-K377 WeakPolarHBondContact O-CB 3.25Å; E373-K377 PolarHBondContact O-N 3.42Å; K374-K377 PolarHBondContact O-N 3.29Å; K377-S380 PolarHBondContact O-OG 2.88Å; K377-T593 PolarHBondContact O-OG1 2.74Å |
| 378 | L | 81.6 | Confident | 74 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.8 | -45 | 173.4 | -72 | 170.5 | 0 | 0 | 0 | 112.1 | R108 K374 V375 E376 F400 Y498 F592 T593 | R108-L378 HydrophobicContact CG-CD2 4.2Å; R108-L378 VanDerWaalsContact CZ-CD2 3.42Å; R108-L378 VanDerWaalsContact NE-CD2 3.3Å; K374-L378 HydrophobicContact CG-CD1 4.14Å; K374-L378 WeakPolarHBondContact O-CB 3.38Å; K374-L378 WeakPolarHBondContact O-CG 3.28Å; K374-L378 PolarHBondContact O-N 2.95Å; V375-L378 PolarHBondContact O-N 3.25Å; E376-L378 VanDerWaalsContact C-N 3.32Å; E376-L378 PolarHBondContact O-N 3.09Å; L378-F400 HydrophobicContact CD1-CZ 4.06Å; L378-Y498 HydrophobicContact CD1-CE1 4.44Å; L378-F592 HydrophobicContact CB-CD2 4.41Å; L378-F592 WeakPolarHBondContact O-CA 3.42Å; L378-F592 VanDerWaalsContact O-CB 3.25Å; L378-F592 WeakPolarHBondContact O-CB 3.47Å; L378-T593 PolarHBondContact O-N 2.86Å; L378-T593 VanDerWaalsContact O-N 3.12Å |
| 379 | M | 77.3 | Confident | 73.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -86.9 | -12.3 | -173.4 | -68.9 | -175.4 | 70.9 | 0 | 0 | 115.2 | V375 E376 F386 L389 T393 L396 K397 F400 S590 F592 | V375-M379 HydrophobicContact CG1-CG 4.4Å; V375-M379 HydrophobicContact CG1-SD 3.82Å; V375-M379 WeakPolarHBondContact O-CB 3.21Å; V375-M379 WeakPolarHBondContact O-CG 2.97Å; V375-M379 PolarHBondContact O-N 2.96Å; E376-M379 PolarHBondContact O-N 2.84Å; M379-F386 HydrophobicContact CB-CD2 3.92Å; M379-F386 HydrophobicContact CB-CE2 3.84Å; M379-F386 HydrophobicContact CE-CE2 3.96Å; M379-F386 HydrophobicContact SD-CE2 3.95Å; M379-L389 WeakPolarHBondContact O-CD1 3.4Å; M379-T393 HydrophobicContact CE-CG2 4.32Å; M379-L396 HydrophobicContact CE-CB 4.04Å; M379-K397 HydrophobicContact SD-CB 4.36Å; M379-F400 HydrophobicContact SD-CD2 4.33Å; M379-S590 VanDerWaalsContact O-CB 3.31Å; M379-S590 WeakPolarHBondContact O-CB 3.33Å; M379-S590 PolarHBondContact O-OG 2.99Å; M379-F592 HydrophobicContact CG-CD1 4.49Å; M379-F592 HydrophobicContact CG-CE1 4.1Å |
| 380 | S | 69.9 | Low | 73 | Confident | 22 Ų | 22 | 46.3 Ų | 46.3 | 15% | 0.154 | 24% | 0.237 | C | C | . | . | trans | -65.2 | 151.5 | 174 | 38.5 | 0 | 0 | 0 | 0 | 111.9 | E376 K377 R384 T593 | E376-S380 VanDerWaalsContact O-CB 3.25Å; E376-S380 WeakPolarHBondContact O-CB 3.1Å; E376-S380 PolarHBondContact O-N 2.84Å; E376-S380 PolarHBondContact O-OG 3.23Å; K377-S380 PolarHBondContact O-OG 2.88Å; S380-R384 WeakPolarHBondContact CB-O 3.25Å; S380-T593 PolarHBondContact O-OG1 3.15Å | ||
| 381 | V | 64.4 | Low | 73 | Confident | 19 Ų | 19 | 53 Ų | 53 | 12% | 0.115 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -115.2 | 97 | -173.9 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | T383 R384 L389 | V381-T383 PolarHBondContact O-N 3.39Å; V381-R384 PolarHBondContact N-O 2.92Å; V381-R384 WeakPolarHBondContact O-CB 3.41Å; V381-R384 PolarHBondContact O-N 3.04Å; V381-L389 HydrophobicContact CG2-CD2 4.14Å |
| 382 | R | 62.6 | Low | 73 | Confident | 137 Ų | 137 | 56.2 Ų | 56.2 | 52% | 0.517 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -120.6 | -173 | -49.9 | 178.7 | -168.4 | 152.3 | 9 | 109.7 | ||
| 383 | T | 56.1 | Low | 73 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -8 | 179.7 | -17 | 0 | 0 | 0 | 0 | 113.9 | V381 L759 I782 | V381-T383 PolarHBondContact O-N 3.39Å; T383-L759 HydrophobicContact CG2-CD2 4.01Å; T383-I782 HydrophobicContact CG2-CD1 3.78Å; T383-I782 HydrophobicContact CG2-CG1 3.97Å; T383-I782 WeakPolarHBondContact O-CD1 3.44Å |
| 384 | R | 62.2 | Low | 73.1 | Confident | 76 Ų | 76 | 53.6 Ų | 53.6 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | B | Isolated β-bridge | trans | -76 | 127.2 | 175.7 | -72.3 | -172.7 | 179.3 | 154.5 | 0.2 | 110.2 | S380 V381 D516 | S380-R384 WeakPolarHBondContact CB-O 3.25Å; V381-R384 PolarHBondContact N-O 2.92Å; V381-R384 WeakPolarHBondContact O-CB 3.41Å; V381-R384 PolarHBondContact O-N 3.04Å; R384-D516 IonicContact CZ-OD2 3.89Å; R384-D516 IonicContact NH1-OD1 3.77Å; R384-D516 PolarHBondContact NH1-OD1 2.85Å; R384-D516 IonicContact NH1-OD2 3.05Å; R384-D516 PolarHBondContact NH1-OD2 3.41Å; R384-D516 IonicContact NH2-OD2 3.63Å |
| 385 | R | 61.1 | Low | 73.1 | Confident | 87 Ų | 87 | 59.1 Ų | 59.1 | 33% | 0.328 | 28% | 0.277 | S | S | . | . | trans | -71 | 156.7 | 175 | -79.4 | -170.2 | 166.1 | -138.3 | -7 | 111.3 | E191 D387 S388 | E191-R385 IonicContact OE1-NH2 3.22Å; E191-R385 PolarHBondContact OE1-NH2 3.47Å; E191-R385 IonicContact OE2-NH2 3.11Å; R385-D387 PolarHBondContact O-N 3.48Å; R385-S388 PolarHBondContact N-OG 2.91Å; R385-S388 PolarHBondContact O-N 2.99Å; R385-S388 VanDerWaalsContact O-N 3.07Å; R385-S388 PolarHBondContact O-OG 3.21Å | ||
| 386 | F | 67.9 | Low | 73.2 | Confident | 11 Ų | 11 | 59.8 Ų | 59.8 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -54.1 | -39.4 | 177.5 | -172.4 | -91.5 | 0 | 0 | 0 | 112.4 | E376 M379 S388 L389 Q394 K397 | E376-F386 HydrophobicContact CB-CB 4.36Å; E376-F386 HydrophobicContact CG-CB 4.23Å; E376-F386 HydrophobicContact CG-CG 4.18Å; M379-F386 HydrophobicContact CB-CD2 3.92Å; M379-F386 HydrophobicContact CB-CE2 3.84Å; M379-F386 HydrophobicContact CE-CE2 3.96Å; M379-F386 HydrophobicContact SD-CE2 3.95Å; F386-S388 PolarHBondContact O-N 3.36Å; F386-L389 HydrophobicContact CD2-CD1 4.09Å; F386-L389 HydrophobicContact CE2-CD1 4.48Å; F386-L389 VanDerWaalsContact O-CB 3.3Å; F386-L389 WeakPolarHBondContact O-CB 3.43Å; F386-L389 WeakPolarHBondContact O-CG 3.31Å; F386-L389 PolarHBondContact O-N 2.63Å; F386-Q394 HydrophobicContact CE1-CB 4.02Å; F386-Q394 HydrophobicContact CE1-CG 3.96Å; F386-Q394 HydrophobicContact CZ-CB 4.39Å; F386-Q394 HydrophobicContact CZ-CG 4.49Å; F386-K397 HydrophobicContact CD1-CD 4.08Å; F386-K397 HydrophobicContact CE1-CB 4.1Å; F386-K397 HydrophobicContact CE1-CD 3.46Å; F386-K397 VanDerWaalsContact CE1-CD 3.46Å; F386-K397 HydrophobicContact CE1-CG 4.44Å; F386-K397 HydrophobicContact CE2-CB 4.04Å; F386-K397 HydrophobicContact CE2-CD 4.22Å; F386-K397 HydrophobicContact CZ-CB 3.38Å; F386-K397 HydrophobicContact CZ-CD 3.54Å; F386-K397 HydrophobicContact CZ-CG 4.09Å |
| 387 | D | 67.8 | Low | 73.3 | Confident | 105 Ų | 105 | 58.9 Ų | 58.9 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -67 | -17.1 | -177.8 | -31.9 | -66.2 | 0 | 0 | 0 | 113.4 | R385 Q394 | R385-D387 PolarHBondContact O-N 3.48Å; D387-Q394 PolarHBondContact O-NE2 3.08Å |
| 388 | S | 69.2 | Low | 73.5 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -94.7 | 9.5 | 174.6 | 63 | 0 | 0 | 0 | 0 | 113.7 | R385 F386 | R385-S388 PolarHBondContact N-OG 2.91Å; R385-S388 PolarHBondContact O-N 2.99Å; R385-S388 VanDerWaalsContact O-N 3.07Å; R385-S388 PolarHBondContact O-OG 3.21Å; F386-S388 PolarHBondContact O-N 3.36Å |
| 389 | L | 72.9 | Confident | 73.5 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -92.5 | 153.4 | 172.7 | -57.6 | 176.3 | 0 | 0 | 0 | 110.5 | M379 V381 F386 T393 Q394 | M379-L389 WeakPolarHBondContact O-CD1 3.4Å; V381-L389 HydrophobicContact CG2-CD2 4.14Å; F386-L389 HydrophobicContact CD2-CD1 4.09Å; F386-L389 HydrophobicContact CE2-CD1 4.48Å; F386-L389 VanDerWaalsContact O-CB 3.3Å; F386-L389 WeakPolarHBondContact O-CB 3.43Å; F386-L389 WeakPolarHBondContact O-CG 3.31Å; F386-L389 PolarHBondContact O-N 2.63Å; L389-T393 HydrophobicContact CB-CG2 4.03Å; L389-T393 HydrophobicContact CD1-CG2 3.92Å; L389-Q394 PolarHBondContact O-NE2 3.1Å |
| 390 | P | 76.5 | Confident | 73.8 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 27% | 0.273 | 28% | 0.284 | S | S | . | . | trans | -54.9 | 150.3 | 179.8 | -26.6 | 35.5 | 0 | 0 | 0 | 113.4 | R392 T393 Q394 A518 L521 | P390-R392 VanDerWaalsContact C-N 3.27Å; P390-R392 PolarHBondContact O-N 3.04Å; P390-T393 WeakPolarHBondContact O-CA 3.4Å; P390-T393 VanDerWaalsContact O-CB 3.25Å; P390-T393 WeakPolarHBondContact O-CB 3.35Å; P390-T393 PolarHBondContact O-N 3.32Å; P390-Q394 PolarHBondContact O-N 2.91Å; P390-A518 HydrophobicContact CG-CB 4.36Å; P390-L521 HydrophobicContact CB-CD1 3.98Å; P390-L521 HydrophobicContact CG-CD1 4.1Å | ||
| 391 | E | 78.6 | Confident | 74.5 | Confident | 160 Ų | 160 | 60.4 Ų | 60.4 | 75% | 0.748 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -53.3 | -41.5 | -177.7 | -63 | -179.6 | 153.5 | 0 | 0 | 112.7 | T393 Q394 E395 | E391-T393 PolarHBondContact O-N 2.87Å; E391-Q394 CarbonylContact O-C 3.59Å; E391-Q394 WeakPolarHBondContact O-CA 3.4Å; E391-Q394 WeakPolarHBondContact O-CB 3.49Å; E391-Q394 PolarHBondContact O-N 3.3Å; E391-E395 WeakPolarHBondContact O-CG 3.46Å; E391-E395 PolarHBondContact O-N 2.71Å |
| 392 | R | 78.1 | Confident | 75.4 | Confident | 117 Ų | 117 | 65.5 Ų | 65.5 | 44% | 0.442 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.7 | -28.5 | 173.4 | -70.3 | -177.9 | 176.8 | 151.7 | 6.5 | 114 | P390 L396 E526 A588 | P390-R392 VanDerWaalsContact C-N 3.27Å; P390-R392 PolarHBondContact O-N 3.04Å; R392-L396 WeakPolarHBondContact O-CG 3.34Å; R392-E526 IonicContact CZ-OE1 3.37Å; R392-E526 VanDerWaalsContact CZ-OE1 3.31Å; R392-E526 IonicContact NH1-OE1 3.58Å; R392-E526 PolarHBondContact NH1-OE1 3.03Å; R392-E526 IonicContact NH2-OE1 3.29Å; R392-E526 PolarHBondContact NH2-OE1 3.32Å; R392-A588 HydrophobicContact CB-CB 4.06Å |
| 393 | T | 80.2 | Confident | 76.4 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -78.4 | -32 | 172 | -48.8 | 0 | 0 | 0 | 0 | 111.1 | M379 L389 P390 E391 L396 A588 | M379-T393 HydrophobicContact CE-CG2 4.32Å; L389-T393 HydrophobicContact CB-CG2 4.03Å; L389-T393 HydrophobicContact CD1-CG2 3.92Å; P390-T393 WeakPolarHBondContact O-CA 3.4Å; P390-T393 VanDerWaalsContact O-CB 3.25Å; P390-T393 WeakPolarHBondContact O-CB 3.35Å; P390-T393 PolarHBondContact O-N 3.32Å; E391-T393 PolarHBondContact O-N 2.87Å; T393-L396 PolarHBondContact O-N 3.36Å; T393-A588 WeakPolarHBondContact CB-O 3.43Å; T393-A588 WeakPolarHBondContact CG2-O 3.4Å; T393-A588 PolarHBondContact OG1-O 3.41Å |
| 394 | Q | 80.7 | Confident | 77.5 | Confident | 75 Ų | 75 | 57.7 Ų | 57.7 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.2 | -39.5 | 174.9 | -56.9 | -173.3 | 20.7 | 0 | 0 | 112 | F386 D387 L389 P390 E391 L396 K397 | F386-Q394 HydrophobicContact CE1-CB 4.02Å; F386-Q394 HydrophobicContact CE1-CG 3.96Å; F386-Q394 HydrophobicContact CZ-CB 4.39Å; F386-Q394 HydrophobicContact CZ-CG 4.49Å; D387-Q394 PolarHBondContact O-NE2 3.08Å; L389-Q394 PolarHBondContact O-NE2 3.1Å; P390-Q394 PolarHBondContact O-N 2.91Å; E391-Q394 CarbonylContact O-C 3.59Å; E391-Q394 WeakPolarHBondContact O-CA 3.4Å; E391-Q394 WeakPolarHBondContact O-CB 3.49Å; E391-Q394 PolarHBondContact O-N 3.3Å; Q394-L396 VanDerWaalsContact C-N 3.29Å; Q394-L396 PolarHBondContact O-N 3.5Å; Q394-K397 WeakPolarHBondContact O-CB 3.43Å; Q394-K397 PolarHBondContact O-N 2.91Å |
| 395 | E | 83.3 | Confident | 78.3 | Confident | 125 Ų | 125 | 55.7 Ų | 55.7 | 58% | 0.584 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -54.5 | -42.5 | 173 | -70.6 | 173.6 | 157.1 | 0 | 0 | 112.2 | E391 K397 T398 | E391-E395 WeakPolarHBondContact O-CG 3.46Å; E391-E395 PolarHBondContact O-N 2.71Å; E395-K397 PolarHBondContact O-N 3.08Å; E395-T398 WeakPolarHBondContact O-CB 3.24Å; E395-T398 PolarHBondContact O-N 3.45Å; E395-T398 PolarHBondContact O-OG1 3.24Å |
| 396 | L | 83.9 | Confident | 79.1 | Confident | 14 Ų | 14 | 58 Ų | 58 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -26.9 | -178.1 | -67.2 | 176.9 | 0 | 0 | 0 | 113.8 | M379 R392 T393 Q394 T398 A399 F400 P410 I412 A588 C589 | M379-L396 HydrophobicContact CE-CB 4.04Å; R392-L396 WeakPolarHBondContact O-CG 3.34Å; T393-L396 PolarHBondContact O-N 3.36Å; Q394-L396 VanDerWaalsContact C-N 3.29Å; Q394-L396 PolarHBondContact O-N 3.5Å; L396-T398 PolarHBondContact O-N 3.01Å; L396-A399 PolarHBondContact O-N 2.88Å; L396-F400 WeakPolarHBondContact O-CB 3.45Å; L396-F400 PolarHBondContact O-N 3.1Å; L396-P410 HydrophobicContact CD2-CB 3.75Å; L396-P410 HydrophobicContact CD2-CG 3.52Å; L396-I412 HydrophobicContact CB-CD1 4.33Å; L396-I412 HydrophobicContact CD2-CD1 4.48Å; L396-A588 HydrophobicContact CD1-CB 4.32Å; L396-C589 HydrophobicContact CD1-CB 3.82Å |
| 397 | K | 84.9 | Confident | 79.3 | Confident | 43 Ų | 43 | 64.8 Ų | 64.8 | 19% | 0.187 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.3 | -29.9 | 173.7 | 164.2 | -178.7 | 167.1 | -174 | 0 | 112 | V375 E376 M379 F386 Q394 E395 F400 L401 | V375-K397 HydrophobicContact CG1-CB 4.4Å; V375-K397 HydrophobicContact CG1-CG 4.08Å; E376-K397 HydrophobicContact CG-CD 4.3Å; E376-K397 WeakPolarHBondContact OE1-CE 3.46Å; E376-K397 IonicContact OE1-NZ 3.01Å; E376-K397 PolarHBondContact OE1-NZ 3.13Å; M379-K397 HydrophobicContact SD-CB 4.36Å; F386-K397 HydrophobicContact CD1-CD 4.08Å; F386-K397 HydrophobicContact CE1-CB 4.1Å; F386-K397 HydrophobicContact CE1-CD 3.46Å; F386-K397 VanDerWaalsContact CE1-CD 3.46Å; F386-K397 HydrophobicContact CE1-CG 4.44Å; F386-K397 HydrophobicContact CE2-CB 4.04Å; F386-K397 HydrophobicContact CE2-CD 4.22Å; F386-K397 HydrophobicContact CZ-CB 3.38Å; F386-K397 HydrophobicContact CZ-CD 3.54Å; F386-K397 HydrophobicContact CZ-CG 4.09Å; Q394-K397 WeakPolarHBondContact O-CB 3.43Å; Q394-K397 PolarHBondContact O-N 2.91Å; E395-K397 PolarHBondContact O-N 3.08Å; K397-F400 PolarHBondContact O-N 3Å; K397-L401 HydrophobicContact CG-CD1 3.95Å; K397-L401 HydrophobicContact CG-CG 4.48Å; K397-L401 WeakPolarHBondContact O-CB 3.43Å; K397-L401 VanDerWaalsContact O-CG 3.31Å; K397-L401 WeakPolarHBondContact O-CG 3.46Å; K397-L401 PolarHBondContact O-N 3.3Å |
| 398 | T | 84.5 | Confident | 79.6 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 49% | 0.491 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.1 | -44.8 | 175.8 | 69.9 | 0 | 0 | 0 | 0 | 111.5 | E395 L396 F400 L401 Q402 | E395-T398 WeakPolarHBondContact O-CB 3.24Å; E395-T398 PolarHBondContact O-N 3.45Å; E395-T398 PolarHBondContact O-OG1 3.24Å; L396-T398 PolarHBondContact O-N 3.01Å; T398-F400 VanDerWaalsContact C-N 3.29Å; T398-F400 PolarHBondContact O-N 3.22Å; T398-L401 PolarHBondContact O-N 3.2Å; T398-Q402 WeakPolarHBondContact O-CB 3.43Å; T398-Q402 VanDerWaalsContact O-CG 3.29Å; T398-Q402 WeakPolarHBondContact O-CG 3.47Å; T398-Q402 PolarHBondContact O-N 2.82Å |
| 399 | A | 82.4 | Confident | 80.1 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.7 | -29.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L396 C403 P410 S499 | L396-A399 PolarHBondContact O-N 2.88Å; A399-C403 PolarHBondContact O-N 3.29Å; A399-P410 HydrophobicContact CB-CG 3.86Å; A399-S499 WeakPolarHBondContact O-CB 3.35Å; A399-S499 PolarHBondContact O-OG 2.81Å |
| 400 | F | 82.6 | Confident | 80.6 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 1% | 0.013 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.1 | -47.8 | 173.4 | -162.8 | -73 | 0 | 0 | 0 | 111.6 | M370 V375 L378 M379 L396 K397 T398 C403 I412 Y498 F592 | M370-F400 HydrophobicContact CE-CE1 4.49Å; M370-F400 HydrophobicContact SD-CE1 3.78Å; V375-F400 HydrophobicContact CB-CD1 4.08Å; V375-F400 HydrophobicContact CB-CE1 4.2Å; V375-F400 HydrophobicContact CG1-CB 4.08Å; V375-F400 HydrophobicContact CG1-CD1 3.46Å; V375-F400 VanDerWaalsContact CG1-CD1 3.46Å; V375-F400 HydrophobicContact CG1-CD2 4.43Å; V375-F400 HydrophobicContact CG1-CE1 3.88Å; V375-F400 HydrophobicContact CG1-CG 3.76Å; V375-F400 HydrophobicContact CG2-CD1 3.55Å; V375-F400 HydrophobicContact CG2-CE1 3.71Å; L378-F400 HydrophobicContact CD1-CZ 4.06Å; M379-F400 HydrophobicContact SD-CD2 4.33Å; L396-F400 WeakPolarHBondContact O-CB 3.45Å; L396-F400 PolarHBondContact O-N 3.1Å; K397-F400 PolarHBondContact O-N 3Å; T398-F400 VanDerWaalsContact C-N 3.29Å; T398-F400 PolarHBondContact O-N 3.22Å; F400-C403 PolarHBondContact O-N 3.45Å; F400-I412 HydrophobicContact CD2-CD1 4.39Å; F400-I412 HydrophobicContact CD2-CG2 4.25Å; F400-I412 HydrophobicContact CE2-CG2 4.27Å; F400-Y498 HydrophobicContact CD1-CD1 4.37Å; F400-Y498 HydrophobicContact CD2-CG 4.31Å; F400-Y498 AromaticContact CE1-CD1 3.46Å; F400-Y498 HydrophobicContact CE1-CD1 3.46Å; F400-Y498 VanDerWaalsContact CE1-CD1 3.46Å; F400-Y498 HydrophobicContact CE1-CE1 4.04Å; F400-Y498 HydrophobicContact CE1-CG 4.01Å; F400-Y498 VanDerWaalsContact CE2-CB 3.43Å; F400-Y498 AromaticContact CE2-CD1 3.82Å; F400-Y498 HydrophobicContact CE2-CD1 3.82Å; F400-Y498 HydrophobicContact CE2-CD2 4.02Å; F400-Y498 AromaticContact CE2-CG 3.5Å; F400-Y498 HydrophobicContact CE2-CG 3.5Å; F400-Y498 VanDerWaalsContact CE2-CG 3.5Å; F400-Y498 AromaticContact CZ-CD1 3.13Å; F400-Y498 HydrophobicContact CZ-CD1 3.13Å; F400-Y498 HydrophobicContact CZ-CD2 4.01Å; F400-Y498 AromaticContact CZ-CE1 3.63Å; F400-Y498 HydrophobicContact CZ-CE1 3.63Å; F400-Y498 HydrophobicContact CZ-CE2 4.41Å; F400-Y498 AromaticContact CZ-CG 3.34Å; F400-Y498 HydrophobicContact CZ-CG 3.34Å; F400-F592 HydrophobicContact CE2-CE2 4.12Å; F400-F592 AromaticContact CE2-CZ 3.72Å; F400-F592 HydrophobicContact CE2-CZ 3.72Å |
| 401 | L | 85.1 | Confident | 81.2 | Confident | 53 Ų | 53 | 65.1 Ų | 65.1 | 28% | 0.277 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 177.4 | -77 | 167.5 | 0 | 0 | 0 | 112.7 | M370 A372 V375 K397 T398 C403 | M370-L401 WeakPolarHBondContact O-CD2 3.43Å; A372-L401 HydrophobicContact CB-CD2 4.29Å; V375-L401 HydrophobicContact CG2-CD2 3.74Å; V375-L401 HydrophobicContact CG2-CG 4.19Å; K397-L401 HydrophobicContact CG-CD1 3.95Å; K397-L401 HydrophobicContact CG-CG 4.48Å; K397-L401 WeakPolarHBondContact O-CB 3.43Å; K397-L401 VanDerWaalsContact O-CG 3.31Å; K397-L401 WeakPolarHBondContact O-CG 3.46Å; K397-L401 PolarHBondContact O-N 3.3Å; T398-L401 PolarHBondContact O-N 3.2Å; L401-C403 PolarHBondContact O-N 2.82Å |
| 402 | Q | 83.8 | Confident | 81.8 | Confident | 127 Ų | 127 | 57.5 Ų | 57.5 | 59% | 0.593 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -13.3 | 177.1 | -70.2 | 173.9 | 2.2 | 0 | 0 | 113.3 | L368 T398 S404 | L368-Q402 VanDerWaalsContact CD2-O 3.29Å; L368-Q402 WeakPolarHBondContact CD2-O 3.24Å; T398-Q402 WeakPolarHBondContact O-CB 3.43Å; T398-Q402 VanDerWaalsContact O-CG 3.29Å; T398-Q402 WeakPolarHBondContact O-CG 3.47Å; T398-Q402 PolarHBondContact O-N 2.82Å; Q402-S404 PolarHBondContact O-N 3.17Å |
| 403 | C | 82 | Confident | 82.4 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 44.1 | 40 | -175.9 | -152 | 0 | 0 | 0 | 0 | 112.9 | L368 A399 F400 L401 S405 Y498 A564 | L368-C403 HydrophobicContact CD2-CB 3.85Å; A399-C403 PolarHBondContact O-N 3.29Å; F400-C403 PolarHBondContact O-N 3.45Å; L401-C403 PolarHBondContact O-N 2.82Å; C403-S405 PolarHBondContact O-N 3.19Å; C403-Y498 WeakPolarHBondContact CA-O 3.42Å; C403-Y498 PolarHBondContact SG-O 3.43Å; C403-A564 WeakPolarHBondContact O-CB 3.29Å |
| 404 | S | 80.9 | Confident | 82.9 | Confident | 23 Ų | 23 | 52.1 Ų | 52.1 | 16% | 0.161 | 27% | 0.273 | C | S | . | . | trans | -72.1 | 132.6 | -166.6 | 55.5 | 0 | 0 | 0 | 0 | 111.5 | Q402 E406 A409 G500 | Q402-S404 PolarHBondContact O-N 3.17Å; S404-E406 VanDerWaalsContact C-N 3.35Å; S404-A409 WeakPolarHBondContact OG-CB 3.29Å; S404-G500 WeakPolarHBondContact O-CA 3.25Å; S404-G500 PolarHBondContact O-N 2.87Å | ||
| 405 | S | 78.4 | Confident | 83.4 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | trans | -95.6 | 12.1 | -179.8 | -60.2 | 0 | 0 | 0 | 0 | 113 | C403 T501 A564 | C403-S405 PolarHBondContact O-N 3.19Å; S405-T501 PolarHBondContact O-OG1 2.87Å; S405-A564 PolarHBondContact OG-N 3.16Å | ||
| 406 | E | 78.5 | Confident | 83.6 | Confident | 135 Ų | 135 | 42.6 Ų | 42.6 | 63% | 0.631 | 23% | 0.229 | S | C | * | . | trans | -66.4 | 153.2 | -176.6 | -63 | -170.6 | -179.1 | 0 | 0 | 112.7 | S404 N408 A409 | S404-E406 VanDerWaalsContact C-N 3.35Å; E406-N408 VanDerWaalsContact C-N 3.25Å; E406-N408 PolarHBondContact O-N 2.67Å; E406-A409 HydrophobicContact CB-CB 4.28Å; E406-A409 WeakPolarHBondContact O-CB 3.35Å; E406-A409 PolarHBondContact O-N 2.93Å; E406-A409 VanDerWaalsContact O-N 3.13Å | ||
| 407 | I | 71.3 | Confident | 83.8 | Confident | 153 Ų | 153 | 42.5 Ų | 42.5 | 79% | 0.785 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -29.5 | -176.7 | -61.5 | 172 | 0 | 0 | 0 | 111.8 | ||
| 408 | N | 73.4 | Confident | 84 | Confident | 155 Ų | 155 | 40.5 Ų | 40.5 | 83% | 0.829 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -3.3 | 177.6 | -67.9 | 0.1 | 0 | 0 | 0 | 113.2 | E406 | E406-N408 VanDerWaalsContact C-N 3.25Å; E406-N408 PolarHBondContact O-N 2.67Å |
| 409 | A | 80.1 | Confident | 84 | Confident | 14 Ų | 14 | 39 Ų | 39 | 12% | 0.116 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -72.6 | 138.3 | -180 | 0 | 0 | 0 | 0 | 0 | 110.6 | S404 E406 V411 | S404-A409 WeakPolarHBondContact OG-CB 3.29Å; E406-A409 HydrophobicContact CB-CB 4.28Å; E406-A409 WeakPolarHBondContact O-CB 3.35Å; E406-A409 PolarHBondContact O-N 2.93Å; E406-A409 VanDerWaalsContact O-N 3.13Å; A409-V411 PolarHBondContact O-N 2.68Å; A409-V411 VanDerWaalsContact O-N 3.14Å |
| 410 | P | 84.1 | Confident | 84.1 | Confident | 38 Ų | 38 | 39 Ų | 39 | 25% | 0.247 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -65.6 | 117.1 | 179.9 | 26.9 | -33.4 | 0 | 0 | 0 | 109.8 | L396 A399 I412 | L396-P410 HydrophobicContact CD2-CB 3.75Å; L396-P410 HydrophobicContact CD2-CG 3.52Å; A399-P410 HydrophobicContact CB-CG 3.86Å; P410-I412 PolarHBondContact O-N 2.92Å |
| 411 | V | 88.4 | Confident | 84.1 | Confident | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -60 | 128 | 175.5 | 170.5 | 0 | 0 | 0 | 0 | 109.6 | A409 I413 S499 V502 S584 A585 | A409-V411 PolarHBondContact O-N 2.68Å; A409-V411 VanDerWaalsContact O-N 3.14Å; V411-I413 HydrophobicContact CG1-CD1 3.92Å; V411-I413 HydrophobicContact CG1-CG1 3.73Å; V411-S499 WeakPolarHBondContact CA-O 3.24Å; V411-V502 HydrophobicContact CG1-CG2 3.74Å; V411-S584 WeakPolarHBondContact O-CA 3.39Å; V411-S584 WeakPolarHBondContact O-CB 3.42Å; V411-S584 PolarHBondContact O-OG 3.43Å; V411-A585 HydrophobicContact CB-CB 4.13Å; V411-A585 PolarHBondContact O-N 3.39Å; V411-A585 VanDerWaalsContact O-N 3.1Å |
| 412 | I | 90.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 121.6 | 174.6 | -60.4 | 174.1 | 0 | 0 | 0 | 108.6 | L396 F400 P410 Y498 S499 F592 | L396-I412 HydrophobicContact CB-CD1 4.33Å; L396-I412 HydrophobicContact CD2-CD1 4.48Å; F400-I412 HydrophobicContact CD2-CD1 4.39Å; F400-I412 HydrophobicContact CD2-CG2 4.25Å; F400-I412 HydrophobicContact CE2-CG2 4.27Å; P410-I412 PolarHBondContact O-N 2.92Å; I412-Y498 PolarHBondContact O-N 3.43Å; I412-S499 PolarHBondContact N-O 2.84Å; I412-S499 PolarHBondContact O-N 2.97Å; I412-F592 HydrophobicContact CG2-CE1 4.33Å; I412-F592 HydrophobicContact CG2-CZ 3.63Å |
| 413 | I | 91.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 141.2 | -177.3 | -32.1 | 172.3 | 0 | 0 | 0 | 109.2 | V411 A495 R496 I497 V502 M568 I570 L583 | V411-I413 HydrophobicContact CG1-CD1 3.92Å; V411-I413 HydrophobicContact CG1-CG1 3.73Å; I413-A495 HydrophobicContact CG2-CB 3.96Å; I413-R496 WeakPolarHBondContact CA-O 3.47Å; I413-R496 VanDerWaalsContact CG2-O 3.23Å; I413-R496 WeakPolarHBondContact CG2-O 3.39Å; I413-I497 HydrophobicContact CG2-CG1 4.2Å; I413-V502 HydrophobicContact CD1-CG1 4.26Å; I413-V502 HydrophobicContact CD1-CG2 3.56Å; I413-V502 HydrophobicContact CG1-CG2 4.05Å; I413-M568 HydrophobicContact CD1-CE 4.15Å; I413-M568 HydrophobicContact CG2-CE 4.05Å; I413-I570 HydrophobicContact CD1-CD1 4.49Å; I413-I570 HydrophobicContact CG2-CD1 4.28Å; I413-L583 HydrophobicContact CB-CB 4.01Å; I413-L583 HydrophobicContact CB-CD1 4.28Å; I413-L583 HydrophobicContact CB-CG 4.41Å; I413-L583 HydrophobicContact CD1-CB 4.14Å; I413-L583 HydrophobicContact CD1-CD1 4.01Å; I413-L583 HydrophobicContact CG1-CB 4.22Å; I413-L583 PolarHBondContact N-O 3.33Å; I413-L583 PolarHBondContact O-N 3.12Å |
| 414 | F | 91.6 | Very high | 83 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.6 | 169.5 | -177 | -118 | 0 | 0 | 0 | 110.4 | R108 L109 S416 A495 R496 Y498 T580 F592 | R108-F414 HydrophobicContact CG-CE1 4.27Å; L109-F414 HydrophobicContact CD2-CD1 4.09Å; F414-S416 WeakPolarHBondContact CE1-OG 3.24Å; F414-A495 CarbonylContact O-C 3.52Å; F414-A495 WeakPolarHBondContact O-CA 3.33Å; F414-A495 WeakPolarHBondContact O-CB 3.39Å; F414-R496 PolarHBondContact N-O 2.96Å; F414-R496 PolarHBondContact O-N 3.34Å; F414-Y498 HydrophobicContact CB-CD2 4.41Å; F414-Y498 HydrophobicContact CB-CE2 3.75Å; F414-T580 HydrophobicContact CZ-CG2 4.23Å; F414-F592 HydrophobicContact CB-CD2 3.96Å; F414-F592 HydrophobicContact CB-CE2 3.89Å; F414-F592 HydrophobicContact CD2-CB 4.13Å; F414-F592 AromaticContact CD2-CD2 3.52Å; F414-F592 HydrophobicContact CD2-CD2 3.52Å; F414-F592 HydrophobicContact CD2-CE2 4.29Å; F414-F592 HydrophobicContact CD2-CG 4.17Å; F414-F592 HydrophobicContact CE2-CB 4.1Å; F414-F592 HydrophobicContact CE2-CD2 4.24Å; F414-F592 AromaticContact CG-CD2 3.88Å; F414-F592 HydrophobicContact CG-CD2 3.88Å; F414-F592 HydrophobicContact CG-CE2 4.33Å |
| 415 | V | 90.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 117 | 168.8 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | M418 A493 A495 L573 V577 T580 A581 L583 | V415-M418 HydrophobicContact CG1-CG 4.44Å; V415-A493 HydrophobicContact CG1-CB 3.8Å; V415-A493 HydrophobicContact CG2-CB 4.13Å; V415-A495 HydrophobicContact CG2-CB 4.12Å; V415-L573 HydrophobicContact CG2-CD1 4.44Å; V415-V577 HydrophobicContact CG1-CG1 4.27Å; V415-T580 WeakPolarHBondContact O-CA 3.4Å; V415-A581 HydrophobicContact CB-CB 4.46Å; V415-A581 PolarHBondContact N-O 2.85Å; V415-A581 PolarHBondContact O-N 3.35Å; V415-L583 HydrophobicContact CG2-CD1 3.82Å; V415-L583 HydrophobicContact CG2-CG 4.1Å |
| 416 | S | 88.1 | Confident | 82.2 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -36.6 | -174.7 | -146.7 | 0 | 0 | 0 | 0 | 112.6 | T105 F414 F494 T580 | T105-S416 VanDerWaalsContact CG2-OG 3.29Å; T105-S416 WeakPolarHBondContact CG2-OG 2.84Å; T105-S416 PolarHBondContact O-OG 3.29Å; F414-S416 WeakPolarHBondContact CE1-OG 3.24Å; S416-F494 PolarHBondContact N-O 3.18Å; S416-T580 WeakPolarHBondContact O-CG2 3.42Å |
| 417 | K | 87.6 | Confident | 81.7 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 164.2 | 168.8 | 62.7 | 176.7 | -177.1 | -177 | 0 | 109.9 | S72 E102 T105 F494 | S72-K417 PolarHBondContact O-NZ 2.89Å; S72-K417 PolarHBondContact OG-NZ 2.87Å; E102-K417 IonicContact OE2-NZ 3.21Å; E102-K417 PolarHBondContact OE2-NZ 3.38Å; T105-K417 HydrophobicContact CG2-CB 4.04Å; T105-K417 HydrophobicContact CG2-CD 4.17Å; T105-K417 HydrophobicContact CG2-CG 4.01Å; K417-F494 HydrophobicContact CG-CB 3.98Å; K417-F494 HydrophobicContact CG-CD1 4.06Å; K417-F494 WeakPolarHBondContact O-CB 3.49Å; K417-F494 PolarHBondContact O-N 2.91Å |
| 418 | M | 88.1 | Confident | 81.4 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 154.1 | 159.5 | -56.8 | -159.6 | -71.8 | 0 | 0 | 109.5 | V415 F491 I492 A493 V577 Q627 A628 | V415-M418 HydrophobicContact CG1-CG 4.44Å; M418-F491 HydrophobicContact CB-CD1 4.24Å; M418-I492 CarbonylContact C-O 3.5Å; M418-I492 WeakPolarHBondContact CA-O 3.39Å; M418-A493 HydrophobicContact CG-CB 4.13Å; M418-A493 HydrophobicContact SD-CB 4.37Å; M418-V577 HydrophobicContact CE-CB 3.9Å; M418-V577 HydrophobicContact CE-CG1 4.14Å; M418-V577 WeakPolarHBondContact CE-O 3.47Å; M418-V577 HydrophobicContact CG-CG1 4.33Å; M418-V577 HydrophobicContact SD-CB 3.85Å; M418-V577 HydrophobicContact SD-CG1 4.07Å; M418-Q627 HydrophobicContact CE-CB 3.78Å; M418-Q627 HydrophobicContact CE-CG 3.78Å; M418-A628 WeakPolarHBondContact O-CA 3.45Å |
| 419 | F | 85.9 | Confident | 80.7 | Confident | 49 Ų | 49 | 31.6 Ų | 31.6 | 22% | 0.215 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 134.1 | 174.5 | 64.6 | -79.8 | 0 | 0 | 0 | 110.6 | V421 F491 I492 F494 L551 | F419-V421 HydrophobicContact CD2-CG2 3.45Å; F419-V421 VanDerWaalsContact CD2-CG2 3.45Å; F419-V421 HydrophobicContact CE2-CG2 3.4Å; F419-V421 HydrophobicContact CZ-CG2 4.47Å; F419-F491 WeakPolarHBondContact O-CA 3.39Å; F419-I492 HydrophobicContact CD1-CB 4.32Å; F419-I492 WeakPolarHBondContact CD1-O 3.28Å; F419-I492 HydrophobicContact CE1-CB 3.8Å; F419-I492 HydrophobicContact CE1-CG2 3.73Å; F419-I492 WeakPolarHBondContact CE1-O 3.48Å; F419-I492 HydrophobicContact CE2-CB 4.12Å; F419-I492 HydrophobicContact CZ-CB 3.68Å; F419-I492 HydrophobicContact CZ-CD1 4.5Å; F419-I492 HydrophobicContact CZ-CG2 3.67Å; F419-I492 PolarHBondContact N-O 3.2Å; F419-I492 PolarHBondContact O-N 3.09Å; F419-F494 HydrophobicContact CD1-CB 3.97Å; F419-F494 HydrophobicContact CE1-CB 3.96Å; F419-L551 HydrophobicContact CE1-CD1 4.45Å; F419-L551 HydrophobicContact CZ-CD1 4.29Å; F419-L551 HydrophobicContact CZ-CD2 3.92Å |
| 420 | A | 84.6 | Confident | 79.8 | Confident | 11 Ų | 11 | 36 Ų | 36 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 136.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | E489 F491 R662 F663 | A420-E489 HydrophobicContact CB-CB 4.24Å; A420-F491 HydrophobicContact CB-CD1 4.26Å; A420-F491 HydrophobicContact CB-CE1 3.85Å; A420-F491 HydrophobicContact CB-CE2 4.08Å; A420-F491 HydrophobicContact CB-CZ 3.71Å; A420-R662 PolarHBondContact O-NH2 2.87Å; A420-F663 HydrophobicContact CB-CE1 3.66Å; A420-F663 HydrophobicContact CB-CZ 4.31Å |
| 421 | V | 82.3 | Confident | 78.1 | Confident | 15 Ų | 15 | 42.6 Ų | 42.6 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 131.1 | -173.1 | 176.3 | 0 | 0 | 0 | 0 | 109.4 | F419 T423 T425 L426 E489 V490 I492 L556 | F419-V421 HydrophobicContact CD2-CG2 3.45Å; F419-V421 VanDerWaalsContact CD2-CG2 3.45Å; F419-V421 HydrophobicContact CE2-CG2 3.4Å; F419-V421 HydrophobicContact CZ-CG2 4.47Å; V421-T423 PolarHBondContact O-N 3.38Å; V421-T425 WeakPolarHBondContact CG1-OG1 3.27Å; V421-L426 HydrophobicContact CG1-CD2 4.22Å; V421-E489 CarbonylContact O-C 3.48Å; V421-E489 WeakPolarHBondContact O-CA 3.27Å; V421-V490 PolarHBondContact N-O 2.85Å; V421-V490 PolarHBondContact O-N 2.61Å; V421-I492 HydrophobicContact CB-CD1 4.26Å; V421-I492 HydrophobicContact CB-CG1 4.48Å; V421-I492 HydrophobicContact CG1-CD1 4.41Å; V421-I492 HydrophobicContact CG2-CB 4.48Å; V421-I492 HydrophobicContact CG2-CD1 3.84Å; V421-I492 HydrophobicContact CG2-CG1 4.04Å; V421-L556 HydrophobicContact CG1-CD1 3.91Å |
| 422 | D | 79 | Confident | 76.3 | Confident | 68 Ų | 68 | 50.5 Ų | 50.5 | 36% | 0.364 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 131.3 | 173.9 | -68.6 | -59.1 | 0 | 0 | 0 | 111.3 | K424 T425 | D422-K424 PolarHBondContact O-N 2.92Å; D422-T425 HydrophobicContact CB-CG2 4.45Å; D422-T425 PolarHBondContact O-N 3.15Å; D422-T425 PolarHBondContact O-OG1 3.42Å |
| 423 | T | 75.9 | Confident | 74.1 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 13% | 0.129 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -19.9 | 175.7 | 37.5 | 0 | 0 | 0 | 0 | 114.4 | V421 L426 K488 V490 | V421-T423 PolarHBondContact O-N 3.38Å; T423-L426 HydrophobicContact CG2-CD1 3.96Å; T423-K488 WeakPolarHBondContact CB-O 3.46Å; T423-K488 WeakPolarHBondContact CG2-O 3.48Å; T423-K488 PolarHBondContact N-O 3.11Å; T423-K488 PolarHBondContact OG1-O 2.96Å; T423-V490 HydrophobicContact CG2-CG2 3.77Å |
| 424 | K | 71.2 | Confident | 71.9 | Confident | 127 Ų | 127 | 59 Ų | 59 | 55% | 0.552 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -29.7 | 172.6 | -68.6 | 173.1 | 174.8 | 169.3 | 0 | 114.1 | D422 | D422-K424 PolarHBondContact O-N 2.92Š|
| 425 | T | 70.8 | Confident | 69.7 | Low | 56 Ų | 56 | 63.6 Ų | 63.6 | 34% | 0.344 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -11.5 | -177.6 | 65 | 0 | 0 | 0 | 0 | 112.8 | V421 D422 | V421-T425 WeakPolarHBondContact CG1-OG1 3.27Å; D422-T425 HydrophobicContact CB-CG2 4.45Å; D422-T425 PolarHBondContact O-N 3.15Å; D422-T425 PolarHBondContact O-OG1 3.42Å |
| 426 | L | 73.1 | Confident | 67.6 | Low | 12 Ų | 12 | 71.5 Ų | 71.5 | 6% | 0.063 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -62.4 | 144.2 | 179.6 | -67.4 | 176.9 | 0 | 0 | 0 | 112 | V421 T423 Q428 K429 R430 V490 I492 L556 | V421-L426 HydrophobicContact CG1-CD2 4.22Å; T423-L426 HydrophobicContact CG2-CD1 3.96Å; L426-Q428 PolarHBondContact O-N 3.03Å; L426-K429 PolarHBondContact O-N 3.06Å; L426-R430 PolarHBondContact O-N 2.66Å; L426-V490 HydrophobicContact CD1-CB 4.45Å; L426-V490 HydrophobicContact CD1-CG2 4.25Å; L426-I492 HydrophobicContact CD2-CD1 4.27Å; L426-L556 HydrophobicContact CD2-CD1 3.98Å |
| 427 | P | 67.1 | Low | 65.8 | Low | 12 Ų | 12 | 78.2 Ų | 78.2 | 8% | 0.078 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.8 | -173.6 | -21.6 | 32.5 | 0 | 0 | 0 | 114.6 | Y549 L556 E558 | P427-Y549 HydrophobicContact CG-CD1 4.11Å; P427-Y549 HydrophobicContact CG-CE1 4.08Å; P427-L556 HydrophobicContact CG-CB 3.95Å; P427-L556 WeakPolarHBondContact CG-O 3.24Å; P427-E558 HydrophobicContact CB-CB 4.26Å; P427-E558 HydrophobicContact CG-CB 4.18Å |
| 428 | Q | 64.7 | Low | 64.1 | Low | 110 Ų | 110 | 81.8 Ų | 81.8 | 51% | 0.514 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -31.2 | -173.5 | -64.8 | 165.3 | 5.3 | 0 | 0 | 112.7 | L426 N547 E558 | L426-Q428 PolarHBondContact O-N 3.03Å; Q428-N547 PolarHBondContact NE2-ND2 3.07Å; Q428-E558 WeakPolarHBondContact CG-OE2 3.35Å; Q428-E558 PolarHBondContact NE2-OE1 2.86Å; Q428-E558 PolarHBondContact NE2-OE2 3.47Å |
| 429 | K | 59.9 | Low | 62.5 | Low | 109 Ų | 109 | 84.5 Ų | 84.5 | 47% | 0.474 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -14.7 | 176.2 | -62.4 | -162.5 | -179.7 | -170.5 | 0 | 113.1 | L426 Q431 E485 | L426-K429 PolarHBondContact O-N 3.06Å; K429-Q431 PolarHBondContact O-N 3.4Å; K429-E485 IonicContact NZ-OE2 2.66Å; K429-E485 PolarHBondContact NZ-OE2 2.79Å |
| 430 | R | 60.4 | Low | 61 | Low | 108 Ų | 108 | 84.5 Ų | 84.5 | 41% | 0.408 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -72 | 125 | 178.9 | -168.1 | 177.2 | -174.6 | -163.2 | 4.9 | 111.7 | L426 R432 E555 | L426-R430 PolarHBondContact O-N 2.66Å; R430-R432 PolarHBondContact O-N 3Å; R430-E555 IonicContact CZ-OE1 3.5Å; R430-E555 IonicContact CZ-OE2 2.7Å; R430-E555 IonicContact NH1-OE1 2.76Å; R430-E555 IonicContact NH1-OE2 2.98Å; R430-E555 PolarHBondContact NH1-OE2 3.38Å; R430-E555 IonicContact NH2-OE1 3.64Å; R430-E555 PolarHBondContact NH2-OE1 3.09Å; R430-E555 IonicContact NH2-OE2 3.45Å; R430-E555 PolarHBondContact NH2-OE2 3.32Å |
| 431 | Q | 49.5 | Very low | 59.9 | Low | 175 Ų | 175 | 90 Ų | 90 | 82% | 0.818 | 44% | 0.44 | S | S | * | . | trans | -65.6 | 97.9 | 170.5 | -63.6 | -173.8 | 9.3 | 0 | 0 | 110 | K429 | K429-Q431 PolarHBondContact O-N 3.4Š| ||
| 432 | R | 49.6 | Very low | 58.8 | Low | 171 Ų | 171 | 97.1 Ų | 97.1 | 65% | 0.645 | 47% | 0.465 | S | S | * | . | trans | -60.7 | 134.6 | 177.5 | -65.8 | -175.3 | -177.8 | -174.4 | -1 | 110.3 | R430 L434 | R430-R432 PolarHBondContact O-N 3Å; R432-L434 PolarHBondContact O-N 3.05Å | ||
| 433 | P | 45.3 | Very low | 57.7 | Low | 123 Ų | 123 | 102 Ų | 102 | 80% | 0.799 | 48% | 0.478 | S | S | * | . | trans | -65.4 | 108.8 | 168.5 | 27.9 | -32.4 | 0 | 0 | 0 | 108.4 | ||||
| 434 | L | 44.8 | Very low | 56.9 | Low | 57 Ų | 57 | 105.6 Ų | 105.6 | 30% | 0.298 | 49% | 0.494 | S | S | . | . | trans | -61.8 | 138.1 | -172 | -66.2 | 162.1 | 0 | 0 | 0 | 111.7 | R432 E438 I439 R442 | R432-L434 PolarHBondContact O-N 3.05Å; L434-E438 HydrophobicContact CB-CB 4.33Å; L434-E438 HydrophobicContact CD2-CB 4.21Å; L434-I439 HydrophobicContact CB-CD1 4.14Å; L434-I439 HydrophobicContact CB-CG1 3.5Å; L434-I439 VanDerWaalsContact CB-CG1 3.5Å; L434-I439 HydrophobicContact CD1-CG1 4.34Å; L434-I439 WeakPolarHBondContact O-CD1 3.47Å; L434-R442 VanDerWaalsContact CD2-CZ 3.48Å | ||
| 435 | N | 46 | Very low | 56.7 | Low | 98 Ų | 98 | 102.6 Ų | 102.6 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | trans | -65.9 | 155.3 | 174.3 | -164.7 | 5.1 | 0 | 0 | 0 | 110.5 | E437 E438 I439 | N435-E437 PolarHBondContact O-N 3.16Å; N435-E438 HydrophobicContact CB-CB 4.42Å; N435-E438 HydrophobicContact CB-CG 4.06Å; N435-E438 PolarHBondContact N-OE2 3.2Å; N435-E438 CarbonylContact O-C 3.45Å; N435-E438 WeakPolarHBondContact O-CB 3.29Å; N435-E438 PolarHBondContact O-N 3.35Å; N435-I439 WeakPolarHBondContact O-CG1 3.39Å; N435-I439 PolarHBondContact O-N 3.48Å | ||
| 436 | Q | 45.7 | Very low | 56.3 | Low | 167 Ų | 167 | 102.5 Ų | 102.5 | 78% | 0.78 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60 | -33.9 | -174.4 | -72.8 | -168.7 | -6.3 | 0 | 0 | 113 | I439 A440 | Q436-I439 PolarHBondContact O-N 2.92Å; Q436-A440 PolarHBondContact O-N 3.01Å |
| 437 | E | 49.8 | Very low | 55.8 | Low | 141 Ų | 141 | 109.3 Ų | 109.3 | 66% | 0.659 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -71.6 | -38.8 | 173.7 | -62.8 | -177.7 | 134.4 | 0 | 0 | 112.4 | N435 I439 A440 Q441 | N435-E437 PolarHBondContact O-N 3.16Å; E437-I439 VanDerWaalsContact C-N 3.32Å; E437-I439 PolarHBondContact O-N 3.32Å; E437-A440 WeakPolarHBondContact O-CB 3.34Å; E437-A440 PolarHBondContact O-N 3.19Å; E437-Q441 WeakPolarHBondContact O-CB 3.44Å; E437-Q441 WeakPolarHBondContact O-CG 3.44Å; E437-Q441 PolarHBondContact O-N 3.47Å |
| 438 | E | 52.3 | Low | 55.6 | Low | 86 Ų | 86 | 113.8 Ų | 113.8 | 40% | 0.402 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -35 | 173.1 | -63.8 | -179.9 | 128.2 | 0 | 0 | 111.7 | L434 N435 R442 | L434-E438 HydrophobicContact CB-CB 4.33Å; L434-E438 HydrophobicContact CD2-CB 4.21Å; N435-E438 HydrophobicContact CB-CB 4.42Å; N435-E438 HydrophobicContact CB-CG 4.06Å; N435-E438 PolarHBondContact N-OE2 3.2Å; N435-E438 CarbonylContact O-C 3.45Å; N435-E438 WeakPolarHBondContact O-CB 3.29Å; N435-E438 PolarHBondContact O-N 3.35Å; E438-R442 VanDerWaalsContact O-CB 3.25Å; E438-R442 WeakPolarHBondContact O-CB 3.39Å; E438-R442 WeakPolarHBondContact O-CG 3.42Å; E438-R442 PolarHBondContact O-N 3.35Å |
| 439 | I | 54.1 | Low | 55.9 | Low | 58 Ų | 58 | 116.6 Ų | 116.6 | 30% | 0.297 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 171.9 | -66.9 | 172.6 | 0 | 0 | 0 | 109.9 | L434 N435 Q436 E437 R443 | L434-I439 HydrophobicContact CB-CD1 4.14Å; L434-I439 HydrophobicContact CB-CG1 3.5Å; L434-I439 VanDerWaalsContact CB-CG1 3.5Å; L434-I439 HydrophobicContact CD1-CG1 4.34Å; L434-I439 WeakPolarHBondContact O-CD1 3.47Å; N435-I439 WeakPolarHBondContact O-CG1 3.39Å; N435-I439 PolarHBondContact O-N 3.48Å; Q436-I439 PolarHBondContact O-N 2.92Å; E437-I439 VanDerWaalsContact C-N 3.32Å; E437-I439 PolarHBondContact O-N 3.32Å; I439-R443 HydrophobicContact CG2-CG 4.46Å; I439-R443 VanDerWaalsContact O-CB 3.28Å; I439-R443 WeakPolarHBondContact O-CB 3.38Å; I439-R443 WeakPolarHBondContact O-CD 3.39Å; I439-R443 WeakPolarHBondContact O-CG 3.29Å; I439-R443 PolarHBondContact O-N 2.9Å |
| 440 | A | 54.3 | Low | 56 | Low | 50 Ų | 50 | 117 Ų | 117 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.4 | -50.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q436 E437 R442 R443 E444 | Q436-A440 PolarHBondContact O-N 3.01Å; E437-A440 WeakPolarHBondContact O-CB 3.34Å; E437-A440 PolarHBondContact O-N 3.19Å; A440-R442 PolarHBondContact O-N 3.43Å; A440-R443 CarbonylContact O-C 3.44Å; A440-R443 WeakPolarHBondContact O-CA 3.48Å; A440-R443 WeakPolarHBondContact O-CB 3.48Å; A440-R443 PolarHBondContact O-N 3.24Å; A440-R443 VanDerWaalsContact O-N 3.13Å; A440-E444 WeakPolarHBondContact O-CB 3.24Å; A440-E444 PolarHBondContact O-N 3.09Å |
| 441 | Q | 61.3 | Low | 56.4 | Low | 125 Ų | 125 | 114.6 Ų | 114.6 | 58% | 0.584 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.3 | -44.5 | 176.8 | -70.9 | 176.7 | 5.5 | 0 | 0 | 112.1 | E437 R443 E444 V445 | E437-Q441 WeakPolarHBondContact O-CB 3.44Å; E437-Q441 WeakPolarHBondContact O-CG 3.44Å; E437-Q441 PolarHBondContact O-N 3.47Å; Q441-R443 VanDerWaalsContact C-N 3.33Å; Q441-R443 PolarHBondContact O-N 2.96Å; Q441-E444 WeakPolarHBondContact O-CB 3.29Å; Q441-E444 PolarHBondContact O-N 2.75Å; Q441-E444 VanDerWaalsContact O-N 3.07Å; Q441-V445 WeakPolarHBondContact O-CG2 3.39Å; Q441-V445 PolarHBondContact O-N 3.09Å |
| 442 | R | 59.4 | Low | 57.4 | Low | 165 Ų | 165 | 112.1 Ų | 112.1 | 62% | 0.623 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.8 | -33.2 | 174.7 | -74.9 | -174.2 | -179.6 | -160.3 | 3 | 112.4 | L434 E438 A440 E444 A446 | L434-R442 VanDerWaalsContact CD2-CZ 3.48Å; E438-R442 VanDerWaalsContact O-CB 3.25Å; E438-R442 WeakPolarHBondContact O-CB 3.39Å; E438-R442 WeakPolarHBondContact O-CG 3.42Å; E438-R442 PolarHBondContact O-N 3.35Å; A440-R442 PolarHBondContact O-N 3.43Å; R442-E444 VanDerWaalsContact C-N 3.3Å; R442-A446 WeakPolarHBondContact O-CB 3.27Å; R442-A446 PolarHBondContact O-N 2.99Å |
| 443 | R | 55.8 | Low | 58.3 | Low | 170 Ų | 170 | 110.9 Ų | 110.9 | 64% | 0.642 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.4 | -22.7 | 170.5 | -75.1 | 170.6 | 177.9 | -176.3 | 0.6 | 113.2 | I439 A440 Q441 R447 | I439-R443 HydrophobicContact CG2-CG 4.46Å; I439-R443 VanDerWaalsContact O-CB 3.28Å; I439-R443 WeakPolarHBondContact O-CB 3.38Å; I439-R443 WeakPolarHBondContact O-CD 3.39Å; I439-R443 WeakPolarHBondContact O-CG 3.29Å; I439-R443 PolarHBondContact O-N 2.9Å; A440-R443 CarbonylContact O-C 3.44Å; A440-R443 WeakPolarHBondContact O-CA 3.48Å; A440-R443 WeakPolarHBondContact O-CB 3.48Å; A440-R443 PolarHBondContact O-N 3.24Å; A440-R443 VanDerWaalsContact O-N 3.13Å; Q441-R443 VanDerWaalsContact C-N 3.33Å; Q441-R443 PolarHBondContact O-N 2.96Å; R443-R447 WeakPolarHBondContact O-CB 3.47Å; R443-R447 WeakPolarHBondContact O-CG 3.16Å; R443-R447 PolarHBondContact O-N 2.87Å; R443-R447 PolarHBondContact O-NE 3.1Å |
| 444 | E | 59.6 | Low | 59 | Low | 98 Ų | 98 | 109.3 Ų | 109.3 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -81.1 | -51.2 | 175.1 | -158.4 | 122.4 | -96.4 | 0 | 0 | 110.8 | A440 Q441 R442 A446 R447 Q448 | A440-E444 WeakPolarHBondContact O-CB 3.24Å; A440-E444 PolarHBondContact O-N 3.09Å; Q441-E444 WeakPolarHBondContact O-CB 3.29Å; Q441-E444 PolarHBondContact O-N 2.75Å; Q441-E444 VanDerWaalsContact O-N 3.07Å; R442-E444 VanDerWaalsContact C-N 3.3Å; E444-A446 VanDerWaalsContact C-N 3.29Å; E444-A446 PolarHBondContact O-N 2.98Å; E444-R447 CarbonylContact O-C 3.36Å; E444-R447 WeakPolarHBondContact O-CA 3.03Å; E444-R447 WeakPolarHBondContact O-CB 3.4Å; E444-R447 PolarHBondContact O-N 3.28Å; E444-R447 IonicContact OE1-CZ 3.65Å; E444-R447 IonicContact OE1-NH1 3.91Å; E444-R447 IonicContact OE1-NH2 2.8Å; E444-R447 PolarHBondContact OE1-NH2 3.44Å; E444-Q448 WeakPolarHBondContact O-CG 3.36Å; E444-Q448 PolarHBondContact O-N 3.06Å |
| 445 | V | 67.3 | Low | 59.9 | Low | 63 Ų | 63 | 109 Ų | 109 | 38% | 0.382 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.7 | -35.7 | 172.9 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | Q441 Q448 R449 | Q441-V445 WeakPolarHBondContact O-CG2 3.39Å; Q441-V445 PolarHBondContact O-N 3.09Å; V445-Q448 PolarHBondContact O-N 2.91Å; V445-R449 HydrophobicContact CG1-CG 4.48Å; V445-R449 WeakPolarHBondContact O-CB 3.44Å; V445-R449 WeakPolarHBondContact O-CG 3.27Å; V445-R449 PolarHBondContact O-N 3.14Å |
| 446 | A | 61.6 | Low | 60.7 | Low | 54 Ų | 54 | 106.7 Ų | 106.7 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.3 | -37.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R442 E444 H450 | R442-A446 WeakPolarHBondContact O-CB 3.27Å; R442-A446 PolarHBondContact O-N 2.99Å; E444-A446 VanDerWaalsContact C-N 3.29Å; E444-A446 PolarHBondContact O-N 2.98Å; A446-H450 WeakPolarHBondContact O-CB 3.34Å; A446-H450 PolarHBondContact O-N 2.84Å |
| 447 | R | 62.5 | Low | 61.3 | Low | 155 Ų | 155 | 102.4 Ų | 102.4 | 59% | 0.585 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.1 | -39.3 | 172.3 | -86.8 | 178.6 | -68.3 | 151.3 | 9.5 | 111.9 | R443 E444 H450 A451 | R443-R447 WeakPolarHBondContact O-CB 3.47Å; R443-R447 WeakPolarHBondContact O-CG 3.16Å; R443-R447 PolarHBondContact O-N 2.87Å; R443-R447 PolarHBondContact O-NE 3.1Å; E444-R447 CarbonylContact O-C 3.36Å; E444-R447 WeakPolarHBondContact O-CA 3.03Å; E444-R447 WeakPolarHBondContact O-CB 3.4Å; E444-R447 PolarHBondContact O-N 3.28Å; E444-R447 IonicContact OE1-CZ 3.65Å; E444-R447 IonicContact OE1-NH1 3.91Å; E444-R447 IonicContact OE1-NH2 2.8Å; E444-R447 PolarHBondContact OE1-NH2 3.44Å; R447-H450 PolarHBondContact O-N 3Å; R447-A451 VanDerWaalsContact O-CB 3.3Å; R447-A451 WeakPolarHBondContact O-CB 3.23Å; R447-A451 PolarHBondContact O-N 2.67Å |
| 448 | Q | 64.5 | Low | 61.5 | Low | 107 Ų | 107 | 99.1 Ų | 99.1 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -54.2 | 173.4 | -72.6 | 168.4 | -15.9 | 0 | 0 | 110.4 | E444 V445 H450 A451 E452 | E444-Q448 WeakPolarHBondContact O-CG 3.36Å; E444-Q448 PolarHBondContact O-N 3.06Å; V445-Q448 PolarHBondContact O-N 2.91Å; Q448-H450 VanDerWaalsContact C-N 3.25Å; Q448-H450 PolarHBondContact O-N 3.43Å; Q448-A451 CarbonylContact O-C 3.55Å; Q448-A451 WeakPolarHBondContact O-CA 3.39Å; Q448-A451 WeakPolarHBondContact O-CB 3.5Å; Q448-A451 PolarHBondContact O-N 2.76Å; Q448-E452 WeakPolarHBondContact O-CB 3.45Å; Q448-E452 VanDerWaalsContact O-CG 3.29Å; Q448-E452 WeakPolarHBondContact O-CG 3.47Å; Q448-E452 PolarHBondContact O-N 3.36Å |
| 449 | R | 70.2 | Confident | 61.5 | Low | 168 Ų | 168 | 101.3 Ų | 101.3 | 63% | 0.634 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.6 | -30.3 | 176 | -72.1 | 177.6 | 176.7 | -172.7 | -1.2 | 113.9 | V445 E452 K453 | V445-R449 HydrophobicContact CG1-CG 4.48Å; V445-R449 WeakPolarHBondContact O-CB 3.44Å; V445-R449 WeakPolarHBondContact O-CG 3.27Å; V445-R449 PolarHBondContact O-N 3.14Å; R449-E452 WeakPolarHBondContact CA-OE2 3.46Å; R449-K453 WeakPolarHBondContact O-CB 3.38Å; R449-K453 WeakPolarHBondContact O-CG 3.23Å; R449-K453 PolarHBondContact O-N 3.12Å |
| 450 | H | 63.1 | Low | 61.3 | Low | 119 Ų | 119 | 104.4 Ų | 104.4 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -77.1 | -34.2 | 173.8 | -166.8 | -59.4 | 0 | 0 | 0 | 111.9 | A446 R447 Q448 L454 | A446-H450 WeakPolarHBondContact O-CB 3.34Å; A446-H450 PolarHBondContact O-N 2.84Å; R447-H450 PolarHBondContact O-N 3Å; Q448-H450 VanDerWaalsContact C-N 3.25Å; Q448-H450 PolarHBondContact O-N 3.43Å; H450-L454 WeakPolarHBondContact ND1-CD1 3.2Å; H450-L454 WeakPolarHBondContact O-CB 2.87Å; H450-L454 VanDerWaalsContact O-CG 3.26Å; H450-L454 WeakPolarHBondContact O-CG 3.42Å; H450-L454 PolarHBondContact O-N 2.93Å |
| 451 | A | 68.5 | Low | 60.9 | Low | 57 Ų | 57 | 110.3 Ų | 110.3 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.4 | -40.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | R447 Q448 L454 A455 | R447-A451 VanDerWaalsContact O-CB 3.3Å; R447-A451 WeakPolarHBondContact O-CB 3.23Å; R447-A451 PolarHBondContact O-N 2.67Å; Q448-A451 CarbonylContact O-C 3.55Å; Q448-A451 WeakPolarHBondContact O-CA 3.39Å; Q448-A451 WeakPolarHBondContact O-CB 3.5Å; Q448-A451 PolarHBondContact O-N 2.76Å; A451-L454 PolarHBondContact O-N 3.44Å; A451-A455 VanDerWaalsContact O-CB 3.28Å; A451-A455 WeakPolarHBondContact O-CB 3.43Å; A451-A455 PolarHBondContact O-N 3.19Å |
| 452 | E | 69.1 | Low | 60.3 | Low | 122 Ų | 122 | 108.2 Ų | 108.2 | 57% | 0.57 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.6 | -43.3 | 171.2 | -71.1 | 163.7 | 179.6 | 0 | 0 | 111.2 | Q448 R449 A455 A456 | Q448-E452 WeakPolarHBondContact O-CB 3.45Å; Q448-E452 VanDerWaalsContact O-CG 3.29Å; Q448-E452 WeakPolarHBondContact O-CG 3.47Å; Q448-E452 PolarHBondContact O-N 3.36Å; R449-E452 WeakPolarHBondContact CA-OE2 3.46Å; E452-A455 PolarHBondContact O-N 3.23Å; E452-A456 WeakPolarHBondContact O-CB 3.44Å; E452-A456 PolarHBondContact O-N 3.09Å |
| 453 | K | 69.1 | Low | 59.8 | Low | 145 Ų | 145 | 105.6 Ų | 105.6 | 63% | 0.63 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66 | -41.3 | 172.7 | -82.4 | -169.7 | 170.5 | -161.5 | 0 | 113.1 | R449 A455 A456 E457 | R449-K453 WeakPolarHBondContact O-CB 3.38Å; R449-K453 WeakPolarHBondContact O-CG 3.23Å; R449-K453 PolarHBondContact O-N 3.12Å; K453-A455 VanDerWaalsContact C-N 3.29Å; K453-A455 PolarHBondContact O-N 2.98Å; K453-A456 PolarHBondContact O-N 3.02Å; K453-E457 WeakPolarHBondContact O-CB 3.45Å; K453-E457 WeakPolarHBondContact O-CG 3Å; K453-E457 PolarHBondContact O-N 2.85Å |
| 454 | L | 60 | Low | 59.1 | Low | 90 Ų | 90 | 105.2 Ų | 105.2 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.6 | -33 | 173.4 | -74.2 | 172.5 | 0 | 0 | 0 | 112.1 | H450 A451 S458 | H450-L454 WeakPolarHBondContact ND1-CD1 3.2Å; H450-L454 WeakPolarHBondContact O-CB 2.87Å; H450-L454 VanDerWaalsContact O-CG 3.26Å; H450-L454 WeakPolarHBondContact O-CG 3.42Å; H450-L454 PolarHBondContact O-N 2.93Å; A451-L454 PolarHBondContact O-N 3.44Å; L454-S458 VanDerWaalsContact O-CB 3.31Å; L454-S458 WeakPolarHBondContact O-CB 3.36Å; L454-S458 PolarHBondContact O-N 2.8Å; L454-S458 PolarHBondContact O-OG 3.23Å |
| 455 | A | 63.5 | Low | 58.1 | Low | 52 Ų | 52 | 106.5 Ų | 106.5 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.8 | -42.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A451 E452 K453 S458 L459 | A451-A455 VanDerWaalsContact O-CB 3.28Å; A451-A455 WeakPolarHBondContact O-CB 3.43Å; A451-A455 PolarHBondContact O-N 3.19Å; E452-A455 PolarHBondContact O-N 3.23Å; K453-A455 VanDerWaalsContact C-N 3.29Å; K453-A455 PolarHBondContact O-N 2.98Å; A455-S458 WeakPolarHBondContact CA-OG 3.47Å; A455-S458 PolarHBondContact O-N 3.38Å; A455-S458 PolarHBondContact O-OG 3.03Å; A455-S458 VanDerWaalsContact O-OG 3.11Å; A455-L459 WeakPolarHBondContact O-CB 3.42Å; A455-L459 PolarHBondContact O-N 2.95Å |
| 456 | A | 63.5 | Low | 56.7 | Low | 48 Ų | 48 | 106.9 Ų | 106.9 | 40% | 0.397 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.7 | -49.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E452 K453 S458 L459 E460 | E452-A456 WeakPolarHBondContact O-CB 3.44Å; E452-A456 PolarHBondContact O-N 3.09Å; K453-A456 PolarHBondContact O-N 3.02Å; A456-S458 VanDerWaalsContact C-N 3.29Å; A456-S458 PolarHBondContact O-N 3.09Å; A456-L459 CarbonylContact O-C 3.55Å; A456-L459 WeakPolarHBondContact O-CA 3.26Å; A456-L459 VanDerWaalsContact O-CB 3.28Å; A456-L459 WeakPolarHBondContact O-CB 3.42Å; A456-L459 PolarHBondContact O-N 2.88Å; A456-L459 VanDerWaalsContact O-N 3.08Å; A456-E460 WeakPolarHBondContact O-CG 3.49Å; A456-E460 PolarHBondContact O-N 2.76Å |
| 457 | E | 57.9 | Low | 55.2 | Low | 77 Ų | 77 | 110.3 Ų | 110.3 | 36% | 0.36 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.9 | -32.7 | 176.8 | -77 | -176.2 | -139.8 | 0 | 0 | 112.7 | K453 R461 | K453-E457 WeakPolarHBondContact O-CB 3.45Å; K453-E457 WeakPolarHBondContact O-CG 3Å; K453-E457 PolarHBondContact O-N 2.85Å; E457-R461 VanDerWaalsContact O-CB 3.28Å; E457-R461 WeakPolarHBondContact O-CB 3.19Å; E457-R461 WeakPolarHBondContact O-CD 3.41Å; E457-R461 WeakPolarHBondContact O-CG 3.36Å; E457-R461 PolarHBondContact O-N 2.86Å; E457-R461 IonicContact OE2-CZ 3.73Å; E457-R461 IonicContact OE2-NH2 2.73Å; E457-R461 PolarHBondContact OE2-NH2 2.6Å |
| 458 | S | 54.8 | Low | 53.9 | Low | 72 Ų | 72 | 107.2 Ų | 107.2 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -76.1 | -28.3 | 173.6 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | L454 A455 A456 A462 | L454-S458 VanDerWaalsContact O-CB 3.31Å; L454-S458 WeakPolarHBondContact O-CB 3.36Å; L454-S458 PolarHBondContact O-N 2.8Å; L454-S458 PolarHBondContact O-OG 3.23Å; A455-S458 WeakPolarHBondContact CA-OG 3.47Å; A455-S458 PolarHBondContact O-N 3.38Å; A455-S458 PolarHBondContact O-OG 3.03Å; A455-S458 VanDerWaalsContact O-OG 3.11Å; A456-S458 VanDerWaalsContact C-N 3.29Å; A456-S458 PolarHBondContact O-N 3.09Å; S458-A462 WeakPolarHBondContact O-CB 3.28Å; S458-A462 PolarHBondContact O-N 2.84Å; S458-A462 VanDerWaalsContact O-N 3.12Å |
| 459 | L | 52 | Low | 52.7 | Low | 132 Ų | 132 | 108.7 Ų | 108.7 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.5 | -48.1 | 166.3 | -131.9 | 73.4 | 0 | 0 | 0 | 111.3 | A455 A456 A462 T463 | A455-L459 WeakPolarHBondContact O-CB 3.42Å; A455-L459 PolarHBondContact O-N 2.95Å; A456-L459 CarbonylContact O-C 3.55Å; A456-L459 WeakPolarHBondContact O-CA 3.26Å; A456-L459 VanDerWaalsContact O-CB 3.28Å; A456-L459 WeakPolarHBondContact O-CB 3.42Å; A456-L459 PolarHBondContact O-N 2.88Å; A456-L459 VanDerWaalsContact O-N 3.08Å; L459-A462 WeakPolarHBondContact O-CB 3.37Å; L459-A462 PolarHBondContact O-N 3.28Å; L459-A462 VanDerWaalsContact O-N 3.14Å; L459-T463 PolarHBondContact O-N 2.8Å; L459-T463 PolarHBondContact O-OG1 2.62Å |
| 460 | E | 48.6 | Very low | 50.9 | Low | 124 Ų | 124 | 104 Ų | 104 | 58% | 0.579 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.7 | -41.7 | -179.9 | -72.8 | 180 | 161.3 | 0 | 0 | 111.9 | A456 A462 T463 Q464 | A456-E460 WeakPolarHBondContact O-CG 3.49Å; A456-E460 PolarHBondContact O-N 2.76Å; E460-A462 VanDerWaalsContact C-N 3.29Å; E460-A462 PolarHBondContact O-N 2.9Å; E460-T463 WeakPolarHBondContact CA-OG1 3.47Å; E460-T463 PolarHBondContact O-N 3.28Å; E460-T463 PolarHBondContact O-OG1 2.9Å; E460-Q464 PolarHBondContact O-N 2.8Å |
| 461 | R | 47.1 | Very low | 49.7 | Very low | 174 Ų | 174 | 108 Ų | 108 | 66% | 0.657 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -65 | -29.9 | 173 | -70.9 | 171 | -155.3 | -162 | 9.3 | 112.6 | E457 T463 Q464 | E457-R461 VanDerWaalsContact O-CB 3.28Å; E457-R461 WeakPolarHBondContact O-CB 3.19Å; E457-R461 WeakPolarHBondContact O-CD 3.41Å; E457-R461 WeakPolarHBondContact O-CG 3.36Å; E457-R461 PolarHBondContact O-N 2.86Å; E457-R461 IonicContact OE2-CZ 3.73Å; E457-R461 IonicContact OE2-NH2 2.73Å; E457-R461 PolarHBondContact OE2-NH2 2.6Å; R461-T463 VanDerWaalsContact C-N 3.27Å; R461-T463 PolarHBondContact O-N 2.7Å; R461-Q464 PolarHBondContact O-N 3.29Å |
| 462 | A | 48.4 | Very low | 47.9 | Very low | 80 Ų | 80 | 110 Ų | 110 | 66% | 0.661 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -69.3 | -25.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | S458 L459 E460 | S458-A462 WeakPolarHBondContact O-CB 3.28Å; S458-A462 PolarHBondContact O-N 2.84Å; S458-A462 VanDerWaalsContact O-N 3.12Å; L459-A462 WeakPolarHBondContact O-CB 3.37Å; L459-A462 PolarHBondContact O-N 3.28Å; L459-A462 VanDerWaalsContact O-N 3.14Å; E460-A462 VanDerWaalsContact C-N 3.29Å; E460-A462 PolarHBondContact O-N 2.9Å |
| 463 | T | 47.8 | Very low | 45.9 | Very low | 111 Ų | 111 | 110 Ų | 110 | 68% | 0.681 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -88.2 | -6.1 | 174.3 | 46.1 | 0 | 0 | 0 | 0 | 115.5 | L459 E460 R461 | L459-T463 PolarHBondContact O-N 2.8Å; L459-T463 PolarHBondContact O-OG1 2.62Å; E460-T463 WeakPolarHBondContact CA-OG1 3.47Å; E460-T463 PolarHBondContact O-N 3.28Å; E460-T463 PolarHBondContact O-OG1 2.9Å; R461-T463 VanDerWaalsContact C-N 3.27Å; R461-T463 PolarHBondContact O-N 2.7Å |
| 464 | Q | 41.8 | Very low | 44.1 | Very low | 162 Ų | 162 | 112.3 Ų | 112.3 | 76% | 0.757 | 69% | 0.691 | S | S | * | * | trans | -124.1 | 63.8 | -178.1 | -66.1 | -165.8 | 7.8 | 0 | 0 | 113.6 | E460 R461 G466 | E460-Q464 PolarHBondContact O-N 2.8Å; R461-Q464 PolarHBondContact O-N 3.29Å; Q464-G466 PolarHBondContact O-N 3.46Å | ||
| 465 | S | 38.5 | Very low | 42.6 | Very low | 125 Ų | 125 | 114.1 Ų | 114.1 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | trans | -77 | 76.8 | 171.3 | 44.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 466 | G | 37.2 | Very low | 41 | Very low | 70 Ų | 70 | 117 Ų | 117 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | -157.5 | 9.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 123.4 | Q464 | Q464-G466 PolarHBondContact O-N 3.46Š| ||
| 467 | S | 31.8 | Very low | 39.5 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 88% | 0.881 | 74% | 0.744 | S | S | * | * | trans | -169.8 | 163.4 | 163.1 | 45.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 468 | A | 34.3 | Very low | 38.4 | Very low | 91 Ų | 91 | 124.4 Ų | 124.4 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | -80.7 | 156.6 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 469 | P | 40.5 | Very low | 37.4 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | -79.2 | 134.6 | -176.3 | 31.5 | -35 | 0 | 0 | 0 | 113.3 | ||||
| 470 | G | 31.4 | Very low | 36.3 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | -109.6 | 154.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A472 | G470-A472 PolarHBondContact O-N 3.37Š| ||
| 471 | E | 37 | Very low | 35.5 | Very low | 202 Ų | 202 | 131.4 Ų | 131.4 | 94% | 0.944 | 80% | 0.796 | S | S | * | * | trans | -67.7 | 124.3 | -175.8 | -64.7 | 177.5 | 114 | 0 | 0 | 112.2 | ||||
| 472 | A | 30.9 | Very low | 35 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | -107.3 | 96.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G470 | G470-A472 PolarHBondContact O-N 3.37Š| ||
| 473 | T | 28.1 | Very low | 34.3 | Very low | 123 Ų | 123 | 136 Ų | 136 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -57.1 | 140.5 | 169 | -42.7 | 0 | 0 | 0 | 0 | 110.2 | T475 | T473-T475 PolarHBondContact O-N 3.1Š| ||
| 474 | M | 29.9 | Very low | 34 | Very low | 194 Ų | 194 | 139.7 Ų | 139.7 | 96% | 0.956 | 82% | 0.821 | S | S | * | * | trans | -65.2 | 94.5 | 176.7 | -66.8 | -173.1 | -173.3 | 0 | 0 | 111.9 | ||||
| 475 | T | 29.3 | Very low | 34.4 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -89 | 122.2 | 164.7 | 43.6 | 0 | 0 | 0 | 0 | 109.8 | T473 L477 | T473-T475 PolarHBondContact O-N 3.1Å; T475-L477 PolarHBondContact O-N 2.93Å |
| 476 | S | 30.6 | Very low | 35.2 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 124 | 171.6 | 51.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 477 | L | 31.3 | Very low | 36.2 | Very low | 164 Ų | 164 | 140.5 Ų | 140.5 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 127 | 169 | -75 | 163.8 | 0 | 0 | 0 | 109.4 | T475 L479 | T475-L477 PolarHBondContact O-N 2.93Å; L477-L479 PolarHBondContact O-N 3.4Å |
| 478 | P | 34.9 | Very low | 37.9 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 136.1 | 168.5 | 28.2 | -32.7 | 0 | 0 | 0 | 108.5 | K480 | P478-K480 PolarHBondContact O-N 2.72Š|
| 479 | L | 34 | Very low | 39.9 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 137.5 | 161.4 | -73.9 | 160.8 | 0 | 0 | 0 | 107.7 | L477 | L477-L479 PolarHBondContact O-N 3.4Š|
| 480 | K | 28.5 | Very low | 41.9 | Very low | 188 Ų | 188 | 132.8 Ų | 132.8 | 82% | 0.817 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 138.4 | 163.3 | -76 | -171.2 | 172 | -168.3 | 0 | 107.5 | P478 E482 | P478-K480 PolarHBondContact O-N 2.72Å; K480-E482 PolarHBondContact O-N 2.99Å |
| 481 | P | 32.2 | Very low | 44.5 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 124.8 | 156.3 | -16.7 | 30.2 | 0 | 0 | 0 | 107 | E483 | P481-E483 PolarHBondContact O-N 3.26Š|
| 482 | E | 35.6 | Very low | 47 | Very low | 170 Ų | 170 | 120 Ų | 120 | 79% | 0.794 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 129.7 | 158.9 | -66.6 | -179.5 | 156.9 | 0 | 0 | 105.6 | K480 E484 | K480-E482 PolarHBondContact O-N 2.99Å; E482-E484 PolarHBondContact O-N 2.98Å |
| 483 | E | 35.4 | Very low | 49.8 | Very low | 181 Ų | 181 | 115.4 Ų | 115.4 | 85% | 0.846 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 130.2 | 178.5 | -68 | 172.8 | -179.9 | 0 | 0 | 107.9 | P481 E485 | P481-E483 PolarHBondContact O-N 3.26Å; E483-E485 PolarHBondContact O-N 3.34Å |
| 484 | E | 40 | Very low | 52.8 | Low | 188 Ų | 188 | 109.7 Ų | 109.7 | 88% | 0.879 | 56% | 0.563 | S | S | * | * | trans | -69.5 | 83.9 | -177.8 | -68.5 | -166.3 | 163.7 | 0 | 0 | 109.9 | E482 E486 | E482-E484 PolarHBondContact O-N 2.98Å; E484-E486 PolarHBondContact O-N 2.82Å | ||
| 485 | E | 50.3 | Low | 55.8 | Low | 135 Ų | 135 | 100.5 Ų | 100.5 | 63% | 0.631 | 52% | 0.518 | S | S | * | . | trans | -50.4 | 127.6 | 172.3 | -71.4 | -170.6 | 138 | 0 | 0 | 109.3 | K429 E483 Q487 | K429-E485 IonicContact NZ-OE2 2.66Å; K429-E485 PolarHBondContact NZ-OE2 2.79Å; E483-E485 PolarHBondContact O-N 3.34Å; E485-Q487 PolarHBondContact O-N 3.17Å; E485-Q487 VanDerWaalsContact O-N 3.16Å | ||
| 486 | E | 55.5 | Low | 58.8 | Low | 144 Ų | 144 | 94.4 Ų | 94.4 | 67% | 0.673 | 48% | 0.48 | S | S | * | . | trans | -48.4 | 125.7 | -179.3 | -67.4 | -175.9 | 129.1 | 0 | 0 | 110.5 | E484 K488 | E484-E486 PolarHBondContact O-N 2.82Å; E486-K488 HydrophobicContact CB-CG 4.41Å; E486-K488 PolarHBondContact O-N 2.77Å; E486-K488 WeakPolarHBondContact OE2-CE 3.4Å; E486-K488 IonicContact OE2-NZ 3.62Å; E486-K488 PolarHBondContact OE2-NZ 3.38Å | ||
| 487 | Q | 57.7 | Low | 61.7 | Low | 96 Ų | 96 | 89 Ų | 89 | 45% | 0.449 | 44% | 0.443 | S | S | . | . | trans | -72.6 | 78.3 | -177.9 | -61.8 | 180 | 49.3 | 0 | 0 | 109.9 | E485 K665 | E485-Q487 PolarHBondContact O-N 3.17Å; E485-Q487 VanDerWaalsContact O-N 3.16Å; Q487-K665 PolarHBondContact O-NZ 3.49Å | ||
| 488 | K | 69.2 | Low | 64.5 | Low | 125 Ų | 125 | 81.3 Ų | 81.3 | 54% | 0.543 | 40% | 0.402 | S | S | . | . | trans | -79.7 | 135.8 | 172.7 | -71.2 | 170 | -178.5 | 160.8 | 0 | 108.4 | T423 E486 | T423-K488 WeakPolarHBondContact CB-O 3.46Å; T423-K488 WeakPolarHBondContact CG2-O 3.48Å; T423-K488 PolarHBondContact N-O 3.11Å; T423-K488 PolarHBondContact OG1-O 2.96Å; E486-K488 HydrophobicContact CB-CG 4.41Å; E486-K488 PolarHBondContact O-N 2.77Å; E486-K488 WeakPolarHBondContact OE2-CE 3.4Å; E486-K488 IonicContact OE2-NZ 3.62Å; E486-K488 PolarHBondContact OE2-NZ 3.38Å | ||
| 489 | E | 74.8 | Confident | 67.1 | Low | 27 Ų | 27 | 75.8 Ų | 75.8 | 13% | 0.126 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 150.1 | 166.2 | -57.9 | -171.8 | 112.8 | 0 | 0 | 108.7 | A420 V421 R662 F663 | A420-E489 HydrophobicContact CB-CB 4.24Å; V421-E489 CarbonylContact O-C 3.48Å; V421-E489 WeakPolarHBondContact O-CA 3.27Å; E489-R662 IonicContact OE1-CZ 2.82Å; E489-R662 IonicContact OE1-NE 3.73Å; E489-R662 PolarHBondContact OE1-NE 2.85Å; E489-R662 IonicContact OE1-NH2 3.28Å; E489-R662 PolarHBondContact OE1-NH2 2.93Å; E489-F663 VanDerWaalsContact OE2-CD1 3.23Å; E489-F663 WeakPolarHBondContact OE2-CD1 3.45Å; E489-F663 WeakPolarHBondContact OE2-CE1 3.41Å |
| 490 | V | 83.2 | Confident | 69.7 | Low | 39 Ų | 39 | 67.9 Ų | 67.9 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 138.5 | 168.7 | 170.9 | 0 | 0 | 0 | 0 | 107.4 | V421 T423 L426 | V421-V490 PolarHBondContact N-O 2.85Å; V421-V490 PolarHBondContact O-N 2.61Å; T423-V490 HydrophobicContact CG2-CG2 3.77Å; L426-V490 HydrophobicContact CD1-CB 4.45Å; L426-V490 HydrophobicContact CD1-CG2 4.25Å |
| 491 | F | 86.7 | Confident | 72.7 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 131.7 | 178.1 | -70.2 | -110.7 | 0 | 0 | 0 | 110.2 | M418 F419 A420 E574 L624 A628 F663 | M418-F491 HydrophobicContact CB-CD1 4.24Å; F419-F491 WeakPolarHBondContact O-CA 3.39Å; A420-F491 HydrophobicContact CB-CD1 4.26Å; A420-F491 HydrophobicContact CB-CE1 3.85Å; A420-F491 HydrophobicContact CB-CE2 4.08Å; A420-F491 HydrophobicContact CB-CZ 3.71Å; F491-E574 HydrophobicContact CB-CG 3.67Å; F491-E574 HydrophobicContact CD2-CG 4.18Å; F491-E574 HydrophobicContact CG-CG 4.18Å; F491-E574 PolarHBondContact N-OE1 2.9Å; F491-L624 HydrophobicContact CD2-CD2 4.49Å; F491-L624 HydrophobicContact CE2-CD1 4.22Å; F491-L624 HydrophobicContact CE2-CD2 3.76Å; F491-L624 HydrophobicContact CE2-CG 4.37Å; F491-L624 HydrophobicContact CZ-CB 3.82Å; F491-L624 HydrophobicContact CZ-CD1 4.28Å; F491-L624 HydrophobicContact CZ-CD2 3.8Å; F491-L624 HydrophobicContact CZ-CG 4.16Å; F491-A628 HydrophobicContact CE1-CB 4.18Å; F491-F663 HydrophobicContact CE1-CE1 4.26Å; F491-F663 HydrophobicContact CZ-CD1 4.1Å; F491-F663 AromaticContact CZ-CE1 3.72Å; F491-F663 HydrophobicContact CZ-CE1 3.72Å |
| 492 | I | 89.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.7 | 173.2 | -57 | -173.7 | 0 | 0 | 0 | 107.4 | M418 F419 V421 L426 F494 Y549 L556 I570 | M418-I492 CarbonylContact C-O 3.5Å; M418-I492 WeakPolarHBondContact CA-O 3.39Å; F419-I492 HydrophobicContact CD1-CB 4.32Å; F419-I492 WeakPolarHBondContact CD1-O 3.28Å; F419-I492 HydrophobicContact CE1-CB 3.8Å; F419-I492 HydrophobicContact CE1-CG2 3.73Å; F419-I492 WeakPolarHBondContact CE1-O 3.48Å; F419-I492 HydrophobicContact CE2-CB 4.12Å; F419-I492 HydrophobicContact CZ-CB 3.68Å; F419-I492 HydrophobicContact CZ-CD1 4.5Å; F419-I492 HydrophobicContact CZ-CG2 3.67Å; F419-I492 PolarHBondContact N-O 3.2Å; F419-I492 PolarHBondContact O-N 3.09Å; V421-I492 HydrophobicContact CB-CD1 4.26Å; V421-I492 HydrophobicContact CB-CG1 4.48Å; V421-I492 HydrophobicContact CG1-CD1 4.41Å; V421-I492 HydrophobicContact CG2-CB 4.48Å; V421-I492 HydrophobicContact CG2-CD1 3.84Å; V421-I492 HydrophobicContact CG2-CG1 4.04Å; L426-I492 HydrophobicContact CD2-CD1 4.27Å; I492-F494 PolarHBondContact O-N 3.24Å; I492-Y549 HydrophobicContact CD1-CD2 3.73Å; I492-Y549 HydrophobicContact CD1-CE2 3.77Å; I492-Y549 HydrophobicContact CD1-CG 4.39Å; I492-Y549 HydrophobicContact CG1-CD2 4.28Å; I492-Y549 HydrophobicContact CG1-CE2 4.15Å; I492-Y549 HydrophobicContact CG2-CD2 4.02Å; I492-L556 HydrophobicContact CD1-CD1 3.49Å; I492-L556 VanDerWaalsContact CD1-CD1 3.49Å; I492-L556 HydrophobicContact CD1-CD2 4.3Å; I492-I570 WeakPolarHBondContact CA-O 3.48Å |
| 493 | A | 90.3 | Very high | 78 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 119.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V415 M418 G569 I570 L573 | V415-A493 HydrophobicContact CG1-CB 3.8Å; V415-A493 HydrophobicContact CG2-CB 4.13Å; M418-A493 HydrophobicContact CG-CB 4.13Å; M418-A493 HydrophobicContact SD-CB 4.37Å; A493-G569 CarbonylContact O-C 3.58Å; A493-G569 WeakPolarHBondContact O-CA 3.33Å; A493-I570 HydrophobicContact CB-CB 4.17Å; A493-I570 HydrophobicContact CB-CG1 4.46Å; A493-I570 PolarHBondContact N-O 3.21Å; A493-I570 PolarHBondContact O-N 3.02Å; A493-L573 HydrophobicContact CB-CD1 3.94Å |
| 494 | F | 90.8 | Very high | 80.6 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 114 | 176.1 | -175 | -135.6 | 0 | 0 | 0 | 109.6 | A74 I91 L109 S416 K417 F419 I492 L551 V567 | A74-F494 HydrophobicContact CB-CE2 3.7Å; A74-F494 HydrophobicContact CB-CZ 3.9Å; I91-F494 HydrophobicContact CD1-CE1 4.23Å; I91-F494 HydrophobicContact CD1-CZ 3.63Å; I91-F494 HydrophobicContact CG1-CZ 4.03Å; I91-F494 HydrophobicContact CG2-CE1 4.45Å; I91-F494 HydrophobicContact CG2-CZ 4.2Å; L109-F494 HydrophobicContact CD1-CD1 3.59Å; L109-F494 HydrophobicContact CD1-CE1 3.39Å; L109-F494 HydrophobicContact CD1-CG 4.29Å; L109-F494 HydrophobicContact CD1-CZ 3.92Å; S416-F494 PolarHBondContact N-O 3.18Å; K417-F494 HydrophobicContact CG-CB 3.98Å; K417-F494 HydrophobicContact CG-CD1 4.06Å; K417-F494 WeakPolarHBondContact O-CB 3.49Å; K417-F494 PolarHBondContact O-N 2.91Å; F419-F494 HydrophobicContact CD1-CB 3.97Å; F419-F494 HydrophobicContact CE1-CB 3.96Å; I492-F494 PolarHBondContact O-N 3.24Å; F494-L551 HydrophobicContact CD2-CD1 3.52Å; F494-L551 HydrophobicContact CE2-CD1 3.61Å; F494-V567 HydrophobicContact CD2-CG1 4.08Å; F494-V567 HydrophobicContact CE2-CG1 3.36Å; F494-V567 HydrophobicContact CZ-CG1 3.94Å |
| 495 | A | 92.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 160 | -163.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | I413 F414 V415 V567 M568 I570 | I413-A495 HydrophobicContact CG2-CB 3.96Å; F414-A495 CarbonylContact O-C 3.52Å; F414-A495 WeakPolarHBondContact O-CA 3.33Å; F414-A495 WeakPolarHBondContact O-CB 3.39Å; V415-A495 HydrophobicContact CG2-CB 4.12Å; A495-V567 CarbonylContact O-C 3.53Å; A495-V567 WeakPolarHBondContact O-CA 3.32Å; A495-M568 PolarHBondContact N-O 2.93Å; A495-M568 PolarHBondContact O-N 3.07Å; A495-I570 HydrophobicContact CB-CD1 3.76Å; A495-I570 HydrophobicContact CB-CG1 4.07Å |
| 496 | R | 92.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135.5 | 169 | 172.2 | 170.5 | 175.9 | 179.7 | -0 | 110.6 | L109 D111 I413 F414 Y498 N566 V567 | L109-R496 HydrophobicContact CD2-CB 3.56Å; L109-R496 VanDerWaalsContact O-CD 3.23Å; L109-R496 WeakPolarHBondContact O-CD 3.18Å; L109-R496 PolarHBondContact O-NH1 3.35Å; D111-R496 VanDerWaalsContact CG-NH1 3.26Å; D111-R496 VanDerWaalsContact CG-NH2 3.34Å; D111-R496 IonicContact OD1-CZ 3.04Å; D111-R496 IonicContact OD1-NH1 2.68Å; D111-R496 PolarHBondContact OD1-NH1 2.98Å; D111-R496 IonicContact OD1-NH2 2.7Å; D111-R496 PolarHBondContact OD1-NH2 3.33Å; D111-R496 IonicContact OD2-CZ 2.68Å; D111-R496 IonicContact OD2-NH1 3.31Å; D111-R496 PolarHBondContact OD2-NH1 3.48Å; D111-R496 IonicContact OD2-NH2 3.79Å; D111-R496 PolarHBondContact OD2-NH2 3.05Å; D111-R496 VanDerWaalsContact OD2-NH2 3.11Å; I413-R496 WeakPolarHBondContact CA-O 3.47Å; I413-R496 VanDerWaalsContact CG2-O 3.23Å; I413-R496 WeakPolarHBondContact CG2-O 3.39Å; F414-R496 PolarHBondContact N-O 2.96Å; F414-R496 PolarHBondContact O-N 3.34Å; R496-Y498 HydrophobicContact CB-CE2 4.22Å; R496-Y498 HydrophobicContact CG-CD2 4.32Å; R496-Y498 HydrophobicContact CG-CE1 4.47Å; R496-Y498 HydrophobicContact CG-CE2 4.04Å; R496-N566 WeakPolarHBondContact CA-O 3.47Å; R496-V567 HydrophobicContact CB-CG2 4.39Å |
| 497 | I | 91.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 130 | 169.1 | -51.9 | 168 | 0 | 0 | 0 | 108.4 | I413 S499 V502 I562 A564 G565 N566 M568 | I413-I497 HydrophobicContact CG2-CG1 4.2Å; I497-S499 WeakPolarHBondContact CG2-O 3.37Å; I497-V502 HydrophobicContact CD1-CB 3.98Å; I497-V502 HydrophobicContact CD1-CG2 3.56Å; I497-V502 HydrophobicContact CG1-CG2 3.87Å; I497-V502 HydrophobicContact CG2-CG2 4.37Å; I497-I562 HydrophobicContact CD1-CB 4.01Å; I497-I562 HydrophobicContact CD1-CG2 3.82Å; I497-I562 WeakPolarHBondContact CD1-O 3.48Å; I497-A564 HydrophobicContact CG2-CB 4.2Å; I497-G565 PolarHBondContact O-N 3.41Å; I497-N566 PolarHBondContact N-O 2.86Å; I497-N566 VanDerWaalsContact N-O 3.11Å; I497-M568 HydrophobicContact CD1-CE 3.79Å; I497-M568 HydrophobicContact CD1-SD 3.61Å; I497-M568 HydrophobicContact CG1-CE 3.6Å; I497-M568 HydrophobicContact CG1-SD 3.86Å |
| 498 | Y | 89.8 | Confident | 87.6 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -28.7 | 174.9 | -69.7 | -88.7 | 0 | 0 | 0 | 113 | R108 M370 L378 F400 C403 I412 F414 R496 F592 | R108-Y498 PolarHBondContact O-OH 3.36Å; M370-Y498 HydrophobicContact CE-CD1 3.91Å; M370-Y498 HydrophobicContact CE-CE1 3.86Å; M370-Y498 HydrophobicContact SD-CD1 4.42Å; M370-Y498 HydrophobicContact SD-CE1 4.21Å; L378-Y498 HydrophobicContact CD1-CE1 4.44Å; F400-Y498 HydrophobicContact CD1-CD1 4.37Å; F400-Y498 HydrophobicContact CD2-CG 4.31Å; F400-Y498 AromaticContact CE1-CD1 3.46Å; F400-Y498 HydrophobicContact CE1-CD1 3.46Å; F400-Y498 VanDerWaalsContact CE1-CD1 3.46Å; F400-Y498 HydrophobicContact CE1-CE1 4.04Å; F400-Y498 HydrophobicContact CE1-CG 4.01Å; F400-Y498 VanDerWaalsContact CE2-CB 3.43Å; F400-Y498 AromaticContact CE2-CD1 3.82Å; F400-Y498 HydrophobicContact CE2-CD1 3.82Å; F400-Y498 HydrophobicContact CE2-CD2 4.02Å; F400-Y498 AromaticContact CE2-CG 3.5Å; F400-Y498 HydrophobicContact CE2-CG 3.5Å; F400-Y498 VanDerWaalsContact CE2-CG 3.5Å; F400-Y498 AromaticContact CZ-CD1 3.13Å; F400-Y498 HydrophobicContact CZ-CD1 3.13Å; F400-Y498 HydrophobicContact CZ-CD2 4.01Å; F400-Y498 AromaticContact CZ-CE1 3.63Å; F400-Y498 HydrophobicContact CZ-CE1 3.63Å; F400-Y498 HydrophobicContact CZ-CE2 4.41Å; F400-Y498 AromaticContact CZ-CG 3.34Å; F400-Y498 HydrophobicContact CZ-CG 3.34Å; C403-Y498 WeakPolarHBondContact CA-O 3.42Å; C403-Y498 PolarHBondContact SG-O 3.43Å; I412-Y498 PolarHBondContact O-N 3.43Å; F414-Y498 HydrophobicContact CB-CD2 4.41Å; F414-Y498 HydrophobicContact CB-CE2 3.75Å; R496-Y498 HydrophobicContact CB-CE2 4.22Å; R496-Y498 HydrophobicContact CG-CD2 4.32Å; R496-Y498 HydrophobicContact CG-CE1 4.47Å; R496-Y498 HydrophobicContact CG-CE2 4.04Å; Y498-F592 HydrophobicContact CD2-CE2 4.27Å; Y498-F592 HydrophobicContact CE2-CE2 4.2Å |
| 499 | S | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 153.9 | 175.3 | -160.3 | 0 | 0 | 0 | 0 | 111 | A399 V411 I412 I497 | A399-S499 WeakPolarHBondContact O-CB 3.35Å; A399-S499 PolarHBondContact O-OG 2.81Å; V411-S499 WeakPolarHBondContact CA-O 3.24Å; I412-S499 PolarHBondContact N-O 2.84Å; I412-S499 PolarHBondContact O-N 2.97Å; I497-S499 WeakPolarHBondContact CG2-O 3.37Å |
| 500 | G | 88.8 | Confident | 89.2 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 77.5 | 177.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | S404 A564 | S404-G500 WeakPolarHBondContact O-CA 3.25Å; S404-G500 PolarHBondContact O-N 2.87Å; G500-A564 WeakPolarHBondContact O-CB 3.23Å; G500-A564 PolarHBondContact O-N 3.04Å; G500-A564 VanDerWaalsContact O-N 3.12Å |
| 501 | T | 89.9 | Confident | 89.4 | Confident | 25 Ų | 25 | 19.9 Ų | 19.9 | 15% | 0.153 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.7 | 171.4 | -67.4 | 0 | 0 | 0 | 0 | 109.2 | S405 E561 | S405-T501 PolarHBondContact O-OG1 2.87Å; T501-E561 HydrophobicContact CG2-CB 4.11Å |
| 502 | V | 90.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 136 | -178.3 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | V411 I413 I497 V545 L548 E561 I562 M568 | V411-V502 HydrophobicContact CG1-CG2 3.74Å; I413-V502 HydrophobicContact CD1-CG1 4.26Å; I413-V502 HydrophobicContact CD1-CG2 3.56Å; I413-V502 HydrophobicContact CG1-CG2 4.05Å; I497-V502 HydrophobicContact CD1-CB 3.98Å; I497-V502 HydrophobicContact CD1-CG2 3.56Å; I497-V502 HydrophobicContact CG1-CG2 3.87Å; I497-V502 HydrophobicContact CG2-CG2 4.37Å; V502-V545 HydrophobicContact CG1-CG1 4.31Å; V502-V545 HydrophobicContact CG1-CG2 4.35Å; V502-L548 HydrophobicContact CG1-CD1 4.2Å; V502-L548 HydrophobicContact CG1-CD2 4.11Å; V502-E561 CarbonylContact O-C 3.57Å; V502-E561 VanDerWaalsContact O-CA 3.25Å; V502-E561 WeakPolarHBondContact O-CA 3.37Å; V502-I562 PolarHBondContact N-O 2.86Å; V502-I562 PolarHBondContact O-N 3.28Å; V502-M568 HydrophobicContact CB-CE 4.29Å; V502-M568 HydrophobicContact CG1-CE 4.24Å; V502-M568 HydrophobicContact CG2-CE 4.2Å |
| 503 | K | 90.3 | Very high | 88.5 | Confident | 88 Ų | 88 | 24 Ų | 24 | 38% | 0.383 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 151.9 | -178.3 | -57.5 | -160.3 | -179.5 | -146.4 | 0 | 113 | G505 Q506 E560 E561 | K503-G505 PolarHBondContact O-N 3.3Å; K503-Q506 WeakPolarHBondContact O-CB 3.41Å; K503-Q506 PolarHBondContact O-N 3.25Å; K503-Q506 VanDerWaalsContact O-N 3.16Å; K503-E560 WeakPolarHBondContact CA-O 3.29Å; K503-E561 HydrophobicContact CD-CB 4.42Å; K503-E561 VanDerWaalsContact CE-OE2 3.31Å; K503-E561 WeakPolarHBondContact CE-OE2 3.41Å; K503-E561 HydrophobicContact CG-CB 4Å; K503-E561 IonicContact NZ-OE2 2.68Å; K503-E561 PolarHBondContact NZ-OE2 3.17Å |
| 504 | K | 90.1 | Very high | 87.9 | Confident | 92 Ų | 92 | 30.6 Ų | 30.6 | 40% | 0.4 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 131.4 | 173.2 | -160.3 | 178.3 | -178.6 | 170.6 | 0 | 110.7 | Q506 E546 N547 E558 E560 | K504-Q506 VanDerWaalsContact C-N 3.35Å; K504-E546 WeakPolarHBondContact CE-O 3.32Å; K504-E546 WeakPolarHBondContact CG-O 3.32Å; K504-N547 WeakPolarHBondContact CE-OD1 3.48Å; K504-N547 PolarHBondContact NZ-OD1 3.44Å; K504-E558 IonicContact NZ-OE1 3.51Å; K504-E558 PolarHBondContact NZ-OE1 3.05Å; K504-E560 PolarHBondContact N-O 2.91Å |
| 505 | G | 86.8 | Confident | 87.5 | Confident | 53 Ų | 53 | 30.7 Ų | 30.7 | 55% | 0.546 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 | K503 V545 | K503-G505 PolarHBondContact O-N 3.3Å; G505-V545 VanDerWaalsContact CA-O 3.31Å; G505-V545 WeakPolarHBondContact CA-O 3.45Å; G505-V545 PolarHBondContact N-O 2.91Å |
| 506 | Q | 87.1 | Confident | 86.8 | Confident | 51 Ų | 51 | 31.7 Ų | 31.7 | 24% | 0.238 | 17% | 0.167 | C | C | . | . | trans | -71.9 | 135.3 | -179 | -173.4 | 171.1 | 5.4 | 0 | 0 | 112 | K503 K504 V545 | K503-Q506 WeakPolarHBondContact O-CB 3.41Å; K503-Q506 PolarHBondContact O-N 3.25Å; K503-Q506 VanDerWaalsContact O-N 3.16Å; K504-Q506 VanDerWaalsContact C-N 3.35Å; Q506-V545 PolarHBondContact O-N 3.48Å | ||
| 507 | R | 87.3 | Confident | 86 | Confident | 90 Ų | 90 | 31.7 Ų | 31.7 | 34% | 0.34 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 135.1 | 169.6 | -74.9 | 178.5 | 62.6 | -169.4 | -11.2 | 110.5 | A530 S531 D532 C542 T544 | R507-A530 HydrophobicContact CB-CB 4.39Å; R507-A530 PolarHBondContact NE-O 2.95Å; R507-A530 PolarHBondContact NH2-O 3.18Å; R507-A530 WeakPolarHBondContact O-CB 3.4Å; R507-S531 VanDerWaalsContact CZ-O 3.26Å; R507-S531 PolarHBondContact NH1-O 3Å; R507-S531 PolarHBondContact NH2-O 3.32Å; R507-D532 PolarHBondContact NH2-O 3.43Å; R507-D532 VanDerWaalsContact NH2-O 3.14Å; R507-C542 PolarHBondContact NE-SG 2.85Å; R507-C542 VanDerWaalsContact NE-SG 3.39Å; R507-C542 PolarHBondContact NH2-SG 2.86Å; R507-C542 VanDerWaalsContact NH2-SG 3.39Å; R507-T544 HydrophobicContact CG-CG2 3.65Å |
| 508 | V | 88.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 156.2 | 176.4 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | C542 C543 V545 L583 | V508-C542 WeakPolarHBondContact O-CA 3.41Å; V508-C543 PolarHBondContact N-O 2.95Å; V508-C543 PolarHBondContact O-N 3.43Å; V508-V545 HydrophobicContact CG1-CG2 4.25Å; V508-V545 HydrophobicContact CG2-CG2 4.09Å; V508-L583 HydrophobicContact CG2-CB 4.44Å |
| 509 | L | 88.6 | Confident | 84.4 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 127 | 171.9 | -60.5 | 175.5 | 0 | 0 | 0 | 109.5 | L511 A530 I534 L540 S541 C542 L583 S584 P587 | L509-L511 HydrophobicContact CB-CD2 4.46Å; L509-A530 HydrophobicContact CD2-CB 4.31Å; L509-A530 HydrophobicContact CG-CB 4Å; L509-I534 HydrophobicContact CD1-CD1 4.44Å; L509-I534 HydrophobicContact CD2-CD1 4.07Å; L509-L540 HydrophobicContact CB-CD1 3.99Å; L509-S541 CarbonylContact C-O 3.56Å; L509-S541 WeakPolarHBondContact CA-O 3.3Å; L509-C542 HydrophobicContact CD2-CB 4.1Å; L509-L583 CarbonylContact O-C 3.58Å; L509-L583 VanDerWaalsContact O-CA 3.27Å; L509-L583 WeakPolarHBondContact O-CA 3.43Å; L509-S584 WeakPolarHBondContact CB-O 3.32Å; L509-S584 PolarHBondContact N-O 2.91Å; L509-S584 PolarHBondContact O-N 3.02Å; L509-P587 HydrophobicContact CD1-CB 4.12Å |
| 510 | V | 88.4 | Confident | 83.5 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.4 | 174.6 | -169.5 | 0 | 0 | 0 | 0 | 108.3 | S541 C543 C576 V577 A581 L583 | V510-S541 PolarHBondContact N-O 3.41Å; V510-S541 PolarHBondContact O-N 2.99Å; V510-S541 VanDerWaalsContact O-N 3.15Å; V510-C543 HydrophobicContact CG2-CB 3.94Å; V510-C543 VanDerWaalsContact CG2-SG 3.59Å; V510-C576 HydrophobicContact CG1-CB 4.4Å; V510-C576 HydrophobicContact CG2-CB 3.96Å; V510-V577 HydrophobicContact CG1-CG2 4.22Å; V510-A581 HydrophobicContact CG1-CB 3.89Å; V510-L583 HydrophobicContact CB-CD2 4.13Å; V510-L583 HydrophobicContact CG1-CD2 3.93Å; V510-L583 HydrophobicContact CG2-CD2 3.83Å |
| 511 | L | 87.2 | Confident | 82.8 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 113.5 | -179 | -47.8 | -179 | 0 | 0 | 0 | 109.5 | L509 Y515 L540 T582 C589 P591 | L509-L511 HydrophobicContact CB-CD2 4.46Å; L511-Y515 HydrophobicContact CB-CD1 4.34Å; L511-Y515 HydrophobicContact CD2-CD1 3.99Å; L511-Y515 HydrophobicContact CD2-CE1 3.91Å; L511-L540 HydrophobicContact CD2-CD1 3.46Å; L511-L540 VanDerWaalsContact CD2-CD1 3.46Å; L511-T582 WeakPolarHBondContact CB-O 3.39Å; L511-T582 HydrophobicContact CD1-CG2 4.05Å; L511-T582 WeakPolarHBondContact CG-O 3.46Å; L511-T582 PolarHBondContact N-O 3.23Å; L511-C589 HydrophobicContact CD1-CB 3.9Å; L511-C589 VanDerWaalsContact CD1-O 3.31Å; L511-C589 WeakPolarHBondContact CD1-O 3.34Å; L511-P591 HydrophobicContact CB-CB 4.13Å |
| 512 | G | 81 | Confident | 81.9 | Confident | 18 Ų | 18 | 44 Ų | 44 | 19% | 0.186 | 24% | 0.242 | C | C | . | . | trans | -72.4 | 153.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K514 Y515 H539 P591 | G512-K514 PolarHBondContact O-N 2.79Å; G512-Y515 VanDerWaalsContact O-CB 3.28Å; G512-Y515 WeakPolarHBondContact O-CB 3.32Å; G512-Y515 PolarHBondContact O-N 2.69Å; G512-H539 PolarHBondContact N-O 3.5Å; G512-P591 WeakPolarHBondContact O-CB 3.17Å | ||
| 513 | P | 77.3 | Confident | 80.9 | Confident | 74 Ų | 74 | 48.9 Ų | 48.9 | 48% | 0.481 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 9.4 | -177.3 | 29.9 | -37.6 | 0 | 0 | 0 | 115.1 | ||
| 514 | K | 77.1 | Confident | 79.8 | Confident | 139 Ų | 139 | 46.1 Ų | 46.1 | 60% | 0.604 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | -2.5 | 173.8 | -68.1 | -178.5 | -178.3 | 177 | 0 | 113.1 | G512 H539 | G512-K514 PolarHBondContact O-N 2.79Å; K514-H539 HydrophobicContact CB-CB 4.48Å; K514-H539 WeakPolarHBondContact CB-CD2 3.23Å |
| 515 | Y | 81.5 | Confident | 78.4 | Confident | 6 Ų | 6 | 46 Ų | 46 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | trans | -64.5 | 140.3 | 176.4 | 179 | -113.8 | 0 | 0 | 0 | 110.7 | L511 G512 P517 V537 L540 P587 P591 | L511-Y515 HydrophobicContact CB-CD1 4.34Å; L511-Y515 HydrophobicContact CD2-CD1 3.99Å; L511-Y515 HydrophobicContact CD2-CE1 3.91Å; G512-Y515 VanDerWaalsContact O-CB 3.28Å; G512-Y515 WeakPolarHBondContact O-CB 3.32Å; G512-Y515 PolarHBondContact O-N 2.69Å; Y515-P517 HydrophobicContact CE1-CB 4.27Å; Y515-V537 HydrophobicContact CD2-CG1 4.4Å; Y515-V537 HydrophobicContact CE2-CG1 3.8Å; Y515-L540 HydrophobicContact CD2-CB 4.33Å; Y515-L540 HydrophobicContact CE2-CB 4.26Å; Y515-L540 HydrophobicContact CE2-CD1 4.49Å; Y515-L540 HydrophobicContact CE2-CD2 4.33Å; Y515-P587 WeakPolarHBondContact CE1-O 3.37Å; Y515-P587 PolarHBondContact OH-O 3.02Å; Y515-P591 WeakPolarHBondContact O-CG 3.48Å | ||
| 516 | D | 77.4 | Confident | 76.7 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | trans | -120.1 | 113.4 | 174.9 | -173.3 | -13.7 | 0 | 0 | 0 | 107.5 | R384 A518 Q519 G520 | R384-D516 IonicContact CZ-OD2 3.89Å; R384-D516 IonicContact NH1-OD1 3.77Å; R384-D516 PolarHBondContact NH1-OD1 2.85Å; R384-D516 IonicContact NH1-OD2 3.05Å; R384-D516 PolarHBondContact NH1-OD2 3.41Å; R384-D516 IonicContact NH2-OD2 3.63Å; D516-A518 PolarHBondContact O-N 2.88Å; D516-A518 VanDerWaalsContact O-N 3.16Å; D516-A518 PolarHBondContact OD1-N 3.45Å; D516-Q519 HydrophobicContact CB-CB 4.34Å; D516-Q519 HydrophobicContact CB-CG 3.99Å; D516-Q519 PolarHBondContact O-N 3.4Å; D516-Q519 PolarHBondContact OD2-NE2 3.01Å; D516-G520 PolarHBondContact O-N 2.98Å; D516-G520 VanDerWaalsContact O-N 3.16Å | ||
| 517 | P | 76.8 | Confident | 75.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -25 | -175 | 25.5 | -34.5 | 0 | 0 | 0 | 112.5 | Y515 Q519 L521 | Y515-P517 HydrophobicContact CE1-CB 4.27Å; P517-Q519 VanDerWaalsContact C-N 3.34Å; P517-L521 VanDerWaalsContact O-CB 3.29Å; P517-L521 WeakPolarHBondContact O-CB 3.48Å; P517-L521 VanDerWaalsContact O-CG 3.25Å; P517-L521 WeakPolarHBondContact O-CG 3.42Å; P517-L521 PolarHBondContact O-N 3.05Å |
| 518 | A | 73.9 | Confident | 73.6 | Confident | 45 Ų | 45 | 49 Ų | 49 | 37% | 0.372 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P390 D516 S522 | P390-A518 HydrophobicContact CG-CB 4.36Å; D516-A518 PolarHBondContact O-N 2.88Å; D516-A518 VanDerWaalsContact O-N 3.16Å; D516-A518 PolarHBondContact OD1-N 3.45Å; A518-S522 PolarHBondContact O-N 3.26Å; A518-S522 VanDerWaalsContact O-N 3.14Å; A518-S522 PolarHBondContact O-OG 3.29Å |
| 519 | Q | 73.4 | Confident | 72 | Confident | 100 Ų | 100 | 51.3 Ų | 51.3 | 47% | 0.467 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.1 | -44.9 | 177.7 | -62.5 | 176.7 | 31.6 | 0 | 0 | 110.7 | D516 P517 L521 S522 L523 | D516-Q519 HydrophobicContact CB-CB 4.34Å; D516-Q519 HydrophobicContact CB-CG 3.99Å; D516-Q519 PolarHBondContact O-N 3.4Å; D516-Q519 PolarHBondContact OD2-NE2 3.01Å; P517-Q519 VanDerWaalsContact C-N 3.34Å; Q519-L521 PolarHBondContact O-N 2.88Å; Q519-S522 PolarHBondContact O-N 2.62Å; Q519-S522 VanDerWaalsContact O-N 3.16Å; Q519-S522 PolarHBondContact O-OG 3.2Å; Q519-L523 WeakPolarHBondContact O-CG 3.49Å; Q519-L523 PolarHBondContact O-N 2.76Å; Q519-L523 VanDerWaalsContact O-N 3.14Å |
| 520 | G | 71.6 | Confident | 70.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | D516 S522 L523 L524 | D516-G520 PolarHBondContact O-N 2.98Å; D516-G520 VanDerWaalsContact O-N 3.16Å; G520-S522 VanDerWaalsContact C-N 3.33Å; G520-S522 PolarHBondContact O-N 3.13Å; G520-L523 PolarHBondContact O-N 2.94Å; G520-L524 WeakPolarHBondContact O-CB 3.22Å; G520-L524 WeakPolarHBondContact O-CG 3.38Å; G520-L524 PolarHBondContact O-N 3.38Å |
| 521 | L | 74.6 | Confident | 68.7 | Low | 47 Ų | 47 | 55.2 Ų | 55.2 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.6 | -24.9 | 175.9 | -72.5 | 170.9 | 0 | 0 | 0 | 113.7 | P390 P517 Q519 A588 | P390-L521 HydrophobicContact CB-CD1 3.98Å; P390-L521 HydrophobicContact CG-CD1 4.1Å; P517-L521 VanDerWaalsContact O-CB 3.29Å; P517-L521 WeakPolarHBondContact O-CB 3.48Å; P517-L521 VanDerWaalsContact O-CG 3.25Å; P517-L521 WeakPolarHBondContact O-CG 3.42Å; P517-L521 PolarHBondContact O-N 3.05Å; Q519-L521 PolarHBondContact O-N 2.88Å; L521-A588 HydrophobicContact CD1-CB 4.21Å; L521-A588 HydrophobicContact CD2-CB 4.12Å |
| 522 | S | 71.6 | Confident | 67.2 | Low | 92 Ų | 92 | 58.4 Ų | 58.4 | 64% | 0.643 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -80.6 | -21.6 | 174.2 | 68.5 | 0 | 0 | 0 | 0 | 114.4 | A518 Q519 G520 | A518-S522 PolarHBondContact O-N 3.26Å; A518-S522 VanDerWaalsContact O-N 3.14Å; A518-S522 PolarHBondContact O-OG 3.29Å; Q519-S522 PolarHBondContact O-N 2.62Å; Q519-S522 VanDerWaalsContact O-N 3.16Å; Q519-S522 PolarHBondContact O-OG 3.2Å; G520-S522 VanDerWaalsContact C-N 3.33Å; G520-S522 PolarHBondContact O-N 3.13Å |
| 523 | L | 69.3 | Low | 65.7 | Low | 103 Ų | 103 | 63.1 Ų | 63.1 | 54% | 0.539 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -98 | -16.8 | -176.8 | -69.4 | 171 | 0 | 0 | 0 | 113.2 | Q519 G520 V537 | Q519-L523 WeakPolarHBondContact O-CG 3.49Å; Q519-L523 PolarHBondContact O-N 2.76Å; Q519-L523 VanDerWaalsContact O-N 3.14Å; G520-L523 PolarHBondContact O-N 2.94Å; L523-V537 HydrophobicContact CB-CG2 4.13Å; L523-V537 HydrophobicContact CD1-CG2 4.35Å |
| 524 | L | 66.1 | Low | 64.7 | Low | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -106.4 | 142 | -176 | -67.4 | 172.4 | 0 | 0 | 0 | 112 | G520 C528 I534 V537 L540 P587 | G520-L524 WeakPolarHBondContact O-CB 3.22Å; G520-L524 WeakPolarHBondContact O-CG 3.38Å; G520-L524 PolarHBondContact O-N 3.38Å; L524-C528 HydrophobicContact CB-CB 4.48Å; L524-I534 HydrophobicContact CD1-CD1 3.91Å; L524-I534 HydrophobicContact CD2-CB 4.45Å; L524-I534 HydrophobicContact CD2-CD1 3.95Å; L524-I534 HydrophobicContact CD2-CG1 3.82Å; L524-I534 HydrophobicContact CD2-CG2 3.87Å; L524-V537 HydrophobicContact CD1-CG2 4.43Å; L524-V537 HydrophobicContact CD2-CG2 4.07Å; L524-V537 HydrophobicContact CG-CG2 4.09Å; L524-L540 HydrophobicContact CD1-CD2 4.43Å; L524-P587 HydrophobicContact CD1-CB 3.61Å; L524-P587 HydrophobicContact CD1-CG 3.75Å |
| 525 | P | 60.2 | Low | 63.6 | Low | 90 Ų | 90 | 63.2 Ų | 63.2 | 58% | 0.584 | 38% | 0.379 | S | S | * | . | trans | -56.9 | 152.7 | 168.8 | -21.8 | 31.3 | 0 | 0 | 0 | 112.7 | G527 C528 | P525-G527 PolarHBondContact O-N 3.44Å; P525-C528 PolarHBondContact O-N 3.42Å | ||
| 526 | E | 52.7 | Low | 62.4 | Low | 154 Ų | 154 | 71.5 Ų | 71.5 | 72% | 0.72 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 123.5 | 178.3 | -59.2 | -145.3 | 97.3 | 0 | 0 | 111.9 | R392 | R392-E526 IonicContact CZ-OE1 3.37Å; R392-E526 VanDerWaalsContact CZ-OE1 3.31Å; R392-E526 IonicContact NH1-OE1 3.58Å; R392-E526 PolarHBondContact NH1-OE1 3.03Å; R392-E526 IonicContact NH2-OE1 3.29Å; R392-E526 PolarHBondContact NH2-OE1 3.32Å |
| 527 | G | 55.8 | Low | 62 | Low | 74 Ų | 74 | 71.1 Ų | 71.1 | 76% | 0.763 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | 4.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | P525 S529 | P525-G527 PolarHBondContact O-N 3.44Å; G527-S529 PolarHBondContact O-N 2.97Å |
| 528 | C | 52.7 | Low | 61.8 | Low | 28 Ų | 28 | 74.5 Ų | 74.5 | 19% | 0.189 | 44% | 0.438 | C | S | . | . | trans | -54 | 134 | 175.6 | -95.4 | 0 | 0 | 0 | 0 | 112.8 | L524 P525 D532 | L524-C528 HydrophobicContact CB-CB 4.48Å; P525-C528 PolarHBondContact O-N 3.42Å; C528-D532 WeakPolarHBondContact CA-OD2 3.43Å | ||
| 529 | S | 55 | Low | 62 | Low | 48 Ų | 48 | 77.2 Ų | 77.2 | 34% | 0.336 | 44% | 0.443 | S | S | . | . | trans | -115 | 169.6 | -175.2 | 71.9 | 0 | 0 | 0 | 0 | 111.2 | G527 S531 D532 | G527-S529 PolarHBondContact O-N 2.97Å; S529-S531 PolarHBondContact O-N 3.44Å; S529-S531 PolarHBondContact OG-N 3.47Å; S529-D532 PolarHBondContact N-OD2 3.1Å; S529-D532 PolarHBondContact O-N 3.43Å | ||
| 530 | A | 56.3 | Low | 62.4 | Low | 7 Ų | 7 | 73.1 Ų | 73.1 | 6% | 0.058 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -6.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R507 L509 C542 | R507-A530 HydrophobicContact CB-CB 4.39Å; R507-A530 PolarHBondContact NE-O 2.95Å; R507-A530 PolarHBondContact NH2-O 3.18Å; R507-A530 WeakPolarHBondContact O-CB 3.4Å; L509-A530 HydrophobicContact CD2-CB 4.31Å; L509-A530 HydrophobicContact CG-CB 4Å; A530-C542 PolarHBondContact O-SG 3.26Å |
| 531 | S | 52.1 | Low | 63 | Low | 81 Ų | 81 | 75.9 Ų | 75.9 | 57% | 0.566 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -25.5 | 172.9 | -65.7 | 0 | 0 | 0 | 0 | 113.6 | R507 S529 | R507-S531 VanDerWaalsContact CZ-O 3.26Å; R507-S531 PolarHBondContact NH1-O 3Å; R507-S531 PolarHBondContact NH2-O 3.32Å; S529-S531 PolarHBondContact O-N 3.44Å; S529-S531 PolarHBondContact OG-N 3.47Å |
| 532 | D | 56 | Low | 63.5 | Low | 69 Ų | 69 | 75.8 Ų | 75.8 | 37% | 0.369 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -80.2 | 152.3 | -175 | -54.5 | -51.5 | 0 | 0 | 0 | 111.1 | R507 C528 S529 I534 | R507-D532 PolarHBondContact NH2-O 3.43Å; R507-D532 VanDerWaalsContact NH2-O 3.14Å; C528-D532 WeakPolarHBondContact CA-OD2 3.43Å; S529-D532 PolarHBondContact N-OD2 3.1Å; S529-D532 PolarHBondContact O-N 3.43Å; D532-I534 PolarHBondContact O-N 3.47Å; D532-I534 VanDerWaalsContact O-N 3.1Å |
| 533 | C | 48.6 | Very low | 64.2 | Low | 117 Ų | 117 | 72 Ų | 72 | 79% | 0.791 | 42% | 0.42 | S | S | * | . | trans | -85.8 | 77.2 | -176.7 | -73.9 | 0 | 0 | 0 | 0 | 111.7 | Q535 | C533-Q535 PolarHBondContact O-N 3.18Š| ||
| 534 | I | 56.8 | Low | 65.1 | Low | 30 Ų | 30 | 70.5 Ų | 70.5 | 15% | 0.154 | 42% | 0.415 | C | S | . | . | trans | -74.8 | 107.7 | 176.2 | -53 | 171.2 | 0 | 0 | 0 | 109.8 | L509 L524 D532 V537 L540 | L509-I534 HydrophobicContact CD1-CD1 4.44Å; L509-I534 HydrophobicContact CD2-CD1 4.07Å; L524-I534 HydrophobicContact CD1-CD1 3.91Å; L524-I534 HydrophobicContact CD2-CB 4.45Å; L524-I534 HydrophobicContact CD2-CD1 3.95Å; L524-I534 HydrophobicContact CD2-CG1 3.82Å; L524-I534 HydrophobicContact CD2-CG2 3.87Å; D532-I534 PolarHBondContact O-N 3.47Å; D532-I534 VanDerWaalsContact O-N 3.1Å; I534-V537 HydrophobicContact CG2-CB 4.05Å; I534-V537 HydrophobicContact CG2-CG2 3.72Å; I534-L540 HydrophobicContact CD1-CD2 4.16Å; I534-L540 HydrophobicContact CG2-CD2 4.05Å | ||
| 535 | Q | 52.7 | Low | 66.2 | Low | 185 Ų | 185 | 69 Ų | 69 | 86% | 0.864 | 41% | 0.407 | S | S | * | . | trans | -113.1 | -8 | 175.6 | -76.7 | -167.5 | -54.3 | 0 | 0 | 115 | C533 | C533-Q535 PolarHBondContact O-N 3.18Š| ||
| 536 | E | 57.6 | Low | 67.5 | Low | 179 Ų | 179 | 70.1 Ų | 70.1 | 84% | 0.836 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -117.7 | 16.5 | -168 | -59.3 | -167.2 | 152.9 | 0 | 0 | 115.2 | ||
| 537 | V | 67.4 | Low | 69.2 | Low | 15 Ų | 15 | 64 Ų | 64 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -109.4 | 119.4 | 178.3 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | Y515 L523 L524 I534 L540 | Y515-V537 HydrophobicContact CD2-CG1 4.4Å; Y515-V537 HydrophobicContact CE2-CG1 3.8Å; L523-V537 HydrophobicContact CB-CG2 4.13Å; L523-V537 HydrophobicContact CD1-CG2 4.35Å; L524-V537 HydrophobicContact CD1-CG2 4.43Å; L524-V537 HydrophobicContact CD2-CG2 4.07Å; L524-V537 HydrophobicContact CG-CG2 4.09Å; I534-V537 HydrophobicContact CG2-CB 4.05Å; I534-V537 HydrophobicContact CG2-CG2 3.72Å; V537-L540 HydrophobicContact CB-CB 4.08Å; V537-L540 HydrophobicContact CB-CD2 3.96Å; V537-L540 HydrophobicContact CG1-CB 3.88Å; V537-L540 HydrophobicContact CG1-CD2 3.87Å; V537-L540 HydrophobicContact CG2-CD2 4.42Å; V537-L540 PolarHBondContact O-N 3.44Å |
| 538 | P | 72.9 | Confident | 70.9 | Confident | 70 Ų | 70 | 60.5 Ų | 60.5 | 46% | 0.455 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 138.2 | -176.9 | 27.3 | -34.3 | 0 | 0 | 0 | 112.1 | L540 | P538-L540 PolarHBondContact O-N 3.29Š|
| 539 | H | 77.9 | Confident | 72.6 | Confident | 102 Ų | 102 | 59.3 Ų | 59.3 | 47% | 0.472 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 19.8 | -179.7 | -48.3 | -49.6 | 0 | 0 | 0 | 115.6 | G512 K514 | G512-H539 PolarHBondContact N-O 3.5Å; K514-H539 HydrophobicContact CB-CB 4.48Å; K514-H539 WeakPolarHBondContact CB-CD2 3.23Å |
| 540 | L | 83.3 | Confident | 74.2 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.8 | 170.7 | -174.7 | 62.8 | 0 | 0 | 0 | 109.4 | L509 L511 Y515 L524 I534 V537 P538 | L509-L540 HydrophobicContact CB-CD1 3.99Å; L511-L540 HydrophobicContact CD2-CD1 3.46Å; L511-L540 VanDerWaalsContact CD2-CD1 3.46Å; Y515-L540 HydrophobicContact CD2-CB 4.33Å; Y515-L540 HydrophobicContact CE2-CB 4.26Å; Y515-L540 HydrophobicContact CE2-CD1 4.49Å; Y515-L540 HydrophobicContact CE2-CD2 4.33Å; L524-L540 HydrophobicContact CD1-CD2 4.43Å; I534-L540 HydrophobicContact CD1-CD2 4.16Å; I534-L540 HydrophobicContact CG2-CD2 4.05Å; V537-L540 HydrophobicContact CB-CB 4.08Å; V537-L540 HydrophobicContact CB-CD2 3.96Å; V537-L540 HydrophobicContact CG1-CB 3.88Å; V537-L540 HydrophobicContact CG1-CD2 3.87Å; V537-L540 HydrophobicContact CG2-CD2 4.42Å; V537-L540 PolarHBondContact O-N 3.44Å; P538-L540 PolarHBondContact O-N 3.29Å |
| 541 | S | 83.5 | Confident | 75.6 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 41% | 0.406 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 146.9 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 110.5 | L509 V510 | L509-S541 CarbonylContact C-O 3.56Å; L509-S541 WeakPolarHBondContact CA-O 3.3Å; V510-S541 PolarHBondContact N-O 3.41Å; V510-S541 PolarHBondContact O-N 2.99Å; V510-S541 VanDerWaalsContact O-N 3.15Å |
| 542 | C | 85.3 | Confident | 77.1 | Confident | 44 Ų | 44 | 54.5 Ų | 54.5 | 30% | 0.297 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126.5 | 173.3 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | R507 V508 L509 A530 | R507-C542 PolarHBondContact NE-SG 2.85Å; R507-C542 VanDerWaalsContact NE-SG 3.39Å; R507-C542 PolarHBondContact NH2-SG 2.86Å; R507-C542 VanDerWaalsContact NH2-SG 3.39Å; V508-C542 WeakPolarHBondContact O-CA 3.41Å; L509-C542 HydrophobicContact CD2-CB 4.1Å; A530-C542 PolarHBondContact O-SG 3.26Å |
| 543 | C | 85.7 | Confident | 78.2 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 9% | 0.088 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 150.8 | -176.6 | -50.8 | 0 | 0 | 0 | 0 | 110.9 | V508 V510 L573 C576 | V508-C543 PolarHBondContact N-O 2.95Å; V508-C543 PolarHBondContact O-N 3.43Å; V510-C543 HydrophobicContact CG2-CB 3.94Å; V510-C543 VanDerWaalsContact CG2-SG 3.59Å; C543-L573 HydrophobicContact CB-CD2 4.16Å; C543-C576 HydrophobicContact CB-CB 4.17Å; C543-C576 WeakPolarHBondContact CB-SG 3.33Å; C543-C576 WeakPolarHBondContact SG-CB 3.42Å; C543-C576 CovalentContact SG-SG 2.04Å; C543-C576 PolarHBondContact SG-SG 2.92Å |
| 544 | T | 88.9 | Confident | 79.4 | Confident | 71 Ų | 71 | 50.8 Ų | 50.8 | 44% | 0.436 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 131.1 | -179.7 | 39.3 | 0 | 0 | 0 | 0 | 111.6 | R507 E546 | R507-T544 HydrophobicContact CG-CG2 3.65Å; T544-E546 PolarHBondContact O-N 3.13Å |
| 545 | V | 88.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -72.7 | 103.1 | 170.5 | 173.1 | 0 | 0 | 0 | 0 | 109 | V502 G505 Q506 V508 L548 I570 | V502-V545 HydrophobicContact CG1-CG1 4.31Å; V502-V545 HydrophobicContact CG1-CG2 4.35Å; G505-V545 VanDerWaalsContact CA-O 3.31Å; G505-V545 WeakPolarHBondContact CA-O 3.45Å; G505-V545 PolarHBondContact N-O 2.91Å; Q506-V545 PolarHBondContact O-N 3.48Å; V508-V545 HydrophobicContact CG1-CG2 4.25Å; V508-V545 HydrophobicContact CG2-CG2 4.09Å; V545-L548 HydrophobicContact CG1-CD2 3.63Å; V545-L548 HydrophobicContact CG1-CG 3.91Å; V545-I570 HydrophobicContact CG1-CG2 3.87Å; V545-I570 HydrophobicContact CG2-CG2 4.29Å | ||
| 546 | E | 87.7 | Confident | 81.8 | Confident | 112 Ų | 112 | 44.7 Ų | 44.7 | 52% | 0.523 | 24% | 0.237 | S | C | . | . | trans | -75.2 | -60.4 | -175.6 | -70 | -171.5 | 151 | 0 | 0 | 112.6 | K504 T544 G571 G572 | K504-E546 WeakPolarHBondContact CE-O 3.32Å; K504-E546 WeakPolarHBondContact CG-O 3.32Å; T544-E546 PolarHBondContact O-N 3.13Å; E546-G571 PolarHBondContact N-O 3.26Å; E546-G572 WeakPolarHBondContact OE2-CA 3.36Å | ||
| 547 | N | 89 | Confident | 83 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 14% | 0.139 | 21% | 0.208 | C | C | . | . | trans | -130.8 | 145.3 | -178.9 | -64.5 | -23.7 | 0 | 0 | 0 | 109.7 | Q428 K504 Y549 G571 | Q428-N547 PolarHBondContact NE2-ND2 3.07Å; K504-N547 WeakPolarHBondContact CE-OD1 3.48Å; K504-N547 PolarHBondContact NZ-OD1 3.44Å; N547-Y549 HydrophobicContact CB-CE1 4.1Å; N547-Y549 HydrophobicContact CB-CE2 3.88Å; N547-Y549 WeakPolarHBondContact CB-OH 3.46Å; N547-Y549 PolarHBondContact ND2-OH 3.04Å; N547-G571 PolarHBondContact O-N 3.09Å | ||
| 548 | L | 90.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 135.8 | 173.5 | -67.2 | 172 | 0 | 0 | 0 | 109.7 | V502 V545 E558 L559 I562 M568 I570 | V502-L548 HydrophobicContact CG1-CD1 4.2Å; V502-L548 HydrophobicContact CG1-CD2 4.11Å; V545-L548 HydrophobicContact CG1-CD2 3.63Å; V545-L548 HydrophobicContact CG1-CG 3.91Å; L548-E558 WeakPolarHBondContact O-CA 3.22Å; L548-L559 PolarHBondContact O-N 2.69Å; L548-I562 HydrophobicContact CB-CD1 3.94Å; L548-I562 HydrophobicContact CB-CG1 4.39Å; L548-I562 HydrophobicContact CD1-CG1 4.26Å; L548-M568 HydrophobicContact CD2-CE 3.94Å; L548-M568 HydrophobicContact CD2-SD 3.88Å; L548-I570 HydrophobicContact CD2-CG2 4.22Å |
| 549 | Y | 89.6 | Confident | 84.6 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134 | -176.7 | -53 | -72.7 | 0 | 0 | 0 | 112 | P427 I492 N547 E557 E558 G569 | P427-Y549 HydrophobicContact CG-CD1 4.11Å; P427-Y549 HydrophobicContact CG-CE1 4.08Å; I492-Y549 HydrophobicContact CD1-CD2 3.73Å; I492-Y549 HydrophobicContact CD1-CE2 3.77Å; I492-Y549 HydrophobicContact CD1-CG 4.39Å; I492-Y549 HydrophobicContact CG1-CD2 4.28Å; I492-Y549 HydrophobicContact CG1-CE2 4.15Å; I492-Y549 HydrophobicContact CG2-CD2 4.02Å; N547-Y549 HydrophobicContact CB-CE1 4.1Å; N547-Y549 HydrophobicContact CB-CE2 3.88Å; N547-Y549 WeakPolarHBondContact CB-OH 3.46Å; N547-Y549 PolarHBondContact ND2-OH 3.04Å; Y549-E557 CarbonylContact C-O 3.53Å; Y549-E557 VanDerWaalsContact CA-O 3.32Å; Y549-E557 WeakPolarHBondContact CA-O 3.23Å; Y549-E558 HydrophobicContact CD1-CB 4.39Å; Y549-E558 HydrophobicContact CD1-CG 4.46Å; Y549-E558 HydrophobicContact CE1-CG 4.36Å; Y549-G569 PolarHBondContact N-O 3.04Å; Y549-G569 PolarHBondContact O-N 3.16Å |
| 550 | L | 87.9 | Confident | 85 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 141.6 | 159.9 | -169 | 60.3 | 0 | 0 | 0 | 109.2 | I9 S76 M552 E557 L559 | I9-L550 HydrophobicContact CG2-CD2 3.75Å; S76-L550 WeakPolarHBondContact OG-CD1 3.49Å; L550-M552 HydrophobicContact CD2-CE 3.8Å; L550-M552 HydrophobicContact CG-CE 4.35Å; L550-E557 HydrophobicContact CB-CB 4.33Å; L550-E557 PolarHBondContact N-O 3.47Å; L550-E557 PolarHBondContact O-N 3.03Å; L550-L559 HydrophobicContact CB-CD1 3.92Å; L550-L559 HydrophobicContact CB-CG 4.46Å; L550-L559 HydrophobicContact CD2-CD1 4.49Å |
| 551 | L | 85.4 | Confident | 85.3 | Confident | 12 Ų | 12 | 42.2 Ų | 42.2 | 6% | 0.063 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 119.6 | -171.7 | -53.4 | -178.9 | 0 | 0 | 0 | 109.5 | A74 I75 S76 F419 F494 L556 | A74-L551 HydrophobicContact CB-CB 4.04Å; A74-L551 HydrophobicContact CB-CD1 4.01Å; A74-L551 CarbonylContact O-C 3.56Å; I75-L551 WeakPolarHBondContact CA-O 3.49Å; S76-L551 PolarHBondContact N-O 3.08Å; F419-L551 HydrophobicContact CE1-CD1 4.45Å; F419-L551 HydrophobicContact CZ-CD1 4.29Å; F419-L551 HydrophobicContact CZ-CD2 3.92Å; F494-L551 HydrophobicContact CD2-CD1 3.52Å; F494-L551 HydrophobicContact CE2-CD1 3.61Å; L551-L556 HydrophobicContact CD2-CD2 3.34Å |
| 552 | M | 82.9 | Confident | 85.6 | Confident | 20 Ų | 20 | 39.5 Ų | 39.5 | 10% | 0.099 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 46.6 | -177 | -68.6 | -62.8 | -166.2 | 0 | 0 | 111.2 | I9 Y56 I75 L550 R554 E555 E557 | I9-M552 HydrophobicContact CD1-CE 3.82Å; Y56-M552 PolarHBondContact OH-O 3.14Å; I75-M552 HydrophobicContact CG1-SD 4.33Å; L550-M552 HydrophobicContact CD2-CE 3.8Å; L550-M552 HydrophobicContact CG-CE 4.35Å; M552-R554 PolarHBondContact O-N 2.66Å; M552-R554 VanDerWaalsContact O-N 3.12Å; M552-E555 CarbonylContact C-O 3.59Å; M552-E555 WeakPolarHBondContact CA-O 3.23Å; M552-E555 HydrophobicContact CB-CB 4.15Å; M552-E555 WeakPolarHBondContact CB-O 3.46Å; M552-E555 PolarHBondContact N-O 2.98Å; M552-E555 PolarHBondContact O-N 3.28Å; M552-E557 WeakPolarHBondContact CE-OE2 3.36Å; M552-E557 HydrophobicContact CG-CG 4.12Å |
| 553 | G | 80 | Confident | 85.9 | Confident | 22 Ų | 22 | 37.8 Ų | 37.8 | 23% | 0.227 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | -101.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A74 E555 | A74-G553 WeakPolarHBondContact O-CA 3.44Å; A74-G553 PolarHBondContact O-N 2.73Å; G553-E555 VanDerWaalsContact C-N 3.3Å |
| 554 | R | 74.3 | Confident | 86.1 | Confident | 87 Ų | 87 | 37.1 Ų | 37.1 | 33% | 0.328 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -11.6 | 176.4 | -58.3 | -173 | -176 | -158.3 | -1.3 | 113.5 | R55 Y56 D58 M552 | R55-R554 PolarHBondContact O-NH2 3.46Å; R55-R554 VanDerWaalsContact O-NH2 3.14Å; Y56-R554 HydrophobicContact CE2-CG 4.42Å; Y56-R554 WeakPolarHBondContact O-CG 3.31Å; Y56-R554 PolarHBondContact O-NE 3.25Å; D58-R554 PolarHBondContact O-NH2 2.86Å; M552-R554 PolarHBondContact O-N 2.66Å; M552-R554 VanDerWaalsContact O-N 3.12Å |
| 555 | E | 77.5 | Confident | 86 | Confident | 70 Ų | 70 | 33.8 Ų | 33.8 | 33% | 0.327 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 151.7 | -173.6 | -54 | -165.5 | 173 | 0 | 0 | 111.2 | R430 M552 G553 | R430-E555 IonicContact CZ-OE1 3.5Å; R430-E555 IonicContact CZ-OE2 2.7Å; R430-E555 IonicContact NH1-OE1 2.76Å; R430-E555 IonicContact NH1-OE2 2.98Å; R430-E555 PolarHBondContact NH1-OE2 3.38Å; R430-E555 IonicContact NH2-OE1 3.64Å; R430-E555 PolarHBondContact NH2-OE1 3.09Å; R430-E555 IonicContact NH2-OE2 3.45Å; R430-E555 PolarHBondContact NH2-OE2 3.32Å; M552-E555 CarbonylContact C-O 3.59Å; M552-E555 WeakPolarHBondContact CA-O 3.23Å; M552-E555 HydrophobicContact CB-CB 4.15Å; M552-E555 WeakPolarHBondContact CB-O 3.46Å; M552-E555 PolarHBondContact N-O 2.98Å; M552-E555 PolarHBondContact O-N 3.28Å; G553-E555 VanDerWaalsContact C-N 3.3Å |
| 556 | L | 81.8 | Confident | 86 | Confident | 16 Ų | 16 | 33.8 Ų | 33.8 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 142.4 | 177.1 | -62.9 | 171.9 | 0 | 0 | 0 | 108.9 | V421 L426 P427 I492 L551 | V421-L556 HydrophobicContact CG1-CD1 3.91Å; L426-L556 HydrophobicContact CD2-CD1 3.98Å; P427-L556 HydrophobicContact CG-CB 3.95Å; P427-L556 WeakPolarHBondContact CG-O 3.24Å; I492-L556 HydrophobicContact CD1-CD1 3.49Å; I492-L556 VanDerWaalsContact CD1-CD1 3.49Å; I492-L556 HydrophobicContact CD1-CD2 4.3Å; L551-L556 HydrophobicContact CD2-CD2 3.34Å |
| 557 | E | 83.8 | Confident | 86.2 | Confident | 51 Ų | 51 | 28.8 Ų | 28.8 | 24% | 0.238 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 125.4 | 174 | -57.4 | -172.9 | 127.2 | 0 | 0 | 109.2 | L6 Y549 L550 M552 | L6-E557 HydrophobicContact CD2-CB 4.1Å; L6-E557 VanDerWaalsContact CD2-CD 3.48Å; L6-E557 HydrophobicContact CD2-CG 4.31Å; L6-E557 WeakPolarHBondContact CD2-OE2 3.49Å; Y549-E557 CarbonylContact C-O 3.53Å; Y549-E557 VanDerWaalsContact CA-O 3.32Å; Y549-E557 WeakPolarHBondContact CA-O 3.23Å; L550-E557 HydrophobicContact CB-CB 4.33Å; L550-E557 PolarHBondContact N-O 3.47Å; L550-E557 PolarHBondContact O-N 3.03Å; M552-E557 WeakPolarHBondContact CE-OE2 3.36Å; M552-E557 HydrophobicContact CG-CG 4.12Å |
| 558 | E | 85.9 | Confident | 86.3 | Confident | 54 Ų | 54 | 27.5 Ų | 27.5 | 25% | 0.252 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 134.9 | -177.7 | -165.4 | 177.2 | 158.3 | 0 | 0 | 111.5 | P427 Q428 K504 L548 Y549 | P427-E558 HydrophobicContact CB-CB 4.26Å; P427-E558 HydrophobicContact CG-CB 4.18Å; Q428-E558 WeakPolarHBondContact CG-OE2 3.35Å; Q428-E558 PolarHBondContact NE2-OE1 2.86Å; Q428-E558 PolarHBondContact NE2-OE2 3.47Å; K504-E558 IonicContact NZ-OE1 3.51Å; K504-E558 PolarHBondContact NZ-OE1 3.05Å; L548-E558 WeakPolarHBondContact O-CA 3.22Å; Y549-E558 HydrophobicContact CD1-CB 4.39Å; Y549-E558 HydrophobicContact CD1-CG 4.46Å; Y549-E558 HydrophobicContact CE1-CG 4.36Å |
| 559 | L | 86.8 | Confident | 86.3 | Confident | 8 Ų | 8 | 27.5 Ų | 27.5 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 153.8 | 179.5 | -65.3 | 179.5 | 0 | 0 | 0 | 111.5 | K10 L548 L550 I562 | K10-L559 HydrophobicContact CG-CD2 4.21Å; L548-L559 PolarHBondContact O-N 2.69Å; L550-L559 HydrophobicContact CB-CD1 3.92Å; L550-L559 HydrophobicContact CB-CG 4.46Å; L550-L559 HydrophobicContact CD2-CD1 4.49Å; L559-I562 HydrophobicContact CB-CD1 4.24Å; L559-I562 HydrophobicContact CB-CG1 4.06Å; L559-I562 HydrophobicContact CD1-CD1 3.91Å; L559-I562 HydrophobicContact CD1-CG1 3.88Å |
| 560 | E | 87.5 | Confident | 86.4 | Confident | 158 Ų | 158 | 27.3 Ų | 27.3 | 74% | 0.738 | 13% | 0.132 | S | C | * | . | S | Bend | trans | -91.2 | -36.6 | -179.5 | -64.9 | 174.8 | 173.4 | 0 | 0 | 112.6 | K503 K504 | K503-E560 WeakPolarHBondContact CA-O 3.29Å; K504-E560 PolarHBondContact N-O 2.91Å |
| 561 | E | 88.9 | Confident | 86.4 | Confident | 58 Ų | 58 | 27.3 Ų | 27.3 | 27% | 0.271 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 144.3 | 175.2 | 63.4 | 178.5 | -159 | 0 | 0 | 110.2 | R14 T501 V502 K503 | R14-E561 IonicContact CZ-OE1 2.74Å; R14-E561 IonicContact NE-OE1 2.76Å; R14-E561 IonicContact NH2-OE1 3.1Å; R14-E561 PolarHBondContact NH2-OE1 2.8Å; T501-E561 HydrophobicContact CG2-CB 4.11Å; V502-E561 CarbonylContact O-C 3.57Å; V502-E561 VanDerWaalsContact O-CA 3.25Å; V502-E561 WeakPolarHBondContact O-CA 3.37Å; K503-E561 HydrophobicContact CD-CB 4.42Å; K503-E561 VanDerWaalsContact CE-OE2 3.31Å; K503-E561 WeakPolarHBondContact CE-OE2 3.41Å; K503-E561 HydrophobicContact CG-CB 4Å; K503-E561 IonicContact NZ-OE2 2.68Å; K503-E561 PolarHBondContact NZ-OE2 3.17Å |
| 562 | I | 89.5 | Confident | 86.4 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125.4 | 173.6 | -56.7 | -177.5 | 0 | 0 | 0 | 108.6 | I497 V502 L548 L559 N566 M568 | I497-I562 HydrophobicContact CD1-CB 4.01Å; I497-I562 HydrophobicContact CD1-CG2 3.82Å; I497-I562 WeakPolarHBondContact CD1-O 3.48Å; V502-I562 PolarHBondContact N-O 2.86Å; V502-I562 PolarHBondContact O-N 3.28Å; L548-I562 HydrophobicContact CB-CD1 3.94Å; L548-I562 HydrophobicContact CB-CG1 4.39Å; L548-I562 HydrophobicContact CD1-CG1 4.26Å; L559-I562 HydrophobicContact CB-CD1 4.24Å; L559-I562 HydrophobicContact CB-CG1 4.06Å; L559-I562 HydrophobicContact CD1-CD1 3.91Å; L559-I562 HydrophobicContact CD1-CG1 3.88Å; I562-N566 HydrophobicContact CG2-CB 3.74Å; I562-M568 HydrophobicContact CB-SD 3.95Å; I562-M568 HydrophobicContact CD1-CB 3.67Å; I562-M568 HydrophobicContact CD1-CG 4.34Å; I562-M568 HydrophobicContact CD1-SD 3.74Å; I562-M568 HydrophobicContact CG1-SD 4.36Å; I562-M568 HydrophobicContact CG2-SD 4.02Å |
| 563 | P | 90.8 | Very high | 86.5 | Confident | 8 Ų | 8 | 27.1 Ų | 27.1 | 5% | 0.052 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 168.2 | -178.7 | 35.4 | -35.1 | 0 | 0 | 0 | 113.1 | Q13 N566 | Q13-P563 HydrophobicContact CB-CG 4.18Å; Q13-P563 WeakPolarHBondContact O-CG 3.2Å; P563-N566 PolarHBondContact O-ND2 2.99Å |
| 564 | A | 90.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 153.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | C403 S405 I497 G500 N566 | C403-A564 WeakPolarHBondContact O-CB 3.29Å; S405-A564 PolarHBondContact OG-N 3.16Å; I497-A564 HydrophobicContact CG2-CB 4.2Å; G500-A564 WeakPolarHBondContact O-CB 3.23Å; G500-A564 PolarHBondContact O-N 3.04Å; G500-A564 VanDerWaalsContact O-N 3.12Å; A564-N566 VanDerWaalsContact C-N 3.26Å; A564-N566 PolarHBondContact O-N 3.43Å; A564-N566 PolarHBondContact O-ND2 2.89Å |
| 565 | G | 86.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -10.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N21 I497 | N21-G565 PolarHBondContact ND2-O 2.97Å; N21-G565 PolarHBondContact OD1-O 3.15Å; I497-G565 PolarHBondContact O-N 3.41Å |
| 566 | N | 90.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -88.1 | 152.5 | 178.4 | -70.9 | -81.1 | 0 | 0 | 0 | 113.4 | Q13 I19 R496 I497 I562 P563 A564 | Q13-N566 PolarHBondContact O-ND2 3.46Å; I19-N566 WeakPolarHBondContact CD1-ND2 3.11Å; I19-N566 WeakPolarHBondContact CD1-OD1 3.48Å; R496-N566 WeakPolarHBondContact CA-O 3.47Å; I497-N566 PolarHBondContact N-O 2.86Å; I497-N566 VanDerWaalsContact N-O 3.11Å; I562-N566 HydrophobicContact CG2-CB 3.74Å; P563-N566 PolarHBondContact O-ND2 2.99Å; A564-N566 VanDerWaalsContact C-N 3.26Å; A564-N566 PolarHBondContact O-N 3.43Å; A564-N566 PolarHBondContact O-ND2 2.89Å | ||
| 567 | V | 91.3 | Very high | 87.2 | Confident | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.042 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 138 | 166.3 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | N21 F494 A495 R496 | N21-V567 HydrophobicContact CB-CG2 4.44Å; F494-V567 HydrophobicContact CD2-CG1 4.08Å; F494-V567 HydrophobicContact CE2-CG1 3.36Å; F494-V567 HydrophobicContact CZ-CG1 3.94Å; A495-V567 CarbonylContact O-C 3.53Å; A495-V567 WeakPolarHBondContact O-CA 3.32Å; R496-V567 HydrophobicContact CB-CG2 4.39Å |
| 568 | M | 90.5 | Very high | 87.1 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 166.1 | -175 | 70.4 | -172.4 | -173.3 | 0 | 0 | 113.4 | I413 A495 I497 V502 L548 I562 I570 | I413-M568 HydrophobicContact CD1-CE 4.15Å; I413-M568 HydrophobicContact CG2-CE 4.05Å; A495-M568 PolarHBondContact N-O 2.93Å; A495-M568 PolarHBondContact O-N 3.07Å; I497-M568 HydrophobicContact CD1-CE 3.79Å; I497-M568 HydrophobicContact CD1-SD 3.61Å; I497-M568 HydrophobicContact CG1-CE 3.6Å; I497-M568 HydrophobicContact CG1-SD 3.86Å; V502-M568 HydrophobicContact CB-CE 4.29Å; V502-M568 HydrophobicContact CG1-CE 4.24Å; V502-M568 HydrophobicContact CG2-CE 4.2Å; L548-M568 HydrophobicContact CD2-CE 3.94Å; L548-M568 HydrophobicContact CD2-SD 3.88Å; I562-M568 HydrophobicContact CB-SD 3.95Å; I562-M568 HydrophobicContact CD1-CB 3.67Å; I562-M568 HydrophobicContact CD1-CG 4.34Å; I562-M568 HydrophobicContact CD1-SD 3.74Å; I562-M568 HydrophobicContact CG1-SD 4.36Å; I562-M568 HydrophobicContact CG2-SD 4.02Å; M568-I570 HydrophobicContact CE-CD1 3.59Å; M568-I570 HydrophobicContact CE-CG1 3.79Å; M568-I570 HydrophobicContact CG-CG1 4.26Å |
| 569 | G | 90.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 138.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A493 Y549 | A493-G569 CarbonylContact O-C 3.58Å; A493-G569 WeakPolarHBondContact O-CA 3.33Å; Y549-G569 PolarHBondContact N-O 3.04Å; Y549-G569 PolarHBondContact O-N 3.16Å |
| 570 | I | 91.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.7 | 176.2 | -34.2 | -178.4 | 0 | 0 | 0 | 110 | I413 I492 A493 A495 V545 L548 M568 L573 L583 | I413-I570 HydrophobicContact CD1-CD1 4.49Å; I413-I570 HydrophobicContact CG2-CD1 4.28Å; I492-I570 WeakPolarHBondContact CA-O 3.48Å; A493-I570 HydrophobicContact CB-CB 4.17Å; A493-I570 HydrophobicContact CB-CG1 4.46Å; A493-I570 PolarHBondContact N-O 3.21Å; A493-I570 PolarHBondContact O-N 3.02Å; A495-I570 HydrophobicContact CB-CD1 3.76Å; A495-I570 HydrophobicContact CB-CG1 4.07Å; V545-I570 HydrophobicContact CG1-CG2 3.87Å; V545-I570 HydrophobicContact CG2-CG2 4.29Å; L548-I570 HydrophobicContact CD2-CG2 4.22Å; M568-I570 HydrophobicContact CE-CD1 3.59Å; M568-I570 HydrophobicContact CE-CG1 3.79Å; M568-I570 HydrophobicContact CG-CG1 4.26Å; I570-L573 HydrophobicContact CB-CD1 4Å; I570-L573 HydrophobicContact CD1-CD1 4.13Å; I570-L573 HydrophobicContact CG2-CD1 3.96Å; I570-L573 HydrophobicContact CG2-CG 4.36Å; I570-L583 HydrophobicContact CD1-CD1 3.86Å |
| 571 | G | 88.9 | Confident | 86.8 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | trans | -91.7 | 158.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113 | E546 N547 | E546-G571 PolarHBondContact N-O 3.26Å; N547-G571 PolarHBondContact O-N 3.09Å | ||
| 572 | G | 84.7 | Confident | 86.8 | Confident | 26 Ų | 26 | 23.1 Ų | 23.1 | 27% | 0.268 | 13% | 0.131 | S | C | . | . | S | Bend | trans | 87.6 | 18.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | E546 | E546-G572 WeakPolarHBondContact OE2-CA 3.36Š|
| 573 | L | 84.2 | Confident | 86.9 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | trans | -109.6 | 7.8 | -177.1 | -62.4 | -177.5 | 0 | 0 | 0 | 114.7 | V415 A493 C543 I570 D575 C576 V577 L583 | V415-L573 HydrophobicContact CG2-CD1 4.44Å; A493-L573 HydrophobicContact CB-CD1 3.94Å; C543-L573 HydrophobicContact CB-CD2 4.16Å; I570-L573 HydrophobicContact CB-CD1 4Å; I570-L573 HydrophobicContact CD1-CD1 4.13Å; I570-L573 HydrophobicContact CG2-CD1 3.96Å; I570-L573 HydrophobicContact CG2-CG 4.36Å; L573-D575 PolarHBondContact O-N 3Å; L573-C576 PolarHBondContact O-N 3.39Å; L573-C576 VanDerWaalsContact O-N 3.14Å; L573-V577 HydrophobicContact CB-CG2 4.13Å; L573-V577 PolarHBondContact O-N 2.62Å; L573-L583 HydrophobicContact CD1-CD1 3.84Å | ||
| 574 | E | 81.9 | Confident | 86.7 | Confident | 71 Ų | 71 | 22.7 Ų | 22.7 | 33% | 0.332 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -48.5 | -170.4 | -81.5 | 171.4 | -162 | 0 | 0 | 114.9 | F491 Q627 | F491-E574 HydrophobicContact CB-CG 3.67Å; F491-E574 HydrophobicContact CD2-CG 4.18Å; F491-E574 HydrophobicContact CG-CG 4.18Å; F491-E574 PolarHBondContact N-OE1 2.9Å; E574-Q627 PolarHBondContact O-NE2 2.75Å |
| 575 | D | 81.3 | Confident | 86.5 | Confident | 127 Ų | 127 | 24.2 Ų | 24.2 | 68% | 0.679 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -20 | 179.4 | -86 | -54.8 | 0 | 0 | 0 | 113.8 | L573 R623 | L573-D575 PolarHBondContact O-N 3Å; D575-R623 IonicContact OD1-CZ 2.65Å; D575-R623 IonicContact OD1-NH1 3.48Å; D575-R623 PolarHBondContact OD1-NH1 3.5Å; D575-R623 IonicContact OD1-NH2 3.85Å; D575-R623 PolarHBondContact OD1-NH2 2.68Å |
| 576 | C | 81.9 | Confident | 86.3 | Confident | 40 Ų | 40 | 25.9 Ų | 25.9 | 27% | 0.27 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -27.2 | -172.7 | -54.3 | 0 | 0 | 0 | 0 | 114 | V510 C543 L573 | V510-C576 HydrophobicContact CG1-CB 4.4Å; V510-C576 HydrophobicContact CG2-CB 3.96Å; C543-C576 HydrophobicContact CB-CB 4.17Å; C543-C576 WeakPolarHBondContact CB-SG 3.33Å; C543-C576 WeakPolarHBondContact SG-CB 3.42Å; C543-C576 CovalentContact SG-SG 2.04Å; C543-C576 PolarHBondContact SG-SG 2.92Å; L573-C576 PolarHBondContact O-N 3.39Å; L573-C576 VanDerWaalsContact O-N 3.14Å |
| 577 | V | 84.1 | Confident | 85.9 | Confident | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | trans | -112.9 | 132.5 | -170.5 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | V415 M418 V510 L573 A581 Q627 | V415-V577 HydrophobicContact CG1-CG1 4.27Å; M418-V577 HydrophobicContact CE-CB 3.9Å; M418-V577 HydrophobicContact CE-CG1 4.14Å; M418-V577 WeakPolarHBondContact CE-O 3.47Å; M418-V577 HydrophobicContact CG-CG1 4.33Å; M418-V577 HydrophobicContact SD-CB 3.85Å; M418-V577 HydrophobicContact SD-CG1 4.07Å; V510-V577 HydrophobicContact CG1-CG2 4.22Å; L573-V577 HydrophobicContact CB-CG2 4.13Å; L573-V577 PolarHBondContact O-N 2.62Å; V577-A581 HydrophobicContact CB-CB 4.5Å; V577-A581 HydrophobicContact CG1-CB 4.01Å; V577-A581 HydrophobicContact CG2-CB 3.88Å; V577-Q627 PolarHBondContact O-NE2 3.16Å | ||
| 578 | L | 80.8 | Confident | 85.4 | Confident | 117 Ų | 117 | 26 Ų | 26 | 61% | 0.613 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -93.3 | -43.9 | -179.5 | -68.2 | 175.7 | 0 | 0 | 0 | 114 | Q627 | L578-Q627 WeakPolarHBondContact O-CG 3.36Š|
| 579 | K | 81 | Confident | 84.9 | Confident | 42 Ų | 42 | 26 Ų | 26 | 18% | 0.183 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -150.1 | -69.2 | 176.1 | -84.2 | -170.1 | 171.3 | -172.3 | 0 | 109.8 | N626 P630 A632 | K579-N626 VanDerWaalsContact CE-O 3.23Å; K579-N626 WeakPolarHBondContact CE-O 3.46Å; K579-N626 WeakPolarHBondContact CE-OD1 3.37Å; K579-N626 WeakPolarHBondContact CG-O 3.34Å; K579-P630 PolarHBondContact NZ-O 3Å; K579-A632 VanDerWaalsContact CE-O 3.31Å; K579-A632 WeakPolarHBondContact CE-O 3.16Å; K579-A632 PolarHBondContact NZ-O 3.34Å |
| 580 | T | 86 | Confident | 84.5 | Confident | 33 Ų | 33 | 26 Ų | 26 | 20% | 0.202 | 15% | 0.154 | C | C | . | . | trans | -108.5 | 156.4 | 168.4 | 52.8 | 0 | 0 | 0 | 0 | 109.9 | F414 V415 S416 L595 | F414-T580 HydrophobicContact CZ-CG2 4.23Å; V415-T580 WeakPolarHBondContact O-CA 3.4Å; S416-T580 WeakPolarHBondContact O-CG2 3.42Å; T580-L595 HydrophobicContact CG2-CD1 4.45Å | ||
| 581 | A | 87.3 | Confident | 84.2 | Confident | 6 Ų | 6 | 26.4 Ų | 26.4 | 5% | 0.05 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 149 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V415 V510 V577 L583 | V415-A581 HydrophobicContact CB-CB 4.46Å; V415-A581 PolarHBondContact N-O 2.85Å; V415-A581 PolarHBondContact O-N 3.35Å; V510-A581 HydrophobicContact CG1-CB 3.89Å; V577-A581 HydrophobicContact CB-CB 4.5Å; V577-A581 HydrophobicContact CG1-CB 4.01Å; V577-A581 HydrophobicContact CG2-CB 3.88Å; A581-L583 HydrophobicContact CB-CD2 4.35Å |
| 582 | T | 89.9 | Confident | 84.1 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 133.7 | 162 | -54.4 | 0 | 0 | 0 | 0 | 107.6 | L511 F592 | L511-T582 WeakPolarHBondContact CB-O 3.39Å; L511-T582 HydrophobicContact CD1-CG2 4.05Å; L511-T582 WeakPolarHBondContact CG-O 3.46Å; L511-T582 PolarHBondContact N-O 3.23Å; T582-F592 HydrophobicContact CG2-CD1 3.8Å; T582-F592 HydrophobicContact CG2-CE1 3.57Å; T582-F592 HydrophobicContact CG2-CE2 4.35Å; T582-F592 HydrophobicContact CG2-CG 4.25Å; T582-F592 HydrophobicContact CG2-CZ 3.85Å; T582-F592 WeakPolarHBondContact OG1-CG 3.32Å; T582-F592 PolarHBondContact OG1-N 3.42Å |
| 583 | L | 90.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.6 | 175.3 | -44.8 | 175.6 | 0 | 0 | 0 | 108.3 | I413 V415 V508 L509 V510 I570 L573 A581 | I413-L583 HydrophobicContact CB-CB 4.01Å; I413-L583 HydrophobicContact CB-CD1 4.28Å; I413-L583 HydrophobicContact CB-CG 4.41Å; I413-L583 HydrophobicContact CD1-CB 4.14Å; I413-L583 HydrophobicContact CD1-CD1 4.01Å; I413-L583 HydrophobicContact CG1-CB 4.22Å; I413-L583 PolarHBondContact N-O 3.33Å; I413-L583 PolarHBondContact O-N 3.12Å; V415-L583 HydrophobicContact CG2-CD1 3.82Å; V415-L583 HydrophobicContact CG2-CG 4.1Å; V508-L583 HydrophobicContact CG2-CB 4.44Å; L509-L583 CarbonylContact O-C 3.58Å; L509-L583 VanDerWaalsContact O-CA 3.27Å; L509-L583 WeakPolarHBondContact O-CA 3.43Å; V510-L583 HydrophobicContact CB-CD2 4.13Å; V510-L583 HydrophobicContact CG1-CD2 3.93Å; V510-L583 HydrophobicContact CG2-CD2 3.83Å; I570-L583 HydrophobicContact CD1-CD1 3.86Å; L573-L583 HydrophobicContact CD1-CD1 3.84Å; A581-L583 HydrophobicContact CB-CD2 4.35Å |
| 584 | S | 88.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 159.4 | 173.1 | -168.9 | 0 | 0 | 0 | 0 | 113.3 | V411 L509 S586 | V411-S584 WeakPolarHBondContact O-CA 3.39Å; V411-S584 WeakPolarHBondContact O-CB 3.42Å; V411-S584 PolarHBondContact O-OG 3.43Å; L509-S584 WeakPolarHBondContact CB-O 3.32Å; L509-S584 PolarHBondContact N-O 2.91Å; L509-S584 PolarHBondContact O-N 3.02Å; S584-S586 VanDerWaalsContact C-N 3.3Å; S584-S586 PolarHBondContact OG-N 3.04Å |
| 585 | A | 84.8 | Confident | 82.5 | Confident | 32 Ų | 32 | 27 Ų | 27 | 26% | 0.264 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -75.4 | -18.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V411 | V411-A585 HydrophobicContact CB-CB 4.13Å; V411-A585 PolarHBondContact O-N 3.39Å; V411-A585 VanDerWaalsContact O-N 3.1Å |
| 586 | S | 83 | Confident | 81.7 | Confident | 34 Ų | 34 | 29.5 Ų | 29.5 | 24% | 0.238 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -119.7 | 135.9 | -173.5 | 176.9 | 0 | 0 | 0 | 0 | 112.5 | S584 A588 C589 | S584-S586 VanDerWaalsContact C-N 3.3Å; S584-S586 PolarHBondContact OG-N 3.04Å; S586-A588 PolarHBondContact O-N 3.11Å; S586-A588 WeakPolarHBondContact OG-CB 3.49Å; S586-A588 PolarHBondContact OG-N 2.94Å; S586-C589 PolarHBondContact O-N 3.49Å |
| 587 | P | 80.8 | Confident | 81.1 | Confident | 7 Ų | 7 | 31 Ų | 31 | 5% | 0.045 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -11.5 | 173.6 | 31.1 | -36 | 0 | 0 | 0 | 113.2 | L509 Y515 L524 C589 | L509-P587 HydrophobicContact CD1-CB 4.12Å; Y515-P587 WeakPolarHBondContact CE1-O 3.37Å; Y515-P587 PolarHBondContact OH-O 3.02Å; L524-P587 HydrophobicContact CD1-CB 3.61Å; L524-P587 HydrophobicContact CD1-CG 3.75Å; P587-C589 PolarHBondContact O-N 2.99Å |
| 588 | A | 81.1 | Confident | 80 | Confident | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R392 T393 L396 L521 S586 | R392-A588 HydrophobicContact CB-CB 4.06Å; T393-A588 WeakPolarHBondContact CB-O 3.43Å; T393-A588 WeakPolarHBondContact CG2-O 3.4Å; T393-A588 PolarHBondContact OG1-O 3.41Å; L396-A588 HydrophobicContact CD1-CB 4.32Å; L521-A588 HydrophobicContact CD1-CB 4.21Å; L521-A588 HydrophobicContact CD2-CB 4.12Å; S586-A588 PolarHBondContact O-N 3.11Å; S586-A588 WeakPolarHBondContact OG-CB 3.49Å; S586-A588 PolarHBondContact OG-N 2.94Å |
| 589 | C | 81.1 | Confident | 79.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -73.4 | 138.5 | 178.4 | -171.4 | 0 | 0 | 0 | 0 | 110.6 | L396 L511 S586 P587 | L396-C589 HydrophobicContact CD1-CB 3.82Å; L511-C589 HydrophobicContact CD1-CB 3.9Å; L511-C589 VanDerWaalsContact CD1-O 3.31Å; L511-C589 WeakPolarHBondContact CD1-O 3.34Å; S586-C589 PolarHBondContact O-N 3.49Å; P587-C589 PolarHBondContact O-N 2.99Å |
| 590 | S | 82.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -79.5 | 147 | 172.7 | 42.8 | 0 | 0 | 0 | 0 | 111.3 | M379 F592 | M379-S590 VanDerWaalsContact O-CB 3.31Å; M379-S590 WeakPolarHBondContact O-CB 3.33Å; M379-S590 PolarHBondContact O-OG 2.99Å; S590-F592 WeakPolarHBondContact O-CD1 3.4Å; S590-F592 PolarHBondContact O-N 2.87Å |
| 591 | P | 85.1 | Confident | 78.3 | Confident | 8 Ų | 8 | 29.1 Ų | 29.1 | 5% | 0.052 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -72 | 130.3 | 169.9 | 32.2 | -31.4 | 0 | 0 | 0 | 108.5 | L511 G512 Y515 | L511-P591 HydrophobicContact CB-CB 4.13Å; G512-P591 WeakPolarHBondContact O-CB 3.17Å; Y515-P591 WeakPolarHBondContact O-CG 3.48Å |
| 592 | F | 85.7 | Confident | 78 | Confident | 10 Ų | 10 | 29.6 Ų | 29.6 | 4% | 0.044 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -68.1 | 144.8 | -172.7 | -62.1 | -3.9 | 0 | 0 | 0 | 112.4 | L378 M379 F400 I412 F414 Y498 T582 S590 | L378-F592 HydrophobicContact CB-CD2 4.41Å; L378-F592 WeakPolarHBondContact O-CA 3.42Å; L378-F592 VanDerWaalsContact O-CB 3.25Å; L378-F592 WeakPolarHBondContact O-CB 3.47Å; M379-F592 HydrophobicContact CG-CD1 4.49Å; M379-F592 HydrophobicContact CG-CE1 4.1Å; F400-F592 HydrophobicContact CE2-CE2 4.12Å; F400-F592 AromaticContact CE2-CZ 3.72Å; F400-F592 HydrophobicContact CE2-CZ 3.72Å; I412-F592 HydrophobicContact CG2-CE1 4.33Å; I412-F592 HydrophobicContact CG2-CZ 3.63Å; F414-F592 HydrophobicContact CB-CD2 3.96Å; F414-F592 HydrophobicContact CB-CE2 3.89Å; F414-F592 HydrophobicContact CD2-CB 4.13Å; F414-F592 AromaticContact CD2-CD2 3.52Å; F414-F592 HydrophobicContact CD2-CD2 3.52Å; F414-F592 HydrophobicContact CD2-CE2 4.29Å; F414-F592 HydrophobicContact CD2-CG 4.17Å; F414-F592 HydrophobicContact CE2-CB 4.1Å; F414-F592 HydrophobicContact CE2-CD2 4.24Å; F414-F592 AromaticContact CG-CD2 3.88Å; F414-F592 HydrophobicContact CG-CD2 3.88Å; F414-F592 HydrophobicContact CG-CE2 4.33Å; Y498-F592 HydrophobicContact CD2-CE2 4.27Å; Y498-F592 HydrophobicContact CE2-CE2 4.2Å; T582-F592 HydrophobicContact CG2-CD1 3.8Å; T582-F592 HydrophobicContact CG2-CE1 3.57Å; T582-F592 HydrophobicContact CG2-CE2 4.35Å; T582-F592 HydrophobicContact CG2-CG 4.25Å; T582-F592 HydrophobicContact CG2-CZ 3.85Å; T582-F592 WeakPolarHBondContact OG1-CG 3.32Å; T582-F592 PolarHBondContact OG1-N 3.42Å; S590-F592 WeakPolarHBondContact O-CD1 3.4Å; S590-F592 PolarHBondContact O-N 2.87Å |
| 593 | T | 76.2 | Confident | 77.8 | Confident | 15 Ų | 15 | 29.6 Ų | 29.6 | 9% | 0.092 | 16% | 0.163 | C | C | . | . | trans | -43.5 | 127.8 | 177 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | R108 K377 L378 S380 Y596 | R108-T593 PolarHBondContact NH1-O 3.33Å; R108-T593 PolarHBondContact NH2-O 3.05Å; K377-T593 PolarHBondContact O-OG1 2.74Å; L378-T593 PolarHBondContact O-N 2.86Å; L378-T593 VanDerWaalsContact O-N 3.12Å; S380-T593 PolarHBondContact O-OG1 3.15Å; T593-Y596 HydrophobicContact CG2-CE2 4.08Å | ||
| 594 | P | 72.4 | Confident | 77.7 | Confident | 72 Ų | 72 | 33 Ų | 33 | 47% | 0.468 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 156.1 | 177.9 | 25.2 | -34.4 | 0 | 0 | 0 | 111.7 | ||
| 595 | L | 70.1 | Confident | 77.8 | Confident | 17 Ų | 17 | 33 Ų | 33 | 9% | 0.089 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 133.8 | 176.5 | -85.1 | 161.7 | 0 | 0 | 0 | 110.7 | R108 T580 F597 | R108-L595 HydrophobicContact CB-CD2 4.18Å; T580-L595 HydrophobicContact CG2-CD1 4.45Å; L595-F597 HydrophobicContact CB-CD1 4.28Å; L595-F597 HydrophobicContact CB-CE1 3.63Å; L595-F597 HydrophobicContact CB-CZ 3.94Å; L595-F597 HydrophobicContact CD1-CE1 4.24Å |
| 596 | Y | 64.6 | Low | 78.1 | Confident | 178 Ų | 178 | 31.9 Ų | 31.9 | 70% | 0.698 | 17% | 0.167 | S | C | * | . | P | Polyproline II helix | trans | -84.2 | 122.9 | 166.1 | -69.8 | -86.8 | 0 | 0 | 0 | 108.6 | T593 | T593-Y596 HydrophobicContact CG2-CE2 4.08Š|
| 597 | F | 68.8 | Low | 78.6 | Confident | 72 Ų | 72 | 30.3 Ų | 30.3 | 32% | 0.316 | 16% | 0.156 | S | C | . | . | P | Polyproline II helix | trans | -100.2 | 129 | 175.6 | -54 | -51.7 | 0 | 0 | 0 | 109.8 | L595 P630 | L595-F597 HydrophobicContact CB-CD1 4.28Å; L595-F597 HydrophobicContact CB-CE1 3.63Å; L595-F597 HydrophobicContact CB-CZ 3.94Å; L595-F597 HydrophobicContact CD1-CE1 4.24Å; F597-P630 HydrophobicContact CE1-CB 4.2Å; F597-P630 HydrophobicContact CZ-CB 3.89Å |
| 598 | E | 60.1 | Low | 79.2 | Confident | 63 Ų | 63 | 35.1 Ų | 35.1 | 29% | 0.294 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -72.8 | -33 | 177.1 | -69 | -167.8 | 123.3 | 0 | 0 | 112.4 | R132 Q133 | R132-E598 IonicContact CZ-OE1 2.85Å; R132-E598 IonicContact NH1-OE1 3.74Å; R132-E598 PolarHBondContact NH1-OE1 3.1Å; Q133-E598 HydrophobicContact CG-CG 4.36Å; Q133-E598 WeakPolarHBondContact CG-OE2 3.38Å; Q133-E598 PolarHBondContact NE2-OE2 2.94Å |
| 599 | A | 66.6 | Low | 79.9 | Confident | 14 Ų | 14 | 35.7 Ų | 35.7 | 12% | 0.116 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -93.6 | 109.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | S100 A647 | S100-A599 VanDerWaalsContact OG-CB 3.3Å; S100-A599 WeakPolarHBondContact OG-CB 3.38Å; A599-A647 HydrophobicContact CB-CB 4.28Å |
| 600 | A | 68.2 | Low | 80.5 | Confident | 45 Ų | 45 | 41.2 Ų | 41.2 | 37% | 0.372 | 21% | 0.205 | S | C | . | . | trans | -71.4 | 136.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I602 | A600-I602 HydrophobicContact CB-CD1 4.31Å; A600-I602 HydrophobicContact CB-CG1 4.36Å; A600-I602 PolarHBondContact O-N 2.91Å | ||
| 601 | P | 77 | Confident | 81 | Confident | 32 Ų | 32 | 46.6 Ų | 46.6 | 21% | 0.208 | 23% | 0.23 | C | C | . | . | trans | -72.7 | 109.4 | 176.1 | 29.5 | -33.7 | 0 | 0 | 0 | 110.9 | V645 T646 | P601-V645 HydrophobicContact CB-CB 4.46Å; P601-V645 HydrophobicContact CB-CG1 3.87Å; P601-V645 WeakPolarHBondContact O-CG1 3.34Å; P601-T646 CarbonylContact C-O 3.5Å; P601-T646 WeakPolarHBondContact CA-O 3.5Å | ||
| 602 | I | 81.9 | Confident | 81.3 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 8% | 0.077 | 26% | 0.26 | C | S | . | . | trans | -119.7 | -33.8 | -172.8 | -68.8 | 164.5 | 0 | 0 | 0 | 112.1 | A600 R604 T646 V1015 F1039 | A600-I602 HydrophobicContact CB-CD1 4.31Å; A600-I602 HydrophobicContact CB-CG1 4.36Å; A600-I602 PolarHBondContact O-N 2.91Å; I602-R604 PolarHBondContact O-N 2.76Å; I602-T646 PolarHBondContact N-O 3.25Å; I602-V1015 HydrophobicContact CG2-CG1 4.36Å; I602-F1039 HydrophobicContact CD1-CB 3.6Å; I602-F1039 HydrophobicContact CD1-CD1 4.04Å; I602-F1039 HydrophobicContact CD1-CD2 3.37Å; I602-F1039 HydrophobicContact CD1-CE2 4.06Å; I602-F1039 HydrophobicContact CD1-CG 3.35Å | ||
| 603 | V | 85.6 | Confident | 81.8 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 118 | 179.9 | 177.5 | 0 | 0 | 0 | 0 | 108.3 | V645 T646 L652 F1019 | V603-V645 CarbonylContact O-C 3.55Å; V603-V645 VanDerWaalsContact O-CA 3.28Å; V603-V645 WeakPolarHBondContact O-CA 3.44Å; V603-T646 PolarHBondContact N-O 3.05Å; V603-T646 VanDerWaalsContact N-O 3.09Å; V603-T646 PolarHBondContact O-N 2.95Å; V603-L652 HydrophobicContact CG1-CB 4.44Å; V603-L652 HydrophobicContact CG1-CD2 3.92Å; V603-F1019 HydrophobicContact CB-CZ 4.42Å; V603-F1019 HydrophobicContact CG1-CE1 3.74Å; V603-F1019 HydrophobicContact CG1-CZ 3.88Å; V603-F1019 HydrophobicContact CG2-CE1 4.11Å; V603-F1019 HydrophobicContact CG2-CZ 3.9Å |
| 604 | R | 88.3 | Confident | 82.6 | Confident | 72 Ų | 72 | 57.6 Ų | 57.6 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 144 | 178.7 | -66.8 | 172 | -173.7 | -175.9 | -0.9 | 110.3 | I602 V643 L644 V645 P673 I674 | I602-R604 PolarHBondContact O-N 2.76Å; R604-V643 HydrophobicContact CB-CG1 3.84Å; R604-V643 HydrophobicContact CG-CG1 4.37Å; R604-L644 CarbonylContact C-O 3.56Å; R604-L644 WeakPolarHBondContact CA-O 3.44Å; R604-V645 HydrophobicContact CG-CB 4.42Å; R604-V645 HydrophobicContact CG-CG1 3.83Å; R604-V645 HydrophobicContact CG-CG2 4.15Å; R604-P673 CarbonylContact O-C 3.5Å; R604-I674 HydrophobicContact CB-CB 3.86Å; R604-I674 HydrophobicContact CB-CG2 4.1Å; R604-I674 WeakPolarHBondContact CB-O 3.14Å; R604-I674 PolarHBondContact N-O 2.72Å; R604-I674 VanDerWaalsContact N-O 3.14Å; R604-I674 WeakPolarHBondContact O-CA 3.21Å; R604-I674 WeakPolarHBondContact O-CB 3.41Å; R604-I674 PolarHBondContact O-N 2.72Å |
| 605 | V | 90.6 | Very high | 83.6 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 129 | 176.5 | 169 | 0 | 0 | 0 | 0 | 109.3 | V607 V643 L644 L652 V670 | V605-V607 HydrophobicContact CG1-CG2 4.14Å; V605-V643 CarbonylContact O-C 3.59Å; V605-V643 VanDerWaalsContact O-CA 3.32Å; V605-V643 WeakPolarHBondContact O-CA 3.47Å; V605-L644 PolarHBondContact N-O 3.46Å; V605-L644 PolarHBondContact O-N 3.04Å; V605-L652 HydrophobicContact CB-CD1 4Å; V605-L652 HydrophobicContact CG2-CD1 3.66Å; V605-L652 HydrophobicContact CG2-CD2 3.62Å; V605-L652 HydrophobicContact CG2-CG 4.28Å; V605-V670 HydrophobicContact CG1-CG1 3.37Å |
| 606 | A | 91.3 | Very high | 84.7 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 7% | 0.066 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 133.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | E641 H642 V643 S671 I674 | A606-E641 HydrophobicContact CB-CB 4.36Å; A606-E641 HydrophobicContact CB-CG 4.44Å; A606-E641 WeakPolarHBondContact CB-OE2 3.39Å; A606-H642 WeakPolarHBondContact CA-O 3.29Å; A606-V643 HydrophobicContact CB-CG2 3.94Å; A606-S671 PolarHBondContact N-OG 2.89Å; A606-S671 PolarHBondContact O-N 3.38Å; A606-I674 HydrophobicContact CB-CD1 4.06Å |
| 607 | V | 93.5 | Very high | 86.1 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126 | -175.8 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | V605 L618 M622 H642 L644 L656 I668 | V605-V607 HydrophobicContact CG1-CG2 4.14Å; V607-L618 HydrophobicContact CG1-CD1 4Å; V607-L618 HydrophobicContact CG1-CD2 4.26Å; V607-M622 HydrophobicContact CB-CE 4.41Å; V607-H642 PolarHBondContact N-O 2.91Å; V607-L644 HydrophobicContact CG2-CB 4.21Å; V607-L656 HydrophobicContact CG2-CD2 3.93Å; V607-I668 HydrophobicContact CG1-CB 3.89Å; V607-I668 HydrophobicContact CG1-CD1 3.91Å; V607-I668 HydrophobicContact CG1-CG1 4.39Å; V607-I668 HydrophobicContact CG1-CG2 3.99Å |
| 608 | E | 92.3 | Very high | 87.2 | Confident | 108 Ų | 108 | 53.7 Ų | 53.7 | 51% | 0.505 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146 | -178.8 | -62.1 | -178.5 | 141.4 | 0 | 0 | 109.3 | I668 S669 | E608-I668 CarbonylContact O-C 3.58Å; E608-I668 WeakPolarHBondContact O-CA 3.49Å; E608-S669 PolarHBondContact N-O 3.25Å; E608-S669 VanDerWaalsContact N-O 3.08Å; E608-S669 PolarHBondContact O-N 3.22Å |
| 609 | P | 95.3 | Very high | 88.8 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 10% | 0.097 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 143.2 | 171.5 | 34.6 | -34.5 | 0 | 0 | 0 | 109.2 | H611 E614 M615 I666 | P609-H611 WeakPolarHBondContact CB-O 3.31Å; P609-H611 WeakPolarHBondContact CG-O 3.37Å; P609-H611 PolarHBondContact O-N 3.34Å; P609-H611 VanDerWaalsContact O-N 3.16Å; P609-E614 HydrophobicContact CB-CB 4.36Å; P609-M615 WeakPolarHBondContact CD-SD 3.46Å; P609-M615 HydrophobicContact CG-CB 4.4Å; P609-M615 HydrophobicContact CG-SD 3.73Å; P609-I666 HydrophobicContact CB-CD1 4.09Å |
| 610 | K | 93.7 | Very high | 89.9 | Confident | 116 Ų | 116 | 56.3 Ų | 56.3 | 50% | 0.504 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -61.6 | -22.2 | 171.8 | -70.9 | -172.1 | -165.9 | 172.1 | 0 | 112.8 | E667 | K610-E667 HydrophobicContact CB-CB 4.44Å; K610-E667 HydrophobicContact CD-CB 3.72Å; K610-E667 VanDerWaalsContact CD-OE2 3.3Å; K610-E667 WeakPolarHBondContact CD-OE2 3.31Å; K610-E667 WeakPolarHBondContact CE-OE2 3.48Å; K610-E667 HydrophobicContact CG-CB 4.13Å; K610-E667 WeakPolarHBondContact CG-O 3.27Å; K610-E667 PolarHBondContact N-O 3.31Å; K610-E667 IonicContact NZ-OE2 3.51Å; K610-E667 PolarHBondContact NZ-OE2 2.92Å |
| 611 | H | 93.5 | Very high | 91.1 | Very high | 114 Ų | 114 | 54.1 Ų | 54.1 | 53% | 0.528 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -121.1 | 116.5 | 176.5 | -61.8 | -48 | 0 | 0 | 0 | 110 | P609 S613 E614 | P609-H611 WeakPolarHBondContact CB-O 3.31Å; P609-H611 WeakPolarHBondContact CG-O 3.37Å; P609-H611 PolarHBondContact O-N 3.34Å; P609-H611 VanDerWaalsContact O-N 3.16Å; H611-S613 PolarHBondContact O-N 3.29Å; H611-S613 VanDerWaalsContact O-N 3.14Å; H611-E614 HydrophobicContact CB-CG 4.22Å; H611-E614 PolarHBondContact O-N 2.75Å |
| 612 | P | 92.6 | Very high | 91.8 | Very high | 107 Ų | 107 | 52.7 Ų | 52.7 | 70% | 0.695 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -63.9 | -24.4 | -173.5 | 24.8 | -34.3 | 0 | 0 | 0 | 113.3 | E614 M615 | P612-E614 PolarHBondContact O-N 2.86Å; P612-E614 VanDerWaalsContact O-N 3.14Å; P612-M615 WeakPolarHBondContact O-CB 3.3Å; P612-M615 PolarHBondContact O-N 2.89Å; P612-M615 VanDerWaalsContact O-N 3.16Å |
| 613 | S | 94.4 | Very high | 92.2 | Very high | 112 Ų | 112 | 57.5 Ų | 57.5 | 78% | 0.783 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -59.3 | -20.6 | 172.3 | -47.3 | 0 | 0 | 0 | 0 | 113.7 | H611 | H611-S613 PolarHBondContact O-N 3.29Å; H611-S613 VanDerWaalsContact O-N 3.14Å |
| 614 | E | 94.4 | Very high | 92.4 | Very high | 44 Ų | 44 | 59.2 Ų | 59.2 | 21% | 0.206 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -95.7 | 4.5 | -178.8 | -56 | -157.8 | 108.4 | 0 | 0 | 113.7 | P609 H611 P612 P616 K617 L618 I666 | P609-E614 HydrophobicContact CB-CB 4.36Å; H611-E614 HydrophobicContact CB-CG 4.22Å; H611-E614 PolarHBondContact O-N 2.75Å; P612-E614 PolarHBondContact O-N 2.86Å; P612-E614 VanDerWaalsContact O-N 3.14Å; E614-P616 VanDerWaalsContact C-N 3.3Å; E614-K617 HydrophobicContact CB-CD 4.31Å; E614-K617 HydrophobicContact CG-CD 4.49Å; E614-K617 WeakPolarHBondContact O-CA 3.3Å; E614-K617 WeakPolarHBondContact O-CB 3.07Å; E614-K617 PolarHBondContact O-N 3.33Å; E614-K617 WeakPolarHBondContact OE1-CE 2.87Å; E614-K617 IonicContact OE1-NZ 3.32Å; E614-K617 PolarHBondContact OE1-NZ 3.47Å; E614-L618 PolarHBondContact O-N 3.27Å; E614-L618 VanDerWaalsContact O-N 3.13Å; E614-I666 HydrophobicContact CB-CD1 4.47Å; E614-I666 HydrophobicContact CB-CG2 4.12Å; E614-I666 HydrophobicContact CG-CG2 4.47Å; E614-I666 WeakPolarHBondContact OE2-CG2 3.27Å |
| 615 | M | 92.2 | Very high | 92.5 | Very high | 62 Ų | 62 | 55.9 Ų | 55.9 | 31% | 0.305 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -50.4 | -39.9 | 176.9 | -160.2 | 68 | 171.9 | 0 | 0 | 113.9 | P609 P612 K617 L618 V619 H642 | P609-M615 WeakPolarHBondContact CD-SD 3.46Å; P609-M615 HydrophobicContact CG-CB 4.4Å; P609-M615 HydrophobicContact CG-SD 3.73Å; P612-M615 WeakPolarHBondContact O-CB 3.3Å; P612-M615 PolarHBondContact O-N 2.89Å; P612-M615 VanDerWaalsContact O-N 3.16Å; M615-K617 VanDerWaalsContact C-N 3.32Å; M615-K617 PolarHBondContact O-N 2.82Å; M615-L618 PolarHBondContact O-N 2.73Å; M615-L618 HydrophobicContact SD-CD2 4.27Å; M615-V619 WeakPolarHBondContact O-CG2 3.41Å; M615-V619 PolarHBondContact O-N 2.83Å; M615-H642 WeakPolarHBondContact CE-CD2 3.48Å |
| 616 | P | 93.8 | Very high | 92.5 | Very high | 95 Ų | 95 | 57.5 Ų | 57.5 | 62% | 0.617 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.7 | -34 | 175.3 | -22.6 | 35.2 | 0 | 0 | 0 | 113.7 | E614 S620 | E614-P616 VanDerWaalsContact C-N 3.3Å; P616-S620 WeakPolarHBondContact O-CB 2.99Å; P616-S620 PolarHBondContact O-N 2.92Å |
| 617 | K | 93.3 | Very high | 92.3 | Very high | 100 Ų | 100 | 57.4 Ų | 57.4 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 174 | -62.8 | -179.3 | 177.7 | 178.3 | 0 | 110.9 | E614 M615 S620 G621 I666 | E614-K617 HydrophobicContact CB-CD 4.31Å; E614-K617 HydrophobicContact CG-CD 4.49Å; E614-K617 WeakPolarHBondContact O-CA 3.3Å; E614-K617 WeakPolarHBondContact O-CB 3.07Å; E614-K617 PolarHBondContact O-N 3.33Å; E614-K617 WeakPolarHBondContact OE1-CE 2.87Å; E614-K617 IonicContact OE1-NZ 3.32Å; E614-K617 PolarHBondContact OE1-NZ 3.47Å; M615-K617 VanDerWaalsContact C-N 3.32Å; M615-K617 PolarHBondContact O-N 2.82Å; K617-S620 PolarHBondContact O-N 3.47Å; K617-G621 PolarHBondContact O-N 3.12Å; K617-I666 HydrophobicContact CB-CD1 4.47Å; K617-I666 HydrophobicContact CB-CG2 4.09Å; K617-I666 HydrophobicContact CD-CG2 3.51Å; K617-I666 HydrophobicContact CG-CG2 4.49Å |
| 618 | L | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 175.8 | -178.4 | 58.9 | 0 | 0 | 0 | 110.9 | V607 E614 M615 S620 G621 M622 I666 I668 | V607-L618 HydrophobicContact CG1-CD1 4Å; V607-L618 HydrophobicContact CG1-CD2 4.26Å; E614-L618 PolarHBondContact O-N 3.27Å; E614-L618 VanDerWaalsContact O-N 3.13Å; M615-L618 PolarHBondContact O-N 2.73Å; M615-L618 HydrophobicContact SD-CD2 4.27Å; L618-S620 VanDerWaalsContact C-N 3.32Å; L618-S620 PolarHBondContact O-N 3.46Å; L618-G621 PolarHBondContact O-N 2.94Å; L618-M622 HydrophobicContact CD1-CG 3.95Å; L618-M622 HydrophobicContact CD1-SD 4.03Å; L618-M622 HydrophobicContact CD2-SD 4.43Å; L618-M622 HydrophobicContact CG-CG 4.27Å; L618-M622 HydrophobicContact CG-SD 3.91Å; L618-M622 WeakPolarHBondContact O-CB 3.05Å; L618-M622 VanDerWaalsContact O-CG 3.28Å; L618-M622 WeakPolarHBondContact O-CG 3.14Å; L618-M622 PolarHBondContact O-N 3.45Å; L618-I666 HydrophobicContact CB-CD1 3.79Å; L618-I666 HydrophobicContact CD1-CD1 4.36Å; L618-I668 HydrophobicContact CD1-CG2 3.98Å |
| 619 | V | 92.8 | Very high | 91.8 | Very high | 66 Ų | 66 | 52.7 Ų | 52.7 | 40% | 0.4 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 179.7 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | M615 M622 R623 | M615-V619 WeakPolarHBondContact O-CG2 3.41Å; M615-V619 PolarHBondContact O-N 2.83Å; V619-M622 PolarHBondContact O-N 2.66Å; V619-R623 PolarHBondContact O-N 3.07Å |
| 620 | S | 90.6 | Very high | 91.2 | Very high | 66 Ų | 66 | 52.4 Ų | 52.4 | 46% | 0.462 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -50.7 | 173.9 | -166.2 | 0 | 0 | 0 | 0 | 111.7 | P616 K617 L618 M622 R623 L624 | P616-S620 WeakPolarHBondContact O-CB 2.99Å; P616-S620 PolarHBondContact O-N 2.92Å; K617-S620 PolarHBondContact O-N 3.47Å; L618-S620 VanDerWaalsContact C-N 3.32Å; L618-S620 PolarHBondContact O-N 3.46Å; S620-M622 VanDerWaalsContact C-N 3.29Å; S620-M622 PolarHBondContact O-N 2.99Å; S620-R623 WeakPolarHBondContact O-CB 3.46Å; S620-R623 PolarHBondContact O-N 3.47Å; S620-R623 VanDerWaalsContact O-N 3.12Å; S620-L624 WeakPolarHBondContact O-CG 3.32Å; S620-L624 PolarHBondContact O-N 3.2Å |
| 621 | G | 91.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -31.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K617 L618 L624 L625 L659 | K617-G621 PolarHBondContact O-N 3.12Å; L618-G621 PolarHBondContact O-N 2.94Å; G621-L624 PolarHBondContact O-N 3.3Å; G621-L625 WeakPolarHBondContact O-CB 3.48Å; G621-L625 PolarHBondContact O-N 2.81Å; G621-L659 VanDerWaalsContact C-CD2 3.48Å; G621-L659 WeakPolarHBondContact O-CD2 3.38Å |
| 622 | M | 92.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.7 | -38.7 | 172.4 | -73.3 | -177.3 | 102.2 | 0 | 0 | 112.2 | V607 L618 V619 S620 L624 L625 N626 V634 H642 L644 L659 | V607-M622 HydrophobicContact CB-CE 4.41Å; L618-M622 HydrophobicContact CD1-CG 3.95Å; L618-M622 HydrophobicContact CD1-SD 4.03Å; L618-M622 HydrophobicContact CD2-SD 4.43Å; L618-M622 HydrophobicContact CG-CG 4.27Å; L618-M622 HydrophobicContact CG-SD 3.91Å; L618-M622 WeakPolarHBondContact O-CB 3.05Å; L618-M622 VanDerWaalsContact O-CG 3.28Å; L618-M622 WeakPolarHBondContact O-CG 3.14Å; L618-M622 PolarHBondContact O-N 3.45Å; V619-M622 PolarHBondContact O-N 2.66Å; S620-M622 VanDerWaalsContact C-N 3.29Å; S620-M622 PolarHBondContact O-N 2.99Å; M622-L624 VanDerWaalsContact C-N 3.33Å; M622-L625 PolarHBondContact O-N 3.03Å; M622-N626 WeakPolarHBondContact O-CB 3.21Å; M622-N626 PolarHBondContact O-N 3.01Å; M622-V634 HydrophobicContact CB-CG1 4.06Å; M622-V634 HydrophobicContact CB-CG2 3.92Å; M622-V634 HydrophobicContact CE-CG1 4.01Å; M622-V634 HydrophobicContact CE-CG2 4.29Å; M622-V634 HydrophobicContact SD-CG1 4.29Å; M622-H642 HydrophobicContact CE-CB 4.33Å; M622-H642 HydrophobicContact SD-CB 4.07Å; M622-L644 HydrophobicContact CE-CB 4.24Å; M622-L659 HydrophobicContact CG-CD1 4.39Å; M622-L659 HydrophobicContact CG-CD2 4.05Å |
| 623 | R | 90.3 | Very high | 90.4 | Very high | 116 Ų | 116 | 40.4 Ų | 40.4 | 44% | 0.438 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.5 | -45.5 | 170.7 | 178.3 | -179.3 | 172.2 | -158.2 | -6.7 | 110.9 | D575 V619 S620 N626 Q627 | D575-R623 IonicContact OD1-CZ 2.65Å; D575-R623 IonicContact OD1-NH1 3.48Å; D575-R623 PolarHBondContact OD1-NH1 3.5Å; D575-R623 IonicContact OD1-NH2 3.85Å; D575-R623 PolarHBondContact OD1-NH2 2.68Å; V619-R623 PolarHBondContact O-N 3.07Å; S620-R623 WeakPolarHBondContact O-CB 3.46Å; S620-R623 PolarHBondContact O-N 3.47Å; S620-R623 VanDerWaalsContact O-N 3.12Å; R623-N626 PolarHBondContact O-N 3.3Å; R623-Q627 WeakPolarHBondContact O-CG 3.47Å; R623-Q627 PolarHBondContact O-N 3.43Å; R623-Q627 VanDerWaalsContact O-N 3.12Å |
| 624 | L | 89.4 | Confident | 90.2 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 21% | 0.209 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.5 | -41.6 | 177.8 | -67 | -175.6 | 0 | 0 | 0 | 112.7 | F491 S620 G621 M622 Q627 A628 F663 | F491-L624 HydrophobicContact CD2-CD2 4.49Å; F491-L624 HydrophobicContact CE2-CD1 4.22Å; F491-L624 HydrophobicContact CE2-CD2 3.76Å; F491-L624 HydrophobicContact CE2-CG 4.37Å; F491-L624 HydrophobicContact CZ-CB 3.82Å; F491-L624 HydrophobicContact CZ-CD1 4.28Å; F491-L624 HydrophobicContact CZ-CD2 3.8Å; F491-L624 HydrophobicContact CZ-CG 4.16Å; S620-L624 WeakPolarHBondContact O-CG 3.32Å; S620-L624 PolarHBondContact O-N 3.2Å; G621-L624 PolarHBondContact O-N 3.3Å; M622-L624 VanDerWaalsContact C-N 3.33Å; L624-Q627 WeakPolarHBondContact O-CB 3.49Å; L624-Q627 PolarHBondContact O-N 3.04Å; L624-A628 WeakPolarHBondContact O-CB 3.41Å; L624-A628 PolarHBondContact O-N 2.81Å; L624-F663 HydrophobicContact CB-CB 4.3Å; L624-F663 HydrophobicContact CB-CD1 4.03Å; L624-F663 HydrophobicContact CB-CG 4.17Å |
| 625 | L | 91.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 173.4 | 176 | 68.2 | 0 | 0 | 0 | 111.6 | G621 M622 Q627 A628 D629 A632 L644 C655 D658 L659 F663 | G621-L625 WeakPolarHBondContact O-CB 3.48Å; G621-L625 PolarHBondContact O-N 2.81Å; M622-L625 PolarHBondContact O-N 3.03Å; L625-Q627 PolarHBondContact O-N 2.83Å; L625-A628 PolarHBondContact O-N 3.47Å; L625-A628 VanDerWaalsContact O-N 3.09Å; L625-D629 PolarHBondContact O-N 2.87Å; L625-A632 HydrophobicContact CD2-CB 4.43Å; L625-A632 HydrophobicContact CG-CB 4.21Å; L625-L644 HydrophobicContact CD2-CD1 3.68Å; L625-L644 HydrophobicContact CD2-CD2 4.3Å; L625-C655 HydrophobicContact CD1-CB 4.19Å; L625-C655 HydrophobicContact CD2-CB 3.9Å; L625-D658 HydrophobicContact CD1-CB 4.46Å; L625-L659 HydrophobicContact CB-CD2 4.16Å; L625-L659 HydrophobicContact CD2-CD1 3.87Å; L625-L659 HydrophobicContact CD2-CD2 4.24Å; L625-L659 HydrophobicContact CD2-CG 3.92Å; L625-F663 HydrophobicContact CB-CD2 3.92Å; L625-F663 HydrophobicContact CB-CE2 4.06Å; L625-F663 HydrophobicContact CD1-CD2 4.23Å; L625-F663 HydrophobicContact CD1-CE2 3.78Å |
| 626 | N | 90.2 | Very high | 89.8 | Confident | 36 Ų | 36 | 41 Ų | 41 | 19% | 0.193 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.9 | -21.3 | 178 | 179.3 | 92.4 | 0 | 0 | 0 | 112.9 | K579 M622 R623 A632 V634 | K579-N626 VanDerWaalsContact CE-O 3.23Å; K579-N626 WeakPolarHBondContact CE-O 3.46Å; K579-N626 WeakPolarHBondContact CE-OD1 3.37Å; K579-N626 WeakPolarHBondContact CG-O 3.34Å; M622-N626 WeakPolarHBondContact O-CB 3.21Å; M622-N626 PolarHBondContact O-N 3.01Å; R623-N626 PolarHBondContact O-N 3.3Å; N626-A632 PolarHBondContact OD1-O 2.77Å; N626-V634 HydrophobicContact CB-CG2 4.05Å |
| 627 | Q | 87.3 | Confident | 89.2 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 2% | 0.023 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -85.3 | -33.4 | 171.1 | -77.3 | 174 | -44.1 | 0 | 0 | 113.1 | M418 E574 V577 L578 R623 L624 L625 | M418-Q627 HydrophobicContact CE-CB 3.78Å; M418-Q627 HydrophobicContact CE-CG 3.78Å; E574-Q627 PolarHBondContact O-NE2 2.75Å; V577-Q627 PolarHBondContact O-NE2 3.16Å; L578-Q627 WeakPolarHBondContact O-CG 3.36Å; R623-Q627 WeakPolarHBondContact O-CG 3.47Å; R623-Q627 PolarHBondContact O-N 3.43Å; R623-Q627 VanDerWaalsContact O-N 3.12Å; L624-Q627 WeakPolarHBondContact O-CB 3.49Å; L624-Q627 PolarHBondContact O-N 3.04Å; L625-Q627 PolarHBondContact O-N 2.83Å |
| 628 | A | 87.3 | Confident | 88.2 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 5% | 0.05 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -77.7 | -25.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | M418 F491 L624 L625 F663 | M418-A628 WeakPolarHBondContact O-CA 3.45Å; F491-A628 HydrophobicContact CE1-CB 4.18Å; L624-A628 WeakPolarHBondContact O-CB 3.41Å; L624-A628 PolarHBondContact O-N 2.81Å; L625-A628 PolarHBondContact O-N 3.47Å; L625-A628 VanDerWaalsContact O-N 3.09Å; A628-F663 HydrophobicContact CB-CE1 4.44Å; A628-F663 HydrophobicContact CB-CE2 4.21Å; A628-F663 HydrophobicContact CB-CZ 3.62Å |
| 629 | D | 87.9 | Confident | 87.3 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.027 | 24% | 0.241 | C | C | . | . | trans | -126 | 123.6 | -171.4 | -168 | -56.8 | 0 | 0 | 0 | 111.7 | L625 C631 A632 H651 R654 | L625-D629 PolarHBondContact O-N 2.87Å; D629-C631 PolarHBondContact O-N 3.48Å; D629-C631 PolarHBondContact OD1-N 2.65Å; D629-A632 HydrophobicContact CB-CB 3.72Å; D629-A632 PolarHBondContact OD1-N 2.9Å; D629-H651 IonicContact OD1-CE1 3.47Å; D629-H651 IonicContact OD1-NE2 3.37Å; D629-H651 PolarHBondContact OD1-NE2 2.8Å; D629-H651 IonicContact OD2-CD2 3.09Å; D629-H651 IonicContact OD2-CE1 2.78Å; D629-H651 IonicContact OD2-NE2 2.72Å; D629-H651 PolarHBondContact OD2-NE2 3.34Å; D629-H651 VanDerWaalsContact OD2-NE2 3.07Å; D629-R654 IonicContact OD2-CZ 3.38Å; D629-R654 IonicContact OD2-NE 3.71Å; D629-R654 IonicContact OD2-NH2 3.48Å; D629-R654 PolarHBondContact OD2-NH2 2.89Å | ||
| 630 | P | 83.5 | Confident | 86.8 | Confident | 8 Ų | 8 | 45.5 Ų | 45.5 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -68.9 | -30.6 | -178.5 | 27.1 | -33.6 | 0 | 0 | 0 | 113.6 | E102 K579 F597 | E102-P630 HydrophobicContact CG-CG 4.12Å; K579-P630 PolarHBondContact NZ-O 3Å; F597-P630 HydrophobicContact CE1-CB 4.2Å; F597-P630 HydrophobicContact CZ-CB 3.89Å |
| 631 | C | 84.5 | Confident | 86.6 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -96.8 | -20.5 | -178 | -101.1 | 0 | 0 | 0 | 0 | 114.6 | S101 D629 E633 | S101-C631 WeakPolarHBondContact CB-SG 3.34Å; S101-C631 WeakPolarHBondContact OG-CB 3.45Å; S101-C631 PolarHBondContact OG-SG 3.29Å; D629-C631 PolarHBondContact O-N 3.48Å; D629-C631 PolarHBondContact OD1-N 2.65Å; C631-E633 PolarHBondContact O-N 3.17Å |
| 632 | A | 88.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -64.5 | 125.1 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | K579 L625 N626 D629 L644 V645 | K579-A632 VanDerWaalsContact CE-O 3.31Å; K579-A632 WeakPolarHBondContact CE-O 3.16Å; K579-A632 PolarHBondContact NZ-O 3.34Å; L625-A632 HydrophobicContact CD2-CB 4.43Å; L625-A632 HydrophobicContact CG-CB 4.21Å; N626-A632 PolarHBondContact OD1-O 2.77Å; D629-A632 HydrophobicContact CB-CB 3.72Å; D629-A632 PolarHBondContact OD1-N 2.9Å; A632-L644 HydrophobicContact CB-CD1 4.19Å; A632-V645 WeakPolarHBondContact CA-O 3.41Å | ||
| 633 | E | 88.9 | Confident | 86.5 | Confident | 83 Ų | 83 | 45.6 Ų | 45.6 | 39% | 0.388 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 143.4 | 170.3 | -56.9 | -162 | 140.9 | 0 | 0 | 110.5 | C631 L644 V645 | C631-E633 PolarHBondContact O-N 3.17Å; E633-L644 CarbonylContact O-C 3.49Å; E633-L644 WeakPolarHBondContact O-CA 3.38Å; E633-V645 HydrophobicContact CB-CB 4.08Å; E633-V645 HydrophobicContact CB-CG2 4.07Å; E633-V645 PolarHBondContact N-O 2.9Å; E633-V645 PolarHBondContact O-N 2.94Å |
| 634 | V | 90.5 | Very high | 86.6 | Confident | 44 Ų | 44 | 40 Ų | 40 | 27% | 0.267 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 114.4 | 177.3 | 176.3 | 0 | 0 | 0 | 0 | 108.3 | M622 N626 | M622-V634 HydrophobicContact CB-CG1 4.06Å; M622-V634 HydrophobicContact CB-CG2 3.92Å; M622-V634 HydrophobicContact CE-CG1 4.01Å; M622-V634 HydrophobicContact CE-CG2 4.29Å; M622-V634 HydrophobicContact SD-CG1 4.29Å; N626-V634 HydrophobicContact CB-CG2 4.05Å |
| 635 | L | 88.8 | Confident | 86.6 | Confident | 71 Ų | 71 | 38.2 Ų | 38.2 | 37% | 0.372 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 141.9 | 179.6 | -58.6 | 179.3 | 0 | 0 | 0 | 109.5 | V643 V645 | L635-V643 PolarHBondContact N-O 3.5Å; L635-V643 PolarHBondContact O-N 3.18Å; L635-V645 HydrophobicContact CD1-CG2 3.66Å; L635-V645 HydrophobicContact CG-CG2 3.98Å |
| 636 | I | 88.9 | Confident | 86.5 | Confident | 116 Ų | 116 | 38.2 Ų | 38.2 | 60% | 0.595 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 124.3 | 165.9 | -56.3 | 176.1 | 0 | 0 | 0 | 106.2 | E641 | I636-E641 WeakPolarHBondContact CA-O 3.48Å |
| 637 | Q | 80.8 | Confident | 86.2 | Confident | 42 Ų | 42 | 37.1 Ų | 37.1 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | trans | -77.6 | 163.8 | 174.7 | -72.5 | -167.3 | 40.3 | 0 | 0 | 111.2 | T639 G640 E641 V643 | Q637-T639 PolarHBondContact O-N 3.26Å; Q637-T639 VanDerWaalsContact O-N 3.14Å; Q637-G640 PolarHBondContact O-N 3.09Å; Q637-E641 HydrophobicContact CB-CB 4.41Å; Q637-E641 PolarHBondContact N-O 2.98Å; Q637-V643 HydrophobicContact CG-CB 4.49Å; Q637-V643 HydrophobicContact CG-CG2 3.9Å; Q637-V643 VanDerWaalsContact NE2-CG2 3.28Å | ||
| 638 | E | 74.1 | Confident | 86 | Confident | 197 Ų | 197 | 37.2 Ų | 37.2 | 92% | 0.921 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.5 | 175.9 | -63.9 | 174.3 | -164.5 | 0 | 0 | 112.4 | G640 | E638-G640 VanDerWaalsContact C-N 3.29Š|
| 639 | T | 74.5 | Confident | 85.8 | Confident | 72 Ų | 72 | 40.7 Ų | 40.7 | 44% | 0.442 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -10.2 | 169.8 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | Q637 E641 | Q637-T639 PolarHBondContact O-N 3.26Å; Q637-T639 VanDerWaalsContact O-N 3.14Å; T639-E641 VanDerWaalsContact C-N 3.33Å; T639-E641 WeakPolarHBondContact OG1-CG 3.15Å; T639-E641 PolarHBondContact OG1-N 3.47Å; T639-E641 PolarHBondContact OG1-OE1 3.45Å |
| 640 | G | 80.8 | Confident | 85.6 | Confident | 45 Ų | 45 | 42.2 Ų | 42.2 | 46% | 0.464 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 85.4 | -4.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q637 E638 H642 | Q637-G640 PolarHBondContact O-N 3.09Å; E638-G640 VanDerWaalsContact C-N 3.29Å; G640-H642 PolarHBondContact O-N 3.33Å |
| 641 | E | 86.5 | Confident | 85.8 | Confident | 40 Ų | 40 | 41.9 Ų | 41.9 | 19% | 0.187 | 23% | 0.227 | C | C | . | . | trans | -62.6 | 131.9 | 175.8 | -75.2 | 165.4 | -122.1 | 0 | 0 | 111.8 | A606 I636 Q637 T639 V643 | A606-E641 HydrophobicContact CB-CB 4.36Å; A606-E641 HydrophobicContact CB-CG 4.44Å; A606-E641 WeakPolarHBondContact CB-OE2 3.39Å; I636-E641 WeakPolarHBondContact CA-O 3.48Å; Q637-E641 HydrophobicContact CB-CB 4.41Å; Q637-E641 PolarHBondContact N-O 2.98Å; T639-E641 VanDerWaalsContact C-N 3.33Å; T639-E641 WeakPolarHBondContact OG1-CG 3.15Å; T639-E641 PolarHBondContact OG1-N 3.47Å; T639-E641 PolarHBondContact OG1-OE1 3.45Å; E641-V643 HydrophobicContact CB-CG2 3.97Å | ||
| 642 | H | 90.4 | Very high | 86 | Confident | 27 Ų | 27 | 42.5 Ų | 42.5 | 13% | 0.125 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 115.2 | 170.1 | -76.5 | -105.1 | 0 | 0 | 0 | 109.7 | A606 V607 M615 M622 G640 | A606-H642 WeakPolarHBondContact CA-O 3.29Å; V607-H642 PolarHBondContact N-O 2.91Å; M615-H642 WeakPolarHBondContact CE-CD2 3.48Å; M622-H642 HydrophobicContact CE-CB 4.33Å; M622-H642 HydrophobicContact SD-CB 4.07Å; G640-H642 PolarHBondContact O-N 3.33Å |
| 643 | V | 91.4 | Very high | 86 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120.4 | -170.3 | 178 | 0 | 0 | 0 | 0 | 111.1 | R604 V605 A606 L635 Q637 E641 | R604-V643 HydrophobicContact CB-CG1 3.84Å; R604-V643 HydrophobicContact CG-CG1 4.37Å; V605-V643 CarbonylContact O-C 3.59Å; V605-V643 VanDerWaalsContact O-CA 3.32Å; V605-V643 WeakPolarHBondContact O-CA 3.47Å; A606-V643 HydrophobicContact CB-CG2 3.94Å; L635-V643 PolarHBondContact N-O 3.5Å; L635-V643 PolarHBondContact O-N 3.18Å; Q637-V643 HydrophobicContact CG-CB 4.49Å; Q637-V643 HydrophobicContact CG-CG2 3.9Å; Q637-V643 VanDerWaalsContact NE2-CG2 3.28Å; E641-V643 HydrophobicContact CB-CG2 3.97Å |
| 644 | L | 92.1 | Very high | 86 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 135.5 | 171.2 | 177.5 | 64.1 | 0 | 0 | 0 | 109.3 | R604 V605 V607 M622 L625 A632 E633 T646 L652 C655 L656 | R604-L644 CarbonylContact C-O 3.56Å; R604-L644 WeakPolarHBondContact CA-O 3.44Å; V605-L644 PolarHBondContact N-O 3.46Å; V605-L644 PolarHBondContact O-N 3.04Å; V607-L644 HydrophobicContact CG2-CB 4.21Å; M622-L644 HydrophobicContact CE-CB 4.24Å; L625-L644 HydrophobicContact CD2-CD1 3.68Å; L625-L644 HydrophobicContact CD2-CD2 4.3Å; A632-L644 HydrophobicContact CB-CD1 4.19Å; E633-L644 CarbonylContact O-C 3.49Å; E633-L644 WeakPolarHBondContact O-CA 3.38Å; L644-T646 HydrophobicContact CD1-CG2 4.41Å; L644-T646 HydrophobicContact CD2-CG2 4.28Å; L644-T646 HydrophobicContact CG-CG2 4.1Å; L644-L652 HydrophobicContact CD2-CD1 4.23Å; L644-C655 HydrophobicContact CD2-CB 3.72Å; L644-L656 HydrophobicContact CD2-CD2 4.4Å |
| 645 | V | 90.6 | Very high | 86.1 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.012 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 134.3 | 172 | -156.7 | 0 | 0 | 0 | 0 | 109.6 | P601 V603 R604 A632 E633 L635 | P601-V645 HydrophobicContact CB-CB 4.46Å; P601-V645 HydrophobicContact CB-CG1 3.87Å; P601-V645 WeakPolarHBondContact O-CG1 3.34Å; V603-V645 CarbonylContact O-C 3.55Å; V603-V645 VanDerWaalsContact O-CA 3.28Å; V603-V645 WeakPolarHBondContact O-CA 3.44Å; R604-V645 HydrophobicContact CG-CB 4.42Å; R604-V645 HydrophobicContact CG-CG1 3.83Å; R604-V645 HydrophobicContact CG-CG2 4.15Å; A632-V645 WeakPolarHBondContact CA-O 3.41Å; E633-V645 HydrophobicContact CB-CB 4.08Å; E633-V645 HydrophobicContact CB-CG2 4.07Å; E633-V645 PolarHBondContact N-O 2.9Å; E633-V645 PolarHBondContact O-N 2.94Å; L635-V645 HydrophobicContact CD1-CG2 3.66Å; L635-V645 HydrophobicContact CG-CG2 3.98Å |
| 646 | T | 88.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 165.9 | 176.7 | 62.7 | 0 | 0 | 0 | 0 | 112.5 | P601 I602 V603 L644 G648 L652 C655 | P601-T646 CarbonylContact C-O 3.5Å; P601-T646 WeakPolarHBondContact CA-O 3.5Å; I602-T646 PolarHBondContact N-O 3.25Å; V603-T646 PolarHBondContact N-O 3.05Å; V603-T646 VanDerWaalsContact N-O 3.09Å; V603-T646 PolarHBondContact O-N 2.95Å; L644-T646 HydrophobicContact CD1-CG2 4.41Å; L644-T646 HydrophobicContact CD2-CG2 4.28Å; L644-T646 HydrophobicContact CG-CG2 4.1Å; T646-G648 PolarHBondContact OG1-O 3.15Å; T646-L652 WeakPolarHBondContact OG1-CB 3.31Å; T646-C655 HydrophobicContact CG2-CB 4.33Å |
| 647 | A | 84.4 | Confident | 86.3 | Confident | 13 Ų | 13 | 34 Ų | 34 | 11% | 0.107 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -72.2 | -29 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A599 H651 | A599-A647 HydrophobicContact CB-CB 4.28Å; A647-H651 PolarHBondContact N-ND1 2.89Å |
| 648 | G | 82.9 | Confident | 86.8 | Confident | 7 Ų | 7 | 32 Ų | 32 | 7% | 0.072 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -167.7 | -179.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D98 T646 L652 | D98-G648 VanDerWaalsContact OD2-C 3.28Å; D98-G648 VanDerWaalsContact OD2-CA 3.3Å; D98-G648 WeakPolarHBondContact OD2-CA 3.15Å; T646-G648 PolarHBondContact OG1-O 3.15Å; G648-L652 WeakPolarHBondContact O-CB 3.47Å; G648-L652 PolarHBondContact O-N 2.85Å |
| 649 | E | 82 | Confident | 87.6 | Confident | 79 Ų | 79 | 22.6 Ų | 22.6 | 37% | 0.369 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -73 | -37.7 | -173.8 | -176.1 | 168.6 | -150.9 | 0 | 0 | 112.8 | D98 H651 L652 Q653 F1019 G1020 | D98-E649 PolarHBondContact OD2-N 3.45Å; E649-H651 VanDerWaalsContact C-N 3.33Å; E649-L652 PolarHBondContact O-N 2.77Å; E649-Q653 PolarHBondContact O-N 2.77Å; E649-Q653 VanDerWaalsContact O-N 3.08Å; E649-F1019 HydrophobicContact CB-CD1 4.49Å; E649-F1019 HydrophobicContact CG-CD1 4.38Å; E649-G1020 VanDerWaalsContact CD-N 3.34Å; E649-G1020 PolarHBondContact OE1-N 2.88Å; E649-G1020 VanDerWaalsContact OE1-N 3.09Å; E649-G1020 PolarHBondContact OE2-N 2.99Å |
| 650 | V | 83.6 | Confident | 88.4 | Confident | 38 Ų | 38 | 23.6 Ų | 23.6 | 23% | 0.23 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69 | -39.3 | 178.2 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | I68 D98 F99 R654 | I68-V650 HydrophobicContact CD1-CG1 4.3Å; D98-V650 WeakPolarHBondContact OD2-CB 3.47Å; D98-V650 PolarHBondContact OD2-N 3.48Å; D98-V650 VanDerWaalsContact OD2-N 3.08Å; F99-V650 HydrophobicContact CE2-CG1 4.33Å; F99-V650 HydrophobicContact CZ-CG1 4.3Å; V650-R654 PolarHBondContact O-N 2.82Å |
| 651 | H | 87.8 | Confident | 88.7 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.6 | -40.5 | 174.3 | 174.1 | -162.6 | 0 | 0 | 0 | 112.4 | D98 F99 D629 A647 E649 Q653 R654 C655 | D98-H651 HydrophobicContact CB-CB 3.73Å; D98-H651 PolarHBondContact O-ND1 3.38Å; D98-H651 PolarHBondContact OD2-N 3Å; F99-H651 HydrophobicContact CD1-CB 4.22Å; F99-H651 HydrophobicContact CE1-CB 3.65Å; F99-H651 AromaticContact CE1-CG 3.97Å; F99-H651 HydrophobicContact CZ-CB 4.27Å; D629-H651 IonicContact OD1-CE1 3.47Å; D629-H651 IonicContact OD1-NE2 3.37Å; D629-H651 PolarHBondContact OD1-NE2 2.8Å; D629-H651 IonicContact OD2-CD2 3.09Å; D629-H651 IonicContact OD2-CE1 2.78Å; D629-H651 IonicContact OD2-NE2 2.72Å; D629-H651 PolarHBondContact OD2-NE2 3.34Å; D629-H651 VanDerWaalsContact OD2-NE2 3.07Å; A647-H651 PolarHBondContact N-ND1 2.89Å; E649-H651 VanDerWaalsContact C-N 3.33Å; H651-Q653 VanDerWaalsContact C-N 3.3Å; H651-Q653 PolarHBondContact O-N 2.97Å; H651-R654 WeakPolarHBondContact O-CB 3.47Å; H651-R654 PolarHBondContact O-N 3.29Å; H651-C655 PolarHBondContact CD2-SG 3.18Å; H651-C655 PolarHBondContact NE2-SG 3.05Å; H651-C655 PolarHBondContact O-N 3.45Å; H651-C655 PolarHBondContact O-SG 2.99Å |
| 652 | L | 89.4 | Confident | 88.6 | Confident | 15 Ų | 15 | 28.6 Ų | 28.6 | 8% | 0.079 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -52.6 | -49.8 | 171.9 | 173.6 | 64.2 | 0 | 0 | 0 | 111.2 | V603 V605 L644 T646 G648 E649 R654 C655 L656 | V603-L652 HydrophobicContact CG1-CB 4.44Å; V603-L652 HydrophobicContact CG1-CD2 3.92Å; V605-L652 HydrophobicContact CB-CD1 4Å; V605-L652 HydrophobicContact CG2-CD1 3.66Å; V605-L652 HydrophobicContact CG2-CD2 3.62Å; V605-L652 HydrophobicContact CG2-CG 4.28Å; L644-L652 HydrophobicContact CD2-CD1 4.23Å; T646-L652 WeakPolarHBondContact OG1-CB 3.31Å; G648-L652 WeakPolarHBondContact O-CB 3.47Å; G648-L652 PolarHBondContact O-N 2.85Å; E649-L652 PolarHBondContact O-N 2.77Å; L652-R654 PolarHBondContact O-N 2.68Å; L652-C655 PolarHBondContact O-N 3.11Å; L652-L656 HydrophobicContact CD1-CD1 4.01Å; L652-L656 HydrophobicContact CD1-CG 4.21Å; L652-L656 HydrophobicContact CG-CD1 3.98Å; L652-L656 WeakPolarHBondContact O-CG 3.46Å; L652-L656 PolarHBondContact O-N 3.27Å |
| 653 | Q | 88.8 | Confident | 88.5 | Confident | 91 Ų | 91 | 28.2 Ų | 28.2 | 43% | 0.425 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -61.7 | -46.4 | -179.6 | -161.2 | -163.1 | -2 | 0 | 0 | 111.5 | R66 E649 H651 C655 L656 D657 | R66-Q653 VanDerWaalsContact NH1-OE1 3.12Å; E649-Q653 PolarHBondContact O-N 2.77Å; E649-Q653 VanDerWaalsContact O-N 3.08Å; H651-Q653 VanDerWaalsContact C-N 3.3Å; H651-Q653 PolarHBondContact O-N 2.97Å; Q653-C655 VanDerWaalsContact C-N 3.26Å; Q653-C655 PolarHBondContact O-N 3.29Å; Q653-L656 PolarHBondContact O-N 3.38Å; Q653-L656 VanDerWaalsContact O-N 3.15Å; Q653-D657 PolarHBondContact NE2-OD2 3.27Å; Q653-D657 PolarHBondContact O-N 3.48Å |
| 654 | R | 89.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -52.4 | -43.8 | 175.6 | -172.6 | -178.2 | 88.5 | 162.2 | 10.4 | 112.2 | M70 E102 D629 V650 H651 L652 D658 | M70-R654 PolarHBondContact O-NH1 2.85Å; E102-R654 IonicContact OE1-CZ 2.81Å; E102-R654 VanDerWaalsContact OE1-CZ 3.27Å; E102-R654 IonicContact OE1-NH1 3.12Å; E102-R654 PolarHBondContact OE1-NH1 2.78Å; E102-R654 IonicContact OE1-NH2 3.03Å; E102-R654 PolarHBondContact OE1-NH2 3.4Å; D629-R654 IonicContact OD2-CZ 3.38Å; D629-R654 IonicContact OD2-NE 3.71Å; D629-R654 IonicContact OD2-NH2 3.48Å; D629-R654 PolarHBondContact OD2-NH2 2.89Å; V650-R654 PolarHBondContact O-N 2.82Å; H651-R654 WeakPolarHBondContact O-CB 3.47Å; H651-R654 PolarHBondContact O-N 3.29Å; L652-R654 PolarHBondContact O-N 2.68Å; R654-D658 WeakPolarHBondContact O-CB 3.45Å; R654-D658 PolarHBondContact O-N 3.11Å |
| 655 | C | 91.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.6 | -37.1 | -179.4 | -71 | 0 | 0 | 0 | 0 | 113.4 | L625 L644 T646 H651 L652 Q653 L659 | L625-C655 HydrophobicContact CD1-CB 4.19Å; L625-C655 HydrophobicContact CD2-CB 3.9Å; L644-C655 HydrophobicContact CD2-CB 3.72Å; T646-C655 HydrophobicContact CG2-CB 4.33Å; H651-C655 PolarHBondContact CD2-SG 3.18Å; H651-C655 PolarHBondContact NE2-SG 3.05Å; H651-C655 PolarHBondContact O-N 3.45Å; H651-C655 PolarHBondContact O-SG 2.99Å; L652-C655 PolarHBondContact O-N 3.11Å; Q653-C655 VanDerWaalsContact C-N 3.26Å; Q653-C655 PolarHBondContact O-N 3.29Å; C655-L659 VanDerWaalsContact O-CG 3.31Å; C655-L659 WeakPolarHBondContact O-CG 3.39Å; C655-L659 PolarHBondContact O-N 3.44Å |
| 656 | L | 92.5 | Very high | 88.4 | Confident | 14 Ų | 14 | 34 Ų | 34 | 7% | 0.073 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.9 | -38.1 | 175.9 | -67.8 | 170.3 | 0 | 0 | 0 | 111.7 | V607 L644 L652 Q653 R660 I668 V670 | V607-L656 HydrophobicContact CG2-CD2 3.93Å; L644-L656 HydrophobicContact CD2-CD2 4.4Å; L652-L656 HydrophobicContact CD1-CD1 4.01Å; L652-L656 HydrophobicContact CD1-CG 4.21Å; L652-L656 HydrophobicContact CG-CD1 3.98Å; L652-L656 WeakPolarHBondContact O-CG 3.46Å; L652-L656 PolarHBondContact O-N 3.27Å; Q653-L656 PolarHBondContact O-N 3.38Å; Q653-L656 VanDerWaalsContact O-N 3.15Å; L656-R660 WeakPolarHBondContact O-CD 3.18Å; L656-R660 VanDerWaalsContact O-CG 3.27Å; L656-R660 WeakPolarHBondContact O-CG 3.23Å; L656-R660 PolarHBondContact O-N 3.34Å; L656-R660 VanDerWaalsContact O-N 3.16Å; L656-I668 HydrophobicContact CB-CD1 4.31Å; L656-I668 HydrophobicContact CD2-CD1 3.77Å; L656-V670 HydrophobicContact CD1-CG1 3.76Å; L656-V670 HydrophobicContact CD1-CG2 4.44Å; L656-V670 HydrophobicContact CD2-CG1 4.02Å; L656-V670 HydrophobicContact CD2-CG2 4Å |
| 657 | D | 90.7 | Very high | 88.7 | Confident | 29 Ų | 29 | 39.4 Ų | 39.4 | 16% | 0.155 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -76.1 | -39.8 | 179.1 | -61 | -23.3 | 0 | 0 | 0 | 110.9 | Q653 L659 R660 E661 | Q653-D657 PolarHBondContact NE2-OD2 3.27Å; Q653-D657 PolarHBondContact O-N 3.48Å; D657-L659 VanDerWaalsContact C-N 3.3Å; D657-L659 PolarHBondContact O-N 3.21Å; D657-R660 PolarHBondContact O-N 3.19Å; D657-R660 VanDerWaalsContact O-N 3.15Å; D657-R660 IonicContact OD1-CZ 2.67Å; D657-R660 IonicContact OD1-NH1 2.73Å; D657-R660 PolarHBondContact OD1-NH1 2.92Å; D657-E661 PolarHBondContact O-N 3.24Å |
| 658 | D | 90 | Very high | 89.1 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.1 | -35.7 | 169.8 | -89.4 | 5.5 | 0 | 0 | 0 | 112.4 | R60 K71 L625 R654 R662 F663 | R60-D658 IonicContact CZ-OD1 3.76Å; R60-D658 VanDerWaalsContact NH1-CG 3.34Å; R60-D658 IonicContact NH1-OD1 2.76Å; R60-D658 PolarHBondContact NH1-OD1 3.09Å; R60-D658 IonicContact NH1-OD2 2.78Å; R60-D658 PolarHBondContact NH1-OD2 3.19Å; R60-D658 VanDerWaalsContact NH1-OD2 3.1Å; R60-D658 IonicContact NH2-OD1 2.65Å; R60-D658 PolarHBondContact NH2-OD1 3.05Å; K71-D658 IonicContact NZ-OD2 3.12Å; K71-D658 PolarHBondContact NZ-OD2 3.08Å; L625-D658 HydrophobicContact CD1-CB 4.46Å; R654-D658 WeakPolarHBondContact O-CB 3.45Å; R654-D658 PolarHBondContact O-N 3.11Å; D658-R662 WeakPolarHBondContact O-CA 3.47Å; D658-R662 WeakPolarHBondContact O-CB 3.47Å; D658-R662 PolarHBondContact O-N 2.85Å; D658-R662 VanDerWaalsContact O-N 3.11Å; D658-R662 WeakPolarHBondContact OD1-CD 3.5Å; D658-F663 HydrophobicContact CB-CD2 4.13Å; D658-F663 HydrophobicContact CB-CE2 3.81Å; D658-F663 PolarHBondContact O-N 2.84Å |
| 659 | L | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -67.3 | -42.3 | 173.5 | -77.9 | 168.2 | 0 | 0 | 0 | 112.7 | G621 M622 L625 C655 D657 A664 K665 I668 | G621-L659 VanDerWaalsContact C-CD2 3.48Å; G621-L659 WeakPolarHBondContact O-CD2 3.38Å; M622-L659 HydrophobicContact CG-CD1 4.39Å; M622-L659 HydrophobicContact CG-CD2 4.05Å; L625-L659 HydrophobicContact CB-CD2 4.16Å; L625-L659 HydrophobicContact CD2-CD1 3.87Å; L625-L659 HydrophobicContact CD2-CD2 4.24Å; L625-L659 HydrophobicContact CD2-CG 3.92Å; C655-L659 VanDerWaalsContact O-CG 3.31Å; C655-L659 WeakPolarHBondContact O-CG 3.39Å; C655-L659 PolarHBondContact O-N 3.44Å; D657-L659 VanDerWaalsContact C-N 3.3Å; D657-L659 PolarHBondContact O-N 3.21Å; L659-A664 WeakPolarHBondContact O-CB 3.49Å; L659-A664 PolarHBondContact O-N 3.1Å; L659-K665 PolarHBondContact O-N 2.96Å; L659-I668 HydrophobicContact CB-CD1 4.23Å |
| 660 | R | 91.8 | Very high | 90.1 | Very high | 92 Ų | 92 | 40.1 Ų | 40.1 | 35% | 0.347 | 20% | 0.195 | S | C | . | . | I | π-helix | trans | -68.1 | -46.3 | -178.6 | -75.3 | 164.8 | 176.4 | 152.1 | -1 | 112.9 | L656 D657 K665 I668 | L656-R660 WeakPolarHBondContact O-CD 3.18Å; L656-R660 VanDerWaalsContact O-CG 3.27Å; L656-R660 WeakPolarHBondContact O-CG 3.23Å; L656-R660 PolarHBondContact O-N 3.34Å; L656-R660 VanDerWaalsContact O-N 3.16Å; D657-R660 PolarHBondContact O-N 3.19Å; D657-R660 VanDerWaalsContact O-N 3.15Å; D657-R660 IonicContact OD1-CZ 2.67Å; D657-R660 IonicContact OD1-NH1 2.73Å; D657-R660 PolarHBondContact OD1-NH1 2.92Å; R660-K665 VanDerWaalsContact O-CA 3.32Å; R660-K665 WeakPolarHBondContact O-CA 3.42Å; R660-I668 HydrophobicContact CG-CD1 3.95Å; R660-I668 HydrophobicContact CG-CG1 3.78Å |
| 661 | E | 87.4 | Confident | 90.4 | Very high | 140 Ų | 140 | 40.3 Ų | 40.3 | 65% | 0.654 | 20% | 0.198 | S | C | * | . | I | π-helix | trans | -96.4 | -35.9 | -167.4 | -62.4 | 179.8 | 173.5 | 0 | 0 | 112.5 | D657 | D657-E661 PolarHBondContact O-N 3.24Å |
| 662 | R | 84.4 | Confident | 90.3 | Very high | 50 Ų | 50 | 49.1 Ų | 49.1 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -106.9 | -61.8 | -169.4 | -56.5 | -176.1 | 61.4 | 158.9 | -0.9 | 113 | A420 E489 D658 K665 | A420-R662 PolarHBondContact O-NH2 2.87Å; E489-R662 IonicContact OE1-CZ 2.82Å; E489-R662 IonicContact OE1-NE 3.73Å; E489-R662 PolarHBondContact OE1-NE 2.85Å; E489-R662 IonicContact OE1-NH2 3.28Å; E489-R662 PolarHBondContact OE1-NH2 2.93Å; D658-R662 WeakPolarHBondContact O-CA 3.47Å; D658-R662 WeakPolarHBondContact O-CB 3.47Å; D658-R662 PolarHBondContact O-N 2.85Å; D658-R662 VanDerWaalsContact O-N 3.11Å; D658-R662 WeakPolarHBondContact OD1-CD 3.5Å; R662-K665 WeakPolarHBondContact O-CE 3.38Å; R662-K665 WeakPolarHBondContact O-CG 3.28Å |
| 663 | F | 88 | Confident | 90.1 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -85.3 | -56.9 | -164.9 | -58.2 | -47.3 | 0 | 0 | 0 | 114.7 | A420 E489 F491 L624 L625 A628 D658 | A420-F663 HydrophobicContact CB-CE1 3.66Å; A420-F663 HydrophobicContact CB-CZ 4.31Å; E489-F663 VanDerWaalsContact OE2-CD1 3.23Å; E489-F663 WeakPolarHBondContact OE2-CD1 3.45Å; E489-F663 WeakPolarHBondContact OE2-CE1 3.41Å; F491-F663 HydrophobicContact CE1-CE1 4.26Å; F491-F663 HydrophobicContact CZ-CD1 4.1Å; F491-F663 AromaticContact CZ-CE1 3.72Å; F491-F663 HydrophobicContact CZ-CE1 3.72Å; L624-F663 HydrophobicContact CB-CB 4.3Å; L624-F663 HydrophobicContact CB-CD1 4.03Å; L624-F663 HydrophobicContact CB-CG 4.17Å; L625-F663 HydrophobicContact CB-CD2 3.92Å; L625-F663 HydrophobicContact CB-CE2 4.06Å; L625-F663 HydrophobicContact CD1-CD2 4.23Å; L625-F663 HydrophobicContact CD1-CE2 3.78Å; A628-F663 HydrophobicContact CB-CE1 4.44Å; A628-F663 HydrophobicContact CB-CE2 4.21Å; A628-F663 HydrophobicContact CB-CZ 3.62Å; D658-F663 HydrophobicContact CB-CD2 4.13Å; D658-F663 HydrophobicContact CB-CE2 3.81Å; D658-F663 PolarHBondContact O-N 2.84Å |
| 664 | A | 88.3 | Confident | 89.8 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -89.7 | -31.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L659 I666 | L659-A664 WeakPolarHBondContact O-CB 3.49Å; L659-A664 PolarHBondContact O-N 3.1Å; A664-I666 HydrophobicContact CB-CD1 3.97Å; A664-I666 HydrophobicContact CB-CG1 3.79Å |
| 665 | K | 90.8 | Very high | 89.3 | Confident | 106 Ų | 106 | 47.9 Ų | 47.9 | 46% | 0.461 | 24% | 0.236 | S | C | . | . | trans | 56 | 46.9 | -177.6 | -54.7 | -167.9 | -177.5 | -173.3 | 0 | 112.5 | Q487 L659 R660 R662 | Q487-K665 PolarHBondContact O-NZ 3.49Å; L659-K665 PolarHBondContact O-N 2.96Å; R660-K665 VanDerWaalsContact O-CA 3.32Å; R660-K665 WeakPolarHBondContact O-CA 3.42Å; R662-K665 WeakPolarHBondContact O-CE 3.38Å; R662-K665 WeakPolarHBondContact O-CG 3.28Å | ||
| 666 | I | 92.8 | Very high | 88.9 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -137.8 | 159.1 | -178.6 | 65.3 | -178.3 | 0 | 0 | 0 | 111.6 | P609 E614 K617 L618 A664 I668 | P609-I666 HydrophobicContact CB-CD1 4.09Å; E614-I666 HydrophobicContact CB-CD1 4.47Å; E614-I666 HydrophobicContact CB-CG2 4.12Å; E614-I666 HydrophobicContact CG-CG2 4.47Å; E614-I666 WeakPolarHBondContact OE2-CG2 3.27Å; K617-I666 HydrophobicContact CB-CD1 4.47Å; K617-I666 HydrophobicContact CB-CG2 4.09Å; K617-I666 HydrophobicContact CD-CG2 3.51Å; K617-I666 HydrophobicContact CG-CG2 4.49Å; L618-I666 HydrophobicContact CB-CD1 3.79Å; L618-I666 HydrophobicContact CD1-CD1 4.36Å; A664-I666 HydrophobicContact CB-CD1 3.97Å; A664-I666 HydrophobicContact CB-CG1 3.79Å; I666-I668 HydrophobicContact CD1-CG2 4.21Å; I666-I668 HydrophobicContact CG1-CG2 3.96Å; I666-I668 PolarHBondContact O-N 3.27Å |
| 667 | E | 93.7 | Very high | 88.7 | Confident | 114 Ų | 114 | 48 Ų | 48 | 53% | 0.533 | 24% | 0.236 | S | C | . | . | trans | -80.7 | 112.8 | 171 | -60.2 | -160.8 | 154.4 | 0 | 0 | 111.4 | K610 | K610-E667 HydrophobicContact CB-CB 4.44Å; K610-E667 HydrophobicContact CD-CB 3.72Å; K610-E667 VanDerWaalsContact CD-OE2 3.3Å; K610-E667 WeakPolarHBondContact CD-OE2 3.31Å; K610-E667 WeakPolarHBondContact CE-OE2 3.48Å; K610-E667 HydrophobicContact CG-CB 4.13Å; K610-E667 WeakPolarHBondContact CG-O 3.27Å; K610-E667 PolarHBondContact N-O 3.31Å; K610-E667 IonicContact NZ-OE2 3.51Å; K610-E667 PolarHBondContact NZ-OE2 2.92Å | ||
| 668 | I | 94.3 | Very high | 88.6 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.036 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 134.2 | 176.1 | 62.3 | -178.3 | 0 | 0 | 0 | 112.8 | V607 E608 L618 L656 L659 R660 I666 V670 | V607-I668 HydrophobicContact CG1-CB 3.89Å; V607-I668 HydrophobicContact CG1-CD1 3.91Å; V607-I668 HydrophobicContact CG1-CG1 4.39Å; V607-I668 HydrophobicContact CG1-CG2 3.99Å; E608-I668 CarbonylContact O-C 3.58Å; E608-I668 WeakPolarHBondContact O-CA 3.49Å; L618-I668 HydrophobicContact CD1-CG2 3.98Å; L656-I668 HydrophobicContact CB-CD1 4.31Å; L656-I668 HydrophobicContact CD2-CD1 3.77Å; L659-I668 HydrophobicContact CB-CD1 4.23Å; R660-I668 HydrophobicContact CG-CD1 3.95Å; R660-I668 HydrophobicContact CG-CG1 3.78Å; I666-I668 HydrophobicContact CD1-CG2 4.21Å; I666-I668 HydrophobicContact CG1-CG2 3.96Å; I666-I668 PolarHBondContact O-N 3.27Å; I668-V670 HydrophobicContact CD1-CG2 4.23Å; I668-V670 HydrophobicContact CG1-CG2 3.99Å |
| 669 | S | 92.8 | Very high | 88.6 | Confident | 58 Ų | 58 | 49.4 Ų | 49.4 | 41% | 0.406 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 148.5 | 157.3 | -170.1 | 0 | 0 | 0 | 0 | 109.4 | E608 | E608-S669 PolarHBondContact N-O 3.25Å; E608-S669 VanDerWaalsContact N-O 3.08Å; E608-S669 PolarHBondContact O-N 3.22Å |
| 670 | V | 92.3 | Very high | 88.6 | Confident | 48 Ų | 48 | 50 Ų | 50 | 29% | 0.291 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 124.8 | -167.1 | -173.4 | 0 | 0 | 0 | 0 | 109 | V605 L656 I668 | V605-V670 HydrophobicContact CG1-CG1 3.37Å; L656-V670 HydrophobicContact CD1-CG1 3.76Å; L656-V670 HydrophobicContact CD1-CG2 4.44Å; L656-V670 HydrophobicContact CD2-CG1 4.02Å; L656-V670 HydrophobicContact CD2-CG2 4Å; I668-V670 HydrophobicContact CD1-CG2 4.23Å; I668-V670 HydrophobicContact CG1-CG2 3.99Å |
| 671 | S | 89.1 | Confident | 88.4 | Confident | 43 Ų | 43 | 45.8 Ų | 45.8 | 30% | 0.301 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -68.2 | 165.6 | 177.9 | 81.3 | 0 | 0 | 0 | 0 | 112.1 | A606 | A606-S671 PolarHBondContact N-OG 2.89Å; A606-S671 PolarHBondContact O-N 3.38Å |
| 672 | K | 85.8 | Confident | 88.2 | Confident | 186 Ų | 186 | 41.8 Ų | 41.8 | 81% | 0.809 | 21% | 0.212 | S | C | * | . | P | Polyproline II helix | trans | -60.7 | 151 | 159.1 | -67.1 | -177.4 | 179.9 | 179.3 | 0 | 109.5 | I674 | K672-I674 PolarHBondContact O-N 3.02Å; K672-I674 VanDerWaalsContact O-N 3.16Å |
| 673 | P | 85.3 | Confident | 87.8 | Confident | 52 Ų | 52 | 45.1 Ų | 45.1 | 34% | 0.338 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -51.2 | 121 | 174.6 | -29.3 | 36.5 | 0 | 0 | 0 | 112.6 | R604 F1019 | R604-P673 CarbonylContact O-C 3.5Å; P673-F1019 HydrophobicContact CB-CD1 4.06Å; P673-F1019 HydrophobicContact CB-CD2 4.23Å; P673-F1019 HydrophobicContact CB-CE1 3.59Å; P673-F1019 HydrophobicContact CB-CE2 3.8Å; P673-F1019 HydrophobicContact CB-CG 4.35Å; P673-F1019 HydrophobicContact CB-CZ 3.45Å; P673-F1019 VanDerWaalsContact CB-CZ 3.45Å; P673-F1019 HydrophobicContact CG-CD1 3.67Å; P673-F1019 HydrophobicContact CG-CD2 4.46Å; P673-F1019 HydrophobicContact CG-CE1 3.61Å; P673-F1019 HydrophobicContact CG-CE2 4.43Å; P673-F1019 HydrophobicContact CG-CG 4.1Å; P673-F1019 HydrophobicContact CG-CZ 4.02Å |
| 674 | I | 82.3 | Confident | 86.7 | Confident | 11 Ų | 11 | 47.5 Ų | 47.5 | 6% | 0.056 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -85.3 | 134.9 | 171.1 | -63.3 | 168.1 | 0 | 0 | 0 | 107 | R604 A606 K672 | R604-I674 HydrophobicContact CB-CB 3.86Å; R604-I674 HydrophobicContact CB-CG2 4.1Å; R604-I674 WeakPolarHBondContact CB-O 3.14Å; R604-I674 PolarHBondContact N-O 2.72Å; R604-I674 VanDerWaalsContact N-O 3.14Å; R604-I674 WeakPolarHBondContact O-CA 3.21Å; R604-I674 WeakPolarHBondContact O-CB 3.41Å; R604-I674 PolarHBondContact O-N 2.72Å; A606-I674 HydrophobicContact CB-CD1 4.06Å; K672-I674 PolarHBondContact O-N 3.02Å; K672-I674 VanDerWaalsContact O-N 3.16Å |
| 675 | I | 80.6 | Confident | 85.2 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 9% | 0.087 | 26% | 0.261 | C | S | . | . | trans | -128.8 | 124.7 | -178.2 | -55.8 | 169.6 | 0 | 0 | 0 | 106.5 | F677 V1015 A1016 F1019 | I675-F677 HydrophobicContact CB-CE2 4.45Å; I675-F677 WeakPolarHBondContact O-CD2 3.28Å; I675-F677 PolarHBondContact O-N 3.1Å; I675-V1015 HydrophobicContact CD1-CG1 4.28Å; I675-V1015 HydrophobicContact CG1-CG1 4.44Å; I675-V1015 HydrophobicContact CG2-CB 4.35Å; I675-V1015 HydrophobicContact CG2-CG1 4.03Å; I675-A1016 HydrophobicContact CD1-CB 4.09Å; I675-F1019 HydrophobicContact CD1-CD2 4.46Å; I675-F1019 HydrophobicContact CD1-CE2 3.75Å; I675-F1019 HydrophobicContact CG1-CE2 4.19Å | ||
| 676 | P | 81.5 | Confident | 83.1 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 4% | 0.039 | 28% | 0.28 | C | S | . | . | trans | -66.2 | 129.2 | 169.8 | 26.7 | -29.8 | 0 | 0 | 0 | 108.6 | W1042 | P676-W1042 HydrophobicContact CB-CH2 4.27Å; P676-W1042 HydrophobicContact CG-CH2 4.15Å; P676-W1042 WeakPolarHBondContact O-CH2 3.45Å; P676-W1042 WeakPolarHBondContact O-CZ3 3.18Å | ||
| 677 | F | 88.4 | Confident | 80.7 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | trans | -99.1 | 172.3 | 164.2 | -69.9 | -90.9 | 0 | 0 | 0 | 108.8 | I675 L965 M966 A967 Y1075 V1079 | I675-F677 HydrophobicContact CB-CE2 4.45Å; I675-F677 WeakPolarHBondContact O-CD2 3.28Å; I675-F677 PolarHBondContact O-N 3.1Å; F677-L965 HydrophobicContact CB-CD1 3.84Å; F677-L965 HydrophobicContact CB-CD2 4.34Å; F677-L965 HydrophobicContact CB-CG 4.02Å; F677-L965 HydrophobicContact CD1-CD1 4.49Å; F677-L965 HydrophobicContact CD1-CD2 3.49Å; F677-L965 VanDerWaalsContact CD1-CD2 3.49Å; F677-L965 HydrophobicContact CD1-CG 3.8Å; F677-L965 HydrophobicContact CE1-CD2 3.86Å; F677-L965 HydrophobicContact CG-CD1 4.3Å; F677-L965 HydrophobicContact CG-CD2 3.9Å; F677-L965 HydrophobicContact CG-CG 4.11Å; F677-M966 WeakPolarHBondContact CD1-O 3.3Å; F677-A967 HydrophobicContact CE1-CB 4.47Å; F677-Y1075 HydrophobicContact CE1-CD1 4.45Å; F677-Y1075 HydrophobicContact CE1-CD2 4.1Å; F677-Y1075 HydrophobicContact CE1-CG 4.01Å; F677-Y1075 AromaticContact CZ-CD1 3.79Å; F677-Y1075 HydrophobicContact CZ-CD1 3.79Å; F677-Y1075 HydrophobicContact CZ-CD2 4.24Å; F677-Y1075 HydrophobicContact CZ-CE1 4.42Å; F677-Y1075 AromaticContact CZ-CG 3.71Å; F677-Y1075 HydrophobicContact CZ-CG 3.71Å; F677-V1079 HydrophobicContact CD2-CG2 3.78Å; F677-V1079 HydrophobicContact CE2-CG2 4.01Å | ||
| 678 | R | 89.6 | Confident | 78.1 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 22% | 0.223 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 158.3 | 163.4 | -53.7 | -66.9 | -176.8 | -154.3 | 6.2 | 110.3 | P878 M880 M966 W1042 | R678-P878 WeakPolarHBondContact CD-O 3.38Å; R678-M880 HydrophobicContact CB-CB 3.84Å; R678-M880 HydrophobicContact CB-SD 4.4Å; R678-M880 HydrophobicContact CG-CB 4.14Å; R678-M880 HydrophobicContact CG-SD 3.9Å; R678-M966 HydrophobicContact CB-CB 4.1Å; R678-M966 HydrophobicContact CB-CG 4.43Å; R678-M966 HydrophobicContact CB-SD 4.31Å; R678-M966 PolarHBondContact N-O 3.38Å; R678-M966 VanDerWaalsContact N-O 3.12Å; R678-M966 PolarHBondContact O-N 2.89Å; R678-W1042 HydrophobicContact CB-CE3 4.49Å; R678-W1042 HydrophobicContact CG-CD2 3.81Å; R678-W1042 HydrophobicContact CG-CE3 3.65Å; R678-W1042 HydrophobicContact CG-CG 4.45Å; R678-W1042 HydrophobicContact CG-CH2 4.16Å; R678-W1042 HydrophobicContact CG-CZ2 4.31Å; R678-W1042 HydrophobicContact CG-CZ3 3.83Å |
| 679 | E | 90.4 | Very high | 75.7 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.5 | 176.9 | -62 | -175.9 | -148.6 | 0 | 0 | 109.3 | G872 P873 M874 C875 E876 E877 P878 L879 M880 F958 | E679-G872 WeakPolarHBondContact OE2-CA 3.41Å; E679-P873 VanDerWaalsContact OE2-CD 3.26Å; E679-P873 WeakPolarHBondContact OE2-CD 3.27Å; E679-P873 VanDerWaalsContact OE2-N 3.12Å; E679-M874 HydrophobicContact CB-CE 3.71Å; E679-M874 HydrophobicContact CG-CB 4.4Å; E679-M874 HydrophobicContact CG-CE 3.72Å; E679-M874 WeakPolarHBondContact OE2-CB 3.49Å; E679-M874 PolarHBondContact OE2-N 3.23Å; E679-C875 WeakPolarHBondContact OE1-CA 3.47Å; E679-C875 WeakPolarHBondContact OE1-CB 3.42Å; E679-C875 PolarHBondContact OE1-N 3.43Å; E679-E876 PolarHBondContact OE1-N 3.12Å; E679-E877 HydrophobicContact CG-CB 4.34Å; E679-E877 PolarHBondContact OE1-N 3.34Å; E679-P878 PolarHBondContact N-O 3.2Å; E679-L879 HydrophobicContact CB-CD2 3.68Å; E679-L879 CarbonylContact O-C 3.56Å; E679-L879 VanDerWaalsContact O-CA 3.3Å; E679-L879 WeakPolarHBondContact O-CA 3.38Å; E679-M880 PolarHBondContact O-N 3.47Å; E679-F958 HydrophobicContact CB-CZ 3.99Å |
| 680 | T | 91.1 | Very high | 73.2 | Confident | 11 Ų | 11 | 70.8 Ų | 70.8 | 7% | 0.067 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 163.3 | -178.7 | -159.7 | 0 | 0 | 0 | 0 | 112.5 | V682 M880 F958 R964 M966 V1044 | T680-V682 HydrophobicContact CG2-CG2 4.38Å; T680-M880 VanDerWaalsContact CB-O 3.27Å; T680-M880 WeakPolarHBondContact CB-O 3.39Å; T680-M880 PolarHBondContact OG1-O 3.33Å; T680-F958 WeakPolarHBondContact O-CZ 3.35Å; T680-R964 HydrophobicContact CG2-CB 4.13Å; T680-R964 PolarHBondContact N-O 3.03Å; T680-R964 PolarHBondContact O-N 2.91Å; T680-M966 HydrophobicContact CG2-CG 3.63Å; T680-M966 HydrophobicContact CG2-SD 3.89Å; T680-V1044 HydrophobicContact CG2-CG1 4.15Å; T680-V1044 HydrophobicContact CG2-CG2 4.2Å |
| 681 | V | 88.3 | Confident | 70.9 | Confident | 5 Ų | 5 | 73.3 Ų | 73.3 | 3% | 0.03 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 140.4 | 171.6 | 173.8 | 0 | 0 | 0 | 0 | 107.9 | P744 V882 F958 Q961 | V681-P744 HydrophobicContact CB-CB 4.39Å; V681-P744 HydrophobicContact CG1-CB 4.24Å; V681-P744 HydrophobicContact CG1-CG 4.32Å; V681-P744 WeakPolarHBondContact O-CB 3.44Å; V681-V882 HydrophobicContact CB-CG2 4.45Å; V681-V882 HydrophobicContact CG2-CG1 4.31Å; V681-V882 HydrophobicContact CG2-CG2 4.18Å; V681-F958 HydrophobicContact CG2-CD1 4.4Å; V681-F958 HydrophobicContact CG2-CD2 3.56Å; V681-F958 HydrophobicContact CG2-CE1 4.48Å; V681-F958 HydrophobicContact CG2-CE2 3.64Å; V681-F958 HydrophobicContact CG2-CG 3.97Å; V681-F958 HydrophobicContact CG2-CZ 4.12Å; V681-Q961 HydrophobicContact CB-CB 4.49Å; V681-Q961 HydrophobicContact CG1-CB 3.47Å; V681-Q961 VanDerWaalsContact CG1-CB 3.47Å; V681-Q961 HydrophobicContact CG1-CG 4.06Å; V681-Q961 HydrophobicContact CG2-CB 4.18Å |
| 682 | V | 83.4 | Confident | 68.9 | Low | 56 Ų | 56 | 79.7 Ų | 79.7 | 34% | 0.339 | 41% | 0.405 | S | S | . | . | trans | -112.3 | 158.1 | 172.2 | -171.2 | 0 | 0 | 0 | 0 | 109.5 | T680 P962 R964 V1044 | T680-V682 HydrophobicContact CG2-CG2 4.38Å; V682-P962 PolarHBondContact N-O 3.34Å; V682-P962 VanDerWaalsContact N-O 3.14Å; V682-P962 WeakPolarHBondContact O-CG 3.47Å; V682-R964 HydrophobicContact CB-CG 4.48Å; V682-R964 HydrophobicContact CG2-CB 3.94Å; V682-R964 HydrophobicContact CG2-CG 3.58Å; V682-V1044 HydrophobicContact CG2-CG1 4.09Å | ||
| 683 | R | 75.1 | Confident | 66.9 | Low | 120 Ų | 120 | 77.4 Ų | 77.4 | 45% | 0.453 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 131.4 | 167.4 | -63.2 | 177.8 | 178.7 | -169.3 | -6.1 | 107.2 | P744 E799 | R683-P744 HydrophobicContact CG-CG 3.66Å; R683-E799 IonicContact CZ-OE1 2.9Å; R683-E799 IonicContact CZ-OE2 2.8Å; R683-E799 IonicContact NH1-OE1 2.92Å; R683-E799 PolarHBondContact NH1-OE1 2.83Å; R683-E799 IonicContact NH1-OE2 2.87Å; R683-E799 IonicContact NH2-OE1 3.19Å; R683-E799 PolarHBondContact NH2-OE1 2.61Å; R683-E799 IonicContact NH2-OE2 3.88Å; R683-E799 PolarHBondContact NH2-OE2 2.8Å |
| 684 | P | 66 | Low | 65 | Low | 69 Ų | 69 | 77.5 Ų | 77.5 | 45% | 0.448 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -56 | 141 | 177.5 | 22 | -32.6 | 0 | 0 | 0 | 110.6 | K686 P962 | P684-K686 PolarHBondContact O-N 2.83Å; P684-P962 HydrophobicContact CB-CG 4.14Å |
| 685 | P | 56.7 | Low | 63.1 | Low | 73 Ų | 73 | 79.5 Ų | 79.5 | 47% | 0.474 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 135 | -177.4 | 25.7 | -33.8 | 0 | 0 | 0 | 110.2 | ||
| 686 | K | 46.9 | Very low | 61.3 | Low | 197 Ų | 197 | 85 Ų | 85 | 86% | 0.857 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -79.6 | -30.7 | -178.1 | -75.4 | -174.9 | 174.9 | -179.2 | 0 | 113.4 | P684 | P684-K686 PolarHBondContact O-N 2.83Š|
| 687 | V | 42.6 | Very low | 59.2 | Low | 101 Ų | 101 | 91 Ų | 91 | 61% | 0.612 | 47% | 0.469 | S | S | * | . | trans | -147.4 | 138.3 | -174.9 | -179.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 688 | D | 38.2 | Very low | 57.1 | Low | 105 Ų | 105 | 94.5 Ų | 94.5 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | B | Isolated β-bridge | trans | -109.2 | 153.9 | 160.9 | -157.7 | -18.5 | 0 | 0 | 0 | 107.9 | V690 N691 L694 | D688-V690 PolarHBondContact O-N 3.08Å; D688-N691 PolarHBondContact O-N 2.92Å; D688-L694 HydrophobicContact CB-CD1 4.35Å |
| 689 | M | 42.8 | Very low | 54.6 | Low | 193 Ų | 193 | 96.4 Ų | 96.4 | 95% | 0.951 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 1.9 | -163.7 | -97.8 | -172.2 | 169.4 | 0 | 0 | 116.1 | ||
| 690 | V | 42.1 | Very low | 52 | Low | 123 Ų | 123 | 100.4 Ų | 100.4 | 75% | 0.745 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.1 | -16.9 | -179.1 | -167.1 | 0 | 0 | 0 | 0 | 113.3 | D688 | D688-V690 PolarHBondContact O-N 3.08Š|
| 691 | N | 43.8 | Very low | 49.5 | Very low | 101 Ų | 101 | 102.3 Ų | 102.3 | 54% | 0.54 | 54% | 0.537 | S | S | . | . | B | Isolated β-bridge | trans | -143 | 126 | -171 | -81.7 | -57.3 | 0 | 0 | 0 | 113.9 | D688 L694 | D688-N691 PolarHBondContact O-N 2.92Å; N691-L694 HydrophobicContact CB-CD1 4.1Å; N691-L694 HydrophobicContact CB-CG 4.48Å |
| 692 | E | 46.8 | Very low | 47.2 | Very low | 178 Ų | 178 | 104.4 Ų | 104.4 | 83% | 0.832 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -86.4 | -15.5 | -173.1 | -62.1 | -170.6 | 126.1 | 0 | 0 | 115.7 | ||
| 693 | E | 43.2 | Very low | 45.2 | Very low | 138 Ų | 138 | 105.4 Ų | 105.4 | 65% | 0.645 | 55% | 0.552 | S | S | * | * | trans | -120.3 | 23.6 | -167.7 | -84.8 | -114.1 | 142.3 | 0 | 0 | 115.9 | G695 K696 | E693-G695 VanDerWaalsContact C-N 3.34Å; E693-G695 PolarHBondContact O-N 2.96Å; E693-K696 VanDerWaalsContact CD-NZ 3.34Å; E693-K696 IonicContact OE1-NZ 2.66Å; E693-K696 PolarHBondContact OE1-NZ 2.98Å; E693-K696 VanDerWaalsContact OE1-NZ 3.15Å; E693-K696 IonicContact OE2-NZ 2.73Å; E693-K696 PolarHBondContact OE2-NZ 3.2Å | ||
| 694 | L | 45.9 | Very low | 43.3 | Very low | 53 Ų | 53 | 105.1 Ų | 105.1 | 28% | 0.277 | 56% | 0.555 | S | S | . | * | G | 310 helix | trans | -69.3 | -19.9 | -176 | -93.2 | 163.4 | 0 | 0 | 0 | 116.1 | D688 N691 K696 Q697 Q698 | D688-L694 HydrophobicContact CB-CD1 4.35Å; N691-L694 HydrophobicContact CB-CD1 4.1Å; N691-L694 HydrophobicContact CB-CG 4.48Å; L694-K696 PolarHBondContact O-N 3.41Å; L694-Q697 HydrophobicContact CD2-CB 4.34Å; L694-Q697 PolarHBondContact O-N 3.14Å; L694-Q698 PolarHBondContact O-N 3.13Å; L694-Q698 VanDerWaalsContact O-N 3.14Å |
| 695 | G | 43 | Very low | 42.2 | Very low | 53 Ų | 53 | 105.9 Ų | 105.9 | 55% | 0.546 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -62.6 | -11.9 | -172 | 0 | 0 | 0 | 0 | 0 | 116.5 | E693 | E693-G695 VanDerWaalsContact C-N 3.34Å; E693-G695 PolarHBondContact O-N 2.96Å |
| 696 | K | 41.1 | Very low | 41.5 | Very low | 133 Ų | 133 | 105 Ų | 105 | 58% | 0.578 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -91.7 | -35.5 | 171.4 | -61.9 | 165.3 | -164.4 | 149.8 | 0 | 111.9 | E693 L694 | E693-K696 VanDerWaalsContact CD-NZ 3.34Å; E693-K696 IonicContact OE1-NZ 2.66Å; E693-K696 PolarHBondContact OE1-NZ 2.98Å; E693-K696 VanDerWaalsContact OE1-NZ 3.15Å; E693-K696 IonicContact OE2-NZ 2.73Å; E693-K696 PolarHBondContact OE2-NZ 3.2Å; L694-K696 PolarHBondContact O-N 3.41Å |
| 697 | Q | 38.7 | Very low | 41 | Very low | 133 Ų | 133 | 102.9 Ų | 102.9 | 62% | 0.621 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -79.2 | -41.7 | -174.2 | -68.7 | 178 | -12.3 | 0 | 0 | 112.3 | L694 K699 V700 A701 | L694-Q697 HydrophobicContact CD2-CB 4.34Å; L694-Q697 PolarHBondContact O-N 3.14Å; Q697-K699 VanDerWaalsContact C-N 3.28Å; Q697-K699 PolarHBondContact O-N 3.16Å; Q697-V700 PolarHBondContact O-N 2.81Å; Q697-A701 PolarHBondContact O-N 3.16Å |
| 698 | Q | 43 | Very low | 40.8 | Very low | 84 Ų | 84 | 106.4 Ų | 106.4 | 39% | 0.393 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.6 | -38.5 | 174.1 | -86.7 | -175.1 | -13.3 | 0 | 0 | 112.3 | L694 V700 A701 V702 | L694-Q698 PolarHBondContact O-N 3.13Å; L694-Q698 VanDerWaalsContact O-N 3.14Å; Q698-V700 VanDerWaalsContact C-N 3.32Å; Q698-V700 PolarHBondContact O-N 3.15Å; Q698-A701 PolarHBondContact O-N 2.98Å; Q698-V702 WeakPolarHBondContact O-CG2 3.43Å; Q698-V702 PolarHBondContact O-N 3.06Å |
| 699 | K | 38.4 | Very low | 40.8 | Very low | 98 Ų | 98 | 106.3 Ų | 106.3 | 43% | 0.426 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -56.7 | -44.9 | 172.2 | -79.5 | -165.2 | 170.6 | -159.2 | 0 | 111.6 | Q697 I703 P723 D724 | Q697-K699 VanDerWaalsContact C-N 3.28Å; Q697-K699 PolarHBondContact O-N 3.16Å; K699-I703 WeakPolarHBondContact O-CB 3.44Å; K699-I703 WeakPolarHBondContact O-CD1 3.17Å; K699-I703 WeakPolarHBondContact O-CG1 3.37Å; K699-I703 PolarHBondContact O-N 3.15Å; K699-P723 PolarHBondContact NZ-O 3.23Å; K699-D724 IonicContact NZ-OD1 2.85Å; K699-D724 PolarHBondContact NZ-OD1 3.41Å |
| 700 | V | 36 | Very low | 40.6 | Very low | 84 Ų | 84 | 100.6 Ų | 100.6 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.7 | -35.1 | 179.6 | 176.2 | 0 | 0 | 0 | 0 | 112.1 | Q697 Q698 H704 | Q697-V700 PolarHBondContact O-N 2.81Å; Q698-V700 VanDerWaalsContact C-N 3.32Å; Q698-V700 PolarHBondContact O-N 3.15Å; V700-H704 WeakPolarHBondContact O-CB 3.34Å; V700-H704 PolarHBondContact O-N 2.81Å |
| 701 | A | 38.3 | Very low | 40.3 | Very low | 52 Ų | 52 | 100 Ų | 100 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -50.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q697 Q698 I703 H704 Q705 | Q697-A701 PolarHBondContact O-N 3.16Å; Q698-A701 PolarHBondContact O-N 2.98Å; A701-I703 VanDerWaalsContact C-N 3.33Å; A701-I703 PolarHBondContact O-N 3.49Å; A701-H704 WeakPolarHBondContact O-CA 2.99Å; A701-H704 WeakPolarHBondContact O-CB 3.06Å; A701-H704 PolarHBondContact O-N 2.9Å; A701-Q705 PolarHBondContact O-N 3.43Å |
| 702 | V | 40.3 | Very low | 40 | Very low | 48 Ų | 48 | 104.9 Ų | 104.9 | 29% | 0.291 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.4 | -44.2 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 110.8 | Q698 H704 Q705 V706 | Q698-V702 WeakPolarHBondContact O-CG2 3.43Å; Q698-V702 PolarHBondContact O-N 3.06Å; V702-H704 VanDerWaalsContact C-N 3.26Å; V702-H704 PolarHBondContact O-N 2.81Å; V702-Q705 PolarHBondContact O-N 3.34Å; V702-V706 HydrophobicContact CG1-CG2 4.5Å; V702-V706 WeakPolarHBondContact O-CG2 3.43Å; V702-V706 PolarHBondContact O-N 3.28Å |
| 703 | I | 39.5 | Very low | 39.5 | Very low | 78 Ų | 78 | 99.1 Ų | 99.1 | 40% | 0.4 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.2 | -32.6 | 175.6 | -69.2 | 166.6 | 0 | 0 | 0 | 111.7 | K699 A701 K707 | K699-I703 WeakPolarHBondContact O-CB 3.44Å; K699-I703 WeakPolarHBondContact O-CD1 3.17Å; K699-I703 WeakPolarHBondContact O-CG1 3.37Å; K699-I703 PolarHBondContact O-N 3.15Å; A701-I703 VanDerWaalsContact C-N 3.33Å; A701-I703 PolarHBondContact O-N 3.49Å; I703-K707 WeakPolarHBondContact O-CB 3.39Å; I703-K707 PolarHBondContact O-N 3.26Å; I703-K707 VanDerWaalsContact O-N 3.08Å |
| 704 | H | 36.2 | Very low | 39.3 | Very low | 114 Ų | 114 | 104.7 Ų | 104.7 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -75.4 | -34.2 | 175.5 | -105.8 | 92.7 | 0 | 0 | 0 | 114 | V700 A701 V702 K708 | V700-H704 WeakPolarHBondContact O-CB 3.34Å; V700-H704 PolarHBondContact O-N 2.81Å; A701-H704 WeakPolarHBondContact O-CA 2.99Å; A701-H704 WeakPolarHBondContact O-CB 3.06Å; A701-H704 PolarHBondContact O-N 2.9Å; V702-H704 VanDerWaalsContact C-N 3.26Å; V702-H704 PolarHBondContact O-N 2.81Å; H704-K708 WeakPolarHBondContact O-CB 3.44Å; H704-K708 PolarHBondContact O-N 3.25Å; H704-K708 VanDerWaalsContact O-N 3.13Å |
| 705 | Q | 42.9 | Very low | 39.1 | Very low | 85 Ų | 85 | 105.3 Ų | 105.3 | 40% | 0.397 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.7 | -51 | 173.2 | -73.7 | 172 | -59.1 | 0 | 0 | 110.3 | A701 V702 K707 K708 E709 | A701-Q705 PolarHBondContact O-N 3.43Å; V702-Q705 PolarHBondContact O-N 3.34Å; Q705-K707 PolarHBondContact O-N 3.04Å; Q705-K708 WeakPolarHBondContact O-CA 3.45Å; Q705-K708 PolarHBondContact O-N 3.5Å; Q705-E709 PolarHBondContact O-N 3.35Å |
| 706 | V | 41.2 | Very low | 39.4 | Very low | 55 Ų | 55 | 107.6 Ų | 107.6 | 33% | 0.333 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58 | -34.4 | 175.5 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | V702 | V702-V706 HydrophobicContact CG1-CG2 4.5Å; V702-V706 WeakPolarHBondContact O-CG2 3.43Å; V702-V706 PolarHBondContact O-N 3.28Å |
| 707 | K | 37.3 | Very low | 39.8 | Very low | 152 Ų | 152 | 107 Ų | 107 | 66% | 0.661 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -76 | -14.5 | 172.5 | -92.5 | -174.9 | 167.9 | 178.9 | 0 | 115.7 | I703 Q705 | I703-K707 WeakPolarHBondContact O-CB 3.39Å; I703-K707 PolarHBondContact O-N 3.26Å; I703-K707 VanDerWaalsContact O-N 3.08Å; Q705-K707 PolarHBondContact O-N 3.04Å |
| 708 | K | 38.6 | Very low | 40.7 | Very low | 175 Ų | 175 | 105.1 Ų | 105.1 | 76% | 0.761 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -96.5 | -32.4 | 177.1 | -89.2 | -176.2 | 170.5 | -178.8 | 0 | 113.2 | H704 Q705 L710 | H704-K708 WeakPolarHBondContact O-CB 3.44Å; H704-K708 PolarHBondContact O-N 3.25Å; H704-K708 VanDerWaalsContact O-N 3.13Å; Q705-K708 WeakPolarHBondContact O-CA 3.45Å; Q705-K708 PolarHBondContact O-N 3.5Å; K708-L710 VanDerWaalsContact C-N 3.31Å |
| 709 | E | 38.7 | Very low | 41.8 | Very low | 102 Ų | 102 | 103.5 Ų | 103.5 | 48% | 0.477 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.3 | -23.6 | 179.4 | -72.9 | 170.4 | -140.4 | 0 | 0 | 112.9 | Q705 P711 | Q705-E709 PolarHBondContact O-N 3.35Å; E709-P711 WeakPolarHBondContact O-CD 3.48Å |
| 710 | L | 37.4 | Very low | 43.5 | Very low | 73 Ų | 73 | 104.4 Ų | 104.4 | 38% | 0.382 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -72.8 | 119.9 | 172.9 | -79.2 | 164.5 | 0 | 0 | 0 | 111.2 | K708 Q712 | K708-L710 VanDerWaalsContact C-N 3.31Å; L710-Q712 PolarHBondContact O-N 3.23Å |
| 711 | P | 36.6 | Very low | 45.2 | Very low | 110 Ų | 110 | 103.2 Ų | 103.2 | 71% | 0.714 | 53% | 0.533 | S | S | * | . | trans | -59.5 | 132.7 | 171.7 | -21.7 | 33.7 | 0 | 0 | 0 | 110.5 | E709 G713 | E709-P711 WeakPolarHBondContact O-CD 3.48Å; P711-G713 PolarHBondContact O-N 3.18Å | ||
| 712 | Q | 36.6 | Very low | 46.9 | Very low | 205 Ų | 205 | 103.1 Ų | 103.1 | 96% | 0.958 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -74.3 | 75 | -179.3 | -67.9 | -174.9 | -9.3 | 0 | 0 | 111.3 | L710 | L710-Q712 PolarHBondContact O-N 3.23Š|
| 713 | G | 36.9 | Very low | 47.9 | Very low | 56 Ų | 56 | 105.1 Ų | 105.1 | 58% | 0.577 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -167.6 | 92.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P711 | P711-G713 PolarHBondContact O-N 3.18Š|
| 714 | R | 39.8 | Very low | 49 | Very low | 256 Ų | 256 | 106.8 Ų | 106.8 | 97% | 0.966 | 55% | 0.548 | S | S | * | . | S | Bend | trans | 64.1 | 66.4 | 160.4 | -55.9 | 177.6 | 173.7 | 177.8 | -3.2 | 118 | ||
| 715 | S | 41.5 | Very low | 50.7 | Low | 66 Ų | 66 | 101.5 Ų | 101.5 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | trans | -152.3 | 14.5 | 168 | 59.7 | 0 | 0 | 0 | 0 | 116.8 | D717 | S715-D717 VanDerWaalsContact C-N 3.29Å; S715-D717 PolarHBondContact O-N 3.49Å | ||
| 716 | S | 48.9 | Very low | 52.6 | Low | 101 Ų | 101 | 98.6 Ų | 98.6 | 71% | 0.706 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.6 | -171 | 43.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 717 | D | 49.9 | Very low | 54.6 | Low | 120 Ų | 120 | 96 Ų | 96 | 64% | 0.642 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -3.1 | -159.2 | -63.4 | 20.1 | 0 | 0 | 0 | 114 | S715 | S715-D717 VanDerWaalsContact C-N 3.29Å; S715-D717 PolarHBondContact O-N 3.49Å |
| 718 | Y | 57.2 | Low | 57 | Low | 93 Ų | 93 | 90.4 Ų | 90.4 | 37% | 0.365 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -117.3 | -6.7 | -173.5 | -65.8 | -87 | 0 | 0 | 0 | 114.3 | T730 R734 | Y718-T730 PolarHBondContact O-N 3Å; Y718-T730 VanDerWaalsContact O-N 3.09Å; Y718-R734 HydrophobicContact CE1-CG 3.99Å; Y718-R734 PolarHBondContact OH-NE 3.42Å; Y718-R734 PolarHBondContact OH-NH2 2.87Å |
| 719 | Q | 65.3 | Low | 59.2 | Low | 51 Ų | 51 | 82.7 Ų | 82.7 | 24% | 0.238 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 123.5 | -171.8 | -176.4 | -178 | 6.2 | 0 | 0 | 110.9 | Y956 | Q719-Y956 VanDerWaalsContact NE2-CD1 3.34Å; Q719-Y956 VanDerWaalsContact NE2-CG 3.34Å |
| 720 | H | 74.5 | Confident | 61.4 | Low | 116 Ų | 116 | 79.4 Ų | 79.4 | 54% | 0.537 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.9 | 170.8 | -163 | -96 | 0 | 0 | 0 | 110.7 | D722 V727 T728 | H720-D722 IonicContact CE1-OD1 3.67Å; H720-D722 PolarHBondContact CE1-OD1 3.49Å; H720-D722 IonicContact ND1-OD1 3.64Å; H720-D722 PolarHBondContact ND1-OD1 3.4Å; H720-V727 WeakPolarHBondContact O-CA 3.4Å; H720-T728 PolarHBondContact N-O 2.88Å; H720-T728 PolarHBondContact O-N 2.84Å |
| 721 | V | 72.8 | Confident | 63.6 | Low | 60 Ų | 60 | 75.9 Ų | 75.9 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 114.5 | 178.6 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | V727 A960 | V721-V727 HydrophobicContact CG1-CG2 4.23Å; V721-V727 HydrophobicContact CG2-CG1 4.4Å; V721-V727 HydrophobicContact CG2-CG2 4.18Å; V721-A960 HydrophobicContact CG1-CB 4.23Å |
| 722 | D | 72.4 | Confident | 65.6 | Low | 50 Ų | 50 | 75.2 Ų | 75.2 | 27% | 0.267 | 41% | 0.406 | S | S | . | . | trans | -79 | 152.3 | -177.2 | -64.9 | -15.1 | 0 | 0 | 0 | 111.3 | H720 D724 G725 L726 | H720-D722 IonicContact CE1-OD1 3.67Å; H720-D722 PolarHBondContact CE1-OD1 3.49Å; H720-D722 IonicContact ND1-OD1 3.64Å; H720-D722 PolarHBondContact ND1-OD1 3.4Å; D722-D724 PolarHBondContact O-N 3.38Å; D722-G725 PolarHBondContact O-N 3.12Å; D722-L726 HydrophobicContact CB-CB 4.17Å; D722-L726 PolarHBondContact N-O 3.44Å | ||
| 723 | P | 61.3 | Low | 67.5 | Low | 90 Ų | 90 | 68 Ų | 68 | 58% | 0.584 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -6.1 | 178.5 | 27.6 | -36.3 | 0 | 0 | 0 | 114.7 | K699 | K699-P723 PolarHBondContact NZ-O 3.23Š|
| 724 | D | 63 | Low | 69.5 | Low | 112 Ų | 112 | 72 Ų | 72 | 60% | 0.599 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 11.6 | 171.2 | -71.9 | -34 | 0 | 0 | 0 | 113.7 | K699 D722 | K699-D724 IonicContact NZ-OD1 2.85Å; K699-D724 PolarHBondContact NZ-OD1 3.41Å; D722-D724 PolarHBondContact O-N 3.38Å |
| 725 | G | 71.1 | Confident | 71.3 | Confident | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 77.2 | 22.1 | 172 | 0 | 0 | 0 | 0 | 0 | 114.8 | D722 | D722-G725 PolarHBondContact O-N 3.12Š|
| 726 | L | 82.8 | Confident | 73.2 | Confident | 24 Ų | 24 | 59 Ų | 59 | 13% | 0.126 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 127.9 | 163.6 | -176.7 | 64.7 | 0 | 0 | 0 | 108.6 | D722 C739 R741 E887 | D722-L726 HydrophobicContact CB-CB 4.17Å; D722-L726 PolarHBondContact N-O 3.44Å; L726-C739 HydrophobicContact CD1-CB 4.05Å; L726-C739 HydrophobicContact CG-CB 4.45Å; L726-R741 HydrophobicContact CD1-CB 4.13Å; L726-E887 HydrophobicContact CD1-CB 4.41Å; L726-E887 HydrophobicContact CD1-CG 4.26Å; L726-E887 WeakPolarHBondContact CD1-OE2 3.47Å |
| 727 | V | 84.9 | Confident | 75 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.1 | 175.1 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | H720 V721 C739 V740 A957 | H720-V727 WeakPolarHBondContact O-CA 3.4Å; V721-V727 HydrophobicContact CG1-CG2 4.23Å; V721-V727 HydrophobicContact CG2-CG1 4.4Å; V721-V727 HydrophobicContact CG2-CG2 4.18Å; V727-C739 CarbonylContact O-C 3.53Å; V727-C739 VanDerWaalsContact O-CA 3.24Å; V727-C739 WeakPolarHBondContact O-CA 3.48Å; V727-V740 PolarHBondContact N-O 2.86Å; V727-V740 PolarHBondContact O-N 3.28Å; V727-A957 HydrophobicContact CB-CB 4.42Å; V727-A957 HydrophobicContact CG2-CB 3.96Å |
| 728 | T | 86.4 | Confident | 76.8 | Confident | 36 Ų | 36 | 50 Ų | 50 | 22% | 0.221 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 124.8 | 169.3 | -59.4 | 0 | 0 | 0 | 0 | 108.7 | H720 T737 C739 | H720-T728 PolarHBondContact N-O 2.88Å; H720-T728 PolarHBondContact O-N 2.84Å; T728-T737 HydrophobicContact CG2-CG2 3.68Å; T728-C739 PolarHBondContact OG1-SG 3.3Å |
| 729 | L | 85.9 | Confident | 78.3 | Confident | 12 Ų | 12 | 46 Ų | 46 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 127.3 | 179 | -166.1 | 154.1 | 0 | 0 | 0 | 109.5 | V738 A949 E952 A953 Y956 | L729-V738 PolarHBondContact N-O 3.35Å; L729-V738 PolarHBondContact O-N 3.12Å; L729-A949 HydrophobicContact CD2-CB 3.64Å; L729-E952 HydrophobicContact CD1-CB 3.74Å; L729-A953 HydrophobicContact CB-CB 4.2Å; L729-A953 HydrophobicContact CD1-CB 4.49Å; L729-Y956 HydrophobicContact CD1-CD2 4.05Å; L729-Y956 HydrophobicContact CD1-CE2 4.1Å |
| 730 | T | 84.3 | Confident | 79.5 | Confident | 33 Ų | 33 | 43.5 Ų | 43.5 | 20% | 0.202 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 131.9 | 178.3 | -63.8 | 0 | 0 | 0 | 0 | 109.4 | Y718 R734 T737 | Y718-T730 PolarHBondContact O-N 3Å; Y718-T730 VanDerWaalsContact O-N 3.09Å; T730-R734 HydrophobicContact CG2-CB 4.23Å; T730-R734 HydrophobicContact CG2-CG 4.2Å; T730-T737 WeakPolarHBondContact CG2-OG1 3.31Å; T730-T737 WeakPolarHBondContact OG1-CG2 3.46Å; T730-T737 PolarHBondContact OG1-OG1 3.37Å |
| 731 | T | 83.3 | Confident | 80.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -56.5 | 152.3 | 177.2 | 43 | 0 | 0 | 0 | 0 | 112.4 | N733 R734 A736 Q945 A949 | T731-N733 WeakPolarHBondContact CB-OD1 3.24Å; T731-N733 PolarHBondContact O-N 2.77Å; T731-N733 PolarHBondContact OG1-OD1 3.12Å; T731-R734 WeakPolarHBondContact O-CA 3.19Å; T731-R734 PolarHBondContact O-N 2.7Å; T731-A736 WeakPolarHBondContact CB-O 3.46Å; T731-A736 HydrophobicContact CG2-CB 4.08Å; T731-A736 PolarHBondContact N-O 3.33Å; T731-A736 PolarHBondContact OG1-N 3.49Å; T731-A736 PolarHBondContact OG1-O 3.19Å; T731-Q945 HydrophobicContact CG2-CB 4.45Å; T731-A949 HydrophobicContact CG2-CB 3.71Å | ||
| 732 | P | 78.8 | Confident | 80.9 | Confident | 96 Ų | 96 | 38.4 Ų | 38.4 | 62% | 0.623 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -31.4 | -176.4 | -26.2 | 35.6 | 0 | 0 | 0 | 114.3 | R734 | P732-R734 VanDerWaalsContact C-N 3.28Š|
| 733 | N | 77.1 | Confident | 81.7 | Confident | 53 Ų | 53 | 38.2 Ų | 38.2 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -2.3 | 174.5 | 67.1 | 4.4 | 0 | 0 | 0 | 114 | T731 L735 Q945 | T731-N733 WeakPolarHBondContact CB-OD1 3.24Å; T731-N733 PolarHBondContact O-N 2.77Å; T731-N733 PolarHBondContact OG1-OD1 3.12Å; N733-L735 HydrophobicContact CB-CG 4.25Å; N733-L735 PolarHBondContact O-N 3.03Å; N733-L735 VanDerWaalsContact O-N 3.13Å; N733-L735 PolarHBondContact OD1-N 3.28Å; N733-Q945 PolarHBondContact ND2-OE1 2.89Å |
| 734 | R | 77.8 | Confident | 83 | Confident | 141 Ų | 141 | 34.8 Ų | 34.8 | 53% | 0.532 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 61.1 | 4.8 | -175 | -55.8 | -178.4 | 179.5 | -157.6 | -6.9 | 116.2 | Y718 T730 T731 P732 A736 | Y718-R734 HydrophobicContact CE1-CG 3.99Å; Y718-R734 PolarHBondContact OH-NE 3.42Å; Y718-R734 PolarHBondContact OH-NH2 2.87Å; T730-R734 HydrophobicContact CG2-CB 4.23Å; T730-R734 HydrophobicContact CG2-CG 4.2Å; T731-R734 WeakPolarHBondContact O-CA 3.19Å; T731-R734 PolarHBondContact O-N 2.7Å; P732-R734 VanDerWaalsContact C-N 3.28Å; R734-A736 VanDerWaalsContact C-N 3.31Å; R734-A736 PolarHBondContact O-N 3.38Å |
| 735 | L | 77.7 | Confident | 84.2 | Confident | 46 Ų | 46 | 30.3 Ų | 30.3 | 24% | 0.241 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -76 | -15.6 | -176.3 | -60.5 | -175.2 | 0 | 0 | 0 | 114 | N733 V891 E892 V894 V942 | N733-L735 HydrophobicContact CB-CG 4.25Å; N733-L735 PolarHBondContact O-N 3.03Å; N733-L735 VanDerWaalsContact O-N 3.13Å; N733-L735 PolarHBondContact OD1-N 3.28Å; L735-V891 CarbonylContact O-C 3.48Å; L735-V891 WeakPolarHBondContact O-CA 3.28Å; L735-E892 PolarHBondContact O-N 3.13Å; L735-V894 HydrophobicContact CD2-CG2 3.76Å; L735-V942 HydrophobicContact CD1-CG2 4.04Å |
| 736 | A | 81.4 | Confident | 85 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 2% | 0.017 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 138.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T731 R734 D890 V891 L946 | T731-A736 WeakPolarHBondContact CB-O 3.46Å; T731-A736 HydrophobicContact CG2-CB 4.08Å; T731-A736 PolarHBondContact N-O 3.33Å; T731-A736 PolarHBondContact OG1-N 3.49Å; T731-A736 PolarHBondContact OG1-O 3.19Å; R734-A736 VanDerWaalsContact C-N 3.31Å; R734-A736 PolarHBondContact O-N 3.38Å; A736-D890 CarbonylContact C-O 3.58Å; A736-D890 VanDerWaalsContact CA-O 3.3Å; A736-D890 WeakPolarHBondContact CA-O 3.33Å; A736-V891 HydrophobicContact CB-CG2 4.06Å; A736-L946 HydrophobicContact CB-CD1 4.23Å |
| 737 | T | 86.2 | Confident | 85 | Confident | 32 Ų | 32 | 36.6 Ų | 36.6 | 20% | 0.196 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 135.4 | 174 | -62.9 | 0 | 0 | 0 | 0 | 110 | T728 T730 W889 D890 | T728-T737 HydrophobicContact CG2-CG2 3.68Å; T730-T737 WeakPolarHBondContact CG2-OG1 3.31Å; T730-T737 WeakPolarHBondContact OG1-CG2 3.46Å; T730-T737 PolarHBondContact OG1-OG1 3.37Å; T737-W889 WeakPolarHBondContact O-CA 3.32Å; T737-D890 PolarHBondContact N-O 2.73Å; T737-D890 PolarHBondContact O-N 3.18Å |
| 738 | V | 87.9 | Confident | 85 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 135.4 | -176.1 | -169.8 | 0 | 0 | 0 | 0 | 110 | L729 V740 V886 L946 M950 | L729-V738 PolarHBondContact N-O 3.35Å; L729-V738 PolarHBondContact O-N 3.12Å; V738-V740 HydrophobicContact CG1-CG2 3.9Å; V738-V886 HydrophobicContact CG1-CG1 4.14Å; V738-L946 HydrophobicContact CG2-CD1 3.64Å; V738-M950 HydrophobicContact CG1-SD 4.07Å |
| 739 | C | 88.9 | Confident | 85.1 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.5 | 175.4 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | L726 V727 T728 V886 E887 R888 | L726-C739 HydrophobicContact CD1-CB 4.05Å; L726-C739 HydrophobicContact CG-CB 4.45Å; V727-C739 CarbonylContact O-C 3.53Å; V727-C739 VanDerWaalsContact O-CA 3.24Å; V727-C739 WeakPolarHBondContact O-CA 3.48Å; T728-C739 PolarHBondContact OG1-SG 3.3Å; C739-V886 WeakPolarHBondContact O-CA 3.2Å; C739-E887 PolarHBondContact O-N 2.8Å; C739-R888 HydrophobicContact CB-CB 3.86Å; C739-R888 PolarHBondContact N-O 3.42Å |
| 740 | V | 90.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 137.3 | -173.7 | -178.6 | 0 | 0 | 0 | 0 | 111.4 | V727 V738 F884 S885 V886 M950 A953 A957 | V727-V740 PolarHBondContact N-O 2.86Å; V727-V740 PolarHBondContact O-N 3.28Å; V738-V740 HydrophobicContact CG1-CG2 3.9Å; V740-F884 HydrophobicContact CG1-CB 4.38Å; V740-F884 HydrophobicContact CG1-CD1 3.84Å; V740-S885 WeakPolarHBondContact CA-O 3.35Å; V740-V886 HydrophobicContact CG2-CG2 4.47Å; V740-M950 HydrophobicContact CG2-CE 4.18Å; V740-M950 HydrophobicContact CG2-SD 3.81Å; V740-A953 HydrophobicContact CB-CB 4.18Å; V740-A953 HydrophobicContact CG2-CB 3.75Å; V740-A957 HydrophobicContact CB-CB 4.47Å; V740-A957 HydrophobicContact CG1-CB 4.06Å |
| 741 | R | 88.8 | Confident | 85.2 | Confident | 66 Ų | 66 | 43.2 Ų | 43.2 | 25% | 0.249 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135.8 | 169.3 | -174.6 | -179.5 | -60.4 | 137.5 | 6.8 | 110.8 | L726 I743 F884 S885 E887 | L726-R741 HydrophobicContact CD1-CB 4.13Å; R741-I743 HydrophobicContact CG-CG1 4.32Å; R741-F884 WeakPolarHBondContact O-CA 3.06Å; R741-S885 PolarHBondContact N-O 3.3Å; R741-S885 PolarHBondContact O-N 3.04Å; R741-E887 IonicContact CZ-OE1 3.72Å; R741-E887 VanDerWaalsContact CZ-OE1 3.26Å; R741-E887 IonicContact CZ-OE2 2.72Å; R741-E887 IonicContact NH1-OE1 2.81Å; R741-E887 PolarHBondContact NH1-OE1 3.24Å; R741-E887 IonicContact NH1-OE2 2.68Å; R741-E887 PolarHBondContact NH1-OE2 3.25Å; R741-E887 IonicContact NH2-OE1 3.11Å; R741-E887 IonicContact NH2-OE2 3.14Å; R741-E887 PolarHBondContact NH2-OE2 3.47Å |
| 742 | A | 89.3 | Confident | 85.4 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 140.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V882 C883 F884 A957 Q961 | A742-V882 HydrophobicContact CB-CG1 4.24Å; A742-C883 CarbonylContact C-O 3.57Å; A742-C883 WeakPolarHBondContact CA-O 3.46Å; A742-F884 HydrophobicContact CB-CD1 4.12Å; A742-F884 HydrophobicContact CB-CE1 3.83Å; A742-F884 HydrophobicContact CB-CZ 4.43Å; A742-A957 HydrophobicContact CB-CB 4.21Å; A742-A957 WeakPolarHBondContact CB-O 3.41Å; A742-Q961 HydrophobicContact CB-CG 4.4Å |
| 743 | I | 88.3 | Confident | 85.8 | Confident | 47 Ų | 47 | 40 Ų | 40 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 132.1 | -178.1 | -53.1 | 177.7 | 0 | 0 | 0 | 108.8 | R741 W802 C883 | R741-I743 HydrophobicContact CG-CG1 4.32Å; I743-W802 HydrophobicContact CB-CH2 4.44Å; I743-W802 HydrophobicContact CG2-CH2 3.97Å; I743-W802 HydrophobicContact CG2-CZ2 3.7Å; I743-C883 HydrophobicContact CB-CB 4.27Å; I743-C883 PolarHBondContact N-O 2.77Å; I743-C883 WeakPolarHBondContact O-CB 3.46Å; I743-C883 PolarHBondContact O-N 2.96Å |
| 744 | P | 88.8 | Confident | 86.1 | Confident | 17 Ų | 17 | 40.8 Ų | 40.8 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 133 | 175.6 | 29.5 | -35 | 0 | 0 | 0 | 112.2 | V681 R683 | V681-P744 HydrophobicContact CB-CB 4.39Å; V681-P744 HydrophobicContact CG1-CB 4.24Å; V681-P744 HydrophobicContact CG1-CG 4.32Å; V681-P744 WeakPolarHBondContact O-CB 3.44Å; R683-P744 HydrophobicContact CG-CG 3.66Å |
| 745 | L | 88.8 | Confident | 86.4 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 9% | 0.094 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 159.5 | 170.5 | -86.6 | 81.1 | 0 | 0 | 0 | 111.4 | V749 L753 W802 I821 G881 C883 | L745-V749 HydrophobicContact CD2-CB 4.2Å; L745-V749 HydrophobicContact CD2-CG1 3.78Å; L745-L753 HydrophobicContact CD2-CD1 4.05Å; L745-W802 HydrophobicContact CG-CH2 4.46Å; L745-I821 HydrophobicContact CD2-CD1 4.02Å; L745-I821 HydrophobicContact CD2-CG1 4.3Å; L745-G881 WeakPolarHBondContact CB-O 3.31Å; L745-G881 PolarHBondContact N-O 3.14Å; L745-C883 HydrophobicContact CD1-CB 3.55Å |
| 746 | P | 87.1 | Confident | 86.7 | Confident | 30 Ų | 30 | 44.1 Ų | 44.1 | 20% | 0.195 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -62.1 | 145.4 | 157.6 | -16.8 | 31.2 | 0 | 0 | 0 | 111.6 | E748 V749 T750 L797 | P746-E748 VanDerWaalsContact C-N 3.3Å; P746-E748 PolarHBondContact O-N 2.8Å; P746-V749 HydrophobicContact CB-CG2 4.1Å; P746-V749 HydrophobicContact CG-CG2 4Å; P746-V749 PolarHBondContact O-N 2.99Å; P746-T750 PolarHBondContact O-N 3.42Å; P746-T750 VanDerWaalsContact O-N 3.15Å; P746-T750 PolarHBondContact O-OG1 3.36Å; P746-L797 HydrophobicContact CG-CD2 4.42Å |
| 747 | Q | 83.1 | Confident | 86.7 | Confident | 130 Ų | 130 | 45.6 Ų | 45.6 | 61% | 0.607 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -62.2 | -38.3 | 177.5 | -171.7 | 173.7 | 0.1 | 0 | 0 | 111.8 | V749 T750 V751 | Q747-V749 PolarHBondContact O-N 3.15Å; Q747-T750 WeakPolarHBondContact O-CB 3.38Å; Q747-T750 PolarHBondContact O-N 2.9Å; Q747-T750 VanDerWaalsContact O-N 3.1Å; Q747-V751 WeakPolarHBondContact O-CG2 3.3Å; Q747-V751 PolarHBondContact O-N 3.33Å |
| 748 | E | 85.6 | Confident | 86.2 | Confident | 132 Ų | 132 | 48.8 Ų | 48.8 | 62% | 0.617 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -55.9 | -46.9 | 176.1 | -66.1 | 157.7 | -170.1 | 0 | 0 | 112.5 | P746 T750 V751 L752 L796 | P746-E748 VanDerWaalsContact C-N 3.3Å; P746-E748 PolarHBondContact O-N 2.8Å; E748-T750 VanDerWaalsContact C-N 3.33Å; E748-T750 PolarHBondContact O-N 3.48Å; E748-V751 PolarHBondContact O-N 2.95Å; E748-L752 WeakPolarHBondContact O-CB 3.28Å; E748-L752 PolarHBondContact O-N 2.75Å; E748-L796 HydrophobicContact CB-CD1 4.31Å; E748-L796 HydrophobicContact CB-CD2 4.23Å |
| 749 | V | 87.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66 | -38.8 | 176.2 | -175.6 | 0 | 0 | 0 | 0 | 110.6 | L745 P746 Q747 L752 L753 L793 L796 L797 | L745-V749 HydrophobicContact CD2-CB 4.2Å; L745-V749 HydrophobicContact CD2-CG1 3.78Å; P746-V749 HydrophobicContact CB-CG2 4.1Å; P746-V749 HydrophobicContact CG-CG2 4Å; P746-V749 PolarHBondContact O-N 2.99Å; Q747-V749 PolarHBondContact O-N 3.15Å; V749-L752 PolarHBondContact O-N 3.31Å; V749-L753 HydrophobicContact CG1-CD1 4.22Å; V749-L753 HydrophobicContact CG1-CG 4.41Å; V749-L753 VanDerWaalsContact O-CG 3.31Å; V749-L753 WeakPolarHBondContact O-CG 3.46Å; V749-L753 PolarHBondContact O-N 2.89Å; V749-L793 HydrophobicContact CG1-CG 4.37Å; V749-L796 HydrophobicContact CG2-CB 3.58Å; V749-L796 HydrophobicContact CG2-CD1 3.87Å; V749-L796 HydrophobicContact CG2-CG 4.37Å; V749-L797 HydrophobicContact CG2-CD2 4.04Å; V749-L797 HydrophobicContact CG2-CG 4.48Å |
| 750 | T | 87.3 | Confident | 85.6 | Confident | 12 Ų | 12 | 50.4 Ų | 50.4 | 7% | 0.074 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 179.1 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | P746 Q747 E748 L753 E754 P819 M880 | P746-T750 PolarHBondContact O-N 3.42Å; P746-T750 VanDerWaalsContact O-N 3.15Å; P746-T750 PolarHBondContact O-OG1 3.36Å; Q747-T750 WeakPolarHBondContact O-CB 3.38Å; Q747-T750 PolarHBondContact O-N 2.9Å; Q747-T750 VanDerWaalsContact O-N 3.1Å; E748-T750 VanDerWaalsContact C-N 3.33Å; E748-T750 PolarHBondContact O-N 3.48Å; T750-L753 PolarHBondContact O-N 2.91Å; T750-E754 PolarHBondContact O-N 2.87Å; T750-P819 HydrophobicContact CG2-CB 4.03Å; T750-M880 HydrophobicContact CG2-CE 4.04Å; T750-M880 HydrophobicContact CG2-CG 3.89Å |
| 751 | V | 86.6 | Confident | 85.2 | Confident | 75 Ų | 75 | 55.6 Ų | 55.6 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 175.4 | 173 | 0 | 0 | 0 | 0 | 111.6 | Q747 E748 L753 E754 R755 | Q747-V751 WeakPolarHBondContact O-CG2 3.3Å; Q747-V751 PolarHBondContact O-N 3.33Å; E748-V751 PolarHBondContact O-N 2.95Å; V751-L753 VanDerWaalsContact C-N 3.33Å; V751-L753 PolarHBondContact O-N 2.78Å; V751-E754 PolarHBondContact O-N 3.05Å; V751-R755 WeakPolarHBondContact O-CB 3.44Å; V751-R755 PolarHBondContact O-N 3.34Å |
| 752 | L | 86.7 | Confident | 84.6 | Confident | 28 Ų | 28 | 53.2 Ų | 53.2 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 176 | 174.3 | 144.5 | 0 | 0 | 0 | 112.4 | E748 V749 N756 L789 H792 L793 L796 | E748-L752 WeakPolarHBondContact O-CB 3.28Å; E748-L752 PolarHBondContact O-N 2.75Å; V749-L752 PolarHBondContact O-N 3.31Å; L752-N756 WeakPolarHBondContact O-CB 3.47Å; L752-N756 PolarHBondContact O-N 3.02Å; L752-N756 PolarHBondContact O-ND2 2.71Å; L752-L789 HydrophobicContact CD2-CD1 3.71Å; L752-L789 HydrophobicContact CG-CD1 4.33Å; L752-H792 HydrophobicContact CD1-CB 3.77Å; L752-L793 HydrophobicContact CD2-CD1 4.46Å; L752-L796 HydrophobicContact CD1-CD1 3.97Å |
| 753 | L | 87.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.3 | -41.5 | 174 | -68.5 | 172.4 | 0 | 0 | 0 | 112.1 | L745 V749 T750 V751 N756 S757 I760 L793 F812 P819 I821 | L745-L753 HydrophobicContact CD2-CD1 4.05Å; V749-L753 HydrophobicContact CG1-CD1 4.22Å; V749-L753 HydrophobicContact CG1-CG 4.41Å; V749-L753 VanDerWaalsContact O-CG 3.31Å; V749-L753 WeakPolarHBondContact O-CG 3.46Å; V749-L753 PolarHBondContact O-N 2.89Å; T750-L753 PolarHBondContact O-N 2.91Å; V751-L753 VanDerWaalsContact C-N 3.33Å; V751-L753 PolarHBondContact O-N 2.78Å; L753-N756 PolarHBondContact O-N 3.24Å; L753-S757 PolarHBondContact O-N 2.86Å; L753-S757 VanDerWaalsContact O-N 3.12Å; L753-I760 HydrophobicContact CB-CD1 4.47Å; L753-I760 HydrophobicContact CD2-CD1 3.69Å; L753-L793 HydrophobicContact CD2-CD1 3.89Å; L753-F812 HydrophobicContact CD2-CD1 3.99Å; L753-F812 HydrophobicContact CD2-CE1 3.61Å; L753-F812 HydrophobicContact CD2-CZ 4.43Å; L753-P819 HydrophobicContact CB-CB 4.03Å; L753-I821 HydrophobicContact CD1-CD1 4.18Å; L753-I821 HydrophobicContact CD1-CG1 4.09Å |
| 754 | E | 84.3 | Confident | 83.8 | Confident | 71 Ų | 71 | 52.5 Ų | 52.5 | 33% | 0.332 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 177.8 | -172.3 | 165.9 | -141.2 | 0 | 0 | 111.4 | T750 V751 N756 S757 M880 | T750-E754 PolarHBondContact O-N 2.87Å; V751-E754 PolarHBondContact O-N 3.05Å; E754-N756 VanDerWaalsContact C-N 3.28Å; E754-N756 PolarHBondContact O-N 3Å; E754-S757 WeakPolarHBondContact O-CB 3.41Å; E754-S757 PolarHBondContact O-N 3.39Å; E754-S757 PolarHBondContact O-OG 2.96Å; E754-M880 VanDerWaalsContact OE2-CE 3.23Å; E754-M880 WeakPolarHBondContact OE2-CE 3.39Å |
| 755 | R | 82.6 | Confident | 83.2 | Confident | 217 Ų | 217 | 56.3 Ų | 56.3 | 82% | 0.819 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60 | -33.4 | 177.3 | -177.3 | 174.6 | 177.2 | 177.7 | -1.1 | 113.5 | V751 | V751-R755 WeakPolarHBondContact O-CB 3.44Å; V751-R755 PolarHBondContact O-N 3.34Å |
| 756 | N | 84.1 | Confident | 82.4 | Confident | 39 Ų | 39 | 56.6 Ų | 56.6 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 15.4 | -175.2 | -64.4 | -57.9 | 0 | 0 | 0 | 113.6 | L752 L753 E754 E758 L759 I760 L789 | L752-N756 WeakPolarHBondContact O-CB 3.47Å; L752-N756 PolarHBondContact O-N 3.02Å; L752-N756 PolarHBondContact O-ND2 2.71Å; L753-N756 PolarHBondContact O-N 3.24Å; E754-N756 VanDerWaalsContact C-N 3.28Å; E754-N756 PolarHBondContact O-N 3Å; N756-E758 PolarHBondContact O-N 2.67Å; N756-L759 HydrophobicContact CB-CD1 4.36Å; N756-L759 WeakPolarHBondContact O-CA 3.37Å; N756-L759 WeakPolarHBondContact O-CB 3.33Å; N756-L759 PolarHBondContact O-N 3.14Å; N756-I760 PolarHBondContact O-N 3.16Å; N756-L789 HydrophobicContact CB-CD1 3.79Å; N756-L789 HydrophobicContact CB-CD2 4.47Å |
| 757 | S | 81 | Confident | 81.9 | Confident | 34 Ų | 34 | 55.3 Ų | 55.3 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -53.8 | -40.8 | -175.7 | 47.4 | 0 | 0 | 0 | 0 | 114.7 | L753 E754 I760 R761 | L753-S757 PolarHBondContact O-N 2.86Å; L753-S757 VanDerWaalsContact O-N 3.12Å; E754-S757 WeakPolarHBondContact O-CB 3.41Å; E754-S757 PolarHBondContact O-N 3.39Å; E754-S757 PolarHBondContact O-OG 2.96Å; S757-I760 PolarHBondContact O-N 2.74Å; S757-R761 WeakPolarHBondContact O-CB 3.33Å; S757-R761 PolarHBondContact O-N 2.91Å |
| 758 | E | 76.3 | Confident | 81.4 | Confident | 98 Ų | 98 | 51.6 Ų | 51.6 | 46% | 0.458 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.6 | -25.3 | 175.6 | -69.5 | -66.8 | 162.5 | 0 | 0 | 113.6 | N756 R761 A762 | N756-E758 PolarHBondContact O-N 2.67Å; E758-R761 IonicContact OE1-CZ 2.66Å; E758-R761 IonicContact OE1-NH1 2.7Å; E758-R761 PolarHBondContact OE1-NH1 3.08Å; E758-R761 WeakPolarHBondContact OE2-CD 3.47Å; E758-R761 IonicContact OE2-CZ 3.94Å; E758-R761 IonicContact OE2-NE 3.19Å; E758-R761 IonicContact OE2-NH1 3.98Å; E758-R761 PolarHBondContact OE2-NH1 2.75Å; E758-A762 PolarHBondContact O-N 2.87Å |
| 759 | L | 80.8 | Confident | 80.7 | Confident | 41 Ų | 41 | 45.7 Ų | 45.7 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.2 | -41.3 | 170.8 | -66.5 | 174.4 | 0 | 0 | 0 | 111 | T383 N756 R761 A762 L763 A785 | T383-L759 HydrophobicContact CG2-CD2 4.01Å; N756-L759 HydrophobicContact CB-CD1 4.36Å; N756-L759 WeakPolarHBondContact O-CA 3.37Å; N756-L759 WeakPolarHBondContact O-CB 3.33Å; N756-L759 PolarHBondContact O-N 3.14Å; L759-R761 VanDerWaalsContact C-N 3.29Å; L759-R761 PolarHBondContact O-N 2.65Å; L759-A762 WeakPolarHBondContact O-CB 3.36Å; L759-A762 PolarHBondContact O-N 3.14Å; L759-L763 PolarHBondContact O-N 3.46Å; L759-A785 HydrophobicContact CD1-CB 4.48Å |
| 760 | I | 83.1 | Confident | 79.8 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -39.2 | 174.6 | -60.5 | 167.6 | 0 | 0 | 0 | 110.4 | L753 N756 S757 L763 E764 L789 F812 | L753-I760 HydrophobicContact CB-CD1 4.47Å; L753-I760 HydrophobicContact CD2-CD1 3.69Å; N756-I760 PolarHBondContact O-N 3.16Å; S757-I760 PolarHBondContact O-N 2.74Å; I760-L763 WeakPolarHBondContact O-CB 3.32Å; I760-L763 PolarHBondContact O-N 2.93Å; I760-E764 PolarHBondContact O-N 2.89Å; I760-L789 HydrophobicContact CG1-CD2 3.94Å; I760-F812 HydrophobicContact CG2-CB 4.06Å; I760-F812 HydrophobicContact CG2-CD2 3.37Å; I760-F812 HydrophobicContact CG2-CE2 3.94Å; I760-F812 HydrophobicContact CG2-CG 3.8Å |
| 761 | R | 81.4 | Confident | 78.8 | Confident | 109 Ų | 109 | 53.4 Ų | 53.4 | 41% | 0.411 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.1 | -39 | 173.5 | -169.4 | -164.7 | -170 | 173 | 7 | 112.5 | S757 E758 L759 L765 Y817 | S757-R761 WeakPolarHBondContact O-CB 3.33Å; S757-R761 PolarHBondContact O-N 2.91Å; E758-R761 IonicContact OE1-CZ 2.66Å; E758-R761 IonicContact OE1-NH1 2.7Å; E758-R761 PolarHBondContact OE1-NH1 3.08Å; E758-R761 WeakPolarHBondContact OE2-CD 3.47Å; E758-R761 IonicContact OE2-CZ 3.94Å; E758-R761 IonicContact OE2-NE 3.19Å; E758-R761 IonicContact OE2-NH1 3.98Å; E758-R761 PolarHBondContact OE2-NH1 2.75Å; L759-R761 VanDerWaalsContact C-N 3.29Å; L759-R761 PolarHBondContact O-N 2.65Å; R761-L765 WeakPolarHBondContact O-CB 3.4Å; R761-L765 PolarHBondContact O-N 2.89Å; R761-L765 VanDerWaalsContact O-N 3.09Å; R761-Y817 HydrophobicContact CB-CD1 4.36Å; R761-Y817 HydrophobicContact CB-CG 4.2Å; R761-Y817 HydrophobicContact CG-CD1 4.14Å; R761-Y817 HydrophobicContact CG-CG 4.46Å |
| 762 | A | 77 | Confident | 77.8 | Confident | 16 Ų | 16 | 54.4 Ų | 54.4 | 13% | 0.132 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.8 | -43 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E758 L759 E764 L765 M766 | E758-A762 PolarHBondContact O-N 2.87Å; L759-A762 WeakPolarHBondContact O-CB 3.36Å; L759-A762 PolarHBondContact O-N 3.14Å; A762-E764 PolarHBondContact O-N 2.9Å; A762-L765 PolarHBondContact O-N 3.08Å; A762-M766 WeakPolarHBondContact O-CG 3.2Å; A762-M766 PolarHBondContact O-N 3.23Å |
| 763 | L | 81.3 | Confident | 76.4 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.7 | -47.6 | 173.6 | 172.8 | 60.3 | 0 | 0 | 0 | 111.9 | L759 I760 L765 M766 N767 I786 V834 W835 C837 | L759-L763 PolarHBondContact O-N 3.46Å; I760-L763 WeakPolarHBondContact O-CB 3.32Å; I760-L763 PolarHBondContact O-N 2.93Å; L763-L765 PolarHBondContact O-N 3Å; L763-M766 PolarHBondContact O-N 3.09Å; L763-N767 WeakPolarHBondContact O-CB 3.35Å; L763-N767 PolarHBondContact O-N 3.14Å; L763-N767 PolarHBondContact O-ND2 2.8Å; L763-I786 HydrophobicContact CB-CD1 3.94Å; L763-I786 HydrophobicContact CD1-CD1 4.12Å; L763-I786 HydrophobicContact CD1-CG2 4.2Å; L763-I786 HydrophobicContact CD2-CG2 4.27Å; L763-V834 HydrophobicContact CD2-CG1 3.92Å; L763-V834 HydrophobicContact CG-CG1 4.34Å; L763-W835 HydrophobicContact CD2-CE3 4.09Å; L763-W835 HydrophobicContact CD2-CZ3 4.07Å; L763-C837 HydrophobicContact CD1-CB 4.12Å |
| 764 | E | 79.1 | Confident | 75 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 15% | 0.154 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.9 | -34 | 179 | -173.9 | 69.8 | 164.4 | 0 | 0 | 112.8 | I760 A762 N767 S768 R816 | I760-E764 PolarHBondContact O-N 2.89Å; A762-E764 PolarHBondContact O-N 2.9Å; E764-N767 PolarHBondContact O-N 3.26Å; E764-S768 PolarHBondContact O-N 3.08Å; E764-R816 HydrophobicContact CG-CB 3.96Å; E764-R816 WeakPolarHBondContact OE1-CD 3.39Å; E764-R816 IonicContact OE1-CZ 3.22Å; E764-R816 IonicContact OE1-NE 2.82Å; E764-R816 IonicContact OE1-NH1 3.63Å; E764-R816 PolarHBondContact OE1-NH1 3.38Å |
| 765 | L | 76.4 | Confident | 73.4 | Confident | 96 Ų | 96 | 65.5 Ų | 65.5 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 174.5 | -171.6 | 68.8 | 0 | 0 | 0 | 111.9 | R761 A762 L763 S768 S769 | R761-L765 WeakPolarHBondContact O-CB 3.4Å; R761-L765 PolarHBondContact O-N 2.89Å; R761-L765 VanDerWaalsContact O-N 3.09Å; A762-L765 PolarHBondContact O-N 3.08Å; L763-L765 PolarHBondContact O-N 3Å; L765-S768 PolarHBondContact O-N 3Å; L765-S769 WeakPolarHBondContact O-CB 3.33Å; L765-S769 PolarHBondContact O-N 2.64Å; L765-S769 PolarHBondContact O-OG 3.07Å |
| 766 | M | 73.1 | Confident | 72.1 | Confident | 24 Ų | 24 | 58.6 Ų | 58.6 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.7 | -45 | 172.4 | -67.3 | -174.3 | -61.3 | 0 | 0 | 110.9 | A762 L763 S768 S769 L770 I778 I782 I786 C837 | A762-M766 WeakPolarHBondContact O-CG 3.2Å; A762-M766 PolarHBondContact O-N 3.23Å; L763-M766 PolarHBondContact O-N 3.09Å; M766-S768 VanDerWaalsContact C-N 3.31Å; M766-S768 PolarHBondContact O-N 3.06Å; M766-S769 PolarHBondContact O-N 3.48Å; M766-L770 WeakPolarHBondContact O-CB 3.3Å; M766-L770 WeakPolarHBondContact O-CG 3.36Å; M766-L770 PolarHBondContact O-N 3.18Å; M766-I778 HydrophobicContact SD-CG2 3.98Å; M766-I782 HydrophobicContact CE-CG2 4.17Å; M766-I786 HydrophobicContact CE-CD1 3.57Å; M766-C837 VanDerWaalsContact CB-SG 3.59Å |
| 767 | N | 75.2 | Confident | 70.8 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.3 | -36.4 | 175.5 | -76.1 | -25.5 | 0 | 0 | 0 | 113.1 | L763 E764 R771 V834 C837 | L763-N767 WeakPolarHBondContact O-CB 3.35Å; L763-N767 PolarHBondContact O-N 3.14Å; L763-N767 PolarHBondContact O-ND2 2.8Å; E764-N767 PolarHBondContact O-N 3.26Å; N767-R771 WeakPolarHBondContact O-CD 3.34Å; N767-R771 WeakPolarHBondContact O-CG 3.41Å; N767-R771 PolarHBondContact O-N 3.48Å; N767-V834 PolarHBondContact ND2-O 2.98Å; N767-C837 PolarHBondContact OD1-SG 3.32Å |
| 768 | S | 73.1 | Confident | 69.8 | Low | 52 Ų | 52 | 64.4 Ų | 64.4 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.7 | -48.8 | 173 | -160.3 | 0 | 0 | 0 | 0 | 111.1 | E764 L765 M766 L770 R771 E772 | E764-S768 PolarHBondContact O-N 3.08Å; L765-S768 PolarHBondContact O-N 3Å; M766-S768 VanDerWaalsContact C-N 3.31Å; M766-S768 PolarHBondContact O-N 3.06Å; S768-L770 VanDerWaalsContact C-N 3.3Å; S768-L770 PolarHBondContact O-N 3.22Å; S768-R771 WeakPolarHBondContact O-CB 3.44Å; S768-R771 PolarHBondContact O-N 2.79Å; S768-E772 WeakPolarHBondContact O-CG 3.49Å; S768-E772 PolarHBondContact O-N 2.93Å; S768-E772 PolarHBondContact OG-OE1 3.06Å |
| 769 | S | 71.4 | Confident | 69.2 | Low | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.9 | -40.6 | -178.6 | -54.3 | 0 | 0 | 0 | 0 | 112.4 | L765 M766 E772 G773 R774 M776 | L765-S769 WeakPolarHBondContact O-CB 3.33Å; L765-S769 PolarHBondContact O-N 2.64Å; L765-S769 PolarHBondContact O-OG 3.07Å; M766-S769 PolarHBondContact O-N 3.48Å; S769-E772 CarbonylContact O-C 3.54Å; S769-E772 PolarHBondContact O-N 3.14Å; S769-G773 PolarHBondContact O-N 3.37Å; S769-R774 PolarHBondContact O-N 3.34Å; S769-M776 WeakPolarHBondContact OG-CE 3.41Å |
| 770 | L | 68.6 | Low | 68.5 | Low | 65 Ų | 65 | 63.3 Ų | 63.3 | 34% | 0.34 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 174.9 | -72.1 | 169.7 | 0 | 0 | 0 | 112.8 | M766 S768 E772 G773 | M766-L770 WeakPolarHBondContact O-CB 3.3Å; M766-L770 WeakPolarHBondContact O-CG 3.36Å; M766-L770 PolarHBondContact O-N 3.18Å; S768-L770 VanDerWaalsContact C-N 3.3Å; S768-L770 PolarHBondContact O-N 3.22Å; L770-E772 VanDerWaalsContact C-N 3.32Å; L770-G773 PolarHBondContact O-N 2.99Å |
| 771 | R | 66.3 | Low | 67.7 | Low | 108 Ų | 108 | 65.7 Ų | 65.7 | 41% | 0.408 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68 | -33 | 175.2 | -70.6 | 166.8 | -168.3 | -139.7 | 3.7 | 112.4 | N767 S768 G773 | N767-R771 WeakPolarHBondContact O-CD 3.34Å; N767-R771 WeakPolarHBondContact O-CG 3.41Å; N767-R771 PolarHBondContact O-N 3.48Å; S768-R771 WeakPolarHBondContact O-CB 3.44Å; S768-R771 PolarHBondContact O-N 2.79Å; R771-G773 PolarHBondContact O-N 3.38Å |
| 772 | E | 65.6 | Low | 67.1 | Low | 97 Ų | 97 | 61.2 Ų | 61.2 | 45% | 0.453 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 0.1 | 174.9 | -66.1 | 167.1 | -128 | 0 | 0 | 112.9 | S768 S769 L770 R774 | S768-E772 WeakPolarHBondContact O-CG 3.49Å; S768-E772 PolarHBondContact O-N 2.93Å; S768-E772 PolarHBondContact OG-OE1 3.06Å; S769-E772 CarbonylContact O-C 3.54Å; S769-E772 PolarHBondContact O-N 3.14Å; L770-E772 VanDerWaalsContact C-N 3.32Å; E772-R774 HydrophobicContact CB-CG 4.05Å; E772-R774 PolarHBondContact O-N 3.4Å; E772-R774 IonicContact OE2-CZ 2.75Å; E772-R774 IonicContact OE2-NE 2.61Å; E772-R774 PolarHBondContact OE2-NE 2.8Å; E772-R774 IonicContact OE2-NH2 2.6Å; E772-R774 PolarHBondContact OE2-NH2 3.05Å |
| 773 | G | 56.5 | Low | 66.9 | Low | 69 Ų | 69 | 61 Ų | 61 | 71% | 0.711 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 12.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S769 L770 R771 | S769-G773 PolarHBondContact O-N 3.37Å; L770-G773 PolarHBondContact O-N 2.99Å; R771-G773 PolarHBondContact O-N 3.38Å |
| 774 | R | 58.7 | Low | 66.8 | Low | 157 Ų | 157 | 63.4 Ų | 63.4 | 59% | 0.592 | 34% | 0.341 | S | S | * | . | trans | -81 | 123.8 | 179.6 | -52.6 | -173.1 | -158.4 | -130.2 | 8.2 | 109.7 | S769 E772 M776 | S769-R774 PolarHBondContact O-N 3.34Å; E772-R774 HydrophobicContact CB-CG 4.05Å; E772-R774 PolarHBondContact O-N 3.4Å; E772-R774 IonicContact OE2-CZ 2.75Å; E772-R774 IonicContact OE2-NE 2.61Å; E772-R774 PolarHBondContact OE2-NE 2.8Å; E772-R774 IonicContact OE2-NH2 2.6Å; E772-R774 PolarHBondContact OE2-NH2 3.05Å; R774-M776 PolarHBondContact O-N 2.99Å | ||
| 775 | A | 50.1 | Low | 66.7 | Low | 106 Ų | 106 | 63.3 Ų | 63.3 | 88% | 0.876 | 35% | 0.346 | S | S | * | . | trans | -66.1 | 125.3 | 167 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 776 | M | 55.9 | Low | 67 | Low | 71 Ų | 71 | 58.8 Ų | 58.8 | 35% | 0.35 | 32% | 0.323 | S | S | . | . | trans | -120.3 | 143.6 | 161.7 | -79.9 | -159.2 | -178.7 | 0 | 0 | 108.3 | S769 R774 I778 | S769-M776 WeakPolarHBondContact OG-CE 3.41Å; R774-M776 PolarHBondContact O-N 2.99Å; M776-I778 VanDerWaalsContact O-CG1 3.29Å; M776-I778 WeakPolarHBondContact O-CG1 3.35Å; M776-I778 PolarHBondContact O-N 2.94Å; M776-I778 VanDerWaalsContact O-N 3.1Å | ||
| 777 | D | 55.2 | Low | 67.4 | Low | 155 Ų | 155 | 59.1 Ų | 59.1 | 83% | 0.829 | 33% | 0.329 | S | S | * | . | trans | -66.6 | 108.1 | 167.8 | -63 | -63.6 | 0 | 0 | 0 | 109.9 | N779 | D777-N779 PolarHBondContact O-N 2.81Š| ||
| 778 | I | 60.1 | Low | 67.8 | Low | 40 Ų | 40 | 62.3 Ų | 62.3 | 21% | 0.205 | 34% | 0.344 | C | S | . | . | trans | -84.4 | 105.1 | -173.5 | -43 | -177.9 | 0 | 0 | 0 | 109.1 | M766 M776 L780 L783 W840 | M766-I778 HydrophobicContact SD-CG2 3.98Å; M776-I778 VanDerWaalsContact O-CG1 3.29Å; M776-I778 WeakPolarHBondContact O-CG1 3.35Å; M776-I778 PolarHBondContact O-N 2.94Å; M776-I778 VanDerWaalsContact O-N 3.1Å; I778-L780 PolarHBondContact O-N 2.95Å; I778-L780 VanDerWaalsContact O-N 3.13Å; I778-L783 HydrophobicContact CB-CD1 4.48Å; I778-L783 HydrophobicContact CG2-CD1 3.69Å; I778-L783 HydrophobicContact CG2-CD2 3.73Å; I778-L783 HydrophobicContact CG2-CG 3.74Å; I778-W840 HydrophobicContact CD1-CE3 3.96Å; I778-W840 HydrophobicContact CD1-CZ3 4.05Å | ||
| 779 | N | 63.5 | Low | 68.4 | Low | 29 Ų | 29 | 60.1 Ų | 60.1 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | trans | -61.5 | 114.4 | -179.2 | 179 | -1.1 | 0 | 0 | 0 | 111.4 | D777 R781 I782 L783 | D777-N779 PolarHBondContact O-N 2.81Å; N779-R781 VanDerWaalsContact C-N 3.32Å; N779-R781 PolarHBondContact O-N 3.04Å; N779-R781 PolarHBondContact OD1-N 2.97Å; N779-I782 HydrophobicContact CB-CB 4.45Å; N779-I782 HydrophobicContact CB-CD1 3.73Å; N779-I782 HydrophobicContact CB-CG1 3.84Å; N779-I782 WeakPolarHBondContact O-CB 3.5Å; N779-I782 PolarHBondContact O-N 3.36Å; N779-L783 PolarHBondContact O-N 3.14Å | ||
| 780 | L | 66.8 | Low | 69.1 | Low | 88 Ų | 88 | 61.7 Ų | 61.7 | 46% | 0.461 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -40.4 | -54.1 | 176.5 | -95.1 | 155.3 | 0 | 0 | 0 | 113.3 | I778 I782 L783 E784 R841 | I778-L780 PolarHBondContact O-N 2.95Å; I778-L780 VanDerWaalsContact O-N 3.13Å; L780-I782 VanDerWaalsContact C-N 3.26Å; L780-I782 PolarHBondContact O-N 2.65Å; L780-L783 WeakPolarHBondContact O-CB 3.34Å; L780-L783 PolarHBondContact O-N 2.89Å; L780-E784 PolarHBondContact O-N 3.43Å; L780-R841 VanDerWaalsContact CD2-NH1 3.31Å |
| 781 | R | 65.6 | Low | 69.9 | Low | 51 Ų | 51 | 63.3 Ų | 63.3 | 19% | 0.192 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.3 | -20.4 | -174.6 | -60.3 | -153.7 | -167.2 | 178.4 | 5.1 | 113.7 | E191 E195 N779 E784 A785 | E191-R781 IonicContact OE1-NH1 3.84Å; E191-R781 PolarHBondContact OE1-NH1 3.43Å; E191-R781 IonicContact OE2-CZ 2.76Å; E191-R781 IonicContact OE2-NH1 3.2Å; E191-R781 PolarHBondContact OE2-NH1 3.08Å; E195-R781 IonicContact OE1-CZ 2.81Å; E195-R781 IonicContact OE1-NE 2.81Å; E195-R781 PolarHBondContact OE1-NE 3.01Å; E195-R781 IonicContact OE1-NH2 2.65Å; E195-R781 PolarHBondContact OE1-NH2 2.64Å; E195-R781 IonicContact OE2-NH2 2.76Å; E195-R781 PolarHBondContact OE2-NH2 2.78Å; N779-R781 VanDerWaalsContact C-N 3.32Å; N779-R781 PolarHBondContact O-N 3.04Å; N779-R781 PolarHBondContact OD1-N 2.97Å; R781-E784 WeakPolarHBondContact CA-OE2 3.35Å; R781-A785 WeakPolarHBondContact O-CB 3.45Å; R781-A785 PolarHBondContact O-N 2.91Å |
| 782 | I | 70.4 | Confident | 70.8 | Confident | 15 Ų | 15 | 63 Ų | 63 | 8% | 0.077 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -74.7 | -39.6 | 171.2 | -53.2 | 177.9 | 0 | 0 | 0 | 109.7 | T383 M766 N779 L780 E784 A785 I786 | T383-I782 HydrophobicContact CG2-CD1 3.78Å; T383-I782 HydrophobicContact CG2-CG1 3.97Å; T383-I782 WeakPolarHBondContact O-CD1 3.44Å; M766-I782 HydrophobicContact CE-CG2 4.17Å; N779-I782 HydrophobicContact CB-CB 4.45Å; N779-I782 HydrophobicContact CB-CD1 3.73Å; N779-I782 HydrophobicContact CB-CG1 3.84Å; N779-I782 WeakPolarHBondContact O-CB 3.5Å; N779-I782 PolarHBondContact O-N 3.36Å; L780-I782 VanDerWaalsContact C-N 3.26Å; L780-I782 PolarHBondContact O-N 2.65Å; I782-E784 VanDerWaalsContact C-N 3.34Å; I782-A785 PolarHBondContact O-N 3.12Å; I782-I786 HydrophobicContact CG2-CD1 3.72Å; I782-I786 HydrophobicContact CG2-CG1 4.35Å; I782-I786 VanDerWaalsContact O-CB 3.32Å; I782-I786 WeakPolarHBondContact O-CB 3.45Å; I782-I786 WeakPolarHBondContact O-CD1 3.35Å; I782-I786 WeakPolarHBondContact O-CG1 3.31Å; I782-I786 PolarHBondContact O-N 3.15Å |
| 783 | L | 73.1 | Confident | 71.7 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.063 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 173.8 | -63.6 | 176.7 | 0 | 0 | 0 | 111.4 | I778 N779 L780 I786 A787 C837 L838 | I778-L783 HydrophobicContact CB-CD1 4.48Å; I778-L783 HydrophobicContact CG2-CD1 3.69Å; I778-L783 HydrophobicContact CG2-CD2 3.73Å; I778-L783 HydrophobicContact CG2-CG 3.74Å; N779-L783 PolarHBondContact O-N 3.14Å; L780-L783 WeakPolarHBondContact O-CB 3.34Å; L780-L783 PolarHBondContact O-N 2.89Å; L783-I786 PolarHBondContact O-N 2.83Å; L783-A787 WeakPolarHBondContact O-CB 3.25Å; L783-A787 PolarHBondContact O-N 2.83Å; L783-C837 HydrophobicContact CD2-CB 3.96Å; L783-L838 HydrophobicContact CB-CD2 4.01Å; L783-L838 HydrophobicContact CD2-CD2 4.07Å; L783-L838 WeakPolarHBondContact O-CD2 3.26Å |
| 784 | E | 77.9 | Confident | 73 | Confident | 51 Ų | 51 | 59.4 Ų | 59.4 | 24% | 0.238 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 174.5 | -68 | 166.9 | 158.6 | 0 | 0 | 111.1 | N198 L780 R781 I782 I786 A787 E788 | N198-E784 PolarHBondContact ND2-OE1 3.11Å; L780-E784 PolarHBondContact O-N 3.43Å; R781-E784 WeakPolarHBondContact CA-OE2 3.35Å; I782-E784 VanDerWaalsContact C-N 3.34Å; E784-I786 VanDerWaalsContact C-N 3.28Å; E784-I786 PolarHBondContact O-N 2.87Å; E784-A787 WeakPolarHBondContact O-CB 3.44Å; E784-A787 PolarHBondContact O-N 2.93Å; E784-A787 VanDerWaalsContact O-N 3.1Å; E784-E788 WeakPolarHBondContact O-CG 3.23Å; E784-E788 PolarHBondContact O-N 3.46Å |
| 785 | A | 77.2 | Confident | 74.3 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 26% | 0.256 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.4 | -31.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L759 R781 I782 L789 | L759-A785 HydrophobicContact CD1-CB 4.48Å; R781-A785 WeakPolarHBondContact O-CB 3.45Å; R781-A785 PolarHBondContact O-N 2.91Å; I782-A785 PolarHBondContact O-N 3.12Å; A785-L789 VanDerWaalsContact O-CB 3.31Å; A785-L789 WeakPolarHBondContact O-CB 3.45Å; A785-L789 PolarHBondContact O-N 3.43Å |
| 786 | I | 82.2 | Confident | 75.8 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.6 | -34.5 | 174.2 | -73.5 | 166.5 | 0 | 0 | 0 | 111.2 | L763 M766 I782 L783 E784 L789 K790 W835 L838 | L763-I786 HydrophobicContact CB-CD1 3.94Å; L763-I786 HydrophobicContact CD1-CD1 4.12Å; L763-I786 HydrophobicContact CD1-CG2 4.2Å; L763-I786 HydrophobicContact CD2-CG2 4.27Å; M766-I786 HydrophobicContact CE-CD1 3.57Å; I782-I786 HydrophobicContact CG2-CD1 3.72Å; I782-I786 HydrophobicContact CG2-CG1 4.35Å; I782-I786 VanDerWaalsContact O-CB 3.32Å; I782-I786 WeakPolarHBondContact O-CB 3.45Å; I782-I786 WeakPolarHBondContact O-CD1 3.35Å; I782-I786 WeakPolarHBondContact O-CG1 3.31Å; I782-I786 PolarHBondContact O-N 3.15Å; L783-I786 PolarHBondContact O-N 2.83Å; E784-I786 VanDerWaalsContact C-N 3.28Å; E784-I786 PolarHBondContact O-N 2.87Å; I786-L789 PolarHBondContact O-N 3.01Å; I786-K790 WeakPolarHBondContact O-CB 3.39Å; I786-K790 PolarHBondContact O-N 3.25Å; I786-W835 HydrophobicContact CG2-CE3 3.73Å; I786-W835 HydrophobicContact CG2-CZ3 3.83Å; I786-W835 WeakPolarHBondContact O-CZ3 3.33Å; I786-L838 HydrophobicContact CB-CD2 4.49Å; I786-L838 HydrophobicContact CG2-CD1 4.16Å; I786-L838 HydrophobicContact CG2-CD2 4.11Å; I786-L838 HydrophobicContact CG2-CG 4.17Å |
| 787 | A | 82.8 | Confident | 77 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 26% | 0.264 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68.6 | -46.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L783 E784 L789 K790 D791 L838 | L783-A787 WeakPolarHBondContact O-CB 3.25Å; L783-A787 PolarHBondContact O-N 2.83Å; E784-A787 WeakPolarHBondContact O-CB 3.44Å; E784-A787 PolarHBondContact O-N 2.93Å; E784-A787 VanDerWaalsContact O-N 3.1Å; A787-L789 VanDerWaalsContact C-N 3.28Å; A787-L789 PolarHBondContact O-N 3.42Å; A787-K790 WeakPolarHBondContact O-CA 3.15Å; A787-K790 WeakPolarHBondContact O-CB 3.4Å; A787-K790 PolarHBondContact O-N 3.31Å; A787-D791 PolarHBondContact O-N 3.06Å; A787-L838 HydrophobicContact CB-CD1 4.24Å; A787-L838 HydrophobicContact CB-CD2 4.37Å |
| 788 | E | 84.1 | Confident | 77.7 | Confident | 69 Ų | 69 | 49.1 Ų | 49.1 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.6 | -40 | 172.2 | -72.1 | 175.6 | -121.6 | 0 | 0 | 111.5 | K194 E784 D791 H792 | K194-E788 IonicContact NZ-OE1 3.04Å; K194-E788 PolarHBondContact NZ-OE1 3.41Å; K194-E788 IonicContact NZ-OE2 3.87Å; K194-E788 PolarHBondContact NZ-OE2 2.97Å; E784-E788 WeakPolarHBondContact O-CG 3.23Å; E784-E788 PolarHBondContact O-N 3.46Å; E788-D791 PolarHBondContact O-N 2.95Å; E788-H792 WeakPolarHBondContact O-CB 3.28Å; E788-H792 PolarHBondContact O-N 2.81Å; E788-H792 PolarHBondContact O-ND1 2.86Å |
| 789 | L | 85.1 | Confident | 78.1 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 173.3 | -175.9 | 69 | 0 | 0 | 0 | 111.7 | L752 N756 I760 A785 I786 A787 L793 W835 | L752-L789 HydrophobicContact CD2-CD1 3.71Å; L752-L789 HydrophobicContact CG-CD1 4.33Å; N756-L789 HydrophobicContact CB-CD1 3.79Å; N756-L789 HydrophobicContact CB-CD2 4.47Å; I760-L789 HydrophobicContact CG1-CD2 3.94Å; A785-L789 VanDerWaalsContact O-CB 3.31Å; A785-L789 WeakPolarHBondContact O-CB 3.45Å; A785-L789 PolarHBondContact O-N 3.43Å; I786-L789 PolarHBondContact O-N 3.01Å; A787-L789 VanDerWaalsContact C-N 3.28Å; A787-L789 PolarHBondContact O-N 3.42Å; L789-L793 WeakPolarHBondContact O-CB 3.33Å; L789-L793 PolarHBondContact O-N 2.83Å; L789-W835 HydrophobicContact CD2-CH2 4.46Å; L789-W835 HydrophobicContact CG-CH2 4.48Å |
| 790 | K | 85.2 | Confident | 77.8 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 19% | 0.187 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 176.1 | -173.4 | -170.9 | 173.4 | -172.9 | 0 | 111.2 | I786 A787 L793 Q794 V806 W835 L838 | I786-K790 WeakPolarHBondContact O-CB 3.39Å; I786-K790 PolarHBondContact O-N 3.25Å; A787-K790 WeakPolarHBondContact O-CA 3.15Å; A787-K790 WeakPolarHBondContact O-CB 3.4Å; A787-K790 PolarHBondContact O-N 3.31Å; K790-L793 PolarHBondContact O-N 3.33Å; K790-Q794 VanDerWaalsContact O-CB 3.28Å; K790-Q794 WeakPolarHBondContact O-CB 3.46Å; K790-Q794 PolarHBondContact O-N 2.99Å; K790-V806 HydrophobicContact CG-CG1 3.66Å; K790-W835 HydrophobicContact CB-CD2 4.29Å; K790-W835 HydrophobicContact CB-CE3 4.04Å; K790-W835 HydrophobicContact CB-CH2 3.95Å; K790-W835 HydrophobicContact CB-CZ2 4.2Å; K790-W835 HydrophobicContact CB-CZ3 3.86Å; K790-W835 HydrophobicContact CD-CD2 4.18Å; K790-W835 HydrophobicContact CD-CG 4.22Å; K790-W835 HydrophobicContact CG-CD2 4.08Å; K790-W835 HydrophobicContact CG-CE3 4.35Å; K790-W835 HydrophobicContact CG-CH2 4.4Å; K790-W835 HydrophobicContact CG-CZ2 4.14Å; K790-W835 HydrophobicContact CG-CZ3 4.49Å; K790-L838 HydrophobicContact CD-CD1 4.26Å |
| 791 | D | 85.5 | Confident | 77.7 | Confident | 98 Ų | 98 | 64.9 Ų | 64.9 | 52% | 0.524 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.5 | -40.9 | -176.3 | -69.1 | -20.7 | 0 | 0 | 0 | 112.4 | A787 E788 Q794 S795 | A787-D791 PolarHBondContact O-N 3.06Å; E788-D791 PolarHBondContact O-N 2.95Å; D791-Q794 PolarHBondContact O-N 3.41Å; D791-S795 PolarHBondContact O-N 3.19Å |
| 792 | H | 85.1 | Confident | 77.9 | Confident | 103 Ų | 103 | 62.9 Ų | 62.9 | 48% | 0.477 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 171.1 | -70.2 | 108.4 | 0 | 0 | 0 | 112 | L752 E788 Q794 S795 L796 | L752-H792 HydrophobicContact CD1-CB 3.77Å; E788-H792 WeakPolarHBondContact O-CB 3.28Å; E788-H792 PolarHBondContact O-N 2.81Å; E788-H792 PolarHBondContact O-ND1 2.86Å; H792-Q794 VanDerWaalsContact C-N 3.3Å; H792-Q794 PolarHBondContact O-N 3.45Å; H792-S795 PolarHBondContact O-N 3.36Å; H792-S795 PolarHBondContact O-OG 3.28Å; H792-L796 WeakPolarHBondContact O-CG 3.34Å; H792-L796 PolarHBondContact O-N 2.8Å; H792-L796 VanDerWaalsContact O-N 3.12Å |
| 793 | L | 84.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.5 | -33.5 | 176.1 | -162.1 | 155.1 | 0 | 0 | 0 | 110.7 | V749 L752 L753 L789 K790 L797 V806 I809 | V749-L793 HydrophobicContact CG1-CG 4.37Å; L752-L793 HydrophobicContact CD2-CD1 4.46Å; L753-L793 HydrophobicContact CD2-CD1 3.89Å; L789-L793 WeakPolarHBondContact O-CB 3.33Å; L789-L793 PolarHBondContact O-N 2.83Å; K790-L793 PolarHBondContact O-N 3.33Å; L793-L797 HydrophobicContact CD2-CD1 3.56Å; L793-L797 HydrophobicContact CD2-CG 4.21Å; L793-L797 WeakPolarHBondContact O-CB 3.36Å; L793-L797 WeakPolarHBondContact O-CG 3.47Å; L793-L797 PolarHBondContact O-N 3.11Å; L793-L797 VanDerWaalsContact O-N 3.12Å; L793-V806 HydrophobicContact CD2-CB 4.37Å; L793-V806 HydrophobicContact CD2-CG1 4.17Å; L793-V806 HydrophobicContact CD2-CG2 3.64Å; L793-I809 HydrophobicContact CD1-CD1 4.37Å; L793-I809 HydrophobicContact CD2-CD1 3.92Å |
| 794 | Q | 85.2 | Confident | 77.5 | Confident | 90 Ų | 90 | 74.5 Ų | 74.5 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -71.3 | -32.6 | 174 | -174.6 | 165.3 | -46.9 | 0 | 0 | 113.4 | K790 D791 H792 Q798 V806 | K790-Q794 VanDerWaalsContact O-CB 3.28Å; K790-Q794 WeakPolarHBondContact O-CB 3.46Å; K790-Q794 PolarHBondContact O-N 2.99Å; D791-Q794 PolarHBondContact O-N 3.41Å; H792-Q794 VanDerWaalsContact C-N 3.3Å; H792-Q794 PolarHBondContact O-N 3.45Å; Q794-Q798 WeakPolarHBondContact O-CG 3.44Å; Q794-V806 HydrophobicContact CB-CG2 3.92Å; Q794-V806 HydrophobicContact CG-CG2 4.38Å |
| 795 | S | 84.9 | Confident | 77.2 | Confident | 58 Ų | 58 | 72.4 Ų | 72.4 | 41% | 0.406 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -72.8 | -41.6 | 175.2 | 70.3 | 0 | 0 | 0 | 0 | 112.2 | D791 H792 L797 Q798 | D791-S795 PolarHBondContact O-N 3.19Å; H792-S795 PolarHBondContact O-N 3.36Å; H792-S795 PolarHBondContact O-OG 3.28Å; S795-L797 VanDerWaalsContact C-N 3.31Å; S795-L797 PolarHBondContact O-N 2.87Å; S795-Q798 VanDerWaalsContact O-CG 3.31Å; S795-Q798 WeakPolarHBondContact O-CG 3.5Å; S795-Q798 PolarHBondContact O-N 3.38Å |
| 796 | L | 82.6 | Confident | 77.2 | Confident | 55 Ų | 55 | 71.1 Ų | 71.1 | 29% | 0.288 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.4 | -27.1 | 175.5 | -64.5 | 175.3 | 0 | 0 | 0 | 113.3 | E748 V749 L752 H792 | E748-L796 HydrophobicContact CB-CD1 4.31Å; E748-L796 HydrophobicContact CB-CD2 4.23Å; V749-L796 HydrophobicContact CG2-CB 3.58Å; V749-L796 HydrophobicContact CG2-CD1 3.87Å; V749-L796 HydrophobicContact CG2-CG 4.37Å; L752-L796 HydrophobicContact CD1-CD1 3.97Å; H792-L796 WeakPolarHBondContact O-CG 3.34Å; H792-L796 PolarHBondContact O-N 2.8Å; H792-L796 VanDerWaalsContact O-N 3.12Å |
| 797 | L | 80 | Confident | 76.9 | Confident | 8 Ų | 8 | 75.7 Ų | 75.7 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 26.5 | 178.7 | -66.3 | -170.5 | 0 | 0 | 0 | 114.6 | P746 V749 L793 S795 E799 W802 A805 V806 | P746-L797 HydrophobicContact CG-CD2 4.42Å; V749-L797 HydrophobicContact CG2-CD2 4.04Å; V749-L797 HydrophobicContact CG2-CG 4.48Å; L793-L797 HydrophobicContact CD2-CD1 3.56Å; L793-L797 HydrophobicContact CD2-CG 4.21Å; L793-L797 WeakPolarHBondContact O-CB 3.36Å; L793-L797 WeakPolarHBondContact O-CG 3.47Å; L793-L797 PolarHBondContact O-N 3.11Å; L793-L797 VanDerWaalsContact O-N 3.12Å; S795-L797 VanDerWaalsContact C-N 3.31Å; S795-L797 PolarHBondContact O-N 2.87Å; L797-E799 VanDerWaalsContact C-N 3.28Å; L797-E799 PolarHBondContact O-N 2.88Å; L797-W802 HydrophobicContact CB-CB 3.92Å; L797-W802 HydrophobicContact CD1-CE3 4.19Å; L797-W802 HydrophobicContact CD2-CB 4.27Å; L797-W802 HydrophobicContact CD2-CD2 3.93Å; L797-W802 HydrophobicContact CD2-CE3 4.14Å; L797-W802 HydrophobicContact CD2-CG 4.01Å; L797-W802 HydrophobicContact CG-CB 4.49Å; L797-W802 WeakPolarHBondContact O-CB 3.48Å; L797-A805 HydrophobicContact CD1-CB 4.37Å; L797-V806 HydrophobicContact CD1-CG2 4.43Å |
| 798 | Q | 69.2 | Low | 76.7 | Confident | 152 Ų | 152 | 80.1 Ų | 80.1 | 71% | 0.71 | 36% | 0.364 | S | S | * | . | trans | -73.5 | -9.6 | 175.7 | -69.9 | -177.4 | 13.5 | 0 | 0 | 115 | Q794 S795 | Q794-Q798 WeakPolarHBondContact O-CG 3.44Å; S795-Q798 VanDerWaalsContact O-CG 3.31Å; S795-Q798 WeakPolarHBondContact O-CG 3.5Å; S795-Q798 PolarHBondContact O-N 3.38Å | ||
| 799 | E | 69.6 | Low | 76.8 | Confident | 85 Ų | 85 | 76.9 Ų | 76.9 | 40% | 0.397 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -49.6 | 141.6 | 173.7 | -100.9 | -164.3 | 165.6 | 0 | 0 | 111.1 | R683 L797 K801 W802 | R683-E799 IonicContact CZ-OE1 2.9Å; R683-E799 IonicContact CZ-OE2 2.8Å; R683-E799 IonicContact NH1-OE1 2.92Å; R683-E799 PolarHBondContact NH1-OE1 2.83Å; R683-E799 IonicContact NH1-OE2 2.87Å; R683-E799 IonicContact NH2-OE1 3.19Å; R683-E799 PolarHBondContact NH2-OE1 2.61Å; R683-E799 IonicContact NH2-OE2 3.88Å; R683-E799 PolarHBondContact NH2-OE2 2.8Å; L797-E799 VanDerWaalsContact C-N 3.28Å; L797-E799 PolarHBondContact O-N 2.88Å; E799-K801 PolarHBondContact O-N 3.27Å; E799-W802 PolarHBondContact O-N 3.49Å; E799-W802 PolarHBondContact OE2-NE1 3.12Å |
| 800 | R | 56.4 | Low | 76.7 | Confident | 227 Ų | 227 | 77 Ų | 77 | 86% | 0.857 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -22.9 | -178.4 | -87.4 | -170.7 | 178.4 | -168.6 | 1 | 115.3 | ||
| 801 | K | 64.2 | Low | 76.8 | Confident | 175 Ų | 175 | 75.1 Ų | 75.1 | 76% | 0.761 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -18.1 | 179.7 | -68 | -171.5 | 173.7 | -169.3 | 0 | 114.8 | E799 | E799-K801 PolarHBondContact O-N 3.27Š|
| 802 | W | 71.8 | Confident | 77 | Confident | 10 Ų | 10 | 70.7 Ų | 70.7 | 4% | 0.038 | 32% | 0.317 | C | S | . | . | trans | -118 | 14.1 | -168.1 | -57.8 | 92.7 | 0 | 0 | 0 | 113.9 | I743 L745 L797 E799 N804 A805 L823 C883 | I743-W802 HydrophobicContact CB-CH2 4.44Å; I743-W802 HydrophobicContact CG2-CH2 3.97Å; I743-W802 HydrophobicContact CG2-CZ2 3.7Å; L745-W802 HydrophobicContact CG-CH2 4.46Å; L797-W802 HydrophobicContact CB-CB 3.92Å; L797-W802 HydrophobicContact CD1-CE3 4.19Å; L797-W802 HydrophobicContact CD2-CB 4.27Å; L797-W802 HydrophobicContact CD2-CD2 3.93Å; L797-W802 HydrophobicContact CD2-CE3 4.14Å; L797-W802 HydrophobicContact CD2-CG 4.01Å; L797-W802 HydrophobicContact CG-CB 4.49Å; L797-W802 WeakPolarHBondContact O-CB 3.48Å; E799-W802 PolarHBondContact O-N 3.49Å; E799-W802 PolarHBondContact OE2-NE1 3.12Å; W802-N804 PolarHBondContact O-N 3.36Å; W802-A805 HydrophobicContact CB-CB 4.21Å; W802-A805 HydrophobicContact CE3-CB 4.17Å; W802-A805 WeakPolarHBondContact O-CB 3.4Å; W802-A805 PolarHBondContact O-N 2.98Å; W802-L823 HydrophobicContact CE3-CD1 4.3Å; W802-L823 HydrophobicContact CZ3-CD1 4.16Å; W802-C883 HydrophobicContact CH2-CB 3.57Å; W802-C883 HydrophobicContact CZ3-CB 3.85Å | ||
| 803 | R | 65.2 | Low | 76.9 | Confident | 176 Ų | 176 | 65.8 Ų | 65.8 | 66% | 0.664 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 125.4 | 176.9 | -69.7 | -179.3 | 165.3 | -160.5 | -8.6 | 111.1 | A805 | R803-A805 PolarHBondContact O-N 3.12Š|
| 804 | N | 68.8 | Low | 76.9 | Confident | 95 Ų | 95 | 66.7 Ų | 66.7 | 51% | 0.508 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 20.1 | -175.6 | -58.3 | 64.1 | 0 | 0 | 0 | 114.5 | W802 V806 E807 R808 | W802-N804 PolarHBondContact O-N 3.36Å; N804-V806 VanDerWaalsContact C-N 3.33Å; N804-V806 PolarHBondContact O-N 2.94Å; N804-E807 PolarHBondContact ND2-OE2 2.9Å; N804-R808 WeakPolarHBondContact O-CG 3.43Å |
| 805 | A | 71.1 | Confident | 76.8 | Confident | 7 Ų | 7 | 70.4 Ų | 70.4 | 6% | 0.058 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -35.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L797 W802 R803 E807 R808 I809 L823 | L797-A805 HydrophobicContact CD1-CB 4.37Å; W802-A805 HydrophobicContact CB-CB 4.21Å; W802-A805 HydrophobicContact CE3-CB 4.17Å; W802-A805 WeakPolarHBondContact O-CB 3.4Å; W802-A805 PolarHBondContact O-N 2.98Å; R803-A805 PolarHBondContact O-N 3.12Å; A805-E807 VanDerWaalsContact C-N 3.32Å; A805-E807 PolarHBondContact O-N 3.48Å; A805-R808 CarbonylContact O-C 3.55Å; A805-R808 WeakPolarHBondContact O-CA 3.24Å; A805-R808 PolarHBondContact O-N 2.94Å; A805-I809 PolarHBondContact O-N 2.73Å; A805-L823 HydrophobicContact CB-CD1 4.02Å; A805-L823 HydrophobicContact CB-CD2 4.24Å; A805-L823 VanDerWaalsContact O-CD2 3.32Å; A805-L823 WeakPolarHBondContact O-CD2 3.42Å |
| 806 | V | 78.7 | Confident | 76.7 | Confident | 4 Ų | 4 | 71.5 Ų | 71.5 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -59.6 | -41.3 | -177 | -172.7 | 0 | 0 | 0 | 0 | 112.5 | K790 L793 Q794 L797 N804 R808 I809 W835 | K790-V806 HydrophobicContact CG-CG1 3.66Å; L793-V806 HydrophobicContact CD2-CB 4.37Å; L793-V806 HydrophobicContact CD2-CG1 4.17Å; L793-V806 HydrophobicContact CD2-CG2 3.64Å; Q794-V806 HydrophobicContact CB-CG2 3.92Å; Q794-V806 HydrophobicContact CG-CG2 4.38Å; L797-V806 HydrophobicContact CD1-CG2 4.43Å; N804-V806 VanDerWaalsContact C-N 3.33Å; N804-V806 PolarHBondContact O-N 2.94Å; V806-R808 PolarHBondContact O-N 3.16Å; V806-I809 HydrophobicContact CG1-CD1 4.46Å; V806-I809 WeakPolarHBondContact O-CG1 3.32Å; V806-I809 PolarHBondContact O-N 3.01Å; V806-W835 HydrophobicContact CG1-CZ2 3.96Å; V806-W835 PolarHBondContact O-NE1 2.95Å |
| 807 | E | 75.2 | Confident | 76.8 | Confident | 96 Ų | 96 | 71.8 Ų | 71.8 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -71.1 | -21.8 | 178.1 | -57.2 | 175.1 | 136.1 | 0 | 0 | 112 | N804 A805 S833 | N804-E807 PolarHBondContact ND2-OE2 2.9Å; A805-E807 VanDerWaalsContact C-N 3.32Å; A805-E807 PolarHBondContact O-N 3.48Å; E807-S833 VanDerWaalsContact O-CB 3.24Å; E807-S833 WeakPolarHBondContact O-CB 3.29Å |
| 808 | R | 79.1 | Confident | 77.1 | Confident | 125 Ų | 125 | 71.9 Ų | 71.9 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -97.3 | 3.9 | -178.7 | -64.2 | 175.5 | -169.6 | -177 | 2.8 | 113.8 | N804 A805 V806 W810 L823 N824 | N804-R808 WeakPolarHBondContact O-CG 3.43Å; A805-R808 CarbonylContact O-C 3.55Å; A805-R808 WeakPolarHBondContact O-CA 3.24Å; A805-R808 PolarHBondContact O-N 2.94Å; V806-R808 PolarHBondContact O-N 3.16Å; R808-W810 PolarHBondContact O-N 3.38Å; R808-L823 HydrophobicContact CB-CD2 4.46Å; R808-L823 WeakPolarHBondContact O-CA 3.49Å; R808-N824 WeakPolarHBondContact CB-O 3.32Å; R808-N824 WeakPolarHBondContact CD-O 3.26Å; R808-N824 PolarHBondContact O-N 3.19Å |
| 809 | I | 85.4 | Confident | 78.1 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 122.4 | 173.1 | -63.9 | 175.7 | 0 | 0 | 0 | 108.5 | L793 A805 V806 F812 I821 L823 V834 W835 | L793-I809 HydrophobicContact CD1-CD1 4.37Å; L793-I809 HydrophobicContact CD2-CD1 3.92Å; A805-I809 PolarHBondContact O-N 2.73Å; V806-I809 HydrophobicContact CG1-CD1 4.46Å; V806-I809 WeakPolarHBondContact O-CG1 3.32Å; V806-I809 PolarHBondContact O-N 3.01Å; I809-F812 HydrophobicContact CD1-CE1 4.22Å; I809-F812 HydrophobicContact CD1-CZ 4.07Å; I809-F812 HydrophobicContact CG2-CD2 4.46Å; I809-F812 HydrophobicContact CG2-CE1 4.08Å; I809-F812 HydrophobicContact CG2-CE2 4Å; I809-F812 HydrophobicContact CG2-CZ 3.8Å; I809-I821 HydrophobicContact CD1-CD1 4.36Å; I809-I821 HydrophobicContact CG1-CG2 3.98Å; I809-I821 HydrophobicContact CG2-CG2 4.34Å; I809-L823 HydrophobicContact CG1-CD2 3.9Å; I809-V834 HydrophobicContact CG2-CB 4.36Å; I809-V834 HydrophobicContact CG2-CG2 4.22Å; I809-V834 WeakPolarHBondContact O-CG2 3.3Å; I809-V834 PolarHBondContact O-N 3.31Å; I809-W835 HydrophobicContact CD1-CZ2 4.2Å |
| 810 | W | 82.8 | Confident | 79.1 | Confident | 8 Ų | 8 | 61.4 Ų | 61.4 | 3% | 0.03 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -30.8 | -169.8 | -157.9 | 22.3 | 0 | 0 | 0 | 112.1 | R808 L822 N824 Y829 R831 V834 I861 V886 W889 | R808-W810 PolarHBondContact O-N 3.38Å; W810-L822 HydrophobicContact CB-CD2 4.29Å; W810-L822 HydrophobicContact CB-CG 4.23Å; W810-L822 WeakPolarHBondContact CB-O 3.21Å; W810-L822 HydrophobicContact CD2-CD2 4.23Å; W810-L822 HydrophobicContact CE3-CD2 3.77Å; W810-L822 HydrophobicContact CE3-CG 4.01Å; W810-L822 HydrophobicContact CG-CD2 4.48Å; W810-L822 PolarHBondContact N-O 2.98Å; W810-N824 HydrophobicContact CB-CB 4.37Å; W810-N824 HydrophobicContact CD2-CB 4.02Å; W810-N824 HydrophobicContact CE3-CB 4.05Å; W810-N824 HydrophobicContact CG-CB 4.17Å; W810-Y829 AromaticContact CZ2-CE1 3.99Å; W810-Y829 HydrophobicContact CZ2-CE1 3.99Å; W810-R831 PolarHBondContact O-NH1 3.21Å; W810-R831 VanDerWaalsContact O-NH1 3.15Å; W810-V834 WeakPolarHBondContact O-CG2 3.49Å; W810-I861 HydrophobicContact CE3-CG2 4.42Å; W810-I861 HydrophobicContact CH2-CB 4.31Å; W810-I861 HydrophobicContact CH2-CD1 3.97Å; W810-I861 HydrophobicContact CH2-CG2 3.87Å; W810-I861 HydrophobicContact CZ3-CG2 3.67Å; W810-V886 HydrophobicContact CZ3-CB 4.17Å; W810-V886 HydrophobicContact CZ3-CG2 3.99Å; W810-W889 HydrophobicContact CH2-CE3 4.2Å; W810-W889 HydrophobicContact CH2-CZ3 4.11Å; W810-W889 HydrophobicContact CZ2-CZ3 4.32Å |
| 811 | A | 86.4 | Confident | 80.8 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 156.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L822 V862 F865 | A811-L822 HydrophobicContact CB-CB 4.3Å; A811-L822 HydrophobicContact CB-CD2 4.32Å; A811-L822 PolarHBondContact O-N 3.23Å; A811-V862 HydrophobicContact CB-CG1 3.9Å; A811-V862 HydrophobicContact CB-CG2 4.28Å; A811-F865 HydrophobicContact CB-CD1 4.34Å; A811-F865 HydrophobicContact CB-CE1 4.23Å |
| 812 | F | 90.2 | Very high | 82.1 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 162.7 | 162.2 | -63 | -78.5 | 0 | 0 | 0 | 110.2 | L753 I760 I809 R816 N820 I821 V834 W835 Q866 | L753-F812 HydrophobicContact CD2-CD1 3.99Å; L753-F812 HydrophobicContact CD2-CE1 3.61Å; L753-F812 HydrophobicContact CD2-CZ 4.43Å; I760-F812 HydrophobicContact CG2-CB 4.06Å; I760-F812 HydrophobicContact CG2-CD2 3.37Å; I760-F812 HydrophobicContact CG2-CE2 3.94Å; I760-F812 HydrophobicContact CG2-CG 3.8Å; I809-F812 HydrophobicContact CD1-CE1 4.22Å; I809-F812 HydrophobicContact CD1-CZ 4.07Å; I809-F812 HydrophobicContact CG2-CD2 4.46Å; I809-F812 HydrophobicContact CG2-CE1 4.08Å; I809-F812 HydrophobicContact CG2-CE2 4Å; I809-F812 HydrophobicContact CG2-CZ 3.8Å; F812-R816 VanDerWaalsContact O-CA 3.3Å; F812-R816 WeakPolarHBondContact O-CA 3.28Å; F812-N820 CarbonylContact C-O 3.59Å; F812-N820 WeakPolarHBondContact CA-O 3.32Å; F812-I821 HydrophobicContact CD1-CG1 4.16Å; F812-I821 HydrophobicContact CE1-CD1 4.49Å; F812-I821 HydrophobicContact CE1-CG1 4.19Å; F812-V834 HydrophobicContact CD2-CG1 4.31Å; F812-V834 HydrophobicContact CE2-CG1 3.93Å; F812-W835 HydrophobicContact CZ-CZ2 4.4Å; F812-Q866 PolarHBondContact O-NE2 3.15Å |
| 813 | G | 84.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 158.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | G818 N820 | G813-G818 PolarHBondContact N-O 3.38Å; G813-G818 CarbonylContact O-C 3.47Å; G813-G818 VanDerWaalsContact O-CA 3.25Å; G813-G818 WeakPolarHBondContact O-CA 3.32Å; G813-N820 PolarHBondContact N-O 2.95Å; G813-N820 VanDerWaalsContact O-CB 3.22Å; G813-N820 WeakPolarHBondContact O-CB 3.05Å; G813-N820 PolarHBondContact O-N 2.93Å; G813-N820 PolarHBondContact O-ND2 2.79Å |
| 814 | P | 83.6 | Confident | 83.9 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 12% | 0.123 | 16% | 0.156 | C | C | . | . | S | Bend | cis | -72.5 | 177.2 | -3 | 32.1 | -38.3 | 0 | 0 | 0 | 113.2 | R816 Y817 G818 N820 T869 L870 P878 | P814-R816 PolarHBondContact O-N 3.37Å; P814-Y817 PolarHBondContact O-N 2.88Å; P814-G818 PolarHBondContact O-N 3.09Å; P814-N820 WeakPolarHBondContact CD-ND2 3.42Å; P814-T869 WeakPolarHBondContact CA-OG1 3.44Å; P814-L870 HydrophobicContact CB-CB 4.26Å; P814-L870 HydrophobicContact CB-CD1 4.38Å; P814-P878 HydrophobicContact CG-CB 4.38Å |
| 815 | R | 82.5 | Confident | 84.5 | Confident | 169 Ų | 169 | 32.1 Ų | 32.1 | 64% | 0.638 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 21.2 | 177.7 | -58.9 | -176.8 | 175.5 | -176.3 | -2.4 | 115.7 | Y817 | R815-Y817 VanDerWaalsContact C-N 3.26Å; R815-Y817 HydrophobicContact CB-CD1 4.08Å; R815-Y817 HydrophobicContact CB-CE1 3.53Å; R815-Y817 WeakPolarHBondContact O-CD1 3.45Å; R815-Y817 WeakPolarHBondContact O-CE1 3.21Å; R815-Y817 PolarHBondContact O-N 3.03Å |
| 816 | R | 84.3 | Confident | 84.9 | Confident | 80 Ų | 80 | 32.9 Ų | 32.9 | 30% | 0.302 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 6.2 | -177 | -55.5 | 172 | 174.9 | -114.2 | 4.1 | 116.4 | E764 F812 P814 Q866 | E764-R816 HydrophobicContact CG-CB 3.96Å; E764-R816 WeakPolarHBondContact OE1-CD 3.39Å; E764-R816 IonicContact OE1-CZ 3.22Å; E764-R816 IonicContact OE1-NE 2.82Å; E764-R816 IonicContact OE1-NH1 3.63Å; E764-R816 PolarHBondContact OE1-NH1 3.38Å; F812-R816 VanDerWaalsContact O-CA 3.3Å; F812-R816 WeakPolarHBondContact O-CA 3.28Å; P814-R816 PolarHBondContact O-N 3.37Å; R816-Q866 HydrophobicContact CG-CG 4.22Å |
| 817 | Y | 85.1 | Confident | 84.3 | Confident | 62 Ų | 62 | 42.1 Ų | 42.1 | 24% | 0.243 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -141.1 | 5.5 | 179.2 | 64 | -96.3 | 0 | 0 | 0 | 115.3 | R761 P814 R815 | R761-Y817 HydrophobicContact CB-CD1 4.36Å; R761-Y817 HydrophobicContact CB-CG 4.2Å; R761-Y817 HydrophobicContact CG-CD1 4.14Å; R761-Y817 HydrophobicContact CG-CG 4.46Å; P814-Y817 PolarHBondContact O-N 2.88Å; R815-Y817 VanDerWaalsContact C-N 3.26Å; R815-Y817 HydrophobicContact CB-CD1 4.08Å; R815-Y817 HydrophobicContact CB-CE1 3.53Å; R815-Y817 WeakPolarHBondContact O-CD1 3.45Å; R815-Y817 WeakPolarHBondContact O-CE1 3.21Å; R815-Y817 PolarHBondContact O-N 3.03Å |
| 818 | G | 85.6 | Confident | 83.8 | Confident | 9 Ų | 9 | 45 Ų | 45 | 9% | 0.093 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -81.3 | 174.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G813 P814 N820 | G813-G818 PolarHBondContact N-O 3.38Å; G813-G818 CarbonylContact O-C 3.47Å; G813-G818 VanDerWaalsContact O-CA 3.25Å; G813-G818 WeakPolarHBondContact O-CA 3.32Å; P814-G818 PolarHBondContact O-N 3.09Å; G818-N820 PolarHBondContact O-N 3.31Å; G818-N820 VanDerWaalsContact O-N 3.11Å |
| 819 | P | 89.4 | Confident | 83.3 | Confident | 18 Ų | 18 | 39.7 Ų | 39.7 | 12% | 0.117 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -83.2 | 22.5 | -168.9 | 36.7 | -39.4 | 0 | 0 | 0 | 115.2 | T750 L753 M880 | T750-P819 HydrophobicContact CG2-CB 4.03Å; L753-P819 HydrophobicContact CB-CB 4.03Å; P819-M880 HydrophobicContact CG-CE 4.33Å; P819-M880 HydrophobicContact CG-CG 3.95Å |
| 820 | N | 91.8 | Very high | 81.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 148.6 | 172.6 | -53.5 | -76.9 | 0 | 0 | 0 | 109.9 | F812 G813 P814 G818 F865 T869 L879 M880 G881 V882 | F812-N820 CarbonylContact C-O 3.59Å; F812-N820 WeakPolarHBondContact CA-O 3.32Å; G813-N820 PolarHBondContact N-O 2.95Å; G813-N820 VanDerWaalsContact O-CB 3.22Å; G813-N820 WeakPolarHBondContact O-CB 3.05Å; G813-N820 PolarHBondContact O-N 2.93Å; G813-N820 PolarHBondContact O-ND2 2.79Å; P814-N820 WeakPolarHBondContact CD-ND2 3.42Å; G818-N820 PolarHBondContact O-N 3.31Å; G818-N820 VanDerWaalsContact O-N 3.11Å; N820-F865 HydrophobicContact CB-CZ 4.41Å; N820-T869 HydrophobicContact CB-CG2 3.94Å; N820-L879 PolarHBondContact ND2-O 3.38Å; N820-M880 WeakPolarHBondContact OD1-CA 3.43Å; N820-G881 PolarHBondContact OD1-N 3.3Å; N820-V882 VanDerWaalsContact CA-O 3.26Å; N820-V882 WeakPolarHBondContact CA-O 3.33Å; N820-V882 WeakPolarHBondContact CB-O 3.2Å; N820-V882 PolarHBondContact OD1-N 3.36Å; N820-V882 PolarHBondContact OD1-O 3.34Å |
| 821 | I | 91.5 | Very high | 81 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.2 | -176.5 | -62.8 | -179.5 | 0 | 0 | 0 | 110.3 | L745 L753 I809 F812 L823 V882 C883 F884 | L745-I821 HydrophobicContact CD2-CD1 4.02Å; L745-I821 HydrophobicContact CD2-CG1 4.3Å; L753-I821 HydrophobicContact CD1-CD1 4.18Å; L753-I821 HydrophobicContact CD1-CG1 4.09Å; I809-I821 HydrophobicContact CD1-CD1 4.36Å; I809-I821 HydrophobicContact CG1-CG2 3.98Å; I809-I821 HydrophobicContact CG2-CG2 4.34Å; F812-I821 HydrophobicContact CD1-CG1 4.16Å; F812-I821 HydrophobicContact CE1-CD1 4.49Å; F812-I821 HydrophobicContact CE1-CG1 4.19Å; I821-L823 HydrophobicContact CG2-CD2 3.66Å; I821-L823 HydrophobicContact CG2-CG 3.94Å; I821-V882 PolarHBondContact N-O 2.99Å; I821-V882 VanDerWaalsContact N-O 3.15Å; I821-C883 CarbonylContact O-C 3.55Å; I821-C883 VanDerWaalsContact O-CA 3.31Å; I821-C883 WeakPolarHBondContact O-CA 3.39Å; I821-F884 PolarHBondContact O-N 3.43Å |
| 822 | L | 90.9 | Very high | 79.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 123.4 | 162.1 | -176.4 | 68 | 0 | 0 | 0 | 109 | W810 A811 I861 V862 F865 F884 V886 M950 | W810-L822 HydrophobicContact CB-CD2 4.29Å; W810-L822 HydrophobicContact CB-CG 4.23Å; W810-L822 WeakPolarHBondContact CB-O 3.21Å; W810-L822 HydrophobicContact CD2-CD2 4.23Å; W810-L822 HydrophobicContact CE3-CD2 3.77Å; W810-L822 HydrophobicContact CE3-CG 4.01Å; W810-L822 HydrophobicContact CG-CD2 4.48Å; W810-L822 PolarHBondContact N-O 2.98Å; A811-L822 HydrophobicContact CB-CB 4.3Å; A811-L822 HydrophobicContact CB-CD2 4.32Å; A811-L822 PolarHBondContact O-N 3.23Å; L822-I861 HydrophobicContact CD2-CG2 4.39Å; L822-V862 HydrophobicContact CD2-CG2 4.37Å; L822-F865 HydrophobicContact CB-CD1 3.93Å; L822-F865 HydrophobicContact CB-CD2 4.06Å; L822-F865 HydrophobicContact CB-CE1 3.78Å; L822-F865 HydrophobicContact CB-CE2 3.9Å; L822-F865 HydrophobicContact CB-CG 4.07Å; L822-F865 HydrophobicContact CB-CZ 3.76Å; L822-F865 HydrophobicContact CD1-CB 4.34Å; L822-F865 HydrophobicContact CD1-CD2 3.89Å; L822-F865 HydrophobicContact CD1-CE2 4.38Å; L822-F865 HydrophobicContact CD1-CG 4.08Å; L822-F865 HydrophobicContact CD2-CB 4.13Å; L822-F865 HydrophobicContact CD2-CD1 4.1Å; L822-F865 HydrophobicContact CD2-CG 4.04Å; L822-F865 HydrophobicContact CG-CD1 4.48Å; L822-F865 HydrophobicContact CG-CD2 4.41Å; L822-F865 HydrophobicContact CG-CG 4.29Å; L822-F884 CarbonylContact C-O 3.51Å; L822-F884 WeakPolarHBondContact CA-O 3.12Å; L822-F884 HydrophobicContact CD1-CB 4.18Å; L822-V886 HydrophobicContact CD1-CG2 4.02Å; L822-M950 HydrophobicContact CD1-CE 3.83Å |
| 823 | L | 89 | Confident | 78.4 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 136.7 | 174.8 | -65.3 | -178.1 | 0 | 0 | 0 | 111.3 | W802 A805 R808 I809 I821 C883 F884 V886 | W802-L823 HydrophobicContact CE3-CD1 4.3Å; W802-L823 HydrophobicContact CZ3-CD1 4.16Å; A805-L823 HydrophobicContact CB-CD1 4.02Å; A805-L823 HydrophobicContact CB-CD2 4.24Å; A805-L823 VanDerWaalsContact O-CD2 3.32Å; A805-L823 WeakPolarHBondContact O-CD2 3.42Å; R808-L823 HydrophobicContact CB-CD2 4.46Å; R808-L823 WeakPolarHBondContact O-CA 3.49Å; I809-L823 HydrophobicContact CG1-CD2 3.9Å; I821-L823 HydrophobicContact CG2-CD2 3.66Å; I821-L823 HydrophobicContact CG2-CG 3.94Å; L823-C883 VanDerWaalsContact CD1-SG 3.54Å; L823-F884 PolarHBondContact N-O 2.93Å; L823-V886 PolarHBondContact O-N 2.75Å |
| 824 | N | 85.9 | Confident | 77.5 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 116.5 | 164.9 | 179.7 | 14 | 0 | 0 | 0 | 110.1 | R808 W810 I826 Y829 | R808-N824 WeakPolarHBondContact CB-O 3.32Å; R808-N824 WeakPolarHBondContact CD-O 3.26Å; R808-N824 PolarHBondContact O-N 3.19Å; W810-N824 HydrophobicContact CB-CB 4.37Å; W810-N824 HydrophobicContact CD2-CB 4.02Å; W810-N824 HydrophobicContact CE3-CB 4.05Å; W810-N824 HydrophobicContact CG-CB 4.17Å; N824-I826 VanDerWaalsContact OD1-CB 3.29Å; N824-I826 WeakPolarHBondContact OD1-CB 3.48Å; N824-I826 WeakPolarHBondContact OD1-CD1 3.42Å; N824-I826 WeakPolarHBondContact OD1-CG1 3.23Å; N824-I826 PolarHBondContact OD1-N 3.43Å; N824-Y829 PolarHBondContact ND2-O 3.27Å |
| 825 | S | 80.7 | Confident | 76.7 | Confident | 38 Ų | 38 | 48.8 Ų | 48.8 | 27% | 0.266 | 25% | 0.245 | S | C | . | . | trans | -116.3 | 12.3 | 174.4 | -63.4 | 0 | 0 | 0 | 0 | 112.7 | S885 V886 | S825-S885 WeakPolarHBondContact CB-OG 3.37Å; S825-S885 PolarHBondContact OG-OG 2.77Å; S825-V886 CarbonylContact C-O 3.48Å; S825-V886 WeakPolarHBondContact CA-O 3.31Å; S825-V886 WeakPolarHBondContact CB-O 3.47Å; S825-V886 PolarHBondContact N-O 3.04Å | ||
| 826 | I | 80.1 | Confident | 75.8 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 11% | 0.113 | 23% | 0.226 | C | C | . | . | trans | -69.1 | 130.8 | 177.5 | -55.3 | 161.2 | 0 | 0 | 0 | 108.7 | N824 Y829 V886 W889 | N824-I826 VanDerWaalsContact OD1-CB 3.29Å; N824-I826 WeakPolarHBondContact OD1-CB 3.48Å; N824-I826 WeakPolarHBondContact OD1-CD1 3.42Å; N824-I826 WeakPolarHBondContact OD1-CG1 3.23Å; N824-I826 PolarHBondContact OD1-N 3.43Å; I826-Y829 HydrophobicContact CD1-CD1 4.36Å; I826-V886 HydrophobicContact CD1-CG1 4.07Å; I826-V886 HydrophobicContact CG1-CG1 4.24Å; I826-W889 HydrophobicContact CD1-CB 3.71Å; I826-W889 HydrophobicContact CD1-CE3 4.07Å; I826-W889 HydrophobicContact CG1-CB 4.47Å | ||
| 827 | K | 67 | Low | 74.5 | Confident | 198 Ų | 198 | 39.5 Ų | 39.5 | 86% | 0.861 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -71.7 | -37 | -174.5 | -66 | 176.7 | -177.3 | 172.6 | 0 | 113.3 | ||
| 828 | D | 65.1 | Low | 73.2 | Confident | 157 Ų | 157 | 38.3 Ų | 38.3 | 84% | 0.84 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -105.4 | 4 | -167.1 | -47.7 | -69.6 | 0 | 0 | 0 | 113 | ||
| 829 | Y | 67.4 | Low | 71.7 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | trans | -129.7 | 100.2 | 178.7 | -178.4 | -120.2 | 0 | 0 | 0 | 112 | W810 N824 I826 R831 S852 L854 R855 D858 W889 | W810-Y829 AromaticContact CZ2-CE1 3.99Å; W810-Y829 HydrophobicContact CZ2-CE1 3.99Å; N824-Y829 PolarHBondContact ND2-O 3.27Å; I826-Y829 HydrophobicContact CD1-CD1 4.36Å; Y829-R831 HydrophobicContact CE1-CB 4.26Å; Y829-S852 WeakPolarHBondContact CD2-OG 3.44Å; Y829-S852 WeakPolarHBondContact CE2-OG 3.21Å; Y829-L854 HydrophobicContact CD2-CB 4.3Å; Y829-L854 HydrophobicContact CD2-CD1 4.28Å; Y829-L854 HydrophobicContact CE2-CB 4.21Å; Y829-L854 HydrophobicContact CG-CD1 4.09Å; Y829-R855 WeakPolarHBondContact OH-CA 3.36Å; Y829-D858 WeakPolarHBondContact CE1-OD1 3.33Å; Y829-D858 PolarHBondContact OH-OD1 3.17Å; Y829-W889 HydrophobicContact CD1-CE3 4.48Å; Y829-W889 HydrophobicContact CD1-CZ3 4.37Å; Y829-W889 HydrophobicContact CE1-CZ3 4.07Å | ||
| 830 | S | 56.9 | Low | 69.8 | Low | 116 Ų | 116 | 48.8 Ų | 48.8 | 81% | 0.811 | 25% | 0.248 | S | C | * | . | trans | -99.5 | 112.1 | 171.5 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 831 | R | 62.4 | Low | 67.4 | Low | 31 Ų | 31 | 55.8 Ų | 55.8 | 12% | 0.117 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 137 | 163.7 | -170.6 | -127.7 | -135 | 167.6 | 17.9 | 107.8 | W810 Y829 D858 | W810-R831 PolarHBondContact O-NH1 3.21Å; W810-R831 VanDerWaalsContact O-NH1 3.15Å; Y829-R831 HydrophobicContact CE1-CB 4.26Å; R831-D858 IonicContact CZ-OD2 3.52Å; R831-D858 IonicContact NE-OD2 2.73Å; R831-D858 PolarHBondContact NE-OD2 3.28Å; R831-D858 IonicContact NH2-OD2 2.79Å; R831-D858 PolarHBondContact NH2-OD2 3.49Å |
| 832 | P | 60.2 | Low | 65 | Low | 67 Ų | 67 | 64 Ų | 64 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 147.1 | 170.7 | 22.8 | -35.6 | 0 | 0 | 0 | 111.6 | Q836 | P832-Q836 HydrophobicContact CB-CG 3.79Å; P832-Q836 HydrophobicContact CG-CG 4.34Å; P832-Q836 PolarHBondContact O-NE2 3.25Å |
| 833 | S | 62.8 | Low | 62.4 | Low | 10 Ų | 10 | 66.4 Ų | 66.4 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 171.6 | -164.8 | 78.5 | 0 | 0 | 0 | 0 | 113.2 | E807 W835 Q836 E839 | E807-S833 VanDerWaalsContact O-CB 3.24Å; E807-S833 WeakPolarHBondContact O-CB 3.29Å; S833-W835 PolarHBondContact O-N 3.44Å; S833-W835 VanDerWaalsContact O-N 3.15Å; S833-W835 WeakPolarHBondContact OG-CA 3.43Å; S833-W835 VanDerWaalsContact OG-CB 3.31Å; S833-W835 WeakPolarHBondContact OG-CB 3.31Å; S833-W835 PolarHBondContact OG-N 2.88Å; S833-Q836 WeakPolarHBondContact O-CG 3.2Å; S833-Q836 PolarHBondContact O-N 3.03Å; S833-Q836 PolarHBondContact O-NE2 3.13Å; S833-E839 PolarHBondContact OG-OE1 3Å |
| 834 | V | 64.4 | Low | 59.9 | Low | 4 Ų | 4 | 74.1 Ų | 74.1 | 2% | 0.024 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.8 | 167.5 | 170.7 | 0 | 0 | 0 | 0 | 112.1 | L763 N767 I809 W810 F812 Q836 | L763-V834 HydrophobicContact CD2-CG1 3.92Å; L763-V834 HydrophobicContact CG-CG1 4.34Å; N767-V834 PolarHBondContact ND2-O 2.98Å; I809-V834 HydrophobicContact CG2-CB 4.36Å; I809-V834 HydrophobicContact CG2-CG2 4.22Å; I809-V834 WeakPolarHBondContact O-CG2 3.3Å; I809-V834 PolarHBondContact O-N 3.31Å; W810-V834 WeakPolarHBondContact O-CG2 3.49Å; F812-V834 HydrophobicContact CD2-CG1 4.31Å; F812-V834 HydrophobicContact CE2-CG1 3.93Å; V834-Q836 PolarHBondContact O-N 3.01Å |
| 835 | W | 67.8 | Low | 57.6 | Low | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 13.9 | -179.8 | -44.4 | 101.1 | 0 | 0 | 0 | 114.7 | L763 I786 L789 K790 V806 I809 F812 S833 C837 L838 | L763-W835 HydrophobicContact CD2-CE3 4.09Å; L763-W835 HydrophobicContact CD2-CZ3 4.07Å; I786-W835 HydrophobicContact CG2-CE3 3.73Å; I786-W835 HydrophobicContact CG2-CZ3 3.83Å; I786-W835 WeakPolarHBondContact O-CZ3 3.33Å; L789-W835 HydrophobicContact CD2-CH2 4.46Å; L789-W835 HydrophobicContact CG-CH2 4.48Å; K790-W835 HydrophobicContact CB-CD2 4.29Å; K790-W835 HydrophobicContact CB-CE3 4.04Å; K790-W835 HydrophobicContact CB-CH2 3.95Å; K790-W835 HydrophobicContact CB-CZ2 4.2Å; K790-W835 HydrophobicContact CB-CZ3 3.86Å; K790-W835 HydrophobicContact CD-CD2 4.18Å; K790-W835 HydrophobicContact CD-CG 4.22Å; K790-W835 HydrophobicContact CG-CD2 4.08Å; K790-W835 HydrophobicContact CG-CE3 4.35Å; K790-W835 HydrophobicContact CG-CH2 4.4Å; K790-W835 HydrophobicContact CG-CZ2 4.14Å; K790-W835 HydrophobicContact CG-CZ3 4.49Å; V806-W835 HydrophobicContact CG1-CZ2 3.96Å; V806-W835 PolarHBondContact O-NE1 2.95Å; I809-W835 HydrophobicContact CD1-CZ2 4.2Å; F812-W835 HydrophobicContact CZ-CZ2 4.4Å; S833-W835 PolarHBondContact O-N 3.44Å; S833-W835 VanDerWaalsContact O-N 3.15Å; S833-W835 WeakPolarHBondContact OG-CA 3.43Å; S833-W835 VanDerWaalsContact OG-CB 3.31Å; S833-W835 WeakPolarHBondContact OG-CB 3.31Å; S833-W835 PolarHBondContact OG-N 2.88Å; W835-C837 PolarHBondContact O-N 2.87Å; W835-L838 HydrophobicContact CB-CD1 4.32Å; W835-L838 HydrophobicContact CE3-CD1 4.45Å; W835-L838 WeakPolarHBondContact O-CB 3.22Å; W835-L838 PolarHBondContact O-N 2.9Å |
| 836 | Q | 64.1 | Low | 55.4 | Low | 52 Ų | 52 | 86.1 Ų | 86.1 | 24% | 0.243 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -44.6 | -35.8 | 178.4 | -87.2 | 162.4 | 74.8 | 0 | 0 | 114.7 | P832 S833 V834 L838 E839 W840 | P832-Q836 HydrophobicContact CB-CG 3.79Å; P832-Q836 HydrophobicContact CG-CG 4.34Å; P832-Q836 PolarHBondContact O-NE2 3.25Å; S833-Q836 WeakPolarHBondContact O-CG 3.2Å; S833-Q836 PolarHBondContact O-N 3.03Å; S833-Q836 PolarHBondContact O-NE2 3.13Å; V834-Q836 PolarHBondContact O-N 3.01Å; Q836-L838 PolarHBondContact O-N 3.1Å; Q836-E839 PolarHBondContact O-N 2.96Å; Q836-W840 PolarHBondContact O-N 2.87Å |
| 837 | C | 56.7 | Low | 53.3 | Low | 2 Ų | 2 | 91.4 Ų | 91.4 | 1% | 0.014 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -57.4 | -29.9 | 175.7 | -67.9 | 0 | 0 | 0 | 0 | 114.2 | L763 M766 N767 L783 W835 | L763-C837 HydrophobicContact CD1-CB 4.12Å; M766-C837 VanDerWaalsContact CB-SG 3.59Å; N767-C837 PolarHBondContact OD1-SG 3.32Å; L783-C837 HydrophobicContact CD2-CB 3.96Å; W835-C837 PolarHBondContact O-N 2.87Å |
| 838 | L | 57.4 | Low | 51.9 | Low | 37 Ų | 37 | 93.5 Ų | 93.5 | 19% | 0.194 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -82.1 | -39.9 | 176 | -57.9 | 179.4 | 0 | 0 | 0 | 111.6 | L783 I786 A787 K790 W835 Q836 W840 | L783-L838 HydrophobicContact CB-CD2 4.01Å; L783-L838 HydrophobicContact CD2-CD2 4.07Å; L783-L838 WeakPolarHBondContact O-CD2 3.26Å; I786-L838 HydrophobicContact CB-CD2 4.49Å; I786-L838 HydrophobicContact CG2-CD1 4.16Å; I786-L838 HydrophobicContact CG2-CD2 4.11Å; I786-L838 HydrophobicContact CG2-CG 4.17Å; A787-L838 HydrophobicContact CB-CD1 4.24Å; A787-L838 HydrophobicContact CB-CD2 4.37Å; K790-L838 HydrophobicContact CD-CD1 4.26Å; W835-L838 HydrophobicContact CB-CD1 4.32Å; W835-L838 HydrophobicContact CE3-CD1 4.45Å; W835-L838 WeakPolarHBondContact O-CB 3.22Å; W835-L838 PolarHBondContact O-N 2.9Å; Q836-L838 PolarHBondContact O-N 3.1Å; L838-W840 VanDerWaalsContact C-N 3.26Å; L838-W840 PolarHBondContact O-N 3.23Å |
| 839 | E | 55 | Low | 50.6 | Low | 75 Ų | 75 | 89.7 Ų | 89.7 | 35% | 0.35 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.2 | -25.1 | -174.4 | -65.5 | 165.2 | -162.5 | 0 | 0 | 112.5 | S833 Q836 R841 H842 S843 | S833-E839 PolarHBondContact OG-OE1 3Å; Q836-E839 PolarHBondContact O-N 2.96Å; E839-R841 PolarHBondContact O-N 3.36Å; E839-R841 VanDerWaalsContact O-N 3.14Å; E839-H842 PolarHBondContact O-N 2.98Å; E839-H842 VanDerWaalsContact O-N 3.08Å; E839-S843 PolarHBondContact O-N 2.92Å |
| 840 | W | 48.7 | Very low | 49.2 | Very low | 172 Ų | 172 | 95 Ų | 95 | 65% | 0.652 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.6 | 179.6 | -169 | 64.9 | 0 | 0 | 0 | 114.2 | I778 Q836 L838 H842 | I778-W840 HydrophobicContact CD1-CE3 3.96Å; I778-W840 HydrophobicContact CD1-CZ3 4.05Å; Q836-W840 PolarHBondContact O-N 2.87Å; L838-W840 VanDerWaalsContact C-N 3.26Å; L838-W840 PolarHBondContact O-N 3.23Å; W840-H842 VanDerWaalsContact C-N 3.34Å; W840-H842 PolarHBondContact O-N 3.44Å |
| 841 | R | 41.4 | Very low | 48.5 | Very low | 147 Ų | 147 | 93.2 Ų | 93.2 | 56% | 0.555 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -18.1 | 178.9 | -77.5 | -172.4 | 169.4 | -173.3 | -2.7 | 115.1 | L780 E839 | L780-R841 VanDerWaalsContact CD2-NH1 3.31Å; E839-R841 PolarHBondContact O-N 3.36Å; E839-R841 VanDerWaalsContact O-N 3.14Å |
| 842 | H | 41 | Very low | 48.3 | Very low | 174 Ų | 174 | 93.7 Ų | 93.7 | 81% | 0.806 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.1 | -8.2 | -173 | -73.1 | -75.7 | 0 | 0 | 0 | 114.3 | E839 W840 | E839-H842 PolarHBondContact O-N 2.98Å; E839-H842 VanDerWaalsContact O-N 3.08Å; W840-H842 VanDerWaalsContact C-N 3.34Å; W840-H842 PolarHBondContact O-N 3.44Å |
| 843 | S | 36.8 | Very low | 48.4 | Very low | 50 Ų | 50 | 94.3 Ų | 94.3 | 35% | 0.35 | 49% | 0.493 | S | S | . | . | trans | -120.7 | 59.3 | -170.6 | -58.1 | 0 | 0 | 0 | 0 | 112.9 | E839 D845 | E839-S843 PolarHBondContact O-N 2.92Å; S843-D845 PolarHBondContact O-N 2.77Å | ||
| 844 | N | 35.2 | Very low | 48.5 | Very low | 176 Ų | 176 | 95.1 Ų | 95.1 | 94% | 0.941 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -75.5 | -4.5 | 166.3 | -141.2 | 24.4 | 0 | 0 | 0 | 112.3 | ||
| 845 | D | 37.8 | Very low | 48.7 | Very low | 150 Ų | 150 | 102.1 Ų | 102.1 | 80% | 0.802 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -143.7 | 78.9 | -179.1 | -164.2 | 9.1 | 0 | 0 | 0 | 110.4 | S843 | S843-D845 PolarHBondContact O-N 2.77Š|
| 846 | Q | 35.7 | Very low | 48.8 | Very low | 155 Ų | 155 | 105.9 Ų | 105.9 | 72% | 0.724 | 54% | 0.542 | S | S | * | . | trans | -132.9 | 125.2 | 162.4 | -75.5 | -160.6 | 13.8 | 0 | 0 | 110.7 | R848 | Q846-R848 PolarHBondContact O-N 2.94Š| ||
| 847 | V | 35.3 | Very low | 49.4 | Very low | 134 Ų | 134 | 104.7 Ų | 104.7 | 81% | 0.812 | 54% | 0.536 | S | S | * | . | trans | -56.5 | 131.7 | 175.1 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | A849 | V847-A849 PolarHBondContact O-N 3.37Š| ||
| 848 | R | 38.8 | Very low | 50.4 | Low | 241 Ų | 241 | 105 Ų | 105 | 91% | 0.909 | 54% | 0.538 | S | S | * | . | trans | -57.8 | 104.9 | 169.2 | -76.2 | -178.2 | 174.2 | -179.3 | -2 | 109.2 | Q846 | Q846-R848 PolarHBondContact O-N 2.94Š| ||
| 849 | A | 37.5 | Very low | 51.6 | Low | 78 Ų | 78 | 105.8 Ų | 105.8 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | trans | -54.2 | 141.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | V847 A851 | V847-A849 PolarHBondContact O-N 3.37Å; A849-A851 PolarHBondContact O-N 2.97Å | ||
| 850 | P | 36.6 | Very low | 53.2 | Low | 125 Ų | 125 | 102.3 Ų | 102.3 | 81% | 0.812 | 53% | 0.526 | S | S | * | . | trans | -58.8 | 130.6 | -176.8 | 24.4 | -33.9 | 0 | 0 | 0 | 110.1 | S852 | P850-S852 PolarHBondContact O-N 2.81Å; P850-S852 VanDerWaalsContact O-N 3.08Å | ||
| 851 | A | 43.7 | Very low | 55 | Low | 78 Ų | 78 | 94.1 Ų | 94.1 | 65% | 0.645 | 50% | 0.495 | S | S | * | . | trans | -67.7 | 109.6 | 179 | 0 | 0 | 0 | 0 | 0 | 109.5 | A849 | A849-A851 PolarHBondContact O-N 2.97Š| ||
| 852 | S | 57.8 | Low | 57.2 | Low | 40 Ų | 40 | 87.2 Ų | 87.2 | 28% | 0.28 | 47% | 0.469 | S | S | . | . | trans | -71.2 | 147.6 | 168 | 59.7 | 0 | 0 | 0 | 0 | 109.7 | Y829 P850 L854 R855 | Y829-S852 WeakPolarHBondContact CD2-OG 3.44Å; Y829-S852 WeakPolarHBondContact CE2-OG 3.21Å; P850-S852 PolarHBondContact O-N 2.81Å; P850-S852 VanDerWaalsContact O-N 3.08Å; S852-L854 PolarHBondContact O-N 2.93Å; S852-R855 WeakPolarHBondContact O-CB 3.47Å; S852-R855 PolarHBondContact O-N 2.88Å | ||
| 853 | P | 61.1 | Low | 59.5 | Low | 80 Ų | 80 | 80.8 Ų | 80.8 | 52% | 0.519 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -63.6 | -13.1 | 178.7 | 26.5 | -35.5 | 0 | 0 | 0 | 113.3 | R855 F857 | P853-R855 VanDerWaalsContact C-N 3.26Å; P853-R855 PolarHBondContact O-N 3.49Å; P853-F857 WeakPolarHBondContact O-CD2 3.47Å |
| 854 | L | 65.8 | Low | 62.1 | Low | 27 Ų | 27 | 78.4 Ų | 78.4 | 14% | 0.141 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -63.3 | -30.7 | 170.6 | -60.4 | 179.4 | 0 | 0 | 0 | 112.4 | Y829 S852 D856 F857 D858 W889 V891 | Y829-L854 HydrophobicContact CD2-CB 4.3Å; Y829-L854 HydrophobicContact CD2-CD1 4.28Å; Y829-L854 HydrophobicContact CE2-CB 4.21Å; Y829-L854 HydrophobicContact CG-CD1 4.09Å; S852-L854 PolarHBondContact O-N 2.93Å; L854-D856 PolarHBondContact O-N 3.01Å; L854-F857 PolarHBondContact O-N 2.86Å; L854-D858 PolarHBondContact O-N 2.93Å; L854-W889 HydrophobicContact CB-CE3 4.27Å; L854-W889 HydrophobicContact CB-CH2 3.98Å; L854-W889 HydrophobicContact CB-CZ3 3.8Å; L854-W889 HydrophobicContact CD1-CE3 4.32Å; L854-W889 HydrophobicContact CD2-CD2 4.02Å; L854-W889 HydrophobicContact CD2-CE3 4.2Å; L854-W889 HydrophobicContact CD2-CH2 4.35Å; L854-W889 HydrophobicContact CD2-CZ2 4.12Å; L854-W889 HydrophobicContact CD2-CZ3 4.37Å; L854-W889 HydrophobicContact CG-CE3 4.5Å; L854-W889 HydrophobicContact CG-CZ3 4.49Å; L854-W889 WeakPolarHBondContact O-CH2 3.1Å; L854-V891 HydrophobicContact CD2-CB 3.85Å; L854-V891 HydrophobicContact CD2-CG2 3.53Å |
| 855 | R | 69.3 | Low | 64.8 | Low | 151 Ų | 151 | 70 Ų | 70 | 57% | 0.57 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -60.3 | -32.4 | -172.9 | -174.9 | 176.1 | 176 | 166.7 | 0.3 | 113.5 | Y829 S852 P853 F857 D858 | Y829-R855 WeakPolarHBondContact OH-CA 3.36Å; S852-R855 WeakPolarHBondContact O-CB 3.47Å; S852-R855 PolarHBondContact O-N 2.88Å; P853-R855 VanDerWaalsContact C-N 3.26Å; P853-R855 PolarHBondContact O-N 3.49Å; R855-F857 VanDerWaalsContact C-N 3.29Å; R855-F857 PolarHBondContact O-N 3.15Å; R855-D858 WeakPolarHBondContact O-CB 3.38Å; R855-D858 PolarHBondContact O-N 3.19Å |
| 856 | D | 69.8 | Low | 67.4 | Low | 79 Ų | 79 | 63.9 Ų | 63.9 | 42% | 0.422 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -73.7 | -26.6 | -178.3 | -56.9 | -24.2 | 0 | 0 | 0 | 111.8 | L854 C938 | L854-D856 PolarHBondContact O-N 3.01Å; D856-C938 HydrophobicContact CB-CB 3.79Å; D856-C938 PolarHBondContact OD2-SG 3.22Å |
| 857 | F | 75.7 | Confident | 69.9 | Low | 27 Ų | 27 | 60.1 Ų | 60.1 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -91.5 | -2.3 | 179.9 | -64.5 | -68.9 | 0 | 0 | 0 | 114.1 | P853 L854 R855 N859 S860 I861 W889 V891 V942 L946 | P853-F857 WeakPolarHBondContact O-CD2 3.47Å; L854-F857 PolarHBondContact O-N 2.86Å; R855-F857 VanDerWaalsContact C-N 3.29Å; R855-F857 PolarHBondContact O-N 3.15Å; F857-N859 PolarHBondContact O-N 2.92Å; F857-N859 VanDerWaalsContact O-N 3.14Å; F857-S860 WeakPolarHBondContact O-CA 3.29Å; F857-S860 WeakPolarHBondContact O-CB 3.48Å; F857-S860 PolarHBondContact O-N 2.88Å; F857-S860 PolarHBondContact O-OG 2.93Å; F857-I861 PolarHBondContact O-N 3.46Å; F857-W889 HydrophobicContact CB-CH2 3.74Å; F857-W889 HydrophobicContact CB-CZ2 3.53Å; F857-V891 HydrophobicContact CE2-CG1 4.42Å; F857-V942 HydrophobicContact CE1-CB 4.44Å; F857-V942 HydrophobicContact CE1-CG1 4.33Å; F857-L946 HydrophobicContact CB-CD2 3.85Å; F857-L946 HydrophobicContact CD1-CD2 4.37Å; F857-L946 HydrophobicContact CG-CD2 4.31Å |
| 858 | D | 78.8 | Confident | 72.6 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.043 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -43 | -47.2 | 172 | -105.8 | 13.4 | 0 | 0 | 0 | 112.4 | Y829 R831 L854 R855 S860 I861 V862 | Y829-D858 WeakPolarHBondContact CE1-OD1 3.33Å; Y829-D858 PolarHBondContact OH-OD1 3.17Å; R831-D858 IonicContact CZ-OD2 3.52Å; R831-D858 IonicContact NE-OD2 2.73Å; R831-D858 PolarHBondContact NE-OD2 3.28Å; R831-D858 IonicContact NH2-OD2 2.79Å; R831-D858 PolarHBondContact NH2-OD2 3.49Å; L854-D858 PolarHBondContact O-N 2.93Å; R855-D858 WeakPolarHBondContact O-CB 3.38Å; R855-D858 PolarHBondContact O-N 3.19Å; D858-S860 VanDerWaalsContact C-N 3.25Å; D858-S860 PolarHBondContact O-N 2.75Å; D858-I861 PolarHBondContact O-N 2.89Å; D858-V862 WeakPolarHBondContact O-CG2 3.49Å; D858-V862 PolarHBondContact O-N 2.98Å |
| 859 | N | 82.6 | Confident | 75.1 | Confident | 54 Ų | 54 | 42.5 Ų | 42.5 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -67.4 | -28.9 | -175.5 | -72 | -37.3 | 0 | 0 | 0 | 111.5 | F857 S863 Y939 | F857-N859 PolarHBondContact O-N 2.92Å; F857-N859 VanDerWaalsContact O-N 3.14Å; N859-S863 WeakPolarHBondContact O-CB 3.49Å; N859-S863 PolarHBondContact O-N 3.1Å; N859-S863 PolarHBondContact O-OG 2.83Å; N859-Y939 PolarHBondContact ND2-OH 3.45Å |
| 860 | S | 87.1 | Confident | 77.5 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.7 | -48.3 | 176.9 | -43.7 | 0 | 0 | 0 | 0 | 110.8 | F857 D858 S863 G864 S943 I947 | F857-S860 WeakPolarHBondContact O-CA 3.29Å; F857-S860 WeakPolarHBondContact O-CB 3.48Å; F857-S860 PolarHBondContact O-N 2.88Å; F857-S860 PolarHBondContact O-OG 2.93Å; D858-S860 VanDerWaalsContact C-N 3.25Å; D858-S860 PolarHBondContact O-N 2.75Å; S860-S863 PolarHBondContact O-N 2.92Å; S860-G864 PolarHBondContact O-N 2.92Å; S860-S943 PolarHBondContact OG-OG 3.47Å; S860-I947 VanDerWaalsContact O-CG1 3.32Å; S860-I947 WeakPolarHBondContact O-CG1 2.94Å |
| 861 | I | 87.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.1 | -47.5 | 177.9 | -70.8 | -177.1 | 0 | 0 | 0 | 111.3 | W810 L822 F857 D858 S863 G864 F865 W889 L946 M950 | W810-I861 HydrophobicContact CE3-CG2 4.42Å; W810-I861 HydrophobicContact CH2-CB 4.31Å; W810-I861 HydrophobicContact CH2-CD1 3.97Å; W810-I861 HydrophobicContact CH2-CG2 3.87Å; W810-I861 HydrophobicContact CZ3-CG2 3.67Å; L822-I861 HydrophobicContact CD2-CG2 4.39Å; F857-I861 PolarHBondContact O-N 3.46Å; D858-I861 PolarHBondContact O-N 2.89Å; I861-S863 VanDerWaalsContact C-N 3.27Å; I861-S863 PolarHBondContact O-N 2.86Å; I861-G864 PolarHBondContact O-N 3.15Å; I861-F865 PolarHBondContact O-N 3.03Å; I861-W889 HydrophobicContact CD1-CD2 3.38Å; I861-W889 HydrophobicContact CD1-CE3 3.61Å; I861-W889 HydrophobicContact CD1-CG 3.91Å; I861-W889 HydrophobicContact CD1-CH2 3.8Å; I861-W889 HydrophobicContact CD1-CZ2 3.63Å; I861-W889 HydrophobicContact CD1-CZ3 3.8Å; I861-W889 HydrophobicContact CG1-CZ2 4.31Å; I861-L946 HydrophobicContact CG1-CD1 4.38Å; I861-L946 HydrophobicContact CG1-CD2 4.24Å; I861-L946 HydrophobicContact CG1-CG 4.26Å; I861-M950 HydrophobicContact CG2-CE 3.88Å; I861-M950 HydrophobicContact CG2-CG 4.12Å; I861-M950 HydrophobicContact CG2-SD 4.03Å |
| 862 | V | 88.4 | Confident | 81.8 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59 | -41.8 | 177.6 | 173 | 0 | 0 | 0 | 0 | 110.5 | A811 L822 D858 F865 Q866 | A811-V862 HydrophobicContact CB-CG1 3.9Å; A811-V862 HydrophobicContact CB-CG2 4.28Å; L822-V862 HydrophobicContact CD2-CG2 4.37Å; D858-V862 WeakPolarHBondContact O-CG2 3.49Å; D858-V862 PolarHBondContact O-N 2.98Å; V862-F865 PolarHBondContact O-N 3.1Å; V862-Q866 HydrophobicContact CG1-CG 4.47Å; V862-Q866 WeakPolarHBondContact O-CG 3.44Å; V862-Q866 PolarHBondContact O-N 3.43Å |
| 863 | S | 89.2 | Confident | 83.1 | Confident | 39 Ų | 39 | 32.1 Ų | 32.1 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -68.6 | -41 | 179.6 | -57.1 | 0 | 0 | 0 | 0 | 112.7 | N859 S860 I861 F865 Q866 L867 | N859-S863 WeakPolarHBondContact O-CB 3.49Å; N859-S863 PolarHBondContact O-N 3.1Å; N859-S863 PolarHBondContact O-OG 2.83Å; S860-S863 PolarHBondContact O-N 2.92Å; I861-S863 VanDerWaalsContact C-N 3.27Å; I861-S863 PolarHBondContact O-N 2.86Å; S863-F865 VanDerWaalsContact C-N 3.31Å; S863-F865 PolarHBondContact O-N 2.98Å; S863-Q866 PolarHBondContact O-N 3.02Å; S863-L867 WeakPolarHBondContact O-CG 3.35Å; S863-L867 PolarHBondContact O-N 2.84Å |
| 864 | G | 90.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S860 I861 L867 A868 I947 | S860-G864 PolarHBondContact O-N 2.92Å; I861-G864 PolarHBondContact O-N 3.15Å; G864-L867 PolarHBondContact O-N 3.31Å; G864-A868 PolarHBondContact O-N 3.5Å; G864-I947 WeakPolarHBondContact CA-O 3.32Å |
| 865 | F | 92.3 | Very high | 85 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.9 | -40.6 | 172.5 | 165 | -100.3 | 0 | 0 | 0 | 113.2 | A811 N820 L822 I861 V862 S863 L867 A868 T869 F884 M950 | A811-F865 HydrophobicContact CB-CD1 4.34Å; A811-F865 HydrophobicContact CB-CE1 4.23Å; N820-F865 HydrophobicContact CB-CZ 4.41Å; L822-F865 HydrophobicContact CB-CD1 3.93Å; L822-F865 HydrophobicContact CB-CD2 4.06Å; L822-F865 HydrophobicContact CB-CE1 3.78Å; L822-F865 HydrophobicContact CB-CE2 3.9Å; L822-F865 HydrophobicContact CB-CG 4.07Å; L822-F865 HydrophobicContact CB-CZ 3.76Å; L822-F865 HydrophobicContact CD1-CB 4.34Å; L822-F865 HydrophobicContact CD1-CD2 3.89Å; L822-F865 HydrophobicContact CD1-CE2 4.38Å; L822-F865 HydrophobicContact CD1-CG 4.08Å; L822-F865 HydrophobicContact CD2-CB 4.13Å; L822-F865 HydrophobicContact CD2-CD1 4.1Å; L822-F865 HydrophobicContact CD2-CG 4.04Å; L822-F865 HydrophobicContact CG-CD1 4.48Å; L822-F865 HydrophobicContact CG-CD2 4.41Å; L822-F865 HydrophobicContact CG-CG 4.29Å; I861-F865 PolarHBondContact O-N 3.03Å; V862-F865 PolarHBondContact O-N 3.1Å; S863-F865 VanDerWaalsContact C-N 3.31Å; S863-F865 PolarHBondContact O-N 2.98Å; F865-L867 VanDerWaalsContact C-N 3.3Å; F865-L867 PolarHBondContact O-N 2.86Å; F865-A868 PolarHBondContact O-N 3.33Å; F865-T869 HydrophobicContact CD2-CG2 3.94Å; F865-T869 HydrophobicContact CE1-CG2 4.49Å; F865-T869 HydrophobicContact CE2-CG2 3.48Å; F865-T869 VanDerWaalsContact CE2-CG2 3.48Å; F865-T869 HydrophobicContact CZ-CG2 3.8Å; F865-T869 PolarHBondContact O-N 2.92Å; F865-T869 PolarHBondContact O-OG1 3.46Å; F865-F884 HydrophobicContact CD2-CB 4.34Å; F865-F884 HydrophobicContact CD2-CD2 4.2Å; F865-F884 HydrophobicContact CD2-CG 4.46Å; F865-F884 HydrophobicContact CE2-CB 4.29Å; F865-F884 AromaticContact CE2-CD2 3.8Å; F865-F884 HydrophobicContact CE2-CD2 3.8Å; F865-F884 HydrophobicContact CE2-CG 4.39Å; F865-M950 HydrophobicContact CB-CE 4.17Å |
| 866 | Q | 91.6 | Very high | 85.8 | Confident | 22 Ų | 22 | 24.3 Ų | 24.3 | 10% | 0.103 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.3 | -37.9 | 174.2 | -64.3 | -48.5 | -43.1 | 0 | 0 | 111.8 | F812 R816 V862 S863 T869 L870 | F812-Q866 PolarHBondContact O-NE2 3.15Å; R816-Q866 HydrophobicContact CG-CG 4.22Å; V862-Q866 HydrophobicContact CG1-CG 4.47Å; V862-Q866 WeakPolarHBondContact O-CG 3.44Å; V862-Q866 PolarHBondContact O-N 3.43Å; S863-Q866 PolarHBondContact O-N 3.02Å; Q866-T869 PolarHBondContact O-OG1 3.29Å; Q866-L870 VanDerWaalsContact O-CB 3.28Å; Q866-L870 WeakPolarHBondContact O-CB 3.28Å; Q866-L870 PolarHBondContact O-N 2.76Å; Q866-L870 VanDerWaalsContact O-N 3.17Å |
| 867 | L | 90.1 | Very high | 86.7 | Confident | 76 Ų | 76 | 21.1 Ų | 21.1 | 40% | 0.398 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -70.2 | -42.1 | 176.5 | -67.7 | 173.9 | 0 | 0 | 0 | 112 | S863 G864 F865 L870 S871 I947 K951 | S863-L867 WeakPolarHBondContact O-CG 3.35Å; S863-L867 PolarHBondContact O-N 2.84Å; G864-L867 PolarHBondContact O-N 3.31Å; F865-L867 VanDerWaalsContact C-N 3.3Å; F865-L867 PolarHBondContact O-N 2.86Å; L867-L870 PolarHBondContact O-N 2.93Å; L867-S871 PolarHBondContact O-N 2.99Å; L867-S871 PolarHBondContact O-OG 3.47Å; L867-I947 HydrophobicContact CD1-CG2 3.76Å; L867-K951 HydrophobicContact CB-CD 3.99Å; L867-K951 HydrophobicContact CB-CG 4.19Å |
| 868 | A | 90.4 | Very high | 87.4 | Confident | 5 Ų | 5 | 20.9 Ų | 20.9 | 4% | 0.041 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.7 | -35 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G864 F865 L870 K951 C954 | G864-A868 PolarHBondContact O-N 3.5Å; F865-A868 PolarHBondContact O-N 3.33Å; A868-L870 VanDerWaalsContact C-N 3.3Å; A868-K951 HydrophobicContact CB-CG 4.12Å; A868-C954 HydrophobicContact CB-CB 3.42Å; A868-C954 VanDerWaalsContact CB-CB 3.42Å |
| 869 | T | 91.6 | Very high | 88 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -77 | -16.5 | 174.8 | 49.5 | 0 | 0 | 0 | 0 | 113.3 | P814 N820 F865 Q866 P878 L879 F884 | P814-T869 WeakPolarHBondContact CA-OG1 3.44Å; N820-T869 HydrophobicContact CB-CG2 3.94Å; F865-T869 HydrophobicContact CD2-CG2 3.94Å; F865-T869 HydrophobicContact CE1-CG2 4.49Å; F865-T869 HydrophobicContact CE2-CG2 3.48Å; F865-T869 VanDerWaalsContact CE2-CG2 3.48Å; F865-T869 HydrophobicContact CZ-CG2 3.8Å; F865-T869 PolarHBondContact O-N 2.92Å; F865-T869 PolarHBondContact O-OG1 3.46Å; Q866-T869 PolarHBondContact O-OG1 3.29Å; T869-P878 WeakPolarHBondContact O-CA 3.11Å; T869-L879 HydrophobicContact CG2-CD1 4.3Å; T869-L879 PolarHBondContact O-N 3.4Å; T869-F884 HydrophobicContact CG2-CE2 4.26Å |
| 870 | L | 88.9 | Confident | 88.3 | Confident | 53 Ų | 53 | 18.6 Ų | 18.6 | 28% | 0.277 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -85.7 | -41.5 | 174.4 | -174.2 | 67 | 0 | 0 | 0 | 112.5 | P814 Q866 L867 A868 P878 | P814-L870 HydrophobicContact CB-CB 4.26Å; P814-L870 HydrophobicContact CB-CD1 4.38Å; Q866-L870 VanDerWaalsContact O-CB 3.28Å; Q866-L870 WeakPolarHBondContact O-CB 3.28Å; Q866-L870 PolarHBondContact O-N 2.76Å; Q866-L870 VanDerWaalsContact O-N 3.17Å; L867-L870 PolarHBondContact O-N 2.93Å; A868-L870 VanDerWaalsContact C-N 3.3Å; L870-P878 HydrophobicContact CD1-CG 4.39Å; L870-P878 WeakPolarHBondContact O-CA 3.36Å |
| 871 | S | 85.6 | Confident | 88.4 | Confident | 27 Ų | 27 | 18.7 Ų | 18.7 | 19% | 0.189 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -113.8 | 94.4 | 178.2 | 68.1 | 0 | 0 | 0 | 0 | 111.3 | L867 K951 | L867-S871 PolarHBondContact O-N 2.99Å; L867-S871 PolarHBondContact O-OG 3.47Å; S871-K951 WeakPolarHBondContact OG-CE 3.3Å; S871-K951 PolarHBondContact OG-NZ 2.89Å |
| 872 | G | 84.9 | Confident | 88.6 | Confident | 3 Ų | 3 | 18.7 Ų | 18.7 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | trans | -68.3 | 158.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E679 M874 E876 E877 | E679-G872 WeakPolarHBondContact OE2-CA 3.41Å; G872-M874 PolarHBondContact O-N 3.25Å; G872-E876 WeakPolarHBondContact O-CA 3.4Å; G872-E876 PolarHBondContact O-N 3.13Å; G872-E877 WeakPolarHBondContact CA-O 3.44Å; G872-E877 PolarHBondContact N-O 2.82Å | ||
| 873 | P | 84.9 | Confident | 88.8 | Confident | 20 Ų | 20 | 18.6 Ų | 18.6 | 13% | 0.13 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -20.5 | -173.8 | 26.7 | -32.7 | 0 | 0 | 0 | 115.7 | E679 R955 F958 Q959 | E679-P873 VanDerWaalsContact OE2-CD 3.26Å; E679-P873 WeakPolarHBondContact OE2-CD 3.27Å; E679-P873 VanDerWaalsContact OE2-N 3.12Å; P873-R955 HydrophobicContact CB-CG 3.8Å; P873-F958 HydrophobicContact CG-CB 4.17Å; P873-F958 HydrophobicContact CG-CD1 3.19Å; P873-F958 HydrophobicContact CG-CE1 3.59Å; P873-F958 HydrophobicContact CG-CG 3.79Å; P873-F958 HydrophobicContact CG-CZ 4.47Å; P873-Q959 HydrophobicContact CB-CG 3.71Å; P873-Q959 HydrophobicContact CG-CG 4.12Å |
| 874 | M | 83.6 | Confident | 88.9 | Confident | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -47.2 | -176.6 | -64.6 | -173.4 | -76.2 | 0 | 0 | 112.3 | E679 G872 F958 Q963 R964 P1049 Y1050 M1076 R1080 | E679-M874 HydrophobicContact CB-CE 3.71Å; E679-M874 HydrophobicContact CG-CB 4.4Å; E679-M874 HydrophobicContact CG-CE 3.72Å; E679-M874 WeakPolarHBondContact OE2-CB 3.49Å; E679-M874 PolarHBondContact OE2-N 3.23Å; G872-M874 PolarHBondContact O-N 3.25Å; M874-F958 HydrophobicContact CE-CE1 4.2Å; M874-F958 HydrophobicContact CE-CZ 4.2Å; M874-Q963 HydrophobicContact CE-CB 4.06Å; M874-Q963 HydrophobicContact CG-CB 4.4Å; M874-Q963 HydrophobicContact SD-CB 3.58Å; M874-Q963 VanDerWaalsContact SD-CB 3.58Å; M874-R964 WeakPolarHBondContact CE-O 3.27Å; M874-P1049 HydrophobicContact SD-CG 4Å; M874-Y1050 HydrophobicContact CG-CE2 4.12Å; M874-Y1050 HydrophobicContact SD-CE2 4.07Å; M874-M1076 HydrophobicContact CB-SD 4.3Å; M874-R1080 PolarHBondContact O-NE 3.5Å; M874-R1080 PolarHBondContact O-NH2 3.36Å |
| 875 | C | 83.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -135.8 | 4.3 | -168.4 | -64.9 | 0 | 0 | 0 | 0 | 113.3 | E679 E877 V1079 K1083 | E679-C875 WeakPolarHBondContact OE1-CA 3.47Å; E679-C875 WeakPolarHBondContact OE1-CB 3.42Å; E679-C875 PolarHBondContact OE1-N 3.43Å; C875-E877 HydrophobicContact CB-CB 4.4Å; C875-E877 HydrophobicContact CB-CG 3.96Å; C875-E877 PolarHBondContact O-N 3.04Å; C875-V1079 HydrophobicContact CB-CB 4.27Å; C875-V1079 HydrophobicContact CB-CG1 3.81Å; C875-K1083 WeakPolarHBondContact O-CD 3.48Å; C875-K1083 PolarHBondContact O-NZ 3.45Å |
| 876 | E | 86 | Confident | 88.7 | Confident | 91 Ų | 91 | 17 Ų | 17 | 43% | 0.425 | 9% | 0.093 | S | C | . | . | S | Bend | trans | 52.7 | 31.6 | -165.1 | -59.5 | -176.2 | 137.4 | 0 | 0 | 112.6 | E679 G872 K1083 L1085 | E679-E876 PolarHBondContact OE1-N 3.12Å; G872-E876 WeakPolarHBondContact O-CA 3.4Å; G872-E876 PolarHBondContact O-N 3.13Å; E876-K1083 HydrophobicContact CB-CD 4.15Å; E876-K1083 PolarHBondContact O-NZ 2.91Å; E876-L1085 HydrophobicContact CB-CD1 4.39Å; E876-L1085 HydrophobicContact CG-CD1 3.92Å; E876-L1085 HydrophobicContact CG-CD2 4.45Å |
| 877 | E | 87.4 | Confident | 88.5 | Confident | 13 Ų | 13 | 18.8 Ų | 18.8 | 6% | 0.061 | 10% | 0.102 | C | C | . | . | P | Polyproline II helix | trans | -94.9 | 153.2 | 171.2 | -67.5 | -63.9 | 147.5 | 0 | 0 | 109.8 | E679 G872 C875 V1079 R1082 K1083 | E679-E877 HydrophobicContact CG-CB 4.34Å; E679-E877 PolarHBondContact OE1-N 3.34Å; G872-E877 WeakPolarHBondContact CA-O 3.44Å; G872-E877 PolarHBondContact N-O 2.82Å; C875-E877 HydrophobicContact CB-CB 4.4Å; C875-E877 HydrophobicContact CB-CG 3.96Å; C875-E877 PolarHBondContact O-N 3.04Å; E877-V1079 HydrophobicContact CG-CG1 4.23Å; E877-R1082 IonicContact OE1-NH2 2.67Å; E877-R1082 PolarHBondContact OE1-NH2 3.22Å; E877-K1083 VanDerWaalsContact OE1-CE 3.31Å; E877-K1083 WeakPolarHBondContact OE1-CE 3.49Å; E877-K1083 IonicContact OE1-NZ 2.66Å; E877-K1083 PolarHBondContact OE1-NZ 3.25Å |
| 878 | P | 90.2 | Very high | 88.2 | Confident | 22 Ų | 22 | 21.9 Ų | 21.9 | 14% | 0.143 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 141.5 | -177 | -25.6 | 35.1 | 0 | 0 | 0 | 113.8 | R678 E679 P814 T869 L870 | R678-P878 WeakPolarHBondContact CD-O 3.38Å; E679-P878 PolarHBondContact N-O 3.2Å; P814-P878 HydrophobicContact CG-CB 4.38Å; T869-P878 WeakPolarHBondContact O-CA 3.11Å; L870-P878 HydrophobicContact CD1-CG 4.39Å; L870-P878 WeakPolarHBondContact O-CA 3.36Å |
| 879 | L | 91.6 | Very high | 87.9 | Confident | 5 Ų | 5 | 21.9 Ų | 21.9 | 3% | 0.026 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -70.8 | 151.5 | 178.5 | -56.3 | -170.4 | 0 | 0 | 0 | 111.5 | E679 N820 T869 F884 F958 | E679-L879 HydrophobicContact CB-CD2 3.68Å; E679-L879 CarbonylContact O-C 3.56Å; E679-L879 VanDerWaalsContact O-CA 3.3Å; E679-L879 WeakPolarHBondContact O-CA 3.38Å; N820-L879 PolarHBondContact ND2-O 3.38Å; T869-L879 HydrophobicContact CG2-CD1 4.3Å; T869-L879 PolarHBondContact O-N 3.4Å; L879-F884 HydrophobicContact CD1-CE2 3.77Å; L879-F884 HydrophobicContact CD1-CZ 3.74Å; L879-F958 HydrophobicContact CD1-CD2 3.93Å; L879-F958 HydrophobicContact CD1-CE2 4.23Å; L879-F958 HydrophobicContact CD2-CD2 3.99Å; L879-F958 HydrophobicContact CD2-CE2 3.58Å; L879-F958 HydrophobicContact CD2-CZ 4.14Å; L879-F958 HydrophobicContact CG-CE2 4.44Å |
| 880 | M | 89.9 | Confident | 87.5 | Confident | 8 Ų | 8 | 25.2 Ų | 25.2 | 4% | 0.039 | 13% | 0.125 | C | C | . | . | trans | -141.8 | 134.3 | 174.7 | -169.8 | 168.4 | -166.6 | 0 | 0 | 111.6 | R678 E679 T680 T750 E754 P819 N820 M966 W1042 | R678-M880 HydrophobicContact CB-CB 3.84Å; R678-M880 HydrophobicContact CB-SD 4.4Å; R678-M880 HydrophobicContact CG-CB 4.14Å; R678-M880 HydrophobicContact CG-SD 3.9Å; E679-M880 PolarHBondContact O-N 3.47Å; T680-M880 VanDerWaalsContact CB-O 3.27Å; T680-M880 WeakPolarHBondContact CB-O 3.39Å; T680-M880 PolarHBondContact OG1-O 3.33Å; T750-M880 HydrophobicContact CG2-CE 4.04Å; T750-M880 HydrophobicContact CG2-CG 3.89Å; E754-M880 VanDerWaalsContact OE2-CE 3.23Å; E754-M880 WeakPolarHBondContact OE2-CE 3.39Å; P819-M880 HydrophobicContact CG-CE 4.33Å; P819-M880 HydrophobicContact CG-CG 3.95Å; N820-M880 WeakPolarHBondContact OD1-CA 3.43Å; M880-M966 HydrophobicContact CB-SD 4.02Å; M880-M966 HydrophobicContact CG-SD 4.21Å; M880-M966 HydrophobicContact SD-CE 4.42Å; M880-M966 HydrophobicContact SD-SD 4.21Å; M880-W1042 HydrophobicContact CE-CB 4.45Å; M880-W1042 HydrophobicContact CE-CG 4.22Å; M880-W1042 HydrophobicContact SD-CB 3.97Å; M880-W1042 HydrophobicContact SD-CD2 4.48Å; M880-W1042 HydrophobicContact SD-CG 3.79Å | ||
| 881 | G | 89.6 | Confident | 86.9 | Confident | 5 Ų | 5 | 24.5 Ų | 24.5 | 5% | 0.052 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 71.8 | 25 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | L745 N820 | L745-G881 WeakPolarHBondContact CB-O 3.31Å; L745-G881 PolarHBondContact N-O 3.14Å; N820-G881 PolarHBondContact OD1-N 3.3Å |
| 882 | V | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134.8 | 179.3 | -168.4 | 0 | 0 | 0 | 0 | 111.8 | V681 A742 N820 I821 F884 F958 | V681-V882 HydrophobicContact CB-CG2 4.45Å; V681-V882 HydrophobicContact CG2-CG1 4.31Å; V681-V882 HydrophobicContact CG2-CG2 4.18Å; A742-V882 HydrophobicContact CB-CG1 4.24Å; N820-V882 VanDerWaalsContact CA-O 3.26Å; N820-V882 WeakPolarHBondContact CA-O 3.33Å; N820-V882 WeakPolarHBondContact CB-O 3.2Å; N820-V882 PolarHBondContact OD1-N 3.36Å; N820-V882 PolarHBondContact OD1-O 3.34Å; I821-V882 PolarHBondContact N-O 2.99Å; I821-V882 VanDerWaalsContact N-O 3.15Å; V882-F884 HydrophobicContact CB-CE2 3.94Å; V882-F884 HydrophobicContact CG1-CD2 3.96Å; V882-F884 HydrophobicContact CG1-CE1 4.48Å; V882-F884 HydrophobicContact CG1-CE2 3.42Å; V882-F884 VanDerWaalsContact CG1-CE2 3.42Å; V882-F884 HydrophobicContact CG1-CZ 3.73Å; V882-F958 HydrophobicContact CG1-CD2 4.47Å; V882-F958 HydrophobicContact CG2-CD2 4.2Å; V882-F958 HydrophobicContact CG2-CE2 3.91Å |
| 883 | C | 91.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.3 | 170.5 | 175.2 | 0 | 0 | 0 | 0 | 108.9 | A742 I743 L745 W802 I821 L823 | A742-C883 CarbonylContact C-O 3.57Å; A742-C883 WeakPolarHBondContact CA-O 3.46Å; I743-C883 HydrophobicContact CB-CB 4.27Å; I743-C883 PolarHBondContact N-O 2.77Å; I743-C883 WeakPolarHBondContact O-CB 3.46Å; I743-C883 PolarHBondContact O-N 2.96Å; L745-C883 HydrophobicContact CD1-CB 3.55Å; W802-C883 HydrophobicContact CH2-CB 3.57Å; W802-C883 HydrophobicContact CZ3-CB 3.85Å; I821-C883 CarbonylContact O-C 3.55Å; I821-C883 VanDerWaalsContact O-CA 3.31Å; I821-C883 WeakPolarHBondContact O-CA 3.39Å; L823-C883 VanDerWaalsContact CD1-SG 3.54Å |
| 884 | F | 92.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.4 | 171 | -69.1 | -91.2 | 0 | 0 | 0 | 109 | V740 R741 A742 I821 L822 L823 F865 T869 L879 V882 C954 F958 | V740-F884 HydrophobicContact CG1-CB 4.38Å; V740-F884 HydrophobicContact CG1-CD1 3.84Å; R741-F884 WeakPolarHBondContact O-CA 3.06Å; A742-F884 HydrophobicContact CB-CD1 4.12Å; A742-F884 HydrophobicContact CB-CE1 3.83Å; A742-F884 HydrophobicContact CB-CZ 4.43Å; I821-F884 PolarHBondContact O-N 3.43Å; L822-F884 CarbonylContact C-O 3.51Å; L822-F884 WeakPolarHBondContact CA-O 3.12Å; L822-F884 HydrophobicContact CD1-CB 4.18Å; L823-F884 PolarHBondContact N-O 2.93Å; F865-F884 HydrophobicContact CD2-CB 4.34Å; F865-F884 HydrophobicContact CD2-CD2 4.2Å; F865-F884 HydrophobicContact CD2-CG 4.46Å; F865-F884 HydrophobicContact CE2-CB 4.29Å; F865-F884 AromaticContact CE2-CD2 3.8Å; F865-F884 HydrophobicContact CE2-CD2 3.8Å; F865-F884 HydrophobicContact CE2-CG 4.39Å; T869-F884 HydrophobicContact CG2-CE2 4.26Å; L879-F884 HydrophobicContact CD1-CE2 3.77Å; L879-F884 HydrophobicContact CD1-CZ 3.74Å; V882-F884 HydrophobicContact CB-CE2 3.94Å; V882-F884 HydrophobicContact CG1-CD2 3.96Å; V882-F884 HydrophobicContact CG1-CE1 4.48Å; V882-F884 HydrophobicContact CG1-CE2 3.42Å; V882-F884 VanDerWaalsContact CG1-CE2 3.42Å; V882-F884 HydrophobicContact CG1-CZ 3.73Å; F884-C954 HydrophobicContact CD1-CB 4.02Å; F884-C954 VanDerWaalsContact CD1-SG 3.51Å; F884-C954 HydrophobicContact CE1-CB 3.77Å; F884-C954 WeakPolarHBondContact CE1-O 3.36Å; F884-C954 HydrophobicContact CZ-CB 4.3Å; F884-F958 HydrophobicContact CZ-CB 4.42Å |
| 885 | S | 90 | Very high | 80.3 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 4% | 0.035 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 123.4 | 174.6 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | V740 R741 S825 | V740-S885 WeakPolarHBondContact CA-O 3.35Å; R741-S885 PolarHBondContact N-O 3.3Å; R741-S885 PolarHBondContact O-N 3.04Å; S825-S885 WeakPolarHBondContact CB-OG 3.37Å; S825-S885 PolarHBondContact OG-OG 2.77Å |
| 886 | V | 89 | Confident | 77.8 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 112.2 | 168.2 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | V738 C739 V740 W810 L822 L823 S825 I826 W889 M950 | V738-V886 HydrophobicContact CG1-CG1 4.14Å; C739-V886 WeakPolarHBondContact O-CA 3.2Å; V740-V886 HydrophobicContact CG2-CG2 4.47Å; W810-V886 HydrophobicContact CZ3-CB 4.17Å; W810-V886 HydrophobicContact CZ3-CG2 3.99Å; L822-V886 HydrophobicContact CD1-CG2 4.02Å; L823-V886 PolarHBondContact O-N 2.75Å; S825-V886 CarbonylContact C-O 3.48Å; S825-V886 WeakPolarHBondContact CA-O 3.31Å; S825-V886 WeakPolarHBondContact CB-O 3.47Å; S825-V886 PolarHBondContact N-O 3.04Å; I826-V886 HydrophobicContact CD1-CG1 4.07Å; I826-V886 HydrophobicContact CG1-CG1 4.24Å; V886-W889 HydrophobicContact CG1-CB 4.4Å; V886-M950 HydrophobicContact CG2-CE 3.83Å |
| 887 | E | 86.4 | Confident | 75.2 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 28% | 0.28 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -21.7 | -175.1 | -57.5 | -160.2 | 141.2 | 0 | 0 | 113 | L726 C739 R741 | L726-E887 HydrophobicContact CD1-CB 4.41Å; L726-E887 HydrophobicContact CD1-CG 4.26Å; L726-E887 WeakPolarHBondContact CD1-OE2 3.47Å; C739-E887 PolarHBondContact O-N 2.8Å; R741-E887 IonicContact CZ-OE1 3.72Å; R741-E887 VanDerWaalsContact CZ-OE1 3.26Å; R741-E887 IonicContact CZ-OE2 2.72Å; R741-E887 IonicContact NH1-OE1 2.81Å; R741-E887 PolarHBondContact NH1-OE1 3.24Å; R741-E887 IonicContact NH1-OE2 2.68Å; R741-E887 PolarHBondContact NH1-OE2 3.25Å; R741-E887 IonicContact NH2-OE1 3.11Å; R741-E887 IonicContact NH2-OE2 3.14Å; R741-E887 PolarHBondContact NH2-OE2 3.47Å |
| 888 | R | 84.4 | Confident | 72.7 | Confident | 140 Ų | 140 | 60.4 Ų | 60.4 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 142.3 | 179.5 | -176.2 | 179.2 | -176.3 | 148.7 | 5.6 | 109.9 | C739 D890 | C739-R888 HydrophobicContact CB-CB 3.86Å; C739-R888 PolarHBondContact N-O 3.42Å; R888-D890 IonicContact CZ-OD2 3.74Å; R888-D890 IonicContact NE-OD1 2.67Å; R888-D890 IonicContact NE-OD2 2.97Å; R888-D890 PolarHBondContact NE-OD2 3.35Å; R888-D890 IonicContact NH2-OD2 3.8Å; R888-D890 PolarHBondContact NH2-OD2 3.06Å |
| 889 | W | 84.4 | Confident | 69.7 | Low | 5 Ų | 5 | 66.7 Ų | 66.7 | 2% | 0.019 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 111.7 | 174.7 | 175.7 | 28.6 | 0 | 0 | 0 | 108.9 | T737 W810 I826 Y829 L854 F857 I861 V886 V891 L946 | T737-W889 WeakPolarHBondContact O-CA 3.32Å; W810-W889 HydrophobicContact CH2-CE3 4.2Å; W810-W889 HydrophobicContact CH2-CZ3 4.11Å; W810-W889 HydrophobicContact CZ2-CZ3 4.32Å; I826-W889 HydrophobicContact CD1-CB 3.71Å; I826-W889 HydrophobicContact CD1-CE3 4.07Å; I826-W889 HydrophobicContact CG1-CB 4.47Å; Y829-W889 HydrophobicContact CD1-CE3 4.48Å; Y829-W889 HydrophobicContact CD1-CZ3 4.37Å; Y829-W889 HydrophobicContact CE1-CZ3 4.07Å; L854-W889 HydrophobicContact CB-CE3 4.27Å; L854-W889 HydrophobicContact CB-CH2 3.98Å; L854-W889 HydrophobicContact CB-CZ3 3.8Å; L854-W889 HydrophobicContact CD1-CE3 4.32Å; L854-W889 HydrophobicContact CD2-CD2 4.02Å; L854-W889 HydrophobicContact CD2-CE3 4.2Å; L854-W889 HydrophobicContact CD2-CH2 4.35Å; L854-W889 HydrophobicContact CD2-CZ2 4.12Å; L854-W889 HydrophobicContact CD2-CZ3 4.37Å; L854-W889 HydrophobicContact CG-CE3 4.5Å; L854-W889 HydrophobicContact CG-CZ3 4.49Å; L854-W889 WeakPolarHBondContact O-CH2 3.1Å; F857-W889 HydrophobicContact CB-CH2 3.74Å; F857-W889 HydrophobicContact CB-CZ2 3.53Å; I861-W889 HydrophobicContact CD1-CD2 3.38Å; I861-W889 HydrophobicContact CD1-CE3 3.61Å; I861-W889 HydrophobicContact CD1-CG 3.91Å; I861-W889 HydrophobicContact CD1-CH2 3.8Å; I861-W889 HydrophobicContact CD1-CZ2 3.63Å; I861-W889 HydrophobicContact CD1-CZ3 3.8Å; I861-W889 HydrophobicContact CG1-CZ2 4.31Å; V886-W889 HydrophobicContact CG1-CB 4.4Å; W889-V891 HydrophobicContact CZ2-CG2 4.14Å; W889-L946 HydrophobicContact CZ2-CD2 3.84Å |
| 890 | D | 82.8 | Confident | 66.7 | Low | 70 Ų | 70 | 71.5 Ų | 71.5 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 136.3 | -179.8 | -58.6 | -24.4 | 0 | 0 | 0 | 108.4 | A736 T737 R888 | A736-D890 CarbonylContact C-O 3.58Å; A736-D890 VanDerWaalsContact CA-O 3.3Å; A736-D890 WeakPolarHBondContact CA-O 3.33Å; T737-D890 PolarHBondContact N-O 2.73Å; T737-D890 PolarHBondContact O-N 3.18Å; R888-D890 IonicContact CZ-OD2 3.74Å; R888-D890 IonicContact NE-OD1 2.67Å; R888-D890 IonicContact NE-OD2 2.97Å; R888-D890 PolarHBondContact NE-OD2 3.35Å; R888-D890 IonicContact NH2-OD2 3.8Å; R888-D890 PolarHBondContact NH2-OD2 3.06Å |
| 891 | V | 76.6 | Confident | 63.9 | Low | 39 Ų | 39 | 78 Ų | 78 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 124.3 | 176.7 | -179 | 0 | 0 | 0 | 0 | 109.7 | L735 A736 L854 F857 W889 S893 | L735-V891 CarbonylContact O-C 3.48Å; L735-V891 WeakPolarHBondContact O-CA 3.28Å; A736-V891 HydrophobicContact CB-CG2 4.06Å; L854-V891 HydrophobicContact CD2-CB 3.85Å; L854-V891 HydrophobicContact CD2-CG2 3.53Å; F857-V891 HydrophobicContact CE2-CG1 4.42Å; W889-V891 HydrophobicContact CZ2-CG2 4.14Å; V891-S893 PolarHBondContact O-N 3.12Å |
| 892 | E | 70.4 | Confident | 61 | Low | 135 Ų | 135 | 84.3 Ų | 84.3 | 63% | 0.631 | 46% | 0.457 | S | S | * | . | trans | -88.3 | 102.9 | 177.8 | -65.2 | -167.5 | 169.2 | 0 | 0 | 110.8 | L735 V894 | L735-E892 PolarHBondContact O-N 3.13Å; E892-V894 PolarHBondContact O-N 2.93Å; E892-V894 VanDerWaalsContact O-N 3.12Å | ||
| 893 | S | 52.1 | Low | 58.2 | Low | 92 Ų | 92 | 91.9 Ų | 91.9 | 64% | 0.643 | 50% | 0.497 | S | S | * | . | trans | -76.1 | 95.1 | 172.9 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | V891 P895 | V891-S893 PolarHBondContact O-N 3.12Å; S893-P895 WeakPolarHBondContact O-CD 3.27Å | ||
| 894 | V | 43 | Very low | 55.2 | Low | 95 Ų | 95 | 101.2 Ų | 101.2 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | trans | -67.5 | 119.3 | 175.6 | -175.2 | 0 | 0 | 0 | 0 | 109.8 | L735 E892 F896 | L735-V894 HydrophobicContact CD2-CG2 3.76Å; E892-V894 PolarHBondContact O-N 2.93Å; E892-V894 VanDerWaalsContact O-N 3.12Å; V894-F896 PolarHBondContact O-N 2.87Å | ||
| 895 | P | 34.8 | Very low | 52.2 | Low | 109 Ų | 109 | 110 Ų | 110 | 71% | 0.708 | 58% | 0.578 | S | S | * | * | trans | -68.6 | 126.2 | 168.7 | 29.1 | -32.4 | 0 | 0 | 0 | 108.7 | S893 S897 | S893-P895 WeakPolarHBondContact O-CD 3.27Å; P895-S897 PolarHBondContact O-N 3.39Å | ||
| 896 | F | 31.4 | Very low | 49.1 | Very low | 202 Ų | 202 | 117.5 Ų | 117.5 | 89% | 0.886 | 62% | 0.618 | S | S | * | * | trans | -69.9 | 86.3 | -170.8 | -149.7 | -78 | 0 | 0 | 0 | 111.6 | V894 | V894-F896 PolarHBondContact O-N 2.87Š| ||
| 897 | S | 30.5 | Very low | 46.2 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 64% | 0.636 | 66% | 0.655 | S | S | * | * | trans | -76.7 | 122.4 | 174.4 | 50.5 | 0 | 0 | 0 | 0 | 110 | P895 N899 | P895-S897 PolarHBondContact O-N 3.39Å; S897-N899 PolarHBondContact O-N 3.08Å | ||
| 898 | Q | 34.6 | Very low | 43.4 | Very low | 186 Ų | 186 | 126.3 Ų | 126.3 | 87% | 0.869 | 68% | 0.68 | S | S | * | * | trans | -66.4 | 104.8 | 174.1 | -69.7 | 178.1 | -22.6 | 0 | 0 | 109.7 | ||||
| 899 | N | 27.2 | Very low | 40.7 | Very low | 153 Ų | 153 | 124.8 Ų | 124.8 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | trans | -138.7 | 122.9 | 159.1 | -90.7 | -46.8 | 0 | 0 | 0 | 108.4 | S897 | S897-N899 PolarHBondContact O-N 3.08Š| ||
| 900 | S | 29.7 | Very low | 38.3 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | trans | -68.8 | 155.4 | -178.3 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 901 | D | 31.1 | Very low | 35.4 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | -48.2 | 135.1 | -179.9 | -53.7 | -83.4 | 0 | 0 | 0 | 114.5 | ||||
| 902 | T | 28.6 | Very low | 33 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -142.1 | 54.9 | 156 | 30.1 | 0 | 0 | 0 | 0 | 110.2 | K904 | T902-K904 PolarHBondContact O-N 2.99Š| ||
| 903 | L | 32.2 | Very low | 31 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -61.7 | 120.1 | 161.3 | -77 | 171.3 | 0 | 0 | 0 | 108.7 | ||||
| 904 | K | 27 | Very low | 29.7 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -93.6 | 112.1 | 164.7 | -72.5 | -174.9 | 176.5 | -175.9 | 0 | 108.3 | T902 | T902-K904 PolarHBondContact O-N 2.99Š| ||
| 905 | E | 29.2 | Very low | 28.9 | Very low | 184 Ų | 184 | 149 Ų | 149 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -106.3 | 127.2 | 159.5 | -67.3 | -164.7 | 137.6 | 0 | 0 | 109.1 | ||||
| 906 | D | 25.8 | Very low | 28.5 | Very low | 162 Ų | 162 | 149.8 Ų | 149.8 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -86 | 104.8 | 172.9 | -76 | -51.1 | 0 | 0 | 0 | 109.8 | ||||
| 907 | S | 28.1 | Very low | 28.2 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -173.7 | 113 | 137 | 30.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 908 | V | 28 | Very low | 27.9 | Very low | 134 Ų | 134 | 145 Ų | 145 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | 48.8 | 109.3 | 132.2 | -169.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 909 | S | 26.2 | Very low | 27.5 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | 77.8 | 136.2 | 148.5 | 71.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 910 | P | 33.9 | Very low | 27.3 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -106.5 | 157.8 | 177.7 | 39.9 | -33.1 | 0 | 0 | 0 | 113.6 | ||||
| 911 | E | 23.4 | Very low | 27.1 | Very low | 195 Ų | 195 | 143.9 Ų | 143.9 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | -175 | 173 | 127.1 | -108.5 | 175.4 | -163.8 | 0 | 0 | 113.1 | |||||
| 912 | A | 26.3 | Very low | 26.7 | Very low | 87 Ų | 87 | 141.3 Ų | 141.3 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | trans | 77.5 | 97.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 913 | L | 27.5 | Very low | 26.7 | Very low | 176 Ų | 176 | 141 Ų | 141 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | 84.7 | 158 | 132.5 | -64.2 | 169.3 | 0 | 0 | 0 | 121.5 | ||||
| 914 | R | 25.8 | Very low | 26.3 | Very low | 223 Ų | 223 | 140.4 Ų | 140.4 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | trans | -124.1 | 159.2 | -175.3 | -60.1 | 169.5 | 172.7 | 164.2 | -4.3 | 109 | ||||
| 915 | D | 24.8 | Very low | 26.3 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | -176.1 | 137.5 | 127.8 | -87.2 | -20.8 | 0 | 0 | 0 | 107.7 | |||||
| 916 | V | 27.4 | Very low | 26.1 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | 63.6 | 123.5 | 64.9 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 917 | S | 24.8 | Very low | 26 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | cis | -154.8 | 135.6 | 18.4 | 27.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 918 | S | 25.1 | Very low | 25.8 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | 51.8 | 120.8 | 88.8 | 81.7 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 919 | H | 25.5 | Very low | 25.6 | Very low | 197 Ų | 197 | 141 Ų | 141 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | trans | 165.3 | 145.1 | 144 | -77.6 | -39.8 | 0 | 0 | 0 | 109.1 | ||||
| 920 | G | 23.9 | Very low | 25.5 | Very low | 63 Ų | 63 | 144.9 Ų | 144.9 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | cis | 165 | 135 | -13.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 921 | N | 24.9 | Very low | 25.1 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | 66.3 | 159.2 | 161.4 | -63.6 | 3.6 | 0 | 0 | 0 | 119.6 | ||||
| 922 | S | 23.2 | Very low | 25.1 | Very low | 91 Ų | 91 | 146 Ų | 146 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | cis | 167.8 | 159.6 | -44.6 | 55.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 923 | V | 27.3 | Very low | 25.2 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 74.5 | 131 | 168.7 | 179.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 924 | D | 24.5 | Very low | 25.4 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | cis | -130.7 | -144.4 | -2.9 | -141 | -21.3 | 0 | 0 | 0 | 110.3 | ||||
| 925 | A | 25.9 | Very low | 25.7 | Very low | 91 Ų | 91 | 138 Ų | 138 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | cis | -148.2 | 175.4 | 8.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 926 | T | 25.3 | Very low | 26.5 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -98.8 | 131.5 | -172.5 | 56.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 927 | T | 24.3 | Very low | 27 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -148.8 | 164.3 | 148.5 | -0.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 928 | E | 24.4 | Very low | 28 | Very low | 190 Ų | 190 | 134.6 Ų | 134.6 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -68.7 | 137.1 | -160.4 | -57 | 174.7 | 141.6 | 0 | 0 | 115.1 | K930 | E928-K930 PolarHBondContact O-N 3.36Š| ||
| 929 | R | 23.4 | Very low | 29.3 | Very low | 248 Ų | 248 | 137.9 Ų | 137.9 | 94% | 0.936 | 77% | 0.768 | S | S | * | * | trans | -78.4 | 104.3 | 173.1 | -74.6 | -179 | 173.7 | 170.6 | -2.5 | 111.7 | ||||
| 930 | K | 23.2 | Very low | 31.2 | Very low | 189 Ų | 189 | 129.9 Ų | 129.9 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | -82.4 | 146.6 | 143.1 | -81.3 | -179.5 | 176.3 | 174.2 | 0 | 109.3 | E928 D932 | E928-K930 PolarHBondContact O-N 3.36Å; K930-D932 PolarHBondContact O-N 2.93Å | ||
| 931 | M | 26.6 | Very low | 33.4 | Very low | 188 Ų | 188 | 132 Ų | 132 | 93% | 0.926 | 74% | 0.742 | S | S | * | * | trans | -89 | 82.5 | 179.4 | -68.2 | 173.6 | 64.3 | 0 | 0 | 110.2 | ||||
| 932 | D | 23.3 | Very low | 35.9 | Very low | 149 Ų | 149 | 126 Ų | 126 | 80% | 0.797 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 144.2 | 160.1 | -77.2 | -57.2 | 0 | 0 | 0 | 109.8 | K930 S934 | K930-D932 PolarHBondContact O-N 2.93Å; D932-S934 PolarHBondContact O-N 3.04Å |
| 933 | A | 28.9 | Very low | 38.7 | Very low | 101 Ų | 101 | 122.2 Ų | 122.2 | 84% | 0.835 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 131.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111 | S935 | A933-S935 PolarHBondContact O-N 3.38Š|
| 934 | S | 30 | Very low | 41.4 | Very low | 106 Ų | 106 | 118 Ų | 118 | 74% | 0.741 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 121.2 | 178.8 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | D932 V936 | D932-S934 PolarHBondContact O-N 3.04Å; S934-V936 PolarHBondContact O-N 2.95Å; S934-V936 VanDerWaalsContact O-N 3.12Å |
| 935 | S | 33.8 | Very low | 44.3 | Very low | 111 Ų | 111 | 114.3 Ų | 114.3 | 78% | 0.776 | 65% | 0.646 | S | S | * | * | trans | -59 | 112.8 | 167.2 | 50.2 | 0 | 0 | 0 | 0 | 109.6 | A933 | A933-S935 PolarHBondContact O-N 3.38Š| ||
| 936 | V | 40.5 | Very low | 47.2 | Very low | 114 Ų | 114 | 110 Ų | 110 | 69% | 0.691 | 61% | 0.61 | S | S | * | * | trans | -74.8 | 130.3 | 168 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | S934 C938 | S934-V936 PolarHBondContact O-N 2.95Å; S934-V936 VanDerWaalsContact O-N 3.12Å; V936-C938 VanDerWaalsContact C-N 3.29Å; V936-C938 PolarHBondContact O-N 3Å; V936-C938 PolarHBondContact O-SG 3.09Å | ||
| 937 | D | 37.5 | Very low | 50.2 | Low | 146 Ų | 146 | 106 Ų | 106 | 78% | 0.781 | 58% | 0.583 | S | S | * | * | trans | -71.2 | 86.2 | 172.5 | -79.5 | -49 | 0 | 0 | 0 | 110.2 | Y939 | D937-Y939 PolarHBondContact O-N 3.48Š| ||
| 938 | C | 46 | Very low | 53.3 | Low | 34 Ų | 34 | 101.5 Ų | 101.5 | 23% | 0.23 | 56% | 0.56 | C | S | . | * | trans | -63.4 | -7.6 | 179.4 | -62.5 | 0 | 0 | 0 | 0 | 113.6 | D856 V936 G940 | D856-C938 HydrophobicContact CB-CB 3.79Å; D856-C938 PolarHBondContact OD2-SG 3.22Å; V936-C938 VanDerWaalsContact C-N 3.29Å; V936-C938 PolarHBondContact O-N 3Å; V936-C938 PolarHBondContact O-SG 3.09Å; C938-G940 PolarHBondContact O-N 3.03Å | ||
| 939 | Y | 53.9 | Low | 56.4 | Low | 165 Ų | 165 | 92.6 Ų | 92.6 | 65% | 0.647 | 52% | 0.52 | S | S | * | . | trans | -78.8 | 42.2 | 176.4 | -76.6 | -90.3 | 0 | 0 | 0 | 113.7 | N859 D937 | N859-Y939 PolarHBondContact ND2-OH 3.45Å; D937-Y939 PolarHBondContact O-N 3.48Å | ||
| 940 | G | 65.3 | Low | 59.6 | Low | 30 Ų | 30 | 80.8 Ų | 80.8 | 31% | 0.309 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -82.3 | -179.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | C938 V942 S943 | C938-G940 PolarHBondContact O-N 3.03Å; G940-V942 PolarHBondContact O-N 3.46Å; G940-S943 WeakPolarHBondContact O-CB 3.43Å; G940-S943 PolarHBondContact O-N 2.77Å |
| 941 | P | 69.8 | Low | 62.8 | Low | 108 Ų | 108 | 75.2 Ų | 75.2 | 70% | 0.701 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -54.5 | -26.6 | -179.8 | -27.8 | 35.7 | 0 | 0 | 0 | 114.9 | S943 G944 Q945 | P941-S943 VanDerWaalsContact C-N 3.28Å; P941-S943 PolarHBondContact O-N 2.78Å; P941-G944 PolarHBondContact O-N 3.09Å; P941-Q945 WeakPolarHBondContact O-CG 3.48Å; P941-Q945 PolarHBondContact O-N 3.08Å |
| 942 | V | 77.3 | Confident | 65.8 | Low | 35 Ų | 35 | 70.5 Ų | 70.5 | 21% | 0.212 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -58.1 | -38.4 | 175 | -172.7 | 0 | 0 | 0 | 0 | 111.8 | L735 F857 G940 Q945 L946 | L735-V942 HydrophobicContact CD1-CG2 4.04Å; F857-V942 HydrophobicContact CE1-CB 4.44Å; F857-V942 HydrophobicContact CE1-CG1 4.33Å; G940-V942 PolarHBondContact O-N 3.46Å; V942-Q945 PolarHBondContact O-N 2.82Å; V942-L946 VanDerWaalsContact O-CB 3.3Å; V942-L946 WeakPolarHBondContact O-CB 3.37Å; V942-L946 PolarHBondContact O-N 2.83Å |
| 943 | S | 81.6 | Confident | 69 | Low | 12 Ų | 12 | 63.4 Ų | 63.4 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 177.6 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | S860 G940 P941 L946 I947 | S860-S943 PolarHBondContact OG-OG 3.47Å; G940-S943 WeakPolarHBondContact O-CB 3.43Å; G940-S943 PolarHBondContact O-N 2.77Å; P941-S943 VanDerWaalsContact C-N 3.28Å; P941-S943 PolarHBondContact O-N 2.78Å; S943-L946 PolarHBondContact O-N 2.93Å; S943-I947 WeakPolarHBondContact O-CG1 3.35Å; S943-I947 PolarHBondContact O-N 3.42Å |
| 944 | G | 84.3 | Confident | 71.9 | Confident | 43 Ų | 43 | 58.6 Ų | 58.6 | 44% | 0.443 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P941 L946 I947 A948 | P941-G944 PolarHBondContact O-N 3.09Å; G944-L946 VanDerWaalsContact C-N 3.33Å; G944-L946 PolarHBondContact O-N 3.05Å; G944-I947 PolarHBondContact O-N 2.92Å; G944-A948 PolarHBondContact O-N 3.34Å; G944-A948 VanDerWaalsContact O-N 3.14Å |
| 945 | Q | 85.6 | Confident | 74.8 | Confident | 68 Ų | 68 | 58 Ų | 58 | 32% | 0.318 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 175.8 | -69.2 | -175.7 | 17 | 0 | 0 | 112.3 | T731 N733 P941 V942 A948 A949 | T731-Q945 HydrophobicContact CG2-CB 4.45Å; N733-Q945 PolarHBondContact ND2-OE1 2.89Å; P941-Q945 WeakPolarHBondContact O-CG 3.48Å; P941-Q945 PolarHBondContact O-N 3.08Å; V942-Q945 PolarHBondContact O-N 2.82Å; Q945-A948 PolarHBondContact O-N 3.12Å; Q945-A949 VanDerWaalsContact O-CB 3.27Å; Q945-A949 WeakPolarHBondContact O-CB 3.5Å; Q945-A949 PolarHBondContact O-N 2.96Å |
| 946 | L | 86.6 | Confident | 77.3 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.8 | -35.7 | 175.5 | -176.8 | 59.5 | 0 | 0 | 0 | 112.6 | A736 V738 F857 I861 W889 V942 S943 G944 M950 | A736-L946 HydrophobicContact CB-CD1 4.23Å; V738-L946 HydrophobicContact CG2-CD1 3.64Å; F857-L946 HydrophobicContact CB-CD2 3.85Å; F857-L946 HydrophobicContact CD1-CD2 4.37Å; F857-L946 HydrophobicContact CG-CD2 4.31Å; I861-L946 HydrophobicContact CG1-CD1 4.38Å; I861-L946 HydrophobicContact CG1-CD2 4.24Å; I861-L946 HydrophobicContact CG1-CG 4.26Å; W889-L946 HydrophobicContact CZ2-CD2 3.84Å; V942-L946 VanDerWaalsContact O-CB 3.3Å; V942-L946 WeakPolarHBondContact O-CB 3.37Å; V942-L946 PolarHBondContact O-N 2.83Å; S943-L946 PolarHBondContact O-N 2.93Å; G944-L946 VanDerWaalsContact C-N 3.33Å; G944-L946 PolarHBondContact O-N 3.05Å; L946-M950 VanDerWaalsContact O-CB 3.28Å; L946-M950 WeakPolarHBondContact O-CB 3.47Å; L946-M950 PolarHBondContact O-N 2.95Å |
| 947 | I | 88.8 | Confident | 79.6 | Confident | 45 Ų | 45 | 49.5 Ų | 49.5 | 23% | 0.231 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 171 | -70.2 | 162.7 | 0 | 0 | 0 | 110.4 | S860 G864 L867 S943 G944 K951 | S860-I947 VanDerWaalsContact O-CG1 3.32Å; S860-I947 WeakPolarHBondContact O-CG1 2.94Å; G864-I947 WeakPolarHBondContact CA-O 3.32Å; L867-I947 HydrophobicContact CD1-CG2 3.76Å; S943-I947 WeakPolarHBondContact O-CG1 3.35Å; S943-I947 PolarHBondContact O-N 3.42Å; G944-I947 PolarHBondContact O-N 2.92Å; I947-K951 PolarHBondContact O-N 2.95Å |
| 948 | A | 88.6 | Confident | 82 | Confident | 48 Ų | 48 | 42.6 Ų | 42.6 | 40% | 0.397 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.9 | -49.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | G944 Q945 M950 K951 E952 | G944-A948 PolarHBondContact O-N 3.34Å; G944-A948 VanDerWaalsContact O-N 3.14Å; Q945-A948 PolarHBondContact O-N 3.12Å; A948-M950 VanDerWaalsContact C-N 3.32Å; A948-M950 PolarHBondContact O-N 2.89Å; A948-K951 WeakPolarHBondContact O-CB 3.38Å; A948-K951 PolarHBondContact O-N 2.83Å; A948-K951 VanDerWaalsContact O-N 3.08Å; A948-E952 PolarHBondContact O-N 3.16Å |
| 949 | A | 89.1 | Confident | 83.9 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.6 | -41.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L729 T731 Q945 E952 A953 | L729-A949 HydrophobicContact CD2-CB 3.64Å; T731-A949 HydrophobicContact CG2-CB 3.71Å; Q945-A949 VanDerWaalsContact O-CB 3.27Å; Q945-A949 WeakPolarHBondContact O-CB 3.5Å; Q945-A949 PolarHBondContact O-N 2.96Å; A949-E952 PolarHBondContact O-N 3.35Å; A949-A953 VanDerWaalsContact O-CB 3.27Å; A949-A953 WeakPolarHBondContact O-CB 3.34Å; A949-A953 PolarHBondContact O-N 3.35Å |
| 950 | M | 90.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68 | -39.2 | 174.8 | -177.1 | 62.3 | -175.7 | 0 | 0 | 112 | V738 V740 L822 I861 F865 V886 L946 A948 E952 A953 C954 | V738-M950 HydrophobicContact CG1-SD 4.07Å; V740-M950 HydrophobicContact CG2-CE 4.18Å; V740-M950 HydrophobicContact CG2-SD 3.81Å; L822-M950 HydrophobicContact CD1-CE 3.83Å; I861-M950 HydrophobicContact CG2-CE 3.88Å; I861-M950 HydrophobicContact CG2-CG 4.12Å; I861-M950 HydrophobicContact CG2-SD 4.03Å; F865-M950 HydrophobicContact CB-CE 4.17Å; V886-M950 HydrophobicContact CG2-CE 3.83Å; L946-M950 VanDerWaalsContact O-CB 3.28Å; L946-M950 WeakPolarHBondContact O-CB 3.47Å; L946-M950 PolarHBondContact O-N 2.95Å; A948-M950 VanDerWaalsContact C-N 3.32Å; A948-M950 PolarHBondContact O-N 2.89Å; M950-E952 VanDerWaalsContact C-N 3.33Å; M950-E952 PolarHBondContact O-N 3.02Å; M950-A953 PolarHBondContact O-N 2.7Å; M950-C954 PolarHBondContact O-N 2.85Å |
| 951 | K | 91.3 | Very high | 86.1 | Confident | 72 Ų | 72 | 36.4 Ų | 36.4 | 31% | 0.313 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59 | -47 | 174.9 | -170.6 | -171.7 | -178.7 | -176.5 | 0 | 110.7 | L867 A868 S871 I947 A948 R955 | L867-K951 HydrophobicContact CB-CD 3.99Å; L867-K951 HydrophobicContact CB-CG 4.19Å; A868-K951 HydrophobicContact CB-CG 4.12Å; S871-K951 WeakPolarHBondContact OG-CE 3.3Å; S871-K951 PolarHBondContact OG-NZ 2.89Å; I947-K951 PolarHBondContact O-N 2.95Å; A948-K951 WeakPolarHBondContact O-CB 3.38Å; A948-K951 PolarHBondContact O-N 2.83Å; A948-K951 VanDerWaalsContact O-N 3.08Å; K951-R955 WeakPolarHBondContact O-CB 3.3Å; K951-R955 PolarHBondContact O-N 3.36Å |
| 952 | E | 89.6 | Confident | 86.7 | Confident | 88 Ų | 88 | 32.9 Ų | 32.9 | 41% | 0.411 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -68.8 | -43.1 | 179.8 | -71.7 | -178.2 | 173.3 | 0 | 0 | 112.6 | L729 A948 A949 M950 C954 R955 Y956 | L729-E952 HydrophobicContact CD1-CB 3.74Å; A948-E952 PolarHBondContact O-N 3.16Å; A949-E952 PolarHBondContact O-N 3.35Å; M950-E952 VanDerWaalsContact C-N 3.33Å; M950-E952 PolarHBondContact O-N 3.02Å; E952-C954 VanDerWaalsContact C-N 3.34Å; E952-C954 PolarHBondContact O-N 3.04Å; E952-R955 WeakPolarHBondContact O-CB 3.49Å; E952-R955 PolarHBondContact O-N 3.29Å; E952-Y956 HydrophobicContact CB-CD2 4.3Å; E952-Y956 HydrophobicContact CB-CE2 4.02Å; E952-Y956 WeakPolarHBondContact O-CD2 3.38Å; E952-Y956 PolarHBondContact O-N 3.16Å |
| 953 | A | 89.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.1 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L729 V740 A949 M950 A957 | L729-A953 HydrophobicContact CB-CB 4.2Å; L729-A953 HydrophobicContact CD1-CB 4.49Å; V740-A953 HydrophobicContact CB-CB 4.18Å; V740-A953 HydrophobicContact CG2-CB 3.75Å; A949-A953 VanDerWaalsContact O-CB 3.27Å; A949-A953 WeakPolarHBondContact O-CB 3.34Å; A949-A953 PolarHBondContact O-N 3.35Å; M950-A953 PolarHBondContact O-N 2.7Å; A953-A957 WeakPolarHBondContact O-CB 3.23Å; A953-A957 PolarHBondContact O-N 2.9Å |
| 954 | C | 90.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 170.6 | -81.4 | 0 | 0 | 0 | 0 | 112.4 | A868 F884 M950 E952 Y956 A957 F958 | A868-C954 HydrophobicContact CB-CB 3.42Å; A868-C954 VanDerWaalsContact CB-CB 3.42Å; F884-C954 HydrophobicContact CD1-CB 4.02Å; F884-C954 VanDerWaalsContact CD1-SG 3.51Å; F884-C954 HydrophobicContact CE1-CB 3.77Å; F884-C954 WeakPolarHBondContact CE1-O 3.36Å; F884-C954 HydrophobicContact CZ-CB 4.3Å; M950-C954 PolarHBondContact O-N 2.85Å; E952-C954 VanDerWaalsContact C-N 3.34Å; E952-C954 PolarHBondContact O-N 3.04Å; C954-Y956 PolarHBondContact O-N 2.86Å; C954-A957 PolarHBondContact O-N 3.27Å; C954-F958 PolarHBondContact O-N 2.9Å |
| 955 | R | 89.1 | Confident | 87.6 | Confident | 94 Ų | 94 | 31.8 Ų | 31.8 | 36% | 0.355 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -58.2 | -49.8 | 179.8 | -166.2 | -178.8 | 70 | 119 | -4.8 | 111.6 | P873 K951 E952 F958 Q959 | P873-R955 HydrophobicContact CB-CG 3.8Å; K951-R955 WeakPolarHBondContact O-CB 3.3Å; K951-R955 PolarHBondContact O-N 3.36Å; E952-R955 WeakPolarHBondContact O-CB 3.49Å; E952-R955 PolarHBondContact O-N 3.29Å; R955-F958 PolarHBondContact O-N 2.86Å; R955-Q959 WeakPolarHBondContact O-CG 3.17Å; R955-Q959 PolarHBondContact O-N 3.02Å |
| 956 | Y | 88.2 | Confident | 87.8 | Confident | 46 Ų | 46 | 29.2 Ų | 29.2 | 18% | 0.18 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.7 | -37.2 | 177.6 | -66.9 | -57.8 | 0 | 0 | 0 | 112.6 | Q719 L729 E952 C954 F958 Q959 A960 | Q719-Y956 VanDerWaalsContact NE2-CD1 3.34Å; Q719-Y956 VanDerWaalsContact NE2-CG 3.34Å; L729-Y956 HydrophobicContact CD1-CD2 4.05Å; L729-Y956 HydrophobicContact CD1-CE2 4.1Å; E952-Y956 HydrophobicContact CB-CD2 4.3Å; E952-Y956 HydrophobicContact CB-CE2 4.02Å; E952-Y956 WeakPolarHBondContact O-CD2 3.38Å; E952-Y956 PolarHBondContact O-N 3.16Å; C954-Y956 PolarHBondContact O-N 2.86Å; Y956-F958 VanDerWaalsContact C-N 3.31Å; Y956-F958 PolarHBondContact O-N 2.85Å; Y956-Q959 PolarHBondContact O-N 2.8Å; Y956-A960 PolarHBondContact O-N 2.8Å |
| 957 | A | 87.4 | Confident | 88 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.6 | -32.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V727 V740 A742 A953 C954 | V727-A957 HydrophobicContact CB-CB 4.42Å; V727-A957 HydrophobicContact CG2-CB 3.96Å; V740-A957 HydrophobicContact CB-CB 4.47Å; V740-A957 HydrophobicContact CG1-CB 4.06Å; A742-A957 HydrophobicContact CB-CB 4.21Å; A742-A957 WeakPolarHBondContact CB-O 3.41Å; A953-A957 WeakPolarHBondContact O-CB 3.23Å; A953-A957 PolarHBondContact O-N 2.9Å; C954-A957 PolarHBondContact O-N 3.27Å |
| 958 | F | 88.4 | Confident | 88 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.3 | -46.4 | 169 | -175.2 | -71.7 | 0 | 0 | 0 | 111 | E679 T680 V681 P873 M874 L879 V882 F884 C954 R955 Y956 A960 Q961 Q963 | E679-F958 HydrophobicContact CB-CZ 3.99Å; T680-F958 WeakPolarHBondContact O-CZ 3.35Å; V681-F958 HydrophobicContact CG2-CD1 4.4Å; V681-F958 HydrophobicContact CG2-CD2 3.56Å; V681-F958 HydrophobicContact CG2-CE1 4.48Å; V681-F958 HydrophobicContact CG2-CE2 3.64Å; V681-F958 HydrophobicContact CG2-CG 3.97Å; V681-F958 HydrophobicContact CG2-CZ 4.12Å; P873-F958 HydrophobicContact CG-CB 4.17Å; P873-F958 HydrophobicContact CG-CD1 3.19Å; P873-F958 HydrophobicContact CG-CE1 3.59Å; P873-F958 HydrophobicContact CG-CG 3.79Å; P873-F958 HydrophobicContact CG-CZ 4.47Å; M874-F958 HydrophobicContact CE-CE1 4.2Å; M874-F958 HydrophobicContact CE-CZ 4.2Å; L879-F958 HydrophobicContact CD1-CD2 3.93Å; L879-F958 HydrophobicContact CD1-CE2 4.23Å; L879-F958 HydrophobicContact CD2-CD2 3.99Å; L879-F958 HydrophobicContact CD2-CE2 3.58Å; L879-F958 HydrophobicContact CD2-CZ 4.14Å; L879-F958 HydrophobicContact CG-CE2 4.44Å; V882-F958 HydrophobicContact CG1-CD2 4.47Å; V882-F958 HydrophobicContact CG2-CD2 4.2Å; V882-F958 HydrophobicContact CG2-CE2 3.91Å; F884-F958 HydrophobicContact CZ-CB 4.42Å; C954-F958 PolarHBondContact O-N 2.9Å; R955-F958 PolarHBondContact O-N 2.86Å; Y956-F958 VanDerWaalsContact C-N 3.31Å; Y956-F958 PolarHBondContact O-N 2.85Å; F958-A960 PolarHBondContact O-N 3.37Å; F958-Q961 PolarHBondContact O-N 2.73Å; F958-Q963 HydrophobicContact CD1-CG 3.85Å; F958-Q963 HydrophobicContact CE1-CB 3.82Å; F958-Q963 HydrophobicContact CE1-CG 3.6Å |
| 959 | Q | 85.2 | Confident | 88 | Confident | 35 Ų | 35 | 25.8 Ų | 25.8 | 16% | 0.164 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.9 | -27.4 | -179.7 | -73.1 | 177.1 | -52.9 | 0 | 0 | 113.8 | P873 R955 Y956 Q961 | P873-Q959 HydrophobicContact CB-CG 3.71Å; P873-Q959 HydrophobicContact CG-CG 4.12Å; R955-Q959 WeakPolarHBondContact O-CG 3.17Å; R955-Q959 PolarHBondContact O-N 3.02Å; Y956-Q959 PolarHBondContact O-N 2.8Å; Q959-Q961 PolarHBondContact O-N 2.64Å |
| 960 | A | 82.4 | Confident | 88 | Confident | 28 Ų | 28 | 26.2 Ų | 26.2 | 23% | 0.231 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -5.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V721 Y956 F958 | V721-A960 HydrophobicContact CG1-CB 4.23Å; Y956-A960 PolarHBondContact O-N 2.8Å; F958-A960 PolarHBondContact O-N 3.37Å |
| 961 | Q | 82.8 | Confident | 88 | Confident | 37 Ų | 37 | 27.6 Ų | 27.6 | 17% | 0.173 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -112.2 | 158.8 | 177.1 | -58.9 | -64.4 | -37.2 | 0 | 0 | 110.4 | V681 A742 F958 Q959 Q963 | V681-Q961 HydrophobicContact CB-CB 4.49Å; V681-Q961 HydrophobicContact CG1-CB 3.47Å; V681-Q961 VanDerWaalsContact CG1-CB 3.47Å; V681-Q961 HydrophobicContact CG1-CG 4.06Å; V681-Q961 HydrophobicContact CG2-CB 4.18Å; A742-Q961 HydrophobicContact CB-CG 4.4Å; F958-Q961 PolarHBondContact O-N 2.73Å; Q959-Q961 PolarHBondContact O-N 2.64Å; Q961-Q963 VanDerWaalsContact O-CG 3.28Å; Q961-Q963 WeakPolarHBondContact O-CG 3.42Å; Q961-Q963 PolarHBondContact O-N 3.43Å |
| 962 | P | 82.7 | Confident | 87.9 | Confident | 33 Ų | 33 | 24.1 Ų | 24.1 | 21% | 0.214 | 12% | 0.116 | C | C | . | . | trans | -69 | 116.9 | 177 | 27.8 | -33.2 | 0 | 0 | 0 | 110.8 | V682 P684 | V682-P962 PolarHBondContact N-O 3.34Å; V682-P962 VanDerWaalsContact N-O 3.14Å; V682-P962 WeakPolarHBondContact O-CG 3.47Å; P684-P962 HydrophobicContact CB-CG 4.14Å | ||
| 963 | Q | 86.1 | Confident | 87.8 | Confident | 24 Ų | 24 | 22.8 Ų | 22.8 | 11% | 0.112 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 141 | -170.1 | -49 | 174.6 | 53.8 | 0 | 0 | 110.4 | M874 F958 Q961 | M874-Q963 HydrophobicContact CE-CB 4.06Å; M874-Q963 HydrophobicContact CG-CB 4.4Å; M874-Q963 HydrophobicContact SD-CB 3.58Å; M874-Q963 VanDerWaalsContact SD-CB 3.58Å; F958-Q963 HydrophobicContact CD1-CG 3.85Å; F958-Q963 HydrophobicContact CE1-CB 3.82Å; F958-Q963 HydrophobicContact CE1-CG 3.6Å; Q961-Q963 VanDerWaalsContact O-CG 3.28Å; Q961-Q963 WeakPolarHBondContact O-CG 3.42Å; Q961-Q963 PolarHBondContact O-N 3.43Å |
| 964 | R | 87.9 | Confident | 87.8 | Confident | 41 Ų | 41 | 22.8 Ų | 22.8 | 16% | 0.155 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 147 | 172.5 | -69.9 | -64.9 | -179.8 | -85.3 | 8.1 | 112.1 | T680 V682 M874 V1044 S1046 S1047 D1048 | T680-R964 HydrophobicContact CG2-CB 4.13Å; T680-R964 PolarHBondContact N-O 3.03Å; T680-R964 PolarHBondContact O-N 2.91Å; V682-R964 HydrophobicContact CB-CG 4.48Å; V682-R964 HydrophobicContact CG2-CB 3.94Å; V682-R964 HydrophobicContact CG2-CG 3.58Å; M874-R964 WeakPolarHBondContact CE-O 3.27Å; R964-V1044 HydrophobicContact CB-CG1 3.54Å; R964-V1044 HydrophobicContact CG-CG1 3.98Å; R964-S1046 PolarHBondContact NE-O 2.82Å; R964-S1047 WeakPolarHBondContact CD-O 3.46Å; R964-D1048 IonicContact CZ-OD2 2.69Å; R964-D1048 IonicContact NH1-OD1 2.75Å; R964-D1048 IonicContact NH1-OD2 2.88Å; R964-D1048 PolarHBondContact NH1-OD2 3.39Å; R964-D1048 VanDerWaalsContact NH2-CB 3.31Å; R964-D1048 IonicContact NH2-OD2 3.15Å; R964-D1048 PolarHBondContact NH2-OD2 3.18Å |
| 965 | L | 89.2 | Confident | 87.5 | Confident | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 138.1 | 170 | -158.8 | 73.3 | 0 | 0 | 0 | 108.8 | F677 I1045 | F677-L965 HydrophobicContact CB-CD1 3.84Å; F677-L965 HydrophobicContact CB-CD2 4.34Å; F677-L965 HydrophobicContact CB-CG 4.02Å; F677-L965 HydrophobicContact CD1-CD1 4.49Å; F677-L965 HydrophobicContact CD1-CD2 3.49Å; F677-L965 VanDerWaalsContact CD1-CD2 3.49Å; F677-L965 HydrophobicContact CD1-CG 3.8Å; F677-L965 HydrophobicContact CE1-CD2 3.86Å; F677-L965 HydrophobicContact CG-CD1 4.3Å; F677-L965 HydrophobicContact CG-CD2 3.9Å; F677-L965 HydrophobicContact CG-CG 4.11Å; L965-I1045 HydrophobicContact CB-CD1 4.28Å; L965-I1045 HydrophobicContact CD2-CD1 4.12Å; L965-I1045 WeakPolarHBondContact O-CB 3.47Å; L965-I1045 WeakPolarHBondContact O-CG1 3.28Å; L965-I1045 PolarHBondContact O-N 3.29Å |
| 966 | M | 89.4 | Confident | 87.5 | Confident | 15 Ų | 15 | 19.7 Ų | 19.7 | 7% | 0.074 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.2 | 168.8 | -51.1 | -179.7 | 71.2 | 0 | 0 | 109.7 | F677 R678 T680 M880 W1042 E1043 V1044 | F677-M966 WeakPolarHBondContact CD1-O 3.3Å; R678-M966 HydrophobicContact CB-CB 4.1Å; R678-M966 HydrophobicContact CB-CG 4.43Å; R678-M966 HydrophobicContact CB-SD 4.31Å; R678-M966 PolarHBondContact N-O 3.38Å; R678-M966 VanDerWaalsContact N-O 3.12Å; R678-M966 PolarHBondContact O-N 2.89Å; T680-M966 HydrophobicContact CG2-CG 3.63Å; T680-M966 HydrophobicContact CG2-SD 3.89Å; M880-M966 HydrophobicContact CB-SD 4.02Å; M880-M966 HydrophobicContact CG-SD 4.21Å; M880-M966 HydrophobicContact SD-CE 4.42Å; M880-M966 HydrophobicContact SD-SD 4.21Å; M966-W1042 HydrophobicContact CB-CB 4.48Å; M966-W1042 HydrophobicContact CE-CB 3.76Å; M966-W1042 WeakPolarHBondContact CE-O 3.19Å; M966-E1043 CarbonylContact C-O 3.52Å; M966-E1043 VanDerWaalsContact CA-O 3.23Å; M966-E1043 WeakPolarHBondContact CA-O 3.43Å; M966-V1044 HydrophobicContact CE-CG2 3.95Å; M966-V1044 HydrophobicContact CG-CG2 4.17Å |
| 967 | A | 89.4 | Confident | 87.3 | Confident | 7 Ų | 7 | 18.8 Ų | 18.8 | 6% | 0.058 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 146 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | F677 M969 W1042 E1043 I1045 | F677-A967 HydrophobicContact CE1-CB 4.47Å; A967-M969 HydrophobicContact CB-SD 4.35Å; A967-W1042 WeakPolarHBondContact O-CA 3.48Å; A967-E1043 PolarHBondContact N-O 2.91Å; A967-E1043 PolarHBondContact O-N 3.12Å; A967-I1045 HydrophobicContact CB-CD1 4.21Å; A967-I1045 HydrophobicContact CB-CG1 4.1Å |
| 968 | A | 89.1 | Confident | 87.3 | Confident | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 135.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | V1015 F1039 W1042 | A968-V1015 HydrophobicContact CB-CB 4.08Å; A968-V1015 HydrophobicContact CB-CG2 3.6Å; A968-V1015 VanDerWaalsContact O-CG2 3.32Å; A968-V1015 WeakPolarHBondContact O-CG2 3.18Å; A968-V1015 PolarHBondContact O-N 2.85Å; A968-F1039 HydrophobicContact CB-CE2 4.05Å; A968-W1042 HydrophobicContact CB-CE3 3.97Å; A968-W1042 HydrophobicContact CB-CH2 4.02Å; A968-W1042 HydrophobicContact CB-CZ3 3.68Å |
| 969 | M | 89.3 | Confident | 87.3 | Confident | 13 Ų | 13 | 29.5 Ų | 29.5 | 6% | 0.064 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.5 | 176.6 | -58.2 | -60.3 | -78.1 | 0 | 0 | 110.3 | A967 V1012 P1014 S1040 H1041 E1043 | A967-M969 HydrophobicContact CB-SD 4.35Å; M969-V1012 HydrophobicContact CE-CB 3.93Å; M969-V1012 HydrophobicContact CE-CG2 3.91Å; M969-P1014 HydrophobicContact CE-CG 4.01Å; M969-P1014 HydrophobicContact SD-CB 4.1Å; M969-P1014 HydrophobicContact SD-CG 3.98Å; M969-S1040 WeakPolarHBondContact O-CB 3.37Å; M969-S1040 PolarHBondContact O-N 2.93Å; M969-S1040 VanDerWaalsContact O-N 3.12Å; M969-H1041 PolarHBondContact N-O 3.27Å; M969-E1043 HydrophobicContact CG-CB 3.52Å; M969-E1043 HydrophobicContact SD-CB 4.27Å |
| 970 | Y | 89.8 | Confident | 87.6 | Confident | 13 Ų | 13 | 27.9 Ų | 27.9 | 5% | 0.051 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 133.2 | 161.6 | -69.8 | -43.7 | 0 | 0 | 0 | 109.2 | V1012 L1013 V1015 S1018 L1037 V1038 F1039 | Y970-V1012 CarbonylContact O-C 3.59Å; Y970-V1012 WeakPolarHBondContact O-CA 3.37Å; Y970-L1013 PolarHBondContact N-O 3.21Å; Y970-L1013 PolarHBondContact O-N 3.39Å; Y970-V1015 HydrophobicContact CD1-CG2 3.95Å; Y970-V1015 HydrophobicContact CD2-CB 4.4Å; Y970-V1015 HydrophobicContact CD2-CG2 3.74Å; Y970-V1015 HydrophobicContact CE1-CG2 3.85Å; Y970-V1015 HydrophobicContact CE2-CB 4.12Å; Y970-V1015 HydrophobicContact CE2-CG1 3.85Å; Y970-V1015 HydrophobicContact CE2-CG2 3.66Å; Y970-V1015 HydrophobicContact CG-CG2 3.88Å; Y970-S1018 WeakPolarHBondContact CE2-OG 3.49Å; Y970-L1037 HydrophobicContact CD2-CB 4.08Å; Y970-L1037 HydrophobicContact CD2-CD1 4.04Å; Y970-L1037 HydrophobicContact CD2-CD2 4.3Å; Y970-L1037 HydrophobicContact CD2-CG 4.38Å; Y970-L1037 HydrophobicContact CE2-CD1 4.4Å; Y970-L1037 HydrophobicContact CG-CB 4.11Å; Y970-L1037 HydrophobicContact CG-CD2 4.48Å; Y970-V1038 CarbonylContact C-O 3.52Å; Y970-V1038 VanDerWaalsContact CA-O 3.26Å; Y970-V1038 WeakPolarHBondContact CA-O 3.44Å; Y970-F1039 HydrophobicContact CD1-CB 4.35Å; Y970-F1039 HydrophobicContact CE1-CB 4.34Å |
| 971 | T | 89.7 | Confident | 87.9 | Confident | 29 Ų | 29 | 27.7 Ų | 27.7 | 18% | 0.178 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 132.4 | 153.1 | -66.8 | 0 | 0 | 0 | 0 | 106.6 | E973 A1011 V1038 S1040 | T971-E973 HydrophobicContact CG2-CG 4.2Å; T971-A1011 CarbonylContact C-O 3.6Å; T971-A1011 WeakPolarHBondContact CA-O 3.41Å; T971-V1038 PolarHBondContact N-O 3.18Å; T971-V1038 PolarHBondContact O-N 3.41Å; T971-S1040 WeakPolarHBondContact OG1-CB 3.47Å; T971-S1040 PolarHBondContact OG1-OG 2.97Å |
| 972 | C | 89.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 111 | -177.6 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | I974 A1011 L1013 F1021 Q1036 L1037 | C972-I974 VanDerWaalsContact SG-CG1 3.55Å; C972-A1011 PolarHBondContact N-O 3.21Å; C972-A1011 PolarHBondContact O-N 3.02Å; C972-L1013 HydrophobicContact CB-CB 4.48Å; C972-F1021 WeakPolarHBondContact SG-CE1 3.24Å; C972-Q1036 WeakPolarHBondContact CA-O 3.44Å; C972-L1037 HydrophobicContact CB-CD2 3.78Å |
| 973 | E | 87.9 | Confident | 88.8 | Confident | 59 Ų | 59 | 33.3 Ų | 33.3 | 28% | 0.276 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 120.7 | 175.9 | -62.2 | -170.5 | -155.4 | 0 | 0 | 109.2 | P125 T971 I1009 T1010 P1035 Q1036 | P125-E973 WeakPolarHBondContact CB-OE2 3.45Å; P125-E973 HydrophobicContact CG-CB 4.39Å; P125-E973 WeakPolarHBondContact CG-OE2 3.18Å; T971-E973 HydrophobicContact CG2-CG 4.2Å; E973-I1009 WeakPolarHBondContact CA-O 3.4Å; E973-T1010 HydrophobicContact CG-CG2 4.28Å; E973-P1035 CarbonylContact O-C 3.51Å; E973-P1035 WeakPolarHBondContact O-CA 3.39Å; E973-Q1036 PolarHBondContact N-O 3.19Å; E973-Q1036 PolarHBondContact O-N 3.18Å |
| 974 | I | 88.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 114.6 | -172.5 | -41.6 | -177.9 | 0 | 0 | 0 | 108.8 | C972 V984 L988 I1009 F1021 I1025 A1033 P1035 | C972-I974 VanDerWaalsContact SG-CG1 3.55Å; I974-V984 HydrophobicContact CD1-CG1 3.56Å; I974-V984 HydrophobicContact CG2-CG1 4.15Å; I974-L988 HydrophobicContact CD1-CD1 4Å; I974-L988 HydrophobicContact CD1-CD2 4.3Å; I974-L988 HydrophobicContact CD1-CG 4.3Å; I974-I1009 HydrophobicContact CB-CB 4.34Å; I974-I1009 PolarHBondContact N-O 3.13Å; I974-I1009 PolarHBondContact O-N 3.18Å; I974-F1021 HydrophobicContact CD1-CZ 4.25Å; I974-I1025 HydrophobicContact CD1-CD1 3.88Å; I974-A1033 HydrophobicContact CG2-CB 4.15Å; I974-P1035 HydrophobicContact CD1-CB 4.41Å; I974-P1035 HydrophobicContact CG1-CB 4Å; I974-P1035 HydrophobicContact CG2-CB 4.5Å |
| 975 | M | 85.6 | Confident | 89.3 | Confident | 31 Ų | 31 | 33.5 Ų | 33.5 | 15% | 0.153 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.2 | 166.6 | -58.8 | -171.8 | -59.8 | 0 | 0 | 108.3 | H27 C124 F1007 I1008 A1033 S1034 | H27-M975 WeakPolarHBondContact NE2-CE 3.4Å; C124-M975 HydrophobicContact CB-CE 4.35Å; C124-M975 HydrophobicContact CB-SD 4.19Å; C124-M975 VanDerWaalsContact SG-SD 3.62Å; M975-F1007 WeakPolarHBondContact CA-O 3.42Å; M975-I1008 HydrophobicContact CG-CG1 4.44Å; M975-A1033 VanDerWaalsContact O-CA 3.23Å; M975-A1033 WeakPolarHBondContact O-CA 3.29Å; M975-S1034 PolarHBondContact O-N 3.28Å |
| 976 | A | 87.8 | Confident | 89.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 148.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V980 L981 V984 F1007 A1033 | A976-V980 HydrophobicContact CB-CG2 4.09Å; A976-L981 HydrophobicContact CB-CD2 4.12Å; A976-V984 HydrophobicContact CB-CG2 4.33Å; A976-F1007 PolarHBondContact N-O 3.03Å; A976-F1007 PolarHBondContact O-N 2.87Å; A976-A1033 HydrophobicContact CB-CB 3.79Å |
| 977 | T | 85.3 | Confident | 89.6 | Confident | 26 Ų | 26 | 34.4 Ų | 34.4 | 16% | 0.16 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 155.9 | 169.6 | 61.1 | 0 | 0 | 0 | 0 | 111.9 | E979 V980 L981 M1006 | T977-E979 PolarHBondContact O-N 2.77Å; T977-E979 VanDerWaalsContact O-N 3.1Å; T977-V980 WeakPolarHBondContact O-CG2 3.4Å; T977-V980 PolarHBondContact O-N 2.87Å; T977-L981 PolarHBondContact O-N 3.24Å; T977-M1006 HydrophobicContact CG2-CE 3.67Å; T977-M1006 HydrophobicContact CG2-SD 3.61Å |
| 978 | A | 87.1 | Confident | 89.7 | Confident | 59 Ų | 59 | 34.1 Ų | 34.1 | 49% | 0.488 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -49.3 | -38 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | V980 F1007 | A978-V980 VanDerWaalsContact C-N 3.26Å; A978-V980 PolarHBondContact O-N 3.4Å; A978-F1007 HydrophobicContact CB-CE2 4Å |
| 979 | E | 88.4 | Confident | 89.8 | Confident | 166 Ų | 166 | 36.7 Ų | 36.7 | 78% | 0.776 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -64 | -25.3 | -178.8 | -59.4 | -172 | 164.6 | 0 | 0 | 114.4 | T977 | T977-E979 PolarHBondContact O-N 2.77Å; T977-E979 VanDerWaalsContact O-N 3.1Å |
| 980 | V | 90.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -108.6 | -5.6 | -174.2 | -58.8 | 0 | 0 | 0 | 0 | 114.3 | A976 T977 A978 G982 R983 V984 T1029 L1032 A1033 | A976-V980 HydrophobicContact CB-CG2 4.09Å; T977-V980 WeakPolarHBondContact O-CG2 3.4Å; T977-V980 PolarHBondContact O-N 2.87Å; A978-V980 VanDerWaalsContact C-N 3.26Å; A978-V980 PolarHBondContact O-N 3.4Å; V980-G982 PolarHBondContact O-N 3.08Å; V980-R983 WeakPolarHBondContact O-CA 3.34Å; V980-R983 WeakPolarHBondContact O-CB 3.36Å; V980-R983 PolarHBondContact O-N 3.03Å; V980-V984 PolarHBondContact O-N 3.39Å; V980-T1029 HydrophobicContact CB-CG2 3.89Å; V980-T1029 HydrophobicContact CG1-CG2 4.45Å; V980-T1029 HydrophobicContact CG2-CG2 4.12Å; V980-L1032 HydrophobicContact CG1-CB 4.15Å; V980-L1032 HydrophobicContact CG1-CD1 4.12Å; V980-L1032 HydrophobicContact CG2-CB 4.28Å; V980-A1033 HydrophobicContact CG2-CB 4.27Å |
| 981 | L | 90.2 | Very high | 89.8 | Confident | 23 Ų | 23 | 42.9 Ų | 42.9 | 12% | 0.12 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -49.4 | -51 | 179.4 | -63.6 | 175.4 | 0 | 0 | 0 | 112.6 | A976 T977 R983 V984 Y985 F1007 I1009 | A976-L981 HydrophobicContact CB-CD2 4.12Å; T977-L981 PolarHBondContact O-N 3.24Å; L981-R983 PolarHBondContact O-N 3.17Å; L981-R983 VanDerWaalsContact O-N 3.16Å; L981-V984 WeakPolarHBondContact O-CB 3.42Å; L981-V984 PolarHBondContact O-N 2.95Å; L981-Y985 HydrophobicContact CB-CD2 4.49Å; L981-Y985 HydrophobicContact CB-CE2 4.29Å; L981-Y985 WeakPolarHBondContact O-CD2 3.47Å; L981-Y985 PolarHBondContact O-N 2.99Å; L981-F1007 HydrophobicContact CD1-CD1 4.4Å; L981-F1007 HydrophobicContact CD1-CD2 4.26Å; L981-F1007 HydrophobicContact CD1-CG 4.22Å; L981-F1007 HydrophobicContact CD2-CB 3.94Å; L981-F1007 HydrophobicContact CD2-CG 4.26Å; L981-I1009 HydrophobicContact CD2-CD1 3.81Å; L981-I1009 HydrophobicContact CD2-CG1 4.33Å |
| 982 | G | 90.9 | Very high | 89.6 | Confident | 61 Ų | 61 | 46.6 Ų | 46.6 | 63% | 0.629 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60.5 | -26.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V980 G986 | V980-G982 PolarHBondContact O-N 3.08Å; G982-G986 PolarHBondContact O-N 3.48Å; G982-G986 VanDerWaalsContact O-N 3.08Å |
| 983 | R | 92.4 | Very high | 89.5 | Confident | 127 Ų | 127 | 47.1 Ų | 47.1 | 48% | 0.479 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -77.8 | -37.7 | 173.9 | -52 | -172.5 | -165.9 | 177.1 | 7.2 | 111.7 | V980 L981 G986 V987 R1028 T1029 | V980-R983 WeakPolarHBondContact O-CA 3.34Å; V980-R983 WeakPolarHBondContact O-CB 3.36Å; V980-R983 PolarHBondContact O-N 3.03Å; L981-R983 PolarHBondContact O-N 3.17Å; L981-R983 VanDerWaalsContact O-N 3.16Å; R983-G986 CarbonylContact O-C 3.56Å; R983-G986 PolarHBondContact O-N 3.4Å; R983-V987 WeakPolarHBondContact O-CG2 3.45Å; R983-V987 PolarHBondContact O-N 3Å; R983-V987 VanDerWaalsContact O-N 3.16Å; R983-R1028 WeakPolarHBondContact CD-O 3.47Å; R983-R1028 PolarHBondContact NH1-O 2.86Å; R983-T1029 HydrophobicContact CB-CG2 4.48Å |
| 984 | V | 91.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.5 | -49.5 | 174.8 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | I974 A976 V980 L981 G986 V987 L988 I1009 I1025 T1029 A1033 | I974-V984 HydrophobicContact CD1-CG1 3.56Å; I974-V984 HydrophobicContact CG2-CG1 4.15Å; A976-V984 HydrophobicContact CB-CG2 4.33Å; V980-V984 PolarHBondContact O-N 3.39Å; L981-V984 WeakPolarHBondContact O-CB 3.42Å; L981-V984 PolarHBondContact O-N 2.95Å; V984-G986 VanDerWaalsContact C-N 3.28Å; V984-G986 PolarHBondContact O-N 2.84Å; V984-V987 PolarHBondContact O-N 2.87Å; V984-L988 HydrophobicContact CG1-CD1 4.04Å; V984-L988 PolarHBondContact O-N 3.05Å; V984-I1009 HydrophobicContact CB-CD1 4.37Å; V984-I1009 HydrophobicContact CG1-CD1 3.81Å; V984-I1025 HydrophobicContact CG1-CD1 4.24Å; V984-I1025 HydrophobicContact CG2-CG2 4.5Å; V984-T1029 HydrophobicContact CG2-CG2 3.93Å; V984-A1033 HydrophobicContact CG2-CB 3.86Å |
| 985 | Y | 92.8 | Very high | 89.9 | Confident | 70 Ų | 70 | 52.7 Ų | 52.7 | 28% | 0.275 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.8 | -37.7 | 173.8 | -66.3 | -43 | 0 | 0 | 0 | 112.4 | L981 V987 L988 G989 V995 E998 I1009 | L981-Y985 HydrophobicContact CB-CD2 4.49Å; L981-Y985 HydrophobicContact CB-CE2 4.29Å; L981-Y985 WeakPolarHBondContact O-CD2 3.47Å; L981-Y985 PolarHBondContact O-N 2.99Å; Y985-V987 PolarHBondContact O-N 2.89Å; Y985-L988 HydrophobicContact CD1-CD1 4.05Å; Y985-L988 HydrophobicContact CE1-CD1 4.41Å; Y985-L988 PolarHBondContact O-N 3.4Å; Y985-G989 PolarHBondContact O-N 3.46Å; Y985-V995 HydrophobicContact CD1-CG2 3.78Å; Y985-V995 HydrophobicContact CE1-CB 4.5Å; Y985-V995 HydrophobicContact CE1-CG1 4.31Å; Y985-V995 HydrophobicContact CE1-CG2 3.45Å; Y985-V995 VanDerWaalsContact CE1-CG2 3.45Å; Y985-E998 PolarHBondContact OH-OE1 2.68Å; Y985-E998 PolarHBondContact OH-OE2 2.89Å; Y985-I1009 HydrophobicContact CE1-CD1 3.91Å; Y985-I1009 HydrophobicContact CE1-CG1 4.41Å; Y985-I1009 HydrophobicContact CE1-CG2 3.98Å |
| 986 | G | 92.1 | Very high | 90.2 | Very high | 35 Ų | 35 | 56 Ų | 56 | 36% | 0.361 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.7 | -6.9 | 172 | 0 | 0 | 0 | 0 | 0 | 116.2 | G982 R983 V984 R1028 | G982-G986 PolarHBondContact O-N 3.48Å; G982-G986 VanDerWaalsContact O-N 3.08Å; R983-G986 CarbonylContact O-C 3.56Å; R983-G986 PolarHBondContact O-N 3.4Å; V984-G986 VanDerWaalsContact C-N 3.28Å; V984-G986 PolarHBondContact O-N 2.84Å; G986-R1028 PolarHBondContact O-NH1 3.47Å |
| 987 | V | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -99.7 | -45.3 | 166.5 | -179.2 | 0 | 0 | 0 | 0 | 110.3 | R983 V984 Y985 K990 R991 F1021 E1024 I1025 R1028 | R983-V987 WeakPolarHBondContact O-CG2 3.45Å; R983-V987 PolarHBondContact O-N 3Å; R983-V987 VanDerWaalsContact O-N 3.16Å; V984-V987 PolarHBondContact O-N 2.87Å; Y985-V987 PolarHBondContact O-N 2.89Å; V987-K990 WeakPolarHBondContact O-CB 3.34Å; V987-K990 PolarHBondContact O-N 2.78Å; V987-R991 PolarHBondContact O-N 2.9Å; V987-F1021 HydrophobicContact CG1-CD2 3.86Å; V987-F1021 HydrophobicContact CG1-CE2 3.83Å; V987-E1024 HydrophobicContact CG1-CB 4.36Å; V987-E1024 HydrophobicContact CG1-CG 4.02Å; V987-E1024 HydrophobicContact CG2-CG 4.12Å; V987-I1025 HydrophobicContact CB-CG1 3.96Å; V987-I1025 HydrophobicContact CG1-CG1 3.81Å; V987-I1025 HydrophobicContact CG2-CG1 4.2Å; V987-R1028 HydrophobicContact CG2-CG 4.33Å |
| 988 | L | 92.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -54.2 | -54.8 | 175.9 | -78 | 168.5 | 0 | 0 | 0 | 111.4 | I974 V984 Y985 K990 R991 E992 G993 V995 A1011 F1021 | I974-L988 HydrophobicContact CD1-CD1 4Å; I974-L988 HydrophobicContact CD1-CD2 4.3Å; I974-L988 HydrophobicContact CD1-CG 4.3Å; V984-L988 HydrophobicContact CG1-CD1 4.04Å; V984-L988 PolarHBondContact O-N 3.05Å; Y985-L988 HydrophobicContact CD1-CD1 4.05Å; Y985-L988 HydrophobicContact CE1-CD1 4.41Å; Y985-L988 PolarHBondContact O-N 3.4Å; L988-K990 VanDerWaalsContact C-N 3.28Å; L988-K990 PolarHBondContact O-N 2.94Å; L988-R991 CarbonylContact O-C 3.29Å; L988-R991 VanDerWaalsContact O-C 3.29Å; L988-R991 WeakPolarHBondContact O-CA 3.37Å; L988-R991 PolarHBondContact O-N 3.05Å; L988-E992 PolarHBondContact O-N 2.99Å; L988-E992 VanDerWaalsContact O-N 3.09Å; L988-G993 PolarHBondContact O-N 2.79Å; L988-V995 HydrophobicContact CD1-CG2 4.11Å; L988-A1011 HydrophobicContact CD1-CB 4.19Å; L988-A1011 HydrophobicContact CD2-CB 3.98Å; L988-F1021 HydrophobicContact CD2-CE2 3.98Å; L988-F1021 HydrophobicContact CD2-CZ 3.67Å; L988-F1021 HydrophobicContact CG-CE2 4.45Å; L988-F1021 HydrophobicContact CG-CZ 4.29Å |
| 989 | G | 90.2 | Very high | 90.7 | Very high | 55 Ų | 55 | 65.6 Ų | 65.6 | 57% | 0.567 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -63.8 | -29.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y985 R991 | Y985-G989 PolarHBondContact O-N 3.46Å; G989-R991 VanDerWaalsContact C-N 3.25Å; G989-R991 PolarHBondContact O-N 2.72Å |
| 990 | K | 90 | Very high | 90.5 | Very high | 128 Ų | 128 | 62.9 Ų | 62.9 | 56% | 0.557 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -66.7 | -28.4 | 172.3 | 176.9 | -167.4 | 166.1 | -149.7 | 0 | 111.8 | V987 L988 E1024 | V987-K990 WeakPolarHBondContact O-CB 3.34Å; V987-K990 PolarHBondContact O-N 2.78Å; L988-K990 VanDerWaalsContact C-N 3.28Å; L988-K990 PolarHBondContact O-N 2.94Å; K990-E1024 IonicContact NZ-OE1 3.66Å; K990-E1024 PolarHBondContact NZ-OE1 2.84Å; K990-E1024 IonicContact NZ-OE2 3.8Å; K990-E1024 PolarHBondContact NZ-OE2 3.35Å |
| 991 | R | 88.9 | Confident | 89.8 | Confident | 29 Ų | 29 | 63.8 Ų | 63.8 | 11% | 0.109 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -111.8 | 23.2 | -176.7 | -55 | -143.4 | -168.4 | -169.3 | 0.4 | 112.8 | V987 L988 G989 G993 L1013 E1017 F1019 G1020 E1024 | V987-R991 PolarHBondContact O-N 2.9Å; L988-R991 CarbonylContact O-C 3.29Å; L988-R991 VanDerWaalsContact O-C 3.29Å; L988-R991 WeakPolarHBondContact O-CA 3.37Å; L988-R991 PolarHBondContact O-N 3.05Å; G989-R991 VanDerWaalsContact C-N 3.25Å; G989-R991 PolarHBondContact O-N 2.72Å; R991-G993 PolarHBondContact O-N 2.86Å; R991-G993 VanDerWaalsContact O-N 3.1Å; R991-L1013 HydrophobicContact CB-CD1 3.88Å; R991-L1013 WeakPolarHBondContact O-CD1 3.35Å; R991-E1017 HydrophobicContact CB-CB 4.13Å; R991-E1017 WeakPolarHBondContact CD-O 3.36Å; R991-E1017 PolarHBondContact NH1-O 2.88Å; R991-F1019 PolarHBondContact NH1-O 2.98Å; R991-G1020 PolarHBondContact NH2-O 3.14Å; R991-G1020 VanDerWaalsContact NH2-O 3.13Å; R991-E1024 IonicContact CZ-OE2 2.76Å; R991-E1024 IonicContact NE-OE2 3.27Å; R991-E1024 PolarHBondContact NE-OE2 2.7Å; R991-E1024 VanDerWaalsContact NE-OE2 3.09Å; R991-E1024 IonicContact NH2-OE2 3.14Å; R991-E1024 PolarHBondContact NH2-OE2 2.83Å |
| 992 | E | 85.8 | Confident | 88.8 | Confident | 107 Ų | 107 | 69 Ų | 69 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 23.4 | 177.9 | -60 | 171.2 | -166.6 | 0 | 0 | 114.6 | L988 R994 Q1071 | L988-E992 PolarHBondContact O-N 2.99Å; L988-E992 VanDerWaalsContact O-N 3.09Å; E992-R994 PolarHBondContact O-N 3Å; E992-Q1071 PolarHBondContact OE1-NE2 3.25Å; E992-Q1071 PolarHBondContact OE2-NE2 2.94Å |
| 993 | G | 87.9 | Confident | 87.3 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 119.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L988 R991 V1012 | L988-G993 PolarHBondContact O-N 2.79Å; R991-G993 PolarHBondContact O-N 2.86Å; R991-G993 VanDerWaalsContact O-N 3.1Å; G993-V1012 CarbonylContact C-O 3.53Å; G993-V1012 WeakPolarHBondContact CA-O 3.42Å |
| 994 | R | 90.9 | Very high | 86.2 | Confident | 121 Ų | 121 | 63.7 Ų | 63.7 | 46% | 0.457 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 118.8 | 175.4 | 179.1 | 179.2 | 65.6 | -138 | -9.1 | 109.7 | E992 A1011 V1012 E1043 | E992-R994 PolarHBondContact O-N 3Å; R994-A1011 CarbonylContact O-C 3.55Å; R994-A1011 VanDerWaalsContact O-CA 3.28Å; R994-A1011 WeakPolarHBondContact O-CA 3.27Å; R994-A1011 WeakPolarHBondContact O-CB 3.41Å; R994-V1012 HydrophobicContact CB-CG2 3.96Å; R994-V1012 PolarHBondContact N-O 3.26Å; R994-V1012 PolarHBondContact O-N 3.27Å; R994-E1043 IonicContact CZ-OE1 3.51Å; R994-E1043 VanDerWaalsContact CZ-OE1 3.26Å; R994-E1043 IonicContact CZ-OE2 2.69Å; R994-E1043 IonicContact NH1-OE1 3.26Å; R994-E1043 PolarHBondContact NH1-OE1 3.19Å; R994-E1043 IonicContact NH1-OE2 3.62Å; R994-E1043 IonicContact NH2-OE1 3.4Å; R994-E1043 PolarHBondContact NH2-OE1 3.24Å; R994-E1043 IonicContact NH2-OE2 3.2Å; R994-E1043 PolarHBondContact NH2-OE2 3.36Å |
| 995 | V | 93.8 | Very high | 85.4 | Confident | 54 Ų | 54 | 69.7 Ų | 69.7 | 33% | 0.327 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 134.5 | 171.9 | -176.3 | 0 | 0 | 0 | 0 | 109 | Y985 L988 I1009 | Y985-V995 HydrophobicContact CD1-CG2 3.78Å; Y985-V995 HydrophobicContact CE1-CB 4.5Å; Y985-V995 HydrophobicContact CE1-CG1 4.31Å; Y985-V995 HydrophobicContact CE1-CG2 3.45Å; Y985-V995 VanDerWaalsContact CE1-CG2 3.45Å; L988-V995 HydrophobicContact CD1-CG2 4.11Å; V995-I1009 HydrophobicContact CG1-CG2 3.92Å; V995-I1009 HydrophobicContact CG2-CG2 4.38Å |
| 996 | L | 91.9 | Very high | 84.8 | Confident | 101 Ų | 101 | 69.7 Ų | 69.7 | 53% | 0.529 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -46.6 | 175.8 | -61.4 | -173.3 | 0 | 0 | 0 | 111.3 | T1010 V1012 | L996-T1010 PolarHBondContact N-O 3.1Å; L996-V1012 HydrophobicContact CD1-CG1 3.88Å; L996-V1012 HydrophobicContact CD2-CG2 4.41Å; L996-V1012 HydrophobicContact CG-CG1 4.33Å |
| 997 | H | 91 | Very high | 84.5 | Confident | 100 Ų | 100 | 70 Ų | 70 | 46% | 0.463 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 147.5 | -174.8 | -169.5 | 31.6 | 0 | 0 | 0 | 111.2 | E999 T1010 | H997-E999 IonicContact CD2-OE1 2.68Å; H997-E999 IonicContact CE1-OE1 3.19Å; H997-E999 VanDerWaalsContact NE2-CD 3.25Å; H997-E999 WeakPolarHBondContact NE2-CG 3.42Å; H997-E999 IonicContact NE2-OE1 3.85Å; H997-E999 PolarHBondContact NE2-OE1 3Å; H997-T1010 WeakPolarHBondContact CB-OG1 3.39Å; H997-T1010 PolarHBondContact N-O 3.09Å; H997-T1010 PolarHBondContact N-OG1 2.93Å; H997-T1010 PolarHBondContact O-N 2.68Å; H997-T1010 PolarHBondContact O-OG1 3.44Å |
| 998 | E | 91.1 | Very high | 84.3 | Confident | 78 Ų | 78 | 71.5 Ų | 71.5 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 121.1 | -179.9 | 174.8 | 173.7 | -163 | 0 | 0 | 109.1 | Y985 F1007 | Y985-E998 PolarHBondContact OH-OE1 2.68Å; Y985-E998 PolarHBondContact OH-OE2 2.89Å; E998-F1007 HydrophobicContact CG-CD1 4.14Å |
| 999 | E | 89.2 | Confident | 84.2 | Confident | 108 Ų | 108 | 71.5 Ų | 71.5 | 51% | 0.505 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.8 | 179.8 | -62 | -166.6 | 144.7 | 0 | 0 | 111.7 | H997 F1007 I1008 | H997-E999 IonicContact CD2-OE1 2.68Å; H997-E999 IonicContact CE1-OE1 3.19Å; H997-E999 VanDerWaalsContact NE2-CD 3.25Å; H997-E999 WeakPolarHBondContact NE2-CG 3.42Å; H997-E999 IonicContact NE2-OE1 3.85Å; H997-E999 PolarHBondContact NE2-OE1 3Å; E999-F1007 CarbonylContact O-C 3.55Å; E999-F1007 VanDerWaalsContact O-CA 3.27Å; E999-F1007 WeakPolarHBondContact O-CA 3.36Å; E999-I1008 PolarHBondContact N-O 2.97Å; E999-I1008 PolarHBondContact O-N 2.94Å |
| 1000 | M | 84.1 | Confident | 84.3 | Confident | 109 Ų | 109 | 70.4 Ų | 70.4 | 54% | 0.537 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 127.8 | 167 | -171.3 | -177.7 | 178.8 | 0 | 0 | 109.6 | E1002 T1004 F1007 | M1000-E1002 PolarHBondContact O-N 3.29Å; M1000-T1004 WeakPolarHBondContact CE-O 3.27Å; M1000-F1007 HydrophobicContact CB-CD1 4.08Å; M1000-F1007 HydrophobicContact CB-CE1 3.74Å; M1000-F1007 HydrophobicContact CB-CZ 3.99Å; M1000-F1007 HydrophobicContact CG-CE1 4.11Å; M1000-F1007 HydrophobicContact CG-CE2 4.05Å; M1000-F1007 HydrophobicContact CG-CZ 3.84Å; M1000-F1007 HydrophobicContact SD-CE2 4.45Å; M1000-F1007 HydrophobicContact SD-CZ 4.06Å |
| 1001 | K | 74.9 | Confident | 84.5 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 10% | 0.096 | 33% | 0.327 | C | S | . | . | trans | -81.1 | 107 | -176.3 | -172 | 179.6 | -160.2 | 168.6 | 0 | 111.3 | E121 V123 G1003 T1004 M1006 I1008 | E121-K1001 WeakPolarHBondContact O-CE 3.48Å; E121-K1001 PolarHBondContact O-NZ 3.49Å; V123-K1001 WeakPolarHBondContact O-CE 3.07Å; V123-K1001 PolarHBondContact O-NZ 3.01Å; K1001-G1003 PolarHBondContact O-N 2.93Å; K1001-T1004 WeakPolarHBondContact CB-OG1 3.06Å; K1001-T1004 PolarHBondContact O-N 3.43Å; K1001-T1004 VanDerWaalsContact O-O 3.08Å; K1001-T1004 PolarHBondContact O-OG1 3.43Å; K1001-M1006 WeakPolarHBondContact CB-O 3.26Å; K1001-M1006 PolarHBondContact N-O 2.91Å; K1001-I1008 HydrophobicContact CD-CD1 4.25Å | ||
| 1002 | E | 70.6 | Confident | 84.7 | Confident | 133 Ų | 133 | 63 Ų | 63 | 62% | 0.621 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.5 | 121.9 | -177.6 | -85.2 | -156.7 | -148.8 | 0 | 0 | 114.5 | K168 M1000 | K168-E1002 IonicContact NZ-OE2 2.7Å; K168-E1002 PolarHBondContact NZ-OE2 3Å; M1000-E1002 PolarHBondContact O-N 3.29Å |
| 1003 | G | 59.6 | Low | 85 | Confident | 52 Ų | 52 | 58 Ų | 58 | 54% | 0.536 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -4.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1001 | K1001-G1003 PolarHBondContact O-N 2.93Š|
| 1004 | T | 68.5 | Low | 85.2 | Confident | 23 Ų | 23 | 58 Ų | 58 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -133.6 | 154.5 | 179 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | V120 M1000 K1001 M1006 | V120-T1004 WeakPolarHBondContact O-CG2 3.38Å; M1000-T1004 WeakPolarHBondContact CE-O 3.27Å; K1001-T1004 WeakPolarHBondContact CB-OG1 3.06Å; K1001-T1004 PolarHBondContact O-N 3.43Å; K1001-T1004 VanDerWaalsContact O-O 3.08Å; K1001-T1004 PolarHBondContact O-OG1 3.43Å; T1004-M1006 PolarHBondContact O-N 3.07Å; T1004-M1006 VanDerWaalsContact O-N 3.11Å |
| 1005 | D | 74.9 | Confident | 85.1 | Confident | 127 Ų | 127 | 52.2 Ų | 52.2 | 68% | 0.679 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -79.9 | 21.1 | 173.9 | -54.9 | -49.3 | 0 | 0 | 0 | 113 | ||
| 1006 | M | 80.8 | Confident | 84.7 | Confident | 70 Ų | 70 | 50.8 Ų | 50.8 | 35% | 0.345 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 139.9 | -178.2 | -68.4 | -71.7 | -178 | 0 | 0 | 110.9 | T977 K1001 T1004 | T977-M1006 HydrophobicContact CG2-CE 3.67Å; T977-M1006 HydrophobicContact CG2-SD 3.61Å; K1001-M1006 WeakPolarHBondContact CB-O 3.26Å; K1001-M1006 PolarHBondContact N-O 2.91Å; T1004-M1006 PolarHBondContact O-N 3.07Å; T1004-M1006 VanDerWaalsContact O-N 3.11Å |
| 1007 | F | 86.2 | Confident | 84.5 | Confident | 40 Ų | 40 | 48.6 Ų | 48.6 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 147 | 171.5 | -71.2 | -107.3 | 0 | 0 | 0 | 109.3 | M975 A976 A978 L981 E998 E999 M1000 | M975-F1007 WeakPolarHBondContact CA-O 3.42Å; A976-F1007 PolarHBondContact N-O 3.03Å; A976-F1007 PolarHBondContact O-N 2.87Å; A978-F1007 HydrophobicContact CB-CE2 4Å; L981-F1007 HydrophobicContact CD1-CD1 4.4Å; L981-F1007 HydrophobicContact CD1-CD2 4.26Å; L981-F1007 HydrophobicContact CD1-CG 4.22Å; L981-F1007 HydrophobicContact CD2-CB 3.94Å; L981-F1007 HydrophobicContact CD2-CG 4.26Å; E998-F1007 HydrophobicContact CG-CD1 4.14Å; E999-F1007 CarbonylContact O-C 3.55Å; E999-F1007 VanDerWaalsContact O-CA 3.27Å; E999-F1007 WeakPolarHBondContact O-CA 3.36Å; M1000-F1007 HydrophobicContact CB-CD1 4.08Å; M1000-F1007 HydrophobicContact CB-CE1 3.74Å; M1000-F1007 HydrophobicContact CB-CZ 3.99Å; M1000-F1007 HydrophobicContact CG-CE1 4.11Å; M1000-F1007 HydrophobicContact CG-CE2 4.05Å; M1000-F1007 HydrophobicContact CG-CZ 3.84Å; M1000-F1007 HydrophobicContact SD-CE2 4.45Å; M1000-F1007 HydrophobicContact SD-CZ 4.06Å |
| 1008 | I | 87.3 | Confident | 84.4 | Confident | 33 Ų | 33 | 44 Ų | 44 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 110 | 170.1 | -60.8 | 174.3 | 0 | 0 | 0 | 106.4 | M975 E999 K1001 T1010 | M975-I1008 HydrophobicContact CG-CG1 4.44Å; E999-I1008 PolarHBondContact N-O 2.97Å; E999-I1008 PolarHBondContact O-N 2.94Å; K1001-I1008 HydrophobicContact CD-CD1 4.25Å; I1008-T1010 HydrophobicContact CG2-CG2 4.47Å |
| 1009 | I | 91.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 126 | 171.6 | -55.6 | 163.8 | 0 | 0 | 0 | 107.3 | E973 I974 L981 V984 Y985 V995 | E973-I1009 WeakPolarHBondContact CA-O 3.4Å; I974-I1009 HydrophobicContact CB-CB 4.34Å; I974-I1009 PolarHBondContact N-O 3.13Å; I974-I1009 PolarHBondContact O-N 3.18Å; L981-I1009 HydrophobicContact CD2-CD1 3.81Å; L981-I1009 HydrophobicContact CD2-CG1 4.33Å; V984-I1009 HydrophobicContact CB-CD1 4.37Å; V984-I1009 HydrophobicContact CG1-CD1 3.81Å; Y985-I1009 HydrophobicContact CE1-CD1 3.91Å; Y985-I1009 HydrophobicContact CE1-CG1 4.41Å; Y985-I1009 HydrophobicContact CE1-CG2 3.98Å; V995-I1009 HydrophobicContact CG1-CG2 3.92Å; V995-I1009 HydrophobicContact CG2-CG2 4.38Å |
| 1010 | T | 92 | Very high | 84 | Confident | 33 Ų | 33 | 38 Ų | 38 | 20% | 0.202 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127 | 166.3 | 67.6 | 0 | 0 | 0 | 0 | 109.1 | E973 L996 H997 I1008 | E973-T1010 HydrophobicContact CG-CG2 4.28Å; L996-T1010 PolarHBondContact N-O 3.1Å; H997-T1010 WeakPolarHBondContact CB-OG1 3.39Å; H997-T1010 PolarHBondContact N-O 3.09Å; H997-T1010 PolarHBondContact N-OG1 2.93Å; H997-T1010 PolarHBondContact O-N 2.68Å; H997-T1010 PolarHBondContact O-OG1 3.44Å; I1008-T1010 HydrophobicContact CG2-CG2 4.47Å |
| 1011 | A | 93.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 161.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T971 C972 L988 R994 | T971-A1011 CarbonylContact C-O 3.6Å; T971-A1011 WeakPolarHBondContact CA-O 3.41Å; C972-A1011 PolarHBondContact N-O 3.21Å; C972-A1011 PolarHBondContact O-N 3.02Å; L988-A1011 HydrophobicContact CD1-CB 4.19Å; L988-A1011 HydrophobicContact CD2-CB 3.98Å; R994-A1011 CarbonylContact O-C 3.55Å; R994-A1011 VanDerWaalsContact O-CA 3.28Å; R994-A1011 WeakPolarHBondContact O-CA 3.27Å; R994-A1011 WeakPolarHBondContact O-CB 3.41Å |
| 1012 | V | 93.4 | Very high | 84.7 | Confident | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139 | 164.2 | -67.4 | 0 | 0 | 0 | 0 | 109.9 | M969 Y970 G993 R994 L996 | M969-V1012 HydrophobicContact CE-CB 3.93Å; M969-V1012 HydrophobicContact CE-CG2 3.91Å; Y970-V1012 CarbonylContact O-C 3.59Å; Y970-V1012 WeakPolarHBondContact O-CA 3.37Å; G993-V1012 CarbonylContact C-O 3.53Å; G993-V1012 WeakPolarHBondContact CA-O 3.42Å; R994-V1012 HydrophobicContact CB-CG2 3.96Å; R994-V1012 PolarHBondContact N-O 3.26Å; R994-V1012 PolarHBondContact O-N 3.27Å; L996-V1012 HydrophobicContact CD1-CG1 3.88Å; L996-V1012 HydrophobicContact CD2-CG2 4.41Å; L996-V1012 HydrophobicContact CG-CG1 4.33Å |
| 1013 | L | 92.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 130.8 | -176.4 | -176 | 71.6 | 0 | 0 | 0 | 109.5 | Y970 C972 R991 V1015 F1021 L1037 | Y970-L1013 PolarHBondContact N-O 3.21Å; Y970-L1013 PolarHBondContact O-N 3.39Å; C972-L1013 HydrophobicContact CB-CB 4.48Å; R991-L1013 HydrophobicContact CB-CD1 3.88Å; R991-L1013 WeakPolarHBondContact O-CD1 3.35Å; L1013-V1015 PolarHBondContact O-N 3.4Å; L1013-F1021 HydrophobicContact CD1-CD2 4.48Å; L1013-F1021 HydrophobicContact CD1-CE2 4.28Å; L1013-F1021 HydrophobicContact CD2-CB 4.27Å; L1013-F1021 HydrophobicContact CD2-CD1 3.76Å; L1013-F1021 HydrophobicContact CD2-CD2 3.75Å; L1013-F1021 HydrophobicContact CD2-CE1 3.91Å; L1013-F1021 HydrophobicContact CD2-CE2 3.89Å; L1013-F1021 HydrophobicContact CD2-CG 3.67Å; L1013-F1021 HydrophobicContact CD2-CZ 3.96Å; L1013-L1037 HydrophobicContact CD2-CD2 4.15Å |
| 1014 | P | 91.1 | Very high | 86.8 | Confident | 11 Ų | 11 | 31 Ų | 31 | 7% | 0.071 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 133 | 174.3 | -22 | 33.1 | 0 | 0 | 0 | 111.5 | M969 A1016 E1017 S1018 | M969-P1014 HydrophobicContact CE-CG 4.01Å; M969-P1014 HydrophobicContact SD-CB 4.1Å; M969-P1014 HydrophobicContact SD-CG 3.98Å; P1014-A1016 PolarHBondContact O-N 2.9Å; P1014-A1016 VanDerWaalsContact O-N 3.09Å; P1014-E1017 PolarHBondContact O-N 3.27Å; P1014-S1018 PolarHBondContact O-N 2.73Å |
| 1015 | V | 88.6 | Confident | 87.7 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -57.6 | -26.9 | 175.6 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | I602 I675 A968 Y970 L1013 E1017 S1018 F1019 | I602-V1015 HydrophobicContact CG2-CG1 4.36Å; I675-V1015 HydrophobicContact CD1-CG1 4.28Å; I675-V1015 HydrophobicContact CG1-CG1 4.44Å; I675-V1015 HydrophobicContact CG2-CB 4.35Å; I675-V1015 HydrophobicContact CG2-CG1 4.03Å; A968-V1015 HydrophobicContact CB-CB 4.08Å; A968-V1015 HydrophobicContact CB-CG2 3.6Å; A968-V1015 VanDerWaalsContact O-CG2 3.32Å; A968-V1015 WeakPolarHBondContact O-CG2 3.18Å; A968-V1015 PolarHBondContact O-N 2.85Å; Y970-V1015 HydrophobicContact CD1-CG2 3.95Å; Y970-V1015 HydrophobicContact CD2-CB 4.4Å; Y970-V1015 HydrophobicContact CD2-CG2 3.74Å; Y970-V1015 HydrophobicContact CE1-CG2 3.85Å; Y970-V1015 HydrophobicContact CE2-CB 4.12Å; Y970-V1015 HydrophobicContact CE2-CG1 3.85Å; Y970-V1015 HydrophobicContact CE2-CG2 3.66Å; Y970-V1015 HydrophobicContact CG-CG2 3.88Å; L1013-V1015 PolarHBondContact O-N 3.4Å; V1015-E1017 PolarHBondContact O-N 2.96Å; V1015-S1018 PolarHBondContact O-N 2.92Å; V1015-S1018 PolarHBondContact O-OG 3.22Å; V1015-F1019 HydrophobicContact CG1-CE2 4.43Å; V1015-F1019 WeakPolarHBondContact O-CD2 3.48Å; V1015-F1019 VanDerWaalsContact O-CE2 3.24Å; V1015-F1019 WeakPolarHBondContact O-CE2 3.46Å |
| 1016 | A | 86.4 | Confident | 88.1 | Confident | 24 Ų | 24 | 29.8 Ų | 29.8 | 20% | 0.198 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -60.1 | -39 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I675 P1014 Y1075 | I675-A1016 HydrophobicContact CD1-CB 4.09Å; P1014-A1016 PolarHBondContact O-N 2.9Å; P1014-A1016 VanDerWaalsContact O-N 3.09Å; A1016-Y1075 HydrophobicContact CB-CD1 4.47Å; A1016-Y1075 HydrophobicContact CB-CE1 3.57Å; A1016-Y1075 WeakPolarHBondContact CB-OH 3.43Å |
| 1017 | E | 88.4 | Confident | 88.5 | Confident | 54 Ų | 54 | 35.2 Ų | 35.2 | 25% | 0.252 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -106.6 | 10.2 | -176.2 | -60.5 | -68.7 | 166.2 | 0 | 0 | 111.3 | R991 P1014 V1015 K1074 | R991-E1017 HydrophobicContact CB-CB 4.13Å; R991-E1017 WeakPolarHBondContact CD-O 3.36Å; R991-E1017 PolarHBondContact NH1-O 2.88Å; P1014-E1017 PolarHBondContact O-N 3.27Å; V1015-E1017 PolarHBondContact O-N 2.96Å; E1017-K1074 IonicContact OE1-NZ 2.66Å; E1017-K1074 PolarHBondContact OE1-NZ 2.79Å |
| 1018 | S | 87.8 | Confident | 88.6 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 4% | 0.035 | 19% | 0.186 | C | C | . | . | trans | -82.2 | -16.8 | 178.2 | 68.2 | 0 | 0 | 0 | 0 | 115.2 | Y970 P1014 V1015 G1020 F1021 | Y970-S1018 WeakPolarHBondContact CE2-OG 3.49Å; P1014-S1018 PolarHBondContact O-N 2.73Å; V1015-S1018 PolarHBondContact O-N 2.92Å; V1015-S1018 PolarHBondContact O-OG 3.22Å; S1018-G1020 PolarHBondContact O-N 2.9Å; S1018-F1021 WeakPolarHBondContact O-CB 3.43Å; S1018-F1021 PolarHBondContact O-N 2.9Å | ||
| 1019 | F | 86.6 | Confident | 88.5 | Confident | 40 Ų | 40 | 36 Ų | 36 | 18% | 0.175 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 123.9 | -176.6 | -69.5 | -85.1 | 0 | 0 | 0 | 112 | V603 E649 P673 I675 R991 V1015 F1021 | V603-F1019 HydrophobicContact CB-CZ 4.42Å; V603-F1019 HydrophobicContact CG1-CE1 3.74Å; V603-F1019 HydrophobicContact CG1-CZ 3.88Å; V603-F1019 HydrophobicContact CG2-CE1 4.11Å; V603-F1019 HydrophobicContact CG2-CZ 3.9Å; E649-F1019 HydrophobicContact CB-CD1 4.49Å; E649-F1019 HydrophobicContact CG-CD1 4.38Å; P673-F1019 HydrophobicContact CB-CD1 4.06Å; P673-F1019 HydrophobicContact CB-CD2 4.23Å; P673-F1019 HydrophobicContact CB-CE1 3.59Å; P673-F1019 HydrophobicContact CB-CE2 3.8Å; P673-F1019 HydrophobicContact CB-CG 4.35Å; P673-F1019 HydrophobicContact CB-CZ 3.45Å; P673-F1019 VanDerWaalsContact CB-CZ 3.45Å; P673-F1019 HydrophobicContact CG-CD1 3.67Å; P673-F1019 HydrophobicContact CG-CD2 4.46Å; P673-F1019 HydrophobicContact CG-CE1 3.61Å; P673-F1019 HydrophobicContact CG-CE2 4.43Å; P673-F1019 HydrophobicContact CG-CG 4.1Å; P673-F1019 HydrophobicContact CG-CZ 4.02Å; I675-F1019 HydrophobicContact CD1-CD2 4.46Å; I675-F1019 HydrophobicContact CD1-CE2 3.75Å; I675-F1019 HydrophobicContact CG1-CE2 4.19Å; R991-F1019 PolarHBondContact NH1-O 2.98Å; V1015-F1019 HydrophobicContact CG1-CE2 4.43Å; V1015-F1019 WeakPolarHBondContact O-CD2 3.48Å; V1015-F1019 VanDerWaalsContact O-CE2 3.24Å; V1015-F1019 WeakPolarHBondContact O-CE2 3.46Å; F1019-F1021 PolarHBondContact O-N 2.89Å |
| 1020 | G | 86 | Confident | 88.2 | Confident | 19 Ų | 19 | 41 Ų | 41 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 16 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E649 R991 S1018 E1024 | E649-G1020 VanDerWaalsContact CD-N 3.34Å; E649-G1020 PolarHBondContact OE1-N 2.88Å; E649-G1020 VanDerWaalsContact OE1-N 3.09Å; E649-G1020 PolarHBondContact OE2-N 2.99Å; R991-G1020 PolarHBondContact NH2-O 3.14Å; R991-G1020 VanDerWaalsContact NH2-O 3.13Å; S1018-G1020 PolarHBondContact O-N 2.9Å; G1020-E1024 WeakPolarHBondContact O-CB 3.48Å; G1020-E1024 PolarHBondContact O-N 3.37Å |
| 1021 | F | 88.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.7 | -42.4 | 176.6 | 171.2 | -99.4 | 0 | 0 | 0 | 111.7 | C972 I974 V987 L988 L1013 S1018 F1019 D1023 E1024 I1025 P1035 L1037 | C972-F1021 WeakPolarHBondContact SG-CE1 3.24Å; I974-F1021 HydrophobicContact CD1-CZ 4.25Å; V987-F1021 HydrophobicContact CG1-CD2 3.86Å; V987-F1021 HydrophobicContact CG1-CE2 3.83Å; L988-F1021 HydrophobicContact CD2-CE2 3.98Å; L988-F1021 HydrophobicContact CD2-CZ 3.67Å; L988-F1021 HydrophobicContact CG-CE2 4.45Å; L988-F1021 HydrophobicContact CG-CZ 4.29Å; L1013-F1021 HydrophobicContact CD1-CD2 4.48Å; L1013-F1021 HydrophobicContact CD1-CE2 4.28Å; L1013-F1021 HydrophobicContact CD2-CB 4.27Å; L1013-F1021 HydrophobicContact CD2-CD1 3.76Å; L1013-F1021 HydrophobicContact CD2-CD2 3.75Å; L1013-F1021 HydrophobicContact CD2-CE1 3.91Å; L1013-F1021 HydrophobicContact CD2-CE2 3.89Å; L1013-F1021 HydrophobicContact CD2-CG 3.67Å; L1013-F1021 HydrophobicContact CD2-CZ 3.96Å; S1018-F1021 WeakPolarHBondContact O-CB 3.43Å; S1018-F1021 PolarHBondContact O-N 2.9Å; F1019-F1021 PolarHBondContact O-N 2.89Å; F1021-D1023 VanDerWaalsContact C-N 3.33Å; F1021-D1023 PolarHBondContact O-N 2.66Å; F1021-E1024 PolarHBondContact O-N 3.08Å; F1021-I1025 HydrophobicContact CD1-CD1 4.38Å; F1021-I1025 HydrophobicContact CE1-CD1 3.62Å; F1021-I1025 HydrophobicContact CE1-CG1 4.45Å; F1021-I1025 HydrophobicContact CE2-CD1 3.8Å; F1021-I1025 HydrophobicContact CE2-CG1 4.28Å; F1021-I1025 HydrophobicContact CZ-CD1 3.29Å; F1021-I1025 HydrophobicContact CZ-CG1 4.2Å; F1021-I1025 PolarHBondContact O-N 2.69Å; F1021-P1035 HydrophobicContact CD1-CB 4.22Å; F1021-P1035 HydrophobicContact CD1-CG 4.03Å; F1021-P1035 HydrophobicContact CE1-CB 3.64Å; F1021-P1035 HydrophobicContact CE1-CG 3.88Å; F1021-L1037 HydrophobicContact CD1-CD2 4.4Å; F1021-L1037 HydrophobicContact CE1-CD2 4.44Å |
| 1022 | A | 84.8 | Confident | 86.7 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 30% | 0.298 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1026 P1035 | A1022-R1026 WeakPolarHBondContact O-CB 3.48Å; A1022-R1026 PolarHBondContact O-N 3.4Å; A1022-P1035 HydrophobicContact CB-CG 4.01Å |
| 1023 | D | 83.7 | Confident | 86.2 | Confident | 99 Ų | 99 | 45.7 Ų | 45.7 | 53% | 0.529 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70 | -36.6 | 175.9 | -72.8 | -29.6 | 0 | 0 | 0 | 112.9 | F1021 K1027 | F1021-D1023 VanDerWaalsContact C-N 3.33Å; F1021-D1023 PolarHBondContact O-N 2.66Å; D1023-K1027 WeakPolarHBondContact O-CB 3.35Å; D1023-K1027 PolarHBondContact O-N 3.01Å |
| 1024 | E | 89.6 | Confident | 85.5 | Confident | 34 Ų | 34 | 47.9 Ų | 47.9 | 16% | 0.159 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 174.8 | -174.6 | 167.2 | -166 | 0 | 0 | 111.7 | V987 K990 R991 G1020 F1021 R1028 | V987-E1024 HydrophobicContact CG1-CB 4.36Å; V987-E1024 HydrophobicContact CG1-CG 4.02Å; V987-E1024 HydrophobicContact CG2-CG 4.12Å; K990-E1024 IonicContact NZ-OE1 3.66Å; K990-E1024 PolarHBondContact NZ-OE1 2.84Å; K990-E1024 IonicContact NZ-OE2 3.8Å; K990-E1024 PolarHBondContact NZ-OE2 3.35Å; R991-E1024 IonicContact CZ-OE2 2.76Å; R991-E1024 IonicContact NE-OE2 3.27Å; R991-E1024 PolarHBondContact NE-OE2 2.7Å; R991-E1024 VanDerWaalsContact NE-OE2 3.09Å; R991-E1024 IonicContact NH2-OE2 3.14Å; R991-E1024 PolarHBondContact NH2-OE2 2.83Å; G1020-E1024 WeakPolarHBondContact O-CB 3.48Å; G1020-E1024 PolarHBondContact O-N 3.37Å; F1021-E1024 PolarHBondContact O-N 3.08Å; E1024-R1028 WeakPolarHBondContact O-CG 3.34Å; E1024-R1028 PolarHBondContact O-N 2.97Å; E1024-R1028 VanDerWaalsContact O-N 3.08Å; E1024-R1028 IonicContact OE1-CZ 2.84Å; E1024-R1028 IonicContact OE1-NE 3.35Å; E1024-R1028 IonicContact OE1-NH2 2.76Å; E1024-R1028 PolarHBondContact OE1-NH2 3.45Å |
| 1025 | I | 88.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -56.6 | 172.3 | -71.7 | -168.8 | 0 | 0 | 0 | 110.3 | I974 V984 V987 F1021 K1027 R1028 T1029 A1033 P1035 | I974-I1025 HydrophobicContact CD1-CD1 3.88Å; V984-I1025 HydrophobicContact CG1-CD1 4.24Å; V984-I1025 HydrophobicContact CG2-CG2 4.5Å; V987-I1025 HydrophobicContact CB-CG1 3.96Å; V987-I1025 HydrophobicContact CG1-CG1 3.81Å; V987-I1025 HydrophobicContact CG2-CG1 4.2Å; F1021-I1025 HydrophobicContact CD1-CD1 4.38Å; F1021-I1025 HydrophobicContact CE1-CD1 3.62Å; F1021-I1025 HydrophobicContact CE1-CG1 4.45Å; F1021-I1025 HydrophobicContact CE2-CD1 3.8Å; F1021-I1025 HydrophobicContact CE2-CG1 4.28Å; F1021-I1025 HydrophobicContact CZ-CD1 3.29Å; F1021-I1025 HydrophobicContact CZ-CG1 4.2Å; F1021-I1025 PolarHBondContact O-N 2.69Å; I1025-K1027 PolarHBondContact O-N 3.32Å; I1025-K1027 VanDerWaalsContact O-N 3.13Å; I1025-R1028 PolarHBondContact O-N 2.97Å; I1025-T1029 HydrophobicContact CG2-CG2 4.11Å; I1025-T1029 PolarHBondContact O-N 3.26Å; I1025-T1029 PolarHBondContact O-OG1 3.14Å; I1025-A1033 HydrophobicContact CG2-CB 3.91Å; I1025-P1035 HydrophobicContact CB-CG 4.46Å; I1025-P1035 HydrophobicContact CD1-CB 4.39Å; I1025-P1035 HydrophobicContact CD1-CG 4.26Å |
| 1026 | R | 83.9 | Confident | 85 | Confident | 124 Ų | 124 | 48.5 Ų | 48.5 | 47% | 0.468 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -53.4 | -38.4 | -177.7 | -176.5 | 176.5 | -73.3 | 176.4 | -4.4 | 111.9 | A1022 S1030 G1031 | A1022-R1026 WeakPolarHBondContact O-CB 3.48Å; A1022-R1026 PolarHBondContact O-N 3.4Å; R1026-S1030 CarbonylContact O-C 3.44Å; R1026-S1030 WeakPolarHBondContact O-CA 3.38Å; R1026-S1030 PolarHBondContact O-N 2.67Å; R1026-S1030 VanDerWaalsContact O-N 3.1Å; R1026-G1031 PolarHBondContact O-N 2.72Å |
| 1027 | K | 87.6 | Confident | 84.9 | Confident | 184 Ų | 184 | 49.5 Ų | 49.5 | 80% | 0.8 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -73.5 | -35.5 | 176.7 | -171.1 | 171.9 | -176.8 | 174.1 | 0 | 113.8 | D1023 I1025 | D1023-K1027 WeakPolarHBondContact O-CB 3.35Å; D1023-K1027 PolarHBondContact O-N 3.01Å; I1025-K1027 PolarHBondContact O-N 3.32Å; I1025-K1027 VanDerWaalsContact O-N 3.13Å |
| 1028 | R | 88.8 | Confident | 84.7 | Confident | 90 Ų | 90 | 50 Ų | 50 | 34% | 0.34 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -79.7 | -27.9 | 176.7 | -70.9 | -159.1 | -158.9 | 177.3 | 9.6 | 113.8 | R983 G986 V987 E1024 I1025 | R983-R1028 WeakPolarHBondContact CD-O 3.47Å; R983-R1028 PolarHBondContact NH1-O 2.86Å; G986-R1028 PolarHBondContact O-NH1 3.47Å; V987-R1028 HydrophobicContact CG2-CG 4.33Å; E1024-R1028 WeakPolarHBondContact O-CG 3.34Å; E1024-R1028 PolarHBondContact O-N 2.97Å; E1024-R1028 VanDerWaalsContact O-N 3.08Å; E1024-R1028 IonicContact OE1-CZ 2.84Å; E1024-R1028 IonicContact OE1-NE 3.35Å; E1024-R1028 IonicContact OE1-NH2 2.76Å; E1024-R1028 PolarHBondContact OE1-NH2 3.45Å; I1025-R1028 PolarHBondContact O-N 2.97Å |
| 1029 | T | 85.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 1.9 | 179.6 | 65.1 | 0 | 0 | 0 | 0 | 113.4 | V980 R983 V984 I1025 G1031 L1032 A1033 | V980-T1029 HydrophobicContact CB-CG2 3.89Å; V980-T1029 HydrophobicContact CG1-CG2 4.45Å; V980-T1029 HydrophobicContact CG2-CG2 4.12Å; R983-T1029 HydrophobicContact CB-CG2 4.48Å; V984-T1029 HydrophobicContact CG2-CG2 3.93Å; I1025-T1029 HydrophobicContact CG2-CG2 4.11Å; I1025-T1029 PolarHBondContact O-N 3.26Å; I1025-T1029 PolarHBondContact O-OG1 3.14Å; T1029-G1031 PolarHBondContact O-N 3.39Å; T1029-L1032 VanDerWaalsContact O-CB 3.29Å; T1029-L1032 WeakPolarHBondContact O-CB 3.35Å; T1029-L1032 WeakPolarHBondContact O-CG 3.23Å; T1029-L1032 PolarHBondContact O-N 3.4Å; T1029-A1033 HydrophobicContact CG2-CB 3.81Å; T1029-A1033 PolarHBondContact OG1-N 2.99Å; T1029-A1033 PolarHBondContact OG1-O 2.91Å |
| 1030 | S | 84 | Confident | 84.4 | Confident | 104 Ų | 104 | 53.1 Ų | 53.1 | 73% | 0.727 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 30.5 | -174.3 | -54.3 | 0 | 0 | 0 | 0 | 113.6 | R1026 | R1026-S1030 CarbonylContact O-C 3.44Å; R1026-S1030 WeakPolarHBondContact O-CA 3.38Å; R1026-S1030 PolarHBondContact O-N 2.67Å; R1026-S1030 VanDerWaalsContact O-N 3.1Å |
| 1031 | G | 75.5 | Confident | 84.4 | Confident | 45 Ų | 45 | 55 Ų | 55 | 46% | 0.464 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -6.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R1026 T1029 A1033 | R1026-G1031 PolarHBondContact O-N 2.72Å; T1029-G1031 PolarHBondContact O-N 3.39Å; G1031-A1033 PolarHBondContact O-N 3.09Å; G1031-A1033 VanDerWaalsContact O-N 3.14Å |
| 1032 | L | 78.9 | Confident | 84.4 | Confident | 86 Ų | 86 | 56 Ų | 56 | 45% | 0.45 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -73.1 | 0.4 | 179.4 | -60.7 | 174.7 | 0 | 0 | 0 | 114.5 | V980 T1029 | V980-L1032 HydrophobicContact CG1-CB 4.15Å; V980-L1032 HydrophobicContact CG1-CD1 4.12Å; V980-L1032 HydrophobicContact CG2-CB 4.28Å; T1029-L1032 VanDerWaalsContact O-CB 3.29Å; T1029-L1032 WeakPolarHBondContact O-CB 3.35Å; T1029-L1032 WeakPolarHBondContact O-CG 3.23Å; T1029-L1032 PolarHBondContact O-N 3.4Å |
| 1033 | A | 82.8 | Confident | 84.6 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 137.5 | 166 | 0 | 0 | 0 | 0 | 0 | 110 | I974 M975 A976 V980 V984 I1025 T1029 G1031 | I974-A1033 HydrophobicContact CG2-CB 4.15Å; M975-A1033 VanDerWaalsContact O-CA 3.23Å; M975-A1033 WeakPolarHBondContact O-CA 3.29Å; A976-A1033 HydrophobicContact CB-CB 3.79Å; V980-A1033 HydrophobicContact CG2-CB 4.27Å; V984-A1033 HydrophobicContact CG2-CB 3.86Å; I1025-A1033 HydrophobicContact CG2-CB 3.91Å; T1029-A1033 HydrophobicContact CG2-CB 3.81Å; T1029-A1033 PolarHBondContact OG1-N 2.99Å; T1029-A1033 PolarHBondContact OG1-O 2.91Å; G1031-A1033 PolarHBondContact O-N 3.09Å; G1031-A1033 VanDerWaalsContact O-N 3.14Å |
| 1034 | S | 77.3 | Confident | 84.8 | Confident | 46 Ų | 46 | 54.6 Ų | 54.6 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 116.5 | 174 | -165.3 | 0 | 0 | 0 | 0 | 109.6 | M975 | M975-S1034 PolarHBondContact O-N 3.28Å |
| 1035 | P | 86.3 | Confident | 84.6 | Confident | 14 Ų | 14 | 54 Ų | 54 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 154.2 | 174.1 | 32.8 | -33.3 | 0 | 0 | 0 | 111.2 | E973 I974 F1021 A1022 I1025 | E973-P1035 CarbonylContact O-C 3.51Å; E973-P1035 WeakPolarHBondContact O-CA 3.39Å; I974-P1035 HydrophobicContact CD1-CB 4.41Å; I974-P1035 HydrophobicContact CG1-CB 4Å; I974-P1035 HydrophobicContact CG2-CB 4.5Å; F1021-P1035 HydrophobicContact CD1-CB 4.22Å; F1021-P1035 HydrophobicContact CD1-CG 4.03Å; F1021-P1035 HydrophobicContact CE1-CB 3.64Å; F1021-P1035 HydrophobicContact CE1-CG 3.88Å; A1022-P1035 HydrophobicContact CB-CG 4.01Å; I1025-P1035 HydrophobicContact CB-CG 4.46Å; I1025-P1035 HydrophobicContact CD1-CB 4.39Å; I1025-P1035 HydrophobicContact CD1-CG 4.26Å |
| 1036 | Q | 82.9 | Confident | 84.2 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 122.2 | 173.5 | -51.7 | -175.6 | 25.5 | 0 | 0 | 107.3 | H27 V97 C972 E973 | H27-Q1036 PolarHBondContact CE1-NE2 2.88Å; V97-Q1036 HydrophobicContact CG2-CB 4.48Å; C972-Q1036 WeakPolarHBondContact CA-O 3.44Å; E973-Q1036 PolarHBondContact N-O 3.19Å; E973-Q1036 PolarHBondContact O-N 3.18Å |
| 1037 | L | 84.9 | Confident | 83.9 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 24% | 0.236 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.5 | -176.3 | -62.3 | 174.4 | 0 | 0 | 0 | 109.7 | Y970 C972 L1013 F1021 | Y970-L1037 HydrophobicContact CD2-CB 4.08Å; Y970-L1037 HydrophobicContact CD2-CD1 4.04Å; Y970-L1037 HydrophobicContact CD2-CD2 4.3Å; Y970-L1037 HydrophobicContact CD2-CG 4.38Å; Y970-L1037 HydrophobicContact CE2-CD1 4.4Å; Y970-L1037 HydrophobicContact CG-CB 4.11Å; Y970-L1037 HydrophobicContact CG-CD2 4.48Å; C972-L1037 HydrophobicContact CB-CD2 3.78Å; L1013-L1037 HydrophobicContact CD2-CD2 4.15Å; F1021-L1037 HydrophobicContact CD1-CD2 4.4Å; F1021-L1037 HydrophobicContact CE1-CD2 4.44Å |
| 1038 | V | 83.3 | Confident | 83.5 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 40% | 0.4 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 137.6 | 177.5 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | V97 Y970 T971 S1040 | V97-V1038 HydrophobicContact CG1-CG2 4.28Å; Y970-V1038 CarbonylContact C-O 3.52Å; Y970-V1038 VanDerWaalsContact CA-O 3.26Å; Y970-V1038 WeakPolarHBondContact CA-O 3.44Å; T971-V1038 PolarHBondContact N-O 3.18Å; T971-V1038 PolarHBondContact O-N 3.41Å; V1038-S1040 PolarHBondContact O-N 2.87Å |
| 1039 | F | 84.9 | Confident | 83 | Confident | 61 Ų | 61 | 44.5 Ų | 44.5 | 27% | 0.268 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 133.5 | 176.2 | -179.9 | -109.7 | 0 | 0 | 0 | 111.3 | I602 A968 Y970 W1042 | I602-F1039 HydrophobicContact CD1-CB 3.6Å; I602-F1039 HydrophobicContact CD1-CD1 4.04Å; I602-F1039 HydrophobicContact CD1-CD2 3.37Å; I602-F1039 HydrophobicContact CD1-CE2 4.06Å; I602-F1039 HydrophobicContact CD1-CG 3.35Å; A968-F1039 HydrophobicContact CB-CE2 4.05Å; Y970-F1039 HydrophobicContact CD1-CB 4.35Å; Y970-F1039 HydrophobicContact CE1-CB 4.34Å; F1039-W1042 AromaticContact CZ-NE1 3.79Å |
| 1040 | S | 84.3 | Confident | 82.5 | Confident | 49 Ų | 49 | 47.3 Ų | 47.3 | 34% | 0.343 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | -68.6 | -172.5 | -170.2 | 0 | 0 | 0 | 0 | 110.9 | M969 T971 V1038 | M969-S1040 WeakPolarHBondContact O-CB 3.37Å; M969-S1040 PolarHBondContact O-N 2.93Å; M969-S1040 VanDerWaalsContact O-N 3.12Å; T971-S1040 WeakPolarHBondContact OG1-CB 3.47Å; T971-S1040 PolarHBondContact OG1-OG 2.97Å; V1038-S1040 PolarHBondContact O-N 2.87Å |
| 1041 | H | 86.4 | Confident | 81.8 | Confident | 59 Ų | 59 | 47.7 Ų | 47.7 | 27% | 0.273 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | -176.7 | -176.1 | 59.6 | -78.1 | 0 | 0 | 0 | 111 | M969 | M969-H1041 PolarHBondContact N-O 3.27Å |
| 1042 | W | 87.8 | Confident | 81.3 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.9 | 171.7 | -59.7 | 91 | 0 | 0 | 0 | 110 | P676 R678 M880 M966 A967 A968 F1039 | P676-W1042 HydrophobicContact CB-CH2 4.27Å; P676-W1042 HydrophobicContact CG-CH2 4.15Å; P676-W1042 WeakPolarHBondContact O-CH2 3.45Å; P676-W1042 WeakPolarHBondContact O-CZ3 3.18Å; R678-W1042 HydrophobicContact CB-CE3 4.49Å; R678-W1042 HydrophobicContact CG-CD2 3.81Å; R678-W1042 HydrophobicContact CG-CE3 3.65Å; R678-W1042 HydrophobicContact CG-CG 4.45Å; R678-W1042 HydrophobicContact CG-CH2 4.16Å; R678-W1042 HydrophobicContact CG-CZ2 4.31Å; R678-W1042 HydrophobicContact CG-CZ3 3.83Å; M880-W1042 HydrophobicContact CE-CB 4.45Å; M880-W1042 HydrophobicContact CE-CG 4.22Å; M880-W1042 HydrophobicContact SD-CB 3.97Å; M880-W1042 HydrophobicContact SD-CD2 4.48Å; M880-W1042 HydrophobicContact SD-CG 3.79Å; M966-W1042 HydrophobicContact CB-CB 4.48Å; M966-W1042 HydrophobicContact CE-CB 3.76Å; M966-W1042 WeakPolarHBondContact CE-O 3.19Å; A967-W1042 WeakPolarHBondContact O-CA 3.48Å; A968-W1042 HydrophobicContact CB-CE3 3.97Å; A968-W1042 HydrophobicContact CB-CH2 4.02Å; A968-W1042 HydrophobicContact CB-CZ3 3.68Å; F1039-W1042 AromaticContact CZ-NE1 3.79Å |
| 1043 | E | 89.1 | Confident | 80.6 | Confident | 47 Ų | 47 | 47.6 Ų | 47.6 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 141.7 | 177.1 | -170.1 | 168.1 | -177.5 | 0 | 0 | 110.5 | M966 A967 M969 R994 | M966-E1043 CarbonylContact C-O 3.52Å; M966-E1043 VanDerWaalsContact CA-O 3.23Å; M966-E1043 WeakPolarHBondContact CA-O 3.43Å; A967-E1043 PolarHBondContact N-O 2.91Å; A967-E1043 PolarHBondContact O-N 3.12Å; M969-E1043 HydrophobicContact CG-CB 3.52Å; M969-E1043 HydrophobicContact SD-CB 4.27Å; R994-E1043 IonicContact CZ-OE1 3.51Å; R994-E1043 VanDerWaalsContact CZ-OE1 3.26Å; R994-E1043 IonicContact CZ-OE2 2.69Å; R994-E1043 IonicContact NH1-OE1 3.26Å; R994-E1043 PolarHBondContact NH1-OE1 3.19Å; R994-E1043 IonicContact NH1-OE2 3.62Å; R994-E1043 IonicContact NH2-OE1 3.4Å; R994-E1043 PolarHBondContact NH2-OE1 3.24Å; R994-E1043 IonicContact NH2-OE2 3.2Å; R994-E1043 PolarHBondContact NH2-OE2 3.36Å |
| 1044 | V | 88.6 | Confident | 79.6 | Confident | 60 Ų | 60 | 53.1 Ų | 53.1 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 125.4 | 179.5 | -170 | 0 | 0 | 0 | 0 | 109.3 | T680 V682 R964 M966 S1046 | T680-V1044 HydrophobicContact CG2-CG1 4.15Å; T680-V1044 HydrophobicContact CG2-CG2 4.2Å; V682-V1044 HydrophobicContact CG2-CG1 4.09Å; R964-V1044 HydrophobicContact CB-CG1 3.54Å; R964-V1044 HydrophobicContact CG-CG1 3.98Å; M966-V1044 HydrophobicContact CE-CG2 3.95Å; M966-V1044 HydrophobicContact CG-CG2 4.17Å; V1044-S1046 PolarHBondContact O-N 3.05Å |
| 1045 | I | 85.6 | Confident | 78.9 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | trans | -67.4 | 128.2 | 172.7 | -56.2 | -179.1 | 0 | 0 | 0 | 108.1 | L965 A967 S1047 A1072 Y1075 | L965-I1045 HydrophobicContact CB-CD1 4.28Å; L965-I1045 HydrophobicContact CD2-CD1 4.12Å; L965-I1045 WeakPolarHBondContact O-CB 3.47Å; L965-I1045 WeakPolarHBondContact O-CG1 3.28Å; L965-I1045 PolarHBondContact O-N 3.29Å; A967-I1045 HydrophobicContact CB-CD1 4.21Å; A967-I1045 HydrophobicContact CB-CG1 4.1Å; I1045-S1047 PolarHBondContact O-N 2.88Å; I1045-A1072 HydrophobicContact CG2-CB 4.25Å; I1045-Y1075 HydrophobicContact CD1-CD2 3.76Å; I1045-Y1075 HydrophobicContact CD1-CE2 4.03Å | ||
| 1046 | S | 78.5 | Confident | 77.5 | Confident | 117 Ų | 117 | 61.1 Ų | 61.1 | 82% | 0.818 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -66.1 | -37.6 | -177.2 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | R964 V1044 | R964-S1046 PolarHBondContact NE-O 2.82Å; V1044-S1046 PolarHBondContact O-N 3.05Å |
| 1047 | S | 78.8 | Confident | 76.3 | Confident | 40 Ų | 40 | 67.7 Ų | 67.7 | 28% | 0.28 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -64.8 | 139.3 | 177.7 | -164.6 | 0 | 0 | 0 | 0 | 112.4 | R964 I1045 N1070 | R964-S1047 WeakPolarHBondContact CD-O 3.46Å; I1045-S1047 PolarHBondContact O-N 2.88Å; S1047-N1070 PolarHBondContact OG-OD1 2.98Å |
| 1048 | D | 79 | Confident | 75 | Confident | 42 Ų | 42 | 68 Ų | 68 | 23% | 0.225 | 36% | 0.364 | C | S | . | . | trans | -80.4 | 124.2 | 173.6 | -162.8 | -49.3 | 0 | 0 | 0 | 110.1 | R964 Y1050 W1051 N1070 | R964-D1048 IonicContact CZ-OD2 2.69Å; R964-D1048 IonicContact NH1-OD1 2.75Å; R964-D1048 IonicContact NH1-OD2 2.88Å; R964-D1048 PolarHBondContact NH1-OD2 3.39Å; R964-D1048 VanDerWaalsContact NH2-CB 3.31Å; R964-D1048 IonicContact NH2-OD2 3.15Å; R964-D1048 PolarHBondContact NH2-OD2 3.18Å; D1048-Y1050 PolarHBondContact O-N 2.68Å; D1048-Y1050 PolarHBondContact OD1-N 3.49Å; D1048-W1051 HydrophobicContact CB-CB 3.7Å; D1048-W1051 PolarHBondContact O-N 2.92Å; D1048-N1070 PolarHBondContact O-ND2 3.13Å | ||
| 1049 | P | 78.3 | Confident | 73.9 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -16.1 | 179.5 | 26.1 | -32.8 | 0 | 0 | 0 | 114.2 | M874 A1072 M1076 | M874-P1049 HydrophobicContact SD-CG 4Å; P1049-A1072 HydrophobicContact CB-CB 4.02Å; P1049-M1076 HydrophobicContact CB-CE 4.03Å; P1049-M1076 HydrophobicContact CB-SD 4.19Å |
| 1050 | Y | 74.9 | Confident | 72.6 | Confident | 59 Ų | 59 | 74.4 Ų | 74.4 | 23% | 0.231 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 3.1 | -179.7 | -61.2 | -83 | 0 | 0 | 0 | 113.9 | M874 D1048 V1052 M1076 R1080 | M874-Y1050 HydrophobicContact CG-CE2 4.12Å; M874-Y1050 HydrophobicContact SD-CE2 4.07Å; D1048-Y1050 PolarHBondContact O-N 2.68Å; D1048-Y1050 PolarHBondContact OD1-N 3.49Å; Y1050-V1052 PolarHBondContact O-N 3.5Å; Y1050-M1076 HydrophobicContact CD1-CE 4.17Å; Y1050-M1076 HydrophobicContact CE1-CE 3.76Å; Y1050-M1076 HydrophobicContact CE1-SD 4.15Å; Y1050-M1076 HydrophobicContact CE2-CE 4.47Å; Y1050-M1076 HydrophobicContact CE2-SD 4.2Å; Y1050-R1080 PolarHBondContact OH-NH2 2.79Å |
| 1051 | W | 70.6 | Confident | 71.1 | Confident | 113 Ų | 113 | 79.9 Ų | 79.9 | 43% | 0.428 | 41% | 0.41 | S | S | . | . | trans | -74.9 | 129.2 | 175.9 | -177.6 | 85.8 | 0 | 0 | 0 | 111.6 | D1048 P1053 F1062 N1070 | D1048-W1051 HydrophobicContact CB-CB 3.7Å; D1048-W1051 PolarHBondContact O-N 2.92Å; W1051-P1053 HydrophobicContact CH2-CB 3.91Å; W1051-P1053 HydrophobicContact CH2-CG 4.38Å; W1051-P1053 HydrophobicContact CZ2-CB 4.11Å; W1051-F1062 HydrophobicContact CH2-CE2 4.49Å; W1051-N1070 PolarHBondContact O-ND2 2.99Å | ||
| 1052 | V | 64.4 | Low | 69.4 | Low | 95 Ų | 95 | 82.8 Ų | 82.8 | 58% | 0.576 | 42% | 0.422 | S | S | * | . | trans | -130 | 133 | 173.6 | -179.3 | 0 | 0 | 0 | 0 | 105.7 | Y1050 T1054 | Y1050-V1052 PolarHBondContact O-N 3.5Å; V1052-T1054 WeakPolarHBondContact O-CG2 3.38Å; V1052-T1054 PolarHBondContact O-N 3.17Å | ||
| 1053 | P | 64.3 | Low | 67.5 | Low | 34 Ų | 34 | 83.9 Ų | 83.9 | 22% | 0.221 | 44% | 0.438 | C | S | . | . | trans | -60.3 | 131.3 | 175.5 | 24.8 | -33.9 | 0 | 0 | 0 | 110.4 | W1051 E1058 Y1059 | W1051-P1053 HydrophobicContact CH2-CB 3.91Å; W1051-P1053 HydrophobicContact CH2-CG 4.38Å; W1051-P1053 HydrophobicContact CZ2-CB 4.11Å; P1053-E1058 WeakPolarHBondContact CA-OE2 3.35Å; P1053-E1058 HydrophobicContact CB-CB 4.23Å; P1053-Y1059 HydrophobicContact CB-CD2 3.9Å; P1053-Y1059 HydrophobicContact CB-CE2 4.08Å; P1053-Y1059 HydrophobicContact CG-CD2 3.88Å; P1053-Y1059 HydrophobicContact CG-CE2 3.54Å | ||
| 1054 | T | 61.3 | Low | 65.4 | Low | 118 Ų | 118 | 90.5 Ų | 90.5 | 72% | 0.724 | 47% | 0.469 | S | S | * | . | trans | -111.6 | -19.2 | -174.3 | 60.9 | 0 | 0 | 0 | 0 | 114.1 | V1052 E1058 | V1052-T1054 WeakPolarHBondContact O-CG2 3.38Å; V1052-T1054 PolarHBondContact O-N 3.17Å; T1054-E1058 PolarHBondContact N-OE2 3.2Å; T1054-E1058 PolarHBondContact OG1-OE1 3.48Å; T1054-E1058 PolarHBondContact OG1-OE2 2.68Å | ||
| 1055 | T | 64.1 | Low | 63.3 | Low | 60 Ų | 60 | 95 Ų | 95 | 37% | 0.368 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -117.4 | 154.5 | 178.2 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | E1057 E1058 Y1059 | T1055-E1057 PolarHBondContact O-N 3.5Å; T1055-E1058 WeakPolarHBondContact CB-OE1 3.49Å; T1055-E1058 VanDerWaalsContact CG2-OE1 3.31Å; T1055-E1058 WeakPolarHBondContact CG2-OE1 3.33Å; T1055-E1058 PolarHBondContact N-OE2 3.38Å; T1055-E1058 PolarHBondContact O-N 2.95Å; T1055-E1058 WeakPolarHBondContact OG1-CB 3.43Å; T1055-E1058 VanDerWaalsContact OG1-CG 3.22Å; T1055-E1058 WeakPolarHBondContact OG1-CG 3.39Å; T1055-E1058 PolarHBondContact OG1-N 3.2Å; T1055-E1058 VanDerWaalsContact OG1-N 3.1Å; T1055-E1058 PolarHBondContact OG1-OE1 2.74Å; T1055-Y1059 PolarHBondContact O-N 3.46Å |
| 1056 | E | 55.5 | Low | 61.3 | Low | 168 Ų | 168 | 95.4 Ų | 95.4 | 79% | 0.785 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.4 | -27.6 | 173.9 | -62.2 | -177.4 | 169.4 | 0 | 0 | 111.4 | Y1059 L1060 | E1056-Y1059 WeakPolarHBondContact O-CB 3.48Å; E1056-Y1059 PolarHBondContact O-N 3.11Å; E1056-L1060 WeakPolarHBondContact O-CB 3.39Å; E1056-L1060 WeakPolarHBondContact O-CG 3.4Å; E1056-L1060 PolarHBondContact O-N 2.99Å |
| 1057 | E | 57.3 | Low | 59.7 | Low | 148 Ų | 148 | 96.4 Ų | 96.4 | 69% | 0.692 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.6 | -40.8 | 174.8 | -63.2 | -177.7 | 173.1 | 0 | 0 | 112.2 | T1055 Y1059 L1060 H1061 | T1055-E1057 PolarHBondContact O-N 3.5Å; E1057-Y1059 VanDerWaalsContact C-N 3.33Å; E1057-Y1059 PolarHBondContact O-N 2.81Å; E1057-L1060 PolarHBondContact O-N 2.87Å; E1057-H1061 WeakPolarHBondContact O-CB 3.47Å; E1057-H1061 PolarHBondContact O-N 2.76Å |
| 1058 | E | 58 | Low | 58.7 | Low | 53 Ų | 53 | 98 Ų | 98 | 25% | 0.248 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -59 | -43.7 | 169.6 | -78 | 150.3 | -126.7 | 0 | 0 | 111.5 | P1053 T1054 T1055 H1061 F1062 | P1053-E1058 WeakPolarHBondContact CA-OE2 3.35Å; P1053-E1058 HydrophobicContact CB-CB 4.23Å; T1054-E1058 PolarHBondContact N-OE2 3.2Å; T1054-E1058 PolarHBondContact OG1-OE1 3.48Å; T1054-E1058 PolarHBondContact OG1-OE2 2.68Å; T1055-E1058 WeakPolarHBondContact CB-OE1 3.49Å; T1055-E1058 VanDerWaalsContact CG2-OE1 3.31Å; T1055-E1058 WeakPolarHBondContact CG2-OE1 3.33Å; T1055-E1058 PolarHBondContact N-OE2 3.38Å; T1055-E1058 PolarHBondContact O-N 2.95Å; T1055-E1058 WeakPolarHBondContact OG1-CB 3.43Å; T1055-E1058 VanDerWaalsContact OG1-CG 3.22Å; T1055-E1058 WeakPolarHBondContact OG1-CG 3.39Å; T1055-E1058 PolarHBondContact OG1-N 3.2Å; T1055-E1058 VanDerWaalsContact OG1-N 3.1Å; T1055-E1058 PolarHBondContact OG1-OE1 2.74Å; E1058-H1061 PolarHBondContact O-N 2.92Å; E1058-F1062 WeakPolarHBondContact O-CD2 3.47Å; E1058-F1062 PolarHBondContact O-N 2.76Å |
| 1059 | Y | 59.9 | Low | 58.1 | Low | 119 Ų | 119 | 101.6 Ų | 101.6 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 177 | -116.3 | -77.7 | 0 | 0 | 0 | 112 | P1053 T1055 E1056 E1057 G1063 A1066 | P1053-Y1059 HydrophobicContact CB-CD2 3.9Å; P1053-Y1059 HydrophobicContact CB-CE2 4.08Å; P1053-Y1059 HydrophobicContact CG-CD2 3.88Å; P1053-Y1059 HydrophobicContact CG-CE2 3.54Å; T1055-Y1059 PolarHBondContact O-N 3.46Å; E1056-Y1059 WeakPolarHBondContact O-CB 3.48Å; E1056-Y1059 PolarHBondContact O-N 3.11Å; E1057-Y1059 VanDerWaalsContact C-N 3.33Å; E1057-Y1059 PolarHBondContact O-N 2.81Å; Y1059-G1063 PolarHBondContact O-N 2.88Å; Y1059-A1066 HydrophobicContact CD1-CB 3.6Å; Y1059-A1066 HydrophobicContact CE1-CB 3.57Å; Y1059-A1066 HydrophobicContact CG-CB 4.48Å |
| 1060 | L | 57.6 | Low | 58 | Low | 142 Ų | 142 | 102.9 Ų | 102.9 | 74% | 0.743 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.8 | -38.3 | 177.9 | -84.2 | 160.7 | 0 | 0 | 0 | 112.8 | E1056 E1057 | E1056-L1060 WeakPolarHBondContact O-CB 3.39Å; E1056-L1060 WeakPolarHBondContact O-CG 3.4Å; E1056-L1060 PolarHBondContact O-N 2.99Å; E1057-L1060 PolarHBondContact O-N 2.87Å |
| 1061 | H | 53 | Low | 58.2 | Low | 164 Ų | 164 | 101.7 Ų | 101.7 | 76% | 0.759 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.9 | -30.3 | -179.1 | -100.2 | -64.3 | 0 | 0 | 0 | 114.1 | E1057 E1058 | E1057-H1061 WeakPolarHBondContact O-CB 3.47Å; E1057-H1061 PolarHBondContact O-N 2.76Å; E1058-H1061 PolarHBondContact O-N 2.92Å |
| 1062 | F | 51.8 | Low | 58.7 | Low | 120 Ų | 120 | 96.3 Ų | 96.3 | 53% | 0.526 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -88.5 | -16.4 | 178.9 | -84.7 | -93.5 | 0 | 0 | 0 | 114.3 | W1051 E1058 K1065 | W1051-F1062 HydrophobicContact CH2-CE2 4.49Å; E1058-F1062 WeakPolarHBondContact O-CD2 3.47Å; E1058-F1062 PolarHBondContact O-N 2.76Å; F1062-K1065 PolarHBondContact O-N 3.42Å |
| 1063 | G | 47.5 | Very low | 59.7 | Low | 41 Ų | 41 | 94 Ų | 94 | 42% | 0.423 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | 57.1 | -140.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y1059 K1065 A1066 | Y1059-G1063 PolarHBondContact O-N 2.88Å; G1063-K1065 PolarHBondContact O-N 2.84Å; G1063-A1066 WeakPolarHBondContact O-CB 3.45Å; G1063-A1066 PolarHBondContact O-N 2.79Å |
| 1064 | E | 44.9 | Very low | 60.7 | Low | 186 Ų | 186 | 97.3 Ų | 97.3 | 87% | 0.869 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -57.5 | -12 | -179 | -60.5 | -179.2 | 157.3 | 0 | 0 | 114.5 | ||
| 1065 | K | 43.3 | Very low | 61.9 | Low | 154 Ų | 154 | 92.5 Ų | 92.5 | 67% | 0.67 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -79.8 | -16.4 | 172.2 | -69 | -173.6 | 175.3 | -177.2 | 0 | 113.8 | F1062 G1063 D1067 S1068 | F1062-K1065 PolarHBondContact O-N 3.42Å; G1063-K1065 PolarHBondContact O-N 2.84Å; K1065-D1067 PolarHBondContact O-N 3.38Å; K1065-S1068 WeakPolarHBondContact O-CB 3.45Å; K1065-S1068 PolarHBondContact O-N 3.08Å; K1065-S1068 PolarHBondContact O-OG 3.19Å |
| 1066 | A | 44.5 | Very low | 63 | Low | 29 Ų | 29 | 89.8 Ų | 89.8 | 24% | 0.24 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -26.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1059 G1063 S1068 | Y1059-A1066 HydrophobicContact CD1-CB 3.6Å; Y1059-A1066 HydrophobicContact CE1-CB 3.57Å; Y1059-A1066 HydrophobicContact CG-CB 4.48Å; G1063-A1066 WeakPolarHBondContact O-CB 3.45Å; G1063-A1066 PolarHBondContact O-N 2.79Å; A1066-S1068 VanDerWaalsContact C-N 3.29Å |
| 1067 | D | 45.3 | Very low | 64.4 | Low | 138 Ų | 138 | 82.8 Ų | 82.8 | 74% | 0.738 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -11.8 | 172 | -65.7 | -33 | 0 | 0 | 0 | 113.1 | K1065 V1069 | K1065-D1067 PolarHBondContact O-N 3.38Å; D1067-V1069 PolarHBondContact O-N 2.96Å |
| 1068 | S | 58.2 | Low | 65.8 | Low | 75 Ų | 75 | 78.4 Ų | 78.4 | 52% | 0.524 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -85.6 | 114 | -180 | 74.4 | 0 | 0 | 0 | 0 | 111.1 | K1065 A1066 N1070 | K1065-S1068 WeakPolarHBondContact O-CB 3.45Å; K1065-S1068 PolarHBondContact O-N 3.08Å; K1065-S1068 PolarHBondContact O-OG 3.19Å; A1066-S1068 VanDerWaalsContact C-N 3.29Å; S1068-N1070 PolarHBondContact O-N 2.85Å |
| 1069 | V | 64.9 | Low | 67 | Low | 117 Ų | 117 | 76 Ų | 76 | 71% | 0.709 | 40% | 0.397 | S | S | * | . | trans | -57.8 | 122.6 | -177.6 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | D1067 Q1071 | D1067-V1069 PolarHBondContact O-N 2.96Å; V1069-Q1071 PolarHBondContact O-N 3.34Å | ||
| 1070 | N | 76.2 | Confident | 68.2 | Low | 28 Ų | 28 | 72 Ų | 72 | 15% | 0.15 | 38% | 0.381 | C | S | . | . | trans | -45.7 | 119 | 179.3 | -179.8 | -12.4 | 0 | 0 | 0 | 111.8 | S1047 D1048 W1051 S1068 A1072 L1073 K1074 | S1047-N1070 PolarHBondContact OG-OD1 2.98Å; D1048-N1070 PolarHBondContact O-ND2 3.13Å; W1051-N1070 PolarHBondContact O-ND2 2.99Å; S1068-N1070 PolarHBondContact O-N 2.85Å; N1070-A1072 PolarHBondContact O-N 3.32Å; N1070-A1072 PolarHBondContact OD1-N 3.02Å; N1070-L1073 HydrophobicContact CB-CB 4.08Å; N1070-L1073 WeakPolarHBondContact O-CB 3.35Å; N1070-L1073 PolarHBondContact O-N 2.97Å; N1070-K1074 PolarHBondContact O-N 3.37Å | ||
| 1071 | Q | 78.8 | Confident | 69.5 | Low | 33 Ų | 33 | 71.6 Ų | 71.6 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.5 | -32.6 | -170.5 | -166.2 | -138.2 | 43.3 | 0 | 0 | 112.9 | E992 V1069 L1073 K1074 Y1075 | E992-Q1071 PolarHBondContact OE1-NE2 3.25Å; E992-Q1071 PolarHBondContact OE2-NE2 2.94Å; V1069-Q1071 PolarHBondContact O-N 3.34Å; Q1071-L1073 VanDerWaalsContact C-N 3.35Å; Q1071-K1074 HydrophobicContact CG-CD 4.47Å; Q1071-K1074 WeakPolarHBondContact O-CB 3.18Å; Q1071-K1074 PolarHBondContact O-N 2.89Å; Q1071-Y1075 HydrophobicContact CG-CD2 4.34Å; Q1071-Y1075 HydrophobicContact CG-CE2 3.72Å; Q1071-Y1075 PolarHBondContact NE2-OH 2.99Å; Q1071-Y1075 VanDerWaalsContact O-CD2 3.27Å; Q1071-Y1075 WeakPolarHBondContact O-CD2 3.38Å; Q1071-Y1075 PolarHBondContact O-N 3.31Å; Q1071-Y1075 VanDerWaalsContact OE1-CE2 3.22Å |
| 1072 | A | 82.5 | Confident | 70.7 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1045 P1049 N1070 Y1075 M1076 | I1045-A1072 HydrophobicContact CG2-CB 4.25Å; P1049-A1072 HydrophobicContact CB-CB 4.02Å; N1070-A1072 PolarHBondContact O-N 3.32Å; N1070-A1072 PolarHBondContact OD1-N 3.02Å; A1072-Y1075 PolarHBondContact O-N 2.91Å; A1072-M1076 WeakPolarHBondContact O-CB 3.48Å; A1072-M1076 PolarHBondContact O-N 3.25Å |
| 1073 | L | 84.6 | Confident | 72.1 | Confident | 47 Ų | 47 | 63 Ų | 63 | 25% | 0.246 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 172.6 | 179.3 | 59.7 | 0 | 0 | 0 | 111.9 | N1070 Q1071 Y1075 M1076 N1077 | N1070-L1073 HydrophobicContact CB-CB 4.08Å; N1070-L1073 WeakPolarHBondContact O-CB 3.35Å; N1070-L1073 PolarHBondContact O-N 2.97Å; Q1071-L1073 VanDerWaalsContact C-N 3.35Å; L1073-Y1075 VanDerWaalsContact C-N 3.34Å; L1073-Y1075 PolarHBondContact O-N 3.41Å; L1073-M1076 HydrophobicContact CD1-CE 3.52Å; L1073-M1076 PolarHBondContact O-N 3.06Å; L1073-N1077 WeakPolarHBondContact CD1-ND2 3.45Å; L1073-N1077 VanDerWaalsContact O-CB 3.29Å; L1073-N1077 WeakPolarHBondContact O-CB 3.42Å; L1073-N1077 VanDerWaalsContact O-CG 3.27Å; L1073-N1077 PolarHBondContact O-N 3.14Å |
| 1074 | K | 85.3 | Confident | 73.5 | Confident | 103 Ų | 103 | 64.3 Ų | 64.3 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -56.2 | -45.7 | 172.5 | 174.3 | -162.5 | 170.1 | -157.2 | 0 | 111.2 | E1017 N1070 Q1071 A1078 | E1017-K1074 IonicContact OE1-NZ 2.66Å; E1017-K1074 PolarHBondContact OE1-NZ 2.79Å; N1070-K1074 PolarHBondContact O-N 3.37Å; Q1071-K1074 HydrophobicContact CG-CD 4.47Å; Q1071-K1074 WeakPolarHBondContact O-CB 3.18Å; Q1071-K1074 PolarHBondContact O-N 2.89Å; K1074-A1078 WeakPolarHBondContact O-CB 3.35Å; K1074-A1078 PolarHBondContact O-N 2.94Å; K1074-A1078 VanDerWaalsContact O-N 3.08Å |
| 1075 | Y | 86.9 | Confident | 75.2 | Confident | 17 Ų | 17 | 57.9 Ų | 57.9 | 7% | 0.067 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.7 | -47.2 | 176.6 | -65.1 | -43.7 | 0 | 0 | 0 | 112.6 | F677 A1016 I1045 Q1071 A1072 L1073 N1077 A1078 V1079 | F677-Y1075 HydrophobicContact CE1-CD1 4.45Å; F677-Y1075 HydrophobicContact CE1-CD2 4.1Å; F677-Y1075 HydrophobicContact CE1-CG 4.01Å; F677-Y1075 AromaticContact CZ-CD1 3.79Å; F677-Y1075 HydrophobicContact CZ-CD1 3.79Å; F677-Y1075 HydrophobicContact CZ-CD2 4.24Å; F677-Y1075 HydrophobicContact CZ-CE1 4.42Å; F677-Y1075 AromaticContact CZ-CG 3.71Å; F677-Y1075 HydrophobicContact CZ-CG 3.71Å; A1016-Y1075 HydrophobicContact CB-CD1 4.47Å; A1016-Y1075 HydrophobicContact CB-CE1 3.57Å; A1016-Y1075 WeakPolarHBondContact CB-OH 3.43Å; I1045-Y1075 HydrophobicContact CD1-CD2 3.76Å; I1045-Y1075 HydrophobicContact CD1-CE2 4.03Å; Q1071-Y1075 HydrophobicContact CG-CD2 4.34Å; Q1071-Y1075 HydrophobicContact CG-CE2 3.72Å; Q1071-Y1075 PolarHBondContact NE2-OH 2.99Å; Q1071-Y1075 VanDerWaalsContact O-CD2 3.27Å; Q1071-Y1075 WeakPolarHBondContact O-CD2 3.38Å; Q1071-Y1075 PolarHBondContact O-N 3.31Å; Q1071-Y1075 VanDerWaalsContact OE1-CE2 3.22Å; A1072-Y1075 PolarHBondContact O-N 2.91Å; L1073-Y1075 VanDerWaalsContact C-N 3.34Å; L1073-Y1075 PolarHBondContact O-N 3.41Å; Y1075-N1077 VanDerWaalsContact C-N 3.35Å; Y1075-N1077 PolarHBondContact O-N 3.06Å; Y1075-A1078 PolarHBondContact O-N 2.98Å; Y1075-A1078 VanDerWaalsContact O-N 3.17Å; Y1075-V1079 PolarHBondContact O-N 3.29Å |
| 1076 | M | 86.1 | Confident | 76.7 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.02 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.4 | -49.4 | 176.5 | 176.9 | 169.1 | 69.7 | 0 | 0 | 111.4 | M874 P1049 Y1050 A1072 L1073 A1078 V1079 R1080 | M874-M1076 HydrophobicContact CB-SD 4.3Å; P1049-M1076 HydrophobicContact CB-CE 4.03Å; P1049-M1076 HydrophobicContact CB-SD 4.19Å; Y1050-M1076 HydrophobicContact CD1-CE 4.17Å; Y1050-M1076 HydrophobicContact CE1-CE 3.76Å; Y1050-M1076 HydrophobicContact CE1-SD 4.15Å; Y1050-M1076 HydrophobicContact CE2-CE 4.47Å; Y1050-M1076 HydrophobicContact CE2-SD 4.2Å; A1072-M1076 WeakPolarHBondContact O-CB 3.48Å; A1072-M1076 PolarHBondContact O-N 3.25Å; L1073-M1076 HydrophobicContact CD1-CE 3.52Å; L1073-M1076 PolarHBondContact O-N 3.06Å; M1076-A1078 VanDerWaalsContact C-N 3.32Å; M1076-A1078 PolarHBondContact O-N 3.01Å; M1076-V1079 PolarHBondContact O-N 3.41Å; M1076-R1080 HydrophobicContact CG-CG 4.36Å; M1076-R1080 WeakPolarHBondContact O-CB 3.47Å; M1076-R1080 WeakPolarHBondContact O-CG 3.31Å; M1076-R1080 PolarHBondContact O-N 3.17Å |
| 1077 | N | 86.9 | Confident | 78.2 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 11% | 0.112 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.5 | -30.8 | -179.7 | -69.6 | -8.6 | 0 | 0 | 0 | 112.5 | L1073 Y1075 R1081 V1087 | L1073-N1077 WeakPolarHBondContact CD1-ND2 3.45Å; L1073-N1077 VanDerWaalsContact O-CB 3.29Å; L1073-N1077 WeakPolarHBondContact O-CB 3.42Å; L1073-N1077 VanDerWaalsContact O-CG 3.27Å; L1073-N1077 PolarHBondContact O-N 3.14Å; Y1075-N1077 VanDerWaalsContact C-N 3.35Å; Y1075-N1077 PolarHBondContact O-N 3.06Å; N1077-R1081 WeakPolarHBondContact O-CB 3.22Å; N1077-R1081 VanDerWaalsContact O-CG 3.23Å; N1077-R1081 WeakPolarHBondContact O-CG 3.44Å; N1077-R1081 PolarHBondContact O-N 3.42Å; N1077-V1087 HydrophobicContact CB-CG1 4.07Å |
| 1078 | A | 84.7 | Confident | 79.1 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1074 Y1075 M1076 R1082 | K1074-A1078 WeakPolarHBondContact O-CB 3.35Å; K1074-A1078 PolarHBondContact O-N 2.94Å; K1074-A1078 VanDerWaalsContact O-N 3.08Å; Y1075-A1078 PolarHBondContact O-N 2.98Å; Y1075-A1078 VanDerWaalsContact O-N 3.17Å; M1076-A1078 VanDerWaalsContact C-N 3.32Å; M1076-A1078 PolarHBondContact O-N 3.01Å; A1078-R1082 PolarHBondContact O-N 2.75Å |
| 1079 | V | 84.1 | Confident | 79.2 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.6 | -44.3 | 175.8 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | F677 C875 E877 Y1075 M1076 R1082 K1083 | F677-V1079 HydrophobicContact CD2-CG2 3.78Å; F677-V1079 HydrophobicContact CE2-CG2 4.01Å; C875-V1079 HydrophobicContact CB-CB 4.27Å; C875-V1079 HydrophobicContact CB-CG1 3.81Å; E877-V1079 HydrophobicContact CG-CG1 4.23Å; Y1075-V1079 PolarHBondContact O-N 3.29Å; M1076-V1079 PolarHBondContact O-N 3.41Å; V1079-R1082 WeakPolarHBondContact O-CB 3.4Å; V1079-R1082 PolarHBondContact O-N 3.32Å; V1079-K1083 HydrophobicContact CG1-CD 4.49Å; V1079-K1083 PolarHBondContact O-N 3.32Å; V1079-K1083 VanDerWaalsContact O-N 3.13Å |
| 1080 | R | 86.1 | Confident | 78.8 | Confident | 35 Ų | 35 | 62.1 Ų | 62.1 | 13% | 0.132 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 178.2 | -76.8 | -169.9 | 176.3 | -172.5 | 7.2 | 112.7 | M874 Y1050 M1076 R1082 K1083 G1084 L1085 F1086 V1087 | M874-R1080 PolarHBondContact O-NE 3.5Å; M874-R1080 PolarHBondContact O-NH2 3.36Å; Y1050-R1080 PolarHBondContact OH-NH2 2.79Å; M1076-R1080 HydrophobicContact CG-CG 4.36Å; M1076-R1080 WeakPolarHBondContact O-CB 3.47Å; M1076-R1080 WeakPolarHBondContact O-CG 3.31Å; M1076-R1080 PolarHBondContact O-N 3.17Å; R1080-R1082 PolarHBondContact O-N 3.39Å; R1080-K1083 CarbonylContact O-C 3.59Å; R1080-K1083 PolarHBondContact O-N 2.68Å; R1080-K1083 VanDerWaalsContact O-N 3.12Å; R1080-G1084 PolarHBondContact O-N 2.75Å; R1080-G1084 VanDerWaalsContact O-N 3.12Å; R1080-L1085 HydrophobicContact CB-CB 3.91Å; R1080-L1085 HydrophobicContact CG-CB 3.97Å; R1080-L1085 HydrophobicContact CG-CD1 4.27Å; R1080-L1085 PolarHBondContact O-N 3.15Å; R1080-F1086 WeakPolarHBondContact CD-O 3.43Å; R1080-F1086 PolarHBondContact NH1-O 3.31Å; R1080-F1086 VanDerWaalsContact NH1-O 3.14Å; R1080-V1087 HydrophobicContact CB-CG2 3.54Å; R1080-V1087 HydrophobicContact CG-CG2 4.49Å |
| 1081 | R | 84.9 | Confident | 77.7 | Confident | 133 Ų | 133 | 68.3 Ų | 68.3 | 50% | 0.502 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.9 | -38.8 | 176.3 | -75.9 | 175.9 | -175.6 | 137.4 | -5.2 | 112.3 | N1077 G1084 V1087 E1089 | N1077-R1081 WeakPolarHBondContact O-CB 3.22Å; N1077-R1081 VanDerWaalsContact O-CG 3.23Å; N1077-R1081 WeakPolarHBondContact O-CG 3.44Å; N1077-R1081 PolarHBondContact O-N 3.42Å; R1081-G1084 PolarHBondContact O-N 3.08Å; R1081-V1087 HydrophobicContact CG-CG2 4.14Å; R1081-E1089 IonicContact CZ-OE2 2.7Å; R1081-E1089 IonicContact NH2-OE1 3.18Å; R1081-E1089 PolarHBondContact NH2-OE1 3.27Å; R1081-E1089 IonicContact NH2-OE2 2.82Å; R1081-E1089 PolarHBondContact NH2-OE2 3.43Å |
| 1082 | R | 78 | Confident | 76.1 | Confident | 59 Ų | 59 | 70.4 Ų | 70.4 | 22% | 0.223 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64 | -45 | 176.9 | -168.6 | -172.5 | 77.5 | -115.9 | 4.3 | 111.9 | E877 A1078 V1079 R1080 G1084 | E877-R1082 IonicContact OE1-NH2 2.67Å; E877-R1082 PolarHBondContact OE1-NH2 3.22Å; A1078-R1082 PolarHBondContact O-N 2.75Å; V1079-R1082 WeakPolarHBondContact O-CB 3.4Å; V1079-R1082 PolarHBondContact O-N 3.32Å; R1080-R1082 PolarHBondContact O-N 3.39Å; R1082-G1084 PolarHBondContact O-N 3.49Å |
| 1083 | K | 79.7 | Confident | 74.7 | Confident | 43 Ų | 43 | 77.9 Ų | 77.9 | 19% | 0.187 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 2.9 | 179.5 | -68.4 | -175 | -178.8 | 168.5 | 0 | 114.4 | C875 E876 E877 V1079 R1080 L1085 | C875-K1083 WeakPolarHBondContact O-CD 3.48Å; C875-K1083 PolarHBondContact O-NZ 3.45Å; E876-K1083 HydrophobicContact CB-CD 4.15Å; E876-K1083 PolarHBondContact O-NZ 2.91Å; E877-K1083 VanDerWaalsContact OE1-CE 3.31Å; E877-K1083 WeakPolarHBondContact OE1-CE 3.49Å; E877-K1083 IonicContact OE1-NZ 2.66Å; E877-K1083 PolarHBondContact OE1-NZ 3.25Å; V1079-K1083 HydrophobicContact CG1-CD 4.49Å; V1079-K1083 PolarHBondContact O-N 3.32Å; V1079-K1083 VanDerWaalsContact O-N 3.13Å; R1080-K1083 CarbonylContact O-C 3.59Å; R1080-K1083 PolarHBondContact O-N 2.68Å; R1080-K1083 VanDerWaalsContact O-N 3.12Å; K1083-L1085 HydrophobicContact CB-CD1 3.89Å; K1083-L1085 HydrophobicContact CB-CG 3.83Å; K1083-L1085 HydrophobicContact CD-CD1 4.13Å; K1083-L1085 PolarHBondContact O-N 3.33Å |
| 1084 | G | 76.9 | Confident | 72.9 | Confident | 69 Ų | 69 | 80.4 Ų | 80.4 | 71% | 0.711 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 13.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R1080 R1081 R1082 | R1080-G1084 PolarHBondContact O-N 2.75Å; R1080-G1084 VanDerWaalsContact O-N 3.12Å; R1081-G1084 PolarHBondContact O-N 3.08Å; R1082-G1084 PolarHBondContact O-N 3.49Å |
| 1085 | L | 80.7 | Confident | 71.1 | Confident | 51 Ų | 51 | 78.6 Ų | 78.6 | 27% | 0.267 | 40% | 0.403 | S | S | . | . | trans | -75.2 | 149.7 | 179.9 | -64.2 | 170.8 | 0 | 0 | 0 | 111.3 | E876 R1080 K1083 | E876-L1085 HydrophobicContact CB-CD1 4.39Å; E876-L1085 HydrophobicContact CG-CD1 3.92Å; E876-L1085 HydrophobicContact CG-CD2 4.45Å; R1080-L1085 HydrophobicContact CB-CB 3.91Å; R1080-L1085 HydrophobicContact CG-CB 3.97Å; R1080-L1085 HydrophobicContact CG-CD1 4.27Å; R1080-L1085 PolarHBondContact O-N 3.15Å; K1083-L1085 HydrophobicContact CB-CD1 3.89Å; K1083-L1085 HydrophobicContact CB-CG 3.83Å; K1083-L1085 HydrophobicContact CD-CD1 4.13Å; K1083-L1085 PolarHBondContact O-N 3.33Å | ||
| 1086 | F | 75.3 | Confident | 69.4 | Low | 159 Ų | 159 | 85.6 Ų | 85.6 | 70% | 0.697 | 44% | 0.436 | S | S | * | . | trans | -64.5 | 133 | -177.2 | -175.6 | -104.8 | 0 | 0 | 0 | 113 | R1080 E1088 | R1080-F1086 WeakPolarHBondContact CD-O 3.43Å; R1080-F1086 PolarHBondContact NH1-O 3.31Å; R1080-F1086 VanDerWaalsContact NH1-O 3.14Å; F1086-E1088 HydrophobicContact CD1-CG 4.37Å; F1086-E1088 HydrophobicContact CE1-CG 3.86Å | ||
| 1087 | V | 76.4 | Confident | 67.8 | Low | 24 Ų | 24 | 90.8 Ų | 90.8 | 15% | 0.145 | 46% | 0.459 | C | S | . | . | trans | -122.7 | 128.3 | -179.6 | 173.5 | 0 | 0 | 0 | 0 | 109.8 | N1077 R1080 R1081 E1089 | N1077-V1087 HydrophobicContact CB-CG1 4.07Å; R1080-V1087 HydrophobicContact CB-CG2 3.54Å; R1080-V1087 HydrophobicContact CG-CG2 4.49Å; R1081-V1087 HydrophobicContact CG-CG2 4.14Å; V1087-E1089 HydrophobicContact CG1-CB 4.29Å; V1087-E1089 PolarHBondContact O-N 3.43Å | ||
| 1088 | E | 65 | Low | 66 | Low | 135 Ų | 135 | 96.5 Ų | 96.5 | 63% | 0.631 | 49% | 0.485 | S | S | * | . | trans | -79.8 | 61.4 | -179.9 | -63.2 | -167.6 | 168.5 | 0 | 0 | 112.4 | F1086 | F1086-E1088 HydrophobicContact CD1-CG 4.37Å; F1086-E1088 HydrophobicContact CE1-CG 3.86Å | ||
| 1089 | E | 60.3 | Low | 64.3 | Low | 112 Ų | 112 | 104.4 Ų | 104.4 | 52% | 0.523 | 50% | 0.503 | S | S | . | . | trans | -90.1 | 125.2 | 173.3 | -163.1 | 154.5 | -129.4 | 0 | 0 | 109.7 | R1081 V1087 I1091 | R1081-E1089 IonicContact CZ-OE2 2.7Å; R1081-E1089 IonicContact NH2-OE1 3.18Å; R1081-E1089 PolarHBondContact NH2-OE1 3.27Å; R1081-E1089 IonicContact NH2-OE2 2.82Å; R1081-E1089 PolarHBondContact NH2-OE2 3.43Å; V1087-E1089 HydrophobicContact CG1-CB 4.29Å; V1087-E1089 PolarHBondContact O-N 3.43Å; E1089-I1091 VanDerWaalsContact C-N 3.26Å; E1089-I1091 PolarHBondContact O-N 3.37Å | ||
| 1090 | K | 55 | Low | 62.6 | Low | 172 Ų | 172 | 108.9 Ų | 108.9 | 75% | 0.748 | 53% | 0.53 | S | S | * | . | trans | -72.4 | 80.5 | 176.7 | -71.6 | -178.9 | -177.4 | 170.9 | 0 | 110.3 | V1092 | K1090-V1092 PolarHBondContact O-N 3.16Å; K1090-V1092 VanDerWaalsContact O-N 3.08Å | ||
| 1091 | I | 54.3 | Low | 60.6 | Low | 159 Ų | 159 | 113.6 Ų | 113.6 | 82% | 0.815 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -56.1 | -27.3 | -179 | -65.3 | 165.3 | 0 | 0 | 0 | 112.2 | E1089 | E1089-I1091 VanDerWaalsContact C-N 3.26Å; E1089-I1091 PolarHBondContact O-N 3.37Å |
| 1092 | V | 45.5 | Very low | 58.8 | Low | 76 Ų | 76 | 110.3 Ų | 110.3 | 46% | 0.461 | 57% | 0.565 | S | S | . | * | trans | -143.4 | 118 | 171.2 | -165.4 | 0 | 0 | 0 | 0 | 110.3 | K1090 H1094 | K1090-V1092 PolarHBondContact O-N 3.16Å; K1090-V1092 VanDerWaalsContact O-N 3.08Å; V1092-H1094 VanDerWaalsContact C-N 3.28Å; V1092-H1094 PolarHBondContact O-N 3.1Å | ||
| 1093 | E | 52.2 | Low | 57.5 | Low | 158 Ų | 158 | 116 Ų | 116 | 74% | 0.738 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -23.7 | 175.8 | -63.2 | -169.7 | 115.5 | 0 | 0 | 113.6 | ||
| 1094 | H | 46.1 | Very low | 55.8 | Low | 99 Ų | 99 | 121.8 Ų | 121.8 | 46% | 0.458 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -140.5 | 69.6 | -175.3 | -66.1 | -50.3 | 0 | 0 | 0 | 113 | V1092 E1096 K1097 | V1092-H1094 VanDerWaalsContact C-N 3.28Å; V1092-H1094 PolarHBondContact O-N 3.1Å; H1094-E1096 PolarHBondContact O-N 3.45Å; H1094-E1096 VanDerWaalsContact O-N 3.16Å; H1094-K1097 HydrophobicContact CB-CB 4.11Å; H1094-K1097 HydrophobicContact CB-CD 3.71Å; H1094-K1097 HydrophobicContact CB-CG 3.89Å; H1094-K1097 PolarHBondContact CD2-NZ 2.92Å; H1094-K1097 PolarHBondContact NE2-NZ 3.38Å; H1094-K1097 PolarHBondContact O-N 3.37Å; H1094-K1097 VanDerWaalsContact O-N 3.1Å |
| 1095 | A | 48.9 | Very low | 53.9 | Low | 66 Ų | 66 | 131.3 Ų | 131.3 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -54.7 | -32 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K1097 Q1098 | A1095-K1097 VanDerWaalsContact C-N 3.31Å; A1095-K1097 PolarHBondContact O-N 3.41Å; A1095-Q1098 PolarHBondContact O-N 3.1Å |
| 1096 | E | 51.1 | Low | 52.5 | Low | 163 Ų | 163 | 135.4 Ų | 135.4 | 76% | 0.762 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -64.8 | -29.5 | 178.4 | -58.7 | -171.5 | 131.7 | 0 | 0 | 114 | H1094 Q1098 R1099 T1100 | H1094-E1096 PolarHBondContact O-N 3.45Å; H1094-E1096 VanDerWaalsContact O-N 3.16Å; E1096-Q1098 VanDerWaalsContact C-N 3.3Å; E1096-Q1098 PolarHBondContact O-N 3.32Å; E1096-R1099 PolarHBondContact O-N 3.27Å; E1096-T1100 PolarHBondContact O-N 3.09Å; E1096-T1100 PolarHBondContact O-OG1 3.21Å; E1096-T1100 VanDerWaalsContact O-OG1 3.05Å |
| 1097 | K | 51.5 | Low | 51.3 | Low | 114 Ų | 114 | 134.1 Ų | 134.1 | 50% | 0.496 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -69.3 | -28.9 | 179.3 | -72.1 | 179.8 | -177.6 | 169.6 | 0 | 111.8 | H1094 A1095 T1100 L1101 | H1094-K1097 HydrophobicContact CB-CB 4.11Å; H1094-K1097 HydrophobicContact CB-CD 3.71Å; H1094-K1097 HydrophobicContact CB-CG 3.89Å; H1094-K1097 PolarHBondContact CD2-NZ 2.92Å; H1094-K1097 PolarHBondContact NE2-NZ 3.38Å; H1094-K1097 PolarHBondContact O-N 3.37Å; H1094-K1097 VanDerWaalsContact O-N 3.1Å; A1095-K1097 VanDerWaalsContact C-N 3.31Å; A1095-K1097 PolarHBondContact O-N 3.41Å; K1097-T1100 WeakPolarHBondContact CA-OG1 3.48Å; K1097-T1100 PolarHBondContact O-N 3.05Å; K1097-T1100 PolarHBondContact O-OG1 3.35Å; K1097-L1101 WeakPolarHBondContact O-CB 3.43Å; K1097-L1101 WeakPolarHBondContact O-CD1 3.29Å; K1097-L1101 VanDerWaalsContact O-CG 3.29Å; K1097-L1101 WeakPolarHBondContact O-CG 3.46Å; K1097-L1101 PolarHBondContact O-N 3.47Å; K1097-L1101 VanDerWaalsContact O-N 3.09Å |
| 1098 | Q | 50.3 | Low | 50 | Low | 141 Ų | 141 | 140.2 Ų | 140.2 | 66% | 0.659 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -68.8 | -35.9 | 174.9 | -69.7 | -174.4 | -15.8 | 0 | 0 | 112.8 | A1095 E1096 | A1095-Q1098 PolarHBondContact O-N 3.1Å; E1096-Q1098 VanDerWaalsContact C-N 3.3Å; E1096-Q1098 PolarHBondContact O-N 3.32Å |
| 1099 | R | 48.8 | Very low | 49.1 | Very low | 221 Ų | 221 | 140.5 Ų | 140.5 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -74.2 | -23.3 | 176.8 | -86.5 | -175.1 | 168.5 | 179.3 | -2.3 | 114.1 | E1096 | E1096-R1099 PolarHBondContact O-N 3.27Å |
| 1100 | T | 47.2 | Very low | 48.4 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 60% | 0.595 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -91.4 | -31.7 | -179.9 | 43 | 0 | 0 | 0 | 0 | 113.1 | E1096 K1097 G1102 K1103 | E1096-T1100 PolarHBondContact O-N 3.09Å; E1096-T1100 PolarHBondContact O-OG1 3.21Å; E1096-T1100 VanDerWaalsContact O-OG1 3.05Å; K1097-T1100 WeakPolarHBondContact CA-OG1 3.48Å; K1097-T1100 PolarHBondContact O-N 3.05Å; K1097-T1100 PolarHBondContact O-OG1 3.35Å; T1100-G1102 PolarHBondContact O-N 3.1Å; T1100-K1103 PolarHBondContact O-N 3.37Å |
| 1101 | L | 45.3 | Very low | 47.9 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 70% | 0.702 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -61.4 | -30.5 | 172.7 | -77.1 | 166.4 | 0 | 0 | 0 | 113.3 | K1097 K1103 | K1097-L1101 WeakPolarHBondContact O-CB 3.43Å; K1097-L1101 WeakPolarHBondContact O-CD1 3.29Å; K1097-L1101 VanDerWaalsContact O-CG 3.29Å; K1097-L1101 WeakPolarHBondContact O-CG 3.46Å; K1097-L1101 PolarHBondContact O-N 3.47Å; K1097-L1101 VanDerWaalsContact O-N 3.09Å; L1101-K1103 VanDerWaalsContact C-N 3.27Å; L1101-K1103 PolarHBondContact O-N 2.91Å |
| 1102 | G | 47.1 | Very low | 47.5 | Very low | 65 Ų | 65 | 139 Ų | 139 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 18.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1100 | T1100-G1102 PolarHBondContact O-N 3.1Š|
| 1103 | K | 50.7 | Low | 47.6 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 77% | 0.774 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.3 | 6.1 | -179.4 | -81.7 | -164.2 | 172.6 | -172 | 0 | 116.1 | T1100 L1101 | T1100-K1103 PolarHBondContact O-N 3.37Å; L1101-K1103 VanDerWaalsContact C-N 3.27Å; L1101-K1103 PolarHBondContact O-N 2.91Å |
| 1104 | N | 44 | Very low | 47.2 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 88% | 0.877 | 71% | 0.712 | S | S | * | * | trans | -146 | 50.4 | 172.6 | -94.8 | -29.7 | 0 | 0 | 0 | 111.1 | ||||
| 1105 | K | 36 | Very low | 47.3 | Very low | 270 Ų | 270 | 146.6 Ų | 146.6 | 100% | 1.174 | 74% | 0.735 | S | S | * | * | trans | -156.2 | 0 | 166.3 | -119.6 | -175.8 | -178.5 | -176.3 | 0 | 110.3 |
Retrieved 1,105 of 1,105 residues in 533.5 ms
(Link to these results)