| 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 | 28.5 | Very low | 38.8 | Very low | 257 Ų | 257 | 136.7 Ų | 136.7 | 100% | 1.266 | 74% | 0.739 | S | S | * | * | 0 | 140.3 | 0 | -63.7 | 176.3 | -178.5 | 0 | 0 | 107.8 | |||||
| 2 | G | 33.9 | Very low | 40 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 71% | 0.71 | S | S | * | * | trans | -178.8 | 137.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3 | D | 31.7 | Very low | 41.2 | Very low | 142 Ų | 142 | 125.6 Ų | 125.6 | 76% | 0.759 | 68% | 0.676 | S | S | * | * | trans | -74.8 | 131.2 | -161.8 | -70.8 | -35.3 | 0 | 0 | 0 | 114.6 | K5 | D3-K5 HydrophobicContact CB-CG 4.23Å; D3-K5 PolarHBondContact O-N 3.2Å | ||
| 4 | N | 34.2 | Very low | 42 | Very low | 153 Ų | 153 | 120.3 Ų | 120.3 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | trans | -82.1 | 58.2 | 178.4 | -141.8 | -18.5 | 0 | 0 | 0 | 111.7 | R6 | N4-R6 VanDerWaalsContact C-N 3.33Å; N4-R6 PolarHBondContact O-N 3.18Å | ||
| 5 | K | 35.6 | Very low | 43 | Very low | 171 Ų | 171 | 115.1 Ų | 115.1 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | trans | -75 | 79.7 | 177.4 | -73.1 | -175.5 | -178.2 | 175 | 0 | 111.3 | D3 V7 | D3-K5 HydrophobicContact CB-CG 4.23Å; D3-K5 PolarHBondContact O-N 3.2Å; K5-V7 PolarHBondContact O-N 3.18Å | ||
| 6 | R | 35.9 | Very low | 43.9 | Very low | 190 Ų | 190 | 108.4 Ų | 108.4 | 72% | 0.717 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 126.7 | 167.4 | -74.7 | -171.8 | 175.6 | -151.5 | -4 | 110 | N4 E20 | N4-R6 VanDerWaalsContact C-N 3.33Å; N4-R6 PolarHBondContact O-N 3.18Å; R6-E20 IonicContact CZ-OE2 2.66Å; R6-E20 IonicContact NH1-OE2 2.7Å; R6-E20 PolarHBondContact NH1-OE2 3.16Å |
| 7 | V | 39.4 | Very low | 44.6 | Very low | 115 Ų | 115 | 103.8 Ų | 103.8 | 70% | 0.697 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 135.3 | -171.9 | 177.6 | 0 | 0 | 0 | 0 | 111.2 | K5 Y9 | K5-V7 PolarHBondContact O-N 3.18Å; V7-Y9 PolarHBondContact O-N 3.33Å |
| 8 | S | 37 | Very low | 45.4 | Very low | 110 Ų | 110 | 104.1 Ų | 104.1 | 77% | 0.769 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 116.7 | 166.6 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 9 | Y | 48.7 | Very low | 45.9 | Very low | 126 Ų | 126 | 104.2 Ų | 104.2 | 49% | 0.494 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 143.6 | 178.9 | -68.9 | -66.5 | 0 | 0 | 0 | 112.2 | V7 N13 L17 | V7-Y9 PolarHBondContact O-N 3.33Å; Y9-N13 HydrophobicContact CD1-CB 4.03Å; Y9-N13 HydrophobicContact CG-CB 4.3Å; Y9-L17 HydrophobicContact CD1-CD1 3.87Å; Y9-L17 HydrophobicContact CE1-CD1 3.53Å |
| 10 | S | 50.9 | Low | 46.2 | Very low | 57 Ų | 57 | 106 Ų | 106 | 40% | 0.399 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 149.9 | 166.3 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | M12 N13 A14 | S10-M12 PolarHBondContact O-N 3.06Å; S10-M12 VanDerWaalsContact O-N 3.15Å; S10-N13 WeakPolarHBondContact O-CA 3.41Å; S10-N13 WeakPolarHBondContact O-CB 3.4Å; S10-N13 PolarHBondContact O-N 2.99Å; S10-A14 PolarHBondContact O-N 3.15Å; S10-A14 VanDerWaalsContact O-N 3.16Å |
| 11 | P | 51.3 | Low | 45.9 | Very low | 111 Ų | 111 | 108.8 Ų | 108.8 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -51.3 | -36.2 | 174.3 | -28.9 | 36.3 | 0 | 0 | 0 | 114.3 | N13 A14 | P11-N13 VanDerWaalsContact C-N 3.32Å; P11-N13 PolarHBondContact O-N 3.48Å; P11-A14 WeakPolarHBondContact O-CB 3.25Å; P11-A14 PolarHBondContact O-N 2.8Å |
| 12 | M | 52.4 | Low | 46.7 | Very low | 80 Ų | 80 | 102.2 Ų | 102.2 | 39% | 0.394 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 173.5 | -73.6 | 161.9 | 121.1 | 0 | 0 | 112.7 | S10 A14 P131 D134 | S10-M12 PolarHBondContact O-N 3.06Å; S10-M12 VanDerWaalsContact O-N 3.15Å; M12-A14 VanDerWaalsContact C-N 3.32Å; M12-P131 HydrophobicContact CE-CB 3.86Å; M12-P131 HydrophobicContact CG-CB 4.29Å; M12-P131 HydrophobicContact CG-CG 4.25Å; M12-D134 WeakPolarHBondContact CE-OD2 3.19Å |
| 13 | N | 55.8 | Low | 47.3 | Very low | 49 Ų | 49 | 103.8 Ų | 103.8 | 26% | 0.262 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.7 | -25.3 | 178.2 | -75.8 | -9 | 0 | 0 | 0 | 111.9 | Y9 S10 P11 E15 L16 L17 | Y9-N13 HydrophobicContact CD1-CB 4.03Å; Y9-N13 HydrophobicContact CG-CB 4.3Å; S10-N13 WeakPolarHBondContact O-CA 3.41Å; S10-N13 WeakPolarHBondContact O-CB 3.4Å; S10-N13 PolarHBondContact O-N 2.99Å; P11-N13 VanDerWaalsContact C-N 3.32Å; P11-N13 PolarHBondContact O-N 3.48Å; N13-E15 VanDerWaalsContact C-N 3.32Å; N13-E15 PolarHBondContact O-N 2.87Å; N13-L16 PolarHBondContact O-N 2.88Å; N13-L16 VanDerWaalsContact O-N 3.15Å; N13-L17 HydrophobicContact CB-CD1 4.36Å; N13-L17 WeakPolarHBondContact O-CB 3.25Å; N13-L17 PolarHBondContact O-N 2.93Å |
| 14 | A | 52.9 | Low | 48 | Very low | 51 Ų | 51 | 104.2 Ų | 104.2 | 42% | 0.421 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.3 | -24.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S10 P11 M12 L16 | S10-A14 PolarHBondContact O-N 3.15Å; S10-A14 VanDerWaalsContact O-N 3.16Å; P11-A14 WeakPolarHBondContact O-CB 3.25Å; P11-A14 PolarHBondContact O-N 2.8Å; M12-A14 VanDerWaalsContact C-N 3.32Å; A14-L16 PolarHBondContact O-N 3.46Å |
| 15 | E | 57.3 | Low | 48.8 | Very low | 42 Ų | 42 | 104.7 Ų | 104.7 | 20% | 0.196 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -11.1 | 171.4 | -64.5 | -167.3 | 159.6 | 0 | 0 | 112.6 | N13 M112 K128 P131 | N13-E15 VanDerWaalsContact C-N 3.32Å; N13-E15 PolarHBondContact O-N 2.87Å; E15-M112 VanDerWaalsContact O-CG 3.27Å; E15-M112 WeakPolarHBondContact O-CG 2.88Å; E15-K128 IonicContact OE1-NZ 2.8Å; E15-K128 PolarHBondContact OE1-NZ 3.13Å; E15-P131 WeakPolarHBondContact OE2-CD 3.21Å |
| 16 | L | 57.1 | Low | 49.3 | Very low | 9 Ų | 9 | 101.9 Ų | 101.9 | 5% | 0.047 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -22 | 180 | -73.9 | 169.3 | 0 | 0 | 0 | 114.5 | N13 A14 I132 I137 W140 P150 | N13-L16 PolarHBondContact O-N 2.88Å; N13-L16 VanDerWaalsContact O-N 3.15Å; A14-L16 PolarHBondContact O-N 3.46Å; L16-I132 HydrophobicContact CD1-CB 4.22Å; L16-I132 HydrophobicContact CD1-CG2 3.96Å; L16-I132 HydrophobicContact CD2-CB 4.25Å; L16-I132 HydrophobicContact CD2-CG2 4.02Å; L16-I132 HydrophobicContact CG-CB 4.38Å; L16-I132 HydrophobicContact CG-CG2 3.79Å; L16-I137 HydrophobicContact CD1-CD1 4.06Å; L16-W140 HydrophobicContact CD1-CZ3 4.25Å; L16-P150 HydrophobicContact CB-CG 4.31Å; L16-P150 WeakPolarHBondContact O-CB 3.47Å; L16-P150 WeakPolarHBondContact O-CG 3.31Å |
| 17 | L | 56.1 | Low | 49.7 | Very low | 30 Ų | 30 | 97.5 Ų | 97.5 | 16% | 0.157 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -126.3 | 142.2 | -172.7 | -66.8 | 168.7 | 0 | 0 | 0 | 111.9 | Y9 N13 D19 W140 P150 | Y9-L17 HydrophobicContact CD1-CD1 3.87Å; Y9-L17 HydrophobicContact CE1-CD1 3.53Å; N13-L17 HydrophobicContact CB-CD1 4.36Å; N13-L17 WeakPolarHBondContact O-CB 3.25Å; N13-L17 PolarHBondContact O-N 2.93Å; L17-D19 PolarHBondContact O-N 2.77Å; L17-W140 HydrophobicContact CD1-CH2 4.11Å; L17-W140 HydrophobicContact CD1-CZ2 4.24Å; L17-W140 HydrophobicContact CD2-CH2 4.21Å; L17-W140 HydrophobicContact CG-CH2 4.24Å; L17-P150 HydrophobicContact CD2-CB 4.41Å; L17-P150 HydrophobicContact CD2-CG 3.88Å; L17-P150 HydrophobicContact CG-CG 4.49Å |
| 18 | R | 58.9 | Low | 50.2 | Low | 109 Ų | 109 | 97.8 Ų | 97.8 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | trans | -69.4 | 121.8 | 175.9 | -179.5 | -179.6 | -175.4 | 172 | 5.6 | 110 | E20 K82 D84 | R18-E20 PolarHBondContact O-N 2.75Å; R18-K82 PolarHBondContact NH1-O 3.35Å; R18-K82 VanDerWaalsContact NH1-O 3.12Å; R18-D84 VanDerWaalsContact CZ-O 3.32Å; R18-D84 PolarHBondContact NH1-O 3.11Å; R18-D84 VanDerWaalsContact NH1-O 3.09Å | ||
| 19 | D | 53.8 | Low | 50.8 | Low | 105 Ų | 105 | 95.1 Ų | 95.1 | 56% | 0.561 | 48% | 0.483 | S | S | * | . | trans | -68.6 | 116.3 | 162.9 | -141.6 | -7.1 | 0 | 0 | 0 | 107.7 | L17 K21 | L17-D19 PolarHBondContact O-N 2.77Å; D19-K21 PolarHBondContact O-N 3.14Å; D19-K21 VanDerWaalsContact O-N 3.08Å | ||
| 20 | E | 53.4 | Low | 50.7 | Low | 140 Ų | 140 | 93.5 Ų | 93.5 | 65% | 0.654 | 49% | 0.49 | S | S | * | . | trans | -77.8 | 14.7 | -171.3 | -63.4 | -167.7 | 148 | 0 | 0 | 114.1 | R6 R18 E22 | R6-E20 IonicContact CZ-OE2 2.66Å; R6-E20 IonicContact NH1-OE2 2.7Å; R6-E20 PolarHBondContact NH1-OE2 3.16Å; R18-E20 PolarHBondContact O-N 2.75Å; E20-E22 PolarHBondContact O-N 3.28Å | ||
| 21 | K | 39.9 | Very low | 50.7 | Low | 165 Ų | 165 | 93.2 Ų | 93.2 | 72% | 0.717 | 49% | 0.488 | S | S | * | . | trans | -92.1 | 93.2 | -172.3 | -66.4 | 173 | -175.9 | 158.7 | 0 | 112.5 | D19 | D19-K21 PolarHBondContact O-N 3.14Å; D19-K21 VanDerWaalsContact O-N 3.08Å | ||
| 22 | E | 44.6 | Very low | 51.1 | Low | 119 Ų | 119 | 97.5 Ų | 97.5 | 56% | 0.556 | 50% | 0.495 | S | S | * | . | trans | 177.8 | 98.6 | 136.6 | -105.4 | -179.4 | -158.8 | 0 | 0 | 111.4 | E20 L24 R25 | E20-E22 PolarHBondContact O-N 3.28Å; E22-L24 VanDerWaalsContact C-N 3.3Å; E22-R25 IonicContact OE2-NE 3.48Å; E22-R25 PolarHBondContact OE2-NE 2.85Å | ||
| 23 | P | 47.2 | Very low | 51.9 | Low | 106 Ų | 106 | 97.2 Ų | 97.2 | 69% | 0.688 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -72.3 | -21.8 | 172.5 | -19.3 | 33.2 | 0 | 0 | 0 | 113.8 | R25 E26 | P23-R25 PolarHBondContact O-N 2.76Å; P23-R25 VanDerWaalsContact O-N 3.11Å; P23-E26 PolarHBondContact O-N 2.82Å |
| 24 | L | 46 | Very low | 53.1 | Low | 150 Ų | 150 | 96.8 Ų | 96.8 | 79% | 0.785 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -68.7 | -11.2 | -166.5 | -75.5 | 162.5 | 0 | 0 | 0 | 115.2 | E22 | E22-L24 VanDerWaalsContact C-N 3.3Š|
| 25 | R | 49.9 | Very low | 54.7 | Low | 164 Ų | 164 | 94.8 Ų | 94.8 | 62% | 0.619 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -92.7 | -7.8 | 178.5 | -68.4 | -176.4 | -179.1 | -142.2 | -7.8 | 114.5 | E22 P23 T27 | E22-R25 IonicContact OE2-NE 3.48Å; E22-R25 PolarHBondContact OE2-NE 2.85Å; P23-R25 PolarHBondContact O-N 2.76Å; P23-R25 VanDerWaalsContact O-N 3.11Å; R25-T27 PolarHBondContact O-N 2.72Å |
| 26 | E | 45.8 | Very low | 56.3 | Low | 112 Ų | 112 | 93.9 Ų | 93.9 | 52% | 0.523 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -21.1 | -174.7 | -62.6 | -157.8 | 118.9 | 0 | 0 | 114 | P23 | P23-E26 PolarHBondContact O-N 2.82Š|
| 27 | T | 45.8 | Very low | 57.8 | Low | 98 Ų | 98 | 93.4 Ų | 93.4 | 60% | 0.601 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -50.1 | 178.9 | 45.4 | 0 | 0 | 0 | 0 | 112.9 | R25 L29 S30 | R25-T27 PolarHBondContact O-N 2.72Å; T27-L29 PolarHBondContact O-N 2.73Å; T27-S30 WeakPolarHBondContact O-CB 3.47Å; T27-S30 PolarHBondContact O-N 2.67Å; T27-S30 PolarHBondContact O-OG 2.92Å |
| 28 | D | 50.1 | Low | 59.4 | Low | 120 Ų | 120 | 93.9 Ų | 93.9 | 64% | 0.642 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -72.8 | -34.7 | -170.2 | -62.5 | -3.8 | 0 | 0 | 0 | 112.2 | S30 S31 | D28-S30 PolarHBondContact O-N 2.79Å; D28-S31 PolarHBondContact O-OG 3.06Å; D28-S31 VanDerWaalsContact O-OG 3.07Å |
| 29 | L | 48.1 | Very low | 60.7 | Low | 54 Ų | 54 | 92.3 Ų | 92.3 | 28% | 0.283 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -78.9 | 5.2 | 176.6 | -75.9 | 160.9 | 0 | 0 | 0 | 113.7 | T27 M34 M78 | T27-L29 PolarHBondContact O-N 2.73Å; L29-M34 HydrophobicContact CD2-CB 4.5Å; L29-M34 HydrophobicContact CD2-CE 3.82Å; L29-M34 HydrophobicContact CD2-CG 4.02Å; L29-M34 HydrophobicContact CD2-SD 3.78Å; L29-M34 HydrophobicContact CG-CE 4.4Å; L29-M78 HydrophobicContact CD2-SD 3.84Å |
| 30 | S | 46.8 | Very low | 62.1 | Low | 92 Ų | 92 | 96.1 Ų | 96.1 | 64% | 0.643 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -83.7 | -12 | 174.1 | 74.5 | 0 | 0 | 0 | 0 | 114 | T27 D28 | T27-S30 WeakPolarHBondContact O-CB 3.47Å; T27-S30 PolarHBondContact O-N 2.67Å; T27-S30 PolarHBondContact O-OG 2.92Å; D28-S30 PolarHBondContact O-N 2.79Å |
| 31 | S | 51.9 | Low | 63.5 | Low | 51 Ų | 51 | 99.1 Ų | 99.1 | 36% | 0.357 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -62.1 | 139.5 | 172.8 | 54 | 0 | 0 | 0 | 0 | 111.2 | D28 D33 | D28-S31 PolarHBondContact O-OG 3.06Å; D28-S31 VanDerWaalsContact O-OG 3.07Å; S31-D33 PolarHBondContact O-N 3.41Å; S31-D33 VanDerWaalsContact O-N 3.08Å |
| 32 | K | 58.5 | Low | 65.5 | Low | 202 Ų | 202 | 94.2 Ų | 94.2 | 88% | 0.878 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 2.6 | -176.9 | -71.4 | -178.7 | 178.5 | 174.7 | 0 | 113.4 | ||
| 33 | D | 70.7 | Confident | 67.6 | Low | 73 Ų | 73 | 89.1 Ų | 89.1 | 39% | 0.39 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -10.3 | -160.8 | -48.5 | -66.9 | 0 | 0 | 0 | 112.4 | S31 V35 I48 K49 | S31-D33 PolarHBondContact O-N 3.41Å; S31-D33 VanDerWaalsContact O-N 3.08Å; D33-V35 PolarHBondContact O-N 3.43Å; D33-I48 HydrophobicContact CB-CG2 4.4Å; D33-K49 HydrophobicContact CB-CB 4.24Å; D33-K49 WeakPolarHBondContact O-CB 3.46Å; D33-K49 PolarHBondContact O-N 3.14Å |
| 34 | M | 80.3 | Confident | 69.6 | Low | 40 Ų | 40 | 84.8 Ų | 84.8 | 20% | 0.197 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 121.3 | 171.9 | -72.8 | -95.7 | -165.2 | 0 | 0 | 111.1 | L29 I48 M78 | L29-M34 HydrophobicContact CD2-CB 4.5Å; L29-M34 HydrophobicContact CD2-CE 3.82Å; L29-M34 HydrophobicContact CD2-CG 4.02Å; L29-M34 HydrophobicContact CD2-SD 3.78Å; L29-M34 HydrophobicContact CG-CE 4.4Å; M34-I48 HydrophobicContact SD-CG1 4.37Å; M34-M78 HydrophobicContact CB-CB 4.31Å; M34-M78 HydrophobicContact CB-SD 4.15Å; M34-M78 WeakPolarHBondContact O-CB 3.48Å; M34-M78 PolarHBondContact O-N 3.47Å |
| 35 | V | 87.3 | Confident | 71.6 | Confident | 9 Ų | 9 | 78.1 Ų | 78.1 | 6% | 0.055 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 160.7 | -175.3 | -67.3 | 0 | 0 | 0 | 0 | 110.9 | D33 A47 K49 V59 V75 Q76 | D33-V35 PolarHBondContact O-N 3.43Å; V35-A47 HydrophobicContact CG2-CB 4.26Å; V35-A47 WeakPolarHBondContact CG2-O 3.48Å; V35-A47 PolarHBondContact N-O 3.43Å; V35-A47 PolarHBondContact O-N 3.22Å; V35-A47 VanDerWaalsContact O-O 3.07Å; V35-K49 HydrophobicContact CG2-CB 4.47Å; V35-V59 HydrophobicContact CG2-CG1 4.23Å; V35-V75 HydrophobicContact CB-CG1 3.64Å; V35-V75 HydrophobicContact CG1-CG1 3.77Å; V35-V75 HydrophobicContact CG2-CG1 3.67Å; V35-Q76 CarbonylContact C-O 3.5Å; V35-Q76 WeakPolarHBondContact CA-O 3.04Å |
| 36 | W | 89.5 | Confident | 73.4 | Confident | 23 Ų | 23 | 71.3 Ų | 71.3 | 9% | 0.087 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 140.4 | 167.5 | -62.6 | 113.2 | 0 | 0 | 0 | 109.6 | F44 V45 A46 Q76 M78 A98 S99 N102 | W36-F44 HydrophobicContact CE3-CB 4.45Å; W36-V45 WeakPolarHBondContact CA-O 3.27Å; W36-A46 HydrophobicContact CZ3-CB 4.24Å; W36-Q76 HydrophobicContact CB-CB 4.25Å; W36-Q76 PolarHBondContact N-O 3.01Å; W36-Q76 PolarHBondContact O-N 2.7Å; W36-M78 HydrophobicContact CD2-CE 3.97Å; W36-M78 HydrophobicContact CE3-CE 4.19Å; W36-M78 HydrophobicContact CH2-CE 4.14Å; W36-M78 HydrophobicContact CZ2-CE 3.95Å; W36-M78 HydrophobicContact CZ2-CG 4.24Å; W36-M78 HydrophobicContact CZ3-CE 4.27Å; W36-A98 HydrophobicContact CB-CB 3.46Å; W36-A98 VanDerWaalsContact CB-CB 3.46Å; W36-A98 HydrophobicContact CD2-CB 3.83Å; W36-A98 HydrophobicContact CE3-CB 4.5Å; W36-A98 HydrophobicContact CG-CB 3.33Å; W36-S99 PolarHBondContact NE1-OG 2.93Å; W36-N102 HydrophobicContact CH2-CB 3.87Å; W36-N102 WeakPolarHBondContact CH2-OD1 3.21Å; W36-N102 HydrophobicContact CZ2-CB 3.73Å |
| 37 | V | 89.6 | Confident | 75.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 154.2 | 172.2 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | F44 V45 A47 V59 L61 F70 V75 | V37-F44 WeakPolarHBondContact O-CA 3.31Å; V37-V45 HydrophobicContact CG2-CG2 4.02Å; V37-V45 PolarHBondContact N-O 2.59Å; V37-V45 PolarHBondContact O-N 2.87Å; V37-A47 HydrophobicContact CG1-CB 4.4Å; V37-A47 HydrophobicContact CG2-CB 3.82Å; V37-V59 HydrophobicContact CG1-CG1 4.29Å; V37-V59 HydrophobicContact CG1-CG2 4.08Å; V37-V59 HydrophobicContact CG2-CG2 4.35Å; V37-L61 HydrophobicContact CG2-CD2 3.56Å; V37-F70 HydrophobicContact CB-CD2 3.97Å; V37-F70 HydrophobicContact CB-CE1 4.47Å; V37-F70 HydrophobicContact CB-CE2 3.71Å; V37-F70 HydrophobicContact CB-CG 4.45Å; V37-F70 HydrophobicContact CB-CZ 3.98Å; V37-F70 HydrophobicContact CG1-CD2 3.91Å; V37-F70 HydrophobicContact CG1-CE2 4.1Å; V37-F70 HydrophobicContact CG1-CG 4.44Å; V37-F70 HydrophobicContact CG2-CD2 4.33Å; V37-F70 HydrophobicContact CG2-CE2 3.66Å; V37-F70 HydrophobicContact CG2-CZ 3.98Å; V37-V75 HydrophobicContact CG1-CG1 4.36Å; V37-V75 HydrophobicContact CG1-CG2 4.14Å |
| 38 | P | 88.6 | Confident | 77.4 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 26% | 0.26 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 147.5 | -177.4 | -22.9 | 34.2 | 0 | 0 | 0 | 113.6 | A43 F44 Y74 | P38-A43 CarbonylContact C-O 3.54Å; P38-A43 WeakPolarHBondContact CA-O 3.47Å; P38-F44 HydrophobicContact CG-CE1 4.18Å; P38-Y74 HydrophobicContact CG-CD1 4Å; P38-Y74 HydrophobicContact CG-CG 4.39Å |
| 39 | H | 86.5 | Confident | 79 | Confident | 76 Ų | 76 | 61.6 Ų | 61.6 | 35% | 0.352 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 126.4 | 177.4 | -174.2 | -111.3 | 0 | 0 | 0 | 112.1 | R41 E42 A43 V45 | H39-R41 VanDerWaalsContact C-N 3.26Å; H39-R41 PolarHBondContact O-N 3.48Å; H39-E42 HydrophobicContact CB-CB 4.25Å; H39-E42 WeakPolarHBondContact ND1-CB 3.29Å; H39-E42 PolarHBondContact ND1-N 3.13Å; H39-E42 PolarHBondContact O-N 2.79Å; H39-A43 PolarHBondContact N-O 3.33Å; H39-A43 CarbonylContact O-C 3.49Å; H39-A43 WeakPolarHBondContact O-CA 3.04Å; H39-A43 PolarHBondContact O-N 2.83Å; H39-V45 HydrophobicContact CB-CB 4.36Å; H39-V45 HydrophobicContact CB-CG1 3.68Å; H39-V45 HydrophobicContact CB-CG2 3.92Å |
| 40 | E | 83.5 | Confident | 80.8 | Confident | 184 Ų | 184 | 62.6 Ų | 62.6 | 86% | 0.86 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -38.1 | -171.8 | -62.1 | 173.7 | 169.4 | 0 | 0 | 114.6 | P698 | E40-P698 WeakPolarHBondContact O-CG 3.45Š|
| 41 | R | 83.7 | Confident | 82.5 | Confident | 204 Ų | 204 | 63.5 Ų | 63.5 | 77% | 0.77 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -16.7 | -175.4 | -62.4 | -175.9 | 180 | -173.1 | -1.1 | 115.3 | H39 | H39-R41 VanDerWaalsContact C-N 3.26Å; H39-R41 PolarHBondContact O-N 3.48Å |
| 42 | E | 82.2 | Confident | 83.8 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 29% | 0.285 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -5.6 | -174.1 | -77.7 | -88.7 | 109 | 0 | 0 | 112.2 | H39 F44 V45 K105 | H39-E42 HydrophobicContact CB-CB 4.25Å; H39-E42 WeakPolarHBondContact ND1-CB 3.29Å; H39-E42 PolarHBondContact ND1-N 3.13Å; H39-E42 PolarHBondContact O-N 2.79Å; E42-F44 PolarHBondContact O-N 2.74Å; E42-V45 HydrophobicContact CB-CG1 3.7Å; E42-V45 HydrophobicContact CG-CG1 3.91Å; E42-K105 IonicContact OE1-NZ 2.78Å; E42-K105 PolarHBondContact OE1-NZ 2.75Å; E42-K105 IonicContact OE2-NZ 3.77Å; E42-K105 PolarHBondContact OE2-NZ 3.47Å |
| 43 | A | 86.7 | Confident | 84.7 | Confident | 12 Ų | 12 | 60.8 Ų | 60.8 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 58 | -51 | -156.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P38 H39 L101 P698 L701 | P38-A43 CarbonylContact C-O 3.54Å; P38-A43 WeakPolarHBondContact CA-O 3.47Å; H39-A43 PolarHBondContact N-O 3.33Å; H39-A43 CarbonylContact O-C 3.49Å; H39-A43 WeakPolarHBondContact O-CA 3.04Å; H39-A43 PolarHBondContact O-N 2.83Å; A43-L101 HydrophobicContact CB-CD2 3.71Å; A43-P698 HydrophobicContact CB-CG 4.32Å; A43-L701 HydrophobicContact CB-CB 4.38Å; A43-L701 HydrophobicContact CB-CD2 3.91Å |
| 44 | F | 90.2 | Very high | 85 | Confident | 16 Ų | 16 | 60.4 Ų | 60.4 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 142.8 | 177.3 | -68.6 | -79.9 | 0 | 0 | 0 | 112.1 | W36 V37 P38 E42 E97 A98 L101 L701 | W36-F44 HydrophobicContact CE3-CB 4.45Å; V37-F44 WeakPolarHBondContact O-CA 3.31Å; P38-F44 HydrophobicContact CG-CE1 4.18Å; E42-F44 PolarHBondContact O-N 2.74Å; F44-E97 HydrophobicContact CE2-CB 3.76Å; F44-E97 HydrophobicContact CZ-CB 4.08Å; F44-A98 HydrophobicContact CB-CB 3.7Å; F44-A98 HydrophobicContact CD1-CB 3.83Å; F44-A98 HydrophobicContact CD2-CB 3.77Å; F44-A98 HydrophobicContact CE1-CB 4.39Å; F44-A98 HydrophobicContact CE2-CB 4.32Å; F44-A98 HydrophobicContact CG-CB 3.49Å; F44-A98 VanDerWaalsContact CG-CB 3.49Å; F44-L101 HydrophobicContact CD2-CD2 4.3Å; F44-L701 HydrophobicContact CD2-CD2 4.38Å; F44-L701 HydrophobicContact CE2-CD1 4.34Å; F44-L701 HydrophobicContact CE2-CD2 3.69Å; F44-L701 HydrophobicContact CZ-CD2 4.49Å |
| 45 | V | 88.8 | Confident | 84.9 | Confident | 10 Ų | 10 | 63.7 Ų | 63.7 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 154.8 | 176.8 | -65.9 | 0 | 0 | 0 | 0 | 111.8 | W36 V37 H39 E42 L61 | W36-V45 WeakPolarHBondContact CA-O 3.27Å; V37-V45 HydrophobicContact CG2-CG2 4.02Å; V37-V45 PolarHBondContact N-O 2.59Å; V37-V45 PolarHBondContact O-N 2.87Å; H39-V45 HydrophobicContact CB-CB 4.36Å; H39-V45 HydrophobicContact CB-CG1 3.68Å; H39-V45 HydrophobicContact CB-CG2 3.92Å; E42-V45 HydrophobicContact CB-CG1 3.7Å; E42-V45 HydrophobicContact CG-CG1 3.91Å; V45-L61 HydrophobicContact CG2-CD2 3.83Å |
| 46 | A | 88 | Confident | 84.7 | Confident | 21 Ų | 21 | 66.6 Ų | 66.6 | 17% | 0.174 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 135.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | W36 V62 M78 | W36-A46 HydrophobicContact CZ3-CB 4.24Å; A46-V62 HydrophobicContact CB-CB 4.06Å; A46-V62 HydrophobicContact CB-CG2 3.94Å; A46-V62 PolarHBondContact O-N 2.77Å; A46-M78 HydrophobicContact CB-CE 3.64Å |
| 47 | A | 87.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 153.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V35 V37 V59 Q60 L61 | V35-A47 HydrophobicContact CG2-CB 4.26Å; V35-A47 WeakPolarHBondContact CG2-O 3.48Å; V35-A47 PolarHBondContact N-O 3.43Å; V35-A47 PolarHBondContact O-N 3.22Å; V35-A47 VanDerWaalsContact O-O 3.07Å; V37-A47 HydrophobicContact CG1-CB 4.4Å; V37-A47 HydrophobicContact CG2-CB 3.82Å; A47-V59 HydrophobicContact CB-CB 3.95Å; A47-V59 HydrophobicContact CB-CG2 3.9Å; A47-Q60 CarbonylContact C-O 3.6Å; A47-Q60 WeakPolarHBondContact CA-O 3.39Å; A47-Q60 WeakPolarHBondContact CB-O 3.18Å; A47-L61 HydrophobicContact CB-CD2 4.01Å |
| 48 | I | 86.5 | Confident | 84.3 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 33% | 0.333 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.6 | 173.6 | -61.2 | 166.2 | 0 | 0 | 0 | 107.9 | D33 M34 L50 V59 Q60 V62 | D33-I48 HydrophobicContact CB-CG2 4.4Å; M34-I48 HydrophobicContact SD-CG1 4.37Å; I48-L50 PolarHBondContact O-N 3.43Å; I48-V59 CarbonylContact O-C 3.27Å; I48-V59 VanDerWaalsContact O-CA 3.29Å; I48-V59 WeakPolarHBondContact O-CA 3.45Å; I48-Q60 PolarHBondContact N-O 3.31Å; I48-Q60 PolarHBondContact O-N 2.78Å; I48-V62 HydrophobicContact CD1-CG2 4.34Å; I48-V62 HydrophobicContact CG1-CG2 4.01Å |
| 49 | K | 84.6 | Confident | 84.3 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 26% | 0.261 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 121.5 | 173 | 180 | 171.8 | 179.2 | -176.9 | 0 | 109.7 | D33 V35 E52 | D33-K49 HydrophobicContact CB-CB 4.24Å; D33-K49 WeakPolarHBondContact O-CB 3.46Å; D33-K49 PolarHBondContact O-N 3.14Å; V35-K49 HydrophobicContact CG2-CB 4.47Å; K49-E52 WeakPolarHBondContact CE-OE2 3.35Å; K49-E52 VanDerWaalsContact NZ-CD 3.33Å; K49-E52 IonicContact NZ-OE1 2.77Å; K49-E52 IonicContact NZ-OE2 2.67Å; K49-E52 PolarHBondContact NZ-OE2 2.69Å |
| 50 | L | 84.9 | Confident | 84.4 | Confident | 75 Ų | 75 | 64.1 Ų | 64.1 | 39% | 0.393 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -42.5 | 179.5 | -66.5 | -177.2 | 0 | 0 | 0 | 112.6 | I48 V58 Q60 K67 | I48-L50 PolarHBondContact O-N 3.43Å; L50-V58 PolarHBondContact N-O 2.73Å; L50-Q60 HydrophobicContact CD1-CB 3.85Å; L50-Q60 HydrophobicContact CD2-CB 4.37Å; L50-Q60 HydrophobicContact CG-CB 4.04Å; L50-K67 HydrophobicContact CD1-CD 3.57Å; L50-K67 VanDerWaalsContact CD1-CE 3.45Å; L50-K67 HydrophobicContact CD1-CG 3.91Å |
| 51 | Q | 82.3 | Confident | 84.5 | Confident | 112 Ų | 112 | 56.2 Ų | 56.2 | 52% | 0.523 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 150.4 | -174.6 | -143.5 | 177.4 | 27.3 | 0 | 0 | 111 | V58 | Q51-V58 HydrophobicContact CB-CB 4.21Å; Q51-V58 PolarHBondContact N-O 2.77Å; Q51-V58 VanDerWaalsContact N-O 3.16Å; Q51-V58 PolarHBondContact O-N 2.71Å |
| 52 | E | 78.9 | Confident | 84.5 | Confident | 87 Ų | 87 | 50 Ų | 50 | 41% | 0.407 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 121.9 | 176.6 | -164.2 | 165.5 | -169.6 | 0 | 0 | 107.8 | K49 K72 | K49-E52 WeakPolarHBondContact CE-OE2 3.35Å; K49-E52 VanDerWaalsContact NZ-CD 3.33Å; K49-E52 IonicContact NZ-OE1 2.77Å; K49-E52 IonicContact NZ-OE2 2.67Å; K49-E52 PolarHBondContact NZ-OE2 2.69Å; E52-K72 WeakPolarHBondContact OE1-CD 3.24Å; E52-K72 VanDerWaalsContact OE1-CE 3.22Å; E52-K72 WeakPolarHBondContact OE1-CE 3.27Å; E52-K72 IonicContact OE1-NZ 3.26Å; E52-K72 PolarHBondContact OE1-NZ 2.72Å |
| 53 | Q | 78.4 | Confident | 84.2 | Confident | 109 Ų | 109 | 54.6 Ų | 54.6 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 76.1 | -171.6 | -65.3 | -172.8 | 3.1 | 0 | 0 | 108.8 | E55 N56 V58 | Q53-E55 PolarHBondContact O-N 2.75Å; Q53-N56 CarbonylContact C-O 3.52Å; Q53-N56 PolarHBondContact N-O 2.72Å; Q53-N56 PolarHBondContact O-N 2.97Å; Q53-N56 VanDerWaalsContact O-N 3.1Å; Q53-V58 HydrophobicContact CG-CG2 4.49Å |
| 54 | G | 77.5 | Confident | 83.9 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 67% | 0.67 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | -119.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | N56 | G54-N56 VanDerWaalsContact C-N 3.25Å; G54-N56 PolarHBondContact O-N 2.75Å |
| 55 | E | 78.5 | Confident | 83.4 | Confident | 109 Ų | 109 | 58.9 Ų | 58.9 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -10.1 | 176.8 | -60.3 | -177.4 | 168.9 | 0 | 0 | 113.3 | Q53 K72 R1427 | Q53-E55 PolarHBondContact O-N 2.75Å; E55-K72 VanDerWaalsContact O-CB 3.3Å; E55-K72 WeakPolarHBondContact O-CB 3.39Å; E55-K72 PolarHBondContact O-N 2.67Å; E55-R1427 IonicContact OE1-CZ 3.24Å; E55-R1427 VanDerWaalsContact OE1-CZ 3.25Å; E55-R1427 IonicContact OE1-NH1 3.91Å; E55-R1427 PolarHBondContact OE1-NH1 2.93Å; E55-R1427 IonicContact OE1-NH2 2.61Å; E55-R1427 PolarHBondContact OE1-NH2 3.14Å; E55-R1427 IonicContact OE2-CZ 2.65Å; E55-R1427 IonicContact OE2-NH1 3.77Å; E55-R1427 PolarHBondContact OE2-NH1 3.16Å; E55-R1427 IonicContact OE2-NH2 2.66Å |
| 56 | N | 82.6 | Confident | 83.2 | Confident | 70 Ų | 70 | 64.9 Ų | 64.9 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 149.1 | -179.7 | -75.8 | -59.1 | 0 | 0 | 0 | 112.5 | Q53 G54 T69 | Q53-N56 CarbonylContact C-O 3.52Å; Q53-N56 PolarHBondContact N-O 2.72Å; Q53-N56 PolarHBondContact O-N 2.97Å; Q53-N56 VanDerWaalsContact O-N 3.1Å; G54-N56 VanDerWaalsContact C-N 3.25Å; G54-N56 PolarHBondContact O-N 2.75Å; N56-T69 HydrophobicContact CB-CG2 3.85Å |
| 57 | C | 83.7 | Confident | 83.1 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.02 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 123.1 | 177.8 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | T69 F70 V75 | C57-T69 WeakPolarHBondContact O-CA 3.46Å; C57-F70 PolarHBondContact N-O 2.73Å; C57-F70 PolarHBondContact O-N 3.4Å; C57-V75 HydrophobicContact CB-CG2 4.01Å |
| 58 | V | 87 | Confident | 83 | Confident | 22 Ų | 22 | 71.7 Ų | 71.7 | 13% | 0.133 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 120.7 | 175.1 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | L50 Q51 Q53 T69 | L50-V58 PolarHBondContact N-O 2.73Å; Q51-V58 HydrophobicContact CB-CB 4.21Å; Q51-V58 PolarHBondContact N-O 2.77Å; Q51-V58 VanDerWaalsContact N-O 3.16Å; Q51-V58 PolarHBondContact O-N 2.71Å; Q53-V58 HydrophobicContact CG-CG2 4.49Å; V58-T69 HydrophobicContact CG2-CG2 4.35Å |
| 59 | V | 87.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 159.8 | 179.8 | -51.8 | 0 | 0 | 0 | 0 | 110.7 | V35 V37 A47 I48 K67 C68 F70 | V35-V59 HydrophobicContact CG2-CG1 4.23Å; V37-V59 HydrophobicContact CG1-CG1 4.29Å; V37-V59 HydrophobicContact CG1-CG2 4.08Å; V37-V59 HydrophobicContact CG2-CG2 4.35Å; A47-V59 HydrophobicContact CB-CB 3.95Å; A47-V59 HydrophobicContact CB-CG2 3.9Å; I48-V59 CarbonylContact O-C 3.27Å; I48-V59 VanDerWaalsContact O-CA 3.29Å; I48-V59 WeakPolarHBondContact O-CA 3.45Å; V59-K67 CarbonylContact O-C 3.57Å; V59-K67 VanDerWaalsContact O-CA 3.3Å; V59-K67 WeakPolarHBondContact O-CA 3.48Å; V59-C68 HydrophobicContact CG2-CB 4.46Å; V59-C68 PolarHBondContact N-O 3.18Å; V59-C68 PolarHBondContact O-N 2.74Å; V59-C68 VanDerWaalsContact O-O 3.14Å; V59-F70 HydrophobicContact CG2-CD2 3.75Å; V59-F70 HydrophobicContact CG2-CE2 3.85Å |
| 60 | Q | 88.2 | Confident | 83.1 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 29% | 0.29 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 118.4 | 171.7 | -179.1 | 168.4 | -36.1 | 0 | 0 | 109.4 | A47 I48 L50 V62 G65 K67 | A47-Q60 CarbonylContact C-O 3.6Å; A47-Q60 WeakPolarHBondContact CA-O 3.39Å; A47-Q60 WeakPolarHBondContact CB-O 3.18Å; I48-Q60 PolarHBondContact N-O 3.31Å; I48-Q60 PolarHBondContact O-N 2.78Å; L50-Q60 HydrophobicContact CD1-CB 3.85Å; L50-Q60 HydrophobicContact CD2-CB 4.37Å; L50-Q60 HydrophobicContact CG-CB 4.04Å; Q60-V62 PolarHBondContact O-N 2.72Å; Q60-G65 WeakPolarHBondContact CG-O 3.46Å; Q60-K67 HydrophobicContact CB-CG 4.36Å; Q60-K67 HydrophobicContact CG-CG 4.41Å |
| 61 | L | 86.2 | Confident | 83.1 | Confident | 18 Ų | 18 | 70.8 Ų | 70.8 | 9% | 0.094 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 130.8 | 177.9 | -57.6 | -174.6 | 0 | 0 | 0 | 110 | V37 V45 A47 S64 G65 K66 | V37-L61 HydrophobicContact CG2-CD2 3.56Å; V45-L61 HydrophobicContact CG2-CD2 3.83Å; A47-L61 HydrophobicContact CB-CD2 4.01Å; L61-S64 WeakPolarHBondContact CB-OG 3.22Å; L61-G65 VanDerWaalsContact O-CA 3.26Å; L61-G65 WeakPolarHBondContact O-CA 3.37Å; L61-G65 PolarHBondContact O-N 2.78Å; L61-K66 HydrophobicContact CD1-CB 4.41Å; L61-K66 PolarHBondContact N-O 2.74Å |
| 62 | V | 83.4 | Confident | 82.9 | Confident | 73 Ų | 73 | 70.4 Ų | 70.4 | 44% | 0.442 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -43.7 | -174.3 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | A46 I48 Q60 | A46-V62 HydrophobicContact CB-CB 4.06Å; A46-V62 HydrophobicContact CB-CG2 3.94Å; A46-V62 PolarHBondContact O-N 2.77Å; I48-V62 HydrophobicContact CD1-CG2 4.34Å; I48-V62 HydrophobicContact CG1-CG2 4.01Å; Q60-V62 PolarHBondContact O-N 2.72Å |
| 63 | E | 77.5 | Confident | 82.8 | Confident | 157 Ų | 157 | 70.3 Ų | 70.3 | 73% | 0.734 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -31.9 | -174 | -60.6 | -175.5 | 140.5 | 0 | 0 | 113.9 | ||
| 64 | S | 79 | Confident | 82.9 | Confident | 79 Ų | 79 | 71.7 Ų | 71.7 | 55% | 0.552 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | -7.1 | -175.3 | 63.3 | 0 | 0 | 0 | 0 | 114.4 | L61 K66 | L61-S64 WeakPolarHBondContact CB-OG 3.22Å; S64-K66 PolarHBondContact O-N 3.26Å |
| 65 | G | 79.6 | Confident | 83.2 | Confident | 39 Ų | 39 | 69.8 Ų | 69.8 | 40% | 0.402 | 36% | 0.361 | S | S | . | . | trans | 63.9 | -0.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | Q60 L61 K67 | Q60-G65 WeakPolarHBondContact CG-O 3.46Å; L61-G65 VanDerWaalsContact O-CA 3.26Å; L61-G65 WeakPolarHBondContact O-CA 3.37Å; L61-G65 PolarHBondContact O-N 2.78Å; G65-K67 PolarHBondContact O-N 3.09Å | ||
| 66 | K | 84.5 | Confident | 83.5 | Confident | 136 Ų | 136 | 66.3 Ų | 66.3 | 59% | 0.591 | 35% | 0.345 | S | S | * | . | trans | -70.4 | 128.1 | -174.9 | -171.9 | -178.2 | 177.6 | -174.7 | 0 | 110.5 | L61 S64 | L61-K66 HydrophobicContact CD1-CB 4.41Å; L61-K66 PolarHBondContact N-O 2.74Å; S64-K66 PolarHBondContact O-N 3.26Å | ||
| 67 | K | 87 | Confident | 83.4 | Confident | 137 Ų | 137 | 69.4 Ų | 69.4 | 60% | 0.596 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 128.7 | 169.6 | -61.2 | -171.1 | -177.2 | -168.3 | 0 | 109.8 | L50 V59 Q60 G65 | L50-K67 HydrophobicContact CD1-CD 3.57Å; L50-K67 VanDerWaalsContact CD1-CE 3.45Å; L50-K67 HydrophobicContact CD1-CG 3.91Å; V59-K67 CarbonylContact O-C 3.57Å; V59-K67 VanDerWaalsContact O-CA 3.3Å; V59-K67 WeakPolarHBondContact O-CA 3.48Å; Q60-K67 HydrophobicContact CB-CG 4.36Å; Q60-K67 HydrophobicContact CG-CG 4.41Å; G65-K67 PolarHBondContact O-N 3.09Å |
| 68 | C | 85.9 | Confident | 83.3 | Confident | 27 Ų | 27 | 70.7 Ų | 70.7 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 151.9 | -179.9 | -63 | 0 | 0 | 0 | 0 | 109.3 | V59 F70 | V59-C68 HydrophobicContact CG2-CB 4.46Å; V59-C68 PolarHBondContact N-O 3.18Å; V59-C68 PolarHBondContact O-N 2.74Å; V59-C68 VanDerWaalsContact O-O 3.14Å; C68-F70 HydrophobicContact CB-CD2 4.23Å; C68-F70 HydrophobicContact CB-CE2 3.63Å; C68-F70 HydrophobicContact CB-CZ 4.31Å |
| 69 | T | 87.8 | Confident | 82.8 | Confident | 87 Ų | 87 | 70.6 Ų | 70.6 | 53% | 0.534 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.7 | 175.2 | -51 | 0 | 0 | 0 | 0 | 108 | N56 C57 V58 | N56-T69 HydrophobicContact CB-CG2 3.85Å; C57-T69 WeakPolarHBondContact O-CA 3.46Å; V58-T69 HydrophobicContact CG2-CG2 4.35Å |
| 70 | F | 85.4 | Confident | 81.9 | Confident | 41 Ų | 41 | 73.1 Ų | 73.1 | 18% | 0.18 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 149.1 | 175 | -67.1 | -88.6 | 0 | 0 | 0 | 109.4 | V37 C57 V59 C68 V75 | V37-F70 HydrophobicContact CB-CD2 3.97Å; V37-F70 HydrophobicContact CB-CE1 4.47Å; V37-F70 HydrophobicContact CB-CE2 3.71Å; V37-F70 HydrophobicContact CB-CG 4.45Å; V37-F70 HydrophobicContact CB-CZ 3.98Å; V37-F70 HydrophobicContact CG1-CD2 3.91Å; V37-F70 HydrophobicContact CG1-CE2 4.1Å; V37-F70 HydrophobicContact CG1-CG 4.44Å; V37-F70 HydrophobicContact CG2-CD2 4.33Å; V37-F70 HydrophobicContact CG2-CE2 3.66Å; V37-F70 HydrophobicContact CG2-CZ 3.98Å; C57-F70 PolarHBondContact N-O 2.73Å; C57-F70 PolarHBondContact O-N 3.4Å; V59-F70 HydrophobicContact CG2-CD2 3.75Å; V59-F70 HydrophobicContact CG2-CE2 3.85Å; C68-F70 HydrophobicContact CB-CD2 4.23Å; C68-F70 HydrophobicContact CB-CE2 3.63Å; C68-F70 HydrophobicContact CB-CZ 4.31Å; F70-V75 HydrophobicContact CB-CG2 4.14Å |
| 71 | P | 84.1 | Confident | 81 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 34% | 0.344 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 143.3 | 165 | -16.9 | 29.1 | 0 | 0 | 0 | 109.9 | D73 Y74 | P71-D73 PolarHBondContact O-N 3.42Å; P71-D73 VanDerWaalsContact O-N 3.1Å; P71-Y74 HydrophobicContact CB-CD2 3.93Å; P71-Y74 HydrophobicContact CB-CE2 4.34Å; P71-Y74 HydrophobicContact CG-CD2 3.89Å; P71-Y74 HydrophobicContact CG-CE2 4.1Å; P71-Y74 PolarHBondContact O-N 3.29Å |
| 72 | K | 78.6 | Confident | 80.1 | Confident | 105 Ų | 105 | 75.4 Ų | 75.4 | 46% | 0.457 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -52.9 | -34.6 | -173.7 | 179 | 167.6 | 173.5 | 158.5 | 0 | 113.4 | E52 E55 Y74 V75 | E52-K72 WeakPolarHBondContact OE1-CD 3.24Å; E52-K72 VanDerWaalsContact OE1-CE 3.22Å; E52-K72 WeakPolarHBondContact OE1-CE 3.27Å; E52-K72 IonicContact OE1-NZ 3.26Å; E52-K72 PolarHBondContact OE1-NZ 2.72Å; E55-K72 VanDerWaalsContact O-CB 3.3Å; E55-K72 WeakPolarHBondContact O-CB 3.39Å; E55-K72 PolarHBondContact O-N 2.67Å; K72-Y74 VanDerWaalsContact C-N 3.26Å; K72-Y74 PolarHBondContact O-N 2.72Å; K72-V75 PolarHBondContact O-N 2.83Å; K72-V75 VanDerWaalsContact O-N 3.11Å |
| 73 | D | 75.8 | Confident | 79.7 | Confident | 85 Ų | 85 | 73.4 Ų | 73.4 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -64 | -27.7 | -178.2 | -47.9 | -42.7 | 0 | 0 | 0 | 113.3 | P71 L1434 | P71-D73 PolarHBondContact O-N 3.42Å; P71-D73 VanDerWaalsContact O-N 3.1Å; D73-L1434 HydrophobicContact CB-CD1 3.91Å |
| 74 | Y | 81.9 | Confident | 79.6 | Confident | 137 Ų | 137 | 68.5 Ų | 68.5 | 54% | 0.537 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -84.6 | -7.1 | 177.6 | -67.6 | -80.2 | 0 | 0 | 0 | 113.7 | P38 P71 K72 Q76 | P38-Y74 HydrophobicContact CG-CD1 4Å; P38-Y74 HydrophobicContact CG-CG 4.39Å; P71-Y74 HydrophobicContact CB-CD2 3.93Å; P71-Y74 HydrophobicContact CB-CE2 4.34Å; P71-Y74 HydrophobicContact CG-CD2 3.89Å; P71-Y74 HydrophobicContact CG-CE2 4.1Å; P71-Y74 PolarHBondContact O-N 3.29Å; K72-Y74 VanDerWaalsContact C-N 3.26Å; K72-Y74 PolarHBondContact O-N 2.72Å; Y74-Q76 PolarHBondContact O-N 2.82Å |
| 75 | V | 83.6 | Confident | 79.9 | Confident | 25 Ų | 25 | 67.7 Ų | 67.7 | 15% | 0.152 | 33% | 0.334 | C | S | . | . | trans | -93.6 | 90.5 | -174.6 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | V35 V37 C57 F70 K72 | V35-V75 HydrophobicContact CB-CG1 3.64Å; V35-V75 HydrophobicContact CG1-CG1 3.77Å; V35-V75 HydrophobicContact CG2-CG1 3.67Å; V37-V75 HydrophobicContact CG1-CG1 4.36Å; V37-V75 HydrophobicContact CG1-CG2 4.14Å; C57-V75 HydrophobicContact CB-CG2 4.01Å; F70-V75 HydrophobicContact CB-CG2 4.14Å; K72-V75 PolarHBondContact O-N 2.83Å; K72-V75 VanDerWaalsContact O-N 3.11Å | ||
| 76 | Q | 84 | Confident | 80.1 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 135.8 | -176.9 | -54.5 | -177.1 | 6 | 0 | 0 | 110.8 | V35 W36 Y74 N96 A98 | V35-Q76 CarbonylContact C-O 3.5Å; V35-Q76 WeakPolarHBondContact CA-O 3.04Å; W36-Q76 HydrophobicContact CB-CB 4.25Å; W36-Q76 PolarHBondContact N-O 3.01Å; W36-Q76 PolarHBondContact O-N 2.7Å; Y74-Q76 PolarHBondContact O-N 2.82Å; Q76-N96 HydrophobicContact CB-CB 4.34Å; Q76-A98 VanDerWaalsContact OE1-N 3.11Å |
| 77 | R | 80.9 | Confident | 80.2 | Confident | 136 Ų | 136 | 64.9 Ų | 64.9 | 51% | 0.513 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 140.3 | 179.7 | -61.5 | -177.1 | -166.4 | -174.7 | 9 | 112.1 | F94 N96 | R77-F94 HydrophobicContact CB-CD1 3.6Å; R77-F94 HydrophobicContact CB-CE1 3.86Å; R77-F94 HydrophobicContact CB-CG 4.33Å; R77-F94 HydrophobicContact CG-CD1 4.46Å; R77-F94 HydrophobicContact CG-CE1 4.43Å; R77-N96 PolarHBondContact O-ND2 3.11Å |
| 78 | M | 81.6 | Confident | 80.1 | Confident | 29 Ų | 29 | 59 Ų | 59 | 14% | 0.143 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 151 | 177.6 | -168 | 172.6 | -73 | 0 | 0 | 112 | L29 M34 W36 A46 F94 | L29-M78 HydrophobicContact CD2-SD 3.84Å; M34-M78 HydrophobicContact CB-CB 4.31Å; M34-M78 HydrophobicContact CB-SD 4.15Å; M34-M78 WeakPolarHBondContact O-CB 3.48Å; M34-M78 PolarHBondContact O-N 3.47Å; W36-M78 HydrophobicContact CD2-CE 3.97Å; W36-M78 HydrophobicContact CE3-CE 4.19Å; W36-M78 HydrophobicContact CH2-CE 4.14Å; W36-M78 HydrophobicContact CZ2-CE 3.95Å; W36-M78 HydrophobicContact CZ2-CG 4.24Å; W36-M78 HydrophobicContact CZ3-CE 4.27Å; A46-M78 HydrophobicContact CB-CE 3.64Å; M78-F94 WeakPolarHBondContact O-CD2 3.08Å |
| 79 | N | 76.4 | Confident | 80.1 | Confident | 21 Ų | 21 | 57.7 Ų | 57.7 | 11% | 0.112 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 140.2 | 169.7 | -87.6 | -78.4 | 0 | 0 | 0 | 111.3 | Y83 S93 F94 S99 | N79-Y83 HydrophobicContact CB-CD2 4.34Å; N79-S93 PolarHBondContact OD1-N 2.8Å; N79-F94 PolarHBondContact ND2-O 2.76Å; N79-F94 PolarHBondContact OD1-N 2.75Å; N79-S99 WeakPolarHBondContact ND2-CB 3.49Å; N79-S99 PolarHBondContact ND2-OG 3.39Å |
| 80 | P | 68.1 | Low | 79.7 | Confident | 52 Ų | 52 | 54 Ų | 54 | 34% | 0.338 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 142.1 | 167.7 | -28.4 | 35.4 | 0 | 0 | 0 | 112.9 | K82 Y83 | P80-K82 HydrophobicContact CB-CG 4.22Å; P80-K82 PolarHBondContact O-N 3.14Å; P80-Y83 HydrophobicContact CB-CD2 4.21Å; P80-Y83 HydrophobicContact CB-CE2 4.41Å; P80-Y83 HydrophobicContact CG-CD2 4.41Å; P80-Y83 HydrophobicContact CG-CE2 4.33Å; P80-Y83 WeakPolarHBondContact O-CD2 3.21Å; P80-Y83 PolarHBondContact O-N 3.47Å |
| 81 | S | 69.3 | Low | 79.3 | Confident | 29 Ų | 29 | 56.4 Ų | 56.4 | 20% | 0.203 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -52.5 | -28.3 | -175.2 | 47.6 | 0 | 0 | 0 | 0 | 115.4 | Y83 D84 | S81-Y83 PolarHBondContact O-N 2.76Å; S81-Y83 VanDerWaalsContact O-N 3.1Å; S81-D84 WeakPolarHBondContact O-CB 3.39Å; S81-D84 PolarHBondContact O-N 2.69Å |
| 82 | K | 68 | Low | 78.8 | Confident | 99 Ų | 99 | 54.1 Ų | 54.1 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -52.5 | -31.3 | 172.7 | 63.4 | 169.9 | -176.9 | 157.9 | 0 | 113.2 | R18 P80 | R18-K82 PolarHBondContact NH1-O 3.35Å; R18-K82 VanDerWaalsContact NH1-O 3.12Å; P80-K82 HydrophobicContact CB-CG 4.22Å; P80-K82 PolarHBondContact O-N 3.14Å |
| 83 | Y | 73.6 | Confident | 78.4 | Confident | 32 Ų | 32 | 49.9 Ų | 49.9 | 13% | 0.125 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -86.7 | 2.1 | 179 | -58.6 | -64.9 | 0 | 0 | 0 | 115.2 | N79 P80 S81 I86 S93 | N79-Y83 HydrophobicContact CB-CD2 4.34Å; P80-Y83 HydrophobicContact CB-CD2 4.21Å; P80-Y83 HydrophobicContact CB-CE2 4.41Å; P80-Y83 HydrophobicContact CG-CD2 4.41Å; P80-Y83 HydrophobicContact CG-CE2 4.33Å; P80-Y83 WeakPolarHBondContact O-CD2 3.21Å; P80-Y83 PolarHBondContact O-N 3.47Å; S81-Y83 PolarHBondContact O-N 2.76Å; S81-Y83 VanDerWaalsContact O-N 3.1Å; Y83-I86 HydrophobicContact CD1-CD1 3.95Å; Y83-I86 WeakPolarHBondContact O-CB 3.17Å; Y83-S93 VanDerWaalsContact CE2-CB 3.41Å; Y83-S93 WeakPolarHBondContact CE2-OG 2.89Å; Y83-S93 PolarHBondContact OH-OG 3.31Å |
| 84 | D | 76.9 | Confident | 78.1 | Confident | 53 Ų | 53 | 47.5 Ų | 47.5 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 142.8 | 174.2 | -174.6 | 34 | 0 | 0 | 0 | 111.5 | R18 S81 I86 T106 | R18-D84 VanDerWaalsContact CZ-O 3.32Å; R18-D84 PolarHBondContact NH1-O 3.11Å; R18-D84 VanDerWaalsContact NH1-O 3.09Å; S81-D84 WeakPolarHBondContact O-CB 3.39Å; S81-D84 PolarHBondContact O-N 2.69Å; D84-I86 PolarHBondContact O-N 3.43Å; D84-T106 WeakPolarHBondContact OD1-CB 3.4Å; D84-T106 PolarHBondContact OD1-OG1 2.77Å |
| 85 | K | 84.1 | Confident | 77.8 | Confident | 63 Ų | 63 | 42.5 Ų | 42.5 | 27% | 0.274 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 27.9 | -177.1 | -53.2 | -179.9 | -171 | -171.1 | 0 | 115.1 | N103 R107 S110 M112 | K85-N103 VanDerWaalsContact C-OD1 3.26Å; K85-N103 VanDerWaalsContact CA-OD1 3.23Å; K85-N103 WeakPolarHBondContact CA-OD1 3.17Å; K85-N103 PolarHBondContact N-OD1 3.39Å; K85-R107 HydrophobicContact CB-CG 4.01Å; K85-R107 HydrophobicContact CG-CG 4.42Å; K85-R107 PolarHBondContact O-NH1 3.47Å; K85-S110 VanDerWaalsContact CE-OG 3.31Å; K85-S110 WeakPolarHBondContact CE-OG 3.29Å; K85-S110 PolarHBondContact NZ-OG 3.43Å; K85-M112 HydrophobicContact CB-CE 4.15Å; K85-M112 HydrophobicContact CD-CE 3.98Å; K85-M112 HydrophobicContact CG-CE 4.47Å |
| 86 | I | 84.7 | Confident | 77.7 | Confident | 27 Ų | 27 | 42.7 Ų | 42.7 | 14% | 0.138 | 21% | 0.207 | C | C | . | . | trans | -54.9 | 140.4 | -176.5 | -157.6 | 169.3 | 0 | 0 | 0 | 113.1 | Y83 D84 N91 L92 N103 R107 | Y83-I86 HydrophobicContact CD1-CD1 3.95Å; Y83-I86 WeakPolarHBondContact O-CB 3.17Å; D84-I86 PolarHBondContact O-N 3.43Å; I86-N91 HydrophobicContact CD1-CB 3.57Å; I86-L92 HydrophobicContact CG2-CD2 3.75Å; I86-L92 HydrophobicContact CG2-CG 4.14Å; I86-N103 PolarHBondContact N-OD1 2.76Å; I86-N103 PolarHBondContact O-ND2 2.79Å; I86-R107 WeakPolarHBondContact O-CD 3.47Å | ||
| 87 | K | 86.7 | Confident | 77.7 | Confident | 89 Ų | 89 | 42.8 Ų | 42.8 | 39% | 0.387 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -66.2 | -38.9 | -179.1 | -67.4 | -177.5 | 178.1 | -179.3 | 0 | 113 | Y116 P151 | K87-Y116 PolarHBondContact O-N 2.7Å; K87-P151 HydrophobicContact CB-CG 4.03Å; K87-P151 WeakPolarHBondContact O-CG 3.05Å |
| 88 | D | 85.6 | Confident | 78.1 | Confident | 13 Ų | 13 | 36.4 Ų | 36.4 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -128.9 | 127.9 | -179.5 | -161.3 | -42.3 | 0 | 0 | 0 | 110 | A90 N91 Y116 G118 R146 | D88-A90 VanDerWaalsContact C-N 3.29Å; D88-A90 PolarHBondContact O-N 3.18Å; D88-A90 WeakPolarHBondContact OD1-CB 3.46Å; D88-A90 PolarHBondContact OD1-N 2.8Å; D88-N91 PolarHBondContact O-N 2.77Å; D88-Y116 WeakPolarHBondContact CA-O 3.4Å; D88-Y116 VanDerWaalsContact CG-CB 3.43Å; D88-Y116 WeakPolarHBondContact OD2-CB 3.47Å; D88-G118 PolarHBondContact OD1-N 2.68Å; D88-R146 IonicContact OD2-NH2 2.62Å; D88-R146 PolarHBondContact OD2-NH2 2.76Å |
| 89 | M | 85.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -77.5 | -13.2 | -175.8 | -62.2 | -168 | -67.8 | 0 | 0 | 113.4 | N91 L92 V100 N103 L104 T115 Y116 S117 V122 I713 | M89-N91 PolarHBondContact O-N 2.7Å; M89-L92 HydrophobicContact CB-CD1 4.11Å; M89-L92 HydrophobicContact CG-CD1 4.44Å; M89-L92 WeakPolarHBondContact O-CG 3.35Å; M89-L92 PolarHBondContact O-N 3.33Å; M89-V100 HydrophobicContact CE-CG1 4.02Å; M89-V100 HydrophobicContact SD-CB 4.46Å; M89-V100 HydrophobicContact SD-CG1 3.88Å; M89-N103 WeakPolarHBondContact CG-ND2 3.1Å; M89-N103 HydrophobicContact SD-CB 4.33Å; M89-L104 HydrophobicContact CE-CD1 4.22Å; M89-L104 HydrophobicContact CE-CD2 4.02Å; M89-L104 HydrophobicContact CE-CG 4.17Å; M89-L104 HydrophobicContact SD-CD2 4.2Å; M89-L104 HydrophobicContact SD-CG 4.02Å; M89-T115 HydrophobicContact CE-CG2 4.22Å; M89-T115 HydrophobicContact CG-CG2 3.82Å; M89-T115 HydrophobicContact SD-CG2 4.09Å; M89-Y116 PolarHBondContact N-O 2.74Å; M89-S117 WeakPolarHBondContact CE-OG 3.45Å; M89-V122 HydrophobicContact CE-CG2 4.26Å; M89-I713 HydrophobicContact CB-CD1 3.96Å; M89-I713 HydrophobicContact CE-CD1 4.2Å |
| 90 | A | 78.9 | Confident | 79 | Confident | 9 Ų | 9 | 34.2 Ų | 34.2 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -60.1 | -28.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D88 L92 I713 | D88-A90 VanDerWaalsContact C-N 3.29Å; D88-A90 PolarHBondContact O-N 3.18Å; D88-A90 WeakPolarHBondContact OD1-CB 3.46Å; D88-A90 PolarHBondContact OD1-N 2.8Å; A90-L92 PolarHBondContact O-N 3.32Å; A90-I713 HydrophobicContact CB-CG2 4.48Å |
| 91 | N | 76.9 | Confident | 80.1 | Confident | 92 Ų | 92 | 32.1 Ų | 32.1 | 49% | 0.492 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -87.3 | 4.6 | -175 | -65.4 | -8.6 | 0 | 0 | 0 | 114.3 | I86 D88 M89 | I86-N91 HydrophobicContact CD1-CB 3.57Å; D88-N91 PolarHBondContact O-N 2.77Å; M89-N91 PolarHBondContact O-N 2.7Å |
| 92 | L | 74.3 | Confident | 81.1 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | trans | -68.2 | 132 | 176.3 | -71.2 | 171 | 0 | 0 | 0 | 111.3 | I86 M89 A90 F94 V100 R717 | I86-L92 HydrophobicContact CG2-CD2 3.75Å; I86-L92 HydrophobicContact CG2-CG 4.14Å; M89-L92 HydrophobicContact CB-CD1 4.11Å; M89-L92 HydrophobicContact CG-CD1 4.44Å; M89-L92 WeakPolarHBondContact O-CG 3.35Å; M89-L92 PolarHBondContact O-N 3.33Å; A90-L92 PolarHBondContact O-N 3.32Å; L92-F94 PolarHBondContact O-N 3.35Å; L92-V100 HydrophobicContact CD1-CG2 4.26Å; L92-R717 PolarHBondContact O-NH1 2.67Å | ||
| 93 | S | 69.3 | Low | 82.2 | Confident | 15 Ų | 15 | 28.5 Ų | 28.5 | 11% | 0.105 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -64 | -38 | 175.9 | -91.8 | 0 | 0 | 0 | 0 | 113.5 | N79 Y83 R1445 | N79-S93 PolarHBondContact OD1-N 2.8Å; Y83-S93 VanDerWaalsContact CE2-CB 3.41Å; Y83-S93 WeakPolarHBondContact CE2-OG 2.89Å; Y83-S93 PolarHBondContact OH-OG 3.31Å; S93-R1445 PolarHBondContact O-NE 3.47Å; S93-R1445 PolarHBondContact O-NH2 3.39Å |
| 94 | F | 71.2 | Confident | 83.1 | Confident | 36 Ų | 36 | 27.1 Ų | 27.1 | 16% | 0.158 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -115.4 | 89.4 | 177.4 | -58.7 | -96.8 | 0 | 0 | 0 | 108 | R77 M78 N79 L92 N96 | R77-F94 HydrophobicContact CB-CD1 3.6Å; R77-F94 HydrophobicContact CB-CE1 3.86Å; R77-F94 HydrophobicContact CB-CG 4.33Å; R77-F94 HydrophobicContact CG-CD1 4.46Å; R77-F94 HydrophobicContact CG-CE1 4.43Å; M78-F94 WeakPolarHBondContact O-CD2 3.08Å; N79-F94 PolarHBondContact ND2-O 2.76Å; N79-F94 PolarHBondContact OD1-N 2.75Å; L92-F94 PolarHBondContact O-N 3.35Å; F94-N96 PolarHBondContact O-N 3.41Å; F94-N96 VanDerWaalsContact O-N 3.13Å |
| 95 | M | 74.5 | Confident | 83.8 | Confident | 31 Ų | 31 | 26 Ų | 26 | 15% | 0.153 | 13% | 0.13 | C | C | . | . | trans | -74.6 | 100.4 | 172.8 | -175.1 | -162.9 | 73.6 | 0 | 0 | 108.4 | I713 R714 M1441 | M95-I713 HydrophobicContact CG-CG2 4.16Å; M95-I713 HydrophobicContact SD-CB 4.15Å; M95-I713 HydrophobicContact SD-CG2 3.69Å; M95-R714 HydrophobicContact CE-CB 3.82Å; M95-R714 HydrophobicContact CE-CG 3.9Å; M95-R714 HydrophobicContact SD-CB 4.24Å; M95-M1441 HydrophobicContact CB-CE 3.83Å | ||
| 96 | N | 81.1 | Confident | 84 | Confident | 29 Ų | 29 | 24.4 Ų | 24.4 | 16% | 0.155 | 13% | 0.125 | C | C | . | . | trans | -145.9 | 163.1 | 174.2 | 57.5 | 34.5 | 0 | 0 | 0 | 109.5 | Q76 R77 F94 A98 S99 V100 | Q76-N96 HydrophobicContact CB-CB 4.34Å; R77-N96 PolarHBondContact O-ND2 3.11Å; F94-N96 PolarHBondContact O-N 3.41Å; F94-N96 VanDerWaalsContact O-N 3.13Å; N96-A98 VanDerWaalsContact C-N 3.32Å; N96-A98 PolarHBondContact O-N 3.3Å; N96-S99 PolarHBondContact O-N 3.14Å; N96-S99 VanDerWaalsContact O-N 3.14Å; N96-S99 WeakPolarHBondContact OD1-CB 3.21Å; N96-S99 PolarHBondContact OD1-N 2.92Å; N96-S99 PolarHBondContact OD1-OG 3.24Å; N96-V100 PolarHBondContact O-N 2.73Å; N96-V100 VanDerWaalsContact O-N 3.08Å | ||
| 97 | E | 85.7 | Confident | 84.3 | Confident | 38 Ų | 38 | 23.4 Ų | 23.4 | 18% | 0.178 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.7 | -47 | -173.2 | -56.2 | -169.2 | 121.6 | 0 | 0 | 112.2 | F44 S99 V100 L101 L701 R705 L710 | F44-E97 HydrophobicContact CE2-CB 3.76Å; F44-E97 HydrophobicContact CZ-CB 4.08Å; E97-S99 VanDerWaalsContact C-N 3.3Å; E97-S99 PolarHBondContact O-N 3.33Å; E97-V100 PolarHBondContact O-N 2.89Å; E97-L101 WeakPolarHBondContact O-CB 3.5Å; E97-L101 PolarHBondContact O-N 2.82Å; E97-L701 HydrophobicContact CB-CD1 3.87Å; E97-L701 HydrophobicContact CG-CD1 4.35Å; E97-R705 VanDerWaalsContact CD-NH2 3.28Å; E97-R705 IonicContact OE1-CZ 2.7Å; E97-R705 VanDerWaalsContact OE1-CZ 3.28Å; E97-R705 IonicContact OE1-NE 2.68Å; E97-R705 PolarHBondContact OE1-NE 2.75Å; E97-R705 IonicContact OE1-NH2 2.76Å; E97-R705 PolarHBondContact OE1-NH2 3.25Å; E97-R705 IonicContact OE2-CZ 3.99Å; E97-R705 IonicContact OE2-NE 2.77Å; E97-R705 IonicContact OE2-NH2 3.75Å; E97-R705 PolarHBondContact OE2-NH2 3.21Å; E97-L710 HydrophobicContact CG-CD1 3.89Å |
| 98 | A | 88.1 | Confident | 84.5 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 2% | 0.017 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.7 | -37.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W36 F44 Q76 N96 N102 | W36-A98 HydrophobicContact CB-CB 3.46Å; W36-A98 VanDerWaalsContact CB-CB 3.46Å; W36-A98 HydrophobicContact CD2-CB 3.83Å; W36-A98 HydrophobicContact CE3-CB 4.5Å; W36-A98 HydrophobicContact CG-CB 3.33Å; F44-A98 HydrophobicContact CB-CB 3.7Å; F44-A98 HydrophobicContact CD1-CB 3.83Å; F44-A98 HydrophobicContact CD2-CB 3.77Å; F44-A98 HydrophobicContact CE1-CB 4.39Å; F44-A98 HydrophobicContact CE2-CB 4.32Å; F44-A98 HydrophobicContact CG-CB 3.49Å; F44-A98 VanDerWaalsContact CG-CB 3.49Å; Q76-A98 VanDerWaalsContact OE1-N 3.11Å; N96-A98 VanDerWaalsContact C-N 3.32Å; N96-A98 PolarHBondContact O-N 3.3Å; A98-N102 WeakPolarHBondContact O-CB 3Å; A98-N102 PolarHBondContact O-N 2.74Å |
| 99 | S | 87.7 | Confident | 84.7 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -76.3 | -33.7 | 178.9 | -60.9 | 0 | 0 | 0 | 0 | 113.5 | W36 N79 N96 E97 N103 | W36-S99 PolarHBondContact NE1-OG 2.93Å; N79-S99 WeakPolarHBondContact ND2-CB 3.49Å; N79-S99 PolarHBondContact ND2-OG 3.39Å; N96-S99 PolarHBondContact O-N 3.14Å; N96-S99 VanDerWaalsContact O-N 3.14Å; N96-S99 WeakPolarHBondContact OD1-CB 3.21Å; N96-S99 PolarHBondContact OD1-N 2.92Å; N96-S99 PolarHBondContact OD1-OG 3.24Å; E97-S99 VanDerWaalsContact C-N 3.3Å; E97-S99 PolarHBondContact O-N 3.33Å; S99-N103 WeakPolarHBondContact O-CB 3.37Å; S99-N103 PolarHBondContact O-N 3.3Å |
| 100 | V | 89.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.3 | -48.9 | 172.9 | 171.8 | 0 | 0 | 0 | 0 | 109.7 | M89 L92 N96 E97 N103 L104 L704 L710 I713 | M89-V100 HydrophobicContact CE-CG1 4.02Å; M89-V100 HydrophobicContact SD-CB 4.46Å; M89-V100 HydrophobicContact SD-CG1 3.88Å; L92-V100 HydrophobicContact CD1-CG2 4.26Å; N96-V100 PolarHBondContact O-N 2.73Å; N96-V100 VanDerWaalsContact O-N 3.08Å; E97-V100 PolarHBondContact O-N 2.89Å; V100-N103 PolarHBondContact O-N 3Å; V100-L104 HydrophobicContact CG1-CD1 4.31Å; V100-L104 WeakPolarHBondContact O-CG 3.05Å; V100-L104 PolarHBondContact O-N 3.45Å; V100-L104 VanDerWaalsContact O-N 3.09Å; V100-L704 HydrophobicContact CG1-CD1 4.1Å; V100-L704 HydrophobicContact CG1-CD2 4.38Å; V100-L710 HydrophobicContact CB-CD2 4.13Å; V100-L710 HydrophobicContact CG1-CD2 4.19Å; V100-L710 HydrophobicContact CG2-CD2 4Å; V100-I713 HydrophobicContact CG2-CD1 4.31Å |
| 101 | L | 91.5 | Very high | 85 | Confident | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.7 | -47.4 | 175.3 | -179.6 | 65.7 | 0 | 0 | 0 | 111.6 | A43 F44 E97 N103 L104 K105 V700 | A43-L101 HydrophobicContact CB-CD2 3.71Å; F44-L101 HydrophobicContact CD2-CD2 4.3Å; E97-L101 WeakPolarHBondContact O-CB 3.5Å; E97-L101 PolarHBondContact O-N 2.82Å; L101-N103 PolarHBondContact O-N 2.72Å; L101-L104 PolarHBondContact O-N 3.26Å; L101-K105 VanDerWaalsContact O-CB 3.3Å; L101-K105 WeakPolarHBondContact O-CB 2.93Å; L101-K105 PolarHBondContact O-N 3.35Å; L101-V700 HydrophobicContact CD1-CB 3.87Å; L101-V700 HydrophobicContact CD1-CG1 3.59Å |
| 102 | N | 89.6 | Confident | 85.6 | Confident | 48 Ų | 48 | 23.6 Ų | 23.6 | 26% | 0.257 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 179.3 | -178.9 | 73.2 | 0 | 0 | 0 | 112.1 | W36 A98 L104 K105 T106 | W36-N102 HydrophobicContact CH2-CB 3.87Å; W36-N102 WeakPolarHBondContact CH2-OD1 3.21Å; W36-N102 HydrophobicContact CZ2-CB 3.73Å; A98-N102 WeakPolarHBondContact O-CB 3Å; A98-N102 PolarHBondContact O-N 2.74Å; N102-L104 PolarHBondContact O-N 2.77Å; N102-K105 WeakPolarHBondContact O-CB 3.27Å; N102-K105 PolarHBondContact O-N 3.42Å; N102-T106 WeakPolarHBondContact O-CG2 3.42Å; N102-T106 PolarHBondContact O-N 3.35Å; N102-T106 PolarHBondContact O-OG1 2.9Å |
| 103 | N | 91.1 | Very high | 86.5 | Confident | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 177 | -175.4 | 57.6 | 0 | 0 | 0 | 112 | K85 I86 M89 S99 V100 L101 R107 | K85-N103 VanDerWaalsContact C-OD1 3.26Å; K85-N103 VanDerWaalsContact CA-OD1 3.23Å; K85-N103 WeakPolarHBondContact CA-OD1 3.17Å; K85-N103 PolarHBondContact N-OD1 3.39Å; I86-N103 PolarHBondContact N-OD1 2.76Å; I86-N103 PolarHBondContact O-ND2 2.79Å; M89-N103 WeakPolarHBondContact CG-ND2 3.1Å; M89-N103 HydrophobicContact SD-CB 4.33Å; S99-N103 WeakPolarHBondContact O-CB 3.37Å; S99-N103 PolarHBondContact O-N 3.3Å; V100-N103 PolarHBondContact O-N 3Å; L101-N103 PolarHBondContact O-N 2.72Å; N103-R107 WeakPolarHBondContact ND2-CD 3.48Å; N103-R107 VanDerWaalsContact O-CB 3.25Å; N103-R107 WeakPolarHBondContact O-CB 3.41Å; N103-R107 WeakPolarHBondContact O-CG 3.2Å; N103-R107 PolarHBondContact O-N 2.79Å |
| 104 | L | 92.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.1 | -40 | 174.4 | -67.7 | 171.1 | 0 | 0 | 0 | 111.5 | M89 V100 L101 N102 Y108 T115 V122 V124 L704 | M89-L104 HydrophobicContact CE-CD1 4.22Å; M89-L104 HydrophobicContact CE-CD2 4.02Å; M89-L104 HydrophobicContact CE-CG 4.17Å; M89-L104 HydrophobicContact SD-CD2 4.2Å; M89-L104 HydrophobicContact SD-CG 4.02Å; V100-L104 HydrophobicContact CG1-CD1 4.31Å; V100-L104 WeakPolarHBondContact O-CG 3.05Å; V100-L104 PolarHBondContact O-N 3.45Å; V100-L104 VanDerWaalsContact O-N 3.09Å; L101-L104 PolarHBondContact O-N 3.26Å; N102-L104 PolarHBondContact O-N 2.77Å; L104-Y108 WeakPolarHBondContact O-CB 3Å; L104-Y108 PolarHBondContact O-N 3.28Å; L104-T115 HydrophobicContact CD2-CG2 4.36Å; L104-V122 HydrophobicContact CD1-CG1 4.19Å; L104-V122 HydrophobicContact CD2-CB 4.44Å; L104-V122 HydrophobicContact CD2-CG1 3.97Å; L104-V124 HydrophobicContact CD2-CG2 4.42Å; L104-L704 HydrophobicContact CD1-CD1 3.96Å; L104-L704 HydrophobicContact CD1-CD2 3.89Å; L104-L704 HydrophobicContact CD1-CG 4.49Å |
| 105 | K | 91.4 | Very high | 88.7 | Confident | 31 Ų | 31 | 21.4 Ų | 21.4 | 14% | 0.135 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.6 | -51.1 | 175.5 | -171.3 | 170.3 | -174.7 | 171.6 | 0 | 111.7 | E42 L101 N102 R107 Y108 Y109 I695 | E42-K105 IonicContact OE1-NZ 2.78Å; E42-K105 PolarHBondContact OE1-NZ 2.75Å; E42-K105 IonicContact OE2-NZ 3.77Å; E42-K105 PolarHBondContact OE2-NZ 3.47Å; L101-K105 VanDerWaalsContact O-CB 3.3Å; L101-K105 WeakPolarHBondContact O-CB 2.93Å; L101-K105 PolarHBondContact O-N 3.35Å; N102-K105 WeakPolarHBondContact O-CB 3.27Å; N102-K105 PolarHBondContact O-N 3.42Å; K105-R107 PolarHBondContact O-N 3.14Å; K105-Y108 PolarHBondContact O-N 3.46Å; K105-Y109 HydrophobicContact CD-CE2 4.34Å; K105-Y109 HydrophobicContact CG-CD2 3.92Å; K105-Y109 HydrophobicContact CG-CE2 3.54Å; K105-Y109 WeakPolarHBondContact O-CD2 3.43Å; K105-Y109 PolarHBondContact O-N 3.01Å; K105-Y109 VanDerWaalsContact O-N 3.1Å; K105-I695 HydrophobicContact CG-CG2 4.05Å |
| 106 | T | 89.6 | Confident | 89.4 | Confident | 28 Ų | 28 | 20.4 Ų | 20.4 | 17% | 0.172 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -70.9 | -29.2 | -179.5 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | D84 N102 S110 | D84-T106 WeakPolarHBondContact OD1-CB 3.4Å; D84-T106 PolarHBondContact OD1-OG1 2.77Å; N102-T106 WeakPolarHBondContact O-CG2 3.42Å; N102-T106 PolarHBondContact O-N 3.35Å; N102-T106 PolarHBondContact O-OG1 2.9Å; T106-S110 PolarHBondContact O-N 3.42Å; T106-S110 PolarHBondContact O-OG 2.82Å |
| 107 | R | 91.2 | Very high | 89.7 | Confident | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.026 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -73.3 | -45.9 | 172.5 | -70.4 | 178.2 | 64.5 | 66.8 | 9.9 | 112.5 | K85 I86 N103 K105 Y109 S110 G111 M112 Y114 T115 | K85-R107 HydrophobicContact CB-CG 4.01Å; K85-R107 HydrophobicContact CG-CG 4.42Å; K85-R107 PolarHBondContact O-NH1 3.47Å; I86-R107 WeakPolarHBondContact O-CD 3.47Å; N103-R107 WeakPolarHBondContact ND2-CD 3.48Å; N103-R107 VanDerWaalsContact O-CB 3.25Å; N103-R107 WeakPolarHBondContact O-CB 3.41Å; N103-R107 WeakPolarHBondContact O-CG 3.2Å; N103-R107 PolarHBondContact O-N 2.79Å; K105-R107 PolarHBondContact O-N 3.14Å; R107-Y109 PolarHBondContact O-N 3.08Å; R107-S110 CarbonylContact O-C 3.55Å; R107-S110 WeakPolarHBondContact O-CA 3.49Å; R107-S110 WeakPolarHBondContact O-CB 3.29Å; R107-S110 PolarHBondContact O-N 2.78Å; R107-G111 PolarHBondContact O-N 3.1Å; R107-M112 HydrophobicContact CB-CB 4.12Å; R107-M112 PolarHBondContact NH1-SD 3.04Å; R107-M112 PolarHBondContact O-N 3.41Å; R107-Y114 PolarHBondContact NH2-O 2.72Å; R107-T115 PolarHBondContact NE-OG1 2.67Å |
| 108 | Y | 90.9 | Very high | 89.4 | Confident | 15 Ų | 15 | 17.3 Ų | 17.3 | 6% | 0.059 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 175.9 | 175.9 | -102.5 | 0 | 0 | 0 | 112.2 | L104 K105 S110 G111 V124 P686 G693 R694 I695 | L104-Y108 WeakPolarHBondContact O-CB 3Å; L104-Y108 PolarHBondContact O-N 3.28Å; K105-Y108 PolarHBondContact O-N 3.46Å; Y108-S110 PolarHBondContact O-N 2.84Å; Y108-S110 VanDerWaalsContact O-N 3.11Å; Y108-G111 PolarHBondContact O-N 2.73Å; Y108-V124 HydrophobicContact CD2-CB 3.98Å; Y108-V124 HydrophobicContact CD2-CG1 3.53Å; Y108-V124 HydrophobicContact CE2-CG1 3.76Å; Y108-V124 HydrophobicContact CG-CG1 4.29Å; Y108-P686 HydrophobicContact CE2-CB 4.21Å; Y108-P686 HydrophobicContact CE2-CG 4.48Å; Y108-G693 PolarHBondContact OH-N 2.9Å; Y108-R694 WeakPolarHBondContact CE1-O 3.38Å; Y108-R694 PolarHBondContact OH-O 3.09Å; Y108-I695 HydrophobicContact CD1-CB 3.89Å; Y108-I695 HydrophobicContact CD1-CD1 4.21Å; Y108-I695 HydrophobicContact CD1-CG2 4.12Å; Y108-I695 HydrophobicContact CE1-CB 3.77Å; Y108-I695 HydrophobicContact CE1-CG2 4.32Å; Y108-I695 HydrophobicContact CG-CD1 4.3Å |
| 109 | Y | 89.5 | Confident | 89.1 | Confident | 135 Ų | 135 | 21.2 Ų | 21.2 | 53% | 0.529 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -12.8 | 174.3 | -72.4 | -54.1 | 0 | 0 | 0 | 114.3 | K105 R107 G693 I695 | K105-Y109 HydrophobicContact CD-CE2 4.34Å; K105-Y109 HydrophobicContact CG-CD2 3.92Å; K105-Y109 HydrophobicContact CG-CE2 3.54Å; K105-Y109 WeakPolarHBondContact O-CD2 3.43Å; K105-Y109 PolarHBondContact O-N 3.01Å; K105-Y109 VanDerWaalsContact O-N 3.1Å; R107-Y109 PolarHBondContact O-N 3.08Å; Y109-G693 WeakPolarHBondContact CE1-O 3.44Å; Y109-I695 HydrophobicContact CE2-CG2 4.03Å |
| 110 | S | 85.7 | Confident | 89.1 | Confident | 29 Ų | 29 | 21.2 Ų | 21.2 | 20% | 0.203 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 9.9 | 174.2 | -50 | 0 | 0 | 0 | 0 | 113.2 | K85 T106 R107 Y108 M112 | K85-S110 VanDerWaalsContact CE-OG 3.31Å; K85-S110 WeakPolarHBondContact CE-OG 3.29Å; K85-S110 PolarHBondContact NZ-OG 3.43Å; T106-S110 PolarHBondContact O-N 3.42Å; T106-S110 PolarHBondContact O-OG 2.82Å; R107-S110 CarbonylContact O-C 3.55Å; R107-S110 WeakPolarHBondContact O-CA 3.49Å; R107-S110 WeakPolarHBondContact O-CB 3.29Å; R107-S110 PolarHBondContact O-N 2.78Å; Y108-S110 PolarHBondContact O-N 2.84Å; Y108-S110 VanDerWaalsContact O-N 3.11Å; S110-M112 PolarHBondContact O-N 2.72Å |
| 111 | G | 85.4 | Confident | 89.2 | Confident | 15 Ų | 15 | 21.2 Ų | 21.2 | 16% | 0.155 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -9.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R107 Y108 I113 L130 | R107-G111 PolarHBondContact O-N 3.1Å; Y108-G111 PolarHBondContact O-N 2.73Å; G111-I113 VanDerWaalsContact C-N 3.33Å; G111-I113 PolarHBondContact O-N 2.66Å; G111-L130 WeakPolarHBondContact O-CD1 3.23Å |
| 112 | M | 89 | Confident | 89.3 | Confident | 13 Ų | 13 | 20.9 Ų | 20.9 | 6% | 0.064 | 11% | 0.105 | C | C | . | . | trans | -79.2 | 73.8 | -177 | -72.4 | -175.1 | -79.1 | 0 | 0 | 111.9 | E15 K85 R107 S110 Y114 | E15-M112 VanDerWaalsContact O-CG 3.27Å; E15-M112 WeakPolarHBondContact O-CG 2.88Å; K85-M112 HydrophobicContact CB-CE 4.15Å; K85-M112 HydrophobicContact CD-CE 3.98Å; K85-M112 HydrophobicContact CG-CE 4.47Å; R107-M112 HydrophobicContact CB-CB 4.12Å; R107-M112 PolarHBondContact NH1-SD 3.04Å; R107-M112 PolarHBondContact O-N 3.41Å; S110-M112 PolarHBondContact O-N 2.72Å; M112-Y114 VanDerWaalsContact C-N 3.33Å; M112-Y114 PolarHBondContact O-N 3.36Å | ||
| 113 | I | 92.1 | Very high | 89.5 | Confident | 6 Ų | 6 | 18.7 Ų | 18.7 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | trans | -67.4 | -25.3 | -173.5 | 61.4 | 172.3 | 0 | 0 | 0 | 115.4 | G111 V123 V124 P126 L130 I132 | G111-I113 VanDerWaalsContact C-N 3.33Å; G111-I113 PolarHBondContact O-N 2.66Å; I113-V123 HydrophobicContact CD1-CG1 4.47Å; I113-V123 WeakPolarHBondContact O-CA 3.16Å; I113-V124 WeakPolarHBondContact CB-O 3.36Å; I113-V124 WeakPolarHBondContact CG2-O 3.03Å; I113-V124 PolarHBondContact O-N 2.67Å; I113-P126 HydrophobicContact CD1-CG 4.09Å; I113-P126 HydrophobicContact CG2-CB 3.86Å; I113-P126 HydrophobicContact CG2-CG 4.07Å; I113-L130 HydrophobicContact CD1-CD1 4.18Å; I113-L130 HydrophobicContact CG1-CD1 4.37Å; I113-L130 HydrophobicContact CG2-CD1 3.95Å; I113-I132 HydrophobicContact CD1-CD1 4.29Å; I113-I132 HydrophobicContact CG1-CD1 4.43Å | ||
| 114 | Y | 94.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 18.6 Ų | 18.6 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 136.3 | -179.7 | -64.7 | -80.7 | 0 | 0 | 0 | 110.9 | R107 M112 V123 I132 Y133 P151 H152 I153 N186 | R107-Y114 PolarHBondContact NH2-O 2.72Å; M112-Y114 VanDerWaalsContact C-N 3.33Å; M112-Y114 PolarHBondContact O-N 3.36Å; Y114-V123 HydrophobicContact CD1-CB 4.29Å; Y114-V123 HydrophobicContact CD1-CG1 3.81Å; Y114-V123 HydrophobicContact CD1-CG2 3.6Å; Y114-V123 HydrophobicContact CE1-CB 4.33Å; Y114-V123 HydrophobicContact CE1-CG1 3.59Å; Y114-V123 HydrophobicContact CE1-CG2 3.73Å; Y114-I132 HydrophobicContact CD2-CD1 4.44Å; Y114-I132 HydrophobicContact CE2-CD1 3.96Å; Y114-Y133 HydrophobicContact CE2-CE1 4.44Å; Y114-Y133 PolarHBondContact OH-OH 2.69Å; Y114-P151 VanDerWaalsContact CB-O 3.31Å; Y114-P151 WeakPolarHBondContact CB-O 3.37Å; Y114-H152 AromaticContact CD2-CD2 3.42Å; Y114-H152 VanDerWaalsContact CD2-CD2 3.42Å; Y114-H152 WeakPolarHBondContact CD2-CD2 3.45Å; Y114-H152 AromaticContact CE2-CD2 3.31Å; Y114-H152 WeakPolarHBondContact CE2-CD2 3.27Å; Y114-H152 AromaticContact CE2-NE2 3.65Å; Y114-I153 HydrophobicContact CD1-CB 4.48Å; Y114-I153 HydrophobicContact CE1-CB 3.65Å; Y114-I153 HydrophobicContact CE1-CG2 4.25Å; Y114-I153 WeakPolarHBondContact OH-CG2 2.95Å; Y114-N186 VanDerWaalsContact CE1-OD1 3.31Å; Y114-N186 WeakPolarHBondContact CE1-OD1 3.33Å; Y114-N186 PolarHBondContact OH-OD1 2.74Å |
| 115 | T | 92.4 | Very high | 89.6 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 133.8 | 176.8 | -52.3 | 0 | 0 | 0 | 0 | 110.3 | M89 L104 R107 C121 V122 | M89-T115 HydrophobicContact CE-CG2 4.22Å; M89-T115 HydrophobicContact CG-CG2 3.82Å; M89-T115 HydrophobicContact SD-CG2 4.09Å; L104-T115 HydrophobicContact CD2-CG2 4.36Å; R107-T115 PolarHBondContact NE-OG1 2.67Å; T115-C121 WeakPolarHBondContact O-CA 3.43Å; T115-C121 PolarHBondContact O-SG 2.77Å; T115-V122 PolarHBondContact N-O 2.66Å; T115-V122 PolarHBondContact O-N 3.46Å |
| 116 | Y | 90.5 | Very high | 89.6 | Confident | 9 Ų | 9 | 19.4 Ų | 19.4 | 4% | 0.035 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 157.2 | 176.2 | -65.3 | -45.2 | 0 | 0 | 0 | 112.1 | K87 D88 M89 C121 R146 P151 A155 | K87-Y116 PolarHBondContact O-N 2.7Å; D88-Y116 WeakPolarHBondContact CA-O 3.4Å; D88-Y116 VanDerWaalsContact CG-CB 3.43Å; D88-Y116 WeakPolarHBondContact OD2-CB 3.47Å; M89-Y116 PolarHBondContact N-O 2.74Å; Y116-C121 HydrophobicContact CD1-CB 4.36Å; Y116-R146 HydrophobicContact CE1-CG 4.02Å; Y116-R146 HydrophobicContact CE2-CG 3.8Å; Y116-R146 WeakPolarHBondContact CE2-O 3.02Å; Y116-R146 VanDerWaalsContact CZ-CG 3.48Å; Y116-R146 WeakPolarHBondContact OH-CG 3.4Å; Y116-R146 PolarHBondContact OH-O 3.44Å; Y116-P151 HydrophobicContact CD1-CB 4.02Å; Y116-P151 HydrophobicContact CD2-CB 4Å; Y116-P151 HydrophobicContact CD2-CG 3.74Å; Y116-P151 HydrophobicContact CE1-CB 3.99Å; Y116-P151 HydrophobicContact CE2-CB 3.97Å; Y116-P151 HydrophobicContact CE2-CG 3.94Å; Y116-P151 HydrophobicContact CG-CB 4Å; Y116-P151 HydrophobicContact CG-CG 4.07Å; Y116-A155 VanDerWaalsContact OH-CB 3.25Å; Y116-A155 WeakPolarHBondContact OH-CB 3.24Å |
| 117 | S | 86.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 67.9 | -178.3 | -65.5 | 0 | 0 | 0 | 0 | 110.1 | M89 L119 F120 | M89-S117 WeakPolarHBondContact CE-OG 3.45Å; S117-L119 PolarHBondContact O-N 2.75Å; S117-F120 VanDerWaalsContact CB-CE2 3.47Å; S117-F120 PolarHBondContact N-O 2.7Å; S117-F120 WeakPolarHBondContact O-CD1 3.28Å; S117-F120 VanDerWaalsContact O-CE1 3.29Å; S117-F120 WeakPolarHBondContact O-CE1 3.05Å; S117-F120 PolarHBondContact O-N 2.8Å |
| 118 | G | 79.1 | Confident | 89.1 | Confident | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | -99.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | D88 R146 | D88-G118 PolarHBondContact OD1-N 2.68Å; G118-R146 VanDerWaalsContact O-CZ 3.24Å; G118-R146 PolarHBondContact O-NH1 2.68Å; G118-R146 PolarHBondContact O-NH2 2.68Å |
| 119 | L | 81.1 | Confident | 88.7 | Confident | 84 Ų | 84 | 36.6 Ų | 36.6 | 44% | 0.44 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -32.2 | 177 | -73.3 | 172.5 | 0 | 0 | 0 | 113.8 | S117 M502 C716 P721 | S117-L119 PolarHBondContact O-N 2.75Å; L119-M502 HydrophobicContact CB-CE 4.16Å; L119-M502 HydrophobicContact CB-SD 4.24Å; L119-M502 HydrophobicContact CD1-CE 4.03Å; L119-M502 HydrophobicContact CD1-SD 4.15Å; L119-C716 PolarHBondContact N-SG 3.45Å; L119-C716 VanDerWaalsContact N-SG 3.42Å; L119-P721 HydrophobicContact CD1-CB 3.94Å; L119-P721 HydrophobicContact CD2-CB 4.11Å; L119-P721 HydrophobicContact CG-CB 4.01Å |
| 120 | F | 88 | Confident | 88.5 | Confident | 5 Ų | 5 | 30.8 Ų | 30.8 | 2% | 0.022 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 176.7 | -172.6 | 62.6 | -85.3 | 0 | 0 | 0 | 113 | S117 V122 F498 M502 F680 R682 V709 I713 | S117-F120 VanDerWaalsContact CB-CE2 3.47Å; S117-F120 PolarHBondContact N-O 2.7Å; S117-F120 WeakPolarHBondContact O-CD1 3.28Å; S117-F120 VanDerWaalsContact O-CE1 3.29Å; S117-F120 WeakPolarHBondContact O-CE1 3.05Å; S117-F120 PolarHBondContact O-N 2.8Å; F120-V122 HydrophobicContact CD2-CG2 4.36Å; F120-V122 HydrophobicContact CE2-CG2 3.96Å; F120-F498 HydrophobicContact CD1-CE2 4.05Å; F120-F498 HydrophobicContact CD1-CZ 4.19Å; F120-F498 HydrophobicContact CE1-CE2 4.38Å; F120-F498 HydrophobicContact CE1-CZ 4.04Å; F120-F498 HydrophobicContact CG-CE2 4.23Å; F120-F498 HydrophobicContact CZ-CZ 4.3Å; F120-M502 HydrophobicContact CD1-CE 4.07Å; F120-M502 HydrophobicContact CD1-SD 4.4Å; F120-M502 HydrophobicContact CE1-CE 4.25Å; F120-F680 HydrophobicContact CB-CB 3.91Å; F120-F680 WeakPolarHBondContact CB-O 3.13Å; F120-R682 HydrophobicContact CD2-CG 3.99Å; F120-R682 HydrophobicContact CE2-CG 4.3Å; F120-V709 HydrophobicContact CE2-CB 4.4Å; F120-V709 HydrophobicContact CE2-CG1 3.94Å; F120-V709 HydrophobicContact CE2-CG2 4.12Å; F120-V709 HydrophobicContact CZ-CB 4.38Å; F120-V709 HydrophobicContact CZ-CG1 4.01Å; F120-V709 HydrophobicContact CZ-CG2 4.49Å; F120-I713 HydrophobicContact CZ-CG1 4.43Å |
| 121 | C | 91.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 138.6 | 176.5 | -172.5 | 0 | 0 | 0 | 0 | 111.8 | T115 Y116 I156 F680 R682 | T115-C121 WeakPolarHBondContact O-CA 3.43Å; T115-C121 PolarHBondContact O-SG 2.77Å; Y116-C121 HydrophobicContact CD1-CB 4.36Å; C121-I156 HydrophobicContact CB-CD1 3.38Å; C121-I156 HydrophobicContact CB-CG1 4.45Å; C121-F680 PolarHBondContact N-O 2.91Å; C121-R682 PolarHBondContact O-N 3.37Å |
| 122 | V | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.6 | 171.5 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | M89 L104 T115 F120 R682 I684 V709 | M89-V122 HydrophobicContact CE-CG2 4.26Å; L104-V122 HydrophobicContact CD1-CG1 4.19Å; L104-V122 HydrophobicContact CD2-CB 4.44Å; L104-V122 HydrophobicContact CD2-CG1 3.97Å; T115-V122 PolarHBondContact N-O 2.66Å; T115-V122 PolarHBondContact O-N 3.46Å; F120-V122 HydrophobicContact CD2-CG2 4.36Å; F120-V122 HydrophobicContact CE2-CG2 3.96Å; V122-R682 CarbonylContact C-O 3.54Å; V122-R682 WeakPolarHBondContact CA-O 3.46Å; V122-R682 HydrophobicContact CG2-CB 4.33Å; V122-I684 HydrophobicContact CG1-CG1 3.77Å; V122-V709 HydrophobicContact CG2-CG1 4.03Å |
| 123 | V | 94.3 | Very high | 88.3 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123.4 | -178.5 | -165.3 | 0 | 0 | 0 | 0 | 109.3 | I113 Y114 V681 R682 C683 I684 | I113-V123 HydrophobicContact CD1-CG1 4.47Å; I113-V123 WeakPolarHBondContact O-CA 3.16Å; Y114-V123 HydrophobicContact CD1-CB 4.29Å; Y114-V123 HydrophobicContact CD1-CG1 3.81Å; Y114-V123 HydrophobicContact CD1-CG2 3.6Å; Y114-V123 HydrophobicContact CE1-CB 4.33Å; Y114-V123 HydrophobicContact CE1-CG1 3.59Å; Y114-V123 HydrophobicContact CE1-CG2 3.73Å; V123-V681 HydrophobicContact CG2-CG1 3.55Å; V123-R682 PolarHBondContact N-O 3.01Å; V123-C683 CarbonylContact O-C 3.6Å; V123-C683 WeakPolarHBondContact O-CA 3.13Å; V123-I684 PolarHBondContact O-N 2.57Å |
| 124 | V | 93.7 | Very high | 87.8 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 121.5 | 175.7 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | L104 Y108 I113 P126 I684 P686 I695 | L104-V124 HydrophobicContact CD2-CG2 4.42Å; Y108-V124 HydrophobicContact CD2-CB 3.98Å; Y108-V124 HydrophobicContact CD2-CG1 3.53Å; Y108-V124 HydrophobicContact CE2-CG1 3.76Å; Y108-V124 HydrophobicContact CG-CG1 4.29Å; I113-V124 WeakPolarHBondContact CB-O 3.36Å; I113-V124 WeakPolarHBondContact CG2-O 3.03Å; I113-V124 PolarHBondContact O-N 2.67Å; V124-P126 WeakPolarHBondContact O-CD 3.2Å; V124-I684 HydrophobicContact CG2-CB 4.39Å; V124-P686 HydrophobicContact CG1-CB 3.84Å; V124-I695 HydrophobicContact CG1-CD1 4.39Å |
| 125 | N | 92.1 | Very high | 87.1 | Confident | 28 Ų | 28 | 38.8 Ų | 38.8 | 15% | 0.15 | 18% | 0.178 | C | C | . | . | trans | -61.4 | 121 | -176.8 | -176.2 | -4.7 | 0 | 0 | 0 | 111.4 | Y127 G180 I684 P686 | N125-Y127 WeakPolarHBondContact ND2-CE1 3.1Å; N125-Y127 PolarHBondContact O-N 3.43Å; N125-Y127 PolarHBondContact OD1-N 3.14Å; N125-G180 PolarHBondContact ND2-O 3.29Å; N125-I684 PolarHBondContact N-O 2.88Å; N125-I684 VanDerWaalsContact N-O 3.12Å; N125-P686 VanDerWaalsContact O-CG 3.29Å; N125-P686 WeakPolarHBondContact O-CG 3.46Å | ||
| 126 | P | 90.2 | Very high | 86.6 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 14% | 0.143 | 21% | 0.21 | C | C | . | . | trans | -76.3 | -16.4 | -180 | 29.1 | -34.5 | 0 | 0 | 0 | 115 | I113 V124 K128 L130 P692 | I113-P126 HydrophobicContact CD1-CG 4.09Å; I113-P126 HydrophobicContact CG2-CB 3.86Å; I113-P126 HydrophobicContact CG2-CG 4.07Å; V124-P126 WeakPolarHBondContact O-CD 3.2Å; P126-K128 HydrophobicContact CB-CB 4.41Å; P126-K128 WeakPolarHBondContact CG-O 3.49Å; P126-K128 PolarHBondContact O-N 3.44Å; P126-L130 HydrophobicContact CB-CD1 4.28Å; P126-L130 HydrophobicContact CG-CD1 4.27Å; P126-L130 HydrophobicContact CG-CG 4.44Å; P126-P692 WeakPolarHBondContact O-CA 3.46Å; P126-P692 VanDerWaalsContact O-CB 3.3Å; P126-P692 WeakPolarHBondContact O-CB 2.91Å | ||
| 127 | Y | 86 | Confident | 86.5 | Confident | 59 Ų | 59 | 45 Ų | 45 | 23% | 0.231 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 50.1 | 21.3 | -164.3 | -64.1 | -65.5 | 0 | 0 | 0 | 114.6 | N125 I685 P686 K690 | N125-Y127 WeakPolarHBondContact ND2-CE1 3.1Å; N125-Y127 PolarHBondContact O-N 3.43Å; N125-Y127 PolarHBondContact OD1-N 3.14Å; Y127-I685 WeakPolarHBondContact OH-CD1 3.39Å; Y127-I685 VanDerWaalsContact OH-CG1 3.29Å; Y127-I685 WeakPolarHBondContact OH-CG1 3.45Å; Y127-P686 HydrophobicContact CD2-CG 3.94Å; Y127-P686 HydrophobicContact CE2-CG 3.65Å; Y127-K690 HydrophobicContact CE1-CB 4.36Å |
| 128 | K | 84.9 | Confident | 86.4 | Confident | 114 Ų | 114 | 45.2 Ų | 45.2 | 50% | 0.496 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -138.6 | 138.6 | -179.3 | 178.8 | -164.9 | 166.9 | -154.4 | 0 | 108.6 | E15 P126 L130 P692 | E15-K128 IonicContact OE1-NZ 2.8Å; E15-K128 PolarHBondContact OE1-NZ 3.13Å; P126-K128 HydrophobicContact CB-CB 4.41Å; P126-K128 WeakPolarHBondContact CG-O 3.49Å; P126-K128 PolarHBondContact O-N 3.44Å; K128-L130 HydrophobicContact CD-CD2 3.77Å; K128-L130 HydrophobicContact CG-CD2 4.26Å; K128-L130 PolarHBondContact O-N 3.43Å; K128-P692 HydrophobicContact CB-CB 4.37Å |
| 129 | R | 82.8 | Confident | 86.8 | Confident | 237 Ų | 237 | 50 Ų | 50 | 89% | 0.894 | 24% | 0.235 | S | C | * | . | trans | -69.3 | 120.2 | 167.9 | -66.9 | -172.8 | 179.3 | -162.3 | 0.9 | 109.2 | ||||
| 130 | L | 84.5 | Confident | 87 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | trans | -102.7 | 137.4 | 176.5 | -58.7 | -180 | 0 | 0 | 0 | 110 | G111 I113 P126 K128 I132 Y133 | G111-L130 WeakPolarHBondContact O-CD1 3.23Å; I113-L130 HydrophobicContact CD1-CD1 4.18Å; I113-L130 HydrophobicContact CG1-CD1 4.37Å; I113-L130 HydrophobicContact CG2-CD1 3.95Å; P126-L130 HydrophobicContact CB-CD1 4.28Å; P126-L130 HydrophobicContact CG-CD1 4.27Å; P126-L130 HydrophobicContact CG-CG 4.44Å; K128-L130 HydrophobicContact CD-CD2 3.77Å; K128-L130 HydrophobicContact CG-CD2 4.26Å; K128-L130 PolarHBondContact O-N 3.43Å; L130-I132 HydrophobicContact CB-CD1 4.05Å; L130-I132 HydrophobicContact CB-CG1 4Å; L130-I132 HydrophobicContact CB-CG2 4.28Å; L130-I132 HydrophobicContact CD1-CD1 4.14Å; L130-I132 PolarHBondContact O-N 2.73Å; L130-Y133 WeakPolarHBondContact O-CD2 3.36Å | ||
| 131 | P | 83.5 | Confident | 87.1 | Confident | 47 Ų | 47 | 49 Ų | 49 | 31% | 0.305 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -74.6 | 58.9 | 176.5 | 33.9 | -39.6 | 0 | 0 | 0 | 112.7 | M12 E15 | M12-P131 HydrophobicContact CE-CB 3.86Å; M12-P131 HydrophobicContact CG-CB 4.29Å; M12-P131 HydrophobicContact CG-CG 4.25Å; E15-P131 WeakPolarHBondContact OE2-CD 3.21Å |
| 132 | I | 86.2 | Confident | 87 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | trans | -122 | 10.1 | -178 | 65.9 | 179.7 | 0 | 0 | 0 | 112.8 | L16 I113 Y114 L130 I137 H152 | L16-I132 HydrophobicContact CD1-CB 4.22Å; L16-I132 HydrophobicContact CD1-CG2 3.96Å; L16-I132 HydrophobicContact CD2-CB 4.25Å; L16-I132 HydrophobicContact CD2-CG2 4.02Å; L16-I132 HydrophobicContact CG-CB 4.38Å; L16-I132 HydrophobicContact CG-CG2 3.79Å; I113-I132 HydrophobicContact CD1-CD1 4.29Å; I113-I132 HydrophobicContact CG1-CD1 4.43Å; Y114-I132 HydrophobicContact CD2-CD1 4.44Å; Y114-I132 HydrophobicContact CE2-CD1 3.96Å; L130-I132 HydrophobicContact CB-CD1 4.05Å; L130-I132 HydrophobicContact CB-CG1 4Å; L130-I132 HydrophobicContact CB-CG2 4.28Å; L130-I132 HydrophobicContact CD1-CD1 4.14Å; L130-I132 PolarHBondContact O-N 2.73Å; I132-I137 WeakPolarHBondContact O-CG2 3.2Å; I132-H152 PolarHBondContact O-CE1 2.77Å; I132-H152 PolarHBondContact O-NE2 2.77Å | ||
| 133 | Y | 86.6 | Confident | 86.6 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -123.8 | 16.9 | -173 | -54.3 | -65.6 | 0 | 0 | 0 | 113.7 | Y114 L130 H152 I153 F154 K189 Q192 | Y114-Y133 HydrophobicContact CE2-CE1 4.44Å; Y114-Y133 PolarHBondContact OH-OH 2.69Å; L130-Y133 WeakPolarHBondContact O-CD2 3.36Å; Y133-H152 AromaticContact CD1-CE1 3.89Å; Y133-H152 AromaticContact CD1-NE2 3.82Å; Y133-H152 AromaticContact CE1-CE1 3.94Å; Y133-H152 AromaticContact CE1-NE2 3.49Å; Y133-H152 WeakPolarHBondContact CE1-NE2 3.27Å; Y133-I153 HydrophobicContact CE1-CG2 4.18Å; Y133-F154 HydrophobicContact CD1-CE1 4.29Å; Y133-F154 HydrophobicContact CD1-CZ 4.05Å; Y133-K189 HydrophobicContact CD1-CB 4.28Å; Y133-K189 HydrophobicContact CD1-CD 3.54Å; Y133-K189 HydrophobicContact CD1-CG 3.71Å; Y133-K189 HydrophobicContact CD2-CD 4.3Å; Y133-K189 HydrophobicContact CE1-CB 4.24Å; Y133-K189 HydrophobicContact CE1-CD 4.05Å; Y133-K189 HydrophobicContact CE1-CG 3.7Å; Y133-K189 HydrophobicContact CG-CD 3.67Å; Y133-K189 VanDerWaalsContact CG-CE 3.44Å; Y133-K189 HydrophobicContact CG-CG 4.25Å; Y133-Q192 PolarHBondContact O-NE2 3.37Å |
| 134 | D | 81.6 | Confident | 86.2 | Confident | 69 Ų | 69 | 58.1 Ų | 58.1 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -84.2 | 162.4 | -175.4 | -56.9 | -12.4 | 0 | 0 | 0 | 110.7 | M12 D136 I137 V138 | M12-D134 WeakPolarHBondContact CE-OD2 3.19Å; D134-D136 VanDerWaalsContact C-N 3.3Å; D134-D136 PolarHBondContact O-N 2.76Å; D134-I137 WeakPolarHBondContact O-CA 3.14Å; D134-I137 WeakPolarHBondContact O-CB 3.46Å; D134-I137 PolarHBondContact O-N 2.65Å; D134-V138 PolarHBondContact O-N 2.74Å; D134-V138 VanDerWaalsContact O-N 3.09Å |
| 135 | E | 79 | Confident | 85.5 | Confident | 76 Ų | 76 | 60 Ų | 60 | 36% | 0.355 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.4 | -37.7 | -174.9 | -61 | -178.9 | 162.5 | 0 | 0 | 113.2 | I137 V138 E139 F220 | E135-I137 PolarHBondContact O-N 2.72Å; E135-V138 WeakPolarHBondContact O-CB 3.42Å; E135-V138 PolarHBondContact O-N 2.54Å; E135-E139 PolarHBondContact O-N 2.72Å; E135-F220 VanDerWaalsContact CD-CD2 3.5Å; E135-F220 HydrophobicContact CG-CD2 4.35Å; E135-F220 WeakPolarHBondContact OE1-CB 3.02Å; E135-F220 WeakPolarHBondContact OE1-CD2 3.43Å; E135-F220 PolarHBondContact OE1-N 2.66Å; E135-F220 WeakPolarHBondContact OE2-CD2 3.01Å |
| 136 | D | 83.8 | Confident | 84.9 | Confident | 127 Ų | 127 | 62.6 Ų | 62.6 | 68% | 0.679 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.2 | -34.8 | 173.6 | -71.4 | -42.5 | 0 | 0 | 0 | 111.7 | D134 W140 | D134-D136 VanDerWaalsContact C-N 3.3Å; D134-D136 PolarHBondContact O-N 2.76Å; D136-W140 VanDerWaalsContact O-CB 3.29Å; D136-W140 WeakPolarHBondContact O-CB 2.98Å; D136-W140 PolarHBondContact O-N 2.79Å |
| 137 | I | 86.7 | Confident | 84.2 | Confident | 13 Ų | 13 | 65.5 Ų | 65.5 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -76.9 | -36.3 | 176.6 | -53.6 | -61.4 | 0 | 0 | 0 | 110.8 | L16 I132 D134 E135 W140 Y141 F154 | L16-I137 HydrophobicContact CD1-CD1 4.06Å; I132-I137 WeakPolarHBondContact O-CG2 3.2Å; D134-I137 WeakPolarHBondContact O-CA 3.14Å; D134-I137 WeakPolarHBondContact O-CB 3.46Å; D134-I137 PolarHBondContact O-N 2.65Å; E135-I137 PolarHBondContact O-N 2.72Å; I137-W140 WeakPolarHBondContact O-CB 3.43Å; I137-W140 PolarHBondContact O-N 2.69Å; I137-Y141 HydrophobicContact CG2-CD2 3.67Å; I137-Y141 HydrophobicContact CG2-CE2 3.61Å; I137-Y141 VanDerWaalsContact O-CD2 3.3Å; I137-Y141 WeakPolarHBondContact O-CD2 3.3Å; I137-Y141 PolarHBondContact O-N 3.08Å; I137-F154 HydrophobicContact CB-CE2 4.44Å; I137-F154 HydrophobicContact CG2-CD2 4.11Å; I137-F154 HydrophobicContact CG2-CE2 4.1Å |
| 138 | V | 86.4 | Confident | 83.9 | Confident | 5 Ų | 5 | 66.3 Ų | 66.3 | 3% | 0.03 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.7 | -51.9 | 174.9 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | D134 E135 W140 Y141 K142 F154 Y193 C196 V197 | D134-V138 PolarHBondContact O-N 2.74Å; D134-V138 VanDerWaalsContact O-N 3.09Å; E135-V138 WeakPolarHBondContact O-CB 3.42Å; E135-V138 PolarHBondContact O-N 2.54Å; V138-W140 VanDerWaalsContact C-N 3.27Å; V138-W140 PolarHBondContact O-N 2.67Å; V138-Y141 PolarHBondContact O-N 2.71Å; V138-K142 WeakPolarHBondContact O-CB 3.11Å; V138-K142 PolarHBondContact O-N 3.34Å; V138-F154 HydrophobicContact CB-CE2 4.49Å; V138-F154 HydrophobicContact CG2-CD2 4.28Å; V138-F154 HydrophobicContact CG2-CE2 3.58Å; V138-F154 HydrophobicContact CG2-CZ 3.91Å; V138-Y193 HydrophobicContact CB-CD2 4.46Å; V138-Y193 HydrophobicContact CB-CE2 4.41Å; V138-Y193 HydrophobicContact CG1-CD2 3.88Å; V138-Y193 HydrophobicContact CG1-CE2 3.79Å; V138-Y193 HydrophobicContact CG2-CD2 4.32Å; V138-C196 HydrophobicContact CG1-CB 4.09Å; V138-V197 HydrophobicContact CG1-CG2 4.2Å |
| 139 | E | 85.7 | Confident | 83.8 | Confident | 103 Ų | 103 | 63.2 Ų | 63.2 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.7 | -29.1 | 176.9 | -162.6 | 69.5 | -159.9 | 0 | 0 | 111.8 | E135 Y141 K142 | E135-E139 PolarHBondContact O-N 2.72Å; E139-Y141 PolarHBondContact O-N 3Å; E139-K142 VanDerWaalsContact CD-CD 3.47Å; E139-K142 WeakPolarHBondContact OE1-CD 3.5Å; E139-K142 IonicContact OE1-NZ 2.88Å; E139-K142 PolarHBondContact OE1-NZ 2.86Å; E139-K142 WeakPolarHBondContact OE2-CD 3.15Å; E139-K142 WeakPolarHBondContact OE2-CE 3.32Å; E139-K142 IonicContact OE2-NZ 3.45Å; E139-K142 PolarHBondContact OE2-NZ 3.01Å |
| 140 | W | 86.5 | Confident | 84 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 25% | 0.246 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.9 | -35.1 | 174.1 | -167.9 | 61.3 | 0 | 0 | 0 | 113 | L16 L17 D136 I137 V138 K144 R149 P150 | L16-W140 HydrophobicContact CD1-CZ3 4.25Å; L17-W140 HydrophobicContact CD1-CH2 4.11Å; L17-W140 HydrophobicContact CD1-CZ2 4.24Å; L17-W140 HydrophobicContact CD2-CH2 4.21Å; L17-W140 HydrophobicContact CG-CH2 4.24Å; D136-W140 VanDerWaalsContact O-CB 3.29Å; D136-W140 WeakPolarHBondContact O-CB 2.98Å; D136-W140 PolarHBondContact O-N 2.79Å; I137-W140 WeakPolarHBondContact O-CB 3.43Å; I137-W140 PolarHBondContact O-N 2.69Å; V138-W140 VanDerWaalsContact C-N 3.27Å; V138-W140 PolarHBondContact O-N 2.67Å; W140-K144 WeakPolarHBondContact O-CG 3.33Å; W140-R149 VanDerWaalsContact CD1-NH2 3.34Å; W140-R149 VanDerWaalsContact O-CZ 3.26Å; W140-R149 PolarHBondContact O-NE 2.76Å; W140-R149 PolarHBondContact O-NH2 2.67Å; W140-P150 VanDerWaalsContact CH2-CD 3.48Å; W140-P150 HydrophobicContact CH2-CG 3.71Å; W140-P150 HydrophobicContact CZ3-CG 3.85Å |
| 141 | Y | 90.4 | Very high | 84.3 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -87.5 | -26.2 | 178.4 | -83 | -79.4 | 0 | 0 | 0 | 114.8 | I137 V138 E139 G143 K144 R149 P150 H152 F154 A155 | I137-Y141 HydrophobicContact CG2-CD2 3.67Å; I137-Y141 HydrophobicContact CG2-CE2 3.61Å; I137-Y141 VanDerWaalsContact O-CD2 3.3Å; I137-Y141 WeakPolarHBondContact O-CD2 3.3Å; I137-Y141 PolarHBondContact O-N 3.08Å; V138-Y141 PolarHBondContact O-N 2.71Å; E139-Y141 PolarHBondContact O-N 3Å; Y141-G143 PolarHBondContact O-N 3.36Å; Y141-K144 VanDerWaalsContact O-CB 3.3Å; Y141-K144 WeakPolarHBondContact O-CB 3.06Å; Y141-K144 WeakPolarHBondContact O-CG 3.46Å; Y141-K144 PolarHBondContact O-N 2.74Å; Y141-R149 HydrophobicContact CD1-CB 3.83Å; Y141-R149 HydrophobicContact CD1-CG 3.94Å; Y141-R149 HydrophobicContact CE1-CB 3.4Å; Y141-R149 HydrophobicContact CE1-CG 3.97Å; Y141-P150 WeakPolarHBondContact CE1-O 3.17Å; Y141-P150 WeakPolarHBondContact OH-CG 3.41Å; Y141-P150 PolarHBondContact OH-O 3.36Å; Y141-H152 HydrophobicContact CE1-CB 3.73Å; Y141-H152 HydrophobicContact CE2-CB 3.85Å; Y141-H152 AromaticContact CE2-CG 3.92Å; Y141-H152 AromaticContact CE2-ND1 3.71Å; Y141-H152 AromaticContact CZ-CG 3.94Å; Y141-H152 VanDerWaalsContact OH-CB 3.27Å; Y141-H152 WeakPolarHBondContact OH-CB 3.38Å; Y141-F154 HydrophobicContact CD1-CB 4.48Å; Y141-F154 HydrophobicContact CD2-CB 4.04Å; Y141-F154 AromaticContact CD2-CD2 3.98Å; Y141-F154 HydrophobicContact CD2-CD2 3.98Å; Y141-F154 HydrophobicContact CG-CB 3.9Å; Y141-A155 HydrophobicContact CD1-CB 3.81Å; Y141-A155 HydrophobicContact CE1-CB 3.92Å |
| 142 | K | 89.2 | Confident | 84.7 | Confident | 80 Ų | 80 | 49.4 Ų | 49.4 | 35% | 0.348 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 116.7 | -174 | -171 | -178.8 | 179.9 | -172.3 | 0 | 114.3 | V138 E139 K144 Y193 V197 | V138-K142 WeakPolarHBondContact O-CB 3.11Å; V138-K142 PolarHBondContact O-N 3.34Å; E139-K142 VanDerWaalsContact CD-CD 3.47Å; E139-K142 WeakPolarHBondContact OE1-CD 3.5Å; E139-K142 IonicContact OE1-NZ 2.88Å; E139-K142 PolarHBondContact OE1-NZ 2.86Å; E139-K142 WeakPolarHBondContact OE2-CD 3.15Å; E139-K142 WeakPolarHBondContact OE2-CE 3.32Å; E139-K142 IonicContact OE2-NZ 3.45Å; E139-K142 PolarHBondContact OE2-NZ 3.01Å; K142-K144 VanDerWaalsContact C-N 3.26Å; K142-K144 PolarHBondContact O-N 2.69Å; K142-Y193 WeakPolarHBondContact CA-OH 3.45Å; K142-Y193 PolarHBondContact N-OH 2.69Å; K142-V197 HydrophobicContact CG-CG1 4.41Å; K142-V197 HydrophobicContact CG-CG2 4.24Å |
| 143 | G | 84.3 | Confident | 85.1 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 42% | 0.423 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 16.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y141 D158 R162 | Y141-G143 PolarHBondContact O-N 3.36Å; G143-D158 WeakPolarHBondContact CA-OD2 3.11Å; G143-D158 VanDerWaalsContact N-CG 3.32Å; G143-D158 PolarHBondContact N-OD1 3.27Å; G143-D158 PolarHBondContact N-OD2 3.19Å; G143-R162 PolarHBondContact O-NH1 2.63Å |
| 144 | K | 85.5 | Confident | 85.4 | Confident | 74 Ų | 74 | 47.4 Ų | 47.4 | 32% | 0.322 | 23% | 0.228 | S | C | . | . | trans | -94.4 | 126.1 | -174.6 | -61.7 | -70.1 | 154.2 | -160.2 | 0 | 111.7 | W140 Y141 K142 E148 R149 D158 R162 | W140-K144 WeakPolarHBondContact O-CG 3.33Å; Y141-K144 VanDerWaalsContact O-CB 3.3Å; Y141-K144 WeakPolarHBondContact O-CB 3.06Å; Y141-K144 WeakPolarHBondContact O-CG 3.46Å; Y141-K144 PolarHBondContact O-N 2.74Å; K142-K144 VanDerWaalsContact C-N 3.26Å; K142-K144 PolarHBondContact O-N 2.69Å; K144-E148 HydrophobicContact CB-CB 4.47Å; K144-E148 WeakPolarHBondContact CD-OE2 3.38Å; K144-E148 IonicContact NZ-OE2 2.75Å; K144-R149 HydrophobicContact CB-CG 3.84Å; K144-R149 HydrophobicContact CG-CG 4.31Å; K144-D158 PolarHBondContact N-OD2 2.83Å; K144-R162 PolarHBondContact O-NH2 2.77Å | ||
| 145 | K | 80 | Confident | 85.9 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 19% | 0.187 | 21% | 0.213 | C | C | . | . | trans | -57.7 | 145.1 | 179.9 | -58.2 | 176.5 | -167.4 | -174.5 | 0 | 109.7 | H147 E148 E784 D788 | K145-H147 VanDerWaalsContact CB-CE1 3.43Å; K145-H147 WeakPolarHBondContact CB-CE1 3.38Å; K145-H147 PolarHBondContact O-N 3.28Å; K145-E148 HydrophobicContact CB-CG 4.16Å; K145-E148 VanDerWaalsContact CB-OE1 3.26Å; K145-E148 WeakPolarHBondContact CB-OE1 3.46Å; K145-E148 WeakPolarHBondContact CG-OE1 3.41Å; K145-E148 PolarHBondContact N-OE1 2.74Å; K145-E148 WeakPolarHBondContact O-CB 3.01Å; K145-E148 PolarHBondContact O-N 2.7Å; K145-E784 IonicContact NZ-OE2 2.71Å; K145-E784 PolarHBondContact NZ-OE2 2.62Å; K145-D788 WeakPolarHBondContact CE-OD2 3.29Å; K145-D788 IonicContact NZ-OD2 3.28Å; K145-D788 PolarHBondContact NZ-OD2 2.58Å | ||
| 146 | R | 79.2 | Confident | 86.6 | Confident | 81 Ų | 81 | 41.7 Ų | 41.7 | 31% | 0.306 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -27.1 | -166.6 | -175.4 | 178.6 | 152.6 | -155.8 | -19.9 | 115.1 | D88 Y116 G118 | D88-R146 IonicContact OD2-NH2 2.62Å; D88-R146 PolarHBondContact OD2-NH2 2.76Å; Y116-R146 HydrophobicContact CE1-CG 4.02Å; Y116-R146 HydrophobicContact CE2-CG 3.8Å; Y116-R146 WeakPolarHBondContact CE2-O 3.02Å; Y116-R146 VanDerWaalsContact CZ-CG 3.48Å; Y116-R146 WeakPolarHBondContact OH-CG 3.4Å; Y116-R146 PolarHBondContact OH-O 3.44Å; G118-R146 VanDerWaalsContact O-CZ 3.24Å; G118-R146 PolarHBondContact O-NH1 2.68Å; G118-R146 PolarHBondContact O-NH2 2.68Å |
| 147 | H | 75.9 | Confident | 87 | Confident | 84 Ų | 84 | 35.7 Ų | 35.7 | 39% | 0.389 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -26.1 | 179.7 | 53.1 | -96.5 | 0 | 0 | 0 | 114.5 | K145 R149 A781 | K145-H147 VanDerWaalsContact CB-CE1 3.43Å; K145-H147 WeakPolarHBondContact CB-CE1 3.38Å; K145-H147 PolarHBondContact O-N 3.28Å; H147-R149 PolarHBondContact O-N 3.19Å; H147-R149 VanDerWaalsContact O-N 3.16Å; H147-A781 VanDerWaalsContact CE1-CB 3.43Å; H147-A781 WeakPolarHBondContact CE1-CB 3.32Å; H147-A781 WeakPolarHBondContact ND1-CB 3.28Å |
| 148 | E | 78.6 | Confident | 87.3 | Confident | 75 Ų | 75 | 35.2 Ų | 35.2 | 35% | 0.35 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.3 | 179.6 | -67.6 | 177.9 | -124.3 | 0 | 0 | 112.7 | K144 K145 | K144-E148 HydrophobicContact CB-CB 4.47Å; K144-E148 WeakPolarHBondContact CD-OE2 3.38Å; K144-E148 IonicContact NZ-OE2 2.75Å; K145-E148 HydrophobicContact CB-CG 4.16Å; K145-E148 VanDerWaalsContact CB-OE1 3.26Å; K145-E148 WeakPolarHBondContact CB-OE1 3.46Å; K145-E148 WeakPolarHBondContact CG-OE1 3.41Å; K145-E148 PolarHBondContact N-OE1 2.74Å; K145-E148 WeakPolarHBondContact O-CB 3.01Å; K145-E148 PolarHBondContact O-N 2.7Å |
| 149 | R | 83.4 | Confident | 87.5 | Confident | 49 Ų | 49 | 36.2 Ų | 36.2 | 19% | 0.185 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -120.9 | 160.5 | -174.8 | -64.9 | -57.9 | -170.7 | -124.4 | 5.1 | 111.7 | W140 Y141 K144 H147 | W140-R149 VanDerWaalsContact CD1-NH2 3.34Å; W140-R149 VanDerWaalsContact O-CZ 3.26Å; W140-R149 PolarHBondContact O-NE 2.76Å; W140-R149 PolarHBondContact O-NH2 2.67Å; Y141-R149 HydrophobicContact CD1-CB 3.83Å; Y141-R149 HydrophobicContact CD1-CG 3.94Å; Y141-R149 HydrophobicContact CE1-CB 3.4Å; Y141-R149 HydrophobicContact CE1-CG 3.97Å; K144-R149 HydrophobicContact CB-CG 3.84Å; K144-R149 HydrophobicContact CG-CG 4.31Å; H147-R149 PolarHBondContact O-N 3.19Å; H147-R149 VanDerWaalsContact O-N 3.16Å |
| 150 | P | 86.6 | Confident | 87.8 | Confident | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.032 | 16% | 0.155 | C | C | . | . | trans | -66.9 | 165.7 | 167.8 | 25.2 | -26.5 | 0 | 0 | 0 | 110.9 | L16 L17 W140 Y141 H152 | L16-P150 HydrophobicContact CB-CG 4.31Å; L16-P150 WeakPolarHBondContact O-CB 3.47Å; L16-P150 WeakPolarHBondContact O-CG 3.31Å; L17-P150 HydrophobicContact CD2-CB 4.41Å; L17-P150 HydrophobicContact CD2-CG 3.88Å; L17-P150 HydrophobicContact CG-CG 4.49Å; W140-P150 VanDerWaalsContact CH2-CD 3.48Å; W140-P150 HydrophobicContact CH2-CG 3.71Å; W140-P150 HydrophobicContact CZ3-CG 3.85Å; Y141-P150 WeakPolarHBondContact CE1-O 3.17Å; Y141-P150 WeakPolarHBondContact OH-CG 3.41Å; Y141-P150 PolarHBondContact OH-O 3.36Å; P150-H152 PolarHBondContact O-N 2.73Å | ||
| 151 | P | 91.1 | Very high | 88.1 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -63.5 | 132.5 | 177.4 | -17.1 | 30 | 0 | 0 | 0 | 111.1 | K87 Y114 Y116 | K87-P151 HydrophobicContact CB-CG 4.03Å; K87-P151 WeakPolarHBondContact O-CG 3.05Å; Y114-P151 VanDerWaalsContact CB-O 3.31Å; Y114-P151 WeakPolarHBondContact CB-O 3.37Å; Y116-P151 HydrophobicContact CD1-CB 4.02Å; Y116-P151 HydrophobicContact CD2-CB 4Å; Y116-P151 HydrophobicContact CD2-CG 3.74Å; Y116-P151 HydrophobicContact CE1-CB 3.99Å; Y116-P151 HydrophobicContact CE2-CB 3.97Å; Y116-P151 HydrophobicContact CE2-CG 3.94Å; Y116-P151 HydrophobicContact CG-CB 4Å; Y116-P151 HydrophobicContact CG-CG 4.07Å |
| 152 | H | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -160.8 | 154.1 | 175.9 | -166.3 | -121.2 | 0 | 0 | 0 | 110.9 | Y114 I132 Y133 Y141 P150 F154 A155 | Y114-H152 AromaticContact CD2-CD2 3.42Å; Y114-H152 VanDerWaalsContact CD2-CD2 3.42Å; Y114-H152 WeakPolarHBondContact CD2-CD2 3.45Å; Y114-H152 AromaticContact CE2-CD2 3.31Å; Y114-H152 WeakPolarHBondContact CE2-CD2 3.27Å; Y114-H152 AromaticContact CE2-NE2 3.65Å; I132-H152 PolarHBondContact O-CE1 2.77Å; I132-H152 PolarHBondContact O-NE2 2.77Å; Y133-H152 AromaticContact CD1-CE1 3.89Å; Y133-H152 AromaticContact CD1-NE2 3.82Å; Y133-H152 AromaticContact CE1-CE1 3.94Å; Y133-H152 AromaticContact CE1-NE2 3.49Å; Y133-H152 WeakPolarHBondContact CE1-NE2 3.27Å; Y141-H152 HydrophobicContact CE1-CB 3.73Å; Y141-H152 HydrophobicContact CE2-CB 3.85Å; Y141-H152 AromaticContact CE2-CG 3.92Å; Y141-H152 AromaticContact CE2-ND1 3.71Å; Y141-H152 AromaticContact CZ-CG 3.94Å; Y141-H152 VanDerWaalsContact OH-CB 3.27Å; Y141-H152 WeakPolarHBondContact OH-CB 3.38Å; P150-H152 PolarHBondContact O-N 2.73Å; H152-F154 AromaticContact CE1-CD1 3.91Å; H152-F154 AromaticContact CE1-CD2 3.47Å; H152-F154 VanDerWaalsContact CE1-CD2 3.47Å; H152-F154 WeakPolarHBondContact CE1-CD2 3.42Å; H152-F154 AromaticContact CE1-CE2 3.71Å; H152-F154 AromaticContact CE1-CG 3.57Å; H152-F154 WeakPolarHBondContact ND1-CB 3.41Å; H152-F154 AromaticContact ND1-CD1 3.97Å; H152-F154 AromaticContact ND1-CD2 3.42Å; H152-F154 WeakPolarHBondContact ND1-CD2 3.07Å; H152-F154 AromaticContact ND1-CG 3.3Å; H152-F154 VanDerWaalsContact ND1-CG 3.3Å; H152-F154 WeakPolarHBondContact ND1-CG 3.31Å; H152-F154 PolarHBondContact ND1-N 3.45Å; H152-F154 PolarHBondContact O-N 2.65Å; H152-A155 WeakPolarHBondContact O-CB 3.38Å; H152-A155 PolarHBondContact O-N 3.2Å | ||
| 153 | I | 93.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.9 | -35.1 | 177.4 | -169 | 63.1 | 0 | 0 | 0 | 112.6 | Y114 Y133 A155 I156 A157 N186 K189 V190 V681 | Y114-I153 HydrophobicContact CD1-CB 4.48Å; Y114-I153 HydrophobicContact CE1-CB 3.65Å; Y114-I153 HydrophobicContact CE1-CG2 4.25Å; Y114-I153 WeakPolarHBondContact OH-CG2 2.95Å; Y133-I153 HydrophobicContact CE1-CG2 4.18Å; I153-A155 VanDerWaalsContact C-N 3.32Å; I153-A155 PolarHBondContact O-N 2.73Å; I153-I156 HydrophobicContact CD1-CD1 4.33Å; I153-I156 WeakPolarHBondContact O-CB 3.49Å; I153-I156 PolarHBondContact O-N 2.77Å; I153-I156 VanDerWaalsContact O-N 3.16Å; I153-A157 PolarHBondContact O-N 3.12Å; I153-A157 VanDerWaalsContact O-N 3.08Å; I153-N186 HydrophobicContact CD1-CB 4.38Å; I153-K189 HydrophobicContact CG2-CB 3.86Å; I153-V190 HydrophobicContact CD1-CG2 3.67Å; I153-V190 HydrophobicContact CG1-CG2 3.58Å; I153-V681 HydrophobicContact CD1-CG1 4.36Å; I153-V681 HydrophobicContact CD1-CG2 4.07Å |
| 154 | F | 94.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.1 | -34.7 | 176 | -64.9 | -10.1 | 0 | 0 | 0 | 113.1 | Y133 I137 V138 Y141 H152 I156 A157 D158 K189 Y193 | Y133-F154 HydrophobicContact CD1-CE1 4.29Å; Y133-F154 HydrophobicContact CD1-CZ 4.05Å; I137-F154 HydrophobicContact CB-CE2 4.44Å; I137-F154 HydrophobicContact CG2-CD2 4.11Å; I137-F154 HydrophobicContact CG2-CE2 4.1Å; V138-F154 HydrophobicContact CB-CE2 4.49Å; V138-F154 HydrophobicContact CG2-CD2 4.28Å; V138-F154 HydrophobicContact CG2-CE2 3.58Å; V138-F154 HydrophobicContact CG2-CZ 3.91Å; Y141-F154 HydrophobicContact CD1-CB 4.48Å; Y141-F154 HydrophobicContact CD2-CB 4.04Å; Y141-F154 AromaticContact CD2-CD2 3.98Å; Y141-F154 HydrophobicContact CD2-CD2 3.98Å; Y141-F154 HydrophobicContact CG-CB 3.9Å; H152-F154 AromaticContact CE1-CD1 3.91Å; H152-F154 AromaticContact CE1-CD2 3.47Å; H152-F154 VanDerWaalsContact CE1-CD2 3.47Å; H152-F154 WeakPolarHBondContact CE1-CD2 3.42Å; H152-F154 AromaticContact CE1-CE2 3.71Å; H152-F154 AromaticContact CE1-CG 3.57Å; H152-F154 WeakPolarHBondContact ND1-CB 3.41Å; H152-F154 AromaticContact ND1-CD1 3.97Å; H152-F154 AromaticContact ND1-CD2 3.42Å; H152-F154 WeakPolarHBondContact ND1-CD2 3.07Å; H152-F154 AromaticContact ND1-CG 3.3Å; H152-F154 VanDerWaalsContact ND1-CG 3.3Å; H152-F154 WeakPolarHBondContact ND1-CG 3.31Å; H152-F154 PolarHBondContact ND1-N 3.45Å; H152-F154 PolarHBondContact O-N 2.65Å; F154-I156 VanDerWaalsContact C-N 3.28Å; F154-I156 PolarHBondContact O-N 2.77Å; F154-A157 PolarHBondContact O-N 2.82Å; F154-D158 VanDerWaalsContact O-CB 3.27Å; F154-D158 WeakPolarHBondContact O-CB 3.39Å; F154-D158 PolarHBondContact O-N 3.2Å; F154-K189 HydrophobicContact CE1-CB 4.27Å; F154-K189 WeakPolarHBondContact CE1-O 3.39Å; F154-Y193 HydrophobicContact CB-CD2 3.53Å; F154-Y193 HydrophobicContact CB-CE2 3.58Å; F154-Y193 HydrophobicContact CB-CG 4.12Å; F154-Y193 AromaticContact CD1-CD2 3.47Å; F154-Y193 HydrophobicContact CD1-CD2 3.47Å; F154-Y193 VanDerWaalsContact CD1-CD2 3.47Å; F154-Y193 HydrophobicContact CD1-CE2 4.37Å; F154-Y193 AromaticContact CD1-CG 3.8Å; F154-Y193 HydrophobicContact CD1-CG 3.8Å; F154-Y193 AromaticContact CD2-CD2 3.71Å; F154-Y193 HydrophobicContact CD2-CD2 3.71Å; F154-Y193 AromaticContact CD2-CE2 4Å; F154-Y193 HydrophobicContact CD2-CE2 4Å; F154-Y193 HydrophobicContact CE1-CD2 4.04Å; F154-Y193 HydrophobicContact CE1-CG 4.42Å; F154-Y193 HydrophobicContact CE2-CD2 4.26Å; F154-Y193 AromaticContact CG-CD2 3.28Å; F154-Y193 HydrophobicContact CG-CD2 3.28Å; F154-Y193 AromaticContact CG-CE2 3.75Å; F154-Y193 HydrophobicContact CG-CE2 3.75Å; F154-Y193 HydrophobicContact CG-CG 4Å; F154-Y193 HydrophobicContact CZ-CD2 4.41Å |
| 155 | A | 92 | Very high | 88.6 | Confident | 5 Ų | 5 | 29 Ų | 29 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.7 | -25.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y116 Y141 H152 I153 G159 | Y116-A155 VanDerWaalsContact OH-CB 3.25Å; Y116-A155 WeakPolarHBondContact OH-CB 3.24Å; Y141-A155 HydrophobicContact CD1-CB 3.81Å; Y141-A155 HydrophobicContact CE1-CB 3.92Å; H152-A155 WeakPolarHBondContact O-CB 3.38Å; H152-A155 PolarHBondContact O-N 3.2Å; I153-A155 VanDerWaalsContact C-N 3.32Å; I153-A155 PolarHBondContact O-N 2.73Å; A155-G159 PolarHBondContact O-N 2.77Å; A155-G159 VanDerWaalsContact O-N 3.08Å |
| 156 | I | 92.5 | Very high | 88.9 | Confident | 21 Ų | 21 | 32 Ų | 32 | 11% | 0.108 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -77.5 | -44.5 | 174.8 | -52.4 | 173.8 | 0 | 0 | 0 | 109.4 | C121 I153 F154 G159 A160 N679 V681 | C121-I156 HydrophobicContact CB-CD1 3.38Å; C121-I156 HydrophobicContact CB-CG1 4.45Å; I153-I156 HydrophobicContact CD1-CD1 4.33Å; I153-I156 WeakPolarHBondContact O-CB 3.49Å; I153-I156 PolarHBondContact O-N 2.77Å; I153-I156 VanDerWaalsContact O-N 3.16Å; F154-I156 VanDerWaalsContact C-N 3.28Å; F154-I156 PolarHBondContact O-N 2.77Å; I156-G159 PolarHBondContact O-N 2.76Å; I156-A160 PolarHBondContact O-N 3.42Å; I156-N679 HydrophobicContact CG2-CB 4.28Å; I156-V681 HydrophobicContact CD1-CG2 3.93Å; I156-V681 HydrophobicContact CG2-CG2 4.5Å |
| 157 | A | 93.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I153 F154 G159 Y161 V190 Y193 | I153-A157 PolarHBondContact O-N 3.12Å; I153-A157 VanDerWaalsContact O-N 3.08Å; F154-A157 PolarHBondContact O-N 2.82Å; A157-G159 VanDerWaalsContact C-N 3.3Å; A157-G159 PolarHBondContact O-N 2.95Å; A157-Y161 WeakPolarHBondContact O-CB 3.42Å; A157-Y161 PolarHBondContact O-N 2.77Å; A157-V190 HydrophobicContact CB-CG1 4.16Å; A157-Y193 HydrophobicContact CB-CD1 3.58Å; A157-Y193 HydrophobicContact CB-CE1 4.26Å; A157-Y193 HydrophobicContact CB-CG 4.24Å |
| 158 | D | 93 | Very high | 89.6 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.016 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.1 | -26.1 | 174.9 | -168.8 | 75.8 | 0 | 0 | 0 | 113.2 | G143 K144 F154 R162 Y193 | G143-D158 WeakPolarHBondContact CA-OD2 3.11Å; G143-D158 VanDerWaalsContact N-CG 3.32Å; G143-D158 PolarHBondContact N-OD1 3.27Å; G143-D158 PolarHBondContact N-OD2 3.19Å; K144-D158 PolarHBondContact N-OD2 2.83Å; F154-D158 VanDerWaalsContact O-CB 3.27Å; F154-D158 WeakPolarHBondContact O-CB 3.39Å; F154-D158 PolarHBondContact O-N 3.2Å; D158-R162 WeakPolarHBondContact O-CB 3.24Å; D158-R162 WeakPolarHBondContact O-CG 3.04Å; D158-R162 PolarHBondContact O-N 3.43Å; D158-R162 PolarHBondContact O-NE 2.89Å; D158-R162 IonicContact OD2-CZ 2.7Å; D158-R162 IonicContact OD2-NE 2.67Å; D158-R162 PolarHBondContact OD2-NE 2.71Å; D158-R162 IonicContact OD2-NH1 2.6Å; D158-R162 IonicContact OD2-NH2 3.66Å; D158-R162 PolarHBondContact OD2-NH2 3.13Å; D158-Y193 HydrophobicContact CB-CE1 3.67Å; D158-Y193 WeakPolarHBondContact CB-OH 3.49Å; D158-Y193 PolarHBondContact OD1-OH 2.7Å |
| 159 | G | 90.2 | Very high | 90.1 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 27% | 0.268 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68 | -59.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A155 I156 A157 Y161 R162 S163 | A155-G159 PolarHBondContact O-N 2.77Å; A155-G159 VanDerWaalsContact O-N 3.08Å; I156-G159 PolarHBondContact O-N 2.76Å; A157-G159 VanDerWaalsContact C-N 3.3Å; A157-G159 PolarHBondContact O-N 2.95Å; G159-Y161 VanDerWaalsContact C-N 3.33Å; G159-Y161 PolarHBondContact O-N 3.21Å; G159-R162 PolarHBondContact O-N 2.85Å; G159-R162 VanDerWaalsContact O-N 3.11Å; G159-S163 PolarHBondContact O-N 2.89Å |
| 160 | A | 92.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.008 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.5 | -44.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | I156 R162 S163 M164 Q171 I173 | I156-A160 PolarHBondContact O-N 3.42Å; A160-R162 VanDerWaalsContact C-N 3.32Å; A160-R162 PolarHBondContact O-N 3.35Å; A160-S163 PolarHBondContact O-N 2.71Å; A160-M164 WeakPolarHBondContact O-CB 2.98Å; A160-M164 PolarHBondContact O-N 3.5Å; A160-Q171 HydrophobicContact CB-CB 4.35Å; A160-I173 HydrophobicContact CB-CD1 4.12Å; A160-I173 HydrophobicContact CB-CG1 4.28Å |
| 161 | Y | 93.4 | Very high | 90.9 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 10% | 0.098 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.5 | -38.9 | 176.5 | 176.5 | -112.5 | 0 | 0 | 0 | 112.7 | A157 G159 M164 L165 L194 V197 A198 F261 G265 | A157-Y161 WeakPolarHBondContact O-CB 3.42Å; A157-Y161 PolarHBondContact O-N 2.77Å; G159-Y161 VanDerWaalsContact C-N 3.33Å; G159-Y161 PolarHBondContact O-N 3.21Å; Y161-M164 HydrophobicContact CD2-CE 3.99Å; Y161-M164 HydrophobicContact CE2-CE 4.16Å; Y161-L165 HydrophobicContact CD1-CD1 4.27Å; Y161-L165 HydrophobicContact CE1-CD1 3.78Å; Y161-L165 HydrophobicContact CE2-CD1 4.06Å; Y161-L165 WeakPolarHBondContact O-CG 3.42Å; Y161-L165 PolarHBondContact O-N 2.77Å; Y161-L194 HydrophobicContact CD2-CD2 4.38Å; Y161-L194 HydrophobicContact CG-CD2 4.37Å; Y161-V197 HydrophobicContact CD1-CG1 4.27Å; Y161-V197 HydrophobicContact CE1-CG1 3.89Å; Y161-A198 HydrophobicContact CE2-CB 4.08Å; Y161-F261 HydrophobicContact CD2-CE1 4.13Å; Y161-F261 HydrophobicContact CD2-CZ 4.44Å; Y161-F261 HydrophobicContact CE2-CD1 4.2Å; Y161-F261 AromaticContact CE2-CE1 3.93Å; Y161-F261 HydrophobicContact CE2-CE1 3.93Å; Y161-G265 WeakPolarHBondContact CE2-O 3.47Å; Y161-G265 PolarHBondContact OH-O 3.11Å; Y161-G265 VanDerWaalsContact OH-O 3.05Å |
| 162 | R | 90.3 | Very high | 91.1 | Very high | 72 Ų | 72 | 39.7 Ų | 39.7 | 27% | 0.272 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -75 | -37.1 | 175.6 | -78.2 | -179.9 | -67.2 | 168.7 | -3.3 | 113.5 | G143 K144 D158 G159 A160 L165 Q166 | G143-R162 PolarHBondContact O-NH1 2.63Å; K144-R162 PolarHBondContact O-NH2 2.77Å; D158-R162 WeakPolarHBondContact O-CB 3.24Å; D158-R162 WeakPolarHBondContact O-CG 3.04Å; D158-R162 PolarHBondContact O-N 3.43Å; D158-R162 PolarHBondContact O-NE 2.89Å; D158-R162 IonicContact OD2-CZ 2.7Å; D158-R162 IonicContact OD2-NE 2.67Å; D158-R162 PolarHBondContact OD2-NE 2.71Å; D158-R162 IonicContact OD2-NH1 2.6Å; D158-R162 IonicContact OD2-NH2 3.66Å; D158-R162 PolarHBondContact OD2-NH2 3.13Å; G159-R162 PolarHBondContact O-N 2.85Å; G159-R162 VanDerWaalsContact O-N 3.11Å; A160-R162 VanDerWaalsContact C-N 3.32Å; A160-R162 PolarHBondContact O-N 3.35Å; R162-L165 PolarHBondContact O-N 2.75Å; R162-Q166 WeakPolarHBondContact O-CB 3.34Å; R162-Q166 PolarHBondContact O-N 3.18Å |
| 163 | S | 88.5 | Confident | 91.2 | Very high | 41 Ų | 41 | 39.7 Ų | 39.7 | 29% | 0.287 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.9 | -46.1 | 172.5 | -96 | 0 | 0 | 0 | 0 | 111.5 | G159 A160 L165 Q166 D167 | G159-S163 PolarHBondContact O-N 2.89Å; A160-S163 PolarHBondContact O-N 2.71Å; S163-L165 PolarHBondContact O-N 3.41Å; S163-L165 VanDerWaalsContact O-N 3.17Å; S163-Q166 PolarHBondContact O-N 3.46Å; S163-D167 VanDerWaalsContact CA-OD2 3.27Å; S163-D167 WeakPolarHBondContact CA-OD2 3.25Å; S163-D167 WeakPolarHBondContact CB-OD2 3.45Å; S163-D167 VanDerWaalsContact O-CB 3.24Å; S163-D167 WeakPolarHBondContact O-CB 3.04Å; S163-D167 VanDerWaalsContact O-CG 3.27Å; S163-D167 PolarHBondContact O-N 3.27Å; S163-D167 PolarHBondContact OG-OD2 2.7Å |
| 164 | M | 92.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.2 | -39.2 | 173.1 | -172.2 | -164.9 | 70.1 | 0 | 0 | 112.7 | A160 Y161 R168 Q171 F261 S464 V466 | A160-M164 WeakPolarHBondContact O-CB 2.98Å; A160-M164 PolarHBondContact O-N 3.5Å; Y161-M164 HydrophobicContact CD2-CE 3.99Å; Y161-M164 HydrophobicContact CE2-CE 4.16Å; M164-R168 VanDerWaalsContact O-CA 3.29Å; M164-R168 WeakPolarHBondContact O-CA 3.15Å; M164-R168 PolarHBondContact O-N 3.13Å; M164-Q171 HydrophobicContact CB-CG 3.78Å; M164-Q171 HydrophobicContact CG-CG 4.5Å; M164-F261 HydrophobicContact CE-CB 3.85Å; M164-F261 HydrophobicContact CE-CD1 4.04Å; M164-F261 HydrophobicContact CE-CD2 3.72Å; M164-F261 HydrophobicContact CE-CE2 4.27Å; M164-F261 HydrophobicContact CE-CG 3.59Å; M164-F261 HydrophobicContact SD-CB 4.28Å; M164-F261 HydrophobicContact SD-CD2 3.47Å; M164-F261 WeakPolarHBondContact SD-CD2 3.46Å; M164-F261 HydrophobicContact SD-CE2 3.97Å; M164-F261 HydrophobicContact SD-CG 3.97Å; M164-S464 VanDerWaalsContact CG-OG 3.3Å; M164-S464 WeakPolarHBondContact CG-OG 2.94Å; M164-S464 PolarHBondContact SD-OG 3.15Å; M164-V466 HydrophobicContact SD-CG2 3.79Å |
| 165 | L | 89 | Confident | 91.1 | Very high | 74 Ų | 74 | 39.8 Ų | 39.8 | 39% | 0.387 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -80.3 | -31.3 | 179.7 | -68.4 | 174.4 | 0 | 0 | 0 | 114.5 | Y161 R162 S163 | Y161-L165 HydrophobicContact CD1-CD1 4.27Å; Y161-L165 HydrophobicContact CE1-CD1 3.78Å; Y161-L165 HydrophobicContact CE2-CD1 4.06Å; Y161-L165 WeakPolarHBondContact O-CG 3.42Å; Y161-L165 PolarHBondContact O-N 2.77Å; R162-L165 PolarHBondContact O-N 2.75Å; S163-L165 PolarHBondContact O-N 3.41Å; S163-L165 VanDerWaalsContact O-N 3.17Å |
| 166 | Q | 85.7 | Confident | 90.9 | Very high | 104 Ų | 104 | 40 Ų | 40 | 49% | 0.486 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -81.4 | -52.4 | 179.2 | -172.6 | -170.1 | -101.1 | 0 | 0 | 110.8 | R162 S163 | R162-Q166 WeakPolarHBondContact O-CB 3.34Å; R162-Q166 PolarHBondContact O-N 3.18Å; S163-Q166 PolarHBondContact O-N 3.46Å |
| 167 | D | 84.2 | Confident | 90.6 | Very high | 69 Ų | 69 | 39 Ų | 39 | 37% | 0.369 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -88 | -21.4 | -167.1 | -45.8 | -35.1 | 0 | 0 | 0 | 111 | S163 E169 | S163-D167 VanDerWaalsContact CA-OD2 3.27Å; S163-D167 WeakPolarHBondContact CA-OD2 3.25Å; S163-D167 WeakPolarHBondContact CB-OD2 3.45Å; S163-D167 VanDerWaalsContact O-CB 3.24Å; S163-D167 WeakPolarHBondContact O-CB 3.04Å; S163-D167 VanDerWaalsContact O-CG 3.27Å; S163-D167 PolarHBondContact O-N 3.27Å; S163-D167 PolarHBondContact OG-OD2 2.7Å; D167-E169 PolarHBondContact O-N 3.41Å |
| 168 | R | 86.1 | Confident | 90.1 | Very high | 215 Ų | 215 | 40.7 Ų | 40.7 | 81% | 0.811 | 20% | 0.195 | S | C | * | . | trans | 61.6 | 17.9 | -175.5 | -54.6 | -176.2 | 179.4 | -175.7 | 0.5 | 114.8 | M164 | M164-R168 VanDerWaalsContact O-CA 3.29Å; M164-R168 WeakPolarHBondContact O-CA 3.15Å; M164-R168 PolarHBondContact O-N 3.13Å | ||
| 169 | E | 88 | Confident | 89.5 | Confident | 127 Ų | 127 | 40.6 Ų | 40.6 | 59% | 0.593 | 20% | 0.195 | S | C | * | . | trans | -99.1 | 143.8 | 174.4 | -64.2 | -174.1 | 163.5 | 0 | 0 | 111.5 | D167 Q171 | D167-E169 PolarHBondContact O-N 3.41Å; E169-Q171 PolarHBondContact O-NE2 3Å | ||
| 170 | D | 92.8 | Very high | 89 | Confident | 48 Ų | 48 | 39.6 Ų | 39.6 | 26% | 0.257 | 19% | 0.185 | S | C | . | . | trans | -64.9 | 139.9 | 177 | -68.2 | -39.7 | 0 | 0 | 0 | 111.8 | S464 F465 T676 S677 | D170-S464 WeakPolarHBondContact OD1-CA 3.43Å; D170-S464 WeakPolarHBondContact OD1-CB 3.06Å; D170-F465 HydrophobicContact CB-CD1 3.8Å; D170-F465 HydrophobicContact CB-CE1 3.61Å; D170-F465 HydrophobicContact CB-CG 4.39Å; D170-F465 HydrophobicContact CB-CZ 4.03Å; D170-F465 VanDerWaalsContact OD1-CD1 3.26Å; D170-F465 WeakPolarHBondContact OD1-CD1 3Å; D170-F465 PolarHBondContact OD1-N 3.38Å; D170-F465 VanDerWaalsContact OD2-CD1 3.27Å; D170-F465 WeakPolarHBondContact OD2-CD1 3.48Å; D170-F465 WeakPolarHBondContact OD2-CE1 3.29Å; D170-T676 HydrophobicContact CB-CG2 3.88Å; D170-T676 CarbonylContact O-C 3.52Å; D170-T676 VanDerWaalsContact O-CA 3.25Å; D170-T676 WeakPolarHBondContact O-CA 3.34Å; D170-T676 WeakPolarHBondContact O-CB 3.14Å; D170-S677 PolarHBondContact O-N 3.04Å | ||
| 171 | Q | 94.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 152.4 | -174.6 | -51.8 | -70.4 | -55.5 | 0 | 0 | 110.5 | A160 M164 E169 F465 V466 G467 S677 | A160-Q171 HydrophobicContact CB-CB 4.35Å; M164-Q171 HydrophobicContact CB-CG 3.78Å; M164-Q171 HydrophobicContact CG-CG 4.5Å; E169-Q171 PolarHBondContact O-NE2 3Å; Q171-F465 PolarHBondContact N-O 2.93Å; Q171-F465 VanDerWaalsContact N-O 3.12Å; Q171-V466 HydrophobicContact CB-CG2 4.43Å; Q171-V466 CarbonylContact O-C 2.72Å; Q171-V466 WeakPolarHBondContact O-CA 2.95Å; Q171-G467 PolarHBondContact O-N 2.64Å; Q171-S677 VanDerWaalsContact OE1-CB 3.3Å; Q171-S677 PolarHBondContact OE1-OG 2.98Å |
| 172 | S | 94.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 154.1 | 166.8 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | L174 G467 T676 S677 P678 N679 | S172-L174 WeakPolarHBondContact OG-CD1 3.02Å; S172-G467 CarbonylContact C-O 3.35Å; S172-G467 WeakPolarHBondContact CA-O 3.3Å; S172-G467 VanDerWaalsContact CB-O 3.25Å; S172-G467 WeakPolarHBondContact CB-O 3.11Å; S172-T676 VanDerWaalsContact CB-OG1 3.3Å; S172-T676 WeakPolarHBondContact CB-OG1 3.42Å; S172-T676 PolarHBondContact OG-OG1 3.48Å; S172-S677 PolarHBondContact N-O 3.47Å; S172-P678 WeakPolarHBondContact OG-CA 3.32Å; S172-N679 VanDerWaalsContact O-CB 3.3Å; S172-N679 WeakPolarHBondContact O-CB 3.44Å; S172-N679 PolarHBondContact O-N 2.7Å; S172-N679 PolarHBondContact O-ND2 3.4Å; S172-N679 VanDerWaalsContact O-ND2 3.11Å |
| 173 | I | 95.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 116.5 | 175.4 | -61.3 | 169.6 | 0 | 0 | 0 | 107.6 | A160 V190 V466 G467 I468 L469 N679 V681 | A160-I173 HydrophobicContact CB-CD1 4.12Å; A160-I173 HydrophobicContact CB-CG1 4.28Å; I173-V190 HydrophobicContact CD1-CG1 3.68Å; I173-V190 HydrophobicContact CG2-CG2 4.39Å; I173-V466 HydrophobicContact CD1-CG1 4.05Å; I173-V466 HydrophobicContact CG1-CG1 4.37Å; I173-G467 PolarHBondContact N-O 2.89Å; I173-I468 WeakPolarHBondContact O-CA 3.03Å; I173-L469 PolarHBondContact O-N 2.71Å; I173-N679 WeakPolarHBondContact CA-O 3.14Å; I173-N679 HydrophobicContact CG1-CB 4.13Å; I173-V681 HydrophobicContact CG2-CG2 4.19Å |
| 174 | L | 93.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 106.9 | -173 | -65.8 | 84.2 | 0 | 0 | 0 | 110.6 | S172 T176 L469 L494 L497 L673 P678 N679 F680 V681 | S172-L174 WeakPolarHBondContact OG-CD1 3.02Å; L174-T176 HydrophobicContact CB-CG2 4.32Å; L174-L469 HydrophobicContact CD2-CD2 4.13Å; L174-L469 HydrophobicContact CG-CB 4.38Å; L174-L469 HydrophobicContact CG-CD2 4.32Å; L174-L494 HydrophobicContact CD2-CD2 4.35Å; L174-L497 HydrophobicContact CD2-CD2 4.08Å; L174-L673 HydrophobicContact CD1-CD2 4.38Å; L174-L673 HydrophobicContact CD2-CD1 4.31Å; L174-L673 HydrophobicContact CD2-CD2 4.25Å; L174-L673 HydrophobicContact CG-CD2 4.34Å; L174-P678 HydrophobicContact CD1-CB 3.77Å; L174-N679 PolarHBondContact N-O 2.76Å; L174-F680 HydrophobicContact CB-CD1 4.11Å; L174-F680 HydrophobicContact CB-CE1 4.45Å; L174-F680 HydrophobicContact CD2-CD1 4.46Å; L174-F680 HydrophobicContact CD2-CE1 3.97Å; L174-V681 PolarHBondContact O-N 3.05Å |
| 175 | C | 91.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 114.3 | 172.4 | -69.4 | 0 | 0 | 0 | 0 | 109.4 | K183 L469 | C175-K183 HydrophobicContact CB-CB 4Å; C175-K183 HydrophobicContact CB-CG 4.35Å; C175-K183 WeakPolarHBondContact O-CD 3.2Å; C175-L469 PolarHBondContact N-O 3.2Å |
| 176 | T | 88.6 | Confident | 88 | Confident | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.055 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.9 | -169.9 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | L174 V681 R682 C683 | L174-T176 HydrophobicContact CB-CG2 4.32Å; T176-V681 PolarHBondContact N-O 3.32Å; T176-V681 PolarHBondContact OG1-O 2.86Å; T176-V681 VanDerWaalsContact OG1-O 3.09Å; T176-R682 WeakPolarHBondContact OG1-CD 3.04Å; T176-C683 WeakPolarHBondContact O-CB 3.47Å; T176-C683 PolarHBondContact O-N 2.99Å |
| 177 | G | 84.2 | Confident | 88.2 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 131 | -179.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K183 G473 | G177-K183 PolarHBondContact O-NZ 2.72Å; G177-G473 VanDerWaalsContact O-CA 3.31Å; G177-G473 WeakPolarHBondContact O-CA 2.85Å |
| 178 | E | 83 | Confident | 88.4 | Confident | 35 Ų | 35 | 30.9 Ų | 30.9 | 16% | 0.164 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -62.1 | 160.8 | -173.4 | -80.4 | -168.9 | -118 | 0 | 0 | 115.6 | G180 S181 K183 K246 Q703 | E178-G180 PolarHBondContact O-N 3.19Å; E178-S181 WeakPolarHBondContact O-CB 3.38Å; E178-S181 PolarHBondContact O-N 2.74Å; E178-S181 VanDerWaalsContact O-N 3.16Å; E178-S181 PolarHBondContact O-OG 3.06Å; E178-K183 PolarHBondContact O-NZ 2.78Å; E178-K246 IonicContact OE2-NZ 2.65Å; E178-K246 PolarHBondContact OE2-NZ 2.72Å; E178-K246 VanDerWaalsContact OE2-NZ 3.15Å; E178-Q703 VanDerWaalsContact OE1-CG 3.25Å; E178-Q703 WeakPolarHBondContact OE1-CG 2.98Å |
| 179 | S | 81.1 | Confident | 88.7 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.007 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 126.4 | 170.3 | -156.9 | 0 | 0 | 0 | 0 | 110.4 | S250 E475 | S179-S250 PolarHBondContact OG-OG 2.85Å; S179-E475 VanDerWaalsContact CB-OE1 3.26Å; S179-E475 WeakPolarHBondContact CB-OE1 3.28Å; S179-E475 PolarHBondContact OG-OE1 3.05Å |
| 180 | G | 79.7 | Confident | 88.9 | Confident | 6 Ų | 6 | 16.7 Ų | 16.7 | 6% | 0.062 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -5.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | N125 E178 G182 | N125-G180 PolarHBondContact ND2-O 3.29Å; E178-G180 PolarHBondContact O-N 3.19Å; G180-G182 VanDerWaalsContact C-N 3.26Å; G180-G182 PolarHBondContact O-N 2.68Å |
| 181 | S | 85.2 | Confident | 88.8 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -76.4 | -0.1 | -177.5 | 75.1 | 0 | 0 | 0 | 0 | 116.3 | E178 C683 | E178-S181 WeakPolarHBondContact O-CB 3.38Å; E178-S181 PolarHBondContact O-N 2.74Å; E178-S181 VanDerWaalsContact O-N 3.16Å; E178-S181 PolarHBondContact O-OG 3.06Å; S181-C683 VanDerWaalsContact CB-C 3.49Å; S181-C683 WeakPolarHBondContact CB-O 3.2Å; S181-C683 WeakPolarHBondContact O-CB 3.37Å; S181-C683 WeakPolarHBondContact OG-CB 3.15Å; S181-C683 PolarHBondContact OG-O 2.67Å |
| 182 | G | 86 | Confident | 88.5 | Confident | 16 Ų | 16 | 17 Ų | 17 | 17% | 0.165 | 9% | 0.086 | C | C | . | . | S | Bend | trans | 92.5 | 17.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | G180 T184 E185 N186 | G180-G182 VanDerWaalsContact C-N 3.26Å; G180-G182 PolarHBondContact O-N 2.68Å; G182-T184 PolarHBondContact O-N 2.8Å; G182-E185 PolarHBondContact O-N 2.63Å; G182-N186 PolarHBondContact O-N 2.64Å; G182-N186 VanDerWaalsContact O-N 3.11Å; G182-N186 PolarHBondContact O-ND2 3.42Å |
| 183 | K | 88.9 | Confident | 88.4 | Confident | 11 Ų | 11 | 17 Ų | 17 | 5% | 0.048 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -51.5 | -49.2 | 178.7 | -63.4 | -176.7 | -68.3 | -72.4 | 0 | 113.8 | C175 G177 E178 E185 N186 T187 D470 I471 C683 | C175-K183 HydrophobicContact CB-CB 4Å; C175-K183 HydrophobicContact CB-CG 4.35Å; C175-K183 WeakPolarHBondContact O-CD 3.2Å; G177-K183 PolarHBondContact O-NZ 2.72Å; E178-K183 PolarHBondContact O-NZ 2.78Å; K183-E185 PolarHBondContact O-N 3.44Å; K183-N186 PolarHBondContact O-N 2.83Å; K183-T187 PolarHBondContact O-N 2.68Å; K183-T187 PolarHBondContact O-OG1 2.69Å; K183-D470 VanDerWaalsContact CB-OD1 3.24Å; K183-D470 WeakPolarHBondContact CB-OD1 3.38Å; K183-I471 WeakPolarHBondContact CE-O 3.22Å; K183-C683 HydrophobicContact CG-CB 4.04Å |
| 184 | T | 86.1 | Confident | 88.1 | Confident | 23 Ų | 23 | 17 Ų | 17 | 14% | 0.141 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.2 | -37.5 | -179.5 | -48.7 | 0 | 0 | 0 | 0 | 113 | G182 T187 K188 E237 D470 | G182-T184 PolarHBondContact O-N 2.8Å; T184-T187 WeakPolarHBondContact O-CB 3.03Å; T184-T187 PolarHBondContact O-N 2.91Å; T184-K188 WeakPolarHBondContact O-CG 3.41Å; T184-K188 PolarHBondContact O-N 2.96Å; T184-E237 WeakPolarHBondContact CG2-OE1 2.96Å; T184-D470 VanDerWaalsContact CA-OD2 3.22Å; T184-D470 WeakPolarHBondContact CA-OD2 3.25Å; T184-D470 WeakPolarHBondContact CB-OD2 2.92Å; T184-D470 WeakPolarHBondContact CG2-OD2 2.91Å; T184-D470 PolarHBondContact N-OD1 2.69Å; T184-D470 PolarHBondContact OG1-OD1 2.93Å; T184-D470 PolarHBondContact OG1-OD2 2.7Å |
| 185 | E | 86.4 | Confident | 87.8 | Confident | 94 Ų | 94 | 17 Ų | 17 | 44% | 0.439 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -69.1 | -40.8 | 176.2 | -68 | -59 | 115.7 | 0 | 0 | 111.7 | G182 K183 T187 K188 K189 | G182-E185 PolarHBondContact O-N 2.63Å; K183-E185 PolarHBondContact O-N 3.44Å; E185-T187 VanDerWaalsContact C-N 3.31Å; E185-T187 PolarHBondContact O-N 2.88Å; E185-K188 PolarHBondContact O-N 2.78Å; E185-K188 WeakPolarHBondContact OE1-CD 3.18Å; E185-K188 WeakPolarHBondContact OE1-CE 3.46Å; E185-K188 IonicContact OE1-NZ 3.09Å; E185-K188 PolarHBondContact OE1-NZ 3.33Å; E185-K189 WeakPolarHBondContact O-CG 3.47Å; E185-K189 PolarHBondContact O-N 2.97Å; E185-K189 VanDerWaalsContact O-N 3.16Å |
| 186 | N | 91.5 | Very high | 87.4 | Confident | 9 Ų | 9 | 18.3 Ų | 18.3 | 5% | 0.048 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 172.1 | -76.3 | -87.1 | 0 | 0 | 0 | 111.1 | Y114 I153 G182 K183 K188 K189 V190 | Y114-N186 VanDerWaalsContact CE1-OD1 3.31Å; Y114-N186 WeakPolarHBondContact CE1-OD1 3.33Å; Y114-N186 PolarHBondContact OH-OD1 2.74Å; I153-N186 HydrophobicContact CD1-CB 4.38Å; G182-N186 PolarHBondContact O-N 2.64Å; G182-N186 VanDerWaalsContact O-N 3.11Å; G182-N186 PolarHBondContact O-ND2 3.42Å; K183-N186 PolarHBondContact O-N 2.83Å; N186-K188 PolarHBondContact O-N 2.92Å; N186-K189 PolarHBondContact O-N 2.7Å; N186-V190 PolarHBondContact O-N 3.24Å |
| 187 | T | 90.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58.3 | -47.2 | 175.9 | -62 | 0 | 0 | 0 | 0 | 112.1 | K183 T184 E185 K189 V190 I191 I257 I468 D470 | K183-T187 PolarHBondContact O-N 2.68Å; K183-T187 PolarHBondContact O-OG1 2.69Å; T184-T187 WeakPolarHBondContact O-CB 3.03Å; T184-T187 PolarHBondContact O-N 2.91Å; E185-T187 VanDerWaalsContact C-N 3.31Å; E185-T187 PolarHBondContact O-N 2.88Å; T187-K189 PolarHBondContact O-N 3.14Å; T187-V190 PolarHBondContact O-N 3.38Å; T187-I191 HydrophobicContact CG2-CD1 4.15Å; T187-I191 WeakPolarHBondContact O-CG1 3.03Å; T187-I191 PolarHBondContact O-N 2.76Å; T187-I191 VanDerWaalsContact O-N 3.11Å; T187-I257 HydrophobicContact CG2-CD1 4.43Å; T187-I468 HydrophobicContact CG2-CG2 3.87Å; T187-D470 HydrophobicContact CG2-CB 4.08Å |
| 188 | K | 89 | Confident | 87.2 | Confident | 51 Ų | 51 | 19.1 Ų | 19.1 | 22% | 0.222 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -55.4 | -39.2 | 172.8 | -71.5 | 170.1 | -173.9 | 168.7 | 0 | 112.2 | T184 E185 N186 I191 Q192 E237 | T184-K188 WeakPolarHBondContact O-CG 3.41Å; T184-K188 PolarHBondContact O-N 2.96Å; E185-K188 PolarHBondContact O-N 2.78Å; E185-K188 WeakPolarHBondContact OE1-CD 3.18Å; E185-K188 WeakPolarHBondContact OE1-CE 3.46Å; E185-K188 IonicContact OE1-NZ 3.09Å; E185-K188 PolarHBondContact OE1-NZ 3.33Å; N186-K188 PolarHBondContact O-N 2.92Å; K188-I191 PolarHBondContact O-N 3.45Å; K188-Q192 WeakPolarHBondContact O-CB 3.47Å; K188-Q192 PolarHBondContact O-N 3.07Å; K188-E237 WeakPolarHBondContact CE-OE1 3.37Å; K188-E237 WeakPolarHBondContact CE-OE2 3.14Å; K188-E237 VanDerWaalsContact NZ-CD 3.31Å; K188-E237 IonicContact NZ-OE1 3.97Å; K188-E237 PolarHBondContact NZ-OE1 3.34Å; K188-E237 VanDerWaalsContact NZ-OE1 3.09Å; K188-E237 IonicContact NZ-OE2 2.75Å; K188-E237 PolarHBondContact NZ-OE2 2.87Å |
| 189 | K | 91.1 | Very high | 86.9 | Confident | 44 Ų | 44 | 18.7 Ų | 18.7 | 19% | 0.191 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -75.2 | -31.2 | -179.2 | -63.2 | -58 | 179.1 | -179.8 | 0 | 113.8 | Y133 I153 F154 E185 N186 T187 Y193 | Y133-K189 HydrophobicContact CD1-CB 4.28Å; Y133-K189 HydrophobicContact CD1-CD 3.54Å; Y133-K189 HydrophobicContact CD1-CG 3.71Å; Y133-K189 HydrophobicContact CD2-CD 4.3Å; Y133-K189 HydrophobicContact CE1-CB 4.24Å; Y133-K189 HydrophobicContact CE1-CD 4.05Å; Y133-K189 HydrophobicContact CE1-CG 3.7Å; Y133-K189 HydrophobicContact CG-CD 3.67Å; Y133-K189 VanDerWaalsContact CG-CE 3.44Å; Y133-K189 HydrophobicContact CG-CG 4.25Å; I153-K189 HydrophobicContact CG2-CB 3.86Å; F154-K189 HydrophobicContact CE1-CB 4.27Å; F154-K189 WeakPolarHBondContact CE1-O 3.39Å; E185-K189 WeakPolarHBondContact O-CG 3.47Å; E185-K189 PolarHBondContact O-N 2.97Å; E185-K189 VanDerWaalsContact O-N 3.16Å; N186-K189 PolarHBondContact O-N 2.7Å; T187-K189 PolarHBondContact O-N 3.14Å; K189-Y193 WeakPolarHBondContact O-CB 3.48Å; K189-Y193 PolarHBondContact O-N 2.65Å; K189-Y193 VanDerWaalsContact O-N 3.11Å |
| 190 | V | 92.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 167.2 | 177.5 | 0 | 0 | 0 | 0 | 110.4 | I153 A157 I173 N186 T187 Y193 L194 I468 | I153-V190 HydrophobicContact CD1-CG2 3.67Å; I153-V190 HydrophobicContact CG1-CG2 3.58Å; A157-V190 HydrophobicContact CB-CG1 4.16Å; I173-V190 HydrophobicContact CD1-CG1 3.68Å; I173-V190 HydrophobicContact CG2-CG2 4.39Å; N186-V190 PolarHBondContact O-N 3.24Å; T187-V190 PolarHBondContact O-N 3.38Å; V190-Y193 WeakPolarHBondContact O-CB 3.06Å; V190-Y193 PolarHBondContact O-N 3.27Å; V190-L194 HydrophobicContact CG1-CD1 3.92Å; V190-L194 HydrophobicContact CG1-CG 4.44Å; V190-L194 WeakPolarHBondContact O-CG 3.36Å; V190-L194 PolarHBondContact O-N 3.04Å; V190-I468 HydrophobicContact CB-CD1 4.23Å; V190-I468 HydrophobicContact CG1-CD1 3.56Å; V190-I468 HydrophobicContact CG1-CG1 4.09Å |
| 191 | I | 90.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.9 | -45.4 | -179.8 | -60.5 | 166 | 0 | 0 | 0 | 111.1 | T187 K188 Y193 L194 A195 L229 L230 I257 I468 | T187-I191 HydrophobicContact CG2-CD1 4.15Å; T187-I191 WeakPolarHBondContact O-CG1 3.03Å; T187-I191 PolarHBondContact O-N 2.76Å; T187-I191 VanDerWaalsContact O-N 3.11Å; K188-I191 PolarHBondContact O-N 3.45Å; I191-Y193 PolarHBondContact O-N 2.85Å; I191-L194 PolarHBondContact O-N 2.97Å; I191-A195 WeakPolarHBondContact O-CB 3.09Å; I191-A195 PolarHBondContact O-N 3.32Å; I191-L229 HydrophobicContact CG2-CD2 4.05Å; I191-L229 HydrophobicContact CG2-CG 3.8Å; I191-L230 HydrophobicContact CB-CD2 4.5Å; I191-L230 HydrophobicContact CG2-CD2 3.84Å; I191-I257 HydrophobicContact CD1-CD1 3.7Å; I191-I468 HydrophobicContact CG1-CD1 3.67Å |
| 192 | Q | 88.6 | Confident | 84 | Confident | 55 Ų | 55 | 31.2 Ų | 31.2 | 26% | 0.257 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -54.8 | -39.7 | 174.5 | -170.9 | -167 | -26.3 | 0 | 0 | 111.8 | Y133 K188 C196 L230 | Y133-Q192 PolarHBondContact O-NE2 3.37Å; K188-Q192 WeakPolarHBondContact O-CB 3.47Å; K188-Q192 PolarHBondContact O-N 3.07Å; Q192-C196 PolarHBondContact O-N 3.48Å; Q192-L230 HydrophobicContact CB-CD2 4.29Å |
| 193 | Y | 91.3 | Very high | 82.2 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.1 | -52.9 | 179.5 | -170 | -98.3 | 0 | 0 | 0 | 112.6 | V138 K142 F154 A157 D158 K189 V190 I191 A195 C196 V197 | V138-Y193 HydrophobicContact CB-CD2 4.46Å; V138-Y193 HydrophobicContact CB-CE2 4.41Å; V138-Y193 HydrophobicContact CG1-CD2 3.88Å; V138-Y193 HydrophobicContact CG1-CE2 3.79Å; V138-Y193 HydrophobicContact CG2-CD2 4.32Å; K142-Y193 WeakPolarHBondContact CA-OH 3.45Å; K142-Y193 PolarHBondContact N-OH 2.69Å; F154-Y193 HydrophobicContact CB-CD2 3.53Å; F154-Y193 HydrophobicContact CB-CE2 3.58Å; F154-Y193 HydrophobicContact CB-CG 4.12Å; F154-Y193 AromaticContact CD1-CD2 3.47Å; F154-Y193 HydrophobicContact CD1-CD2 3.47Å; F154-Y193 VanDerWaalsContact CD1-CD2 3.47Å; F154-Y193 HydrophobicContact CD1-CE2 4.37Å; F154-Y193 AromaticContact CD1-CG 3.8Å; F154-Y193 HydrophobicContact CD1-CG 3.8Å; F154-Y193 AromaticContact CD2-CD2 3.71Å; F154-Y193 HydrophobicContact CD2-CD2 3.71Å; F154-Y193 AromaticContact CD2-CE2 4Å; F154-Y193 HydrophobicContact CD2-CE2 4Å; F154-Y193 HydrophobicContact CE1-CD2 4.04Å; F154-Y193 HydrophobicContact CE1-CG 4.42Å; F154-Y193 HydrophobicContact CE2-CD2 4.26Å; F154-Y193 AromaticContact CG-CD2 3.28Å; F154-Y193 HydrophobicContact CG-CD2 3.28Å; F154-Y193 AromaticContact CG-CE2 3.75Å; F154-Y193 HydrophobicContact CG-CE2 3.75Å; F154-Y193 HydrophobicContact CG-CG 4Å; F154-Y193 HydrophobicContact CZ-CD2 4.41Å; A157-Y193 HydrophobicContact CB-CD1 3.58Å; A157-Y193 HydrophobicContact CB-CE1 4.26Å; A157-Y193 HydrophobicContact CB-CG 4.24Å; D158-Y193 HydrophobicContact CB-CE1 3.67Å; D158-Y193 WeakPolarHBondContact CB-OH 3.49Å; D158-Y193 PolarHBondContact OD1-OH 2.7Å; K189-Y193 WeakPolarHBondContact O-CB 3.48Å; K189-Y193 PolarHBondContact O-N 2.65Å; K189-Y193 VanDerWaalsContact O-N 3.11Å; V190-Y193 WeakPolarHBondContact O-CB 3.06Å; V190-Y193 PolarHBondContact O-N 3.27Å; I191-Y193 PolarHBondContact O-N 2.85Å; Y193-A195 VanDerWaalsContact C-N 3.34Å; Y193-A195 PolarHBondContact O-N 2.74Å; Y193-C196 PolarHBondContact O-N 3.5Å; Y193-V197 HydrophobicContact CD1-CG2 4.2Å; Y193-V197 HydrophobicContact CD2-CG2 4.47Å; Y193-V197 HydrophobicContact CE1-CB 4.5Å; Y193-V197 HydrophobicContact CE1-CG2 3.75Å; Y193-V197 HydrophobicContact CE2-CG2 4.05Å; Y193-V197 WeakPolarHBondContact O-CG2 2.93Å; Y193-V197 PolarHBondContact O-N 2.72Å |
| 194 | L | 90.8 | Very high | 80.2 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -41.5 | -179.2 | -67.1 | 174 | 0 | 0 | 0 | 111.7 | Y161 V190 I191 C196 V197 A198 I259 V466 I468 | Y161-L194 HydrophobicContact CD2-CD2 4.38Å; Y161-L194 HydrophobicContact CG-CD2 4.37Å; V190-L194 HydrophobicContact CG1-CD1 3.92Å; V190-L194 HydrophobicContact CG1-CG 4.44Å; V190-L194 WeakPolarHBondContact O-CG 3.36Å; V190-L194 PolarHBondContact O-N 3.04Å; I191-L194 PolarHBondContact O-N 2.97Å; L194-C196 VanDerWaalsContact C-N 3.32Å; L194-C196 PolarHBondContact O-N 2.69Å; L194-V197 PolarHBondContact O-N 2.63Å; L194-A198 WeakPolarHBondContact O-CB 3.12Å; L194-A198 PolarHBondContact O-N 2.7Å; L194-I259 HydrophobicContact CD1-CD1 3.93Å; L194-V466 HydrophobicContact CD1-CG1 4.32Å; L194-I468 HydrophobicContact CD1-CD1 4.32Å |
| 195 | A | 86.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.1 | -45.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I191 Y193 T199 E226 L230 | I191-A195 WeakPolarHBondContact O-CB 3.09Å; I191-A195 PolarHBondContact O-N 3.32Å; Y193-A195 VanDerWaalsContact C-N 3.34Å; Y193-A195 PolarHBondContact O-N 2.74Å; A195-T199 PolarHBondContact O-N 3.5Å; A195-T199 PolarHBondContact O-OG1 3.35Å; A195-E226 HydrophobicContact CB-CB 4.19Å; A195-L230 HydrophobicContact CB-CD1 4.27Å; A195-L230 HydrophobicContact CB-CG 4.5Å |
| 196 | C | 83.3 | Confident | 76 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72 | -42.2 | -179.7 | -171.9 | 0 | 0 | 0 | 0 | 112.9 | V138 Q192 Y193 L194 | V138-C196 HydrophobicContact CG1-CB 4.09Å; Q192-C196 PolarHBondContact O-N 3.48Å; Y193-C196 PolarHBondContact O-N 3.5Å; L194-C196 VanDerWaalsContact C-N 3.32Å; L194-C196 PolarHBondContact O-N 2.69Å |
| 197 | V | 85.6 | Confident | 73.4 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 16% | 0.164 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76.3 | -34 | -175.2 | 174.3 | 0 | 0 | 0 | 0 | 113 | V138 K142 Y161 Y193 L194 | V138-V197 HydrophobicContact CG1-CG2 4.2Å; K142-V197 HydrophobicContact CG-CG1 4.41Å; K142-V197 HydrophobicContact CG-CG2 4.24Å; Y161-V197 HydrophobicContact CD1-CG1 4.27Å; Y161-V197 HydrophobicContact CE1-CG1 3.89Å; Y193-V197 HydrophobicContact CD1-CG2 4.2Å; Y193-V197 HydrophobicContact CD2-CG2 4.47Å; Y193-V197 HydrophobicContact CE1-CB 4.5Å; Y193-V197 HydrophobicContact CE1-CG2 3.75Å; Y193-V197 HydrophobicContact CE2-CG2 4.05Å; Y193-V197 WeakPolarHBondContact O-CG2 2.93Å; Y193-V197 PolarHBondContact O-N 2.72Å; L194-V197 PolarHBondContact O-N 2.63Å |
| 198 | A | 83.6 | Confident | 70.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -106.6 | 16.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y161 L194 F261 G265 F266 I267 | Y161-A198 HydrophobicContact CE2-CB 4.08Å; L194-A198 WeakPolarHBondContact O-CB 3.12Å; L194-A198 PolarHBondContact O-N 2.7Å; A198-F261 HydrophobicContact CB-CD1 4.37Å; A198-F261 HydrophobicContact CB-CE1 3.8Å; A198-G265 WeakPolarHBondContact CB-O 3.37Å; A198-F266 WeakPolarHBondContact O-CA 3.46Å; A198-I267 HydrophobicContact CB-CD1 4.26Å; A198-I267 HydrophobicContact CB-CG1 3.87Å; A198-I267 PolarHBondContact O-N 3.43Å |
| 199 | T | 77.1 | Confident | 68.7 | Low | 26 Ų | 26 | 63 Ų | 63 | 16% | 0.16 | 34% | 0.337 | C | S | . | . | trans | -65.5 | 134.2 | 170.4 | -72.5 | 0 | 0 | 0 | 0 | 111.1 | A195 A201 E226 | A195-T199 PolarHBondContact O-N 3.5Å; A195-T199 PolarHBondContact O-OG1 3.35Å; T199-A201 PolarHBondContact O-N 3.33Å; T199-E226 WeakPolarHBondContact CA-OE1 3.24Å; T199-E226 PolarHBondContact OG1-OE1 3.48Å | ||
| 200 | S | 69.3 | Low | 66.5 | Low | 36 Ų | 36 | 64.7 Ų | 64.7 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | trans | -80.5 | 118.5 | 177.7 | -163.4 | 0 | 0 | 0 | 0 | 113.4 | K202 H203 | S200-K202 PolarHBondContact O-N 2.68Å; S200-H203 PolarHBondContact O-N 3.25Å | ||
| 201 | A | 61.8 | Low | 64.2 | Low | 64 Ų | 64 | 69.7 Ų | 69.7 | 53% | 0.529 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -7.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | T199 | T199-A201 PolarHBondContact O-N 3.33Š|
| 202 | K | 53.1 | Low | 61.6 | Low | 170 Ų | 170 | 77.7 Ų | 77.7 | 74% | 0.739 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -34.2 | 177.7 | -78.5 | 179.1 | 178.4 | 169.9 | 0 | 113.1 | S200 Q204 | S200-K202 PolarHBondContact O-N 2.68Å; K202-Q204 PolarHBondContact O-N 2.95Å |
| 203 | H | 47.7 | Very low | 59.3 | Low | 145 Ų | 145 | 77.8 Ų | 77.8 | 67% | 0.671 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -77.8 | -15.7 | -179 | -73.8 | -22.8 | 0 | 0 | 0 | 114.3 | S200 K205 T206 | S200-H203 PolarHBondContact O-N 3.25Å; H203-K205 PolarHBondContact O-N 2.89Å; H203-K205 VanDerWaalsContact O-N 3.1Å; H203-T206 PolarHBondContact O-OG1 2.9Å |
| 204 | Q | 48 | Very low | 56.8 | Low | 91 Ų | 91 | 84.7 Ų | 84.7 | 43% | 0.425 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -72.2 | 0.8 | 176.7 | -65.1 | -169.4 | -3.6 | 0 | 0 | 114.9 | K202 | K202-Q204 PolarHBondContact O-N 2.95Š|
| 205 | K | 43.8 | Very low | 54.3 | Low | 183 Ų | 183 | 93.7 Ų | 93.7 | 80% | 0.796 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -114.2 | -8.7 | -173.1 | -68.7 | -172.5 | 178.8 | 179.9 | 0 | 115.6 | H203 | H203-K205 PolarHBondContact O-N 2.89Å; H203-K205 VanDerWaalsContact O-N 3.1Å |
| 206 | T | 39.5 | Very low | 51.7 | Low | 116 Ų | 116 | 101 Ų | 101 | 71% | 0.712 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -97.1 | 6.4 | -163.3 | 40.5 | 0 | 0 | 0 | 0 | 116.1 | H203 | H203-T206 PolarHBondContact O-OG1 2.9Š|
| 207 | S | 37.1 | Very low | 49.4 | Very low | 57 Ų | 57 | 104.2 Ų | 104.2 | 40% | 0.399 | 55% | 0.552 | S | S | . | * | trans | -133.3 | 119.1 | 172.8 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | K209 N210 | S207-K209 PolarHBondContact O-N 2.6Å; S207-N210 PolarHBondContact O-N 3.14Å; S207-N210 VanDerWaalsContact O-N 3.16Å | ||
| 208 | A | 39 | Very low | 47.3 | Very low | 97 Ų | 97 | 111.7 Ų | 111.7 | 80% | 0.802 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -64.1 | -18 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N210 | A208-N210 VanDerWaalsContact C-N 3.32Š|
| 209 | K | 42.2 | Very low | 45.6 | Very low | 183 Ų | 183 | 117.5 Ų | 117.5 | 80% | 0.796 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -69.7 | -27.8 | 175.2 | -70.1 | -175.1 | 176.2 | -179.9 | 0 | 112.7 | S207 V211 | S207-K209 PolarHBondContact O-N 2.6Å; K209-V211 VanDerWaalsContact C-N 3.26Å; K209-V211 PolarHBondContact O-N 3.31Å |
| 210 | N | 44.9 | Very low | 44.5 | Very low | 80 Ų | 80 | 120.6 Ų | 120.6 | 43% | 0.428 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -86 | 10.1 | -171.9 | -65.2 | 18.4 | 0 | 0 | 0 | 113.7 | S207 A208 S213 | S207-N210 PolarHBondContact O-N 3.14Å; S207-N210 VanDerWaalsContact O-N 3.16Å; A208-N210 VanDerWaalsContact C-N 3.32Å; N210-S213 PolarHBondContact O-OG 2.71Å |
| 211 | V | 43.5 | Very low | 44 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -81.8 | -31.2 | 176.6 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | K209 | K209-V211 VanDerWaalsContact C-N 3.26Å; K209-V211 PolarHBondContact O-N 3.31Å |
| 212 | M | 37.3 | Very low | 44.3 | Very low | 168 Ų | 168 | 122.6 Ų | 122.6 | 83% | 0.828 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -88.4 | -19.5 | -179.2 | -69 | -163.4 | -67.5 | 0 | 0 | 114.6 | K214 | M212-K214 VanDerWaalsContact C-N 3.27Å; M212-K214 PolarHBondContact O-N 3.27Å |
| 213 | S | 40.6 | Very low | 45.1 | Very low | 57 Ų | 57 | 115.1 Ų | 115.1 | 40% | 0.399 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -68.4 | -26.2 | 175.6 | 48.7 | 0 | 0 | 0 | 0 | 113.1 | N210 F215 N216 | N210-S213 PolarHBondContact O-OG 2.71Å; S213-F215 PolarHBondContact O-N 2.68Å; S213-N216 PolarHBondContact O-N 3.25Å |
| 214 | K | 39.3 | Very low | 46.7 | Very low | 147 Ų | 147 | 114.1 Ų | 114.1 | 64% | 0.639 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -60.6 | 1.3 | -177.9 | -69.9 | -164.3 | 173 | -164.3 | 0 | 116.6 | M212 | M212-K214 VanDerWaalsContact C-N 3.27Å; M212-K214 PolarHBondContact O-N 3.27Å |
| 215 | F | 37.3 | Very low | 48.4 | Very low | 189 Ų | 189 | 110.9 Ų | 110.9 | 83% | 0.829 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -116 | -11.4 | 178.4 | -83.6 | -82.6 | 0 | 0 | 0 | 115.1 | S213 | S213-F215 PolarHBondContact O-N 2.68Š|
| 216 | N | 32.5 | Very low | 50.3 | Low | 154 Ų | 154 | 102.8 Ų | 102.8 | 82% | 0.824 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.5 | -6.2 | -166.9 | -91.5 | -7.6 | 0 | 0 | 0 | 117 | S213 | S213-N216 PolarHBondContact O-N 3.25Š|
| 217 | T | 33.7 | Very low | 52.3 | Low | 94 Ų | 94 | 98.8 Ų | 98.8 | 58% | 0.577 | 53% | 0.525 | S | S | * | . | trans | -128.5 | 138.7 | 172.9 | 49 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 218 | K | 42.7 | Very low | 54.7 | Low | 185 Ų | 185 | 96.5 Ų | 96.5 | 80% | 0.804 | 51% | 0.508 | S | S | * | . | trans | -77.6 | -23.9 | -177.4 | -88.2 | -164.8 | 167.9 | -160.3 | 0 | 113.3 | ||||
| 219 | D | 47.3 | Very low | 57 | Low | 122 Ų | 122 | 92 Ų | 92 | 65% | 0.652 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -70.1 | 133.5 | -162.8 | -39.5 | -85.4 | 0 | 0 | 0 | 112.4 | S221 | D219-S221 PolarHBondContact O-N 2.69Š|
| 220 | F | 53.1 | Low | 59.1 | Low | 90 Ų | 90 | 85.7 Ų | 85.7 | 40% | 0.395 | 45% | 0.445 | S | S | . | . | trans | -55.4 | 130.8 | 171.8 | -105 | -121 | 0 | 0 | 0 | 111.5 | E135 I222 | E135-F220 VanDerWaalsContact CD-CD2 3.5Å; E135-F220 HydrophobicContact CG-CD2 4.35Å; E135-F220 WeakPolarHBondContact OE1-CB 3.02Å; E135-F220 WeakPolarHBondContact OE1-CD2 3.43Å; E135-F220 PolarHBondContact OE1-N 2.66Å; E135-F220 WeakPolarHBondContact OE2-CD2 3.01Å; F220-I222 HydrophobicContact CB-CG1 4.14Å; F220-I222 PolarHBondContact O-N 3.38Å | ||
| 221 | S | 60 | Low | 61.2 | Low | 74 Ų | 74 | 84.7 Ų | 84.7 | 52% | 0.517 | 44% | 0.437 | S | S | . | . | trans | -74.6 | 73.3 | 166.1 | -180 | 0 | 0 | 0 | 0 | 109.8 | D219 | D219-S221 PolarHBondContact O-N 2.69Š| ||
| 222 | I | 66.9 | Low | 63.5 | Low | 68 Ų | 68 | 79.8 Ų | 79.8 | 35% | 0.349 | 41% | 0.407 | S | S | . | . | trans | -54.7 | 144.8 | 171.3 | -60.4 | 174.4 | 0 | 0 | 0 | 109.3 | F220 E226 A227 L230 | F220-I222 HydrophobicContact CB-CG1 4.14Å; F220-I222 PolarHBondContact O-N 3.38Å; I222-E226 HydrophobicContact CG2-CB 3.47Å; I222-E226 VanDerWaalsContact CG2-CB 3.47Å; I222-A227 HydrophobicContact CG2-CB 4.22Å; I222-L230 HydrophobicContact CD1-CD1 4.07Å | ||
| 223 | G | 71.5 | Confident | 65.9 | Low | 13 Ų | 13 | 72 Ų | 72 | 13% | 0.134 | 37% | 0.369 | C | S | . | . | trans | -71.1 | 166.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L225 E226 A227 | G223-L225 PolarHBondContact O-N 3.23Å; G223-E226 WeakPolarHBondContact CA-OE2 3.41Å; G223-E226 PolarHBondContact O-N 2.66Å; G223-A227 VanDerWaalsContact O-CB 3.28Å; G223-A227 WeakPolarHBondContact O-CB 3.4Å; G223-A227 PolarHBondContact O-N 2.69Å | ||
| 224 | E | 80.6 | Confident | 68.2 | Low | 124 Ų | 124 | 71.2 Ų | 71.2 | 58% | 0.579 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.6 | -43.5 | -174.7 | -164.6 | -158.5 | 129.6 | 0 | 0 | 112.2 | A227 Q228 K457 | E224-A227 PolarHBondContact O-N 2.94Å; E224-Q228 WeakPolarHBondContact O-CB 2.85Å; E224-Q228 VanDerWaalsContact O-CG 3.29Å; E224-Q228 WeakPolarHBondContact O-CG 3.35Å; E224-Q228 PolarHBondContact O-N 2.63Å; E224-Q228 PolarHBondContact O-OE1 2.76Å; E224-Q228 PolarHBondContact OE1-NE2 3.36Å; E224-K457 IonicContact OE1-NZ 3.65Å; E224-K457 PolarHBondContact OE1-NZ 2.67Å |
| 225 | L | 83.2 | Confident | 70.8 | Confident | 24 Ų | 24 | 64.2 Ų | 64.2 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 179.2 | 173.5 | 61 | 0 | 0 | 0 | 111.2 | G223 A227 Q228 L229 I267 L455 | G223-L225 PolarHBondContact O-N 3.23Å; L225-A227 VanDerWaalsContact C-N 3.35Å; L225-Q228 PolarHBondContact O-N 3.28Å; L225-L229 WeakPolarHBondContact O-CB 3.49Å; L225-L229 PolarHBondContact O-N 2.68Å; L225-I267 HydrophobicContact CD2-CG2 3.98Å; L225-L455 HydrophobicContact CD1-CB 4.41Å; L225-L455 HydrophobicContact CD1-CD2 4.04Å; L225-L455 VanDerWaalsContact CD1-O 3.25Å; L225-L455 WeakPolarHBondContact CD1-O 3.07Å |
| 226 | E | 83.2 | Confident | 73.4 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.5 | -35 | -180 | -58.2 | 95 | 141.3 | 0 | 0 | 111.1 | A195 T199 I222 G223 L230 I267 | A195-E226 HydrophobicContact CB-CB 4.19Å; T199-E226 WeakPolarHBondContact CA-OE1 3.24Å; T199-E226 PolarHBondContact OG1-OE1 3.48Å; I222-E226 HydrophobicContact CG2-CB 3.47Å; I222-E226 VanDerWaalsContact CG2-CB 3.47Å; G223-E226 WeakPolarHBondContact CA-OE2 3.41Å; G223-E226 PolarHBondContact O-N 2.66Å; E226-L230 WeakPolarHBondContact O-CG 3.3Å; E226-L230 PolarHBondContact O-N 2.72Å; E226-I267 HydrophobicContact CG-CD1 4.34Å |
| 227 | A | 81.8 | Confident | 76.2 | Confident | 32 Ų | 32 | 48.8 Ų | 48.8 | 26% | 0.264 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70 | -41.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I222 G223 E224 L225 L230 K231 | I222-A227 HydrophobicContact CG2-CB 4.22Å; G223-A227 VanDerWaalsContact O-CB 3.28Å; G223-A227 WeakPolarHBondContact O-CB 3.4Å; G223-A227 PolarHBondContact O-N 2.69Å; E224-A227 PolarHBondContact O-N 2.94Å; L225-A227 VanDerWaalsContact C-N 3.35Å; A227-L230 PolarHBondContact O-N 2.81Å; A227-K231 WeakPolarHBondContact O-CB 3.34Å; A227-K231 WeakPolarHBondContact O-CG 3.36Å; A227-K231 PolarHBondContact O-N 3.44Å |
| 228 | Q | 88 | Confident | 79 | Confident | 9 Ų | 9 | 44.4 Ų | 44.4 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 173.8 | -80.9 | 158.7 | -0.5 | 0 | 0 | 111.5 | E224 L225 L230 K231 A232 I346 M347 T454 L455 K457 | E224-Q228 WeakPolarHBondContact O-CB 2.85Å; E224-Q228 VanDerWaalsContact O-CG 3.29Å; E224-Q228 WeakPolarHBondContact O-CG 3.35Å; E224-Q228 PolarHBondContact O-N 2.63Å; E224-Q228 PolarHBondContact O-OE1 2.76Å; E224-Q228 PolarHBondContact OE1-NE2 3.36Å; L225-Q228 PolarHBondContact O-N 3.28Å; Q228-L230 VanDerWaalsContact C-N 3.26Å; Q228-L230 PolarHBondContact O-N 2.7Å; Q228-K231 PolarHBondContact O-N 2.76Å; Q228-K231 VanDerWaalsContact O-N 3.15Å; Q228-A232 PolarHBondContact O-N 2.75Å; Q228-I346 HydrophobicContact CG-CG2 3.95Å; Q228-I346 VanDerWaalsContact CG-O 3.28Å; Q228-I346 WeakPolarHBondContact CG-O 3.23Å; Q228-I346 PolarHBondContact NE2-O 2.83Å; Q228-M347 HydrophobicContact CB-CE 4.43Å; Q228-M347 HydrophobicContact CB-SD 3.59Å; Q228-M347 VanDerWaalsContact CB-SD 3.59Å; Q228-M347 HydrophobicContact CG-SD 3.86Å; Q228-T454 HydrophobicContact CG-CG2 4.24Å; Q228-L455 HydrophobicContact CB-CD2 3.94Å; Q228-K457 VanDerWaalsContact CD-NZ 3.31Å |
| 229 | L | 87.9 | Confident | 81.5 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.4 | -36.4 | 176.5 | -179.4 | 60.4 | 0 | 0 | 0 | 112.8 | I191 L225 I257 I259 A270 L455 | I191-L229 HydrophobicContact CG2-CD2 4.05Å; I191-L229 HydrophobicContact CG2-CG 3.8Å; L225-L229 WeakPolarHBondContact O-CB 3.49Å; L225-L229 PolarHBondContact O-N 2.68Å; L229-I257 HydrophobicContact CD1-CG2 4.32Å; L229-I259 HydrophobicContact CD2-CD1 3.99Å; L229-I259 HydrophobicContact CD2-CG1 4.16Å; L229-A270 HydrophobicContact CD1-CB 3.8Å; L229-L455 HydrophobicContact CB-CD2 4.19Å; L229-L455 HydrophobicContact CD1-CD1 4.43Å |
| 230 | L | 86.5 | Confident | 83.6 | Confident | 51 Ų | 51 | 29.9 Ų | 29.9 | 27% | 0.267 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -73.1 | -43.7 | 174.7 | -69.8 | 167.2 | 0 | 0 | 0 | 112.2 | I191 Q192 A195 I222 E226 A227 Q228 A232 | I191-L230 HydrophobicContact CB-CD2 4.5Å; I191-L230 HydrophobicContact CG2-CD2 3.84Å; Q192-L230 HydrophobicContact CB-CD2 4.29Å; A195-L230 HydrophobicContact CB-CD1 4.27Å; A195-L230 HydrophobicContact CB-CG 4.5Å; I222-L230 HydrophobicContact CD1-CD1 4.07Å; E226-L230 WeakPolarHBondContact O-CG 3.3Å; E226-L230 PolarHBondContact O-N 2.72Å; A227-L230 PolarHBondContact O-N 2.81Å; Q228-L230 VanDerWaalsContact C-N 3.26Å; Q228-L230 PolarHBondContact O-N 2.7Å; L230-A232 VanDerWaalsContact C-N 3.32Å; L230-A232 PolarHBondContact O-N 2.74Å |
| 231 | K | 88.7 | Confident | 85.4 | Confident | 59 Ų | 59 | 25.6 Ų | 25.6 | 26% | 0.257 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -73.9 | -17.3 | -178.7 | -70.8 | -80.4 | 177 | 167.6 | 0 | 113.9 | A227 Q228 N233 P234 E342 A343 I346 | A227-K231 WeakPolarHBondContact O-CB 3.34Å; A227-K231 WeakPolarHBondContact O-CG 3.36Å; A227-K231 PolarHBondContact O-N 3.44Å; Q228-K231 PolarHBondContact O-N 2.76Å; Q228-K231 VanDerWaalsContact O-N 3.15Å; K231-N233 VanDerWaalsContact C-N 3.28Å; K231-N233 PolarHBondContact O-N 2.72Å; K231-P234 VanDerWaalsContact O-CD 3.32Å; K231-P234 WeakPolarHBondContact O-CD 3.34Å; K231-E342 WeakPolarHBondContact CE-OE1 3.08Å; K231-E342 IonicContact NZ-OE1 3.33Å; K231-E342 PolarHBondContact NZ-OE1 3.34Å; K231-E342 IonicContact NZ-OE2 3.43Å; K231-A343 HydrophobicContact CB-CB 4.11Å; K231-A343 HydrophobicContact CD-CB 4.13Å; K231-A343 WeakPolarHBondContact O-CB 3.42Å; K231-I346 HydrophobicContact CB-CG2 4.21Å; K231-I346 HydrophobicContact CD-CD1 3.87Å; K231-I346 HydrophobicContact CG-CB 4.44Å; K231-I346 HydrophobicContact CG-CD1 3.91Å; K231-I346 HydrophobicContact CG-CG2 4.11Å |
| 232 | A | 91 | Very high | 86.8 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.8 | -32.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q228 L230 I235 L236 I272 M347 I451 | Q228-A232 PolarHBondContact O-N 2.75Å; L230-A232 VanDerWaalsContact C-N 3.32Å; L230-A232 PolarHBondContact O-N 2.74Å; A232-I235 PolarHBondContact O-N 2.75Å; A232-L236 WeakPolarHBondContact O-CG 3.12Å; A232-L236 PolarHBondContact O-N 3.39Å; A232-I272 HydrophobicContact CB-CD1 4.18Å; A232-M347 HydrophobicContact CB-SD 4.29Å; A232-I451 HydrophobicContact CB-CG2 3.95Å |
| 233 | N | 88.7 | Confident | 87.8 | Confident | 5 Ų | 5 | 20.4 Ų | 20.4 | 3% | 0.027 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.6 | -49.2 | -177.3 | -82.7 | -80.8 | 0 | 0 | 0 | 113.8 | K231 I235 L236 E237 K255 | K231-N233 VanDerWaalsContact C-N 3.28Å; K231-N233 PolarHBondContact O-N 2.72Å; N233-I235 VanDerWaalsContact C-N 3.28Å; N233-I235 PolarHBondContact O-N 2.91Å; N233-L236 PolarHBondContact O-N 3.29Å; N233-L236 VanDerWaalsContact O-N 3.1Å; N233-E237 WeakPolarHBondContact O-CG 3.17Å; N233-E237 PolarHBondContact O-N 3.4Å; N233-K255 PolarHBondContact OD1-NZ 3.14Å |
| 234 | P | 89.6 | Confident | 88.3 | Confident | 40 Ų | 40 | 19.8 Ų | 19.8 | 26% | 0.26 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -46.9 | -44.5 | 172.5 | -33.5 | 34.2 | 0 | 0 | 0 | 115.1 | K231 E237 A238 A343 | K231-P234 VanDerWaalsContact O-CD 3.32Å; K231-P234 WeakPolarHBondContact O-CD 3.34Å; P234-E237 PolarHBondContact O-N 2.61Å; P234-A238 PolarHBondContact O-N 2.84Å; P234-A343 HydrophobicContact CB-CB 4.19Å |
| 235 | I | 93.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.8 | -47.8 | 178.5 | -53.1 | 174.1 | 0 | 0 | 0 | 110.6 | A232 N233 E237 A238 F239 A343 M344 M347 I349 L447 I451 | A232-I235 PolarHBondContact O-N 2.75Å; N233-I235 VanDerWaalsContact C-N 3.28Å; N233-I235 PolarHBondContact O-N 2.91Å; I235-E237 VanDerWaalsContact C-N 3.28Å; I235-E237 PolarHBondContact O-N 2.9Å; I235-A238 PolarHBondContact O-N 3.49Å; I235-F239 HydrophobicContact CG2-CD2 4.48Å; I235-F239 WeakPolarHBondContact O-CD2 3.49Å; I235-F239 PolarHBondContact O-N 3.25Å; I235-A343 HydrophobicContact CD1-CB 4.2Å; I235-A343 HydrophobicContact CG1-CB 3.8Å; I235-M344 HydrophobicContact CD1-CG 4Å; I235-M344 HydrophobicContact CG1-CG 4.17Å; I235-M344 HydrophobicContact CG2-CE 4.1Å; I235-M347 HydrophobicContact CD1-CB 4.05Å; I235-M347 HydrophobicContact CD1-CG 3.67Å; I235-I349 HydrophobicContact CD1-CD1 4.44Å; I235-L447 HydrophobicContact CG2-CD2 4.44Å; I235-I451 HydrophobicContact CB-CD1 4.32Å; I235-I451 HydrophobicContact CD1-CD1 4.45Å; I235-I451 HydrophobicContact CG2-CD1 4.18Å |
| 236 | L | 92.6 | Very high | 88.2 | Confident | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.2 | -30.1 | 179.7 | -65.5 | 174.3 | 0 | 0 | 0 | 112.6 | A232 N233 G240 F253 I272 F444 V448 I451 | A232-L236 WeakPolarHBondContact O-CG 3.12Å; A232-L236 PolarHBondContact O-N 3.39Å; N233-L236 PolarHBondContact O-N 3.29Å; N233-L236 VanDerWaalsContact O-N 3.1Å; L236-G240 VanDerWaalsContact O-CA 3.28Å; L236-G240 WeakPolarHBondContact O-CA 2.81Å; L236-G240 PolarHBondContact O-N 2.82Å; L236-F253 HydrophobicContact CB-CZ 4.01Å; L236-I272 HydrophobicContact CD1-CD1 3.79Å; L236-I272 HydrophobicContact CD1-CG2 4.05Å; L236-F444 HydrophobicContact CD2-CE2 4.21Å; L236-F444 HydrophobicContact CD2-CZ 4.37Å; L236-V448 HydrophobicContact CD2-CG2 3.8Å; L236-I451 HydrophobicContact CD2-CD1 3.95Å; L236-I451 HydrophobicContact CG-CD1 4.12Å |
| 237 | E | 90.5 | Very high | 88.1 | Confident | 16 Ų | 16 | 20.4 Ų | 20.4 | 8% | 0.075 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -77.5 | -38.5 | 177 | -69.5 | 179.1 | -155.9 | 0 | 0 | 112.1 | T184 K188 N233 P234 I235 F239 N241 K255 | T184-E237 WeakPolarHBondContact CG2-OE1 2.96Å; K188-E237 WeakPolarHBondContact CE-OE1 3.37Å; K188-E237 WeakPolarHBondContact CE-OE2 3.14Å; K188-E237 VanDerWaalsContact NZ-CD 3.31Å; K188-E237 IonicContact NZ-OE1 3.97Å; K188-E237 PolarHBondContact NZ-OE1 3.34Å; K188-E237 VanDerWaalsContact NZ-OE1 3.09Å; K188-E237 IonicContact NZ-OE2 2.75Å; K188-E237 PolarHBondContact NZ-OE2 2.87Å; N233-E237 WeakPolarHBondContact O-CG 3.17Å; N233-E237 PolarHBondContact O-N 3.4Å; P234-E237 PolarHBondContact O-N 2.61Å; I235-E237 VanDerWaalsContact C-N 3.28Å; I235-E237 PolarHBondContact O-N 2.9Å; E237-F239 VanDerWaalsContact C-N 3.31Å; E237-F239 PolarHBondContact O-N 2.63Å; E237-N241 HydrophobicContact CB-CB 4.46Å; E237-N241 WeakPolarHBondContact O-CA 3.42Å; E237-N241 VanDerWaalsContact O-CB 3.25Å; E237-N241 WeakPolarHBondContact O-CB 3.26Å; E237-N241 PolarHBondContact O-N 3.45Å; E237-K255 IonicContact OE1-NZ 2.62Å |
| 238 | A | 92.7 | Very high | 88.1 | Confident | 2 Ų | 2 | 20.5 Ų | 20.5 | 2% | 0.017 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.7 | -42.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P234 I235 H293 I294 T340 | P234-A238 PolarHBondContact O-N 2.84Å; I235-A238 PolarHBondContact O-N 3.49Å; A238-H293 PolarHBondContact O-N 2.93Å; A238-I294 HydrophobicContact CB-CB 4.41Å; A238-I294 WeakPolarHBondContact O-CB 3.3Å; A238-I294 PolarHBondContact O-N 2.79Å; A238-T340 HydrophobicContact CB-CG2 3.82Å |
| 239 | F | 94.6 | Very high | 88 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.009 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -93.5 | -21.4 | -176.2 | -73.3 | -107.1 | 0 | 0 | 0 | 114.6 | I235 E237 F292 I294 M344 I357 I361 Y440 L443 F444 L447 | I235-F239 HydrophobicContact CG2-CD2 4.48Å; I235-F239 WeakPolarHBondContact O-CD2 3.49Å; I235-F239 PolarHBondContact O-N 3.25Å; E237-F239 VanDerWaalsContact C-N 3.31Å; E237-F239 PolarHBondContact O-N 2.63Å; F239-F292 WeakPolarHBondContact O-CD1 3.47Å; F239-I294 HydrophobicContact CD1-CG2 4.2Å; F239-I294 HydrophobicContact CD2-CB 4.31Å; F239-I294 HydrophobicContact CD2-CG1 4.28Å; F239-I294 HydrophobicContact CE1-CG1 4.12Å; F239-I294 HydrophobicContact CE1-CG2 4.41Å; F239-I294 HydrophobicContact CE2-CB 4.27Å; F239-I294 HydrophobicContact CE2-CD1 3.77Å; F239-I294 HydrophobicContact CE2-CG1 3.75Å; F239-I294 HydrophobicContact CG-CG2 4.29Å; F239-I294 HydrophobicContact CZ-CB 4.46Å; F239-I294 HydrophobicContact CZ-CD1 3.99Å; F239-I294 HydrophobicContact CZ-CG1 3.66Å; F239-M344 HydrophobicContact CE2-CE 3.48Å; F239-M344 VanDerWaalsContact CE2-CE 3.48Å; F239-M344 HydrophobicContact CZ-CE 3.84Å; F239-I357 HydrophobicContact CE1-CG2 3.73Å; F239-I357 HydrophobicContact CZ-CG2 3.49Å; F239-I357 VanDerWaalsContact CZ-CG2 3.49Å; F239-I361 HydrophobicContact CE1-CD1 3.79Å; F239-I361 HydrophobicContact CE1-CG1 4.46Å; F239-I361 HydrophobicContact CZ-CD1 3.91Å; F239-Y440 WeakPolarHBondContact CA-OH 3.11Å; F239-Y440 PolarHBondContact O-OH 2.97Å; F239-L443 HydrophobicContact CE1-CD2 4.06Å; F239-L443 HydrophobicContact CE1-CG 4.42Å; F239-F444 HydrophobicContact CB-CD2 3.92Å; F239-F444 HydrophobicContact CB-CE2 4.34Å; F239-L447 HydrophobicContact CB-CD1 4.47Å; F239-L447 HydrophobicContact CD1-CD1 3.43Å; F239-L447 VanDerWaalsContact CD1-CD1 3.43Å; F239-L447 HydrophobicContact CD2-CD1 4.05Å; F239-L447 HydrophobicContact CE1-CD1 3.5Å; F239-L447 VanDerWaalsContact CE1-CD1 3.5Å; F239-L447 HydrophobicContact CE2-CD1 4.14Å; F239-L447 HydrophobicContact CG-CD1 3.72Å; F239-L447 HydrophobicContact CZ-CD1 3.87Å |
| 240 | G | 91.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -116.2 | -14.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L236 R252 F253 F292 | L236-G240 VanDerWaalsContact O-CA 3.28Å; L236-G240 WeakPolarHBondContact O-CA 2.81Å; L236-G240 PolarHBondContact O-N 2.82Å; G240-R252 PolarHBondContact O-N 2.81Å; G240-F253 VanDerWaalsContact O-CD1 3.31Å; G240-F253 WeakPolarHBondContact O-CD1 3.45Å; G240-F292 WeakPolarHBondContact O-CE1 3.21Å |
| 241 | N | 90.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 155.5 | 175.2 | -63.5 | 18.5 | 0 | 0 | 0 | 111.8 | E237 N249 S250 S251 F253 F292 H293 | E237-N241 HydrophobicContact CB-CB 4.46Å; E237-N241 WeakPolarHBondContact O-CA 3.42Å; E237-N241 VanDerWaalsContact O-CB 3.25Å; E237-N241 WeakPolarHBondContact O-CB 3.26Å; E237-N241 PolarHBondContact O-N 3.45Å; N241-N249 WeakPolarHBondContact CB-OD1 3.44Å; N241-N249 PolarHBondContact ND2-OD1 2.79Å; N241-S250 CarbonylContact C-O 3.54Å; N241-S250 VanDerWaalsContact CA-O 3.24Å; N241-S250 WeakPolarHBondContact CA-O 3.13Å; N241-S251 VanDerWaalsContact CG-OG 3.28Å; N241-S251 PolarHBondContact ND2-OG 3.37Å; N241-S251 WeakPolarHBondContact OD1-CA 3.44Å; N241-S251 WeakPolarHBondContact OD1-CB 3.04Å; N241-S251 PolarHBondContact OD1-OG 2.74Å; N241-F253 WeakPolarHBondContact OD1-CE1 3Å; N241-F292 WeakPolarHBondContact O-CA 3.36Å; N241-H293 PolarHBondContact O-CD2 3.47Å; N241-H293 PolarHBondContact O-N 2.84Å; N241-H293 VanDerWaalsContact O-N 3.15Å |
| 242 | A | 89.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 163.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S250 R252 S291 H293 | A242-S250 PolarHBondContact N-O 2.68Å; A242-S250 WeakPolarHBondContact O-CA 3.42Å; A242-S250 WeakPolarHBondContact O-CB 3.07Å; A242-S250 PolarHBondContact O-N 2.72Å; A242-R252 HydrophobicContact CB-CG 3.94Å; A242-S291 VanDerWaalsContact CB-O 3.3Å; A242-S291 WeakPolarHBondContact CB-O 3.38Å; A242-H293 WeakPolarHBondContact CA-NE2 3.01Å; A242-H293 PolarHBondContact N-NE2 2.81Å |
| 243 | K | 87.7 | Confident | 87.4 | Confident | 32 Ų | 32 | 17.6 Ų | 17.6 | 14% | 0.139 | 9% | 0.092 | C | C | . | . | trans | -75 | 123 | 171 | -169.2 | -154.9 | -179.7 | -160.1 | 0 | 110.5 | D248 R281 D288 E289 R290 M326 L328 | K243-D248 WeakPolarHBondContact CA-O 2.97Å; K243-D248 WeakPolarHBondContact CE-OD1 3.47Å; K243-D248 HydrophobicContact CG-CB 4.4Å; K243-R281 PolarHBondContact O-NH1 3.35Å; K243-D288 PolarHBondContact NZ-O 3.16Å; K243-E289 WeakPolarHBondContact O-CB 3.28Å; K243-R290 HydrophobicContact CB-CB 3.75Å; K243-R290 HydrophobicContact CB-CG 3.91Å; K243-R290 HydrophobicContact CD-CG 4.27Å; K243-R290 PolarHBondContact O-N 2.84Å; K243-M326 HydrophobicContact CD-SD 3.64Å; K243-M326 PolarHBondContact NZ-SD 3.14Å; K243-L328 HydrophobicContact CB-CD2 4.18Å; K243-L328 HydrophobicContact CD-CD2 3.83Å; K243-L328 HydrophobicContact CG-CD2 3.78Å | ||
| 244 | T | 83.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -109.6 | 168.7 | 165.6 | 69.8 | 0 | 0 | 0 | 0 | 111.4 | K246 N247 E289 | T244-K246 VanDerWaalsContact C-N 3.29Å; T244-K246 PolarHBondContact O-N 2.68Å; T244-N247 PolarHBondContact N-O 3.09Å; T244-N247 PolarHBondContact O-N 2.73Å; T244-N247 PolarHBondContact OG1-N 3.19Å; T244-N247 VanDerWaalsContact OG1-N 3.09Å; T244-N247 PolarHBondContact OG1-O 2.8Å; T244-E289 WeakPolarHBondContact CA-OE1 3.44Å; T244-E289 WeakPolarHBondContact CB-OE1 3.45Å | ||
| 245 | I | 82.6 | Confident | 87.2 | Confident | 94 Ų | 94 | 15.8 Ų | 15.8 | 48% | 0.482 | 8% | 0.081 | S | C | . | . | S | Bend | trans | -54.2 | -48.7 | 173.9 | -59.9 | 172.7 | 0 | 0 | 0 | 110.1 | E289 K690 | I245-E289 HydrophobicContact CG1-CG 3.88Å; I245-E289 PolarHBondContact N-OE1 2.78Å; I245-K690 WeakPolarHBondContact O-CE 3.3Å; I245-K690 PolarHBondContact O-NZ 2.86Å |
| 246 | K | 78.2 | Confident | 87.2 | Confident | 41 Ų | 41 | 15.8 Ų | 15.8 | 18% | 0.178 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -73.8 | -31.5 | -178.2 | -70.9 | -165.4 | 173.2 | -164.7 | 0 | 114.2 | E178 T244 K690 | E178-K246 IonicContact OE2-NZ 2.65Å; E178-K246 PolarHBondContact OE2-NZ 2.72Å; E178-K246 VanDerWaalsContact OE2-NZ 3.15Å; T244-K246 VanDerWaalsContact C-N 3.29Å; T244-K246 PolarHBondContact O-N 2.68Å; K246-K690 WeakPolarHBondContact O-CE 3.17Å |
| 247 | N | 81 | Confident | 87.2 | Confident | 39 Ų | 39 | 15.7 Ų | 15.7 | 21% | 0.209 | 8% | 0.081 | C | C | . | . | trans | -146.5 | 128.3 | -171.5 | 179.6 | 22.4 | 0 | 0 | 0 | 112.7 | T244 N249 S250 | T244-N247 PolarHBondContact N-O 3.09Å; T244-N247 PolarHBondContact O-N 2.73Å; T244-N247 PolarHBondContact OG1-N 3.19Å; T244-N247 VanDerWaalsContact OG1-N 3.09Å; T244-N247 PolarHBondContact OG1-O 2.8Å; N247-N249 PolarHBondContact ND2-O 2.81Å; N247-N249 PolarHBondContact OD1-N 3.23Å; N247-S250 WeakPolarHBondContact ND2-CA 3.03Å; N247-S250 VanDerWaalsContact ND2-CB 3.31Å; N247-S250 WeakPolarHBondContact ND2-CB 3.46Å; N247-S250 PolarHBondContact ND2-OG 2.77Å; N247-S250 VanDerWaalsContact ND2-OG 3.12Å | ||
| 248 | D | 83.3 | Confident | 87.3 | Confident | 35 Ų | 35 | 18.8 Ų | 18.8 | 19% | 0.187 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -79.4 | -21.3 | -171.3 | -65.7 | -40.4 | 0 | 0 | 0 | 114.8 | K243 H293 L328 K690 | K243-D248 WeakPolarHBondContact CA-O 2.97Å; K243-D248 WeakPolarHBondContact CE-OD1 3.47Å; K243-D248 HydrophobicContact CG-CB 4.4Å; D248-H293 PolarHBondContact O-CE1 2.53Å; D248-L328 HydrophobicContact CB-CD2 3.93Å; D248-K690 IonicContact OD1-NZ 3.58Å; D248-K690 PolarHBondContact OD1-NZ 3.21Å; D248-K690 VanDerWaalsContact OD2-CD 3.25Å; D248-K690 WeakPolarHBondContact OD2-CD 3.42Å; D248-K690 IonicContact OD2-NZ 3.02Å; D248-K690 PolarHBondContact OD2-NZ 2.84Å |
| 249 | N | 84.3 | Confident | 87.2 | Confident | 45 Ų | 45 | 18.7 Ų | 18.7 | 24% | 0.241 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -130.7 | 82.5 | 170.7 | 179.3 | 14.4 | 0 | 0 | 0 | 107.9 | N241 N247 H293 | N241-N249 WeakPolarHBondContact CB-OD1 3.44Å; N241-N249 PolarHBondContact ND2-OD1 2.79Å; N247-N249 PolarHBondContact ND2-O 2.81Å; N247-N249 PolarHBondContact OD1-N 3.23Å; N249-H293 PolarHBondContact OD1-NE2 3.15Å |
| 250 | S | 83.7 | Confident | 87.1 | Confident | 4 Ų | 4 | 19.5 Ų | 19.5 | 3% | 0.028 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 118.8 | -172.7 | -149.4 | 0 | 0 | 0 | 0 | 112.2 | S179 N241 A242 N247 R252 | S179-S250 PolarHBondContact OG-OG 2.85Å; N241-S250 CarbonylContact C-O 3.54Å; N241-S250 VanDerWaalsContact CA-O 3.24Å; N241-S250 WeakPolarHBondContact CA-O 3.13Å; A242-S250 PolarHBondContact N-O 2.68Å; A242-S250 WeakPolarHBondContact O-CA 3.42Å; A242-S250 WeakPolarHBondContact O-CB 3.07Å; A242-S250 PolarHBondContact O-N 2.72Å; N247-S250 WeakPolarHBondContact ND2-CA 3.03Å; N247-S250 VanDerWaalsContact ND2-CB 3.31Å; N247-S250 WeakPolarHBondContact ND2-CB 3.46Å; N247-S250 PolarHBondContact ND2-OG 2.77Å; N247-S250 VanDerWaalsContact ND2-OG 3.12Å; S250-R252 WeakPolarHBondContact O-CD 3.12Å; S250-R252 WeakPolarHBondContact O-CG 3.09Å; S250-R252 PolarHBondContact O-N 3.37Å |
| 251 | S | 86.3 | Confident | 87 | Confident | 6 Ų | 6 | 19.5 Ų | 19.5 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 120.5 | 171.1 | -60.5 | 0 | 0 | 0 | 0 | 110.7 | N241 F253 | N241-S251 VanDerWaalsContact CG-OG 3.28Å; N241-S251 PolarHBondContact ND2-OG 3.37Å; N241-S251 WeakPolarHBondContact OD1-CA 3.44Å; N241-S251 WeakPolarHBondContact OD1-CB 3.04Å; N241-S251 PolarHBondContact OD1-OG 2.74Å; S251-F253 VanDerWaalsContact C-N 3.3Å |
| 252 | R | 86.7 | Confident | 86.8 | Confident | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -100.6 | 29.6 | 176.1 | -48.3 | -52 | -59.9 | 160.2 | -6.5 | 111.4 | G240 A242 S250 L277 E278 F292 E475 | G240-R252 PolarHBondContact O-N 2.81Å; A242-R252 HydrophobicContact CB-CG 3.94Å; S250-R252 WeakPolarHBondContact O-CD 3.12Å; S250-R252 WeakPolarHBondContact O-CG 3.09Å; S250-R252 PolarHBondContact O-N 3.37Å; R252-L277 CarbonylContact O-C 3.44Å; R252-L277 WeakPolarHBondContact O-CA 3.42Å; R252-E278 HydrophobicContact CB-CB 3.81Å; R252-E278 IonicContact CZ-OE1 2.62Å; R252-E278 IonicContact CZ-OE2 2.76Å; R252-E278 IonicContact NE-OE1 2.79Å; R252-E278 IonicContact NE-OE2 3.24Å; R252-E278 PolarHBondContact NE-OE2 3.1Å; R252-E278 VanDerWaalsContact NH2-CD 3.35Å; R252-E278 IonicContact NH2-OE1 2.77Å; R252-E278 PolarHBondContact NH2-OE1 2.83Å; R252-E278 IonicContact NH2-OE2 3.95Å; R252-E278 PolarHBondContact NH2-OE2 2.85Å; R252-E278 PolarHBondContact O-N 3.1Å; R252-F292 HydrophobicContact CB-CE1 3.96Å; R252-F292 HydrophobicContact CB-CZ 4.33Å; R252-F292 HydrophobicContact CG-CE1 4.27Å; R252-E475 IonicContact CZ-OE1 3.11Å; R252-E475 IonicContact CZ-OE2 2.88Å; R252-E475 VanDerWaalsContact CZ-OE2 3.26Å; R252-E475 IonicContact NH1-OE1 2.72Å; R252-E475 PolarHBondContact NH1-OE1 2.58Å; R252-E475 IonicContact NH1-OE2 3.4Å; R252-E475 PolarHBondContact NH1-OE2 2.96Å; R252-E475 IonicContact NH2-OE2 3.66Å; R252-E475 PolarHBondContact NH2-OE2 2.65Å |
| 253 | F | 86.4 | Confident | 86.6 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.013 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -154.2 | 156.5 | 176.5 | 71.1 | -67.9 | 0 | 0 | 0 | 108.8 | L236 G240 N241 S251 K255 T274 L276 L277 F444 | L236-F253 HydrophobicContact CB-CZ 4.01Å; G240-F253 VanDerWaalsContact O-CD1 3.31Å; G240-F253 WeakPolarHBondContact O-CD1 3.45Å; N241-F253 WeakPolarHBondContact OD1-CE1 3Å; S251-F253 VanDerWaalsContact C-N 3.3Å; F253-K255 HydrophobicContact CD2-CB 4.31Å; F253-K255 HydrophobicContact CE2-CB 3.81Å; F253-K255 HydrophobicContact CE2-CD 4.05Å; F253-K255 HydrophobicContact CE2-CG 4.29Å; F253-K255 HydrophobicContact CZ-CD 4.07Å; F253-T274 HydrophobicContact CD2-CG2 3.92Å; F253-T274 HydrophobicContact CE2-CG2 4Å; F253-L276 WeakPolarHBondContact CA-O 3.04Å; F253-L277 HydrophobicContact CB-CD1 4.25Å; F253-F444 HydrophobicContact CD1-CZ 4.33Å; F253-F444 HydrophobicContact CD2-CE1 4.16Å; F253-F444 AromaticContact CD2-CZ 3.61Å; F253-F444 HydrophobicContact CD2-CZ 3.61Å; F253-F444 HydrophobicContact CE1-CZ 4.46Å; F253-F444 AromaticContact CE2-CZ 3.73Å; F253-F444 HydrophobicContact CE2-CZ 3.73Å; F253-F444 HydrophobicContact CG-CE1 4.45Å; F253-F444 AromaticContact CG-CZ 3.93Å; F253-F444 HydrophobicContact CG-CZ 3.93Å; F253-F444 HydrophobicContact CZ-CZ 4.19Å |
| 254 | G | 84.8 | Confident | 86.5 | Confident | 5 Ų | 5 | 30.2 Ų | 30.2 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 144.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T274 Y275 | G254-T274 CarbonylContact O-C 3.58Å; G254-T274 WeakPolarHBondContact O-CA 3.17Å; G254-Y275 PolarHBondContact N-O 3.49Å; G254-Y275 PolarHBondContact O-N 3.42Å |
| 255 | K | 89 | Confident | 86.7 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129 | 172.9 | 58.8 | -172.4 | 176.2 | -179.8 | 0 | 111 | N233 E237 F253 I257 I272 E273 D470 | N233-K255 PolarHBondContact OD1-NZ 3.14Å; E237-K255 IonicContact OE1-NZ 2.62Å; F253-K255 HydrophobicContact CD2-CB 4.31Å; F253-K255 HydrophobicContact CE2-CB 3.81Å; F253-K255 HydrophobicContact CE2-CD 4.05Å; F253-K255 HydrophobicContact CE2-CG 4.29Å; F253-K255 HydrophobicContact CZ-CD 4.07Å; K255-I257 HydrophobicContact CD-CD1 4.3Å; K255-I272 HydrophobicContact CB-CG2 4.41Å; K255-E273 WeakPolarHBondContact CA-O 3.37Å; K255-D470 WeakPolarHBondContact CE-OD2 3.26Å; K255-D470 HydrophobicContact CG-CB 3.93Å; K255-D470 PolarHBondContact N-O 2.71Å; K255-D470 IonicContact NZ-OD2 3.97Å; K255-D470 PolarHBondContact O-N 3.34Å; K255-D470 VanDerWaalsContact O-O 3.07Å |
| 256 | F | 91.9 | Very high | 86.9 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 113.6 | 170.1 | -177.9 | -114.9 | 0 | 0 | 0 | 108.1 | R258 E273 Y275 F465 I468 L469 L669 V672 L673 | F256-R258 HydrophobicContact CE1-CB 4.5Å; F256-E273 HydrophobicContact CB-CB 4.39Å; F256-E273 PolarHBondContact N-O 3.43Å; F256-E273 PolarHBondContact O-N 2.81Å; F256-Y275 HydrophobicContact CB-CE2 4.04Å; F256-F465 HydrophobicContact CZ-CE2 4.25Å; F256-I468 WeakPolarHBondContact CA-O 3.38Å; F256-L469 HydrophobicContact CB-CD1 4.27Å; F256-L469 HydrophobicContact CD2-CB 4.14Å; F256-L469 HydrophobicContact CD2-CD1 4.27Å; F256-L669 HydrophobicContact CB-CD1 3.98Å; F256-L669 HydrophobicContact CD1-CD1 4.17Å; F256-L669 HydrophobicContact CD2-CD1 4.04Å; F256-L669 HydrophobicContact CG-CD1 3.81Å; F256-V672 HydrophobicContact CE1-CG1 3.82Å; F256-V672 HydrophobicContact CZ-CG1 3.9Å; F256-L673 HydrophobicContact CE2-CD2 3.88Å; F256-L673 HydrophobicContact CZ-CD2 4.48Å |
| 257 | I | 93 | Very high | 87.4 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 103.6 | -174.3 | -59.7 | 171.9 | 0 | 0 | 0 | 107.6 | T187 I191 L229 K255 I259 I272 I468 | T187-I257 HydrophobicContact CG2-CD1 4.43Å; I191-I257 HydrophobicContact CD1-CD1 3.7Å; L229-I257 HydrophobicContact CD1-CG2 4.32Å; K255-I257 HydrophobicContact CD-CD1 4.3Å; I257-I259 HydrophobicContact CG2-CG1 4.27Å; I257-I272 HydrophobicContact CG1-CD1 4.49Å; I257-I272 HydrophobicContact CG1-CG1 4.23Å; I257-I272 HydrophobicContact CG1-CG2 4.16Å; I257-I272 HydrophobicContact CG2-CG1 4.44Å; I257-I468 PolarHBondContact N-O 2.67Å; I257-I468 PolarHBondContact O-N 2.86Å |
| 258 | R | 92 | Very high | 87.6 | Confident | 80 Ų | 80 | 26.5 Ų | 26.5 | 30% | 0.302 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 112.7 | 176.1 | 171.7 | 170.6 | 176.6 | 157.2 | 7.8 | 109.3 | F256 N260 A270 N271 F465 | F256-R258 HydrophobicContact CE1-CB 4.5Å; R258-N260 WeakPolarHBondContact CG-OD1 3.37Å; R258-N260 PolarHBondContact NE-OD1 2.65Å; R258-A270 CarbonylContact O-C 3.52Å; R258-A270 VanDerWaalsContact O-CA 3.23Å; R258-A270 WeakPolarHBondContact O-CA 3.07Å; R258-N271 PolarHBondContact N-O 3.24Å; R258-N271 PolarHBondContact O-N 2.8Å; R258-F465 HydrophobicContact CB-CD2 4.44Å; R258-F465 HydrophobicContact CG-CB 3.89Å; R258-F465 HydrophobicContact CG-CD2 3.66Å; R258-F465 HydrophobicContact CG-CE2 4.36Å; R258-F465 HydrophobicContact CG-CG 3.86Å; R258-F465 VanDerWaalsContact NH2-CD1 3.27Å |
| 259 | I | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 118.2 | 172.8 | -56.2 | 174 | 0 | 0 | 0 | 107.8 | L194 L229 I257 F261 I267 F465 V466 I468 | L194-I259 HydrophobicContact CD1-CD1 3.93Å; L229-I259 HydrophobicContact CD2-CD1 3.99Å; L229-I259 HydrophobicContact CD2-CG1 4.16Å; I257-I259 HydrophobicContact CG2-CG1 4.27Å; I259-F261 HydrophobicContact CB-CE2 4Å; I259-F261 HydrophobicContact CB-CZ 4.3Å; I259-F261 HydrophobicContact CG2-CD2 4.44Å; I259-F261 HydrophobicContact CG2-CE1 4.34Å; I259-F261 HydrophobicContact CG2-CE2 3.7Å; I259-F261 HydrophobicContact CG2-CZ 3.65Å; I259-F261 WeakPolarHBondContact O-CD2 3.39Å; I259-F261 VanDerWaalsContact O-CE2 3.31Å; I259-F261 WeakPolarHBondContact O-CE2 3.38Å; I259-I267 HydrophobicContact CG2-CD1 4.12Å; I259-I267 HydrophobicContact CG2-CG1 3.91Å; I259-I267 HydrophobicContact CG2-CG2 3.92Å; I259-F465 CarbonylContact O-C 3.56Å; I259-F465 WeakPolarHBondContact O-CA 3.43Å; I259-F465 VanDerWaalsContact O-CB 3.3Å; I259-F465 WeakPolarHBondContact O-CB 3.35Å; I259-V466 PolarHBondContact N-O 2.75Å; I259-V466 PolarHBondContact O-N 2.69Å; I259-I468 HydrophobicContact CD1-CD1 3.88Å |
| 260 | N | 91.1 | Very high | 88.1 | Confident | 19 Ų | 19 | 22.8 Ų | 22.8 | 10% | 0.102 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 135.6 | -178.6 | -68.2 | -31.4 | 0 | 0 | 0 | 110.4 | R258 A268 G269 | R258-N260 WeakPolarHBondContact CG-OD1 3.37Å; R258-N260 PolarHBondContact NE-OD1 2.65Å; N260-A268 PolarHBondContact O-N 2.67Å; N260-G269 PolarHBondContact N-O 3.39Å |
| 261 | F | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 149.3 | -178.6 | -63.2 | -94 | 0 | 0 | 0 | 112.2 | Y161 M164 A198 I259 G265 F266 I267 G462 A463 S464 V466 | Y161-F261 HydrophobicContact CD2-CE1 4.13Å; Y161-F261 HydrophobicContact CD2-CZ 4.44Å; Y161-F261 HydrophobicContact CE2-CD1 4.2Å; Y161-F261 AromaticContact CE2-CE1 3.93Å; Y161-F261 HydrophobicContact CE2-CE1 3.93Å; M164-F261 HydrophobicContact CE-CB 3.85Å; M164-F261 HydrophobicContact CE-CD1 4.04Å; M164-F261 HydrophobicContact CE-CD2 3.72Å; M164-F261 HydrophobicContact CE-CE2 4.27Å; M164-F261 HydrophobicContact CE-CG 3.59Å; M164-F261 HydrophobicContact SD-CB 4.28Å; M164-F261 HydrophobicContact SD-CD2 3.47Å; M164-F261 WeakPolarHBondContact SD-CD2 3.46Å; M164-F261 HydrophobicContact SD-CE2 3.97Å; M164-F261 HydrophobicContact SD-CG 3.97Å; A198-F261 HydrophobicContact CB-CD1 4.37Å; A198-F261 HydrophobicContact CB-CE1 3.8Å; I259-F261 HydrophobicContact CB-CE2 4Å; I259-F261 HydrophobicContact CB-CZ 4.3Å; I259-F261 HydrophobicContact CG2-CD2 4.44Å; I259-F261 HydrophobicContact CG2-CE1 4.34Å; I259-F261 HydrophobicContact CG2-CE2 3.7Å; I259-F261 HydrophobicContact CG2-CZ 3.65Å; I259-F261 WeakPolarHBondContact O-CD2 3.39Å; I259-F261 VanDerWaalsContact O-CE2 3.31Å; I259-F261 WeakPolarHBondContact O-CE2 3.38Å; F261-G265 WeakPolarHBondContact CD1-O 3.09Å; F261-F266 CarbonylContact C-O 3.01Å; F261-F266 VanDerWaalsContact CA-O 3.28Å; F261-F266 WeakPolarHBondContact CA-O 3.24Å; F261-I267 HydrophobicContact CD1-CG1 4.12Å; F261-I267 HydrophobicContact CE1-CG1 3.65Å; F261-I267 HydrophobicContact CZ-CG1 4.27Å; F261-G462 CarbonylContact O-C 3.6Å; F261-G462 VanDerWaalsContact O-CA 3.26Å; F261-G462 WeakPolarHBondContact O-CA 3.25Å; F261-A463 PolarHBondContact O-N 3.2Å; F261-S464 PolarHBondContact N-O 2.97Å; F261-V466 HydrophobicContact CD2-CG2 4.42Å; F261-V466 HydrophobicContact CE2-CB 3.94Å; F261-V466 HydrophobicContact CE2-CG2 3.64Å; F261-V466 HydrophobicContact CZ-CG2 4.26Å |
| 262 | D | 86.2 | Confident | 88.7 | Confident | 52 Ų | 52 | 24.7 Ų | 24.7 | 28% | 0.278 | 14% | 0.136 | S | C | . | . | trans | -79.6 | 170.7 | 170.1 | 86.4 | -11.6 | 0 | 0 | 0 | 111.9 | S264 G265 F266 | D262-S264 PolarHBondContact O-N 2.77Å; D262-S264 VanDerWaalsContact OD1-CA 3.28Å; D262-S264 WeakPolarHBondContact OD1-CA 2.95Å; D262-S264 VanDerWaalsContact OD1-CB 3.27Å; D262-S264 WeakPolarHBondContact OD1-CB 3.39Å; D262-S264 PolarHBondContact OD1-N 2.69Å; D262-G265 PolarHBondContact O-N 2.8Å; D262-G265 PolarHBondContact OD1-N 2.98Å; D262-F266 PolarHBondContact N-O 2.73Å; D262-F266 PolarHBondContact OD1-N 2.89Å | ||
| 263 | T | 84.9 | Confident | 88.8 | Confident | 129 Ų | 129 | 27.4 Ų | 27.4 | 79% | 0.791 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -0.8 | 178.8 | 61.9 | 0 | 0 | 0 | 0 | 114.4 | A463 | T263-A463 HydrophobicContact CG2-CB 3.59Š|
| 264 | S | 85.9 | Confident | 88.9 | Confident | 77 Ų | 77 | 28.7 Ų | 28.7 | 54% | 0.538 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -4.4 | 174.4 | -46.1 | 0 | 0 | 0 | 0 | 112.6 | D262 | D262-S264 PolarHBondContact O-N 2.77Å; D262-S264 VanDerWaalsContact OD1-CA 3.28Å; D262-S264 WeakPolarHBondContact OD1-CA 2.95Å; D262-S264 VanDerWaalsContact OD1-CB 3.27Å; D262-S264 WeakPolarHBondContact OD1-CB 3.39Å; D262-S264 PolarHBondContact OD1-N 2.69Å |
| 265 | G | 86.6 | Confident | 88.7 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | 89.2 | 8.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y161 A198 F261 D262 | Y161-G265 WeakPolarHBondContact CE2-O 3.47Å; Y161-G265 PolarHBondContact OH-O 3.11Å; Y161-G265 VanDerWaalsContact OH-O 3.05Å; A198-G265 WeakPolarHBondContact CB-O 3.37Å; F261-G265 WeakPolarHBondContact CD1-O 3.09Å; D262-G265 PolarHBondContact O-N 2.8Å; D262-G265 PolarHBondContact OD1-N 2.98Å |
| 266 | F | 87.6 | Confident | 87.9 | Confident | 68 Ų | 68 | 31.8 Ų | 31.8 | 30% | 0.298 | 17% | 0.171 | S | C | . | . | trans | -86.6 | 148.6 | 176.1 | -58.6 | -65.1 | 0 | 0 | 0 | 111.6 | A198 F261 D262 A268 | A198-F266 WeakPolarHBondContact O-CA 3.46Å; F261-F266 CarbonylContact C-O 3.01Å; F261-F266 VanDerWaalsContact CA-O 3.28Å; F261-F266 WeakPolarHBondContact CA-O 3.24Å; D262-F266 PolarHBondContact N-O 2.73Å; D262-F266 PolarHBondContact OD1-N 2.89Å; F266-A268 PolarHBondContact O-N 3.39Å | ||
| 267 | I | 88.1 | Confident | 87.6 | Confident | 15 Ų | 15 | 32.4 Ų | 32.4 | 8% | 0.077 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 122.6 | 175 | -60.6 | 172.5 | 0 | 0 | 0 | 109.2 | A198 L225 E226 I259 F261 | A198-I267 HydrophobicContact CB-CD1 4.26Å; A198-I267 HydrophobicContact CB-CG1 3.87Å; A198-I267 PolarHBondContact O-N 3.43Å; L225-I267 HydrophobicContact CD2-CG2 3.98Å; E226-I267 HydrophobicContact CG-CD1 4.34Å; I259-I267 HydrophobicContact CG2-CD1 4.12Å; I259-I267 HydrophobicContact CG2-CG1 3.91Å; I259-I267 HydrophobicContact CG2-CG2 3.92Å; F261-I267 HydrophobicContact CD1-CG1 4.12Å; F261-I267 HydrophobicContact CE1-CG1 3.65Å; F261-I267 HydrophobicContact CZ-CG1 4.27Å |
| 268 | A | 85.1 | Confident | 87.1 | Confident | 12 Ų | 12 | 33 Ų | 33 | 10% | 0.099 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -35.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N260 F266 T458 | N260-A268 PolarHBondContact O-N 2.67Å; F266-A268 PolarHBondContact O-N 3.39Å; A268-T458 WeakPolarHBondContact O-CG2 3.44Å; A268-T458 PolarHBondContact O-OG1 2.73Å |
| 269 | G | 88.7 | Confident | 86.7 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.9 | 176.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | N260 L455 | N260-G269 PolarHBondContact N-O 3.39Å; G269-L455 WeakPolarHBondContact CA-O 3.13Å |
| 270 | A | 90.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 151.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L229 R258 L455 | L229-A270 HydrophobicContact CD1-CB 3.8Å; R258-A270 CarbonylContact O-C 3.52Å; R258-A270 VanDerWaalsContact O-CA 3.23Å; R258-A270 WeakPolarHBondContact O-CA 3.07Å; A270-L455 HydrophobicContact CB-CB 4.27Å; A270-L455 HydrophobicContact CB-CD1 4.26Å; A270-L455 PolarHBondContact N-O 2.62Å; A270-L455 WeakPolarHBondContact O-CB 3.22Å |
| 271 | N | 91 | Very high | 86 | Confident | 48 Ų | 48 | 31.4 Ų | 31.4 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 135.9 | 177.2 | -178.5 | 40.3 | 0 | 0 | 0 | 110 | R258 N452 | R258-N271 PolarHBondContact N-O 3.24Å; R258-N271 PolarHBondContact O-N 2.8Å; N271-N452 VanDerWaalsContact OD1-CG 3.25Å; N271-N452 PolarHBondContact OD1-ND2 2.79Å |
| 272 | I | 91.9 | Very high | 86 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 112.3 | 177.6 | -52 | -176 | 0 | 0 | 0 | 109 | A232 L236 K255 I257 T274 V448 I451 N452 L455 | A232-I272 HydrophobicContact CB-CD1 4.18Å; L236-I272 HydrophobicContact CD1-CD1 3.79Å; L236-I272 HydrophobicContact CD1-CG2 4.05Å; K255-I272 HydrophobicContact CB-CG2 4.41Å; I257-I272 HydrophobicContact CG1-CD1 4.49Å; I257-I272 HydrophobicContact CG1-CG1 4.23Å; I257-I272 HydrophobicContact CG1-CG2 4.16Å; I257-I272 HydrophobicContact CG2-CG1 4.44Å; I272-T274 HydrophobicContact CG2-CG2 4.33Å; I272-V448 WeakPolarHBondContact O-CG1 3.21Å; I272-I451 HydrophobicContact CD1-CG2 4.01Å; I272-N452 WeakPolarHBondContact CB-OD1 3.21Å; I272-N452 PolarHBondContact N-OD1 3.43Å; I272-N452 PolarHBondContact O-ND2 2.8Å; I272-L455 HydrophobicContact CD1-CD1 4.2Å; I272-L455 HydrophobicContact CG1-CD1 4.32Å |
| 273 | E | 88.8 | Confident | 86.1 | Confident | 59 Ų | 59 | 29.7 Ų | 29.7 | 28% | 0.276 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.9 | 171.4 | -63.4 | 177.9 | 179.4 | 0 | 0 | 109.6 | K255 F256 Y275 | K255-E273 WeakPolarHBondContact CA-O 3.37Å; F256-E273 HydrophobicContact CB-CB 4.39Å; F256-E273 PolarHBondContact N-O 3.43Å; F256-E273 PolarHBondContact O-N 2.81Å; E273-Y275 HydrophobicContact CB-CE2 3.62Å; E273-Y275 PolarHBondContact OE2-OH 2.82Å |
| 274 | T | 88.1 | Confident | 86 | Confident | 31 Ų | 31 | 29.7 Ų | 29.7 | 19% | 0.19 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 144.6 | -179.7 | 55 | 0 | 0 | 0 | 0 | 112.2 | F253 G254 I272 F444 V448 | F253-T274 HydrophobicContact CD2-CG2 3.92Å; F253-T274 HydrophobicContact CE2-CG2 4Å; G254-T274 CarbonylContact O-C 3.58Å; G254-T274 WeakPolarHBondContact O-CA 3.17Å; I272-T274 HydrophobicContact CG2-CG2 4.33Å; T274-F444 HydrophobicContact CG2-CE1 4.01Å; T274-F444 HydrophobicContact CG2-CZ 4.14Å; T274-V448 HydrophobicContact CG2-CG1 4.18Å; T274-V448 HydrophobicContact CG2-CG2 3.67Å |
| 275 | Y | 79.8 | Confident | 86 | Confident | 25 Ų | 25 | 27.1 Ų | 27.1 | 10% | 0.098 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 121.5 | -168.1 | -66.9 | -89.1 | 0 | 0 | 0 | 110.1 | G254 F256 E273 S665 L669 | G254-Y275 PolarHBondContact N-O 3.49Å; G254-Y275 PolarHBondContact O-N 3.42Å; F256-Y275 HydrophobicContact CB-CE2 4.04Å; E273-Y275 HydrophobicContact CB-CE2 3.62Å; E273-Y275 PolarHBondContact OE2-OH 2.82Å; Y275-S665 WeakPolarHBondContact CE1-O 3.07Å; Y275-L669 HydrophobicContact CD1-CD2 4.43Å; Y275-L669 HydrophobicContact CD2-CD2 4.27Å; Y275-L669 HydrophobicContact CE1-CB 3.85Å; Y275-L669 HydrophobicContact CE1-CD2 4.32Å; Y275-L669 HydrophobicContact CE2-CD1 4.19Å; Y275-L669 HydrophobicContact CE2-CD2 4.16Å; Y275-L669 HydrophobicContact CG-CD2 4.43Å |
| 276 | L | 73.1 | Confident | 85.8 | Confident | 46 Ų | 46 | 29.6 Ų | 29.6 | 24% | 0.241 | 15% | 0.151 | C | C | . | . | trans | 44.5 | 88.9 | 176.9 | -172.9 | 79.5 | 0 | 0 | 0 | 115.5 | F253 C486 I487 Y662 | F253-L276 WeakPolarHBondContact CA-O 3.04Å; L276-C486 HydrophobicContact CD2-CB 3.56Å; L276-I487 HydrophobicContact CD2-CG1 4.42Å; L276-Y662 HydrophobicContact CB-CD2 3.71Å; L276-Y662 HydrophobicContact CB-CE2 3.39Å; L276-Y662 HydrophobicContact CD1-CD2 4.23Å; L276-Y662 HydrophobicContact CD1-CE2 4.49Å; L276-Y662 HydrophobicContact CD1-CG 4.46Å; L276-Y662 HydrophobicContact CD2-CD2 4.39Å; L276-Y662 HydrophobicContact CD2-CE1 4.27Å; L276-Y662 HydrophobicContact CD2-CE2 3.89Å; L276-Y662 HydrophobicContact CG-CD2 4.34Å; L276-Y662 HydrophobicContact CG-CE2 4.12Å | ||
| 277 | L | 84.5 | Confident | 85.6 | Confident | 14 Ų | 14 | 31.5 Ų | 31.5 | 7% | 0.073 | 17% | 0.168 | C | C | . | . | trans | -73.5 | 130.6 | 164.5 | -174.5 | 69.4 | 0 | 0 | 0 | 110.1 | R252 F253 K279 F292 Y440 F444 | R252-L277 CarbonylContact O-C 3.44Å; R252-L277 WeakPolarHBondContact O-CA 3.42Å; F253-L277 HydrophobicContact CB-CD1 4.25Å; L277-K279 PolarHBondContact O-N 3.31Å; L277-F292 HydrophobicContact CD1-CE1 3.68Å; L277-F292 HydrophobicContact CD1-CZ 3.76Å; L277-F292 HydrophobicContact CG-CZ 4.13Å; L277-Y440 HydrophobicContact CD2-CD1 3.96Å; L277-Y440 HydrophobicContact CD2-CE1 4.1Å; L277-F444 HydrophobicContact CD1-CD1 4.33Å; L277-F444 HydrophobicContact CD1-CE1 4.35Å; L277-F444 HydrophobicContact CD1-CG 4.44Å; L277-F444 HydrophobicContact CD1-CZ 4.5Å; L277-F444 HydrophobicContact CD2-CB 3.88Å; L277-F444 HydrophobicContact CD2-CD1 4Å; L277-F444 HydrophobicContact CD2-CG 3.95Å | ||
| 278 | E | 82.4 | Confident | 85.4 | Confident | 14 Ų | 14 | 35.9 Ų | 35.9 | 7% | 0.065 | 19% | 0.192 | C | C | . | . | trans | -72.4 | 66 | 175.9 | -165.8 | -173.7 | -128.5 | 0 | 0 | 112 | R252 A280 R281 E483 Q484 | R252-E278 HydrophobicContact CB-CB 3.81Å; R252-E278 IonicContact CZ-OE1 2.62Å; R252-E278 IonicContact CZ-OE2 2.76Å; R252-E278 IonicContact NE-OE1 2.79Å; R252-E278 IonicContact NE-OE2 3.24Å; R252-E278 PolarHBondContact NE-OE2 3.1Å; R252-E278 VanDerWaalsContact NH2-CD 3.35Å; R252-E278 IonicContact NH2-OE1 2.77Å; R252-E278 PolarHBondContact NH2-OE1 2.83Å; R252-E278 IonicContact NH2-OE2 3.95Å; R252-E278 PolarHBondContact NH2-OE2 2.85Å; R252-E278 PolarHBondContact O-N 3.1Å; E278-A280 PolarHBondContact O-N 3.3Å; E278-R281 HydrophobicContact CG-CB 4.48Å; E278-R281 WeakPolarHBondContact O-CB 3.44Å; E278-R281 PolarHBondContact O-N 2.9Å; E278-R281 IonicContact OE1-NH2 3.15Å; E278-R281 IonicContact OE2-CZ 3.85Å; E278-R281 IonicContact OE2-NE 3.71Å; E278-R281 PolarHBondContact OE2-NE 3.36Å; E278-R281 IonicContact OE2-NH2 3.67Å; E278-R281 PolarHBondContact OE2-NH2 3.33Å; E278-R281 VanDerWaalsContact OE2-NH2 3.14Å; E278-E483 HydrophobicContact CG-CB 4.27Å; E278-E483 HydrophobicContact CG-CG 4.41Å; E278-Q484 PolarHBondContact OE1-NE2 2.8Å | ||
| 279 | K | 83.8 | Confident | 85.6 | Confident | 30 Ų | 30 | 35.5 Ų | 35.5 | 13% | 0.13 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -57 | -24.3 | -175.1 | 52.4 | 176.6 | 155.1 | -178.4 | 0 | 114.6 | L277 R281 V282 K437 E441 D604 | L277-K279 PolarHBondContact O-N 3.31Å; K279-R281 PolarHBondContact O-N 2.92Å; K279-V282 VanDerWaalsContact O-CB 3.3Å; K279-V282 WeakPolarHBondContact O-CB 3.24Å; K279-V282 VanDerWaalsContact O-CG2 3.3Å; K279-V282 WeakPolarHBondContact O-CG2 3.25Å; K279-V282 PolarHBondContact O-N 2.8Å; K279-V282 VanDerWaalsContact O-N 3.12Å; K279-K437 HydrophobicContact CB-CB 4.16Å; K279-K437 HydrophobicContact CB-CG 4.38Å; K279-K437 HydrophobicContact CD-CB 4.18Å; K279-K437 HydrophobicContact CG-CB 4.45Å; K279-K437 HydrophobicContact CG-CD 4.39Å; K279-E441 WeakPolarHBondContact CD-OE2 3.01Å; K279-E441 WeakPolarHBondContact CE-OE1 3.16Å; K279-E441 WeakPolarHBondContact CE-OE2 3.48Å; K279-E441 VanDerWaalsContact NZ-CD 3.34Å; K279-E441 IonicContact NZ-OE1 2.79Å; K279-E441 PolarHBondContact NZ-OE1 3.46Å; K279-E441 IonicContact NZ-OE2 3.14Å; K279-E441 PolarHBondContact NZ-OE2 2.69Å; K279-D604 VanDerWaalsContact CE-OD2 3.31Å; K279-D604 WeakPolarHBondContact CE-OD2 3.24Å; K279-D604 IonicContact NZ-OD2 2.72Å; K279-D604 PolarHBondContact NZ-OD2 2.88Å |
| 280 | A | 81.5 | Confident | 85.6 | Confident | 21 Ų | 21 | 35.5 Ų | 35.5 | 17% | 0.174 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -57.2 | -30.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | E278 V282 I283 R284 E483 | E278-A280 PolarHBondContact O-N 3.3Å; A280-V282 PolarHBondContact O-N 2.7Å; A280-I283 WeakPolarHBondContact O-CG1 3.23Å; A280-I283 PolarHBondContact O-N 3.42Å; A280-I283 VanDerWaalsContact O-N 3.16Å; A280-R284 PolarHBondContact O-N 3.26Å; A280-E483 VanDerWaalsContact CB-OE1 3.24Å; A280-E483 WeakPolarHBondContact CB-OE1 3.25Å |
| 281 | R | 86.9 | Confident | 85.7 | Confident | 14 Ų | 14 | 35.4 Ų | 35.4 | 5% | 0.053 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -66.4 | -18.5 | 178.7 | -176.2 | 169.9 | -62.5 | -87.1 | -8 | 114 | K243 E278 K279 I283 R284 Q285 E289 R290 S291 F292 | K243-R281 PolarHBondContact O-NH1 3.35Å; E278-R281 HydrophobicContact CG-CB 4.48Å; E278-R281 WeakPolarHBondContact O-CB 3.44Å; E278-R281 PolarHBondContact O-N 2.9Å; E278-R281 IonicContact OE1-NH2 3.15Å; E278-R281 IonicContact OE2-CZ 3.85Å; E278-R281 IonicContact OE2-NE 3.71Å; E278-R281 PolarHBondContact OE2-NE 3.36Å; E278-R281 IonicContact OE2-NH2 3.67Å; E278-R281 PolarHBondContact OE2-NH2 3.33Å; E278-R281 VanDerWaalsContact OE2-NH2 3.14Å; K279-R281 PolarHBondContact O-N 2.92Å; R281-I283 VanDerWaalsContact C-N 3.32Å; R281-R284 WeakPolarHBondContact CA-O 3.39Å; R281-Q285 PolarHBondContact O-NE2 2.88Å; R281-E289 IonicContact CZ-OE2 2.69Å; R281-E289 IonicContact NH1-OE2 3.7Å; R281-E289 PolarHBondContact NH1-OE2 2.97Å; R281-E289 IonicContact NH2-OE2 2.73Å; R281-E289 PolarHBondContact NH2-OE2 2.95Å; R281-R290 WeakPolarHBondContact CD-O 3.46Å; R281-R290 PolarHBondContact NH1-O 3.37Å; R281-S291 PolarHBondContact O-OG 3.23Å; R281-F292 HydrophobicContact CB-CE2 4Å; R281-F292 HydrophobicContact CB-CZ 4.4Å; R281-F292 HydrophobicContact CG-CE2 4.35Å |
| 282 | V | 89.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -62.3 | -40.6 | 172.8 | 179.6 | 0 | 0 | 0 | 0 | 111 | K279 A280 F292 F295 V364 Y440 | K279-V282 VanDerWaalsContact O-CB 3.3Å; K279-V282 WeakPolarHBondContact O-CB 3.24Å; K279-V282 VanDerWaalsContact O-CG2 3.3Å; K279-V282 WeakPolarHBondContact O-CG2 3.25Å; K279-V282 PolarHBondContact O-N 2.8Å; K279-V282 VanDerWaalsContact O-N 3.12Å; A280-V282 PolarHBondContact O-N 2.7Å; V282-F292 HydrophobicContact CG2-CD2 4.09Å; V282-F292 HydrophobicContact CG2-CE2 3.77Å; V282-F295 HydrophobicContact CG1-CZ 4.18Å; V282-V364 HydrophobicContact CG1-CG1 3.52Å; V282-Y440 HydrophobicContact CG1-CG 4.44Å; V282-Y440 HydrophobicContact CG2-CD1 3.54Å; V282-Y440 HydrophobicContact CG2-CD2 4.27Å; V282-Y440 HydrophobicContact CG2-CE1 4.18Å; V282-Y440 HydrophobicContact CG2-CG 3.6Å |
| 283 | I | 88.4 | Confident | 85.9 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 8% | 0.077 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -30.2 | -169.5 | 57.2 | 167.3 | 0 | 0 | 0 | 113.7 | A280 R281 F320 E433 K437 | A280-I283 WeakPolarHBondContact O-CG1 3.23Å; A280-I283 PolarHBondContact O-N 3.42Å; A280-I283 VanDerWaalsContact O-N 3.16Å; R281-I283 VanDerWaalsContact C-N 3.32Å; I283-F320 HydrophobicContact CB-CD1 3.94Å; I283-F320 HydrophobicContact CB-CE1 3.85Å; I283-F320 HydrophobicContact CB-CG 4.49Å; I283-F320 HydrophobicContact CB-CZ 4.33Å; I283-F320 HydrophobicContact CG2-CD1 4.14Å; I283-F320 HydrophobicContact CG2-CD2 4.4Å; I283-F320 HydrophobicContact CG2-CE1 3.75Å; I283-F320 HydrophobicContact CG2-CE2 4.05Å; I283-F320 HydrophobicContact CG2-CG 4.46Å; I283-F320 HydrophobicContact CG2-CZ 3.69Å; I283-F320 WeakPolarHBondContact O-CD1 2.94Å; I283-E433 HydrophobicContact CB-CG 4.38Å; I283-E433 HydrophobicContact CD1-CB 3.85Å; I283-E433 HydrophobicContact CD1-CG 3.93Å; I283-E433 HydrophobicContact CG2-CB 4.36Å; I283-E433 HydrophobicContact CG2-CG 4.32Å; I283-K437 HydrophobicContact CD1-CD 4Å; I283-K437 HydrophobicContact CD1-CG 4.28Å; I283-K437 HydrophobicContact CG1-CD 4.47Å; I283-K437 HydrophobicContact CG1-CG 4.39Å; I283-K437 HydrophobicContact CG2-CG 4.06Å |
| 284 | R | 83.3 | Confident | 86.2 | Confident | 129 Ų | 129 | 30.7 Ų | 30.7 | 49% | 0.487 | 16% | 0.163 | S | C | . | . | trans | -147.9 | 141.5 | -175.4 | -58.7 | -178.4 | -166.8 | 173.8 | 5.9 | 110.1 | A280 R281 E433 | A280-R284 PolarHBondContact O-N 3.26Å; R281-R284 WeakPolarHBondContact CA-O 3.39Å; R284-E433 IonicContact CZ-OE1 2.59Å; R284-E433 VanDerWaalsContact CZ-OE1 3.24Å; R284-E433 IonicContact CZ-OE2 2.7Å; R284-E433 IonicContact NE-OE1 3.21Å; R284-E433 PolarHBondContact NE-OE1 3.11Å; R284-E433 IonicContact NE-OE2 2.7Å; R284-E433 IonicContact NH2-OE1 2.77Å; R284-E433 PolarHBondContact NH2-OE1 2.82Å; R284-E433 IonicContact NH2-OE2 3.16Å; R284-E433 PolarHBondContact NH2-OE2 2.89Å | ||
| 285 | Q | 85.7 | Confident | 86.5 | Confident | 23 Ų | 23 | 29.3 Ų | 29.3 | 11% | 0.107 | 16% | 0.155 | C | C | . | . | trans | -119.4 | 154.6 | 175.7 | -60.3 | 81.6 | 54.3 | 0 | 0 | 110.6 | R281 F320 S322 | R281-Q285 PolarHBondContact O-NE2 2.88Å; Q285-F320 PolarHBondContact NE2-O 2.85Å; Q285-F320 PolarHBondContact OE1-O 2.85Å; Q285-S322 PolarHBondContact OE1-OG 2.83Å | ||
| 286 | A | 82.3 | Confident | 87.1 | Confident | 51 Ų | 51 | 28.2 Ų | 28.2 | 42% | 0.421 | 15% | 0.15 | S | C | . | . | trans | -72.9 | 164.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | E289 N323 | A286-E289 HydrophobicContact CB-CG 4.03Å; A286-E289 WeakPolarHBondContact O-CB 3.5Å; A286-E289 PolarHBondContact O-N 3.18Å; A286-N323 PolarHBondContact O-ND2 2.74Å | ||
| 287 | V | 83.9 | Confident | 88 | Confident | 109 Ų | 109 | 26.3 Ų | 26.3 | 66% | 0.661 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | 140.9 | 176.3 | -175.2 | 0 | 0 | 0 | 0 | 110.1 | E289 | V287-E289 PolarHBondContact O-N 2.79Å; V287-E289 VanDerWaalsContact O-N 3.15Å |
| 288 | D | 84.7 | Confident | 88.4 | Confident | 107 Ų | 107 | 25.6 Ų | 25.6 | 57% | 0.572 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 9 | -176.8 | -63.2 | -36.2 | 0 | 0 | 0 | 117.3 | K243 M326 | K243-D288 PolarHBondContact NZ-O 3.16Å; D288-M326 VanDerWaalsContact C-CE 3.48Å; D288-M326 VanDerWaalsContact O-SD 3.4Å |
| 289 | E | 87.9 | Confident | 88.8 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | trans | -100.2 | 169.2 | 174.2 | -57.2 | -153.1 | 144.1 | 0 | 0 | 113.7 | K243 T244 I245 R281 A286 V287 N323 M326 | K243-E289 WeakPolarHBondContact O-CB 3.28Å; T244-E289 WeakPolarHBondContact CA-OE1 3.44Å; T244-E289 WeakPolarHBondContact CB-OE1 3.45Å; I245-E289 HydrophobicContact CG1-CG 3.88Å; I245-E289 PolarHBondContact N-OE1 2.78Å; R281-E289 IonicContact CZ-OE2 2.69Å; R281-E289 IonicContact NH1-OE2 3.7Å; R281-E289 PolarHBondContact NH1-OE2 2.97Å; R281-E289 IonicContact NH2-OE2 2.73Å; R281-E289 PolarHBondContact NH2-OE2 2.95Å; A286-E289 HydrophobicContact CB-CG 4.03Å; A286-E289 WeakPolarHBondContact O-CB 3.5Å; A286-E289 PolarHBondContact O-N 3.18Å; V287-E289 PolarHBondContact O-N 2.79Å; V287-E289 VanDerWaalsContact O-N 3.15Å; E289-N323 PolarHBondContact N-ND2 2.75Å; E289-N323 PolarHBondContact O-ND2 3.45Å; E289-M326 WeakPolarHBondContact O-CE 2.95Å | ||
| 290 | R | 89.6 | Confident | 89.1 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | trans | -115.9 | 165.3 | 170.9 | -75.9 | -174 | 169.7 | -175 | 6.3 | 112 | K243 R281 Y296 M326 L328 E333 | K243-R290 HydrophobicContact CB-CB 3.75Å; K243-R290 HydrophobicContact CB-CG 3.91Å; K243-R290 HydrophobicContact CD-CG 4.27Å; K243-R290 PolarHBondContact O-N 2.84Å; R281-R290 WeakPolarHBondContact CD-O 3.46Å; R281-R290 PolarHBondContact NH1-O 3.37Å; R290-Y296 HydrophobicContact CB-CE2 3.69Å; R290-Y296 HydrophobicContact CG-CE1 4.19Å; R290-Y296 HydrophobicContact CG-CE2 3.97Å; R290-M326 HydrophobicContact CG-CB 4.41Å; R290-M326 HydrophobicContact CG-SD 4.23Å; R290-M326 PolarHBondContact NE-O 2.77Å; R290-M326 PolarHBondContact NH2-O 2.81Å; R290-L328 VanDerWaalsContact NH1-CD1 3.35Å; R290-E333 IonicContact CZ-OE1 2.66Å; R290-E333 IonicContact NH1-OE1 3.31Å; R290-E333 PolarHBondContact NH1-OE1 3.44Å; R290-E333 IonicContact NH1-OE2 2.75Å; R290-E333 IonicContact NH2-OE1 3.23Å; R290-E333 PolarHBondContact NH2-OE1 2.91Å | ||
| 291 | S | 92.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -72.1 | -172.8 | 157.3 | -159.5 | 0 | 0 | 0 | 0 | 111.1 | A242 R281 Y296 | A242-S291 VanDerWaalsContact CB-O 3.3Å; A242-S291 WeakPolarHBondContact CB-O 3.38Å; R281-S291 PolarHBondContact O-OG 3.23Å; S291-Y296 PolarHBondContact N-OH 2.68Å |
| 292 | F | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -59.7 | 143.7 | 176.4 | -64.5 | -84.1 | 0 | 0 | 0 | 112.3 | F239 G240 N241 R252 L277 R281 V282 I294 F295 Y296 Y440 | F239-F292 WeakPolarHBondContact O-CD1 3.47Å; G240-F292 WeakPolarHBondContact O-CE1 3.21Å; N241-F292 WeakPolarHBondContact O-CA 3.36Å; R252-F292 HydrophobicContact CB-CE1 3.96Å; R252-F292 HydrophobicContact CB-CZ 4.33Å; R252-F292 HydrophobicContact CG-CE1 4.27Å; L277-F292 HydrophobicContact CD1-CE1 3.68Å; L277-F292 HydrophobicContact CD1-CZ 3.76Å; L277-F292 HydrophobicContact CG-CZ 4.13Å; R281-F292 HydrophobicContact CB-CE2 4Å; R281-F292 HydrophobicContact CB-CZ 4.4Å; R281-F292 HydrophobicContact CG-CE2 4.35Å; V282-F292 HydrophobicContact CG2-CD2 4.09Å; V282-F292 HydrophobicContact CG2-CE2 3.77Å; F292-I294 VanDerWaalsContact C-N 3.28Å; F292-I294 HydrophobicContact CB-CG2 4.46Å; F292-I294 PolarHBondContact O-N 2.63Å; F292-F295 HydrophobicContact CB-CD2 4.1Å; F292-F295 HydrophobicContact CB-CE2 4.19Å; F292-F295 HydrophobicContact CD2-CE2 4.33Å; F292-F295 WeakPolarHBondContact O-CD2 3.04Å; F292-F295 PolarHBondContact O-N 2.9Å; F292-Y296 WeakPolarHBondContact O-CD2 3.03Å; F292-Y440 WeakPolarHBondContact CB-OH 3.18Å; F292-Y440 HydrophobicContact CD1-CE1 4.43Å; F292-Y440 HydrophobicContact CD2-CD1 4.45Å; F292-Y440 AromaticContact CD2-CE1 3.66Å; F292-Y440 HydrophobicContact CD2-CE1 3.66Å; F292-Y440 AromaticContact CD2-CZ 3.81Å; F292-Y440 HydrophobicContact CE2-CD1 4.38Å; F292-Y440 AromaticContact CE2-CE1 3.84Å; F292-Y440 HydrophobicContact CE2-CE1 3.84Å; F292-Y440 AromaticContact CG-CE1 3.98Å; F292-Y440 HydrophobicContact CG-CE1 3.98Å; F292-Y440 AromaticContact CG-CZ 3.88Å; F292-Y440 WeakPolarHBondContact CG-OH 3.49Å; F292-Y440 HydrophobicContact CZ-CE1 4.29Å |
| 293 | H | 93.4 | Very high | 89.4 | Confident | 10 Ų | 10 | 29.7 Ų | 29.7 | 5% | 0.046 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.6 | -35.2 | -170.1 | -64.9 | -77.3 | 0 | 0 | 0 | 113.6 | A238 N241 A242 D248 N249 F295 Y296 Q297 | A238-H293 PolarHBondContact O-N 2.93Å; N241-H293 PolarHBondContact O-CD2 3.47Å; N241-H293 PolarHBondContact O-N 2.84Å; N241-H293 VanDerWaalsContact O-N 3.15Å; A242-H293 WeakPolarHBondContact CA-NE2 3.01Å; A242-H293 PolarHBondContact N-NE2 2.81Å; D248-H293 PolarHBondContact O-CE1 2.53Å; N249-H293 PolarHBondContact OD1-NE2 3.15Å; H293-F295 PolarHBondContact O-N 3.1Å; H293-F295 VanDerWaalsContact O-N 3.13Å; H293-Y296 PolarHBondContact O-N 2.67Å; H293-Q297 WeakPolarHBondContact O-CG 3.29Å; H293-Q297 PolarHBondContact O-N 3.09Å |
| 294 | I | 94.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.5 | -33.6 | -178.4 | -172.8 | 62.3 | 0 | 0 | 0 | 113.7 | A238 F239 F292 Y296 L298 F358 I361 Y440 | A238-I294 HydrophobicContact CB-CB 4.41Å; A238-I294 WeakPolarHBondContact O-CB 3.3Å; A238-I294 PolarHBondContact O-N 2.79Å; F239-I294 HydrophobicContact CD1-CG2 4.2Å; F239-I294 HydrophobicContact CD2-CB 4.31Å; F239-I294 HydrophobicContact CD2-CG1 4.28Å; F239-I294 HydrophobicContact CE1-CG1 4.12Å; F239-I294 HydrophobicContact CE1-CG2 4.41Å; F239-I294 HydrophobicContact CE2-CB 4.27Å; F239-I294 HydrophobicContact CE2-CD1 3.77Å; F239-I294 HydrophobicContact CE2-CG1 3.75Å; F239-I294 HydrophobicContact CG-CG2 4.29Å; F239-I294 HydrophobicContact CZ-CB 4.46Å; F239-I294 HydrophobicContact CZ-CD1 3.99Å; F239-I294 HydrophobicContact CZ-CG1 3.66Å; F292-I294 VanDerWaalsContact C-N 3.28Å; F292-I294 HydrophobicContact CB-CG2 4.46Å; F292-I294 PolarHBondContact O-N 2.63Å; I294-Y296 VanDerWaalsContact C-N 3.35Å; I294-Y296 PolarHBondContact O-N 3.04Å; I294-L298 WeakPolarHBondContact O-CB 3.44Å; I294-L298 PolarHBondContact O-N 2.64Å; I294-F358 HydrophobicContact CD1-CE1 4.39Å; I294-I361 HydrophobicContact CG1-CD1 3.69Å; I294-Y440 HydrophobicContact CG2-CE2 4.34Å; I294-Y440 WeakPolarHBondContact CG2-OH 3.12Å |
| 295 | F | 94.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 175.8 | -67.1 | -69.5 | 0 | 0 | 0 | 111.7 | V282 F292 H293 L299 L321 I361 V364 L365 Y440 | V282-F295 HydrophobicContact CG1-CZ 4.18Å; F292-F295 HydrophobicContact CB-CD2 4.1Å; F292-F295 HydrophobicContact CB-CE2 4.19Å; F292-F295 HydrophobicContact CD2-CE2 4.33Å; F292-F295 WeakPolarHBondContact O-CD2 3.04Å; F292-F295 PolarHBondContact O-N 2.9Å; H293-F295 PolarHBondContact O-N 3.1Å; H293-F295 VanDerWaalsContact O-N 3.13Å; F295-L299 WeakPolarHBondContact O-CB 3.12Å; F295-L299 WeakPolarHBondContact O-CG 3.14Å; F295-L299 PolarHBondContact O-N 2.64Å; F295-L321 HydrophobicContact CB-CD2 4.32Å; F295-I361 HydrophobicContact CD1-CG2 3.66Å; F295-I361 HydrophobicContact CE1-CG2 3.75Å; F295-V364 HydrophobicContact CE1-CG1 4.23Å; F295-V364 HydrophobicContact CZ-CG1 4.13Å; F295-L365 HydrophobicContact CD1-CD1 4.02Å; F295-L365 HydrophobicContact CD1-CD2 3.7Å; F295-L365 HydrophobicContact CD1-CG 3.79Å; F295-L365 HydrophobicContact CE1-CD2 4.09Å; F295-L365 HydrophobicContact CE1-CG 4.01Å; F295-L365 HydrophobicContact CG-CD2 4.45Å; F295-Y440 HydrophobicContact CE1-CE2 4.41Å; F295-Y440 HydrophobicContact CE2-CD2 4.15Å; F295-Y440 AromaticContact CE2-CE2 3.62Å; F295-Y440 HydrophobicContact CE2-CE2 3.62Å; F295-Y440 AromaticContact CZ-CD2 3.65Å; F295-Y440 HydrophobicContact CZ-CD2 3.65Å; F295-Y440 AromaticContact CZ-CE2 3.48Å; F295-Y440 HydrophobicContact CZ-CE2 3.48Å; F295-Y440 VanDerWaalsContact CZ-CE2 3.48Å |
| 296 | Y | 92.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 0% | 0.004 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -76.8 | -41.7 | -179.3 | -57.3 | -88.2 | 0 | 0 | 0 | 111.4 | R290 S291 F292 H293 I294 L298 L299 A300 M325 | R290-Y296 HydrophobicContact CB-CE2 3.69Å; R290-Y296 HydrophobicContact CG-CE1 4.19Å; R290-Y296 HydrophobicContact CG-CE2 3.97Å; S291-Y296 PolarHBondContact N-OH 2.68Å; F292-Y296 WeakPolarHBondContact O-CD2 3.03Å; H293-Y296 PolarHBondContact O-N 2.67Å; I294-Y296 VanDerWaalsContact C-N 3.35Å; I294-Y296 PolarHBondContact O-N 3.04Å; Y296-L298 PolarHBondContact O-N 2.64Å; Y296-L299 PolarHBondContact O-N 2.75Å; Y296-A300 VanDerWaalsContact O-CB 3.24Å; Y296-A300 WeakPolarHBondContact O-CB 3.46Å; Y296-A300 PolarHBondContact O-N 2.62Å; Y296-M325 HydrophobicContact CD1-SD 3.87Å |
| 297 | Q | 92.2 | Very high | 90.2 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.8 | -47.4 | 175.1 | -69 | 172.2 | -2.7 | 0 | 0 | 111.6 | H293 S301 E333 F336 F337 | H293-Q297 WeakPolarHBondContact O-CG 3.29Å; H293-Q297 PolarHBondContact O-N 3.09Å; Q297-S301 WeakPolarHBondContact O-CB 2.97Å; Q297-S301 PolarHBondContact O-N 2.78Å; Q297-S301 VanDerWaalsContact O-N 3.12Å; Q297-S301 PolarHBondContact O-OG 3.32Å; Q297-E333 WeakPolarHBondContact CG-OE2 3.49Å; Q297-F336 HydrophobicContact CG-CB 4.42Å; Q297-F337 HydrophobicContact CB-CB 4.11Å; Q297-F337 HydrophobicContact CB-CD2 3.98Å |
| 298 | L | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -49.2 | 177 | 177.4 | 61.1 | 0 | 0 | 0 | 111.4 | I294 Y296 A300 S301 A302 M306 L310 L312 F337 F358 I361 | I294-L298 WeakPolarHBondContact O-CB 3.44Å; I294-L298 PolarHBondContact O-N 2.64Å; Y296-L298 PolarHBondContact O-N 2.64Å; L298-A300 VanDerWaalsContact C-N 3.35Å; L298-A300 PolarHBondContact O-N 2.72Å; L298-S301 PolarHBondContact O-N 2.69Å; L298-A302 VanDerWaalsContact O-CB 3.24Å; L298-A302 WeakPolarHBondContact O-CB 3.29Å; L298-A302 PolarHBondContact O-N 2.69Å; L298-M306 HydrophobicContact CD1-CE 3.6Å; L298-M306 HydrophobicContact CD1-SD 4.17Å; L298-L310 HydrophobicContact CD1-CD1 4.22Å; L298-L312 HydrophobicContact CD1-CD1 4.29Å; L298-L312 HydrophobicContact CD2-CD1 4.38Å; L298-L312 HydrophobicContact CG-CD1 4.08Å; L298-F337 HydrophobicContact CB-CE2 4.46Å; L298-F337 HydrophobicContact CD1-CE2 4.26Å; L298-F337 HydrophobicContact CD1-CZ 4.33Å; L298-F358 HydrophobicContact CD1-CB 4.44Å; L298-F358 HydrophobicContact CD1-CD1 4.19Å; L298-F358 HydrophobicContact CD1-CG 4.32Å; L298-I361 HydrophobicContact CD2-CB 4.21Å; L298-I361 HydrophobicContact CD2-CG2 3.68Å |
| 299 | L | 91.9 | Very high | 90.8 | Very high | 24 Ų | 24 | 34.4 Ų | 34.4 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.9 | -32.8 | -178 | -68.6 | 176.2 | 0 | 0 | 0 | 113.3 | F295 Y296 L312 N313 A315 Y318 L321 L365 | F295-L299 WeakPolarHBondContact O-CB 3.12Å; F295-L299 WeakPolarHBondContact O-CG 3.14Å; F295-L299 PolarHBondContact O-N 2.64Å; Y296-L299 PolarHBondContact O-N 2.75Å; L299-L312 HydrophobicContact CD2-CB 4.19Å; L299-L312 HydrophobicContact CD2-CD1 4.45Å; L299-L312 HydrophobicContact CD2-CD2 3.94Å; L299-L312 HydrophobicContact CD2-CG 4.41Å; L299-N313 WeakPolarHBondContact CD2-O 3.5Å; L299-A315 HydrophobicContact CD1-CB 3.89Å; L299-Y318 HydrophobicContact CD1-CD2 4.21Å; L299-Y318 HydrophobicContact CD1-CE2 3.86Å; L299-Y318 HydrophobicContact CD2-CE2 3.87Å; L299-L321 HydrophobicContact CD1-CD1 3.78Å; L299-L365 HydrophobicContact CD1-CD1 4.38Å; L299-L365 HydrophobicContact CD2-CD1 4.44Å |
| 300 | A | 88.5 | Confident | 91 | Very high | 31 Ų | 31 | 34.2 Ų | 34.2 | 26% | 0.256 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -78.8 | -20.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y296 L298 M325 E333 Q334 | Y296-A300 VanDerWaalsContact O-CB 3.24Å; Y296-A300 WeakPolarHBondContact O-CB 3.46Å; Y296-A300 PolarHBondContact O-N 2.62Å; L298-A300 VanDerWaalsContact C-N 3.35Å; L298-A300 PolarHBondContact O-N 2.72Å; A300-M325 HydrophobicContact CB-CE 4.07Å; A300-E333 HydrophobicContact CB-CB 3.66Å; A300-E333 HydrophobicContact CB-CG 4.28Å; A300-Q334 PolarHBondContact O-NE2 3.36Å |
| 301 | S | 90.6 | Very high | 91.2 | Very high | 24 Ų | 24 | 37 Ų | 37 | 17% | 0.168 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -116.2 | -15 | -169.8 | -46.7 | 0 | 0 | 0 | 0 | 114.4 | Q297 L298 T303 Q334 F337 | Q297-S301 WeakPolarHBondContact O-CB 2.97Å; Q297-S301 PolarHBondContact O-N 2.78Å; Q297-S301 VanDerWaalsContact O-N 3.12Å; Q297-S301 PolarHBondContact O-OG 3.32Å; L298-S301 PolarHBondContact O-N 2.69Å; S301-T303 PolarHBondContact O-N 2.7Å; S301-T303 VanDerWaalsContact O-N 3.15Å; S301-Q334 WeakPolarHBondContact OG-CA 3.25Å; S301-F337 VanDerWaalsContact CB-CD1 3.4Å; S301-F337 WeakPolarHBondContact OG-CB 3.12Å |
| 302 | A | 86.4 | Confident | 91.2 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 6% | 0.058 | 21% | 0.213 | C | C | . | . | trans | -59.6 | 118.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L298 M306 Q307 L312 | L298-A302 VanDerWaalsContact O-CB 3.24Å; L298-A302 WeakPolarHBondContact O-CB 3.29Å; L298-A302 PolarHBondContact O-N 2.69Å; A302-M306 HydrophobicContact CB-CB 4.24Å; A302-M306 HydrophobicContact CB-CG 4.16Å; A302-M306 HydrophobicContact CB-SD 4.03Å; A302-Q307 HydrophobicContact CB-CG 3.72Å; A302-Q307 PolarHBondContact O-NE2 2.81Å; A302-L312 HydrophobicContact CB-CD1 3.82Å | ||
| 303 | T | 88.6 | Confident | 90.9 | Very high | 80 Ų | 80 | 41.2 Ų | 41.2 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | trans | -63.1 | 159.4 | 173.2 | 67.4 | 0 | 0 | 0 | 0 | 110.5 | S301 A305 M306 Q307 | S301-T303 PolarHBondContact O-N 2.7Å; S301-T303 VanDerWaalsContact O-N 3.15Å; T303-A305 PolarHBondContact O-N 2.72Å; T303-A305 VanDerWaalsContact O-N 3.1Å; T303-M306 CarbonylContact O-C 3.56Å; T303-M306 WeakPolarHBondContact O-CA 3.02Å; T303-M306 WeakPolarHBondContact O-CB 3Å; T303-M306 PolarHBondContact O-N 3.29Å; T303-M306 WeakPolarHBondContact OG1-CB 3.4Å; T303-M306 PolarHBondContact OG1-N 2.73Å; T303-Q307 WeakPolarHBondContact O-CG 3.36Å; T303-Q307 PolarHBondContact O-N 3.33Å | ||
| 304 | P | 89 | Confident | 90.6 | Very high | 93 Ų | 93 | 46.6 Ų | 46.6 | 60% | 0.604 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -55.1 | -32.3 | 178.8 | -28.6 | 36.5 | 0 | 0 | 0 | 114.3 | Q308 | P304-Q308 WeakPolarHBondContact O-CG 3.08Å; P304-Q308 PolarHBondContact O-N 2.77Å; P304-Q308 VanDerWaalsContact O-N 3.14Å |
| 305 | A | 89.1 | Confident | 90.2 | Very high | 66 Ų | 66 | 46.7 Ų | 46.7 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69.1 | -44.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | T303 Q308 Q309 | T303-A305 PolarHBondContact O-N 2.72Å; T303-A305 VanDerWaalsContact O-N 3.1Å; A305-Q308 PolarHBondContact O-N 3.33Å; A305-Q309 WeakPolarHBondContact O-CB 3.42Å; A305-Q309 PolarHBondContact O-N 2.66Å |
| 306 | M | 89.7 | Confident | 89.9 | Confident | 25 Ų | 25 | 50.9 Ų | 50.9 | 12% | 0.123 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.7 | -37.4 | 176.3 | -169.1 | 179.7 | -161.2 | 0 | 0 | 112 | L298 A302 T303 Q309 L310 F337 F358 | L298-M306 HydrophobicContact CD1-CE 3.6Å; L298-M306 HydrophobicContact CD1-SD 4.17Å; A302-M306 HydrophobicContact CB-CB 4.24Å; A302-M306 HydrophobicContact CB-CG 4.16Å; A302-M306 HydrophobicContact CB-SD 4.03Å; T303-M306 CarbonylContact O-C 3.56Å; T303-M306 WeakPolarHBondContact O-CA 3.02Å; T303-M306 WeakPolarHBondContact O-CB 3Å; T303-M306 PolarHBondContact O-N 3.29Å; T303-M306 WeakPolarHBondContact OG1-CB 3.4Å; T303-M306 PolarHBondContact OG1-N 2.73Å; M306-Q309 PolarHBondContact O-N 3.24Å; M306-L310 HydrophobicContact CE-CD1 3.77Å; M306-L310 HydrophobicContact CG-CD1 3.72Å; M306-L310 HydrophobicContact CG-CG 4.24Å; M306-L310 VanDerWaalsContact O-CB 3.27Å; M306-L310 WeakPolarHBondContact O-CB 3.22Å; M306-L310 WeakPolarHBondContact O-CG 3.4Å; M306-L310 PolarHBondContact O-N 2.83Å; M306-L310 HydrophobicContact SD-CD1 4.5Å; M306-F337 HydrophobicContact CE-CZ 4.18Å; M306-F358 HydrophobicContact CE-CB 4.12Å; M306-F358 HydrophobicContact CE-CD2 3.33Å; M306-F358 HydrophobicContact CE-CE2 3.83Å; M306-F358 HydrophobicContact CE-CG 3.78Å |
| 307 | Q | 89 | Confident | 89.7 | Confident | 84 Ų | 84 | 53 Ų | 53 | 39% | 0.393 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 173.6 | -69.5 | 174.9 | 1.6 | 0 | 0 | 111.6 | A302 T303 L311 L312 | A302-Q307 HydrophobicContact CB-CG 3.72Å; A302-Q307 PolarHBondContact O-NE2 2.81Å; T303-Q307 WeakPolarHBondContact O-CG 3.36Å; T303-Q307 PolarHBondContact O-N 3.33Å; Q307-L311 CarbonylContact O-C 3.51Å; Q307-L311 VanDerWaalsContact O-CA 3.31Å; Q307-L311 WeakPolarHBondContact O-CA 3.04Å; Q307-L311 PolarHBondContact O-N 3.18Å; Q307-L312 PolarHBondContact O-N 2.68Å |
| 308 | Q | 90.7 | Very high | 89.6 | Confident | 154 Ų | 154 | 53 Ų | 53 | 72% | 0.72 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.4 | -47 | 175.2 | -72.6 | 174.8 | 2 | 0 | 0 | 112.1 | P304 A305 L310 L311 | P304-Q308 WeakPolarHBondContact O-CG 3.08Å; P304-Q308 PolarHBondContact O-N 2.77Å; P304-Q308 VanDerWaalsContact O-N 3.14Å; A305-Q308 PolarHBondContact O-N 3.33Å; Q308-L310 PolarHBondContact O-N 2.97Å; Q308-L311 PolarHBondContact O-N 2.64Å |
| 309 | Q | 90.7 | Very high | 89.6 | Confident | 111 Ų | 111 | 59.4 Ų | 59.4 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.1 | -37.2 | -178.6 | -176.3 | -179.8 | -1.6 | 0 | 0 | 113.1 | A305 M306 | A305-Q309 WeakPolarHBondContact O-CB 3.42Å; A305-Q309 PolarHBondContact O-N 2.66Å; M306-Q309 PolarHBondContact O-N 3.24Å |
| 310 | L | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 2.5 | 179.8 | -58 | -177.8 | 0 | 0 | 0 | 113.2 | L298 M306 Q308 L312 F358 R359 S362 | L298-L310 HydrophobicContact CD1-CD1 4.22Å; M306-L310 HydrophobicContact CE-CD1 3.77Å; M306-L310 HydrophobicContact CG-CD1 3.72Å; M306-L310 HydrophobicContact CG-CG 4.24Å; M306-L310 VanDerWaalsContact O-CB 3.27Å; M306-L310 WeakPolarHBondContact O-CB 3.22Å; M306-L310 WeakPolarHBondContact O-CG 3.4Å; M306-L310 PolarHBondContact O-N 2.83Å; M306-L310 HydrophobicContact SD-CD1 4.5Å; Q308-L310 PolarHBondContact O-N 2.97Å; L310-L312 VanDerWaalsContact C-N 3.28Å; L310-L312 HydrophobicContact CB-CD1 3.9Å; L310-L312 HydrophobicContact CB-CD2 4.42Å; L310-L312 HydrophobicContact CB-CG 3.77Å; L310-L312 HydrophobicContact CD1-CD1 4.14Å; L310-L312 PolarHBondContact O-N 2.86Å; L310-F358 HydrophobicContact CD1-CB 3.58Å; L310-F358 HydrophobicContact CD2-CB 4.43Å; L310-R359 HydrophobicContact CD2-CB 4.4Å; L310-R359 HydrophobicContact CD2-CG 3.74Å; L310-S362 WeakPolarHBondContact O-CB 3.49Å; L310-S362 PolarHBondContact O-OG 2.7Å |
| 311 | L | 93.5 | Very high | 89.8 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 30% | 0.304 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 28.9 | 176.5 | -54.3 | 166.4 | 0 | 0 | 0 | 114.7 | Q307 Q308 H366 K391 L395 | Q307-L311 CarbonylContact O-C 3.51Å; Q307-L311 VanDerWaalsContact O-CA 3.31Å; Q307-L311 WeakPolarHBondContact O-CA 3.04Å; Q307-L311 PolarHBondContact O-N 3.18Å; Q308-L311 PolarHBondContact O-N 2.64Å; L311-H366 PolarHBondContact O-NE2 3.39Å; L311-K391 HydrophobicContact CD1-CB 4.02Å; L311-K391 HydrophobicContact CD1-CG 4.05Å; L311-L395 HydrophobicContact CD1-CD1 4.34Å; L311-L395 HydrophobicContact CD1-CD2 4.47Å; L311-L395 HydrophobicContact CD1-CG 4.22Å |
| 312 | L | 91.5 | Very high | 89.4 | Confident | 16 Ų | 16 | 59.5 Ų | 59.5 | 8% | 0.084 | 33% | 0.328 | C | S | . | . | trans | -77.8 | 134.5 | -169.4 | -62.9 | 169.8 | 0 | 0 | 0 | 113.9 | L298 L299 A302 Q307 L310 Y318 S362 L365 | L298-L312 HydrophobicContact CD1-CD1 4.29Å; L298-L312 HydrophobicContact CD2-CD1 4.38Å; L298-L312 HydrophobicContact CG-CD1 4.08Å; L299-L312 HydrophobicContact CD2-CB 4.19Å; L299-L312 HydrophobicContact CD2-CD1 4.45Å; L299-L312 HydrophobicContact CD2-CD2 3.94Å; L299-L312 HydrophobicContact CD2-CG 4.41Å; A302-L312 HydrophobicContact CB-CD1 3.82Å; Q307-L312 PolarHBondContact O-N 2.68Å; L310-L312 VanDerWaalsContact C-N 3.28Å; L310-L312 HydrophobicContact CB-CD1 3.9Å; L310-L312 HydrophobicContact CB-CD2 4.42Å; L310-L312 HydrophobicContact CB-CG 3.77Å; L310-L312 HydrophobicContact CD1-CD1 4.14Å; L310-L312 PolarHBondContact O-N 2.86Å; L312-Y318 WeakPolarHBondContact CA-OH 3.28Å; L312-S362 WeakPolarHBondContact CD2-OG 3.36Å; L312-L365 HydrophobicContact CD2-CD1 4.45Å | ||
| 313 | N | 88.6 | Confident | 89.4 | Confident | 73 Ų | 73 | 61.6 Ų | 61.6 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | trans | -104.7 | 173 | 169.7 | -57.6 | -62.8 | 0 | 0 | 0 | 112.2 | L299 A317 Y318 H366 | L299-N313 WeakPolarHBondContact CD2-O 3.5Å; N313-A317 HydrophobicContact CB-CB 3.82Å; N313-Y318 HydrophobicContact CB-CE2 4.47Å; N313-Y318 PolarHBondContact N-OH 3.05Å; N313-Y318 WeakPolarHBondContact O-CE2 2.87Å; N313-Y318 PolarHBondContact O-OH 2.81Å; N313-H366 PolarHBondContact ND2-NE2 2.65Å | ||
| 314 | H | 87.2 | Confident | 89.3 | Confident | 124 Ų | 124 | 58.4 Ų | 58.4 | 57% | 0.574 | 32% | 0.321 | S | S | * | . | trans | -59.4 | 148.8 | 169.7 | -175.6 | -107.5 | 0 | 0 | 0 | 112.3 | S316 A317 | H314-S316 VanDerWaalsContact C-N 3.26Å; H314-S316 PolarHBondContact ND1-OG 2.93Å; H314-S316 PolarHBondContact O-N 3.38Å; H314-S316 VanDerWaalsContact O-N 3.11Å; H314-A317 VanDerWaalsContact O-CB 3.26Å; H314-A317 WeakPolarHBondContact O-CB 3.25Å; H314-A317 PolarHBondContact O-N 2.86Å | ||
| 315 | A | 86.2 | Confident | 89 | Confident | 2 Ų | 2 | 57.1 Ų | 57.1 | 2% | 0.017 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -57.3 | -33.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114.6 | L299 A317 Y318 L321 M325 | L299-A315 HydrophobicContact CD1-CB 3.89Å; A315-A317 PolarHBondContact O-N 2.59Å; A315-A317 VanDerWaalsContact O-N 3.15Å; A315-Y318 PolarHBondContact O-N 3.36Å; A315-L321 HydrophobicContact CB-CD1 4.05Å; A315-M325 HydrophobicContact CB-CB 3.98Å; A315-M325 HydrophobicContact CB-SD 4.17Å |
| 316 | S | 86.3 | Confident | 88.7 | Confident | 89 Ų | 89 | 55.5 Ų | 55.5 | 62% | 0.622 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -68.4 | -5.1 | 176.2 | 66.1 | 0 | 0 | 0 | 0 | 114.6 | H314 | H314-S316 VanDerWaalsContact C-N 3.26Å; H314-S316 PolarHBondContact ND1-OG 2.93Å; H314-S316 PolarHBondContact O-N 3.38Å; H314-S316 VanDerWaalsContact O-N 3.11Å |
| 317 | A | 89 | Confident | 88.2 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 38% | 0.38 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -94.8 | 7.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N313 H314 A315 N369 | N313-A317 HydrophobicContact CB-CB 3.82Å; H314-A317 VanDerWaalsContact O-CB 3.26Å; H314-A317 WeakPolarHBondContact O-CB 3.25Å; H314-A317 PolarHBondContact O-N 2.86Å; A315-A317 PolarHBondContact O-N 2.59Å; A315-A317 VanDerWaalsContact O-N 3.15Å; A317-N369 PolarHBondContact O-ND2 2.95Å; A317-N369 PolarHBondContact O-OD1 2.98Å |
| 318 | Y | 91.8 | Very high | 87.8 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | trans | -119.1 | 121 | 178.7 | -56.1 | -73.3 | 0 | 0 | 0 | 112.3 | L299 L312 N313 A315 F320 L321 L365 N369 | L299-Y318 HydrophobicContact CD1-CD2 4.21Å; L299-Y318 HydrophobicContact CD1-CE2 3.86Å; L299-Y318 HydrophobicContact CD2-CE2 3.87Å; L312-Y318 WeakPolarHBondContact CA-OH 3.28Å; N313-Y318 HydrophobicContact CB-CE2 4.47Å; N313-Y318 PolarHBondContact N-OH 3.05Å; N313-Y318 WeakPolarHBondContact O-CE2 2.87Å; N313-Y318 PolarHBondContact O-OH 2.81Å; A315-Y318 PolarHBondContact O-N 3.36Å; Y318-F320 PolarHBondContact O-N 3.36Å; Y318-L321 HydrophobicContact CD2-CD1 4.1Å; Y318-L321 PolarHBondContact O-N 2.73Å; Y318-L365 HydrophobicContact CD1-CB 3.69Å; Y318-L365 WeakPolarHBondContact CD1-O 3.48Å; Y318-L365 HydrophobicContact CD2-CD2 4.24Å; Y318-L365 HydrophobicContact CE1-CB 3.66Å; Y318-L365 HydrophobicContact CE2-CD1 4.19Å; Y318-L365 HydrophobicContact CG-CB 4.15Å; Y318-L365 HydrophobicContact CG-CD2 4.13Å; Y318-N369 WeakPolarHBondContact CA-OD1 3.12Å | ||
| 319 | R | 91.3 | Very high | 87.2 | Confident | 135 Ų | 135 | 56.2 Ų | 56.2 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -31.3 | 179.8 | -173.6 | 179.6 | 175.7 | -176.5 | -3.2 | 113.5 | L321 G368 N369 E429 | R319-L321 VanDerWaalsContact C-N 3.29Å; R319-L321 PolarHBondContact O-N 2.72Å; R319-G368 VanDerWaalsContact CB-O 3.28Å; R319-G368 WeakPolarHBondContact CB-O 3.25Å; R319-G368 VanDerWaalsContact CD-O 3.27Å; R319-G368 WeakPolarHBondContact CD-O 3.25Å; R319-N369 PolarHBondContact N-OD1 3.1Å; R319-E429 IonicContact CZ-OE1 2.78Å; R319-E429 VanDerWaalsContact CZ-OE1 3.27Å; R319-E429 IonicContact NH1-OE1 3.7Å; R319-E429 PolarHBondContact NH1-OE1 2.94Å; R319-E429 IonicContact NH2-OE1 3.98Å; R319-E429 PolarHBondContact NH2-OE1 2.91Å |
| 320 | F | 92.7 | Very high | 86.4 | Confident | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -7.4 | 177.9 | -72.1 | -16.6 | 0 | 0 | 0 | 114.6 | I283 Q285 Y318 V364 L367 G368 E433 S436 | I283-F320 HydrophobicContact CB-CD1 3.94Å; I283-F320 HydrophobicContact CB-CE1 3.85Å; I283-F320 HydrophobicContact CB-CG 4.49Å; I283-F320 HydrophobicContact CB-CZ 4.33Å; I283-F320 HydrophobicContact CG2-CD1 4.14Å; I283-F320 HydrophobicContact CG2-CD2 4.4Å; I283-F320 HydrophobicContact CG2-CE1 3.75Å; I283-F320 HydrophobicContact CG2-CE2 4.05Å; I283-F320 HydrophobicContact CG2-CG 4.46Å; I283-F320 HydrophobicContact CG2-CZ 3.69Å; I283-F320 WeakPolarHBondContact O-CD1 2.94Å; Q285-F320 PolarHBondContact NE2-O 2.85Å; Q285-F320 PolarHBondContact OE1-O 2.85Å; Y318-F320 PolarHBondContact O-N 3.36Å; F320-V364 VanDerWaalsContact CD2-O 3.27Å; F320-V364 WeakPolarHBondContact CD2-O 3.25Å; F320-V364 WeakPolarHBondContact CE2-O 3.26Å; F320-L367 HydrophobicContact CE2-CB 4.34Å; F320-G368 VanDerWaalsContact CE2-N 3.26Å; F320-E433 HydrophobicContact CE1-CG 4.08Å; F320-E433 HydrophobicContact CZ-CG 4.36Å; F320-S436 WeakPolarHBondContact CE2-OG 3.26Å |
| 321 | L | 91.7 | Very high | 85.8 | Confident | 5 Ų | 5 | 57.5 Ų | 57.5 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | trans | -108.3 | 67.9 | 171.7 | -59.6 | -176.6 | 0 | 0 | 0 | 108.7 | F295 L299 A315 Y318 R319 N323 G324 L365 | F295-L321 HydrophobicContact CB-CD2 4.32Å; L299-L321 HydrophobicContact CD1-CD1 3.78Å; A315-L321 HydrophobicContact CB-CD1 4.05Å; Y318-L321 HydrophobicContact CD2-CD1 4.1Å; Y318-L321 PolarHBondContact O-N 2.73Å; R319-L321 VanDerWaalsContact C-N 3.29Å; R319-L321 PolarHBondContact O-N 2.72Å; L321-N323 PolarHBondContact O-N 2.95Å; L321-G324 PolarHBondContact O-N 2.69Å; L321-L365 HydrophobicContact CD1-CD2 3.89Å; L321-L365 HydrophobicContact CD2-CD2 4.23Å; L321-L365 HydrophobicContact CG-CD2 3.92Å | ||
| 322 | S | 83 | Confident | 85.4 | Confident | 67 Ų | 67 | 58 Ų | 58 | 47% | 0.469 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.3 | -165 | 63.7 | 0 | 0 | 0 | 0 | 114.3 | Q285 | Q285-S322 PolarHBondContact OE1-OG 2.83Š|
| 323 | N | 86 | Confident | 85.2 | Confident | 52 Ų | 52 | 58 Ų | 58 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 9 | -179.1 | -55 | -17.3 | 0 | 0 | 0 | 113.1 | A286 E289 L321 M326 | A286-N323 PolarHBondContact O-ND2 2.74Å; E289-N323 PolarHBondContact N-ND2 2.75Å; E289-N323 PolarHBondContact O-ND2 3.45Å; L321-N323 PolarHBondContact O-N 2.95Å; N323-M326 HydrophobicContact CB-CE 3.77Å |
| 324 | G | 85.7 | Confident | 85.2 | Confident | 13 Ų | 13 | 59 Ų | 59 | 13% | 0.134 | 34% | 0.337 | C | S | . | . | trans | 63.7 | -154.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L321 M326 | L321-G324 PolarHBondContact O-N 2.69Å; G324-M326 VanDerWaalsContact C-N 3.33Å; G324-M326 PolarHBondContact O-N 3.46Å | ||
| 325 | M | 83.4 | Confident | 85.3 | Confident | 66 Ų | 66 | 57.4 Ų | 57.4 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -80.8 | 78.5 | 176.2 | -165.3 | 64.6 | -175.7 | 0 | 0 | 110.8 | Y296 A300 A315 E333 | Y296-M325 HydrophobicContact CD1-SD 3.87Å; A300-M325 HydrophobicContact CB-CE 4.07Å; A315-M325 HydrophobicContact CB-CB 3.98Å; A315-M325 HydrophobicContact CB-SD 4.17Å; M325-E333 HydrophobicContact CE-CG 4.4Å |
| 326 | M | 82 | Confident | 85.4 | Confident | 31 Ų | 31 | 60.5 Ų | 60.5 | 15% | 0.153 | 34% | 0.343 | C | S | . | . | trans | -78.4 | 126.6 | 170.7 | -177.5 | -171.4 | -62.5 | 0 | 0 | 110 | K243 D288 E289 R290 N323 G324 | K243-M326 HydrophobicContact CD-SD 3.64Å; K243-M326 PolarHBondContact NZ-SD 3.14Å; D288-M326 VanDerWaalsContact C-CE 3.48Å; D288-M326 VanDerWaalsContact O-SD 3.4Å; E289-M326 WeakPolarHBondContact O-CE 2.95Å; R290-M326 HydrophobicContact CG-CB 4.41Å; R290-M326 HydrophobicContact CG-SD 4.23Å; R290-M326 PolarHBondContact NE-O 2.77Å; R290-M326 PolarHBondContact NH2-O 2.81Å; N323-M326 HydrophobicContact CB-CE 3.77Å; G324-M326 VanDerWaalsContact C-N 3.33Å; G324-M326 PolarHBondContact O-N 3.46Å | ||
| 327 | E | 79.9 | Confident | 85.8 | Confident | 164 Ų | 164 | 57.2 Ų | 57.2 | 77% | 0.766 | 32% | 0.318 | S | S | * | . | trans | -79.8 | 160.9 | 177.6 | -66 | -176.1 | 167.1 | 0 | 0 | 112.9 | ||||
| 328 | L | 81 | Confident | 85.9 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | trans | -113.6 | 133.1 | 176.2 | -82.2 | 176.1 | 0 | 0 | 0 | 110.9 | K243 D248 R290 G330 I331 | K243-L328 HydrophobicContact CB-CD2 4.18Å; K243-L328 HydrophobicContact CD-CD2 3.83Å; K243-L328 HydrophobicContact CG-CD2 3.78Å; D248-L328 HydrophobicContact CB-CD2 3.93Å; R290-L328 VanDerWaalsContact NH1-CD1 3.35Å; L328-G330 PolarHBondContact O-N 2.81Å; L328-G330 VanDerWaalsContact O-N 3.08Å; L328-I331 HydrophobicContact CB-CB 3.95Å; L328-I331 HydrophobicContact CB-CD1 4.18Å; L328-I331 HydrophobicContact CB-CG1 4.48Å; L328-I331 HydrophobicContact CB-CG2 4.46Å; L328-I331 HydrophobicContact CD1-CD1 4.03Å; L328-I331 PolarHBondContact O-N 3.45Å | ||
| 329 | P | 78.7 | Confident | 85.9 | Confident | 102 Ų | 102 | 64.5 Ų | 64.5 | 66% | 0.662 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 111.2 | -175 | 27 | -33.9 | 0 | 0 | 0 | 111.4 | ||
| 330 | G | 73.6 | Confident | 86 | Confident | 87 Ų | 87 | 58.3 Ų | 58.3 | 90% | 0.897 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 19.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L328 | L328-G330 PolarHBondContact O-N 2.81Å; L328-G330 VanDerWaalsContact O-N 3.08Å |
| 331 | I | 78.6 | Confident | 86 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | trans | -120 | 122.3 | 178.4 | -71.2 | 174.7 | 0 | 0 | 0 | 109.8 | L328 F336 | L328-I331 HydrophobicContact CB-CB 3.95Å; L328-I331 HydrophobicContact CB-CD1 4.18Å; L328-I331 HydrophobicContact CB-CG1 4.48Å; L328-I331 HydrophobicContact CB-CG2 4.46Å; L328-I331 HydrophobicContact CD1-CD1 4.03Å; L328-I331 PolarHBondContact O-N 3.45Å; I331-F336 HydrophobicContact CB-CE2 4.47Å; I331-F336 HydrophobicContact CG1-CE2 4.32Å; I331-F336 HydrophobicContact CG1-CZ 4.48Å; I331-F336 HydrophobicContact CG2-CD2 3.83Å; I331-F336 HydrophobicContact CG2-CE2 3.85Å; I331-F336 HydrophobicContact CG2-CG 4.42Å; I331-F336 HydrophobicContact CG2-CZ 4.45Å | ||
| 332 | D | 84.6 | Confident | 86 | Confident | 69 Ų | 69 | 63.4 Ų | 63.4 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | trans | -89.3 | 108.3 | 167.3 | 171.2 | 24 | 0 | 0 | 0 | 109.7 | Q334 Q335 F336 R338 | D332-Q334 PolarHBondContact O-N 2.74Å; D332-Q334 WeakPolarHBondContact OD1-CB 3.11Å; D332-Q334 PolarHBondContact OD1-N 3.43Å; D332-Q335 HydrophobicContact CB-CB 3.98Å; D332-Q335 VanDerWaalsContact CG-N 3.34Å; D332-Q335 PolarHBondContact O-N 2.83Å; D332-Q335 VanDerWaalsContact O-N 3.14Å; D332-Q335 VanDerWaalsContact OD2-CB 3.3Å; D332-Q335 WeakPolarHBondContact OD2-CB 3.43Å; D332-Q335 PolarHBondContact OD2-N 2.76Å; D332-F336 WeakPolarHBondContact O-CD2 3.36Å; D332-F336 PolarHBondContact O-N 3.26Å; D332-R338 IonicContact OD2-NH2 3.55Å; D332-R338 PolarHBondContact OD2-NH2 2.7Å | ||
| 333 | E | 87.5 | Confident | 86.4 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 7% | 0.07 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.7 | -32 | 176.5 | -58.2 | -64.7 | 160.1 | 0 | 0 | 112.4 | R290 Q297 A300 M325 F336 F337 | R290-E333 IonicContact CZ-OE1 2.66Å; R290-E333 IonicContact NH1-OE1 3.31Å; R290-E333 PolarHBondContact NH1-OE1 3.44Å; R290-E333 IonicContact NH1-OE2 2.75Å; R290-E333 IonicContact NH2-OE1 3.23Å; R290-E333 PolarHBondContact NH2-OE1 2.91Å; Q297-E333 WeakPolarHBondContact CG-OE2 3.49Å; A300-E333 HydrophobicContact CB-CB 3.66Å; A300-E333 HydrophobicContact CB-CG 4.28Å; M325-E333 HydrophobicContact CE-CG 4.4Å; E333-F336 PolarHBondContact O-N 2.77Å; E333-F337 WeakPolarHBondContact O-CB 3.42Å; E333-F337 PolarHBondContact O-N 3.34Å |
| 334 | Q | 88.5 | Confident | 86.8 | Confident | 94 Ų | 94 | 57.7 Ų | 57.7 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -73.9 | -35.3 | 179.4 | -59.3 | -169.9 | -9.3 | 0 | 0 | 112.4 | A300 S301 D332 R338 | A300-Q334 PolarHBondContact O-NE2 3.36Å; S301-Q334 WeakPolarHBondContact OG-CA 3.25Å; D332-Q334 PolarHBondContact O-N 2.74Å; D332-Q334 WeakPolarHBondContact OD1-CB 3.11Å; D332-Q334 PolarHBondContact OD1-N 3.43Å; Q334-R338 WeakPolarHBondContact O-CG 3.3Å; Q334-R338 PolarHBondContact O-N 3.44Å; Q334-R338 VanDerWaalsContact O-N 3.15Å; Q334-R338 PolarHBondContact O-NE 3.27Å |
| 335 | Q | 90.1 | Very high | 87.1 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 43% | 0.425 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.6 | -48.1 | 169.6 | 178.5 | 174.1 | -19.9 | 0 | 0 | 110.7 | D332 F337 R338 E339 | D332-Q335 HydrophobicContact CB-CB 3.98Å; D332-Q335 VanDerWaalsContact CG-N 3.34Å; D332-Q335 PolarHBondContact O-N 2.83Å; D332-Q335 VanDerWaalsContact O-N 3.14Å; D332-Q335 VanDerWaalsContact OD2-CB 3.3Å; D332-Q335 WeakPolarHBondContact OD2-CB 3.43Å; D332-Q335 PolarHBondContact OD2-N 2.76Å; Q335-F337 VanDerWaalsContact C-N 3.32Å; Q335-F337 PolarHBondContact O-N 2.64Å; Q335-R338 VanDerWaalsContact CA-NH2 3.31Å; Q335-R338 WeakPolarHBondContact O-CB 3.37Å; Q335-R338 PolarHBondContact O-N 2.77Å; Q335-R338 VanDerWaalsContact O-N 3.15Å; Q335-E339 HydrophobicContact CG-CG 4.41Å; Q335-E339 VanDerWaalsContact CG-OE1 3.31Å; Q335-E339 WeakPolarHBondContact CG-OE1 2.79Å; Q335-E339 PolarHBondContact NE2-OE1 2.84Å; Q335-E339 WeakPolarHBondContact O-CG 3.32Å; Q335-E339 PolarHBondContact O-N 2.73Å |
| 336 | F | 89.1 | Confident | 87.4 | Confident | 66 Ų | 66 | 60.9 Ų | 60.9 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.9 | -33.8 | -179.4 | -85.1 | -104.3 | 0 | 0 | 0 | 112.8 | Q297 I331 D332 E333 T340 | Q297-F336 HydrophobicContact CG-CB 4.42Å; I331-F336 HydrophobicContact CB-CE2 4.47Å; I331-F336 HydrophobicContact CG1-CE2 4.32Å; I331-F336 HydrophobicContact CG1-CZ 4.48Å; I331-F336 HydrophobicContact CG2-CD2 3.83Å; I331-F336 HydrophobicContact CG2-CE2 3.85Å; I331-F336 HydrophobicContact CG2-CG 4.42Å; I331-F336 HydrophobicContact CG2-CZ 4.45Å; D332-F336 WeakPolarHBondContact O-CD2 3.36Å; D332-F336 PolarHBondContact O-N 3.26Å; E333-F336 PolarHBondContact O-N 2.77Å; F336-T340 WeakPolarHBondContact O-CB 3.39Å; F336-T340 PolarHBondContact O-N 3.19Å; F336-T340 PolarHBondContact O-OG1 3.32Å |
| 337 | F | 92.8 | Very high | 87.8 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 9% | 0.092 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 171.7 | -171.4 | -103.6 | 0 | 0 | 0 | 112.4 | Q297 L298 S301 M306 E333 Q335 T340 T341 F358 | Q297-F337 HydrophobicContact CB-CB 4.11Å; Q297-F337 HydrophobicContact CB-CD2 3.98Å; L298-F337 HydrophobicContact CB-CE2 4.46Å; L298-F337 HydrophobicContact CD1-CE2 4.26Å; L298-F337 HydrophobicContact CD1-CZ 4.33Å; S301-F337 VanDerWaalsContact CB-CD1 3.4Å; S301-F337 WeakPolarHBondContact OG-CB 3.12Å; M306-F337 HydrophobicContact CE-CZ 4.18Å; E333-F337 WeakPolarHBondContact O-CB 3.42Å; E333-F337 PolarHBondContact O-N 3.34Å; Q335-F337 VanDerWaalsContact C-N 3.32Å; Q335-F337 PolarHBondContact O-N 2.64Å; F337-T340 PolarHBondContact O-N 3.34Å; F337-T341 HydrophobicContact CD1-CG2 4.45Å; F337-T341 HydrophobicContact CE1-CG2 3.99Å; F337-T341 HydrophobicContact CZ-CG2 4.04Å; F337-T341 PolarHBondContact O-N 2.59Å; F337-T341 PolarHBondContact O-OG1 2.71Å; F337-F358 AromaticContact CE2-CE1 3.83Å; F337-F358 HydrophobicContact CE2-CE1 3.83Å; F337-F358 AromaticContact CE2-CZ 3.91Å; F337-F358 HydrophobicContact CE2-CZ 3.91Å; F337-F358 HydrophobicContact CZ-CE1 4.07Å; F337-F358 HydrophobicContact CZ-CE2 4.18Å; F337-F358 AromaticContact CZ-CZ 3.74Å; F337-F358 HydrophobicContact CZ-CZ 3.74Å |
| 338 | R | 92.5 | Very high | 88.2 | Confident | 133 Ų | 133 | 53.6 Ų | 53.6 | 50% | 0.502 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 173.8 | -73.1 | -177.5 | -61.9 | -100.6 | -0.8 | 111.9 | D332 Q334 Q335 T340 T341 E342 | D332-R338 IonicContact OD2-NH2 3.55Å; D332-R338 PolarHBondContact OD2-NH2 2.7Å; Q334-R338 WeakPolarHBondContact O-CG 3.3Å; Q334-R338 PolarHBondContact O-N 3.44Å; Q334-R338 VanDerWaalsContact O-N 3.15Å; Q334-R338 PolarHBondContact O-NE 3.27Å; Q335-R338 VanDerWaalsContact CA-NH2 3.31Å; Q335-R338 WeakPolarHBondContact O-CB 3.37Å; Q335-R338 PolarHBondContact O-N 2.77Å; Q335-R338 VanDerWaalsContact O-N 3.15Å; R338-T340 VanDerWaalsContact C-N 3.27Å; R338-T340 PolarHBondContact O-N 2.77Å; R338-T341 WeakPolarHBondContact CA-OG1 3.08Å; R338-T341 PolarHBondContact O-N 2.72Å; R338-T341 PolarHBondContact O-OG1 2.62Å; R338-T341 VanDerWaalsContact O-OG1 3.05Å; R338-E342 WeakPolarHBondContact O-CB 3.15Å; R338-E342 PolarHBondContact O-N 2.93Å |
| 339 | E | 91.2 | Very high | 88.7 | Confident | 72 Ų | 72 | 53.1 Ų | 53.1 | 34% | 0.336 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.4 | -33.1 | 176.2 | -71.7 | -179.9 | -158.8 | 0 | 0 | 112.3 | Q335 A343 | Q335-E339 HydrophobicContact CG-CG 4.41Å; Q335-E339 VanDerWaalsContact CG-OE1 3.31Å; Q335-E339 WeakPolarHBondContact CG-OE1 2.79Å; Q335-E339 PolarHBondContact NE2-OE1 2.84Å; Q335-E339 WeakPolarHBondContact O-CG 3.32Å; Q335-E339 PolarHBondContact O-N 2.73Å; E339-A343 VanDerWaalsContact O-CB 3.27Å; E339-A343 WeakPolarHBondContact O-CB 3.24Å; E339-A343 PolarHBondContact O-N 2.69Å; E339-A343 VanDerWaalsContact O-N 3.08Å |
| 340 | T | 92.9 | Very high | 89.2 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.9 | -42.3 | 177 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | A238 F336 F337 R338 A343 M344 | A238-T340 HydrophobicContact CB-CG2 3.82Å; F336-T340 WeakPolarHBondContact O-CB 3.39Å; F336-T340 PolarHBondContact O-N 3.19Å; F336-T340 PolarHBondContact O-OG1 3.32Å; F337-T340 PolarHBondContact O-N 3.34Å; R338-T340 VanDerWaalsContact C-N 3.27Å; R338-T340 PolarHBondContact O-N 2.77Å; T340-A343 WeakPolarHBondContact O-CB 3.34Å; T340-A343 PolarHBondContact O-N 3.07Å; T340-M344 HydrophobicContact CG2-CE 4.14Å; T340-M344 WeakPolarHBondContact O-CG 2.86Å; T340-M344 PolarHBondContact O-N 2.67Å |
| 341 | T | 92.7 | Very high | 90.1 | Very high | 29 Ų | 29 | 52.3 Ų | 52.3 | 18% | 0.178 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.7 | -42.6 | 176.4 | 42.7 | 0 | 0 | 0 | 0 | 112 | F337 R338 A343 M344 D345 F358 | F337-T341 HydrophobicContact CD1-CG2 4.45Å; F337-T341 HydrophobicContact CE1-CG2 3.99Å; F337-T341 HydrophobicContact CZ-CG2 4.04Å; F337-T341 PolarHBondContact O-N 2.59Å; F337-T341 PolarHBondContact O-OG1 2.71Å; R338-T341 WeakPolarHBondContact CA-OG1 3.08Å; R338-T341 PolarHBondContact O-N 2.72Å; R338-T341 PolarHBondContact O-OG1 2.62Å; R338-T341 VanDerWaalsContact O-OG1 3.05Å; T341-A343 VanDerWaalsContact C-N 3.27Å; T341-A343 PolarHBondContact O-N 3.16Å; T341-M344 WeakPolarHBondContact O-CB 2.94Å; T341-M344 PolarHBondContact O-N 3.22Å; T341-M344 VanDerWaalsContact O-N 3.07Å; T341-D345 PolarHBondContact O-N 3.29Å; T341-F358 HydrophobicContact CG2-CZ 4.1Å |
| 342 | E | 92.3 | Very high | 90.6 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.8 | -37.7 | 172.6 | -166.3 | -148 | 122.5 | 0 | 0 | 111.8 | K231 R338 D345 I346 | K231-E342 WeakPolarHBondContact CE-OE1 3.08Å; K231-E342 IonicContact NZ-OE1 3.33Å; K231-E342 PolarHBondContact NZ-OE1 3.34Å; K231-E342 IonicContact NZ-OE2 3.43Å; R338-E342 WeakPolarHBondContact O-CB 3.15Å; R338-E342 PolarHBondContact O-N 2.93Å; E342-D345 PolarHBondContact O-N 3.48Å; E342-I346 HydrophobicContact CG-CD1 4.26Å; E342-I346 VanDerWaalsContact O-CG1 3.32Å; E342-I346 WeakPolarHBondContact O-CG1 3.08Å; E342-I346 PolarHBondContact O-N 3.18Å; E342-I346 VanDerWaalsContact O-N 3.09Å; E342-I346 WeakPolarHBondContact OE1-CD1 3.13Å |
| 343 | A | 92.6 | Very high | 91 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | K231 P234 I235 E339 T340 T341 I346 M347 | K231-A343 HydrophobicContact CB-CB 4.11Å; K231-A343 HydrophobicContact CD-CB 4.13Å; K231-A343 WeakPolarHBondContact O-CB 3.42Å; P234-A343 HydrophobicContact CB-CB 4.19Å; I235-A343 HydrophobicContact CD1-CB 4.2Å; I235-A343 HydrophobicContact CG1-CB 3.8Å; E339-A343 VanDerWaalsContact O-CB 3.27Å; E339-A343 WeakPolarHBondContact O-CB 3.24Å; E339-A343 PolarHBondContact O-N 2.69Å; E339-A343 VanDerWaalsContact O-N 3.08Å; T340-A343 WeakPolarHBondContact O-CB 3.34Å; T340-A343 PolarHBondContact O-N 3.07Å; T341-A343 VanDerWaalsContact C-N 3.27Å; T341-A343 PolarHBondContact O-N 3.16Å; A343-I346 PolarHBondContact O-N 3.35Å; A343-M347 WeakPolarHBondContact O-CB 2.95Å; A343-M347 VanDerWaalsContact O-CG 3.26Å; A343-M347 WeakPolarHBondContact O-CG 3.31Å; A343-M347 PolarHBondContact O-N 3.06Å |
| 344 | M | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 174.8 | -73.5 | 178.8 | 174.4 | 0 | 0 | 112 | I235 F239 T340 T341 M347 G348 I349 Q354 | I235-M344 HydrophobicContact CD1-CG 4Å; I235-M344 HydrophobicContact CG1-CG 4.17Å; I235-M344 HydrophobicContact CG2-CE 4.1Å; F239-M344 HydrophobicContact CE2-CE 3.48Å; F239-M344 VanDerWaalsContact CE2-CE 3.48Å; F239-M344 HydrophobicContact CZ-CE 3.84Å; T340-M344 HydrophobicContact CG2-CE 4.14Å; T340-M344 WeakPolarHBondContact O-CG 2.86Å; T340-M344 PolarHBondContact O-N 2.67Å; T341-M344 WeakPolarHBondContact O-CB 2.94Å; T341-M344 PolarHBondContact O-N 3.22Å; T341-M344 VanDerWaalsContact O-N 3.07Å; M344-M347 CarbonylContact O-C 3.58Å; M344-M347 PolarHBondContact O-N 2.87Å; M344-G348 PolarHBondContact O-N 2.9Å; M344-I349 HydrophobicContact CB-CB 4.18Å; M344-I349 HydrophobicContact CB-CD1 4.43Å; M344-I349 HydrophobicContact CG-CD1 4.18Å; M344-I349 PolarHBondContact O-N 2.78Å; M344-Q354 HydrophobicContact CB-CG 4.11Å; M344-Q354 HydrophobicContact SD-CG 3.88Å |
| 345 | D | 92.2 | Very high | 91.4 | Very high | 88 Ų | 88 | 52.6 Ų | 52.6 | 47% | 0.471 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.4 | -49.4 | 174.9 | -72.1 | -21.4 | 0 | 0 | 0 | 111.6 | T341 E342 M347 G348 Q354 | T341-D345 PolarHBondContact O-N 3.29Å; E342-D345 PolarHBondContact O-N 3.48Å; D345-M347 VanDerWaalsContact C-N 3.26Å; D345-M347 PolarHBondContact O-N 2.85Å; D345-G348 PolarHBondContact O-N 3.36Å; D345-Q354 PolarHBondContact OD1-NE2 3.49Å |
| 346 | I | 89.1 | Confident | 91.5 | Very high | 58 Ų | 58 | 48.4 Ų | 48.4 | 30% | 0.297 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.9 | -33.5 | 179 | -68.5 | 165.8 | 0 | 0 | 0 | 111.7 | Q228 K231 E342 A343 G348 | Q228-I346 HydrophobicContact CG-CG2 3.95Å; Q228-I346 VanDerWaalsContact CG-O 3.28Å; Q228-I346 WeakPolarHBondContact CG-O 3.23Å; Q228-I346 PolarHBondContact NE2-O 2.83Å; K231-I346 HydrophobicContact CB-CG2 4.21Å; K231-I346 HydrophobicContact CD-CD1 3.87Å; K231-I346 HydrophobicContact CG-CB 4.44Å; K231-I346 HydrophobicContact CG-CD1 3.91Å; K231-I346 HydrophobicContact CG-CG2 4.11Å; E342-I346 HydrophobicContact CG-CD1 4.26Å; E342-I346 VanDerWaalsContact O-CG1 3.32Å; E342-I346 WeakPolarHBondContact O-CG1 3.08Å; E342-I346 PolarHBondContact O-N 3.18Å; E342-I346 VanDerWaalsContact O-N 3.09Å; E342-I346 WeakPolarHBondContact OE1-CD1 3.13Å; A343-I346 PolarHBondContact O-N 3.35Å; I346-G348 PolarHBondContact O-N 3.33Å |
| 347 | M | 89.7 | Confident | 91.8 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -1.1 | 174.6 | -71.5 | -55.1 | -54.1 | 0 | 0 | 114.4 | Q228 A232 I235 A343 M344 D345 I451 T454 L455 | Q228-M347 HydrophobicContact CB-CE 4.43Å; Q228-M347 HydrophobicContact CB-SD 3.59Å; Q228-M347 VanDerWaalsContact CB-SD 3.59Å; Q228-M347 HydrophobicContact CG-SD 3.86Å; A232-M347 HydrophobicContact CB-SD 4.29Å; I235-M347 HydrophobicContact CD1-CB 4.05Å; I235-M347 HydrophobicContact CD1-CG 3.67Å; A343-M347 WeakPolarHBondContact O-CB 2.95Å; A343-M347 VanDerWaalsContact O-CG 3.26Å; A343-M347 WeakPolarHBondContact O-CG 3.31Å; A343-M347 PolarHBondContact O-N 3.06Å; M344-M347 CarbonylContact O-C 3.58Å; M344-M347 PolarHBondContact O-N 2.87Å; D345-M347 VanDerWaalsContact C-N 3.26Å; D345-M347 PolarHBondContact O-N 2.85Å; M347-I451 HydrophobicContact CE-CB 4.18Å; M347-I451 HydrophobicContact CE-CG1 4.18Å; M347-I451 HydrophobicContact CE-CG2 3.94Å; M347-T454 HydrophobicContact CE-CG2 3.76Å; M347-T454 WeakPolarHBondContact O-CG2 3.12Å; M347-T454 PolarHBondContact O-OG1 2.62Å; M347-L455 HydrophobicContact CE-CD2 4.27Å; M347-L455 HydrophobicContact CE-CG 4.17Å |
| 348 | G | 88.6 | Confident | 91.9 | Very high | 40 Ų | 40 | 44.6 Ų | 44.6 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 31.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | M344 D345 I346 R450 | M344-G348 PolarHBondContact O-N 2.9Å; D345-G348 PolarHBondContact O-N 3.36Å; I346-G348 PolarHBondContact O-N 3.33Å; G348-R450 PolarHBondContact O-NH2 2.83Å |
| 349 | I | 91.6 | Very high | 92 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | trans | -92 | 111.6 | 168.2 | -57.1 | 175.8 | 0 | 0 | 0 | 106.5 | I235 M344 D353 Q354 I357 L447 R450 | I235-I349 HydrophobicContact CD1-CD1 4.44Å; M344-I349 HydrophobicContact CB-CB 4.18Å; M344-I349 HydrophobicContact CB-CD1 4.43Å; M344-I349 HydrophobicContact CG-CD1 4.18Å; M344-I349 PolarHBondContact O-N 2.78Å; I349-D353 HydrophobicContact CG2-CB 3.59Å; I349-Q354 HydrophobicContact CG2-CG 3.91Å; I349-Q354 PolarHBondContact O-NE2 3.46Å; I349-I357 HydrophobicContact CG2-CD1 4.01Å; I349-L447 HydrophobicContact CD1-CD2 4Å; I349-R450 HydrophobicContact CD1-CG 4.45Å; I349-R450 HydrophobicContact CG1-CG 4Å | ||
| 350 | N | 90.3 | Very high | 92.2 | Very high | 67 Ų | 67 | 37.9 Ų | 37.9 | 36% | 0.358 | 20% | 0.2 | S | C | . | . | trans | -74 | 166.2 | -171.8 | 77.1 | -7.5 | 0 | 0 | 0 | 111.9 | E352 D353 Q354 | N350-E352 PolarHBondContact ND2-OE2 2.76Å; N350-E352 VanDerWaalsContact ND2-OE2 3.14Å; N350-E352 PolarHBondContact O-N 3.07Å; N350-E352 VanDerWaalsContact O-N 3.1Å; N350-E352 PolarHBondContact OD1-N 2.87Å; N350-D353 PolarHBondContact O-N 2.87Å; N350-D353 VanDerWaalsContact OD1-CB 3.29Å; N350-D353 WeakPolarHBondContact OD1-CB 2.94Å; N350-D353 VanDerWaalsContact OD1-CG 3.27Å; N350-D353 PolarHBondContact OD1-N 3.48Å; N350-Q354 WeakPolarHBondContact O-CG 3.27Å; N350-Q354 PolarHBondContact O-N 2.77Å | ||
| 351 | N | 90.8 | Very high | 92.3 | Very high | 106 Ų | 106 | 37.7 Ų | 37.7 | 57% | 0.567 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -58.7 | -23.6 | 179.3 | -79.2 | -65.9 | 0 | 0 | 0 | 113.4 | N355 | N351-N355 WeakPolarHBondContact O-CB 2.99Å; N351-N355 PolarHBondContact O-N 3.29Å; N351-N355 PolarHBondContact O-ND2 2.93Å |
| 352 | E | 90.6 | Very high | 92.4 | Very high | 147 Ų | 147 | 36.3 Ų | 36.3 | 69% | 0.687 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -76.3 | -48.2 | 177.9 | -60.8 | 171.1 | 153.5 | 0 | 0 | 111 | N350 N355 A356 | N350-E352 PolarHBondContact ND2-OE2 2.76Å; N350-E352 VanDerWaalsContact ND2-OE2 3.14Å; N350-E352 PolarHBondContact O-N 3.07Å; N350-E352 VanDerWaalsContact O-N 3.1Å; N350-E352 PolarHBondContact OD1-N 2.87Å; E352-N355 PolarHBondContact O-N 3.03Å; E352-A356 WeakPolarHBondContact O-CB 3.02Å; E352-A356 PolarHBondContact O-N 2.81Å |
| 353 | D | 91.9 | Very high | 92.5 | Very high | 31 Ų | 31 | 32 Ų | 32 | 17% | 0.166 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.9 | -47.5 | 170.6 | -75.4 | -23.9 | 0 | 0 | 0 | 110 | I349 N350 N355 A356 I357 W446 R450 | I349-D353 HydrophobicContact CG2-CB 3.59Å; N350-D353 PolarHBondContact O-N 2.87Å; N350-D353 VanDerWaalsContact OD1-CB 3.29Å; N350-D353 WeakPolarHBondContact OD1-CB 2.94Å; N350-D353 VanDerWaalsContact OD1-CG 3.27Å; N350-D353 PolarHBondContact OD1-N 3.48Å; D353-N355 PolarHBondContact O-N 3.32Å; D353-A356 WeakPolarHBondContact O-CB 3.4Å; D353-A356 PolarHBondContact O-N 3.18Å; D353-A356 VanDerWaalsContact O-N 3.11Å; D353-I357 WeakPolarHBondContact O-CD1 3.08Å; D353-I357 VanDerWaalsContact O-CG1 3.24Å; D353-I357 WeakPolarHBondContact O-CG1 3.34Å; D353-I357 PolarHBondContact O-N 2.86Å; D353-W446 HydrophobicContact CB-CH2 4.18Å; D353-R450 IonicContact OD2-CZ 3.79Å; D353-R450 IonicContact OD2-NH1 3.27Å; D353-R450 PolarHBondContact OD2-NH1 2.86Å; D353-R450 IonicContact OD2-NH2 2.88Å; D353-R450 PolarHBondContact OD2-NH2 3.07Å |
| 354 | Q | 93 | Very high | 92.6 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.5 | -48.1 | 177 | -69.4 | -176.9 | 43.8 | 0 | 0 | 111.7 | M344 D345 I349 N350 A356 I357 F358 | M344-Q354 HydrophobicContact CB-CG 4.11Å; M344-Q354 HydrophobicContact SD-CG 3.88Å; D345-Q354 PolarHBondContact OD1-NE2 3.49Å; I349-Q354 HydrophobicContact CG2-CG 3.91Å; I349-Q354 PolarHBondContact O-NE2 3.46Å; N350-Q354 WeakPolarHBondContact O-CG 3.27Å; N350-Q354 PolarHBondContact O-N 2.77Å; Q354-A356 VanDerWaalsContact C-N 3.28Å; Q354-A356 PolarHBondContact O-N 2.94Å; Q354-I357 WeakPolarHBondContact O-CB 3.34Å; Q354-I357 PolarHBondContact O-N 2.79Å; Q354-F358 HydrophobicContact CB-CE2 4.07Å; Q354-F358 WeakPolarHBondContact O-CD2 3.04Å; Q354-F358 VanDerWaalsContact O-CG 3.27Å; Q354-F358 WeakPolarHBondContact O-CG 3.04Å; Q354-F358 PolarHBondContact O-N 2.91Å |
| 355 | N | 92 | Very high | 92.6 | Very high | 49 Ų | 49 | 32.1 Ų | 32.1 | 26% | 0.262 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.6 | -30.9 | 175.6 | -81.2 | -63.1 | 0 | 0 | 0 | 112.8 | N351 E352 D353 R359 | N351-N355 WeakPolarHBondContact O-CB 2.99Å; N351-N355 PolarHBondContact O-N 3.29Å; N351-N355 PolarHBondContact O-ND2 2.93Å; E352-N355 PolarHBondContact O-N 3.03Å; D353-N355 PolarHBondContact O-N 3.32Å; N355-R359 WeakPolarHBondContact O-CG 3.43Å; N355-R359 PolarHBondContact O-N 2.73Å; N355-R359 PolarHBondContact O-NH1 2.74Å |
| 356 | A | 93 | Very high | 92.7 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 3% | 0.025 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.8 | -43.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E352 D353 Q354 F358 R359 V360 F621 | E352-A356 WeakPolarHBondContact O-CB 3.02Å; E352-A356 PolarHBondContact O-N 2.81Å; D353-A356 WeakPolarHBondContact O-CB 3.4Å; D353-A356 PolarHBondContact O-N 3.18Å; D353-A356 VanDerWaalsContact O-N 3.11Å; Q354-A356 VanDerWaalsContact C-N 3.28Å; Q354-A356 PolarHBondContact O-N 2.94Å; A356-F358 VanDerWaalsContact C-N 3.3Å; A356-F358 PolarHBondContact O-N 3.48Å; A356-R359 PolarHBondContact O-N 3.42Å; A356-V360 WeakPolarHBondContact O-CG2 3.45Å; A356-V360 PolarHBondContact O-N 2.85Å; A356-F621 HydrophobicContact CB-CB 3.8Å; A356-F621 HydrophobicContact CB-CD1 3.7Å; A356-F621 HydrophobicContact CB-CD2 3.81Å; A356-F621 HydrophobicContact CB-CE1 4.19Å; A356-F621 HydrophobicContact CB-CE2 4.29Å; A356-F621 HydrophobicContact CB-CG 3.5Å; A356-F621 VanDerWaalsContact CB-CG 3.5Å; A356-F621 HydrophobicContact CB-CZ 4.48Å |
| 357 | I | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -53.8 | -47.9 | 171.3 | -68.4 | 157 | 0 | 0 | 0 | 110.2 | F239 I349 D353 Q354 V360 I361 L443 W446 L447 F621 | F239-I357 HydrophobicContact CE1-CG2 3.73Å; F239-I357 HydrophobicContact CZ-CG2 3.49Å; F239-I357 VanDerWaalsContact CZ-CG2 3.49Å; I349-I357 HydrophobicContact CG2-CD1 4.01Å; D353-I357 WeakPolarHBondContact O-CD1 3.08Å; D353-I357 VanDerWaalsContact O-CG1 3.24Å; D353-I357 WeakPolarHBondContact O-CG1 3.34Å; D353-I357 PolarHBondContact O-N 2.86Å; Q354-I357 WeakPolarHBondContact O-CB 3.34Å; Q354-I357 PolarHBondContact O-N 2.79Å; I357-V360 PolarHBondContact O-N 3.26Å; I357-I361 HydrophobicContact CG2-CD1 3.84Å; I357-I361 WeakPolarHBondContact O-CD1 3.32Å; I357-I361 VanDerWaalsContact O-CG1 3.31Å; I357-I361 WeakPolarHBondContact O-CG1 3.09Å; I357-I361 PolarHBondContact O-N 3.14Å; I357-L443 HydrophobicContact CB-CD1 4.43Å; I357-L443 HydrophobicContact CG1-CD1 4.05Å; I357-L443 HydrophobicContact CG2-CD1 4.32Å; I357-L443 HydrophobicContact CG2-CD2 4.41Å; I357-W446 HydrophobicContact CD1-CZ3 4.14Å; I357-L447 HydrophobicContact CD1-CD2 3.83Å; I357-F621 HydrophobicContact CG1-CE1 4.4Å; I357-F621 HydrophobicContact CG1-CE2 4.23Å; I357-F621 HydrophobicContact CG1-CZ 3.63Å |
| 358 | F | 94.7 | Very high | 93 | Very high | 8 Ų | 8 | 25.5 Ų | 25.5 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.6 | -33.1 | 179.2 | -54.1 | -44.8 | 0 | 0 | 0 | 113.8 | I294 L298 M306 L310 F337 T341 Q354 A356 I361 S362 | I294-F358 HydrophobicContact CD1-CE1 4.39Å; L298-F358 HydrophobicContact CD1-CB 4.44Å; L298-F358 HydrophobicContact CD1-CD1 4.19Å; L298-F358 HydrophobicContact CD1-CG 4.32Å; M306-F358 HydrophobicContact CE-CB 4.12Å; M306-F358 HydrophobicContact CE-CD2 3.33Å; M306-F358 HydrophobicContact CE-CE2 3.83Å; M306-F358 HydrophobicContact CE-CG 3.78Å; L310-F358 HydrophobicContact CD1-CB 3.58Å; L310-F358 HydrophobicContact CD2-CB 4.43Å; F337-F358 AromaticContact CE2-CE1 3.83Å; F337-F358 HydrophobicContact CE2-CE1 3.83Å; F337-F358 AromaticContact CE2-CZ 3.91Å; F337-F358 HydrophobicContact CE2-CZ 3.91Å; F337-F358 HydrophobicContact CZ-CE1 4.07Å; F337-F358 HydrophobicContact CZ-CE2 4.18Å; F337-F358 AromaticContact CZ-CZ 3.74Å; F337-F358 HydrophobicContact CZ-CZ 3.74Å; T341-F358 HydrophobicContact CG2-CZ 4.1Å; Q354-F358 HydrophobicContact CB-CE2 4.07Å; Q354-F358 WeakPolarHBondContact O-CD2 3.04Å; Q354-F358 VanDerWaalsContact O-CG 3.27Å; Q354-F358 WeakPolarHBondContact O-CG 3.04Å; Q354-F358 PolarHBondContact O-N 2.91Å; A356-F358 VanDerWaalsContact C-N 3.3Å; A356-F358 PolarHBondContact O-N 3.48Å; F358-I361 HydrophobicContact CD1-CD1 4.07Å; F358-S362 PolarHBondContact O-N 3.2Å |
| 359 | R | 94.4 | Very high | 93.2 | Very high | 62 Ų | 62 | 25.2 Ų | 25.2 | 23% | 0.234 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 169.2 | -76.8 | -166.7 | -55.2 | -77.8 | 10.6 | 111.5 | L310 N355 A356 S362 A363 L395 D619 | L310-R359 HydrophobicContact CD2-CB 4.4Å; L310-R359 HydrophobicContact CD2-CG 3.74Å; N355-R359 WeakPolarHBondContact O-CG 3.43Å; N355-R359 PolarHBondContact O-N 2.73Å; N355-R359 PolarHBondContact O-NH1 2.74Å; A356-R359 PolarHBondContact O-N 3.42Å; R359-S362 PolarHBondContact O-N 2.8Å; R359-A363 PolarHBondContact O-N 3.5Å; R359-L395 HydrophobicContact CB-CD2 4.41Å; R359-L395 HydrophobicContact CG-CD2 4.27Å; R359-D619 IonicContact CZ-OD2 3.98Å; R359-D619 IonicContact NE-OD2 3.66Å; R359-D619 PolarHBondContact NE-OD2 3.4Å; R359-D619 IonicContact NH2-OD1 3.74Å; R359-D619 IonicContact NH2-OD2 2.8Å; R359-D619 PolarHBondContact NH2-OD2 3.23Å |
| 360 | V | 94.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | -178.6 | 174.1 | 0 | 0 | 0 | 0 | 111.6 | A356 I357 A363 V364 I439 L443 F621 V622 M625 | A356-V360 WeakPolarHBondContact O-CG2 3.45Å; A356-V360 PolarHBondContact O-N 2.85Å; I357-V360 PolarHBondContact O-N 3.26Å; V360-A363 PolarHBondContact O-N 2.54Å; V360-V364 WeakPolarHBondContact O-CG2 3.42Å; V360-V364 PolarHBondContact O-N 3.3Å; V360-I439 HydrophobicContact CG1-CG2 3.32Å; V360-L443 HydrophobicContact CB-CD2 4.48Å; V360-L443 HydrophobicContact CG1-CD2 4.07Å; V360-F621 HydrophobicContact CG2-CD1 3.97Å; V360-F621 HydrophobicContact CG2-CE1 3.95Å; V360-V622 HydrophobicContact CG2-CG2 4.35Å; V360-M625 HydrophobicContact CG1-CE 4.18Å; V360-M625 HydrophobicContact CG1-SD 4.4Å; V360-M625 HydrophobicContact CG2-SD 4.36Å |
| 361 | I | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 172.9 | -68 | 158.6 | 0 | 0 | 0 | 111.2 | F239 I294 F295 L298 I357 F358 V364 L365 L443 | F239-I361 HydrophobicContact CE1-CD1 3.79Å; F239-I361 HydrophobicContact CE1-CG1 4.46Å; F239-I361 HydrophobicContact CZ-CD1 3.91Å; I294-I361 HydrophobicContact CG1-CD1 3.69Å; F295-I361 HydrophobicContact CD1-CG2 3.66Å; F295-I361 HydrophobicContact CE1-CG2 3.75Å; L298-I361 HydrophobicContact CD2-CB 4.21Å; L298-I361 HydrophobicContact CD2-CG2 3.68Å; I357-I361 HydrophobicContact CG2-CD1 3.84Å; I357-I361 WeakPolarHBondContact O-CD1 3.32Å; I357-I361 VanDerWaalsContact O-CG1 3.31Å; I357-I361 WeakPolarHBondContact O-CG1 3.09Å; I357-I361 PolarHBondContact O-N 3.14Å; F358-I361 HydrophobicContact CD1-CD1 4.07Å; I361-V364 PolarHBondContact O-N 2.72Å; I361-L365 PolarHBondContact O-N 3.25Å; I361-L365 VanDerWaalsContact O-N 3.15Å; I361-L443 HydrophobicContact CG1-CD2 3.92Å |
| 362 | S | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.8 | -41.3 | 177 | -172.6 | 0 | 0 | 0 | 0 | 112.2 | L310 L312 F358 R359 V364 L365 H366 | L310-S362 WeakPolarHBondContact O-CB 3.49Å; L310-S362 PolarHBondContact O-OG 2.7Å; L312-S362 WeakPolarHBondContact CD2-OG 3.36Å; F358-S362 PolarHBondContact O-N 3.2Å; R359-S362 PolarHBondContact O-N 2.8Å; S362-V364 VanDerWaalsContact C-N 3.3Å; S362-V364 PolarHBondContact O-N 2.74Å; S362-L365 WeakPolarHBondContact O-CB 3.16Å; S362-L365 PolarHBondContact O-N 2.7Å; S362-L365 VanDerWaalsContact O-N 3.1Å; S362-H366 PolarHBondContact O-CD2 3.44Å; S362-H366 VanDerWaalsContact O-CD2 3.24Å; S362-H366 PolarHBondContact O-N 3.32Å; S362-H366 PolarHBondContact OG-CD2 3.11Å |
| 363 | A | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.7 | -39.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R359 V360 H366 L367 L395 L396 | R359-A363 PolarHBondContact O-N 3.5Å; V360-A363 PolarHBondContact O-N 2.54Å; A363-H366 PolarHBondContact O-N 2.74Å; A363-L367 WeakPolarHBondContact O-CB 3.06Å; A363-L367 VanDerWaalsContact O-CG 3.31Å; A363-L367 WeakPolarHBondContact O-CG 3.41Å; A363-L367 PolarHBondContact O-N 2.74Å; A363-L395 HydrophobicContact CB-CB 3.99Å; A363-L396 HydrophobicContact CB-CD1 4.09Å; A363-L396 HydrophobicContact CB-CD2 3.53Å; A363-L396 HydrophobicContact CB-CG 3.59Å |
| 364 | V | 95 | Very high | 93 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 173.4 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | V282 F295 F320 V360 I361 S362 I439 | V282-V364 HydrophobicContact CG1-CG1 3.52Å; F295-V364 HydrophobicContact CE1-CG1 4.23Å; F295-V364 HydrophobicContact CZ-CG1 4.13Å; F320-V364 VanDerWaalsContact CD2-O 3.27Å; F320-V364 WeakPolarHBondContact CD2-O 3.25Å; F320-V364 WeakPolarHBondContact CE2-O 3.26Å; V360-V364 WeakPolarHBondContact O-CG2 3.42Å; V360-V364 PolarHBondContact O-N 3.3Å; I361-V364 PolarHBondContact O-N 2.72Å; S362-V364 VanDerWaalsContact C-N 3.3Å; S362-V364 PolarHBondContact O-N 2.74Å; V364-I439 HydrophobicContact CG2-CB 4.03Å; V364-I439 HydrophobicContact CG2-CG2 3.57Å |
| 365 | L | 94.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | 175.9 | -71.5 | 169.6 | 0 | 0 | 0 | 112.4 | F295 L299 L312 Y318 L321 I361 S362 | F295-L365 HydrophobicContact CD1-CD1 4.02Å; F295-L365 HydrophobicContact CD1-CD2 3.7Å; F295-L365 HydrophobicContact CD1-CG 3.79Å; F295-L365 HydrophobicContact CE1-CD2 4.09Å; F295-L365 HydrophobicContact CE1-CG 4.01Å; F295-L365 HydrophobicContact CG-CD2 4.45Å; L299-L365 HydrophobicContact CD1-CD1 4.38Å; L299-L365 HydrophobicContact CD2-CD1 4.44Å; L312-L365 HydrophobicContact CD2-CD1 4.45Å; Y318-L365 HydrophobicContact CD1-CB 3.69Å; Y318-L365 WeakPolarHBondContact CD1-O 3.48Å; Y318-L365 HydrophobicContact CD2-CD2 4.24Å; Y318-L365 HydrophobicContact CE1-CB 3.66Å; Y318-L365 HydrophobicContact CE2-CD1 4.19Å; Y318-L365 HydrophobicContact CG-CB 4.15Å; Y318-L365 HydrophobicContact CG-CD2 4.13Å; L321-L365 HydrophobicContact CD1-CD2 3.89Å; L321-L365 HydrophobicContact CD2-CD2 4.23Å; L321-L365 HydrophobicContact CG-CD2 3.92Å; I361-L365 PolarHBondContact O-N 3.25Å; I361-L365 VanDerWaalsContact O-N 3.15Å; S362-L365 WeakPolarHBondContact O-CB 3.16Å; S362-L365 PolarHBondContact O-N 2.7Å; S362-L365 VanDerWaalsContact O-N 3.1Å |
| 366 | H | 94.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.2 | -31.5 | 178.3 | -74.2 | -65.9 | 0 | 0 | 0 | 113.9 | L311 N313 S362 A363 G368 N369 V388 V392 | L311-H366 PolarHBondContact O-NE2 3.39Å; N313-H366 PolarHBondContact ND2-NE2 2.65Å; S362-H366 PolarHBondContact O-CD2 3.44Å; S362-H366 VanDerWaalsContact O-CD2 3.24Å; S362-H366 PolarHBondContact O-N 3.32Å; S362-H366 PolarHBondContact OG-CD2 3.11Å; A363-H366 PolarHBondContact O-N 2.74Å; H366-G368 PolarHBondContact O-N 3.41Å; H366-N369 PolarHBondContact O-N 3.47Å; H366-V388 WeakPolarHBondContact O-CG1 2.77Å; H366-V392 HydrophobicContact CB-CG2 3.62Å |
| 367 | L | 93.4 | Very high | 91.7 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.6 | -38.4 | 174.7 | -84.1 | 164.9 | 0 | 0 | 0 | 111.8 | F320 A363 N369 L370 V392 F407 V432 S436 I439 | F320-L367 HydrophobicContact CE2-CB 4.34Å; A363-L367 WeakPolarHBondContact O-CB 3.06Å; A363-L367 VanDerWaalsContact O-CG 3.31Å; A363-L367 WeakPolarHBondContact O-CG 3.41Å; A363-L367 PolarHBondContact O-N 2.74Å; L367-N369 PolarHBondContact O-N 2.78Å; L367-L370 HydrophobicContact CD2-CD1 3.93Å; L367-L370 WeakPolarHBondContact O-CG 3.16Å; L367-L370 PolarHBondContact O-N 2.93Å; L367-V392 HydrophobicContact CD2-CG1 3.75Å; L367-V392 HydrophobicContact CD2-CG2 4.36Å; L367-V392 HydrophobicContact CG-CG1 3.9Å; L367-V392 HydrophobicContact CG-CG2 4.13Å; L367-F407 HydrophobicContact CD2-CZ 4.49Å; L367-V432 HydrophobicContact CB-CG1 4.18Å; L367-V432 HydrophobicContact CD2-CG1 4.25Å; L367-V432 VanDerWaalsContact O-CG1 3.28Å; L367-V432 WeakPolarHBondContact O-CG1 3.34Å; L367-S436 VanDerWaalsContact CB-OG 3.28Å; L367-S436 WeakPolarHBondContact CB-OG 3.21Å; L367-S436 WeakPolarHBondContact CD1-OG 3.1Å; L367-I439 HydrophobicContact CD1-CD1 3.82Å |
| 368 | G | 91 | Very high | 91 | Very high | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | R319 F320 H366 L370 | R319-G368 VanDerWaalsContact CB-O 3.28Å; R319-G368 WeakPolarHBondContact CB-O 3.25Å; R319-G368 VanDerWaalsContact CD-O 3.27Å; R319-G368 WeakPolarHBondContact CD-O 3.25Å; F320-G368 VanDerWaalsContact CE2-N 3.26Å; H366-G368 PolarHBondContact O-N 3.41Å; G368-L370 VanDerWaalsContact C-N 3.34Å |
| 369 | N | 93.1 | Very high | 90.5 | Very high | 33 Ų | 33 | 53 Ų | 53 | 18% | 0.176 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 7.6 | -178.9 | -70 | -2.3 | 0 | 0 | 0 | 113.7 | A317 Y318 R319 H366 L367 E371 V388 | A317-N369 PolarHBondContact O-ND2 2.95Å; A317-N369 PolarHBondContact O-OD1 2.98Å; Y318-N369 WeakPolarHBondContact CA-OD1 3.12Å; R319-N369 PolarHBondContact N-OD1 3.1Å; H366-N369 PolarHBondContact O-N 3.47Å; L367-N369 PolarHBondContact O-N 2.78Å; N369-E371 PolarHBondContact O-N 3.46Å; N369-E371 VanDerWaalsContact O-N 3.16Å; N369-V388 HydrophobicContact CB-CG1 3.86Å; N369-V388 HydrophobicContact CB-CG2 4.43Å |
| 370 | L | 92 | Very high | 90.2 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | trans | -73.3 | 103.2 | 173.2 | -66.7 | 173.3 | 0 | 0 | 0 | 110.2 | L367 G368 F372 L383 V388 A389 V432 | L367-L370 HydrophobicContact CD2-CD1 3.93Å; L367-L370 WeakPolarHBondContact O-CG 3.16Å; L367-L370 PolarHBondContact O-N 2.93Å; G368-L370 VanDerWaalsContact C-N 3.34Å; L370-F372 HydrophobicContact CB-CE2 3.63Å; L370-F372 HydrophobicContact CB-CZ 3.67Å; L370-F372 HydrophobicContact CD1-CZ 4.22Å; L370-F372 HydrophobicContact CG-CZ 4.49Å; L370-F372 WeakPolarHBondContact O-CD2 3.49Å; L370-F372 WeakPolarHBondContact O-CE2 3.28Å; L370-L383 HydrophobicContact CD2-CD1 4.34Å; L370-V388 HydrophobicContact CD2-CB 4.05Å; L370-V388 HydrophobicContact CD2-CG1 3.84Å; L370-V388 HydrophobicContact CG-CG1 4.25Å; L370-A389 HydrophobicContact CD2-CB 3.91Å; L370-V432 HydrophobicContact CD1-CG1 4.25Å; L370-V432 HydrophobicContact CD1-CG2 4.05Å | ||
| 371 | E | 90.4 | Very high | 90 | Very high | 151 Ų | 151 | 53.1 Ų | 53.1 | 71% | 0.706 | 25% | 0.252 | S | S | * | . | trans | -86.5 | 112.6 | 177 | -67.8 | -159.9 | 167.8 | 0 | 0 | 112.1 | N369 P384 | N369-E371 PolarHBondContact O-N 3.46Å; N369-E371 VanDerWaalsContact O-N 3.16Å; E371-P384 WeakPolarHBondContact O-CD 2.98Å | ||
| 372 | F | 91.1 | Very high | 89.8 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | trans | -96.2 | 139.2 | 174.6 | -57.8 | -75.1 | 0 | 0 | 0 | 111.8 | L370 T382 L383 L408 K425 V428 E429 V432 | L370-F372 HydrophobicContact CB-CE2 3.63Å; L370-F372 HydrophobicContact CB-CZ 3.67Å; L370-F372 HydrophobicContact CD1-CZ 4.22Å; L370-F372 HydrophobicContact CG-CZ 4.49Å; L370-F372 WeakPolarHBondContact O-CD2 3.49Å; L370-F372 WeakPolarHBondContact O-CE2 3.28Å; F372-T382 WeakPolarHBondContact CA-O 3.17Å; F372-L383 HydrophobicContact CD1-CB 4.37Å; F372-L383 HydrophobicContact CD1-CD1 4.24Å; F372-L383 HydrophobicContact CE1-CB 4.29Å; F372-L383 HydrophobicContact CE1-CD1 3.93Å; F372-L408 HydrophobicContact CD1-CD2 3.88Å; F372-L408 HydrophobicContact CE1-CD2 3.94Å; F372-K425 HydrophobicContact CB-CG 4.24Å; F372-K425 VanDerWaalsContact O-CD 3.29Å; F372-K425 WeakPolarHBondContact O-CD 3.39Å; F372-K425 VanDerWaalsContact O-CE 3.28Å; F372-K425 WeakPolarHBondContact O-CE 3.05Å; F372-K425 PolarHBondContact O-NZ 3.42Å; F372-V428 HydrophobicContact CD1-CB 4.45Å; F372-V428 HydrophobicContact CD1-CG1 3.78Å; F372-V428 HydrophobicContact CD2-CB 4.41Å; F372-V428 HydrophobicContact CD2-CG1 3.95Å; F372-V428 HydrophobicContact CE1-CG1 3.48Å; F372-V428 VanDerWaalsContact CE1-CG1 3.48Å; F372-V428 HydrophobicContact CE2-CG1 3.68Å; F372-V428 HydrophobicContact CG-CB 4.35Å; F372-V428 HydrophobicContact CG-CG1 4Å; F372-V428 HydrophobicContact CZ-CG1 3.42Å; F372-V428 VanDerWaalsContact CZ-CG1 3.42Å; F372-E429 HydrophobicContact CD2-CG 3.87Å; F372-V432 HydrophobicContact CE2-CG2 3.87Å; F372-V432 HydrophobicContact CZ-CG2 3.95Å | ||
| 373 | R | 89.4 | Confident | 89.5 | Confident | 178 Ų | 178 | 56.5 Ų | 56.5 | 67% | 0.672 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.4 | 176.5 | -165.7 | 177.2 | -160.7 | 162.1 | 7.5 | 110.1 | T382 P384 | R373-T382 PolarHBondContact N-O 3.34Å; R373-T382 PolarHBondContact O-N 2.87Å; R373-T382 PolarHBondContact O-OG1 2.74Å; R373-P384 HydrophobicContact CB-CG 3.7Å |
| 374 | Q | 89 | Confident | 89.2 | Confident | 93 Ų | 93 | 60.4 Ų | 60.4 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 126.7 | 174.3 | -173.1 | 166.8 | -19.2 | 0 | 0 | 109.7 | D379 K425 | Q374-D379 PolarHBondContact NE2-OD1 3.32Å; Q374-K425 HydrophobicContact CB-CB 4.16Å |
| 375 | E | 85.9 | Confident | 88.7 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | trans | -82.3 | 121.3 | 179.2 | -166.5 | -165.7 | -161.3 | 0 | 0 | 110.5 | S377 S378 D379 Q380 T382 | E375-S377 VanDerWaalsContact CG-OG 3.28Å; E375-S377 WeakPolarHBondContact CG-OG 3.11Å; E375-S377 PolarHBondContact O-N 3.42Å; E375-S377 PolarHBondContact OE1-OG 3.4Å; E375-S377 PolarHBondContact OE2-OG 2.91Å; E375-S378 PolarHBondContact O-N 2.69Å; E375-S378 WeakPolarHBondContact OE2-CB 3.35Å; E375-S378 PolarHBondContact OE2-OG 2.82Å; E375-D379 WeakPolarHBondContact O-CA 3.06Å; E375-D379 PolarHBondContact O-N 3.47Å; E375-Q380 PolarHBondContact N-O 2.98Å; E375-T382 HydrophobicContact CB-CG2 4.27Å | ||
| 376 | R | 82.7 | Confident | 88.5 | Confident | 252 Ų | 252 | 67.8 Ų | 67.8 | 95% | 0.951 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -13.4 | -173.5 | -70.1 | -175.1 | 175.3 | -175.7 | -2 | 115.5 | ||
| 377 | S | 81 | Confident | 88.3 | Confident | 98 Ų | 98 | 69.7 Ų | 69.7 | 69% | 0.685 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -18.9 | -179.2 | 44.1 | 0 | 0 | 0 | 0 | 113.5 | E375 | E375-S377 VanDerWaalsContact CG-OG 3.28Å; E375-S377 WeakPolarHBondContact CG-OG 3.11Å; E375-S377 PolarHBondContact O-N 3.42Å; E375-S377 PolarHBondContact OE1-OG 3.4Å; E375-S377 PolarHBondContact OE2-OG 2.91Å |
| 378 | S | 81.4 | Confident | 88.2 | Confident | 43 Ų | 43 | 70.5 Ų | 70.5 | 30% | 0.301 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.6 | -10.8 | -166.4 | 73.9 | 0 | 0 | 0 | 0 | 114.8 | E375 Q380 | E375-S378 PolarHBondContact O-N 2.69Å; E375-S378 WeakPolarHBondContact OE2-CB 3.35Å; E375-S378 PolarHBondContact OE2-OG 2.82Å; S378-Q380 PolarHBondContact O-N 3.37Å; S378-Q380 WeakPolarHBondContact OG-CB 3.42Å; S378-Q380 WeakPolarHBondContact OG-CG 3.34Å; S378-Q380 PolarHBondContact OG-N 2.96Å |
| 379 | D | 83.6 | Confident | 88.3 | Confident | 93 Ų | 93 | 70.3 Ų | 70.3 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | trans | 55 | 10.2 | -168.7 | -72.2 | -39.9 | 0 | 0 | 0 | 115.5 | Q374 E375 | Q374-D379 PolarHBondContact NE2-OD1 3.32Å; E375-D379 WeakPolarHBondContact O-CA 3.06Å; E375-D379 PolarHBondContact O-N 3.47Å | ||
| 380 | Q | 87.7 | Confident | 88.3 | Confident | 61 Ų | 61 | 73.7 Ų | 73.7 | 29% | 0.285 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -74.6 | 151.2 | 177.2 | -61.9 | 175.2 | 32.3 | 0 | 0 | 111.3 | E375 S378 A422 | E375-Q380 PolarHBondContact N-O 2.98Å; S378-Q380 PolarHBondContact O-N 3.37Å; S378-Q380 WeakPolarHBondContact OG-CB 3.42Å; S378-Q380 WeakPolarHBondContact OG-CG 3.34Å; S378-Q380 PolarHBondContact OG-N 2.96Å; Q380-A422 HydrophobicContact CB-CB 4.45Å; Q380-A422 HydrophobicContact CG-CB 3.72Å; Q380-A422 VanDerWaalsContact OE1-CB 3.23Å |
| 381 | A | 90.4 | Very high | 88.3 | Confident | 6 Ų | 6 | 76.5 Ų | 76.5 | 5% | 0.05 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 135.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L408 Q423 V428 | A381-L408 HydrophobicContact CB-CD2 3.79Å; A381-Q423 WeakPolarHBondContact CB-O 3.02Å; A381-Q423 PolarHBondContact N-O 2.84Å; A381-V428 HydrophobicContact CB-CB 4.16Å; A381-V428 HydrophobicContact CB-CG2 3.48Å; A381-V428 VanDerWaalsContact CB-CG2 3.48Å |
| 382 | T | 90.3 | Very high | 88.5 | Confident | 52 Ų | 52 | 69.3 Ų | 69.3 | 32% | 0.319 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 147.9 | 166.1 | 57.1 | 0 | 0 | 0 | 0 | 109 | F372 R373 E375 P384 | F372-T382 WeakPolarHBondContact CA-O 3.17Å; R373-T382 PolarHBondContact N-O 3.34Å; R373-T382 PolarHBondContact O-N 2.87Å; R373-T382 PolarHBondContact O-OG1 2.74Å; E375-T382 HydrophobicContact CB-CG2 4.27Å; T382-P384 WeakPolarHBondContact O-CD 2.95Å |
| 383 | L | 90.1 | Very high | 88.6 | Confident | 18 Ų | 18 | 69.8 Ų | 69.8 | 9% | 0.094 | 35% | 0.348 | C | S | . | . | trans | -101.8 | 107.3 | 172.3 | 178.5 | 66.9 | 0 | 0 | 0 | 107.6 | L370 F372 D385 A389 V404 L408 | L370-L383 HydrophobicContact CD2-CD1 4.34Å; F372-L383 HydrophobicContact CD1-CB 4.37Å; F372-L383 HydrophobicContact CD1-CD1 4.24Å; F372-L383 HydrophobicContact CE1-CB 4.29Å; F372-L383 HydrophobicContact CE1-CD1 3.93Å; L383-D385 WeakPolarHBondContact CD1-O 3.46Å; L383-D385 VanDerWaalsContact CG-O 3.3Å; L383-D385 WeakPolarHBondContact CG-O 3.29Å; L383-A389 HydrophobicContact CD2-CB 3.9Å; L383-V404 HydrophobicContact CD2-CG1 4.24Å; L383-V404 HydrophobicContact CD2-CG2 3.9Å; L383-L408 HydrophobicContact CB-CD1 4.27Å | ||
| 384 | P | 86.7 | Confident | 88.8 | Confident | 82 Ų | 82 | 68 Ų | 68 | 53% | 0.532 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -78.5 | -26.6 | -174.7 | -16.2 | 32.7 | 0 | 0 | 0 | 114 | E371 R373 T382 | E371-P384 WeakPolarHBondContact O-CD 2.98Å; R373-P384 HydrophobicContact CB-CG 3.7Å; T382-P384 WeakPolarHBondContact O-CD 2.95Å |
| 385 | D | 86.3 | Confident | 89 | Confident | 83 Ų | 83 | 63.6 Ų | 63.6 | 44% | 0.444 | 33% | 0.326 | S | S | . | . | trans | -122.8 | 126.6 | 175.5 | 176.7 | 32.9 | 0 | 0 | 0 | 110.6 | L383 S387 | L383-D385 WeakPolarHBondContact CD1-O 3.46Å; L383-D385 VanDerWaalsContact CG-O 3.3Å; L383-D385 WeakPolarHBondContact CG-O 3.29Å; D385-S387 VanDerWaalsContact OD1-CB 3.29Å; D385-S387 WeakPolarHBondContact OD1-CB 3.43Å; D385-S387 PolarHBondContact OD1-N 3.02Å; D385-S387 PolarHBondContact OD1-OG 2.73Å; D385-S387 WeakPolarHBondContact OD2-CB 3.3Å; D385-S387 PolarHBondContact OD2-OG 2.7Å | ||
| 386 | H | 89 | Confident | 89.4 | Confident | 76 Ų | 76 | 59.9 Ų | 59.9 | 35% | 0.352 | 31% | 0.309 | S | S | . | . | trans | -88.4 | -13.5 | 176.3 | -73.6 | -116.5 | 0 | 0 | 0 | 112.7 | V388 A389 E390 | H386-V388 VanDerWaalsContact C-N 3.26Å; H386-V388 PolarHBondContact O-N 2.63Å; H386-A389 CarbonylContact O-C 3.58Å; H386-A389 WeakPolarHBondContact O-CA 3.08Å; H386-A389 WeakPolarHBondContact O-CB 3.31Å; H386-A389 PolarHBondContact O-N 2.97Å; H386-E390 WeakPolarHBondContact O-CG 2.9Å; H386-E390 PolarHBondContact O-N 3.39Å | ||
| 387 | S | 90.8 | Very high | 89.9 | Confident | 42 Ų | 42 | 48.8 Ų | 48.8 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.4 | -28.9 | -172.1 | 87.8 | 0 | 0 | 0 | 0 | 114.1 | D385 K391 | D385-S387 VanDerWaalsContact OD1-CB 3.29Å; D385-S387 WeakPolarHBondContact OD1-CB 3.43Å; D385-S387 PolarHBondContact OD1-N 3.02Å; D385-S387 PolarHBondContact OD1-OG 2.73Å; D385-S387 WeakPolarHBondContact OD2-CB 3.3Å; D385-S387 PolarHBondContact OD2-OG 2.7Å; S387-K391 WeakPolarHBondContact O-CD 2.92Å; S387-K391 VanDerWaalsContact O-CE 3.28Å; S387-K391 WeakPolarHBondContact O-CE 3.4Å; S387-K391 VanDerWaalsContact O-CG 3.29Å; S387-K391 WeakPolarHBondContact O-CG 3.19Å |
| 388 | V | 91.5 | Very high | 90.4 | Very high | 19 Ų | 19 | 44.4 Ų | 44.4 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -78 | -40.5 | 173.4 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | H366 N369 L370 H386 E390 K391 V392 | H366-V388 WeakPolarHBondContact O-CG1 2.77Å; N369-V388 HydrophobicContact CB-CG1 3.86Å; N369-V388 HydrophobicContact CB-CG2 4.43Å; L370-V388 HydrophobicContact CD2-CB 4.05Å; L370-V388 HydrophobicContact CD2-CG1 3.84Å; L370-V388 HydrophobicContact CG-CG1 4.25Å; H386-V388 VanDerWaalsContact C-N 3.26Å; H386-V388 PolarHBondContact O-N 2.63Å; V388-E390 VanDerWaalsContact C-N 3.31Å; V388-E390 PolarHBondContact O-N 2.75Å; V388-K391 PolarHBondContact O-N 3.21Å; V388-V392 PolarHBondContact O-N 2.67Å; V388-V392 VanDerWaalsContact O-N 3.15Å |
| 389 | A | 91.4 | Very high | 91 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.1 | -34.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L370 L383 H386 V392 S393 L400 M403 V404 | L370-A389 HydrophobicContact CD2-CB 3.91Å; L383-A389 HydrophobicContact CD2-CB 3.9Å; H386-A389 CarbonylContact O-C 3.58Å; H386-A389 WeakPolarHBondContact O-CA 3.08Å; H386-A389 WeakPolarHBondContact O-CB 3.31Å; H386-A389 PolarHBondContact O-N 2.97Å; A389-V392 PolarHBondContact O-N 2.91Å; A389-S393 WeakPolarHBondContact O-CB 3.15Å; A389-S393 PolarHBondContact O-N 2.67Å; A389-L400 HydrophobicContact CB-CD1 3.65Å; A389-M403 HydrophobicContact CB-CE 3.64Å; A389-M403 WeakPolarHBondContact O-CE 3.39Å; A389-V404 HydrophobicContact CB-CG2 4.18Å |
| 390 | E | 93.3 | Very high | 91.3 | Very high | 104 Ų | 104 | 42.7 Ų | 42.7 | 49% | 0.486 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 172.1 | -77.5 | 169.1 | -172.8 | 0 | 0 | 112.2 | H386 V388 S393 H394 L400 | H386-E390 WeakPolarHBondContact O-CG 2.9Å; H386-E390 PolarHBondContact O-N 3.39Å; V388-E390 VanDerWaalsContact C-N 3.31Å; V388-E390 PolarHBondContact O-N 2.75Å; E390-S393 PolarHBondContact O-N 3.04Å; E390-H394 WeakPolarHBondContact O-CB 2.92Å; E390-H394 PolarHBondContact O-N 2.86Å; E390-L400 HydrophobicContact CG-CD1 4.13Å; E390-L400 HydrophobicContact CG-CD2 3.64Å; E390-L400 HydrophobicContact CG-CG 4.5Å |
| 391 | K | 93.4 | Very high | 91.5 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 28% | 0.283 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 177.9 | -62 | 165.5 | -169.7 | 165.1 | 0 | 111.2 | L311 S387 V388 H394 L395 | L311-K391 HydrophobicContact CD1-CB 4.02Å; L311-K391 HydrophobicContact CD1-CG 4.05Å; S387-K391 WeakPolarHBondContact O-CD 2.92Å; S387-K391 VanDerWaalsContact O-CE 3.28Å; S387-K391 WeakPolarHBondContact O-CE 3.4Å; S387-K391 VanDerWaalsContact O-CG 3.29Å; S387-K391 WeakPolarHBondContact O-CG 3.19Å; V388-K391 PolarHBondContact O-N 3.21Å; K391-H394 PolarHBondContact O-N 2.79Å; K391-L395 WeakPolarHBondContact O-CB 3.08Å; K391-L395 WeakPolarHBondContact O-CD1 3.45Å; K391-L395 VanDerWaalsContact O-CG 3.26Å; K391-L395 WeakPolarHBondContact O-CG 3.41Å; K391-L395 PolarHBondContact O-N 3.49Å |
| 392 | V | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | H366 L367 V388 A389 H394 L395 L396 M403 | H366-V392 HydrophobicContact CB-CG2 3.62Å; L367-V392 HydrophobicContact CD2-CG1 3.75Å; L367-V392 HydrophobicContact CD2-CG2 4.36Å; L367-V392 HydrophobicContact CG-CG1 3.9Å; L367-V392 HydrophobicContact CG-CG2 4.13Å; V388-V392 PolarHBondContact O-N 2.67Å; V388-V392 VanDerWaalsContact O-N 3.15Å; A389-V392 PolarHBondContact O-N 2.91Å; V392-H394 VanDerWaalsContact C-N 3.34Å; V392-H394 PolarHBondContact O-N 2.95Å; V392-L395 PolarHBondContact O-N 3.35Å; V392-L396 HydrophobicContact CG1-CD1 3.77Å; V392-L396 HydrophobicContact CG1-CG 4.49Å; V392-L396 WeakPolarHBondContact O-CB 3.23Å; V392-L396 PolarHBondContact O-N 2.91Å; V392-M403 HydrophobicContact CB-CE 4.41Å; V392-M403 HydrophobicContact CB-SD 4.39Å; V392-M403 HydrophobicContact CG1-CE 4.37Å; V392-M403 HydrophobicContact CG1-SD 3.79Å |
| 393 | S | 93 | Very high | 91.6 | Very high | 18 Ų | 18 | 46.8 Ų | 46.8 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.8 | -45.4 | 176.9 | 166.6 | 0 | 0 | 0 | 0 | 111.8 | A389 E390 G397 I398 L400 | A389-S393 WeakPolarHBondContact O-CB 3.15Å; A389-S393 PolarHBondContact O-N 2.67Å; E390-S393 PolarHBondContact O-N 3.04Å; S393-G397 PolarHBondContact O-N 2.93Å; S393-G397 VanDerWaalsContact O-N 3.11Å; S393-I398 WeakPolarHBondContact CB-O 3.47Å; S393-I398 PolarHBondContact O-N 2.83Å; S393-I398 VanDerWaalsContact O-N 3.09Å; S393-I398 PolarHBondContact OG-O 3.05Å; S393-L400 PolarHBondContact OG-N 2.95Å |
| 394 | H | 93 | Very high | 91.6 | Very high | 139 Ų | 139 | 46.9 Ų | 46.9 | 64% | 0.644 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -65.9 | -49 | 176.8 | -177 | 66.1 | 0 | 0 | 0 | 112.6 | E390 K391 V392 L396 G397 | E390-H394 WeakPolarHBondContact O-CB 2.92Å; E390-H394 PolarHBondContact O-N 2.86Å; K391-H394 PolarHBondContact O-N 2.79Å; V392-H394 VanDerWaalsContact C-N 3.34Å; V392-H394 PolarHBondContact O-N 2.95Å; H394-L396 VanDerWaalsContact C-N 3.33Å; H394-L396 PolarHBondContact O-N 3.01Å; H394-G397 PolarHBondContact O-N 2.64Å |
| 395 | L | 93.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.7 | -28.6 | -177 | -71.4 | 166.8 | 0 | 0 | 0 | 113.7 | L311 R359 A363 K391 V392 | L311-L395 HydrophobicContact CD1-CD1 4.34Å; L311-L395 HydrophobicContact CD1-CD2 4.47Å; L311-L395 HydrophobicContact CD1-CG 4.22Å; R359-L395 HydrophobicContact CB-CD2 4.41Å; R359-L395 HydrophobicContact CG-CD2 4.27Å; A363-L395 HydrophobicContact CB-CB 3.99Å; K391-L395 WeakPolarHBondContact O-CB 3.08Å; K391-L395 WeakPolarHBondContact O-CD1 3.45Å; K391-L395 VanDerWaalsContact O-CG 3.26Å; K391-L395 WeakPolarHBondContact O-CG 3.41Å; K391-L395 PolarHBondContact O-N 3.49Å; V392-L395 PolarHBondContact O-N 3.35Å |
| 396 | L | 94 | Very high | 92 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -99 | -1.7 | 178.7 | -64.8 | 177.6 | 0 | 0 | 0 | 114.1 | A363 V392 H394 I398 I439 L614 S617 V622 | A363-L396 HydrophobicContact CB-CD1 4.09Å; A363-L396 HydrophobicContact CB-CD2 3.53Å; A363-L396 HydrophobicContact CB-CG 3.59Å; V392-L396 HydrophobicContact CG1-CD1 3.77Å; V392-L396 HydrophobicContact CG1-CG 4.49Å; V392-L396 WeakPolarHBondContact O-CB 3.23Å; V392-L396 PolarHBondContact O-N 2.91Å; H394-L396 VanDerWaalsContact C-N 3.33Å; H394-L396 PolarHBondContact O-N 3.01Å; L396-I398 VanDerWaalsContact C-N 3.32Å; L396-I398 HydrophobicContact CB-CD1 4.11Å; L396-I398 HydrophobicContact CB-CG1 4.08Å; L396-I398 HydrophobicContact CD1-CD1 4.22Å; L396-I398 PolarHBondContact O-N 2.99Å; L396-I439 HydrophobicContact CD1-CD1 4.15Å; L396-L614 HydrophobicContact CB-CD2 4.47Å; L396-L614 HydrophobicContact CD1-CD2 4.19Å; L396-S617 PolarHBondContact O-OG 3.3Å; L396-V622 HydrophobicContact CD2-CG2 4.44Å |
| 397 | G | 92.8 | Very high | 92.1 | Very high | 18 Ų | 18 | 40.4 Ų | 40.4 | 19% | 0.186 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 20.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S393 H394 N618 | S393-G397 PolarHBondContact O-N 2.93Å; S393-G397 VanDerWaalsContact O-N 3.11Å; H394-G397 PolarHBondContact O-N 2.64Å; G397-N618 WeakPolarHBondContact O-CB 3.3Å; G397-N618 PolarHBondContact O-N 2.82Å; G397-N618 PolarHBondContact O-ND2 2.75Å |
| 398 | I | 93.3 | Very high | 92.2 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | trans | -109.3 | 146.2 | -173.2 | 59.1 | -177.8 | 0 | 0 | 0 | 112.6 | S393 L396 L400 M403 L613 L614 | S393-I398 WeakPolarHBondContact CB-O 3.47Å; S393-I398 PolarHBondContact O-N 2.83Å; S393-I398 VanDerWaalsContact O-N 3.09Å; S393-I398 PolarHBondContact OG-O 3.05Å; L396-I398 VanDerWaalsContact C-N 3.32Å; L396-I398 HydrophobicContact CB-CD1 4.11Å; L396-I398 HydrophobicContact CB-CG1 4.08Å; L396-I398 HydrophobicContact CD1-CD1 4.22Å; L396-I398 PolarHBondContact O-N 2.99Å; I398-L400 PolarHBondContact O-N 2.66Å; I398-M403 HydrophobicContact CD1-CB 4.29Å; I398-M403 HydrophobicContact CD1-CG 3.89Å; I398-M403 HydrophobicContact CD1-SD 3.68Å; I398-M403 HydrophobicContact CG1-SD 4.28Å; I398-L613 VanDerWaalsContact CG2-O 3.31Å; I398-L613 WeakPolarHBondContact CG2-O 3.46Å; I398-L614 HydrophobicContact CD1-CD2 4.24Å; I398-L614 HydrophobicContact CG2-CD2 4.17Å | ||
| 399 | P | 92.9 | Very high | 92.1 | Very high | 66 Ų | 66 | 43.3 Ų | 43.3 | 43% | 0.429 | 22% | 0.218 | S | C | . | . | trans | -68.5 | 124.2 | -178.5 | -20.2 | 33 | 0 | 0 | 0 | 113.7 | N401 E402 M403 | P399-N401 PolarHBondContact O-N 2.85Å; P399-E402 PolarHBondContact O-N 3.12Å; P399-M403 PolarHBondContact O-N 3.33Å | ||
| 400 | L | 91 | Very high | 91.9 | Very high | 34 Ų | 34 | 43.5 Ų | 43.5 | 18% | 0.178 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -48.2 | -52.7 | -178.2 | 177.7 | 67.8 | 0 | 0 | 0 | 113.9 | A389 E390 S393 I398 E402 M403 V404 | A389-L400 HydrophobicContact CB-CD1 3.65Å; E390-L400 HydrophobicContact CG-CD1 4.13Å; E390-L400 HydrophobicContact CG-CD2 3.64Å; E390-L400 HydrophobicContact CG-CG 4.5Å; S393-L400 PolarHBondContact OG-N 2.95Å; I398-L400 PolarHBondContact O-N 2.66Å; L400-E402 VanDerWaalsContact C-N 3.35Å; L400-E402 PolarHBondContact O-N 3.02Å; L400-M403 PolarHBondContact O-N 2.66Å; L400-V404 HydrophobicContact CD1-CG2 4.06Å; L400-V404 WeakPolarHBondContact O-CG2 3.34Å; L400-V404 PolarHBondContact O-N 2.65Å |
| 401 | N | 91 | Very high | 91.5 | Very high | 123 Ų | 123 | 44.8 Ų | 44.8 | 66% | 0.658 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -64.5 | -39.1 | -173.4 | -71.7 | -18.1 | 0 | 0 | 0 | 112.2 | P399 K405 | P399-N401 PolarHBondContact O-N 2.85Å; N401-K405 WeakPolarHBondContact O-CB 3.37Å; N401-K405 PolarHBondContact O-N 2.66Å; N401-K405 VanDerWaalsContact O-N 3.07Å |
| 402 | E | 90.2 | Very high | 90.8 | Very high | 80 Ų | 80 | 44.7 Ų | 44.7 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -74.3 | -34.4 | 175.8 | -66.7 | -59.3 | 140 | 0 | 0 | 111.5 | P399 L400 K405 A406 L613 | P399-E402 PolarHBondContact O-N 3.12Å; L400-E402 VanDerWaalsContact C-N 3.35Å; L400-E402 PolarHBondContact O-N 3.02Å; E402-K405 PolarHBondContact O-N 3.32Å; E402-K405 IonicContact OE1-NZ 3Å; E402-K405 PolarHBondContact OE1-NZ 2.86Å; E402-K405 IonicContact OE2-NZ 3.27Å; E402-K405 PolarHBondContact OE2-NZ 2.76Å; E402-A406 WeakPolarHBondContact O-CB 3.25Å; E402-A406 PolarHBondContact O-N 2.74Å; E402-L613 HydrophobicContact CB-CD1 4Å; E402-L613 HydrophobicContact CB-CD2 3.82Å; E402-L613 WeakPolarHBondContact O-CD1 3.3Å |
| 403 | M | 91.6 | Very high | 89.8 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.2 | -51 | 172.9 | -171.6 | -169.2 | 78.7 | 0 | 0 | 111.9 | A389 V392 I398 P399 L400 K405 A406 F407 | A389-M403 HydrophobicContact CB-CE 3.64Å; A389-M403 WeakPolarHBondContact O-CE 3.39Å; V392-M403 HydrophobicContact CB-CE 4.41Å; V392-M403 HydrophobicContact CB-SD 4.39Å; V392-M403 HydrophobicContact CG1-CE 4.37Å; V392-M403 HydrophobicContact CG1-SD 3.79Å; I398-M403 HydrophobicContact CD1-CB 4.29Å; I398-M403 HydrophobicContact CD1-CG 3.89Å; I398-M403 HydrophobicContact CD1-SD 3.68Å; I398-M403 HydrophobicContact CG1-SD 4.28Å; P399-M403 PolarHBondContact O-N 3.33Å; L400-M403 PolarHBondContact O-N 2.66Å; M403-K405 VanDerWaalsContact C-N 3.33Å; M403-K405 PolarHBondContact O-N 3.01Å; M403-A406 PolarHBondContact O-N 2.91Å; M403-F407 HydrophobicContact CG-CD2 3.96Å; M403-F407 HydrophobicContact CG-CE2 3.82Å; M403-F407 VanDerWaalsContact O-CD2 3.29Å; M403-F407 WeakPolarHBondContact O-CD2 3.03Å; M403-F407 PolarHBondContact O-N 2.8Å; M403-F407 HydrophobicContact SD-CE2 4.43Å |
| 404 | V | 91.6 | Very high | 88.9 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 12% | 0.115 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -41.3 | 179.3 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | L383 A389 L400 F407 L408 | L383-V404 HydrophobicContact CD2-CG1 4.24Å; L383-V404 HydrophobicContact CD2-CG2 3.9Å; A389-V404 HydrophobicContact CB-CG2 4.18Å; L400-V404 HydrophobicContact CD1-CG2 4.06Å; L400-V404 WeakPolarHBondContact O-CG2 3.34Å; L400-V404 PolarHBondContact O-N 2.65Å; V404-F407 PolarHBondContact O-N 2.62Å; V404-L408 HydrophobicContact CG1-CD1 3.73Å; V404-L408 HydrophobicContact CG1-CG 4.24Å; V404-L408 WeakPolarHBondContact O-CB 2.8Å; V404-L408 WeakPolarHBondContact O-CG 3.17Å; V404-L408 PolarHBondContact O-N 3.26Å |
| 405 | K | 91.5 | Very high | 87.8 | Confident | 95 Ų | 95 | 46.9 Ų | 46.9 | 41% | 0.413 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 175.8 | 177 | 178.6 | 162.1 | -143.5 | 0 | 112.5 | N401 E402 M403 F407 K409 | N401-K405 WeakPolarHBondContact O-CB 3.37Å; N401-K405 PolarHBondContact O-N 2.66Å; N401-K405 VanDerWaalsContact O-N 3.07Å; E402-K405 PolarHBondContact O-N 3.32Å; E402-K405 IonicContact OE1-NZ 3Å; E402-K405 PolarHBondContact OE1-NZ 2.86Å; E402-K405 IonicContact OE2-NZ 3.27Å; E402-K405 PolarHBondContact OE2-NZ 2.76Å; M403-K405 VanDerWaalsContact C-N 3.33Å; M403-K405 PolarHBondContact O-N 3.01Å; K405-F407 PolarHBondContact O-N 2.9Å; K405-K409 CarbonylContact O-C 3.56Å; K405-K409 VanDerWaalsContact O-CA 3.32Å; K405-K409 WeakPolarHBondContact O-CA 3.03Å; K405-K409 PolarHBondContact O-N 3.03Å |
| 406 | A | 89.9 | Confident | 86.8 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.9 | -38 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E402 M403 P410 N607 N609 V610 L613 | E402-A406 WeakPolarHBondContact O-CB 3.25Å; E402-A406 PolarHBondContact O-N 2.74Å; M403-A406 PolarHBondContact O-N 2.91Å; A406-P410 WeakPolarHBondContact O-CB 3.4Å; A406-P410 WeakPolarHBondContact O-CD 3.42Å; A406-N607 PolarHBondContact O-ND2 2.97Å; A406-N609 HydrophobicContact CB-CB 3.68Å; A406-V610 HydrophobicContact CB-CG2 3.73Å; A406-L613 HydrophobicContact CB-CD1 3.79Å |
| 407 | F | 91.4 | Very high | 86 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.9 | -50.4 | 174.6 | -80 | -62.5 | 0 | 0 | 0 | 113.1 | L367 M403 V404 K405 V428 A431 V432 I435 V610 | L367-F407 HydrophobicContact CD2-CZ 4.49Å; M403-F407 HydrophobicContact CG-CD2 3.96Å; M403-F407 HydrophobicContact CG-CE2 3.82Å; M403-F407 VanDerWaalsContact O-CD2 3.29Å; M403-F407 WeakPolarHBondContact O-CD2 3.03Å; M403-F407 PolarHBondContact O-N 2.8Å; M403-F407 HydrophobicContact SD-CE2 4.43Å; V404-F407 PolarHBondContact O-N 2.62Å; K405-F407 PolarHBondContact O-N 2.9Å; F407-V428 HydrophobicContact CB-CG1 4.07Å; F407-A431 HydrophobicContact CD1-CB 4.14Å; F407-A431 HydrophobicContact CE1-CB 4.32Å; F407-V432 HydrophobicContact CD1-CG2 3.74Å; F407-V432 HydrophobicContact CE1-CB 4.36Å; F407-V432 HydrophobicContact CE1-CG2 3.58Å; F407-V432 HydrophobicContact CE2-CG2 4.44Å; F407-V432 HydrophobicContact CG-CG2 4.27Å; F407-V432 HydrophobicContact CZ-CG2 3.96Å; F407-I435 HydrophobicContact CE1-CG1 4.26Å; F407-I435 HydrophobicContact CZ-CB 4.47Å; F407-I435 HydrophobicContact CZ-CG1 4.38Å; F407-V610 HydrophobicContact CD1-CG2 4.14Å; F407-V610 HydrophobicContact CD2-CG2 4.33Å; F407-V610 HydrophobicContact CE1-CG2 3.94Å; F407-V610 HydrophobicContact CE2-CG1 4.34Å; F407-V610 HydrophobicContact CE2-CG2 4.15Å; F407-V610 HydrophobicContact CG-CG2 4.32Å; F407-V610 HydrophobicContact CZ-CG1 3.99Å; F407-V610 HydrophobicContact CZ-CG2 3.95Å |
| 408 | L | 91.7 | Very high | 85.5 | Confident | 23 Ų | 23 | 64.1 Ų | 64.1 | 12% | 0.12 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -79.6 | -36.6 | -173.5 | -61.4 | -177.4 | 0 | 0 | 0 | 113.9 | F372 A381 L383 V404 A422 Q423 V428 | F372-L408 HydrophobicContact CD1-CD2 3.88Å; F372-L408 HydrophobicContact CE1-CD2 3.94Å; A381-L408 HydrophobicContact CB-CD2 3.79Å; L383-L408 HydrophobicContact CB-CD1 4.27Å; V404-L408 HydrophobicContact CG1-CD1 3.73Å; V404-L408 HydrophobicContact CG1-CG 4.24Å; V404-L408 WeakPolarHBondContact O-CB 2.8Å; V404-L408 WeakPolarHBondContact O-CG 3.17Å; V404-L408 PolarHBondContact O-N 3.26Å; L408-A422 WeakPolarHBondContact O-CA 3.17Å; L408-Q423 PolarHBondContact O-N 2.75Å; L408-V428 HydrophobicContact CD2-CG1 4.19Å; L408-V428 HydrophobicContact CD2-CG2 4.14Å |
| 409 | K | 89.9 | Confident | 84.9 | Confident | 98 Ų | 98 | 67.3 Ų | 67.3 | 43% | 0.426 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -140 | 55.1 | -172.4 | -60.2 | -169.1 | 175.2 | -175.1 | 0 | 112.2 | K405 S420 A422 | K405-K409 CarbonylContact O-C 3.56Å; K405-K409 VanDerWaalsContact O-CA 3.32Å; K405-K409 WeakPolarHBondContact O-CA 3.03Å; K405-K409 PolarHBondContact O-N 3.03Å; K409-S420 PolarHBondContact O-OG 2.8Å; K409-A422 HydrophobicContact CD-CB 4.46Å; K409-A422 HydrophobicContact CG-CB 4.12Å |
| 410 | P | 86.9 | Confident | 84.6 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 3% | 0.032 | 36% | 0.355 | C | S | . | . | trans | -53 | 145.1 | 178.1 | 22.7 | -33.6 | 0 | 0 | 0 | 112.2 | A406 I412 K421 Q423 N609 | A406-P410 WeakPolarHBondContact O-CB 3.4Å; A406-P410 WeakPolarHBondContact O-CD 3.42Å; P410-I412 HydrophobicContact CB-CG1 4.41Å; P410-K421 WeakPolarHBondContact CD-O 3.46Å; P410-K421 PolarHBondContact O-N 3.19Å; P410-Q423 HydrophobicContact CG-CG 3.86Å; P410-N609 WeakPolarHBondContact CB-ND2 3.02Å | ||
| 411 | R | 84.2 | Confident | 84.3 | Confident | 131 Ų | 131 | 71.2 Ų | 71.2 | 49% | 0.494 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 112.2 | 170.3 | -57.8 | 179.8 | 71 | -167.4 | 1.8 | 107.4 | N609 | R411-N609 PolarHBondContact N-ND2 2.72Å; R411-N609 PolarHBondContact N-OD1 2.68Å; R411-N609 PolarHBondContact O-ND2 2.88Å; R411-N609 PolarHBondContact O-OD1 3.41Å |
| 412 | I | 80 | Confident | 84.2 | Confident | 63 Ų | 63 | 66.9 Ų | 66.9 | 32% | 0.323 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.2 | -176.9 | -55.5 | 176.1 | 0 | 0 | 0 | 107.5 | P410 V414 V419 K421 | P410-I412 HydrophobicContact CB-CG1 4.41Å; I412-V414 HydrophobicContact CG2-CG2 4.16Å; I412-V414 PolarHBondContact O-N 3.3Å; I412-V419 PolarHBondContact N-O 3.37Å; I412-V419 PolarHBondContact O-N 3.34Å; I412-K421 HydrophobicContact CD1-CB 4.18Å; I412-K421 HydrophobicContact CD1-CD 4.43Å |
| 413 | K | 73.2 | Confident | 84.1 | Confident | 54 Ų | 54 | 64.5 Ų | 64.5 | 24% | 0.235 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 114.8 | 172.9 | -168.6 | -173 | -178 | -172.7 | 0 | 108.7 | G415 D417 L418 T638 T639 | K413-G415 WeakPolarHBondContact CE-O 3.3Å; K413-D417 CarbonylContact C-O 3.53Å; K413-D417 VanDerWaalsContact CA-O 3.3Å; K413-D417 WeakPolarHBondContact CA-O 2.99Å; K413-L418 HydrophobicContact CB-CD2 4.18Å; K413-T638 PolarHBondContact NZ-OG1 2.85Å; K413-T639 PolarHBondContact NZ-OG1 3.33Å |
| 414 | V | 72.3 | Confident | 84 | Confident | 88 Ų | 88 | 66.4 Ų | 66.4 | 53% | 0.533 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 102.6 | 177.9 | -176.6 | 0 | 0 | 0 | 0 | 107.2 | I412 K416 D417 V419 | I412-V414 HydrophobicContact CG2-CG2 4.16Å; I412-V414 PolarHBondContact O-N 3.3Å; V414-K416 PolarHBondContact O-N 3.42Å; V414-K416 VanDerWaalsContact O-N 3.17Å; V414-D417 PolarHBondContact N-O 2.86Å; V414-D417 PolarHBondContact O-N 3.26Å; V414-D417 VanDerWaalsContact O-N 3.12Å; V414-V419 HydrophobicContact CB-CG2 4.23Å; V414-V419 HydrophobicContact CG2-CB 4.34Å; V414-V419 HydrophobicContact CG2-CG2 4.06Å |
| 415 | G | 70.3 | Confident | 84 | Confident | 61 Ų | 61 | 68.5 Ų | 68.5 | 63% | 0.629 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -112.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K413 | K413-G415 WeakPolarHBondContact CE-O 3.3Š|
| 416 | K | 73.8 | Confident | 83.8 | Confident | 169 Ų | 169 | 68.6 Ų | 68.6 | 74% | 0.735 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -17.1 | 175.4 | -66.9 | -176.5 | 178.7 | 179.1 | 0 | 113.1 | V414 D916 | V414-K416 PolarHBondContact O-N 3.42Å; V414-K416 VanDerWaalsContact O-N 3.17Å; K416-D916 IonicContact NZ-OD2 2.71Å |
| 417 | D | 77.4 | Confident | 83.6 | Confident | 118 Ų | 118 | 71.8 Ų | 71.8 | 63% | 0.631 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 151 | -170.8 | -67.4 | -53.8 | 0 | 0 | 0 | 114.4 | K413 V414 | K413-D417 CarbonylContact C-O 3.53Å; K413-D417 VanDerWaalsContact CA-O 3.3Å; K413-D417 WeakPolarHBondContact CA-O 2.99Å; V414-D417 PolarHBondContact N-O 2.86Å; V414-D417 PolarHBondContact O-N 3.26Å; V414-D417 VanDerWaalsContact O-N 3.12Å |
| 418 | L | 80.6 | Confident | 83.5 | Confident | 100 Ų | 100 | 71.5 Ų | 71.5 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 87.8 | 179.3 | -81.4 | 164.8 | 0 | 0 | 0 | 111.9 | K413 | K413-L418 HydrophobicContact CB-CD2 4.18Å |
| 419 | V | 82.4 | Confident | 83.5 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 44% | 0.436 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 120.8 | -178.1 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | I412 V414 K421 | I412-V419 PolarHBondContact N-O 3.37Å; I412-V419 PolarHBondContact O-N 3.34Å; V414-V419 HydrophobicContact CB-CG2 4.23Å; V414-V419 HydrophobicContact CG2-CB 4.34Å; V414-V419 HydrophobicContact CG2-CG2 4.06Å; V419-K421 PolarHBondContact O-N 2.76Å |
| 420 | S | 86.4 | Confident | 83.3 | Confident | 75 Ų | 75 | 69.3 Ų | 69.3 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 111 | 170.2 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | K409 | K409-S420 PolarHBondContact O-OG 2.8Å |
| 421 | K | 84.9 | Confident | 83.3 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 47% | 0.47 | 37% | 0.374 | S | S | . | . | trans | -110.7 | 117.6 | -177.6 | -177.1 | 178.6 | 177.4 | -177.7 | 0 | 110.7 | P410 I412 V419 Q423 | P410-K421 WeakPolarHBondContact CD-O 3.46Å; P410-K421 PolarHBondContact O-N 3.19Å; I412-K421 HydrophobicContact CD1-CB 4.18Å; I412-K421 HydrophobicContact CD1-CD 4.43Å; V419-K421 PolarHBondContact O-N 2.76Å; K421-Q423 PolarHBondContact O-NE2 2.9Å | ||
| 422 | A | 88.1 | Confident | 83.6 | Confident | 32 Ų | 32 | 63.8 Ų | 63.8 | 26% | 0.264 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 135.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q380 L408 K409 | Q380-A422 HydrophobicContact CB-CB 4.45Å; Q380-A422 HydrophobicContact CG-CB 3.72Å; Q380-A422 VanDerWaalsContact OE1-CB 3.23Å; L408-A422 WeakPolarHBondContact O-CA 3.17Å; K409-A422 HydrophobicContact CD-CB 4.46Å; K409-A422 HydrophobicContact CG-CB 4.12Å |
| 423 | Q | 88.5 | Confident | 84.1 | Confident | 30 Ų | 30 | 61.8 Ų | 61.8 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 151.9 | -177.6 | -58.4 | -56.8 | -58.3 | 0 | 0 | 111.3 | A381 L408 P410 K421 Q427 V428 | A381-Q423 WeakPolarHBondContact CB-O 3.02Å; A381-Q423 PolarHBondContact N-O 2.84Å; L408-Q423 PolarHBondContact O-N 2.75Å; P410-Q423 HydrophobicContact CG-CG 3.86Å; K421-Q423 PolarHBondContact O-NE2 2.9Å; Q423-Q427 HydrophobicContact CB-CB 3.91Å; Q423-Q427 HydrophobicContact CG-CB 4.49Å; Q423-V428 HydrophobicContact CB-CG2 3.48Å; Q423-V428 VanDerWaalsContact CB-CG2 3.48Å; Q423-V428 HydrophobicContact CG-CG2 4.3Å |
| 424 | T | 90 | Very high | 84.7 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 26% | 0.264 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -74.1 | 164.5 | 168.2 | 67 | 0 | 0 | 0 | 0 | 111 | T426 Q427 V428 | T424-T426 VanDerWaalsContact C-N 3.27Å; T424-T426 PolarHBondContact O-N 2.88Å; T424-T426 PolarHBondContact OG1-OG1 2.88Å; T424-T426 VanDerWaalsContact OG1-OG1 3.09Å; T424-Q427 PolarHBondContact O-N 3.33Å; T424-Q427 VanDerWaalsContact O-N 3.16Å; T424-Q427 WeakPolarHBondContact OG1-CG 3.41Å; T424-Q427 PolarHBondContact OG1-N 3.44Å; T424-Q427 PolarHBondContact OG1-OE1 3.27Å; T424-V428 PolarHBondContact O-N 2.86Å; T424-V428 VanDerWaalsContact O-N 3.11Å |
| 425 | K | 91.1 | Very high | 85.6 | Confident | 62 Ų | 62 | 55.1 Ų | 55.1 | 27% | 0.27 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -49 | -48.6 | 174.9 | 170.1 | 170 | 178 | 150 | 0 | 112.3 | F372 Q374 Q427 V428 E429 | F372-K425 HydrophobicContact CB-CG 4.24Å; F372-K425 VanDerWaalsContact O-CD 3.29Å; F372-K425 WeakPolarHBondContact O-CD 3.39Å; F372-K425 VanDerWaalsContact O-CE 3.28Å; F372-K425 WeakPolarHBondContact O-CE 3.05Å; F372-K425 PolarHBondContact O-NZ 3.42Å; Q374-K425 HydrophobicContact CB-CB 4.16Å; K425-Q427 PolarHBondContact O-N 2.86Å; K425-V428 PolarHBondContact O-N 3.46Å; K425-E429 WeakPolarHBondContact CE-OE1 2.92Å; K425-E429 WeakPolarHBondContact CE-OE2 3.26Å; K425-E429 HydrophobicContact CG-CG 4.41Å; K425-E429 IonicContact NZ-OE1 2.8Å; K425-E429 IonicContact NZ-OE2 3.18Å; K425-E429 PolarHBondContact O-N 3.28Å |
| 426 | T | 86.3 | Confident | 86.7 | Confident | 97 Ų | 97 | 52.2 Ų | 52.2 | 60% | 0.595 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -66.9 | -34.6 | -176.4 | 48.8 | 0 | 0 | 0 | 0 | 113 | T424 F430 | T424-T426 VanDerWaalsContact C-N 3.27Å; T424-T426 PolarHBondContact O-N 2.88Å; T424-T426 PolarHBondContact OG1-OG1 2.88Å; T424-T426 VanDerWaalsContact OG1-OG1 3.09Å; T426-F430 WeakPolarHBondContact O-CB 2.96Å; T426-F430 PolarHBondContact O-N 3.47Å |
| 427 | Q | 87.1 | Confident | 87.4 | Confident | 72 Ų | 72 | 45 Ų | 45 | 34% | 0.336 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67 | -39.4 | 174.4 | -75.2 | 164.8 | -14.2 | 0 | 0 | 111.9 | Q423 T424 K425 A431 | Q423-Q427 HydrophobicContact CB-CB 3.91Å; Q423-Q427 HydrophobicContact CG-CB 4.49Å; T424-Q427 PolarHBondContact O-N 3.33Å; T424-Q427 VanDerWaalsContact O-N 3.16Å; T424-Q427 WeakPolarHBondContact OG1-CG 3.41Å; T424-Q427 PolarHBondContact OG1-N 3.44Å; T424-Q427 PolarHBondContact OG1-OE1 3.27Å; K425-Q427 PolarHBondContact O-N 2.86Å; Q427-A431 WeakPolarHBondContact O-CB 3.36Å; Q427-A431 PolarHBondContact O-N 3.48Å |
| 428 | V | 89.5 | Confident | 88 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.2 | -43.6 | 177.9 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | F372 A381 F407 L408 Q423 T424 K425 F430 A431 V432 | F372-V428 HydrophobicContact CD1-CB 4.45Å; F372-V428 HydrophobicContact CD1-CG1 3.78Å; F372-V428 HydrophobicContact CD2-CB 4.41Å; F372-V428 HydrophobicContact CD2-CG1 3.95Å; F372-V428 HydrophobicContact CE1-CG1 3.48Å; F372-V428 VanDerWaalsContact CE1-CG1 3.48Å; F372-V428 HydrophobicContact CE2-CG1 3.68Å; F372-V428 HydrophobicContact CG-CB 4.35Å; F372-V428 HydrophobicContact CG-CG1 4Å; F372-V428 HydrophobicContact CZ-CG1 3.42Å; F372-V428 VanDerWaalsContact CZ-CG1 3.42Å; A381-V428 HydrophobicContact CB-CB 4.16Å; A381-V428 HydrophobicContact CB-CG2 3.48Å; A381-V428 VanDerWaalsContact CB-CG2 3.48Å; F407-V428 HydrophobicContact CB-CG1 4.07Å; L408-V428 HydrophobicContact CD2-CG1 4.19Å; L408-V428 HydrophobicContact CD2-CG2 4.14Å; Q423-V428 HydrophobicContact CB-CG2 3.48Å; Q423-V428 VanDerWaalsContact CB-CG2 3.48Å; Q423-V428 HydrophobicContact CG-CG2 4.3Å; T424-V428 PolarHBondContact O-N 2.86Å; T424-V428 VanDerWaalsContact O-N 3.11Å; K425-V428 PolarHBondContact O-N 3.46Å; V428-F430 VanDerWaalsContact C-N 3.29Å; V428-F430 PolarHBondContact O-N 2.88Å; V428-A431 PolarHBondContact O-N 2.67Å; V428-V432 WeakPolarHBondContact O-CG2 3.12Å; V428-V432 PolarHBondContact O-N 2.95Å |
| 429 | E | 89.9 | Confident | 88.6 | Confident | 32 Ų | 32 | 35 Ų | 35 | 15% | 0.15 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.1 | -43.1 | 174.1 | -75.3 | -175.8 | 125.9 | 0 | 0 | 111.1 | R319 F372 K425 V432 E433 | R319-E429 IonicContact CZ-OE1 2.78Å; R319-E429 VanDerWaalsContact CZ-OE1 3.27Å; R319-E429 IonicContact NH1-OE1 3.7Å; R319-E429 PolarHBondContact NH1-OE1 2.94Å; R319-E429 IonicContact NH2-OE1 3.98Å; R319-E429 PolarHBondContact NH2-OE1 2.91Å; F372-E429 HydrophobicContact CD2-CG 3.87Å; K425-E429 WeakPolarHBondContact CE-OE1 2.92Å; K425-E429 WeakPolarHBondContact CE-OE2 3.26Å; K425-E429 HydrophobicContact CG-CG 4.41Å; K425-E429 IonicContact NZ-OE1 2.8Å; K425-E429 IonicContact NZ-OE2 3.18Å; K425-E429 PolarHBondContact O-N 3.28Å; E429-V432 PolarHBondContact O-N 2.76Å; E429-E433 WeakPolarHBondContact O-CG 3.38Å; E429-E433 PolarHBondContact O-N 2.65Å |
| 430 | F | 85.5 | Confident | 89.1 | Confident | 43 Ų | 43 | 31.6 Ų | 31.6 | 19% | 0.189 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 173.7 | -178.6 | -86.2 | 0 | 0 | 0 | 112.5 | T426 V428 V432 E433 A434 M600 P605 | T426-F430 WeakPolarHBondContact O-CB 2.96Å; T426-F430 PolarHBondContact O-N 3.47Å; V428-F430 VanDerWaalsContact C-N 3.29Å; V428-F430 PolarHBondContact O-N 2.88Å; F430-V432 VanDerWaalsContact C-N 3.3Å; F430-V432 PolarHBondContact O-N 3.41Å; F430-E433 PolarHBondContact O-N 3.35Å; F430-A434 HydrophobicContact CD1-CB 4.46Å; F430-A434 HydrophobicContact CE1-CB 4Å; F430-A434 HydrophobicContact CZ-CB 4.46Å; F430-A434 WeakPolarHBondContact O-CB 3.43Å; F430-A434 PolarHBondContact O-N 2.76Å; F430-M600 HydrophobicContact CD1-CE 4.06Å; F430-M600 HydrophobicContact CD2-CE 4.11Å; F430-M600 HydrophobicContact CE1-CE 3.67Å; F430-M600 HydrophobicContact CE2-CB 4.07Å; F430-M600 HydrophobicContact CE2-CE 3.69Å; F430-M600 HydrophobicContact CG-CE 4.29Å; F430-M600 HydrophobicContact CZ-CB 4.38Å; F430-M600 HydrophobicContact CZ-CE 3.47Å; F430-M600 VanDerWaalsContact CZ-CE 3.47Å; F430-P605 HydrophobicContact CE1-CG 3.91Å; F430-P605 HydrophobicContact CZ-CG 4.31Å |
| 431 | A | 87.9 | Confident | 89.3 | Confident | 14 Ų | 14 | 30.4 Ų | 30.4 | 12% | 0.116 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -37 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F407 Q427 V428 I435 | F407-A431 HydrophobicContact CD1-CB 4.14Å; F407-A431 HydrophobicContact CE1-CB 4.32Å; Q427-A431 WeakPolarHBondContact O-CB 3.36Å; Q427-A431 PolarHBondContact O-N 3.48Å; V428-A431 PolarHBondContact O-N 2.67Å; A431-I435 WeakPolarHBondContact O-CB 3.1Å; A431-I435 VanDerWaalsContact O-CG1 3.29Å; A431-I435 WeakPolarHBondContact O-CG1 3.22Å; A431-I435 PolarHBondContact O-N 3.49Å; A431-I435 VanDerWaalsContact O-N 3.08Å |
| 432 | V | 91.3 | Very high | 89.6 | Confident | 6 Ų | 6 | 26.8 Ų | 26.8 | 4% | 0.036 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.7 | -48.8 | 172.8 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | L367 L370 F372 F407 V428 E429 F430 A434 I435 S436 | L367-V432 HydrophobicContact CB-CG1 4.18Å; L367-V432 HydrophobicContact CD2-CG1 4.25Å; L367-V432 VanDerWaalsContact O-CG1 3.28Å; L367-V432 WeakPolarHBondContact O-CG1 3.34Å; L370-V432 HydrophobicContact CD1-CG1 4.25Å; L370-V432 HydrophobicContact CD1-CG2 4.05Å; F372-V432 HydrophobicContact CE2-CG2 3.87Å; F372-V432 HydrophobicContact CZ-CG2 3.95Å; F407-V432 HydrophobicContact CD1-CG2 3.74Å; F407-V432 HydrophobicContact CE1-CB 4.36Å; F407-V432 HydrophobicContact CE1-CG2 3.58Å; F407-V432 HydrophobicContact CE2-CG2 4.44Å; F407-V432 HydrophobicContact CG-CG2 4.27Å; F407-V432 HydrophobicContact CZ-CG2 3.96Å; V428-V432 WeakPolarHBondContact O-CG2 3.12Å; V428-V432 PolarHBondContact O-N 2.95Å; E429-V432 PolarHBondContact O-N 2.76Å; F430-V432 VanDerWaalsContact C-N 3.3Å; F430-V432 PolarHBondContact O-N 3.41Å; V432-A434 VanDerWaalsContact C-N 3.35Å; V432-A434 PolarHBondContact O-N 2.85Å; V432-I435 PolarHBondContact O-N 2.75Å; V432-S436 WeakPolarHBondContact O-CB 3.47Å; V432-S436 PolarHBondContact O-N 2.7Å; V432-S436 PolarHBondContact O-OG 2.71Å |
| 433 | E | 89.9 | Confident | 89.9 | Confident | 22 Ų | 22 | 25.4 Ų | 25.4 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.8 | -43.2 | 175.7 | -77.9 | -176.3 | 152.1 | 0 | 0 | 112.6 | I283 R284 F320 E429 F430 S436 K437 | I283-E433 HydrophobicContact CB-CG 4.38Å; I283-E433 HydrophobicContact CD1-CB 3.85Å; I283-E433 HydrophobicContact CD1-CG 3.93Å; I283-E433 HydrophobicContact CG2-CB 4.36Å; I283-E433 HydrophobicContact CG2-CG 4.32Å; R284-E433 IonicContact CZ-OE1 2.59Å; R284-E433 VanDerWaalsContact CZ-OE1 3.24Å; R284-E433 IonicContact CZ-OE2 2.7Å; R284-E433 IonicContact NE-OE1 3.21Å; R284-E433 PolarHBondContact NE-OE1 3.11Å; R284-E433 IonicContact NE-OE2 2.7Å; R284-E433 IonicContact NH2-OE1 2.77Å; R284-E433 PolarHBondContact NH2-OE1 2.82Å; R284-E433 IonicContact NH2-OE2 3.16Å; R284-E433 PolarHBondContact NH2-OE2 2.89Å; F320-E433 HydrophobicContact CE1-CG 4.08Å; F320-E433 HydrophobicContact CZ-CG 4.36Å; E429-E433 WeakPolarHBondContact O-CG 3.38Å; E429-E433 PolarHBondContact O-N 2.65Å; F430-E433 PolarHBondContact O-N 3.35Å; E433-S436 PolarHBondContact O-N 3.47Å; E433-K437 VanDerWaalsContact O-CG 3.31Å; E433-K437 WeakPolarHBondContact O-CG 3.21Å; E433-K437 PolarHBondContact O-N 2.78Å |
| 434 | A | 86.6 | Confident | 90.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F430 V432 K437 S438 L606 | F430-A434 HydrophobicContact CD1-CB 4.46Å; F430-A434 HydrophobicContact CE1-CB 4Å; F430-A434 HydrophobicContact CZ-CB 4.46Å; F430-A434 WeakPolarHBondContact O-CB 3.43Å; F430-A434 PolarHBondContact O-N 2.76Å; V432-A434 VanDerWaalsContact C-N 3.35Å; V432-A434 PolarHBondContact O-N 2.85Å; A434-K437 PolarHBondContact O-N 2.69Å; A434-S438 WeakPolarHBondContact O-CB 3.11Å; A434-S438 PolarHBondContact O-N 2.65Å; A434-L606 HydrophobicContact CB-CD2 4.24Å |
| 435 | I | 91 | Very high | 90.1 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 175.6 | -68.3 | -68.3 | 0 | 0 | 0 | 110.9 | F407 A431 V432 K437 S438 I439 V610 V611 L614 | F407-I435 HydrophobicContact CE1-CG1 4.26Å; F407-I435 HydrophobicContact CZ-CB 4.47Å; F407-I435 HydrophobicContact CZ-CG1 4.38Å; A431-I435 WeakPolarHBondContact O-CB 3.1Å; A431-I435 VanDerWaalsContact O-CG1 3.29Å; A431-I435 WeakPolarHBondContact O-CG1 3.22Å; A431-I435 PolarHBondContact O-N 3.49Å; A431-I435 VanDerWaalsContact O-N 3.08Å; V432-I435 PolarHBondContact O-N 2.75Å; I435-K437 PolarHBondContact O-N 2.59Å; I435-S438 PolarHBondContact O-N 2.97Å; I435-I439 HydrophobicContact CG2-CD1 3.72Å; I435-I439 HydrophobicContact CG2-CG1 4.21Å; I435-I439 VanDerWaalsContact O-CG1 3.31Å; I435-I439 WeakPolarHBondContact O-CG1 3.01Å; I435-I439 PolarHBondContact O-N 2.68Å; I435-V610 HydrophobicContact CD1-CB 4.02Å; I435-V610 HydrophobicContact CD1-CG1 3.89Å; I435-V610 HydrophobicContact CG1-CB 4.28Å; I435-V610 HydrophobicContact CG1-CG1 4Å; I435-V610 HydrophobicContact CG2-CG1 4.13Å; I435-V611 HydrophobicContact CD1-CG2 4.36Å; I435-L614 HydrophobicContact CG2-CD1 4.29Å |
| 436 | S | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.4 | -44.7 | 177.2 | -62.7 | 0 | 0 | 0 | 0 | 113 | F320 L367 V432 E433 Y440 | F320-S436 WeakPolarHBondContact CE2-OG 3.26Å; L367-S436 VanDerWaalsContact CB-OG 3.28Å; L367-S436 WeakPolarHBondContact CB-OG 3.21Å; L367-S436 WeakPolarHBondContact CD1-OG 3.1Å; V432-S436 WeakPolarHBondContact O-CB 3.47Å; V432-S436 PolarHBondContact O-N 2.7Å; V432-S436 PolarHBondContact O-OG 2.71Å; E433-S436 PolarHBondContact O-N 3.47Å; S436-Y440 PolarHBondContact O-N 3.34Å |
| 437 | K | 89.3 | Confident | 90.5 | Very high | 17 Ų | 17 | 21.2 Ų | 21.2 | 7% | 0.074 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.5 | -46.8 | 173 | -71.5 | -177.2 | -57.3 | 173.8 | 0 | 111.8 | K279 I283 E433 A434 I435 Y440 E441 D604 | K279-K437 HydrophobicContact CB-CB 4.16Å; K279-K437 HydrophobicContact CB-CG 4.38Å; K279-K437 HydrophobicContact CD-CB 4.18Å; K279-K437 HydrophobicContact CG-CB 4.45Å; K279-K437 HydrophobicContact CG-CD 4.39Å; I283-K437 HydrophobicContact CD1-CD 4Å; I283-K437 HydrophobicContact CD1-CG 4.28Å; I283-K437 HydrophobicContact CG1-CD 4.47Å; I283-K437 HydrophobicContact CG1-CG 4.39Å; I283-K437 HydrophobicContact CG2-CG 4.06Å; E433-K437 VanDerWaalsContact O-CG 3.31Å; E433-K437 WeakPolarHBondContact O-CG 3.21Å; E433-K437 PolarHBondContact O-N 2.78Å; A434-K437 PolarHBondContact O-N 2.69Å; I435-K437 PolarHBondContact O-N 2.59Å; K437-Y440 PolarHBondContact O-N 2.73Å; K437-E441 WeakPolarHBondContact O-CB 3.16Å; K437-E441 PolarHBondContact O-N 2.63Å; K437-D604 WeakPolarHBondContact CE-OD1 3.42Å; K437-D604 IonicContact NZ-OD1 3.36Å; K437-D604 PolarHBondContact NZ-OD1 2.83Å |
| 438 | S | 88.8 | Confident | 90.8 | Very high | 6 Ų | 6 | 18.2 Ų | 18.2 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69.7 | -35.8 | -175.6 | -166.4 | 0 | 0 | 0 | 0 | 113 | A434 I435 Y440 E441 R442 W626 | A434-S438 WeakPolarHBondContact O-CB 3.11Å; A434-S438 PolarHBondContact O-N 2.65Å; I435-S438 PolarHBondContact O-N 2.97Å; S438-Y440 VanDerWaalsContact C-N 3.35Å; S438-E441 PolarHBondContact O-N 2.67Å; S438-R442 WeakPolarHBondContact O-CB 3.47Å; S438-R442 VanDerWaalsContact O-CG 3.31Å; S438-R442 WeakPolarHBondContact O-CG 3.07Å; S438-R442 PolarHBondContact O-N 2.88Å; S438-W626 WeakPolarHBondContact OG-CH2 3.07Å |
| 439 | I | 92.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.4 | -47.9 | 171.3 | -70.7 | 170.6 | 0 | 0 | 0 | 110.2 | V360 V364 L367 L396 I435 R442 L443 M625 W626 | V360-I439 HydrophobicContact CG1-CG2 3.32Å; V364-I439 HydrophobicContact CG2-CB 4.03Å; V364-I439 HydrophobicContact CG2-CG2 3.57Å; L367-I439 HydrophobicContact CD1-CD1 3.82Å; L396-I439 HydrophobicContact CD1-CD1 4.15Å; I435-I439 HydrophobicContact CG2-CD1 3.72Å; I435-I439 HydrophobicContact CG2-CG1 4.21Å; I435-I439 VanDerWaalsContact O-CG1 3.31Å; I435-I439 WeakPolarHBondContact O-CG1 3.01Å; I435-I439 PolarHBondContact O-N 2.68Å; I439-R442 PolarHBondContact O-N 3.37Å; I439-L443 WeakPolarHBondContact O-CB 3.35Å; I439-L443 PolarHBondContact O-N 2.76Å; I439-M625 HydrophobicContact CG2-CE 4.33Å; I439-M625 VanDerWaalsContact O-CE 3.26Å; I439-M625 WeakPolarHBondContact O-CE 3.19Å; I439-W626 HydrophobicContact CG1-CZ2 3.78Å |
| 440 | Y | 94.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | -179.3 | -166 | -90.3 | 0 | 0 | 0 | 112.8 | F239 L277 V282 F292 I294 F295 S436 K437 S438 L443 F444 | F239-Y440 WeakPolarHBondContact CA-OH 3.11Å; F239-Y440 PolarHBondContact O-OH 2.97Å; L277-Y440 HydrophobicContact CD2-CD1 3.96Å; L277-Y440 HydrophobicContact CD2-CE1 4.1Å; V282-Y440 HydrophobicContact CG1-CG 4.44Å; V282-Y440 HydrophobicContact CG2-CD1 3.54Å; V282-Y440 HydrophobicContact CG2-CD2 4.27Å; V282-Y440 HydrophobicContact CG2-CE1 4.18Å; V282-Y440 HydrophobicContact CG2-CG 3.6Å; F292-Y440 WeakPolarHBondContact CB-OH 3.18Å; F292-Y440 HydrophobicContact CD1-CE1 4.43Å; F292-Y440 HydrophobicContact CD2-CD1 4.45Å; F292-Y440 AromaticContact CD2-CE1 3.66Å; F292-Y440 HydrophobicContact CD2-CE1 3.66Å; F292-Y440 AromaticContact CD2-CZ 3.81Å; F292-Y440 HydrophobicContact CE2-CD1 4.38Å; F292-Y440 AromaticContact CE2-CE1 3.84Å; F292-Y440 HydrophobicContact CE2-CE1 3.84Å; F292-Y440 AromaticContact CG-CE1 3.98Å; F292-Y440 HydrophobicContact CG-CE1 3.98Å; F292-Y440 AromaticContact CG-CZ 3.88Å; F292-Y440 WeakPolarHBondContact CG-OH 3.49Å; F292-Y440 HydrophobicContact CZ-CE1 4.29Å; I294-Y440 HydrophobicContact CG2-CE2 4.34Å; I294-Y440 WeakPolarHBondContact CG2-OH 3.12Å; F295-Y440 HydrophobicContact CE1-CE2 4.41Å; F295-Y440 HydrophobicContact CE2-CD2 4.15Å; F295-Y440 AromaticContact CE2-CE2 3.62Å; F295-Y440 HydrophobicContact CE2-CE2 3.62Å; F295-Y440 AromaticContact CZ-CD2 3.65Å; F295-Y440 HydrophobicContact CZ-CD2 3.65Å; F295-Y440 AromaticContact CZ-CE2 3.48Å; F295-Y440 HydrophobicContact CZ-CE2 3.48Å; F295-Y440 VanDerWaalsContact CZ-CE2 3.48Å; S436-Y440 PolarHBondContact O-N 3.34Å; K437-Y440 PolarHBondContact O-N 2.73Å; S438-Y440 VanDerWaalsContact C-N 3.35Å; Y440-L443 WeakPolarHBondContact O-CB 3.43Å; Y440-L443 PolarHBondContact O-N 3.38Å; Y440-F444 PolarHBondContact O-N 2.65Å |
| 441 | E | 89.8 | Confident | 91.2 | Very high | 49 Ų | 49 | 20.8 Ų | 20.8 | 23% | 0.229 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.1 | -45 | 175.1 | -177.7 | 173.5 | -139.5 | 0 | 0 | 111.9 | K279 K437 S438 L443 F444 L445 | K279-E441 WeakPolarHBondContact CD-OE2 3.01Å; K279-E441 WeakPolarHBondContact CE-OE1 3.16Å; K279-E441 WeakPolarHBondContact CE-OE2 3.48Å; K279-E441 VanDerWaalsContact NZ-CD 3.34Å; K279-E441 IonicContact NZ-OE1 2.79Å; K279-E441 PolarHBondContact NZ-OE1 3.46Å; K279-E441 IonicContact NZ-OE2 3.14Å; K279-E441 PolarHBondContact NZ-OE2 2.69Å; K437-E441 WeakPolarHBondContact O-CB 3.16Å; K437-E441 PolarHBondContact O-N 2.63Å; S438-E441 PolarHBondContact O-N 2.67Å; E441-L443 VanDerWaalsContact C-N 3.34Å; E441-L443 PolarHBondContact O-N 3.09Å; E441-F444 PolarHBondContact O-N 3.23Å; E441-L445 HydrophobicContact CG-CD1 4.23Å; E441-L445 WeakPolarHBondContact O-CG 3.43Å; E441-L445 PolarHBondContact O-N 2.68Å |
| 442 | R | 90.9 | Very high | 91.4 | Very high | 33 Ų | 33 | 21.3 Ų | 21.3 | 13% | 0.125 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.2 | -36.9 | 174.8 | -74.4 | 173.8 | 176.6 | -81.1 | -8.6 | 112.7 | S438 I439 L445 W446 M625 W626 | S438-R442 WeakPolarHBondContact O-CB 3.47Å; S438-R442 VanDerWaalsContact O-CG 3.31Å; S438-R442 WeakPolarHBondContact O-CG 3.07Å; S438-R442 PolarHBondContact O-N 2.88Å; I439-R442 PolarHBondContact O-N 3.37Å; R442-L445 PolarHBondContact O-N 2.72Å; R442-W446 WeakPolarHBondContact O-CB 3.48Å; R442-W446 PolarHBondContact O-N 3.2Å; R442-M625 HydrophobicContact CB-CB 4.48Å; R442-M625 HydrophobicContact CB-CE 3.81Å; R442-M625 PolarHBondContact NH1-O 3.14Å; R442-W626 VanDerWaalsContact NE-CZ3 3.31Å |
| 443 | L | 93.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.5 | -44.7 | 176.7 | -177.1 | 63.4 | 0 | 0 | 0 | 111.1 | F239 I357 V360 I361 I439 Y440 E441 W446 L447 F621 M625 | F239-L443 HydrophobicContact CE1-CD2 4.06Å; F239-L443 HydrophobicContact CE1-CG 4.42Å; I357-L443 HydrophobicContact CB-CD1 4.43Å; I357-L443 HydrophobicContact CG1-CD1 4.05Å; I357-L443 HydrophobicContact CG2-CD1 4.32Å; I357-L443 HydrophobicContact CG2-CD2 4.41Å; V360-L443 HydrophobicContact CB-CD2 4.48Å; V360-L443 HydrophobicContact CG1-CD2 4.07Å; I361-L443 HydrophobicContact CG1-CD2 3.92Å; I439-L443 WeakPolarHBondContact O-CB 3.35Å; I439-L443 PolarHBondContact O-N 2.76Å; Y440-L443 WeakPolarHBondContact O-CB 3.43Å; Y440-L443 PolarHBondContact O-N 3.38Å; E441-L443 VanDerWaalsContact C-N 3.34Å; E441-L443 PolarHBondContact O-N 3.09Å; L443-W446 PolarHBondContact O-N 2.91Å; L443-L447 WeakPolarHBondContact O-CG 3.49Å; L443-L447 PolarHBondContact O-N 2.74Å; L443-F621 HydrophobicContact CD1-CE1 3.81Å; L443-F621 HydrophobicContact CD1-CZ 3.77Å; L443-M625 HydrophobicContact CB-CE 3.91Å; L443-M625 HydrophobicContact CD1-SD 4.16Å |
| 444 | F | 93.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.3 | -45.3 | 176 | -176 | -104.3 | 0 | 0 | 0 | 112.2 | L236 F239 F253 T274 L277 Y440 E441 W446 L447 V448 | L236-F444 HydrophobicContact CD2-CE2 4.21Å; L236-F444 HydrophobicContact CD2-CZ 4.37Å; F239-F444 HydrophobicContact CB-CD2 3.92Å; F239-F444 HydrophobicContact CB-CE2 4.34Å; F253-F444 HydrophobicContact CD1-CZ 4.33Å; F253-F444 HydrophobicContact CD2-CE1 4.16Å; F253-F444 AromaticContact CD2-CZ 3.61Å; F253-F444 HydrophobicContact CD2-CZ 3.61Å; F253-F444 HydrophobicContact CE1-CZ 4.46Å; F253-F444 AromaticContact CE2-CZ 3.73Å; F253-F444 HydrophobicContact CE2-CZ 3.73Å; F253-F444 HydrophobicContact CG-CE1 4.45Å; F253-F444 AromaticContact CG-CZ 3.93Å; F253-F444 HydrophobicContact CG-CZ 3.93Å; F253-F444 HydrophobicContact CZ-CZ 4.19Å; T274-F444 HydrophobicContact CG2-CE1 4.01Å; T274-F444 HydrophobicContact CG2-CZ 4.14Å; L277-F444 HydrophobicContact CD1-CD1 4.33Å; L277-F444 HydrophobicContact CD1-CE1 4.35Å; L277-F444 HydrophobicContact CD1-CG 4.44Å; L277-F444 HydrophobicContact CD1-CZ 4.5Å; L277-F444 HydrophobicContact CD2-CB 3.88Å; L277-F444 HydrophobicContact CD2-CD1 4Å; L277-F444 HydrophobicContact CD2-CG 3.95Å; Y440-F444 PolarHBondContact O-N 2.65Å; E441-F444 PolarHBondContact O-N 3.23Å; F444-W446 VanDerWaalsContact C-N 3.35Å; F444-W446 PolarHBondContact O-N 2.72Å; F444-L447 WeakPolarHBondContact O-CB 3.47Å; F444-L447 PolarHBondContact O-N 3.44Å; F444-V448 HydrophobicContact CD1-CG2 4.41Å; F444-V448 HydrophobicContact CE1-CG2 4.1Å; F444-V448 HydrophobicContact CZ-CG2 4.23Å; F444-V448 WeakPolarHBondContact O-CG2 3.42Å; F444-V448 PolarHBondContact O-N 3.1Å |
| 445 | L | 90.8 | Very high | 91.2 | Very high | 92 Ų | 92 | 28.7 Ų | 28.7 | 48% | 0.482 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -64.6 | -36.6 | 176.6 | -69.2 | 171.4 | 0 | 0 | 0 | 112.6 | E441 R442 V448 A449 | E441-L445 HydrophobicContact CG-CD1 4.23Å; E441-L445 WeakPolarHBondContact O-CG 3.43Å; E441-L445 PolarHBondContact O-N 2.68Å; R442-L445 PolarHBondContact O-N 2.72Å; L445-V448 PolarHBondContact O-N 3.33Å; L445-A449 WeakPolarHBondContact O-CB 3.31Å; L445-A449 PolarHBondContact O-N 3.45Å |
| 446 | W | 92.8 | Very high | 90.7 | Very high | 47 Ų | 47 | 33.1 Ų | 33.1 | 18% | 0.178 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 172.8 | -175.9 | 101.2 | 0 | 0 | 0 | 111.5 | D353 I357 R442 L443 F444 A449 R450 F621 | D353-W446 HydrophobicContact CB-CH2 4.18Å; I357-W446 HydrophobicContact CD1-CZ3 4.14Å; R442-W446 WeakPolarHBondContact O-CB 3.48Å; R442-W446 PolarHBondContact O-N 3.2Å; L443-W446 PolarHBondContact O-N 2.91Å; F444-W446 VanDerWaalsContact C-N 3.35Å; F444-W446 PolarHBondContact O-N 2.72Å; W446-A449 PolarHBondContact O-N 2.7Å; W446-R450 HydrophobicContact CE3-CB 4.26Å; W446-R450 HydrophobicContact CH2-CB 4.27Å; W446-R450 HydrophobicContact CH2-CG 4.05Å; W446-R450 HydrophobicContact CZ3-CB 4.03Å; W446-R450 HydrophobicContact CZ3-CG 4.14Å; W446-R450 WeakPolarHBondContact O-CB 3.38Å; W446-R450 PolarHBondContact O-N 3.28Å; W446-F621 HydrophobicContact CD2-CE2 4.02Å; W446-F621 HydrophobicContact CD2-CZ 4.29Å; W446-F621 AromaticContact CE2-CE2 3.75Å; W446-F621 HydrophobicContact CE3-CE2 4.11Å; W446-F621 HydrophobicContact CE3-CZ 4.25Å; W446-F621 AromaticContact CH2-CE2 3.8Å; W446-F621 HydrophobicContact CH2-CE2 3.8Å; W446-F621 HydrophobicContact CZ2-CD2 4.26Å; W446-F621 AromaticContact CZ2-CE2 3.65Å; W446-F621 HydrophobicContact CZ2-CE2 3.65Å; W446-F621 HydrophobicContact CZ3-CE2 4.02Å; W446-F621 HydrophobicContact CZ3-CZ 4.44Å |
| 447 | L | 93 | Very high | 89.5 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61 | -45.8 | 176.6 | -77.6 | 166.6 | 0 | 0 | 0 | 111.8 | I235 F239 I349 I357 L443 F444 R450 I451 | I235-L447 HydrophobicContact CG2-CD2 4.44Å; F239-L447 HydrophobicContact CB-CD1 4.47Å; F239-L447 HydrophobicContact CD1-CD1 3.43Å; F239-L447 VanDerWaalsContact CD1-CD1 3.43Å; F239-L447 HydrophobicContact CD2-CD1 4.05Å; F239-L447 HydrophobicContact CE1-CD1 3.5Å; F239-L447 VanDerWaalsContact CE1-CD1 3.5Å; F239-L447 HydrophobicContact CE2-CD1 4.14Å; F239-L447 HydrophobicContact CG-CD1 3.72Å; F239-L447 HydrophobicContact CZ-CD1 3.87Å; I349-L447 HydrophobicContact CD1-CD2 4Å; I357-L447 HydrophobicContact CD1-CD2 3.83Å; L443-L447 WeakPolarHBondContact O-CG 3.49Å; L443-L447 PolarHBondContact O-N 2.74Å; F444-L447 WeakPolarHBondContact O-CB 3.47Å; F444-L447 PolarHBondContact O-N 3.44Å; L447-R450 PolarHBondContact O-N 2.99Å; L447-I451 WeakPolarHBondContact O-CB 3.45Å; L447-I451 VanDerWaalsContact O-CG1 3.27Å; L447-I451 WeakPolarHBondContact O-CG1 3.04Å; L447-I451 PolarHBondContact O-N 2.85Å |
| 448 | V | 91.9 | Very high | 88.2 | Confident | 9 Ų | 9 | 40 Ų | 40 | 6% | 0.055 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60 | -47.2 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | L236 I272 T274 F444 L445 R450 I451 N452 | L236-V448 HydrophobicContact CD2-CG2 3.8Å; I272-V448 WeakPolarHBondContact O-CG1 3.21Å; T274-V448 HydrophobicContact CG2-CG1 4.18Å; T274-V448 HydrophobicContact CG2-CG2 3.67Å; F444-V448 HydrophobicContact CD1-CG2 4.41Å; F444-V448 HydrophobicContact CE1-CG2 4.1Å; F444-V448 HydrophobicContact CZ-CG2 4.23Å; F444-V448 WeakPolarHBondContact O-CG2 3.42Å; F444-V448 PolarHBondContact O-N 3.1Å; L445-V448 PolarHBondContact O-N 3.33Å; V448-R450 VanDerWaalsContact C-N 3.33Å; V448-R450 PolarHBondContact O-N 3.49Å; V448-I451 PolarHBondContact O-N 2.72Å; V448-N452 PolarHBondContact O-N 3.04Å; V448-N452 PolarHBondContact O-ND2 2.89Å |
| 449 | A | 90.8 | Very high | 86.7 | Confident | 59 Ų | 59 | 52 Ų | 52 | 49% | 0.488 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.7 | -36.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L445 W446 K453 | L445-A449 WeakPolarHBondContact O-CB 3.31Å; L445-A449 PolarHBondContact O-N 3.45Å; W446-A449 PolarHBondContact O-N 2.7Å; A449-K453 WeakPolarHBondContact O-CB 3.41Å; A449-K453 PolarHBondContact O-N 2.75Å; A449-K453 VanDerWaalsContact O-N 3.08Å |
| 450 | R | 91.3 | Very high | 85.2 | Confident | 70 Ų | 70 | 61.6 Ų | 61.6 | 26% | 0.264 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -70 | -41.1 | 175.8 | -177.4 | 54.9 | 173.9 | -96.1 | -1.9 | 112 | G348 I349 D353 W446 L447 V448 K453 T454 | G348-R450 PolarHBondContact O-NH2 2.83Å; I349-R450 HydrophobicContact CD1-CG 4.45Å; I349-R450 HydrophobicContact CG1-CG 4Å; D353-R450 IonicContact OD2-CZ 3.79Å; D353-R450 IonicContact OD2-NH1 3.27Å; D353-R450 PolarHBondContact OD2-NH1 2.86Å; D353-R450 IonicContact OD2-NH2 2.88Å; D353-R450 PolarHBondContact OD2-NH2 3.07Å; W446-R450 HydrophobicContact CE3-CB 4.26Å; W446-R450 HydrophobicContact CH2-CB 4.27Å; W446-R450 HydrophobicContact CH2-CG 4.05Å; W446-R450 HydrophobicContact CZ3-CB 4.03Å; W446-R450 HydrophobicContact CZ3-CG 4.14Å; W446-R450 WeakPolarHBondContact O-CB 3.38Å; W446-R450 PolarHBondContact O-N 3.28Å; L447-R450 PolarHBondContact O-N 2.99Å; V448-R450 VanDerWaalsContact C-N 3.33Å; V448-R450 PolarHBondContact O-N 3.49Å; R450-K453 PolarHBondContact O-N 3.49Å; R450-T454 PolarHBondContact O-N 2.69Å; R450-T454 PolarHBondContact O-OG1 2.78Å |
| 451 | I | 92.4 | Very high | 83.8 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59 | -51.4 | 173.8 | -75 | 165.7 | 0 | 0 | 0 | 110.2 | A232 I235 L236 I272 M347 L447 V448 K453 T454 L455 | A232-I451 HydrophobicContact CB-CG2 3.95Å; I235-I451 HydrophobicContact CB-CD1 4.32Å; I235-I451 HydrophobicContact CD1-CD1 4.45Å; I235-I451 HydrophobicContact CG2-CD1 4.18Å; L236-I451 HydrophobicContact CD2-CD1 3.95Å; L236-I451 HydrophobicContact CG-CD1 4.12Å; I272-I451 HydrophobicContact CD1-CG2 4.01Å; M347-I451 HydrophobicContact CE-CB 4.18Å; M347-I451 HydrophobicContact CE-CG1 4.18Å; M347-I451 HydrophobicContact CE-CG2 3.94Å; L447-I451 WeakPolarHBondContact O-CB 3.45Å; L447-I451 VanDerWaalsContact O-CG1 3.27Å; L447-I451 WeakPolarHBondContact O-CG1 3.04Å; L447-I451 PolarHBondContact O-N 2.85Å; V448-I451 PolarHBondContact O-N 2.72Å; I451-K453 VanDerWaalsContact C-N 3.32Å; I451-K453 PolarHBondContact O-N 3.48Å; I451-T454 PolarHBondContact O-N 2.66Å; I451-L455 HydrophobicContact CG2-CD1 3.78Å; I451-L455 HydrophobicContact CG2-CG 4.42Å; I451-L455 WeakPolarHBondContact O-CG 3.17Å; I451-L455 PolarHBondContact O-N 2.68Å |
| 452 | N | 91.7 | Very high | 82.8 | Confident | 24 Ų | 24 | 66 Ų | 66 | 13% | 0.128 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.3 | -40.1 | -179.5 | -64.9 | -15.7 | 0 | 0 | 0 | 111.6 | N271 I272 V448 T454 L455 D456 | N271-N452 VanDerWaalsContact OD1-CG 3.25Å; N271-N452 PolarHBondContact OD1-ND2 2.79Å; I272-N452 WeakPolarHBondContact CB-OD1 3.21Å; I272-N452 PolarHBondContact N-OD1 3.43Å; I272-N452 PolarHBondContact O-ND2 2.8Å; V448-N452 PolarHBondContact O-N 3.04Å; V448-N452 PolarHBondContact O-ND2 2.89Å; N452-T454 PolarHBondContact O-N 2.79Å; N452-L455 PolarHBondContact O-N 3.36Å; N452-L455 VanDerWaalsContact O-N 3.1Å; N452-D456 WeakPolarHBondContact O-CB 3.47Å; N452-D456 PolarHBondContact O-N 3.48Å |
| 453 | K | 88.8 | Confident | 82.2 | Confident | 167 Ų | 167 | 67.5 Ų | 67.5 | 73% | 0.726 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.6 | -27.9 | 174.5 | -174.4 | 174.5 | 179.1 | -179.7 | 0 | 113.8 | A449 R450 I451 | A449-K453 WeakPolarHBondContact O-CB 3.41Å; A449-K453 PolarHBondContact O-N 2.75Å; A449-K453 VanDerWaalsContact O-N 3.08Å; R450-K453 PolarHBondContact O-N 3.49Å; I451-K453 VanDerWaalsContact C-N 3.32Å; I451-K453 PolarHBondContact O-N 3.48Å |
| 454 | T | 87.4 | Confident | 82 | Confident | 16 Ų | 16 | 68 Ų | 68 | 10% | 0.098 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -81.8 | -30.9 | 173.6 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | Q228 M347 R450 I451 N452 K457 | Q228-T454 HydrophobicContact CG-CG2 4.24Å; M347-T454 HydrophobicContact CE-CG2 3.76Å; M347-T454 WeakPolarHBondContact O-CG2 3.12Å; M347-T454 PolarHBondContact O-OG1 2.62Å; R450-T454 PolarHBondContact O-N 2.69Å; R450-T454 PolarHBondContact O-OG1 2.78Å; I451-T454 PolarHBondContact O-N 2.66Å; N452-T454 PolarHBondContact O-N 2.79Å; T454-K457 VanDerWaalsContact O-CD 3.25Å; T454-K457 WeakPolarHBondContact O-CD 3.45Å; T454-K457 WeakPolarHBondContact O-CE 3.26Å; T454-K457 VanDerWaalsContact O-CG 3.31Å; T454-K457 WeakPolarHBondContact O-CG 3.05Å |
| 455 | L | 87.5 | Confident | 81.9 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -82 | -27.2 | -179.7 | -64.7 | 174.2 | 0 | 0 | 0 | 113.4 | L225 Q228 L229 G269 A270 I272 M347 I451 N452 K457 | L225-L455 HydrophobicContact CD1-CB 4.41Å; L225-L455 HydrophobicContact CD1-CD2 4.04Å; L225-L455 VanDerWaalsContact CD1-O 3.25Å; L225-L455 WeakPolarHBondContact CD1-O 3.07Å; Q228-L455 HydrophobicContact CB-CD2 3.94Å; L229-L455 HydrophobicContact CB-CD2 4.19Å; L229-L455 HydrophobicContact CD1-CD1 4.43Å; G269-L455 WeakPolarHBondContact CA-O 3.13Å; A270-L455 HydrophobicContact CB-CB 4.27Å; A270-L455 HydrophobicContact CB-CD1 4.26Å; A270-L455 PolarHBondContact N-O 2.62Å; A270-L455 WeakPolarHBondContact O-CB 3.22Å; I272-L455 HydrophobicContact CD1-CD1 4.2Å; I272-L455 HydrophobicContact CG1-CD1 4.32Å; M347-L455 HydrophobicContact CE-CD2 4.27Å; M347-L455 HydrophobicContact CE-CG 4.17Å; I451-L455 HydrophobicContact CG2-CD1 3.78Å; I451-L455 HydrophobicContact CG2-CG 4.42Å; I451-L455 WeakPolarHBondContact O-CG 3.17Å; I451-L455 PolarHBondContact O-N 2.68Å; N452-L455 PolarHBondContact O-N 3.36Å; N452-L455 VanDerWaalsContact O-N 3.1Å; L455-K457 VanDerWaalsContact C-N 3.28Å; L455-K457 PolarHBondContact O-N 2.79Å |
| 456 | D | 79.6 | Confident | 82.1 | Confident | 95 Ų | 95 | 64 Ų | 64 | 51% | 0.508 | 32% | 0.318 | S | S | . | . | trans | -92.5 | 45.1 | -178.3 | -153.4 | 37.3 | 0 | 0 | 0 | 112.5 | N452 T458 | N452-D456 WeakPolarHBondContact O-CB 3.47Å; N452-D456 PolarHBondContact O-N 3.48Å; D456-T458 VanDerWaalsContact C-N 3.34Å; D456-T458 PolarHBondContact O-N 2.91Å | ||
| 457 | K | 67.5 | Low | 82.2 | Confident | 106 Ų | 106 | 61.7 Ų | 61.7 | 46% | 0.461 | 31% | 0.31 | S | S | . | . | trans | -70.8 | -21.9 | -174.9 | -87.5 | 166.9 | -176.5 | 165.4 | 0 | 114.6 | E224 Q228 T454 L455 | E224-K457 IonicContact OE1-NZ 3.65Å; E224-K457 PolarHBondContact OE1-NZ 2.67Å; Q228-K457 VanDerWaalsContact CD-NZ 3.31Å; T454-K457 VanDerWaalsContact O-CD 3.25Å; T454-K457 WeakPolarHBondContact O-CD 3.45Å; T454-K457 WeakPolarHBondContact O-CE 3.26Å; T454-K457 VanDerWaalsContact O-CG 3.31Å; T454-K457 WeakPolarHBondContact O-CG 3.05Å; L455-K457 VanDerWaalsContact C-N 3.28Å; L455-K457 PolarHBondContact O-N 2.79Å | ||
| 458 | T | 62 | Low | 82.2 | Confident | 57 Ų | 57 | 61.7 Ų | 61.7 | 35% | 0.35 | 31% | 0.31 | S | S | . | . | trans | -93.6 | 124.5 | -178.4 | 64.4 | 0 | 0 | 0 | 0 | 110.5 | A268 D456 R460 | A268-T458 WeakPolarHBondContact O-CG2 3.44Å; A268-T458 PolarHBondContact O-OG1 2.73Å; D456-T458 VanDerWaalsContact C-N 3.34Å; D456-T458 PolarHBondContact O-N 2.91Å; T458-R460 PolarHBondContact O-N 2.96Å | ||
| 459 | R | 57.6 | Low | 82.3 | Confident | 256 Ų | 256 | 61.3 Ų | 61.3 | 97% | 0.966 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -63.8 | 4.4 | 173.2 | -72 | -170.4 | 175.2 | -159.4 | 0.2 | 114.5 | ||
| 460 | R | 62.3 | Low | 82.2 | Confident | 203 Ų | 203 | 58.5 Ų | 58.5 | 77% | 0.766 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -98.1 | 120.3 | -175.7 | -71.3 | -177.1 | 171.4 | -162 | -8.7 | 108.6 | T458 G462 | T458-R460 PolarHBondContact O-N 2.96Å; R460-G462 PolarHBondContact O-N 2.78Å |
| 461 | P | 64.7 | Low | 81.9 | Confident | 123 Ų | 123 | 55.8 Ų | 55.8 | 80% | 0.799 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 138.9 | 169.6 | 26.3 | -33.2 | 0 | 0 | 0 | 109.3 | ||
| 462 | G | 67.6 | Low | 81.3 | Confident | 21 Ų | 21 | 56 Ų | 56 | 22% | 0.216 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 139.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | F261 R460 S464 | F261-G462 CarbonylContact O-C 3.6Å; F261-G462 VanDerWaalsContact O-CA 3.26Å; F261-G462 WeakPolarHBondContact O-CA 3.25Å; R460-G462 PolarHBondContact O-N 2.78Å; G462-S464 VanDerWaalsContact C-N 3.3Å |
| 463 | A | 79.2 | Confident | 80.5 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 54% | 0.537 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -75.1 | -25.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | F261 T263 | F261-A463 PolarHBondContact O-N 3.2Å; T263-A463 HydrophobicContact CG2-CB 3.59Å |
| 464 | S | 89.1 | Confident | 80.3 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 9% | 0.091 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 168.2 | 173.1 | 60.5 | 0 | 0 | 0 | 0 | 110.3 | M164 D170 F261 G462 | M164-S464 VanDerWaalsContact CG-OG 3.3Å; M164-S464 WeakPolarHBondContact CG-OG 2.94Å; M164-S464 PolarHBondContact SD-OG 3.15Å; D170-S464 WeakPolarHBondContact OD1-CA 3.43Å; D170-S464 WeakPolarHBondContact OD1-CB 3.06Å; F261-S464 PolarHBondContact N-O 2.97Å; G462-S464 VanDerWaalsContact C-N 3.3Å |
| 465 | F | 92.4 | Very high | 79.8 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 157.3 | 176.1 | 77 | -90.2 | 0 | 0 | 0 | 114.2 | D170 Q171 F256 R258 I259 V672 T676 | D170-F465 HydrophobicContact CB-CD1 3.8Å; D170-F465 HydrophobicContact CB-CE1 3.61Å; D170-F465 HydrophobicContact CB-CG 4.39Å; D170-F465 HydrophobicContact CB-CZ 4.03Å; D170-F465 VanDerWaalsContact OD1-CD1 3.26Å; D170-F465 WeakPolarHBondContact OD1-CD1 3Å; D170-F465 PolarHBondContact OD1-N 3.38Å; D170-F465 VanDerWaalsContact OD2-CD1 3.27Å; D170-F465 WeakPolarHBondContact OD2-CD1 3.48Å; D170-F465 WeakPolarHBondContact OD2-CE1 3.29Å; Q171-F465 PolarHBondContact N-O 2.93Å; Q171-F465 VanDerWaalsContact N-O 3.12Å; F256-F465 HydrophobicContact CZ-CE2 4.25Å; R258-F465 HydrophobicContact CB-CD2 4.44Å; R258-F465 HydrophobicContact CG-CB 3.89Å; R258-F465 HydrophobicContact CG-CD2 3.66Å; R258-F465 HydrophobicContact CG-CE2 4.36Å; R258-F465 HydrophobicContact CG-CG 3.86Å; R258-F465 VanDerWaalsContact NH2-CD1 3.27Å; I259-F465 CarbonylContact O-C 3.56Å; I259-F465 WeakPolarHBondContact O-CA 3.43Å; I259-F465 VanDerWaalsContact O-CB 3.3Å; I259-F465 WeakPolarHBondContact O-CB 3.35Å; F465-V672 HydrophobicContact CE2-CG1 4.5Å; F465-V672 HydrophobicContact CZ-CG1 4.09Å; F465-T676 HydrophobicContact CE1-CG2 4.48Å; F465-T676 HydrophobicContact CE2-CG2 3.96Å; F465-T676 HydrophobicContact CZ-CG2 3.62Å |
| 466 | V | 94.6 | Very high | 79.4 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118.2 | 164 | -179.1 | 0 | 0 | 0 | 0 | 108.6 | M164 Q171 I173 L194 I259 F261 I468 | M164-V466 HydrophobicContact SD-CG2 3.79Å; Q171-V466 HydrophobicContact CB-CG2 4.43Å; Q171-V466 CarbonylContact O-C 2.72Å; Q171-V466 WeakPolarHBondContact O-CA 2.95Å; I173-V466 HydrophobicContact CD1-CG1 4.05Å; I173-V466 HydrophobicContact CG1-CG1 4.37Å; L194-V466 HydrophobicContact CD1-CG1 4.32Å; I259-V466 PolarHBondContact N-O 2.75Å; I259-V466 PolarHBondContact O-N 2.69Å; F261-V466 HydrophobicContact CD2-CG2 4.42Å; F261-V466 HydrophobicContact CE2-CB 3.94Å; F261-V466 HydrophobicContact CE2-CG2 3.64Å; F261-V466 HydrophobicContact CZ-CG2 4.26Å; V466-I468 HydrophobicContact CG1-CG1 4.38Å |
| 467 | G | 94.1 | Very high | 79.4 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 113.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q171 S172 I173 | Q171-G467 PolarHBondContact O-N 2.64Å; S172-G467 CarbonylContact C-O 3.35Å; S172-G467 WeakPolarHBondContact CA-O 3.3Å; S172-G467 VanDerWaalsContact CB-O 3.25Å; S172-G467 WeakPolarHBondContact CB-O 3.11Å; I173-G467 PolarHBondContact N-O 2.89Å |
| 468 | I | 94.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122 | -178.8 | -47 | 165.2 | 0 | 0 | 0 | 109.4 | I173 T187 V190 I191 L194 F256 I257 I259 V466 | I173-I468 WeakPolarHBondContact O-CA 3.03Å; T187-I468 HydrophobicContact CG2-CG2 3.87Å; V190-I468 HydrophobicContact CB-CD1 4.23Å; V190-I468 HydrophobicContact CG1-CD1 3.56Å; V190-I468 HydrophobicContact CG1-CG1 4.09Å; I191-I468 HydrophobicContact CG1-CD1 3.67Å; L194-I468 HydrophobicContact CD1-CD1 4.32Å; F256-I468 WeakPolarHBondContact CA-O 3.38Å; I257-I468 PolarHBondContact N-O 2.67Å; I257-I468 PolarHBondContact O-N 2.86Å; I259-I468 HydrophobicContact CD1-CD1 3.88Å; V466-I468 HydrophobicContact CG1-CG1 4.38Å |
| 469 | L | 93.2 | Very high | 80.7 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 123.1 | 180 | -177.7 | 66.8 | 0 | 0 | 0 | 111.6 | I173 L174 C175 F256 L494 L669 L673 | I173-L469 PolarHBondContact O-N 2.71Å; L174-L469 HydrophobicContact CD2-CD2 4.13Å; L174-L469 HydrophobicContact CG-CB 4.38Å; L174-L469 HydrophobicContact CG-CD2 4.32Å; C175-L469 PolarHBondContact N-O 3.2Å; F256-L469 HydrophobicContact CB-CD1 4.27Å; F256-L469 HydrophobicContact CD2-CB 4.14Å; F256-L469 HydrophobicContact CD2-CD1 4.27Å; L469-L494 HydrophobicContact CD2-CD1 3.9Å; L469-L494 HydrophobicContact CD2-CD2 3.65Å; L469-L494 HydrophobicContact CD2-CG 4.46Å; L469-L669 HydrophobicContact CD1-CD1 4.39Å; L469-L669 HydrophobicContact CD1-CD2 4.03Å; L469-L673 HydrophobicContact CD2-CD1 4.01Å |
| 470 | D | 89.4 | Confident | 82.1 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.6 | 168.4 | -174.4 | 33.5 | 0 | 0 | 0 | 109.3 | K183 T184 T187 K255 | K183-D470 VanDerWaalsContact CB-OD1 3.24Å; K183-D470 WeakPolarHBondContact CB-OD1 3.38Å; T184-D470 VanDerWaalsContact CA-OD2 3.22Å; T184-D470 WeakPolarHBondContact CA-OD2 3.25Å; T184-D470 WeakPolarHBondContact CB-OD2 2.92Å; T184-D470 WeakPolarHBondContact CG2-OD2 2.91Å; T184-D470 PolarHBondContact N-OD1 2.69Å; T184-D470 PolarHBondContact OG1-OD1 2.93Å; T184-D470 PolarHBondContact OG1-OD2 2.7Å; T187-D470 HydrophobicContact CG2-CB 4.08Å; K255-D470 WeakPolarHBondContact CE-OD2 3.26Å; K255-D470 HydrophobicContact CG-CB 3.93Å; K255-D470 PolarHBondContact N-O 2.71Å; K255-D470 IonicContact NZ-OD2 3.97Å; K255-D470 PolarHBondContact O-N 3.34Å; K255-D470 VanDerWaalsContact O-O 3.07Å |
| 471 | I | 84.4 | Confident | 83.2 | Confident | 12 Ų | 12 | 32.1 Ų | 32.1 | 6% | 0.062 | 19% | 0.19 | C | C | . | . | trans | -142.7 | 154.4 | -172.2 | -166.3 | 169.5 | 0 | 0 | 0 | 111.4 | K183 G473 T490 L494 | K183-I471 WeakPolarHBondContact CE-O 3.22Å; I471-G473 PolarHBondContact O-N 2.74Å; I471-T490 HydrophobicContact CD1-CG2 3.32Å; I471-L494 HydrophobicContact CD1-CD1 4.02Å; I471-L494 HydrophobicContact CG2-CD1 3.93Å | ||
| 472 | A | 79.2 | Confident | 84.3 | Confident | 6 Ų | 6 | 26.5 Ų | 26.5 | 5% | 0.05 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -49.7 | 126.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110 | I487 N491 | A472-I487 HydrophobicContact CB-CD1 4.24Å; A472-I487 HydrophobicContact CB-CG1 4.25Å; A472-I487 HydrophobicContact CB-CG2 3.87Å; A472-N491 PolarHBondContact O-ND2 2.74Å |
| 473 | G | 75.9 | Confident | 85 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 170.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G177 I471 E475 I487 | G177-G473 VanDerWaalsContact O-CA 3.31Å; G177-G473 WeakPolarHBondContact O-CA 2.85Å; I471-G473 PolarHBondContact O-N 2.74Å; G473-E475 PolarHBondContact O-N 2.65Å; G473-I487 WeakPolarHBondContact O-CG2 3.38Å |
| 474 | F | 83.1 | Confident | 85.4 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.018 | 13% | 0.126 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 133.4 | 173.9 | -159.1 | -83.3 | 0 | 0 | 0 | 111.3 | I476 N488 N491 H586 Y587 A588 V591 | F474-I476 HydrophobicContact CD1-CD1 4.37Å; F474-I476 HydrophobicContact CD1-CG1 3.99Å; F474-I476 HydrophobicContact CE1-CD1 3.92Å; F474-I476 HydrophobicContact CE1-CG1 3.67Å; F474-N488 HydrophobicContact CD2-CB 4.09Å; F474-N488 HydrophobicContact CE2-CB 3.58Å; F474-N488 HydrophobicContact CZ-CB 3.92Å; F474-N491 HydrophobicContact CB-CB 4.35Å; F474-N491 HydrophobicContact CD2-CB 3.92Å; F474-N491 PolarHBondContact N-OD1 2.63Å; F474-H586 HydrophobicContact CE2-CB 3.69Å; F474-H586 AromaticContact CE2-CG 3.81Å; F474-H586 AromaticContact CE2-ND1 3.97Å; F474-H586 HydrophobicContact CZ-CB 3.43Å; F474-H586 VanDerWaalsContact CZ-CB 3.43Å; F474-H586 AromaticContact CZ-CD2 3.96Å; F474-H586 AromaticContact CZ-CG 3.59Å; F474-Y587 HydrophobicContact CD2-CD1 4.39Å; F474-Y587 AromaticContact CD2-CE1 3.63Å; F474-Y587 HydrophobicContact CD2-CE1 3.63Å; F474-Y587 HydrophobicContact CE2-CD1 4.37Å; F474-Y587 HydrophobicContact CE2-CE1 4.04Å; F474-A588 HydrophobicContact CD1-CB 3.78Å; F474-A588 HydrophobicContact CD2-CB 4.22Å; F474-A588 HydrophobicContact CE1-CB 3.87Å; F474-A588 HydrophobicContact CE2-CB 4.31Å; F474-A588 HydrophobicContact CG-CB 3.98Å; F474-A588 HydrophobicContact CZ-CB 4.15Å; F474-V591 HydrophobicContact CE1-CG2 3.8Å; F474-V591 HydrophobicContact CZ-CG2 3.83Å |
| 475 | E | 77.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -130.8 | 136.5 | -173.7 | -81.8 | 179 | 173.6 | 0 | 0 | 112.3 | S179 R252 G473 F477 N488 | S179-E475 VanDerWaalsContact CB-OE1 3.26Å; S179-E475 WeakPolarHBondContact CB-OE1 3.28Å; S179-E475 PolarHBondContact OG-OE1 3.05Å; R252-E475 IonicContact CZ-OE1 3.11Å; R252-E475 IonicContact CZ-OE2 2.88Å; R252-E475 VanDerWaalsContact CZ-OE2 3.26Å; R252-E475 IonicContact NH1-OE1 2.72Å; R252-E475 PolarHBondContact NH1-OE1 2.58Å; R252-E475 IonicContact NH1-OE2 3.4Å; R252-E475 PolarHBondContact NH1-OE2 2.96Å; R252-E475 IonicContact NH2-OE2 3.66Å; R252-E475 PolarHBondContact NH2-OE2 2.65Å; G473-E475 PolarHBondContact O-N 2.65Å; E475-F477 HydrophobicContact CB-CE2 3.86Å; E475-F477 HydrophobicContact CB-CZ 4Å; E475-F477 HydrophobicContact CG-CE2 4.17Å; E475-F477 HydrophobicContact CG-CZ 3.87Å; E475-F477 WeakPolarHBondContact OE2-CE2 2.75Å; E475-F477 WeakPolarHBondContact OE2-CZ 3.23Å; E475-N488 PolarHBondContact N-OD1 2.74Å; E475-N488 PolarHBondContact O-ND2 2.69Å; E475-N488 PolarHBondContact O-OD1 3.39Å | ||
| 476 | I | 80 | Confident | 85.3 | Confident | 65 Ų | 65 | 23.2 Ų | 23.2 | 33% | 0.333 | 12% | 0.119 | S | C | . | . | trans | -135.9 | 119 | 176.4 | -47.8 | -178.4 | 0 | 0 | 0 | 106 | F474 V591 | F474-I476 HydrophobicContact CD1-CD1 4.37Å; F474-I476 HydrophobicContact CD1-CG1 3.99Å; F474-I476 HydrophobicContact CE1-CD1 3.92Å; F474-I476 HydrophobicContact CE1-CG1 3.67Å; I476-V591 HydrophobicContact CD1-CG2 4.15Å; I476-V591 HydrophobicContact CG1-CG2 3.98Å | ||
| 477 | F | 79 | Confident | 84.9 | Confident | 35 Ų | 35 | 23.6 Ų | 23.6 | 15% | 0.154 | 12% | 0.121 | C | C | . | . | trans | -126.1 | 174.9 | 178.5 | -57.7 | -54.9 | 0 | 0 | 0 | 110.2 | E475 V479 N480 Q484 | E475-F477 HydrophobicContact CB-CE2 3.86Å; E475-F477 HydrophobicContact CB-CZ 4Å; E475-F477 HydrophobicContact CG-CE2 4.17Å; E475-F477 HydrophobicContact CG-CZ 3.87Å; E475-F477 WeakPolarHBondContact OE2-CE2 2.75Å; E475-F477 WeakPolarHBondContact OE2-CZ 3.23Å; F477-V479 PolarHBondContact O-N 2.67Å; F477-N480 PolarHBondContact N-OD1 2.63Å; F477-N480 PolarHBondContact O-ND2 2.66Å; F477-N480 PolarHBondContact O-OD1 2.91Å; F477-Q484 HydrophobicContact CD2-CG 3.91Å; F477-Q484 HydrophobicContact CE2-CG 4.14Å | ||
| 478 | Q | 77.6 | Confident | 84.7 | Confident | 199 Ų | 199 | 23.6 Ų | 23.6 | 93% | 0.93 | 12% | 0.121 | S | C | * | . | S | Bend | trans | -67.4 | -24.4 | 174.7 | -67.2 | 178.8 | -9.1 | 0 | 0 | 113.1 | ||
| 479 | V | 79.5 | Confident | 84.5 | Confident | 99 Ų | 99 | 23.6 Ų | 23.6 | 60% | 0.6 | 12% | 0.121 | S | C | * | . | S | Bend | trans | -134.7 | 108.2 | 174.9 | -178.1 | 0 | 0 | 0 | 0 | 107.3 | F477 N594 | F477-V479 PolarHBondContact O-N 2.67Å; V479-N594 HydrophobicContact CG1-CB 4.32Å |
| 480 | N | 85.5 | Confident | 84.4 | Confident | 5 Ų | 5 | 23.7 Ų | 23.7 | 3% | 0.027 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -102.5 | 121.3 | 178.1 | -50.8 | -75.6 | 0 | 0 | 0 | 108.8 | F477 Q484 V591 E592 Y593 N594 | F477-N480 PolarHBondContact N-OD1 2.63Å; F477-N480 PolarHBondContact O-ND2 2.66Å; F477-N480 PolarHBondContact O-OD1 2.91Å; N480-Q484 HydrophobicContact CB-CB 4.08Å; N480-Q484 HydrophobicContact CB-CG 4.43Å; N480-V591 HydrophobicContact CB-CG1 4.02Å; N480-E592 WeakPolarHBondContact CB-O 2.92Å; N480-E592 PolarHBondContact ND2-O 3.33Å; N480-Y593 HydrophobicContact CB-CD1 3.59Å; N480-Y593 HydrophobicContact CB-CE1 3.84Å; N480-Y593 HydrophobicContact CB-CG 4.46Å; N480-Y593 WeakPolarHBondContact O-CA 3.08Å; N480-N594 PolarHBondContact O-N 3.03Å |
| 481 | S | 86.7 | Confident | 84.4 | Confident | 15 Ų | 15 | 24 Ų | 24 | 11% | 0.105 | 12% | 0.123 | C | C | . | . | trans | -104.1 | 179.1 | -176.3 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | E483 Q484 L485 K601 | S481-E483 WeakPolarHBondContact CB-OE2 3.29Å; S481-E483 PolarHBondContact O-N 3.31Å; S481-E483 VanDerWaalsContact O-N 3.15Å; S481-E483 PolarHBondContact OG-OE2 3.3Å; S481-Q484 WeakPolarHBondContact O-CA 2.84Å; S481-Q484 WeakPolarHBondContact O-CB 2.89Å; S481-Q484 PolarHBondContact O-N 2.77Å; S481-L485 PolarHBondContact O-N 2.79Å; S481-K601 PolarHBondContact OG-NZ 3.34Å | ||
| 482 | F | 87.1 | Confident | 84.7 | Confident | 5 Ų | 5 | 23.4 Ų | 23.4 | 2% | 0.022 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -48.1 | -38.4 | 174.8 | 175.7 | -111.2 | 0 | 0 | 0 | 112.9 | L485 C486 F540 L543 W598 K601 N602 V658 | F482-L485 PolarHBondContact O-N 3.39Å; F482-C486 PolarHBondContact O-N 2.8Å; F482-C486 PolarHBondContact O-SG 3.28Å; F482-F540 HydrophobicContact CE2-CD1 4.45Å; F482-F540 HydrophobicContact CE2-CE1 4.15Å; F482-L543 HydrophobicContact CD2-CD2 3.82Å; F482-L543 HydrophobicContact CE2-CD2 3.59Å; F482-W598 HydrophobicContact CB-CD2 3.85Å; F482-W598 HydrophobicContact CB-CE3 4.45Å; F482-W598 HydrophobicContact CB-CG 3.99Å; F482-W598 HydrophobicContact CB-CZ2 4.36Å; F482-W598 HydrophobicContact CD2-CD2 4.4Å; F482-W598 HydrophobicContact CD2-CE3 4.22Å; F482-W598 VanDerWaalsContact N-NE1 3.15Å; F482-K601 HydrophobicContact CB-CD 4.48Å; F482-K601 HydrophobicContact CD1-CB 4.36Å; F482-N602 HydrophobicContact CZ-CB 4.3Å; F482-N602 WeakPolarHBondContact CZ-OD1 3.37Å; F482-V658 HydrophobicContact CE1-CB 4.11Å; F482-V658 HydrophobicContact CE1-CG1 3.92Å; F482-V658 HydrophobicContact CZ-CB 4.42Å; F482-V658 HydrophobicContact CZ-CG1 4.46Å |
| 483 | E | 83.7 | Confident | 85.2 | Confident | 26 Ų | 26 | 24 Ų | 24 | 12% | 0.121 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 176.7 | -58.5 | 88.8 | 154.4 | 0 | 0 | 112 | E278 A280 S481 C486 I487 K601 | E278-E483 HydrophobicContact CG-CB 4.27Å; E278-E483 HydrophobicContact CG-CG 4.41Å; A280-E483 VanDerWaalsContact CB-OE1 3.24Å; A280-E483 WeakPolarHBondContact CB-OE1 3.25Å; S481-E483 WeakPolarHBondContact CB-OE2 3.29Å; S481-E483 PolarHBondContact O-N 3.31Å; S481-E483 VanDerWaalsContact O-N 3.15Å; S481-E483 PolarHBondContact OG-OE2 3.3Å; E483-C486 PolarHBondContact O-N 3.38Å; E483-I487 WeakPolarHBondContact O-CG1 2.97Å; E483-I487 PolarHBondContact O-N 2.7Å; E483-I487 VanDerWaalsContact O-N 3.11Å; E483-K601 VanDerWaalsContact CD-NZ 3.29Å; E483-K601 IonicContact OE1-NZ 2.85Å; E483-K601 PolarHBondContact OE1-NZ 2.96Å; E483-K601 IonicContact OE2-NZ 3.98Å; E483-K601 PolarHBondContact OE2-NZ 2.69Å |
| 484 | Q | 86.2 | Confident | 85.9 | Confident | 13 Ų | 13 | 24.2 Ų | 24.2 | 6% | 0.061 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.5 | -40.1 | 173.5 | -76.5 | 62.3 | 53.3 | 0 | 0 | 111.6 | E278 F477 N480 S481 C486 I487 N488 Y593 | E278-Q484 PolarHBondContact OE1-NE2 2.8Å; F477-Q484 HydrophobicContact CD2-CG 3.91Å; F477-Q484 HydrophobicContact CE2-CG 4.14Å; N480-Q484 HydrophobicContact CB-CB 4.08Å; N480-Q484 HydrophobicContact CB-CG 4.43Å; S481-Q484 WeakPolarHBondContact O-CA 2.84Å; S481-Q484 WeakPolarHBondContact O-CB 2.89Å; S481-Q484 PolarHBondContact O-N 2.77Å; Q484-C486 VanDerWaalsContact C-N 3.26Å; Q484-C486 PolarHBondContact O-N 2.65Å; Q484-I487 PolarHBondContact O-N 2.9Å; Q484-N488 WeakPolarHBondContact O-CB 3.25Å; Q484-N488 PolarHBondContact O-N 3.18Å; Q484-Y593 HydrophobicContact CB-CE1 4.31Å |
| 485 | L | 90.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.2 | -42.8 | 174.6 | 176.1 | 64.4 | 0 | 0 | 0 | 110.6 | S481 F482 N488 Y489 I533 I539 F540 Y593 W598 | S481-L485 PolarHBondContact O-N 2.79Å; F482-L485 PolarHBondContact O-N 3.39Å; L485-N488 PolarHBondContact O-N 3.27Å; L485-Y489 WeakPolarHBondContact O-CB 3.04Å; L485-Y489 PolarHBondContact O-N 2.86Å; L485-I533 HydrophobicContact CD1-CD1 4.23Å; L485-I539 HydrophobicContact CD2-CG2 3.88Å; L485-F540 HydrophobicContact CD2-CE1 3.9Å; L485-F540 HydrophobicContact CG-CE1 4.3Å; L485-Y593 HydrophobicContact CB-CD1 4.03Å; L485-Y593 HydrophobicContact CB-CE1 3.7Å; L485-Y593 HydrophobicContact CD1-CD2 4.45Å; L485-Y593 HydrophobicContact CD1-CE1 4.26Å; L485-Y593 HydrophobicContact CD1-CE2 3.89Å; L485-W598 HydrophobicContact CB-CH2 4.1Å; L485-W598 HydrophobicContact CD2-CH2 3.57Å; L485-W598 HydrophobicContact CD2-CZ3 3.59Å; L485-W598 HydrophobicContact CG-CH2 4.42Å |
| 486 | C | 89.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.2 | -46.9 | 177 | -70.3 | 0 | 0 | 0 | 0 | 112.5 | L276 F482 E483 Q484 T490 Y662 | L276-C486 HydrophobicContact CD2-CB 3.56Å; F482-C486 PolarHBondContact O-N 2.8Å; F482-C486 PolarHBondContact O-SG 3.28Å; E483-C486 PolarHBondContact O-N 3.38Å; Q484-C486 VanDerWaalsContact C-N 3.26Å; Q484-C486 PolarHBondContact O-N 2.65Å; C486-T490 PolarHBondContact O-N 3.3Å; C486-T490 PolarHBondContact O-OG1 3.1Å; C486-Y662 HydrophobicContact CB-CD1 3.85Å; C486-Y662 HydrophobicContact CB-CE1 3.43Å; C486-Y662 VanDerWaalsContact CB-CE1 3.43Å; C486-Y662 WeakPolarHBondContact O-CE1 3.29Å; C486-Y662 PolarHBondContact O-OH 2.75Å; C486-Y662 VanDerWaalsContact O-OH 3.07Å |
| 487 | I | 86.9 | Confident | 87.4 | Confident | 9 Ų | 9 | 22.5 Ų | 22.5 | 5% | 0.046 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 176.1 | -68.4 | 165.6 | 0 | 0 | 0 | 110.9 | L276 A472 G473 E483 Q484 T490 N491 | L276-I487 HydrophobicContact CD2-CG1 4.42Å; A472-I487 HydrophobicContact CB-CD1 4.24Å; A472-I487 HydrophobicContact CB-CG1 4.25Å; A472-I487 HydrophobicContact CB-CG2 3.87Å; G473-I487 WeakPolarHBondContact O-CG2 3.38Å; E483-I487 WeakPolarHBondContact O-CG1 2.97Å; E483-I487 PolarHBondContact O-N 2.7Å; E483-I487 VanDerWaalsContact O-N 3.11Å; Q484-I487 PolarHBondContact O-N 2.9Å; I487-T490 PolarHBondContact O-N 3.5Å; I487-N491 PolarHBondContact O-N 3.24Å; I487-N491 PolarHBondContact O-ND2 3.33Å |
| 488 | N | 89.1 | Confident | 87.9 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.4 | -40 | -177.3 | -71.4 | -14.9 | 0 | 0 | 0 | 112.3 | F474 E475 Q484 L485 T490 N491 E492 Y593 | F474-N488 HydrophobicContact CD2-CB 4.09Å; F474-N488 HydrophobicContact CE2-CB 3.58Å; F474-N488 HydrophobicContact CZ-CB 3.92Å; E475-N488 PolarHBondContact N-OD1 2.74Å; E475-N488 PolarHBondContact O-ND2 2.69Å; E475-N488 PolarHBondContact O-OD1 3.39Å; Q484-N488 WeakPolarHBondContact O-CB 3.25Å; Q484-N488 PolarHBondContact O-N 3.18Å; L485-N488 PolarHBondContact O-N 3.27Å; N488-T490 VanDerWaalsContact C-N 3.3Å; N488-T490 PolarHBondContact O-N 2.7Å; N488-N491 PolarHBondContact O-N 3.09Å; N488-E492 PolarHBondContact O-N 2.96Å; N488-Y593 WeakPolarHBondContact CB-OH 2.98Å; N488-Y593 PolarHBondContact ND2-OH 3.09Å |
| 489 | Y | 91.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -55.7 | -40.8 | 170.7 | 162.2 | -108.9 | 0 | 0 | 0 | 112.6 | L485 E492 K493 I530 I533 E534 F540 Y662 L666 | L485-Y489 WeakPolarHBondContact O-CB 3.04Å; L485-Y489 PolarHBondContact O-N 2.86Å; Y489-E492 WeakPolarHBondContact O-CB 3.38Å; Y489-E492 PolarHBondContact O-N 3.13Å; Y489-K493 HydrophobicContact CE1-CD 4.44Å; Y489-K493 HydrophobicContact CE2-CD 4.04Å; Y489-K493 PolarHBondContact O-N 2.7Å; Y489-K493 WeakPolarHBondContact OH-CE 3.37Å; Y489-K493 PolarHBondContact OH-NZ 3.41Å; Y489-I530 HydrophobicContact CE2-CG2 4.36Å; Y489-I533 HydrophobicContact CD2-CB 3.91Å; Y489-I533 HydrophobicContact CD2-CD1 3.99Å; Y489-I533 HydrophobicContact CD2-CG2 3.51Å; Y489-I533 HydrophobicContact CE2-CB 4.29Å; Y489-I533 HydrophobicContact CE2-CG2 3.92Å; Y489-I533 HydrophobicContact CG-CD1 4.5Å; Y489-I533 HydrophobicContact CG-CG2 4.01Å; Y489-E534 HydrophobicContact CE2-CB 4Å; Y489-E534 PolarHBondContact OH-OE2 2.89Å; Y489-F540 AromaticContact CD1-CE2 3.91Å; Y489-F540 HydrophobicContact CD1-CE2 3.91Å; Y489-F540 HydrophobicContact CD1-CZ 4.17Å; Y489-F540 AromaticContact CE1-CE2 3.8Å; Y489-F540 HydrophobicContact CE1-CE2 3.8Å; Y489-F540 HydrophobicContact CE1-CZ 4.5Å; Y489-F540 HydrophobicContact CE2-CE2 4.5Å; Y489-F540 HydrophobicContact CG-CE2 4.3Å; Y489-F540 HydrophobicContact CG-CZ 4.4Å; Y489-Y662 HydrophobicContact CD1-CE1 4.1Å; Y489-L666 HydrophobicContact CD1-CD2 3.92Å; Y489-L666 HydrophobicContact CE1-CD2 3.39Å |
| 490 | T | 90.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 9.5 Ų | 9.5 | 1% | 0.012 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -73.1 | -36.9 | 177.2 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | I471 C486 I487 N488 E492 K493 L494 Y662 L666 | I471-T490 HydrophobicContact CD1-CG2 3.32Å; C486-T490 PolarHBondContact O-N 3.3Å; C486-T490 PolarHBondContact O-OG1 3.1Å; I487-T490 PolarHBondContact O-N 3.5Å; N488-T490 VanDerWaalsContact C-N 3.3Å; N488-T490 PolarHBondContact O-N 2.7Å; T490-E492 VanDerWaalsContact C-N 3.33Å; T490-K493 PolarHBondContact O-N 2.81Å; T490-L494 HydrophobicContact CG2-CD1 4.06Å; T490-L494 HydrophobicContact CG2-CG 4.34Å; T490-L494 WeakPolarHBondContact O-CG 3.33Å; T490-L494 PolarHBondContact O-N 3.37Å; T490-Y662 VanDerWaalsContact OG1-CZ 3.29Å; T490-Y662 PolarHBondContact OG1-OH 3.2Å; T490-L666 HydrophobicContact CG2-CD1 3.58Å; T490-L666 HydrophobicContact CG2-CD2 4.11Å; T490-L666 HydrophobicContact CG2-CG 4.5Å; T490-L666 WeakPolarHBondContact OG1-CD2 3.34Å |
| 491 | N | 89 | Confident | 88.8 | Confident | 7 Ų | 7 | 11 Ų | 11 | 4% | 0.037 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 172.2 | -79.2 | -96.8 | 0 | 0 | 0 | 111.1 | A472 F474 I487 N488 L494 Q495 Y587 | A472-N491 PolarHBondContact O-ND2 2.74Å; F474-N491 HydrophobicContact CB-CB 4.35Å; F474-N491 HydrophobicContact CD2-CB 3.92Å; F474-N491 PolarHBondContact N-OD1 2.63Å; I487-N491 PolarHBondContact O-N 3.24Å; I487-N491 PolarHBondContact O-ND2 3.33Å; N488-N491 PolarHBondContact O-N 3.09Å; N491-L494 PolarHBondContact O-N 2.7Å; N491-Q495 WeakPolarHBondContact O-CB 3.47Å; N491-Q495 PolarHBondContact O-N 3.47Å; N491-Y587 HydrophobicContact CB-CE1 4.13Å |
| 492 | E | 90.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 171.9 | -157.3 | 89.9 | -163.3 | 0 | 0 | 111.2 | N488 Y489 T490 Q495 Q496 L526 T529 I530 H586 Y587 | N488-E492 PolarHBondContact O-N 2.96Å; Y489-E492 WeakPolarHBondContact O-CB 3.38Å; Y489-E492 PolarHBondContact O-N 3.13Å; T490-E492 VanDerWaalsContact C-N 3.33Å; E492-Q495 PolarHBondContact O-N 3.34Å; E492-Q496 WeakPolarHBondContact O-CB 3.13Å; E492-Q496 PolarHBondContact O-N 2.94Å; E492-L526 HydrophobicContact CG-CB 4.2Å; E492-L526 HydrophobicContact CG-CD1 4.28Å; E492-T529 HydrophobicContact CG-CG2 4.17Å; E492-T529 VanDerWaalsContact OE1-CB 3.27Å; E492-T529 WeakPolarHBondContact OE1-CB 3.47Å; E492-T529 WeakPolarHBondContact OE1-CG2 2.92Å; E492-T529 PolarHBondContact OE1-OG1 3.15Å; E492-T529 VanDerWaalsContact OE1-OG1 3.08Å; E492-I530 HydrophobicContact CB-CG1 4.33Å; E492-I530 HydrophobicContact CG-CD1 4.4Å; E492-I530 HydrophobicContact CG-CG1 3.85Å; E492-H586 WeakPolarHBondContact OE2-CA 3.29Å; E492-H586 VanDerWaalsContact OE2-CB 3.29Å; E492-H586 WeakPolarHBondContact OE2-CB 2.94Å; E492-H586 IonicContact OE2-CE1 2.69Å; E492-H586 IonicContact OE2-CG 2.97Å; E492-H586 IonicContact OE2-ND1 3.8Å; E492-H586 PolarHBondContact OE2-ND1 2.83Å; E492-Y587 PolarHBondContact OE1-N 2.86Å; E492-Y587 WeakPolarHBondContact OE2-CD1 2.97Å; E492-Y587 PolarHBondContact OE2-N 2.72Å |
| 493 | K | 91.1 | Very high | 88.5 | Confident | 20 Ų | 20 | 10.9 Ų | 10.9 | 9% | 0.087 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -66.5 | -36.4 | 177.4 | -89.4 | -172.1 | 164.6 | -172.1 | 0 | 114.3 | Y489 T490 Q496 L497 I530 E534 L666 M670 | Y489-K493 HydrophobicContact CE1-CD 4.44Å; Y489-K493 HydrophobicContact CE2-CD 4.04Å; Y489-K493 PolarHBondContact O-N 2.7Å; Y489-K493 WeakPolarHBondContact OH-CE 3.37Å; Y489-K493 PolarHBondContact OH-NZ 3.41Å; T490-K493 PolarHBondContact O-N 2.81Å; K493-Q496 PolarHBondContact O-N 2.61Å; K493-L497 PolarHBondContact O-N 3.37Å; K493-I530 HydrophobicContact CD-CG2 4.4Å; K493-I530 VanDerWaalsContact CE-CG2 3.47Å; K493-I530 HydrophobicContact CG-CD1 3.85Å; K493-I530 HydrophobicContact CG-CG1 4.07Å; K493-I530 HydrophobicContact CG-CG2 4.06Å; K493-E534 WeakPolarHBondContact CE-OE1 3.04Å; K493-E534 IonicContact NZ-OE1 2.65Å; K493-E534 PolarHBondContact NZ-OE1 3.03Å; K493-E534 IonicContact NZ-OE2 3.21Å; K493-E534 PolarHBondContact NZ-OE2 2.97Å; K493-L666 HydrophobicContact CD-CD2 3.59Å; K493-L666 HydrophobicContact CD-CG 4.26Å; K493-M670 HydrophobicContact CB-CE 4.38Å; K493-M670 WeakPolarHBondContact O-CE 3.34Å |
| 494 | L | 90.1 | Very high | 88.5 | Confident | 5 Ų | 5 | 12.5 Ų | 12.5 | 3% | 0.026 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -73.1 | -34.2 | 175.5 | -69.2 | 171.2 | 0 | 0 | 0 | 111.6 | L174 L469 I471 T490 N491 L497 F498 M670 L673 | L174-L494 HydrophobicContact CD2-CD2 4.35Å; L469-L494 HydrophobicContact CD2-CD1 3.9Å; L469-L494 HydrophobicContact CD2-CD2 3.65Å; L469-L494 HydrophobicContact CD2-CG 4.46Å; I471-L494 HydrophobicContact CD1-CD1 4.02Å; I471-L494 HydrophobicContact CG2-CD1 3.93Å; T490-L494 HydrophobicContact CG2-CD1 4.06Å; T490-L494 HydrophobicContact CG2-CG 4.34Å; T490-L494 WeakPolarHBondContact O-CG 3.33Å; T490-L494 PolarHBondContact O-N 3.37Å; N491-L494 PolarHBondContact O-N 2.7Å; L494-L497 PolarHBondContact O-N 3.34Å; L494-F498 PolarHBondContact O-N 2.77Å; L494-F498 VanDerWaalsContact O-N 3.12Å; L494-M670 HydrophobicContact CD2-CE 4.26Å; L494-M670 HydrophobicContact CD2-SD 3.87Å; L494-L673 HydrophobicContact CD2-CD1 3.96Å |
| 495 | Q | 89.7 | Confident | 88.5 | Confident | 4 Ų | 4 | 15.1 Ų | 15.1 | 2% | 0.019 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.1 | -42 | 169.7 | -174.7 | 62.3 | 40.5 | 0 | 0 | 111.2 | N491 E492 L497 F498 N499 L526 Y587 N707 | N491-Q495 WeakPolarHBondContact O-CB 3.47Å; N491-Q495 PolarHBondContact O-N 3.47Å; E492-Q495 PolarHBondContact O-N 3.34Å; Q495-L497 VanDerWaalsContact C-N 3.33Å; Q495-L497 PolarHBondContact O-N 2.79Å; Q495-F498 WeakPolarHBondContact O-CB 3.42Å; Q495-F498 PolarHBondContact O-N 2.82Å; Q495-N499 PolarHBondContact NE2-OD1 3.25Å; Q495-N499 PolarHBondContact O-N 3.42Å; Q495-N499 PolarHBondContact O-OD1 3.09Å; Q495-L526 HydrophobicContact CB-CD1 3.68Å; Q495-L526 HydrophobicContact CG-CD1 3.46Å; Q495-L526 VanDerWaalsContact CG-CD1 3.46Å; Q495-Y587 HydrophobicContact CB-CD1 4.31Å; Q495-Y587 HydrophobicContact CB-CE1 4.28Å; Q495-Y587 HydrophobicContact CB-CE2 4.5Å; Q495-Y587 HydrophobicContact CB-CG 4.42Å; Q495-Y587 HydrophobicContact CG-CD2 4.02Å; Q495-Y587 HydrophobicContact CG-CE2 4.28Å; Q495-Y587 HydrophobicContact CG-CG 4.16Å; Q495-N707 PolarHBondContact NE2-O 2.65Å |
| 496 | Q | 90.9 | Very high | 88.1 | Confident | 22 Ų | 22 | 16 Ų | 16 | 10% | 0.103 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.6 | -35.6 | 175.5 | -175.3 | 66.9 | -5.2 | 0 | 0 | 112.4 | E492 K493 N499 H500 D525 L526 I530 | E492-Q496 WeakPolarHBondContact O-CB 3.13Å; E492-Q496 PolarHBondContact O-N 2.94Å; K493-Q496 PolarHBondContact O-N 2.61Å; Q496-N499 PolarHBondContact O-N 3.03Å; Q496-H500 WeakPolarHBondContact O-CB 3.3Å; Q496-H500 PolarHBondContact O-N 3.41Å; Q496-D525 PolarHBondContact NE2-OD1 3.12Å; Q496-L526 HydrophobicContact CB-CB 4.31Å; Q496-I530 HydrophobicContact CB-CD1 3.52Å; Q496-I530 HydrophobicContact CG-CD1 3.72Å |
| 497 | L | 90.5 | Very high | 88 | Confident | 7 Ų | 7 | 16.1 Ų | 16.1 | 4% | 0.037 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 171.5 | 177.4 | 65.7 | 0 | 0 | 0 | 111.5 | L174 K493 L494 Q495 H500 T501 M670 L673 K674 | L174-L497 HydrophobicContact CD2-CD2 4.08Å; K493-L497 PolarHBondContact O-N 3.37Å; L494-L497 PolarHBondContact O-N 3.34Å; Q495-L497 VanDerWaalsContact C-N 3.33Å; Q495-L497 PolarHBondContact O-N 2.79Å; L497-H500 PolarHBondContact O-N 2.95Å; L497-T501 WeakPolarHBondContact O-CB 3.22Å; L497-T501 PolarHBondContact O-N 2.73Å; L497-T501 PolarHBondContact O-OG1 2.76Å; L497-T501 VanDerWaalsContact O-OG1 3.13Å; L497-M670 HydrophobicContact CB-CE 3.66Å; L497-M670 HydrophobicContact CD2-CE 3.83Å; L497-M670 HydrophobicContact CG-CE 4.21Å; L497-L673 HydrophobicContact CD2-CB 3.95Å; L497-L673 HydrophobicContact CD2-CD1 4.18Å; L497-K674 HydrophobicContact CD1-CG 3.95Å |
| 498 | F | 89.5 | Confident | 88 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61 | -47.4 | 173.3 | 172.3 | -92.7 | 0 | 0 | 0 | 111.8 | F120 L494 Q495 H500 T501 M502 F503 F680 R682 N707 | F120-F498 HydrophobicContact CD1-CE2 4.05Å; F120-F498 HydrophobicContact CD1-CZ 4.19Å; F120-F498 HydrophobicContact CE1-CE2 4.38Å; F120-F498 HydrophobicContact CE1-CZ 4.04Å; F120-F498 HydrophobicContact CG-CE2 4.23Å; F120-F498 HydrophobicContact CZ-CZ 4.3Å; L494-F498 PolarHBondContact O-N 2.77Å; L494-F498 VanDerWaalsContact O-N 3.12Å; Q495-F498 WeakPolarHBondContact O-CB 3.42Å; Q495-F498 PolarHBondContact O-N 2.82Å; F498-H500 VanDerWaalsContact C-N 3.33Å; F498-H500 PolarHBondContact O-N 2.95Å; F498-T501 PolarHBondContact O-N 2.7Å; F498-M502 HydrophobicContact CD1-CG 4.3Å; F498-M502 HydrophobicContact CD2-CG 3.7Å; F498-M502 HydrophobicContact CE1-CG 4.21Å; F498-M502 HydrophobicContact CE2-CG 3.58Å; F498-M502 HydrophobicContact CE2-SD 4.29Å; F498-M502 HydrophobicContact CG-CG 4.08Å; F498-M502 HydrophobicContact CZ-CG 3.86Å; F498-M502 WeakPolarHBondContact O-CB 2.98Å; F498-M502 WeakPolarHBondContact O-CG 3.36Å; F498-M502 PolarHBondContact O-N 2.8Å; F498-F503 HydrophobicContact CE1-CZ 4.38Å; F498-F680 HydrophobicContact CB-CD1 4.27Å; F498-F680 HydrophobicContact CB-CE1 3.78Å; F498-F680 HydrophobicContact CB-CZ 4.02Å; F498-F680 HydrophobicContact CD2-CB 4.15Å; F498-F680 AromaticContact CD2-CD1 3.73Å; F498-F680 HydrophobicContact CD2-CD1 3.73Å; F498-F680 AromaticContact CD2-CD2 3.81Å; F498-F680 HydrophobicContact CD2-CD2 3.81Å; F498-F680 AromaticContact CD2-CE1 3.99Å; F498-F680 HydrophobicContact CD2-CE1 3.99Å; F498-F680 HydrophobicContact CD2-CE2 4.07Å; F498-F680 AromaticContact CD2-CG 3.63Å; F498-F680 HydrophobicContact CD2-CG 3.63Å; F498-F680 HydrophobicContact CD2-CZ 4.15Å; F498-F680 HydrophobicContact CE2-CB 4.29Å; F498-F680 HydrophobicContact CE2-CD2 4.37Å; F498-F680 HydrophobicContact CE2-CG 4.21Å; F498-F680 HydrophobicContact CG-CD1 4.49Å; F498-F680 HydrophobicContact CG-CE1 4.4Å; F498-R682 VanDerWaalsContact CB-NH2 3.27Å; F498-N707 WeakPolarHBondContact CE1-O 3.07Å |
| 499 | N | 88.1 | Confident | 87.9 | Confident | 8 Ų | 8 | 19.1 Ų | 19.1 | 4% | 0.043 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 179.9 | -64 | -7.8 | 0 | 0 | 0 | 110.9 | Q495 Q496 F503 L524 | Q495-N499 PolarHBondContact NE2-OD1 3.25Å; Q495-N499 PolarHBondContact O-N 3.42Å; Q495-N499 PolarHBondContact O-OD1 3.09Å; Q496-N499 PolarHBondContact O-N 3.03Å; N499-F503 HydrophobicContact CB-CD2 4.03Å; N499-F503 HydrophobicContact CB-CE2 4.27Å; N499-F503 VanDerWaalsContact O-CB 3.28Å; N499-F503 WeakPolarHBondContact O-CB 3.1Å; N499-F503 VanDerWaalsContact O-CD2 3.24Å; N499-F503 WeakPolarHBondContact O-CD2 3.01Å; N499-F503 PolarHBondContact O-N 2.63Å; N499-L524 PolarHBondContact ND2-O 2.85Å |
| 500 | H | 87.2 | Confident | 87.8 | Confident | 52 Ų | 52 | 19.1 Ų | 19.1 | 24% | 0.241 | 10% | 0.097 | C | C | . | . | I | π-helix | trans | -64.1 | -48.3 | 176.8 | -179.2 | 62.2 | 0 | 0 | 0 | 112.2 | Q496 L497 F498 I504 L505 | Q496-H500 WeakPolarHBondContact O-CB 3.3Å; Q496-H500 PolarHBondContact O-N 3.41Å; L497-H500 PolarHBondContact O-N 2.95Å; F498-H500 VanDerWaalsContact C-N 3.33Å; F498-H500 PolarHBondContact O-N 2.95Å; H500-I504 HydrophobicContact CB-CD1 4.45Å; H500-I504 CarbonylContact O-C 3.59Å; H500-I504 WeakPolarHBondContact O-CA 3.46Å; H500-I504 WeakPolarHBondContact O-CB 3.27Å; H500-I504 PolarHBondContact O-N 2.72Å; H500-L505 PolarHBondContact O-N 2.76Å |
| 501 | T | 87 | Confident | 87.7 | Confident | 35 Ų | 35 | 23.7 Ų | 23.7 | 22% | 0.215 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -70.1 | -41.1 | -179.8 | -57.1 | 0 | 0 | 0 | 0 | 112.9 | L497 F498 P678 | L497-T501 WeakPolarHBondContact O-CB 3.22Å; L497-T501 PolarHBondContact O-N 2.73Å; L497-T501 PolarHBondContact O-OG1 2.76Å; L497-T501 VanDerWaalsContact O-OG1 3.13Å; F498-T501 PolarHBondContact O-N 2.7Å; T501-P678 HydrophobicContact CG2-CG 3.87Å |
| 502 | M | 82.3 | Confident | 87.8 | Confident | 9 Ų | 9 | 30.9 Ų | 30.9 | 4% | 0.044 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -78.6 | -29.5 | -176.2 | -71.3 | -65.4 | -49.1 | 0 | 0 | 114.1 | L119 F120 F498 I715 | L119-M502 HydrophobicContact CB-CE 4.16Å; L119-M502 HydrophobicContact CB-SD 4.24Å; L119-M502 HydrophobicContact CD1-CE 4.03Å; L119-M502 HydrophobicContact CD1-SD 4.15Å; F120-M502 HydrophobicContact CD1-CE 4.07Å; F120-M502 HydrophobicContact CD1-SD 4.4Å; F120-M502 HydrophobicContact CE1-CE 4.25Å; F498-M502 HydrophobicContact CD1-CG 4.3Å; F498-M502 HydrophobicContact CD2-CG 3.7Å; F498-M502 HydrophobicContact CE1-CG 4.21Å; F498-M502 HydrophobicContact CE2-CG 3.58Å; F498-M502 HydrophobicContact CE2-SD 4.29Å; F498-M502 HydrophobicContact CG-CG 4.08Å; F498-M502 HydrophobicContact CZ-CG 3.86Å; F498-M502 WeakPolarHBondContact O-CB 2.98Å; F498-M502 WeakPolarHBondContact O-CG 3.36Å; F498-M502 PolarHBondContact O-N 2.8Å; M502-I715 HydrophobicContact CE-CG2 4.13Å |
| 503 | F | 84.1 | Confident | 87.8 | Confident | 9 Ų | 9 | 31.5 Ų | 31.5 | 4% | 0.039 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -118.5 | -37.1 | -173 | -49.2 | -53.1 | 0 | 0 | 0 | 114 | F498 N499 Q507 F522 L524 E711 I715 | F498-F503 HydrophobicContact CE1-CZ 4.38Å; N499-F503 HydrophobicContact CB-CD2 4.03Å; N499-F503 HydrophobicContact CB-CE2 4.27Å; N499-F503 VanDerWaalsContact O-CB 3.28Å; N499-F503 WeakPolarHBondContact O-CB 3.1Å; N499-F503 VanDerWaalsContact O-CD2 3.24Å; N499-F503 WeakPolarHBondContact O-CD2 3.01Å; N499-F503 PolarHBondContact O-N 2.63Å; F503-Q507 VanDerWaalsContact O-CG 3.24Å; F503-Q507 WeakPolarHBondContact O-CG 3.4Å; F503-Q507 PolarHBondContact O-NE2 3.33Å; F503-F522 HydrophobicContact CB-CD2 3.99Å; F503-F522 HydrophobicContact CB-CE2 4.29Å; F503-F522 AromaticContact CD1-CD2 3.82Å; F503-F522 HydrophobicContact CD1-CD2 3.82Å; F503-F522 AromaticContact CD1-CE2 3.81Å; F503-F522 HydrophobicContact CD1-CE2 3.81Å; F503-F522 HydrophobicContact CD1-CG 4.32Å; F503-F522 HydrophobicContact CD1-CZ 4.29Å; F503-F522 AromaticContact CG-CD2 3.93Å; F503-F522 HydrophobicContact CG-CD2 3.93Å; F503-F522 HydrophobicContact CG-CE2 4.29Å; F503-F522 HydrophobicContact CG-CG 4.49Å; F503-L524 HydrophobicContact CE2-CD1 3.76Å; F503-L524 HydrophobicContact CZ-CD1 4.18Å; F503-E711 VanDerWaalsContact CE1-C 3.49Å; F503-E711 HydrophobicContact CE1-CB 3.93Å; F503-E711 HydrophobicContact CZ-CB 3.67Å; F503-I715 HydrophobicContact CD1-CB 4.11Å; F503-I715 HydrophobicContact CD1-CG2 3.78Å; F503-I715 HydrophobicContact CE1-CB 4.32Å; F503-I715 HydrophobicContact CE1-CG2 3.71Å |
| 504 | I | 85.4 | Confident | 87.7 | Confident | 60 Ų | 60 | 32.5 Ų | 32.5 | 31% | 0.308 | 17% | 0.171 | S | C | . | . | I | π-helix | trans | -89.6 | -62.2 | -174.2 | -54.9 | 178.8 | 0 | 0 | 0 | 109.7 | H500 E506 Q507 D508 | H500-I504 HydrophobicContact CB-CD1 4.45Å; H500-I504 CarbonylContact O-C 3.59Å; H500-I504 WeakPolarHBondContact O-CA 3.46Å; H500-I504 WeakPolarHBondContact O-CB 3.27Å; H500-I504 PolarHBondContact O-N 2.72Å; I504-E506 PolarHBondContact O-N 2.72Å; I504-E506 VanDerWaalsContact O-N 3.14Å; I504-Q507 PolarHBondContact O-N 3.21Å; I504-D508 WeakPolarHBondContact O-CB 3.35Å; I504-D508 VanDerWaalsContact O-CG 3.31Å; I504-D508 PolarHBondContact O-N 2.7Å |
| 505 | L | 85.7 | Confident | 87.6 | Confident | 69 Ų | 69 | 32.9 Ų | 32.9 | 36% | 0.361 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59 | -32.2 | -177.2 | -67.1 | -178.3 | 0 | 0 | 0 | 113.6 | H500 E509 | H500-L505 PolarHBondContact O-N 2.76Å; L505-E509 WeakPolarHBondContact O-CB 3.27Å; L505-E509 PolarHBondContact O-N 2.94Å |
| 506 | E | 82.9 | Confident | 87.3 | Confident | 18 Ų | 18 | 38 Ų | 38 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.3 | -38.6 | 176.9 | -172.3 | 64.5 | -174.9 | 0 | 0 | 111.9 | I504 Y510 P721 R723 | I504-E506 PolarHBondContact O-N 2.72Å; I504-E506 VanDerWaalsContact O-N 3.14Å; E506-Y510 HydrophobicContact CG-CE1 4Å; E506-Y510 HydrophobicContact CG-CE2 4.28Å; E506-Y510 VanDerWaalsContact CG-OH 3.31Å; E506-Y510 WeakPolarHBondContact CG-OH 3.4Å; E506-Y510 WeakPolarHBondContact O-CD1 3.41Å; E506-Y510 WeakPolarHBondContact O-CE1 3.2Å; E506-Y510 VanDerWaalsContact O-CG 3.24Å; E506-Y510 PolarHBondContact O-N 2.65Å; E506-Y510 VanDerWaalsContact OE1-CE1 3.23Å; E506-Y510 WeakPolarHBondContact OE1-CE1 3.49Å; E506-Y510 VanDerWaalsContact OE1-CZ 3.26Å; E506-Y510 PolarHBondContact OE1-OH 2.93Å; E506-P721 WeakPolarHBondContact OE1-CA 3.41Å; E506-R723 IonicContact OE2-CZ 3.92Å; E506-R723 IonicContact OE2-NH1 3.22Å; E506-R723 PolarHBondContact OE2-NH1 3.48Å |
| 507 | Q | 87.2 | Confident | 87 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -79.4 | -31.3 | 175.8 | -65.5 | -172.7 | 95.9 | 0 | 0 | 112.6 | F503 I504 E509 Y510 T511 W517 F519 I520 I715 | F503-Q507 VanDerWaalsContact O-CG 3.24Å; F503-Q507 WeakPolarHBondContact O-CG 3.4Å; F503-Q507 PolarHBondContact O-NE2 3.33Å; I504-Q507 PolarHBondContact O-N 3.21Å; Q507-E509 VanDerWaalsContact C-N 3.31Å; Q507-Y510 PolarHBondContact O-N 3.22Å; Q507-T511 WeakPolarHBondContact O-CB 3.15Å; Q507-T511 PolarHBondContact O-N 2.75Å; Q507-T511 PolarHBondContact O-OG1 2.69Å; Q507-W517 HydrophobicContact CG-CZ2 4.3Å; Q507-F519 HydrophobicContact CB-CD2 4.04Å; Q507-F519 HydrophobicContact CB-CE2 4.04Å; Q507-I520 PolarHBondContact NE2-O 3.1Å; Q507-I715 HydrophobicContact CG-CD1 4.25Å |
| 508 | D | 86.2 | Confident | 86.7 | Confident | 60 Ų | 60 | 47.3 Ų | 47.3 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 169.9 | -71.8 | -14.5 | 0 | 0 | 0 | 110.6 | I504 T511 R512 | I504-D508 WeakPolarHBondContact O-CB 3.35Å; I504-D508 VanDerWaalsContact O-CG 3.31Å; I504-D508 PolarHBondContact O-N 2.7Å; D508-T511 PolarHBondContact O-N 2.79Å; D508-R512 WeakPolarHBondContact O-CB 3.47Å; D508-R512 PolarHBondContact O-N 2.85Å |
| 509 | E | 86.5 | Confident | 86.3 | Confident | 12 Ų | 12 | 53.2 Ų | 53.2 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 174.7 | -177.2 | 77.9 | 157.4 | 0 | 0 | 111.7 | L505 Q507 T511 R512 E513 R723 K772 F774 | L505-E509 WeakPolarHBondContact O-CB 3.27Å; L505-E509 PolarHBondContact O-N 2.94Å; Q507-E509 VanDerWaalsContact C-N 3.31Å; E509-T511 VanDerWaalsContact C-N 3.3Å; E509-T511 PolarHBondContact O-N 2.68Å; E509-R512 PolarHBondContact O-N 3.44Å; E509-R512 IonicContact OE2-CZ 2.76Å; E509-R512 IonicContact OE2-NH1 3.58Å; E509-R512 PolarHBondContact OE2-NH1 3.07Å; E509-E513 WeakPolarHBondContact O-CB 3.2Å; E509-E513 PolarHBondContact O-N 3.47Å; E509-R723 IonicContact OE1-NE 3.42Å; E509-K772 IonicContact OE1-NZ 2.93Å; E509-K772 PolarHBondContact OE1-NZ 3.47Å; E509-F774 HydrophobicContact CG-CE1 4.17Å; E509-F774 HydrophobicContact CG-CZ 3.95Å |
| 510 | Y | 89.9 | Confident | 85.9 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60 | -42 | 174.8 | -63.6 | -8.4 | 0 | 0 | 0 | 111.7 | E506 Q507 G514 I515 W517 F720 F774 | E506-Y510 HydrophobicContact CG-CE1 4Å; E506-Y510 HydrophobicContact CG-CE2 4.28Å; E506-Y510 VanDerWaalsContact CG-OH 3.31Å; E506-Y510 WeakPolarHBondContact CG-OH 3.4Å; E506-Y510 WeakPolarHBondContact O-CD1 3.41Å; E506-Y510 WeakPolarHBondContact O-CE1 3.2Å; E506-Y510 VanDerWaalsContact O-CG 3.24Å; E506-Y510 PolarHBondContact O-N 2.65Å; E506-Y510 VanDerWaalsContact OE1-CE1 3.23Å; E506-Y510 WeakPolarHBondContact OE1-CE1 3.49Å; E506-Y510 VanDerWaalsContact OE1-CZ 3.26Å; E506-Y510 PolarHBondContact OE1-OH 2.93Å; Q507-Y510 PolarHBondContact O-N 3.22Å; Y510-G514 PolarHBondContact O-N 3.21Å; Y510-G514 VanDerWaalsContact O-N 3.13Å; Y510-I515 HydrophobicContact CD1-CD1 3.68Å; Y510-I515 HydrophobicContact CD2-CD1 4.18Å; Y510-I515 HydrophobicContact CE1-CD1 4.4Å; Y510-I515 HydrophobicContact CG-CD1 3.59Å; Y510-I515 HydrophobicContact CG-CG1 4.14Å; Y510-I515 PolarHBondContact O-N 2.85Å; Y510-W517 HydrophobicContact CD2-CB 4.38Å; Y510-W517 AromaticContact CD2-CD1 3.96Å; Y510-W517 AromaticContact CD2-CD2 3.63Å; Y510-W517 HydrophobicContact CD2-CD2 3.63Å; Y510-W517 AromaticContact CD2-CE2 3.82Å; Y510-W517 HydrophobicContact CD2-CE3 4.1Å; Y510-W517 AromaticContact CD2-CG 3.74Å; Y510-W517 HydrophobicContact CD2-CG 3.74Å; Y510-W517 HydrophobicContact CD2-CZ2 4.42Å; Y510-W517 HydrophobicContact CE2-CD2 4.11Å; Y510-W517 HydrophobicContact CE2-CE3 4.23Å; Y510-W517 HydrophobicContact CE2-CH2 4.39Å; Y510-W517 HydrophobicContact CE2-CZ2 4.28Å; Y510-W517 HydrophobicContact CE2-CZ3 4.38Å; Y510-W517 HydrophobicContact CG-CG 4.48Å; Y510-F720 PolarHBondContact OH-N 2.7Å; Y510-F774 AromaticContact CD1-CD1 3.91Å; Y510-F774 HydrophobicContact CD1-CD1 3.91Å; Y510-F774 AromaticContact CD1-CE1 3.64Å; Y510-F774 HydrophobicContact CD1-CE1 3.64Å; Y510-F774 HydrophobicContact CD1-CZ 4.39Å; Y510-F774 AromaticContact CE1-CD1 3.74Å; Y510-F774 HydrophobicContact CE1-CD1 3.74Å; Y510-F774 AromaticContact CE1-CE1 3.74Å; Y510-F774 HydrophobicContact CE1-CE1 3.74Å |
| 511 | T | 88.6 | Confident | 85.4 | Confident | 97 Ų | 97 | 57.8 Ų | 57.8 | 60% | 0.595 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.5 | -43.5 | 177 | -51.7 | 0 | 0 | 0 | 0 | 111.1 | Q507 D508 E509 E513 G514 | Q507-T511 WeakPolarHBondContact O-CB 3.15Å; Q507-T511 PolarHBondContact O-N 2.75Å; Q507-T511 PolarHBondContact O-OG1 2.69Å; D508-T511 PolarHBondContact O-N 2.79Å; E509-T511 VanDerWaalsContact C-N 3.3Å; E509-T511 PolarHBondContact O-N 2.68Å; T511-E513 PolarHBondContact O-N 2.91Å; T511-G514 PolarHBondContact O-N 2.76Å |
| 512 | R | 90 | Very high | 84.8 | Confident | 159 Ų | 159 | 57.6 Ų | 57.6 | 60% | 0.6 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.1 | -37.1 | 178.1 | -178.6 | -174.1 | -61 | 135.1 | 3.6 | 113 | D508 E509 G514 | D508-R512 WeakPolarHBondContact O-CB 3.47Å; D508-R512 PolarHBondContact O-N 2.85Å; E509-R512 PolarHBondContact O-N 3.44Å; E509-R512 IonicContact OE2-CZ 2.76Å; E509-R512 IonicContact OE2-NH1 3.58Å; E509-R512 PolarHBondContact OE2-NH1 3.07Å; R512-G514 VanDerWaalsContact C-N 3.33Å |
| 513 | E | 91.5 | Very high | 84.1 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.5 | 177.7 | -78.4 | -79.6 | 153.6 | 0 | 0 | 113.5 | E509 T511 I515 G769 H770 S771 K772 F774 | E509-E513 WeakPolarHBondContact O-CB 3.2Å; E509-E513 PolarHBondContact O-N 3.47Å; T511-E513 PolarHBondContact O-N 2.91Å; E513-I515 VanDerWaalsContact C-N 3.32Å; E513-I515 HydrophobicContact CB-CG2 4.48Å; E513-I515 PolarHBondContact O-N 3.3Å; E513-G769 CarbonylContact O-C 3.05Å; E513-G769 VanDerWaalsContact O-C 3.31Å; E513-G769 WeakPolarHBondContact O-CA 3.46Å; E513-H770 PolarHBondContact O-CD2 3.35Å; E513-H770 VanDerWaalsContact O-CD2 3.28Å; E513-H770 PolarHBondContact O-N 3.48Å; E513-H770 PolarHBondContact OE2-N 2.92Å; E513-S771 PolarHBondContact OE1-OG 3.5Å; E513-S771 PolarHBondContact OE2-N 3.27Å; E513-K772 HydrophobicContact CG-CD 4.37Å; E513-K772 WeakPolarHBondContact OE1-CE 3.34Å; E513-K772 PolarHBondContact OE2-N 3.26Å; E513-F774 HydrophobicContact CB-CE2 3.59Å; E513-F774 HydrophobicContact CB-CZ 3.91Å; E513-F774 HydrophobicContact CG-CE2 3.71Å; E513-F774 HydrophobicContact CG-CZ 3.8Å |
| 514 | G | 87.4 | Confident | 83.5 | Confident | 41 Ų | 41 | 62 Ų | 62 | 42% | 0.423 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 27.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y510 T511 R512 | Y510-G514 PolarHBondContact O-N 3.21Å; Y510-G514 VanDerWaalsContact O-N 3.13Å; T511-G514 PolarHBondContact O-N 2.76Å; R512-G514 VanDerWaalsContact C-N 3.33Å |
| 515 | I | 88.7 | Confident | 83.4 | Confident | 13 Ų | 13 | 63.1 Ų | 63.1 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | trans | -77.8 | 150.9 | 175.9 | 72.7 | 170.1 | 0 | 0 | 0 | 110.6 | Y510 E513 W517 F720 C767 F774 | Y510-I515 HydrophobicContact CD1-CD1 3.68Å; Y510-I515 HydrophobicContact CD2-CD1 4.18Å; Y510-I515 HydrophobicContact CE1-CD1 4.4Å; Y510-I515 HydrophobicContact CG-CD1 3.59Å; Y510-I515 HydrophobicContact CG-CG1 4.14Å; Y510-I515 PolarHBondContact O-N 2.85Å; E513-I515 VanDerWaalsContact C-N 3.32Å; E513-I515 HydrophobicContact CB-CG2 4.48Å; E513-I515 PolarHBondContact O-N 3.3Å; I515-W517 HydrophobicContact CG1-CB 4.27Å; I515-W517 PolarHBondContact O-N 3.43Å; I515-F720 HydrophobicContact CD1-CD2 4.13Å; I515-C767 HydrophobicContact CB-CB 4.26Å; I515-C767 HydrophobicContact CD1-CB 4.45Å; I515-C767 HydrophobicContact CG2-CB 4.2Å; I515-F774 HydrophobicContact CD1-CD1 4.46Å; I515-F774 HydrophobicContact CD1-CG 4.24Å; I515-F774 HydrophobicContact CG2-CD2 3.81Å; I515-F774 HydrophobicContact CG2-CE2 4.14Å; I515-F774 HydrophobicContact CG2-CG 4.49Å | ||
| 516 | P | 84.4 | Confident | 83.5 | Confident | 111 Ų | 111 | 60.4 Ų | 60.4 | 72% | 0.721 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -68.9 | 96.4 | 177 | 27.9 | -34.6 | 0 | 0 | 0 | 110.7 | ||
| 517 | W | 84.8 | Confident | 83.8 | Confident | 53 Ų | 53 | 62.7 Ų | 62.7 | 20% | 0.201 | 34% | 0.337 | C | S | . | . | trans | -139.4 | 131.2 | -178.8 | 180 | -99.2 | 0 | 0 | 0 | 111 | Q507 Y510 I515 I520 I715 R718 | Q507-W517 HydrophobicContact CG-CZ2 4.3Å; Y510-W517 HydrophobicContact CD2-CB 4.38Å; Y510-W517 AromaticContact CD2-CD1 3.96Å; Y510-W517 AromaticContact CD2-CD2 3.63Å; Y510-W517 HydrophobicContact CD2-CD2 3.63Å; Y510-W517 AromaticContact CD2-CE2 3.82Å; Y510-W517 HydrophobicContact CD2-CE3 4.1Å; Y510-W517 AromaticContact CD2-CG 3.74Å; Y510-W517 HydrophobicContact CD2-CG 3.74Å; Y510-W517 HydrophobicContact CD2-CZ2 4.42Å; Y510-W517 HydrophobicContact CE2-CD2 4.11Å; Y510-W517 HydrophobicContact CE2-CE3 4.23Å; Y510-W517 HydrophobicContact CE2-CH2 4.39Å; Y510-W517 HydrophobicContact CE2-CZ2 4.28Å; Y510-W517 HydrophobicContact CE2-CZ3 4.38Å; Y510-W517 HydrophobicContact CG-CG 4.48Å; I515-W517 HydrophobicContact CG1-CB 4.27Å; I515-W517 PolarHBondContact O-N 3.43Å; W517-I520 HydrophobicContact CH2-CD1 4.02Å; W517-I520 HydrophobicContact CZ2-CD1 3.85Å; W517-I520 HydrophobicContact CZ2-CG1 4.28Å; W517-I715 HydrophobicContact CH2-CD1 3.97Å; W517-I715 HydrophobicContact CZ2-CD1 3.69Å; W517-R718 HydrophobicContact CH2-CB 3.79Å; W517-R718 HydrophobicContact CZ3-CB 4.19Å | ||
| 518 | E | 82.4 | Confident | 84 | Confident | 172 Ų | 172 | 64.7 Ų | 64.7 | 80% | 0.804 | 35% | 0.35 | S | S | * | . | trans | -90.2 | 126.1 | 170.5 | -65.9 | 177.4 | 166.7 | 0 | 0 | 108.8 | I520 | E518-I520 PolarHBondContact O-N 2.9Š| ||
| 519 | F | 82.8 | Confident | 84.2 | Confident | 125 Ų | 125 | 61.8 Ų | 61.8 | 55% | 0.548 | 34% | 0.335 | S | S | . | . | trans | -64.6 | 119.5 | -178.8 | -174.8 | -86.7 | 0 | 0 | 0 | 111.1 | Q507 D521 | Q507-F519 HydrophobicContact CB-CD2 4.04Å; Q507-F519 HydrophobicContact CB-CE2 4.04Å; F519-D521 HydrophobicContact CE1-CB 4.16Å | ||
| 520 | I | 78.7 | Confident | 84.5 | Confident | 31 Ų | 31 | 61.3 Ų | 61.3 | 16% | 0.159 | 33% | 0.333 | C | S | . | . | trans | -99.2 | 107.4 | 176.5 | -57.8 | 171.6 | 0 | 0 | 0 | 107.8 | Q507 W517 E518 F522 | Q507-I520 PolarHBondContact NE2-O 3.1Å; W517-I520 HydrophobicContact CH2-CD1 4.02Å; W517-I520 HydrophobicContact CZ2-CD1 3.85Å; W517-I520 HydrophobicContact CZ2-CG1 4.28Å; E518-I520 PolarHBondContact O-N 2.9Å; I520-F522 HydrophobicContact CB-CE2 4.08Å; I520-F522 HydrophobicContact CB-CZ 4.22Å; I520-F522 HydrophobicContact CG2-CD1 4.31Å; I520-F522 HydrophobicContact CG2-CD2 4.21Å; I520-F522 HydrophobicContact CG2-CE1 3.99Å; I520-F522 HydrophobicContact CG2-CE2 3.84Å; I520-F522 HydrophobicContact CG2-CG 4.44Å; I520-F522 HydrophobicContact CG2-CZ 3.73Å; I520-F522 VanDerWaalsContact O-CD2 3.32Å; I520-F522 WeakPolarHBondContact O-CD2 3.01Å; I520-F522 WeakPolarHBondContact O-CE2 3.34Å | ||
| 521 | D | 77.8 | Confident | 84.6 | Confident | 125 Ų | 125 | 62.6 Ų | 62.6 | 67% | 0.668 | 34% | 0.34 | S | S | * | . | trans | -72.8 | 133.6 | 160.5 | -174 | 10.3 | 0 | 0 | 0 | 109.3 | F519 G523 | F519-D521 HydrophobicContact CE1-CB 4.16Å; D521-G523 PolarHBondContact OD1-N 3.3Å | ||
| 522 | F | 72.4 | Confident | 84.7 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 13% | 0.132 | 31% | 0.312 | C | S | . | . | trans | -101.3 | -6 | 176.8 | -66.7 | -88.9 | 0 | 0 | 0 | 112.5 | F503 I520 L524 E711 R714 I715 | F503-F522 HydrophobicContact CB-CD2 3.99Å; F503-F522 HydrophobicContact CB-CE2 4.29Å; F503-F522 AromaticContact CD1-CD2 3.82Å; F503-F522 HydrophobicContact CD1-CD2 3.82Å; F503-F522 AromaticContact CD1-CE2 3.81Å; F503-F522 HydrophobicContact CD1-CE2 3.81Å; F503-F522 HydrophobicContact CD1-CG 4.32Å; F503-F522 HydrophobicContact CD1-CZ 4.29Å; F503-F522 AromaticContact CG-CD2 3.93Å; F503-F522 HydrophobicContact CG-CD2 3.93Å; F503-F522 HydrophobicContact CG-CE2 4.29Å; F503-F522 HydrophobicContact CG-CG 4.49Å; I520-F522 HydrophobicContact CB-CE2 4.08Å; I520-F522 HydrophobicContact CB-CZ 4.22Å; I520-F522 HydrophobicContact CG2-CD1 4.31Å; I520-F522 HydrophobicContact CG2-CD2 4.21Å; I520-F522 HydrophobicContact CG2-CE1 3.99Å; I520-F522 HydrophobicContact CG2-CE2 3.84Å; I520-F522 HydrophobicContact CG2-CG 4.44Å; I520-F522 HydrophobicContact CG2-CZ 3.73Å; I520-F522 VanDerWaalsContact O-CD2 3.32Å; I520-F522 WeakPolarHBondContact O-CD2 3.01Å; I520-F522 WeakPolarHBondContact O-CE2 3.34Å; F522-L524 HydrophobicContact CB-CG 4.33Å; F522-L524 PolarHBondContact O-N 3.12Å; F522-E711 HydrophobicContact CB-CG 4.3Å; F522-E711 HydrophobicContact CD1-CB 3.73Å; F522-E711 HydrophobicContact CD1-CG 3.72Å; F522-E711 HydrophobicContact CE1-CB 4.23Å; F522-E711 HydrophobicContact CG-CB 4.37Å; F522-E711 HydrophobicContact CG-CG 4.4Å; F522-R714 HydrophobicContact CE1-CB 4.18Å; F522-R714 HydrophobicContact CE1-CG 4.21Å; F522-I715 HydrophobicContact CE2-CB 4.38Å; F522-I715 HydrophobicContact CE2-CD1 4.24Å; F522-I715 HydrophobicContact CZ-CB 3.9Å; F522-I715 HydrophobicContact CZ-CD1 4.15Å; F522-I715 HydrophobicContact CZ-CG1 4.47Å | ||
| 523 | G | 68.7 | Low | 84.9 | Confident | 62 Ų | 62 | 50.5 Ų | 50.5 | 64% | 0.639 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 69.9 | 11.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | D521 D525 | D521-G523 PolarHBondContact OD1-N 3.3Å; G523-D525 PolarHBondContact O-N 2.84Å |
| 524 | L | 72.1 | Confident | 84.7 | Confident | 49 Ų | 49 | 51.3 Ų | 51.3 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | trans | -92.5 | 24.7 | -174.5 | -65.1 | -177.7 | 0 | 0 | 0 | 113.8 | N499 F503 F522 L526 E711 | N499-L524 PolarHBondContact ND2-O 2.85Å; F503-L524 HydrophobicContact CE2-CD1 3.76Å; F503-L524 HydrophobicContact CZ-CD1 4.18Å; F522-L524 HydrophobicContact CB-CG 4.33Å; F522-L524 PolarHBondContact O-N 3.12Å; L524-L526 PolarHBondContact O-N 3.44Å; L524-E711 HydrophobicContact CD1-CB 3.87Å; L524-E711 HydrophobicContact CD1-CG 3.8Å | ||
| 525 | D | 82 | Confident | 84.5 | Confident | 83 Ų | 83 | 56 Ų | 56 | 44% | 0.444 | 29% | 0.292 | S | S | . | . | trans | -73.4 | 120.3 | 178.6 | -174.9 | 26.3 | 0 | 0 | 0 | 112.1 | Q496 G523 Q527 | Q496-D525 PolarHBondContact NE2-OD1 3.12Å; G523-D525 PolarHBondContact O-N 2.84Å; D525-Q527 WeakPolarHBondContact OD1-CB 2.99Å; D525-Q527 PolarHBondContact OD1-N 3.08Å | ||
| 526 | L | 89.1 | Confident | 83.5 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 7% | 0.068 | 32% | 0.324 | C | S | . | . | trans | -100 | -1.6 | 176.2 | -52.3 | -178.1 | 0 | 0 | 0 | 112.7 | E492 Q495 Q496 L524 P528 T529 I530 Y587 | E492-L526 HydrophobicContact CG-CB 4.2Å; E492-L526 HydrophobicContact CG-CD1 4.28Å; Q495-L526 HydrophobicContact CB-CD1 3.68Å; Q495-L526 HydrophobicContact CG-CD1 3.46Å; Q495-L526 VanDerWaalsContact CG-CD1 3.46Å; Q496-L526 HydrophobicContact CB-CB 4.31Å; L524-L526 PolarHBondContact O-N 3.44Å; L526-P528 VanDerWaalsContact C-CD 3.42Å; L526-P528 VanDerWaalsContact C-N 3.28Å; L526-T529 PolarHBondContact O-N 3.34Å; L526-I530 HydrophobicContact CB-CD1 4.4Å; L526-I530 PolarHBondContact O-N 2.88Å; L526-I530 VanDerWaalsContact O-N 3.1Å; L526-Y587 HydrophobicContact CD1-CD1 4.34Å; L526-Y587 HydrophobicContact CD1-CG 4.12Å | ||
| 527 | Q | 89.4 | Confident | 83.3 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 30% | 0.304 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -53.3 | -38.2 | 179.1 | -165.2 | 59.4 | 46.8 | 0 | 0 | 112.9 | D525 T529 I530 D531 | D525-Q527 WeakPolarHBondContact OD1-CB 2.99Å; D525-Q527 PolarHBondContact OD1-N 3.08Å; Q527-T529 VanDerWaalsContact C-N 3.35Å; Q527-T529 PolarHBondContact O-N 2.83Å; Q527-I530 PolarHBondContact O-N 3.25Å; Q527-D531 PolarHBondContact NE2-OD1 2.71Å; Q527-D531 VanDerWaalsContact O-CB 3.24Å; Q527-D531 WeakPolarHBondContact O-CB 3.39Å; Q527-D531 PolarHBondContact O-N 3.06Å |
| 528 | P | 90.5 | Very high | 83.5 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 29% | 0.286 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -35 | 174.1 | -25 | 35.7 | 0 | 0 | 0 | 114.3 | L526 L532 H568 | L526-P528 VanDerWaalsContact C-CD 3.42Å; L526-P528 VanDerWaalsContact C-N 3.28Å; P528-L532 WeakPolarHBondContact O-CB 3Å; P528-L532 PolarHBondContact O-N 2.71Å; P528-H568 PolarHBondContact O-CE1 3.15Å; P528-H568 VanDerWaalsContact O-CE1 3.25Å |
| 529 | T | 91.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.5 | -40.7 | 175.7 | -40 | 0 | 0 | 0 | 0 | 110.7 | E492 L526 Q527 I533 K570 V584 I585 | E492-T529 HydrophobicContact CG-CG2 4.17Å; E492-T529 VanDerWaalsContact OE1-CB 3.27Å; E492-T529 WeakPolarHBondContact OE1-CB 3.47Å; E492-T529 WeakPolarHBondContact OE1-CG2 2.92Å; E492-T529 PolarHBondContact OE1-OG1 3.15Å; E492-T529 VanDerWaalsContact OE1-OG1 3.08Å; L526-T529 PolarHBondContact O-N 3.34Å; Q527-T529 VanDerWaalsContact C-N 3.35Å; Q527-T529 PolarHBondContact O-N 2.83Å; T529-I533 WeakPolarHBondContact O-CG1 3.03Å; T529-I533 PolarHBondContact O-N 2.69Å; T529-K570 WeakPolarHBondContact OG1-CE 3.34Å; T529-V584 HydrophobicContact CG2-CG1 4.12Å; T529-I585 WeakPolarHBondContact CG2-O 2.99Å |
| 530 | I | 92.1 | Very high | 84.5 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67 | -43.3 | 179 | -66.2 | 164.6 | 0 | 0 | 0 | 110.5 | Y489 E492 K493 Q496 L526 Q527 I533 E534 | Y489-I530 HydrophobicContact CE2-CG2 4.36Å; E492-I530 HydrophobicContact CB-CG1 4.33Å; E492-I530 HydrophobicContact CG-CD1 4.4Å; E492-I530 HydrophobicContact CG-CG1 3.85Å; K493-I530 HydrophobicContact CD-CG2 4.4Å; K493-I530 VanDerWaalsContact CE-CG2 3.47Å; K493-I530 HydrophobicContact CG-CD1 3.85Å; K493-I530 HydrophobicContact CG-CG1 4.07Å; K493-I530 HydrophobicContact CG-CG2 4.06Å; Q496-I530 HydrophobicContact CB-CD1 3.52Å; Q496-I530 HydrophobicContact CG-CD1 3.72Å; L526-I530 HydrophobicContact CB-CD1 4.4Å; L526-I530 PolarHBondContact O-N 2.88Å; L526-I530 VanDerWaalsContact O-N 3.1Å; Q527-I530 PolarHBondContact O-N 3.25Å; I530-I533 PolarHBondContact O-N 3.32Å; I530-I533 VanDerWaalsContact O-N 3.1Å; I530-E534 HydrophobicContact CG2-CG 4.22Å; I530-E534 WeakPolarHBondContact CG2-OE1 3.02Å; I530-E534 PolarHBondContact O-N 2.87Å |
| 531 | D | 91 | Very high | 85 | Confident | 28 Ų | 28 | 44.1 Ų | 44.1 | 15% | 0.15 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 179.5 | -75.5 | -28.1 | 0 | 0 | 0 | 112.2 | Q527 I533 E534 R535 | Q527-D531 PolarHBondContact NE2-OD1 2.71Å; Q527-D531 VanDerWaalsContact O-CB 3.24Å; Q527-D531 WeakPolarHBondContact O-CB 3.39Å; Q527-D531 PolarHBondContact O-N 3.06Å; D531-I533 PolarHBondContact O-N 2.63Å; D531-E534 PolarHBondContact O-N 3.08Å; D531-R535 HydrophobicContact CB-CG 3.99Å; D531-R535 VanDerWaalsContact CG-NH2 3.34Å; D531-R535 WeakPolarHBondContact O-CB 3.45Å; D531-R535 PolarHBondContact O-N 2.62Å; D531-R535 IonicContact OD1-CZ 2.65Å; D531-R535 IonicContact OD1-NE 2.7Å; D531-R535 PolarHBondContact OD1-NE 2.68Å; D531-R535 IonicContact OD1-NH2 3.98Å; D531-R535 PolarHBondContact OD1-NH2 3.38Å; D531-R535 IonicContact OD2-CZ 3.85Å; D531-R535 IonicContact OD2-NE 3.66Å; D531-R535 PolarHBondContact OD2-NE 2.69Å; D531-R535 IonicContact OD2-NH2 3.9Å; D531-R535 PolarHBondContact OD2-NH2 2.6Å |
| 532 | L | 92.2 | Very high | 85.7 | Confident | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.4 | -33.9 | 173.2 | 175.3 | 65.2 | 0 | 0 | 0 | 112.1 | P528 G538 I539 Q565 H568 K570 L571 V584 | P528-L532 WeakPolarHBondContact O-CB 3Å; P528-L532 PolarHBondContact O-N 2.71Å; L532-G538 CarbonylContact O-C 3.17Å; L532-G538 WeakPolarHBondContact O-CA 3.39Å; L532-I539 HydrophobicContact CD2-CD1 4.28Å; L532-I539 HydrophobicContact CG-CD1 3.96Å; L532-I539 HydrophobicContact CG-CG1 4.41Å; L532-I539 PolarHBondContact O-N 3.41Å; L532-Q565 HydrophobicContact CD1-CB 4.05Å; L532-Q565 HydrophobicContact CD1-CG 3.89Å; L532-H568 HydrophobicContact CD1-CB 4.34Å; L532-K570 HydrophobicContact CD2-CB 4.1Å; L532-L571 HydrophobicContact CD2-CB 4.25Å; L532-V584 HydrophobicContact CD2-CG1 4.26Å |
| 533 | I | 92.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -83.9 | -42.8 | -179.1 | -62.8 | 165.6 | 0 | 0 | 0 | 111.1 | L485 Y489 T529 I530 D531 I539 F540 | L485-I533 HydrophobicContact CD1-CD1 4.23Å; Y489-I533 HydrophobicContact CD2-CB 3.91Å; Y489-I533 HydrophobicContact CD2-CD1 3.99Å; Y489-I533 HydrophobicContact CD2-CG2 3.51Å; Y489-I533 HydrophobicContact CE2-CB 4.29Å; Y489-I533 HydrophobicContact CE2-CG2 3.92Å; Y489-I533 HydrophobicContact CG-CD1 4.5Å; Y489-I533 HydrophobicContact CG-CG2 4.01Å; T529-I533 WeakPolarHBondContact O-CG1 3.03Å; T529-I533 PolarHBondContact O-N 2.69Å; I530-I533 PolarHBondContact O-N 3.32Å; I530-I533 VanDerWaalsContact O-N 3.1Å; D531-I533 PolarHBondContact O-N 2.63Å; I533-I539 HydrophobicContact CG1-CD1 4.03Å; I533-I539 PolarHBondContact O-N 2.78Å; I533-F540 HydrophobicContact CG2-CD1 4.17Å; I533-F540 HydrophobicContact CG2-CD2 3.88Å; I533-F540 HydrophobicContact CG2-CE1 3.99Å; I533-F540 HydrophobicContact CG2-CE2 3.68Å; I533-F540 HydrophobicContact CG2-CG 4.13Å; I533-F540 HydrophobicContact CG2-CZ 3.74Å; I533-F540 PolarHBondContact O-N 2.85Å |
| 534 | E | 88.5 | Confident | 87.5 | Confident | 29 Ų | 29 | 34.6 Ų | 34.6 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -115.4 | -14.9 | -163.6 | 87.5 | 170.9 | 150.6 | 0 | 0 | 118.7 | Y489 K493 I530 D531 K663 | Y489-E534 HydrophobicContact CE2-CB 4Å; Y489-E534 PolarHBondContact OH-OE2 2.89Å; K493-E534 WeakPolarHBondContact CE-OE1 3.04Å; K493-E534 IonicContact NZ-OE1 2.65Å; K493-E534 PolarHBondContact NZ-OE1 3.03Å; K493-E534 IonicContact NZ-OE2 3.21Å; K493-E534 PolarHBondContact NZ-OE2 2.97Å; I530-E534 HydrophobicContact CG2-CG 4.22Å; I530-E534 WeakPolarHBondContact CG2-OE1 3.02Å; I530-E534 PolarHBondContact O-N 2.87Å; D531-E534 PolarHBondContact O-N 3.08Å; E534-K663 HydrophobicContact CB-CD 4.33Å; E534-K663 PolarHBondContact O-NZ 3.4Å; E534-K663 WeakPolarHBondContact OE2-CE 2.82Å |
| 535 | R | 82.3 | Confident | 88.1 | Confident | 140 Ų | 140 | 36.4 Ų | 36.4 | 53% | 0.528 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -67.9 | 166.2 | 179.3 | -79.5 | -165.4 | -173.1 | -166.3 | 15.1 | 111.5 | D531 M537 G538 | D531-R535 HydrophobicContact CB-CG 3.99Å; D531-R535 VanDerWaalsContact CG-NH2 3.34Å; D531-R535 WeakPolarHBondContact O-CB 3.45Å; D531-R535 PolarHBondContact O-N 2.62Å; D531-R535 IonicContact OD1-CZ 2.65Å; D531-R535 IonicContact OD1-NE 2.7Å; D531-R535 PolarHBondContact OD1-NE 2.68Å; D531-R535 IonicContact OD1-NH2 3.98Å; D531-R535 PolarHBondContact OD1-NH2 3.38Å; D531-R535 IonicContact OD2-CZ 3.85Å; D531-R535 IonicContact OD2-NE 3.66Å; D531-R535 PolarHBondContact OD2-NE 2.69Å; D531-R535 IonicContact OD2-NH2 3.9Å; D531-R535 PolarHBondContact OD2-NH2 2.6Å; R535-M537 PolarHBondContact O-N 2.64Å; R535-G538 WeakPolarHBondContact O-CA 3.45Å; R535-G538 PolarHBondContact O-N 3.47Å |
| 536 | P | 69.2 | Low | 88.4 | Confident | 115 Ų | 115 | 33.3 Ų | 33.3 | 75% | 0.747 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 137.2 | 157.6 | -23.5 | 34.6 | 0 | 0 | 0 | 109.9 | G538 | P536-G538 PolarHBondContact O-N 2.82Š|
| 537 | M | 79.8 | Confident | 88.1 | Confident | 111 Ų | 111 | 33.2 Ų | 33.2 | 55% | 0.547 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 8.1 | -167 | -53.2 | -63.2 | -162.3 | 0 | 0 | 116.3 | R535 L542 Q565 | R535-M537 PolarHBondContact O-N 2.64Å; M537-L542 WeakPolarHBondContact O-CD1 3.13Å; M537-L542 HydrophobicContact SD-CD2 4.2Å; M537-Q565 PolarHBondContact O-NE2 2.87Å |
| 538 | G | 89.2 | Confident | 87.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -81.1 | 170.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L532 R535 P536 F540 A541 L542 | L532-G538 CarbonylContact O-C 3.17Å; L532-G538 WeakPolarHBondContact O-CA 3.39Å; R535-G538 WeakPolarHBondContact O-CA 3.45Å; R535-G538 PolarHBondContact O-N 3.47Å; P536-G538 PolarHBondContact O-N 2.82Å; G538-F540 VanDerWaalsContact C-N 3.33Å; G538-F540 PolarHBondContact O-N 3.14Å; G538-A541 PolarHBondContact O-N 2.8Å; G538-L542 WeakPolarHBondContact O-CG 3.44Å; G538-L542 PolarHBondContact O-N 2.74Å |
| 539 | I | 93.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -50.8 | -47 | -174 | -66.3 | 163.5 | 0 | 0 | 0 | 112.4 | L485 L532 I533 L543 F557 L561 F582 V584 W598 | L485-I539 HydrophobicContact CD2-CG2 3.88Å; L532-I539 HydrophobicContact CD2-CD1 4.28Å; L532-I539 HydrophobicContact CG-CD1 3.96Å; L532-I539 HydrophobicContact CG-CG1 4.41Å; L532-I539 PolarHBondContact O-N 3.41Å; I533-I539 HydrophobicContact CG1-CD1 4.03Å; I533-I539 PolarHBondContact O-N 2.78Å; I539-L543 VanDerWaalsContact O-CB 3.27Å; I539-L543 WeakPolarHBondContact O-CB 3Å; I539-L543 PolarHBondContact O-N 3.04Å; I539-F557 HydrophobicContact CG2-CZ 4.13Å; I539-L561 HydrophobicContact CG1-CD1 3.67Å; I539-L561 HydrophobicContact CG1-CD2 4.1Å; I539-F582 HydrophobicContact CD1-CE2 3.97Å; I539-F582 HydrophobicContact CG2-CZ 4.26Å; I539-V584 HydrophobicContact CD1-CG2 4.13Å; I539-W598 HydrophobicContact CG2-CZ3 4.46Å |
| 540 | F | 92.7 | Very high | 85.9 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.2 | -39.5 | 178.6 | -69.7 | -17.9 | 0 | 0 | 0 | 112.9 | F482 L485 Y489 I533 G538 L543 D544 | F482-F540 HydrophobicContact CE2-CD1 4.45Å; F482-F540 HydrophobicContact CE2-CE1 4.15Å; L485-F540 HydrophobicContact CD2-CE1 3.9Å; L485-F540 HydrophobicContact CG-CE1 4.3Å; Y489-F540 AromaticContact CD1-CE2 3.91Å; Y489-F540 HydrophobicContact CD1-CE2 3.91Å; Y489-F540 HydrophobicContact CD1-CZ 4.17Å; Y489-F540 AromaticContact CE1-CE2 3.8Å; Y489-F540 HydrophobicContact CE1-CE2 3.8Å; Y489-F540 HydrophobicContact CE1-CZ 4.5Å; Y489-F540 HydrophobicContact CE2-CE2 4.5Å; Y489-F540 HydrophobicContact CG-CE2 4.3Å; Y489-F540 HydrophobicContact CG-CZ 4.4Å; I533-F540 HydrophobicContact CG2-CD1 4.17Å; I533-F540 HydrophobicContact CG2-CD2 3.88Å; I533-F540 HydrophobicContact CG2-CE1 3.99Å; I533-F540 HydrophobicContact CG2-CE2 3.68Å; I533-F540 HydrophobicContact CG2-CG 4.13Å; I533-F540 HydrophobicContact CG2-CZ 3.74Å; I533-F540 PolarHBondContact O-N 2.85Å; G538-F540 VanDerWaalsContact C-N 3.33Å; G538-F540 PolarHBondContact O-N 3.14Å; F540-L543 PolarHBondContact O-N 2.79Å; F540-D544 WeakPolarHBondContact O-CB 3.23Å; F540-D544 PolarHBondContact O-N 3.31Å |
| 541 | A | 89.5 | Confident | 85.4 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 21% | 0.207 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G538 D544 E545 | G538-A541 PolarHBondContact O-N 2.8Å; A541-D544 PolarHBondContact O-N 3.39Å; A541-E545 WeakPolarHBondContact O-CG 3.37Å; A541-E545 PolarHBondContact O-N 2.88Å |
| 542 | L | 91.7 | Very high | 85 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.5 | -36.5 | 177.1 | -63.6 | 172.7 | 0 | 0 | 0 | 112.2 | M537 G538 E546 F557 K560 L561 S564 | M537-L542 WeakPolarHBondContact O-CD1 3.13Å; M537-L542 HydrophobicContact SD-CD2 4.2Å; G538-L542 WeakPolarHBondContact O-CG 3.44Å; G538-L542 PolarHBondContact O-N 2.74Å; L542-E546 WeakPolarHBondContact O-CG 3.46Å; L542-E546 PolarHBondContact O-N 2.82Å; L542-E546 VanDerWaalsContact O-N 3.16Å; L542-F557 HydrophobicContact CB-CE2 4.3Å; L542-K560 HydrophobicContact CD2-CD 4.4Å; L542-K560 HydrophobicContact CD2-CG 4.32Å; L542-L561 HydrophobicContact CD1-CB 4.47Å; L542-L561 HydrophobicContact CD1-CD1 3.96Å; L542-S564 VanDerWaalsContact CD1-OG 3.24Å; L542-S564 WeakPolarHBondContact CD1-OG 3.22Å |
| 543 | L | 91.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 174.5 | -173.9 | 68.7 | 0 | 0 | 0 | 111.3 | F482 I539 F540 E546 C547 F557 W598 L599 N602 | F482-L543 HydrophobicContact CD2-CD2 3.82Å; F482-L543 HydrophobicContact CE2-CD2 3.59Å; I539-L543 VanDerWaalsContact O-CB 3.27Å; I539-L543 WeakPolarHBondContact O-CB 3Å; I539-L543 PolarHBondContact O-N 3.04Å; F540-L543 PolarHBondContact O-N 2.79Å; L543-E546 PolarHBondContact O-N 3.49Å; L543-C547 PolarHBondContact O-N 2.84Å; L543-C547 PolarHBondContact O-SG 3.03Å; L543-F557 HydrophobicContact CB-CD2 4.09Å; L543-F557 HydrophobicContact CB-CE2 3.61Å; L543-F557 HydrophobicContact CB-CZ 4.08Å; L543-F557 HydrophobicContact CD1-CD1 3.92Å; L543-F557 HydrophobicContact CD1-CD2 3.89Å; L543-F557 HydrophobicContact CD1-CE1 3.88Å; L543-F557 HydrophobicContact CD1-CE2 3.85Å; L543-F557 HydrophobicContact CD1-CG 3.92Å; L543-F557 HydrophobicContact CD1-CZ 3.84Å; L543-F557 HydrophobicContact CG-CE2 4.34Å; L543-F557 HydrophobicContact CG-CZ 4.49Å; L543-W598 HydrophobicContact CD1-CB 3.91Å; L543-W598 HydrophobicContact CD1-CE3 4.31Å; L543-W598 HydrophobicContact CD2-CE3 4.18Å; L543-L599 HydrophobicContact CD1-CD2 3.71Å; L543-N602 HydrophobicContact CD2-CB 3.87Å; L543-N602 HydrophobicContact CG-CB 4.25Å |
| 544 | D | 87.2 | Confident | 84.6 | Confident | 15 Ų | 15 | 57 Ų | 57 | 8% | 0.08 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.4 | -47.6 | 176.6 | -68.7 | -17.2 | 0 | 0 | 0 | 111.9 | F540 A541 E546 C547 F548 N602 T657 S659 Q660 | F540-D544 WeakPolarHBondContact O-CB 3.23Å; F540-D544 PolarHBondContact O-N 3.31Å; A541-D544 PolarHBondContact O-N 3.39Å; D544-E546 VanDerWaalsContact C-N 3.29Å; D544-E546 PolarHBondContact O-N 3.34Å; D544-C547 VanDerWaalsContact O-CB 3.31Å; D544-C547 WeakPolarHBondContact O-CB 3.31Å; D544-C547 PolarHBondContact O-N 3.47Å; D544-F548 HydrophobicContact CB-CE2 4.25Å; D544-F548 WeakPolarHBondContact O-CD2 3.33Å; D544-F548 WeakPolarHBondContact O-CE2 3.42Å; D544-F548 PolarHBondContact O-N 3.01Å; D544-N602 PolarHBondContact OD1-ND2 2.84Å; D544-T657 VanDerWaalsContact CG-OG1 3.23Å; D544-T657 WeakPolarHBondContact OD1-CB 3Å; D544-T657 PolarHBondContact OD1-OG1 2.89Å; D544-T657 PolarHBondContact OD2-OG1 3.34Å; D544-S659 VanDerWaalsContact CG-OG 3.31Å; D544-S659 PolarHBondContact OD1-OG 3.13Å; D544-S659 PolarHBondContact OD2-OG 2.87Å; D544-Q660 VanDerWaalsContact OD2-CG 3.23Å; D544-Q660 WeakPolarHBondContact OD2-CG 3.03Å; D544-Q660 PolarHBondContact OD2-NE2 2.86Å |
| 545 | E | 85.7 | Confident | 84.5 | Confident | 86 Ų | 86 | 61.4 Ų | 61.4 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.9 | -42.6 | 176.3 | -75.6 | 174.9 | -159.8 | 0 | 0 | 112.4 | A541 C547 F548 F549 K560 | A541-E545 WeakPolarHBondContact O-CG 3.37Å; A541-E545 PolarHBondContact O-N 2.88Å; E545-C547 VanDerWaalsContact C-N 3.34Å; E545-F548 PolarHBondContact O-N 3.28Å; E545-F549 PolarHBondContact O-N 3.4Å; E545-K560 VanDerWaalsContact CB-NZ 3.3Å; E545-K560 VanDerWaalsContact OE2-CE 3.23Å; E545-K560 WeakPolarHBondContact OE2-CE 2.89Å; E545-K560 IonicContact OE2-NZ 2.78Å; E545-K560 PolarHBondContact OE2-NZ 3.06Å |
| 546 | E | 87.9 | Confident | 84.9 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.7 | -27.3 | 177.6 | -66.3 | -67.3 | 112.5 | 0 | 0 | 112.5 | L542 L543 D544 F548 F549 S556 F557 K560 L599 | L542-E546 WeakPolarHBondContact O-CG 3.46Å; L542-E546 PolarHBondContact O-N 2.82Å; L542-E546 VanDerWaalsContact O-N 3.16Å; L543-E546 PolarHBondContact O-N 3.49Å; D544-E546 VanDerWaalsContact C-N 3.29Å; D544-E546 PolarHBondContact O-N 3.34Å; E546-F548 VanDerWaalsContact C-N 3.28Å; E546-F548 PolarHBondContact O-N 3.1Å; E546-F549 PolarHBondContact O-N 3Å; E546-S556 WeakPolarHBondContact OE2-CB 3.43Å; E546-S556 PolarHBondContact OE2-OG 3.41Å; E546-F557 HydrophobicContact CB-CB 4.24Å; E546-F557 HydrophobicContact CG-CB 4.02Å; E546-K560 HydrophobicContact CG-CD 3.85Å; E546-K560 WeakPolarHBondContact OE1-CD 3.33Å; E546-K560 IonicContact OE1-NZ 2.83Å; E546-K560 PolarHBondContact OE1-NZ 2.97Å; E546-L599 HydrophobicContact CB-CD1 4.4Å; E546-L599 HydrophobicContact CB-CD2 3.66Å |
| 547 | C | 83.3 | Confident | 86 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 7% | 0.068 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.4 | -29.8 | 170 | -72.8 | 0 | 0 | 0 | 0 | 112.6 | L543 D544 E545 N602 M603 T657 | L543-C547 PolarHBondContact O-N 2.84Å; L543-C547 PolarHBondContact O-SG 3.03Å; D544-C547 VanDerWaalsContact O-CB 3.31Å; D544-C547 WeakPolarHBondContact O-CB 3.31Å; D544-C547 PolarHBondContact O-N 3.47Å; E545-C547 VanDerWaalsContact C-N 3.34Å; C547-N602 PolarHBondContact SG-ND2 3.43Å; C547-N602 VanDerWaalsContact SG-ND2 3.43Å; C547-M603 HydrophobicContact CB-CG 3.63Å; C547-M603 HydrophobicContact CB-SD 4.16Å; C547-M603 WeakPolarHBondContact O-CE 3.33Å; C547-T657 HydrophobicContact CB-CG2 4.38Å |
| 548 | F | 73.1 | Confident | 86.4 | Confident | 87 Ų | 87 | 45.8 Ų | 45.8 | 38% | 0.382 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -84.8 | -15.3 | 174.4 | -59.8 | -66.8 | 0 | 0 | 0 | 113.2 | D544 E545 E546 P550 F655 | D544-F548 HydrophobicContact CB-CE2 4.25Å; D544-F548 WeakPolarHBondContact O-CD2 3.33Å; D544-F548 WeakPolarHBondContact O-CE2 3.42Å; D544-F548 PolarHBondContact O-N 3.01Å; E545-F548 PolarHBondContact O-N 3.28Å; E546-F548 VanDerWaalsContact C-N 3.28Å; E546-F548 PolarHBondContact O-N 3.1Å; F548-P550 WeakPolarHBondContact O-CD 3.4Å; F548-F655 HydrophobicContact CD1-CD2 4.3Å; F548-F655 HydrophobicContact CE1-CB 3.99Å; F548-F655 AromaticContact CE1-CD2 3.97Å; F548-F655 HydrophobicContact CE1-CD2 3.97Å; F548-F655 HydrophobicContact CE1-CG 4.47Å; F548-F655 WeakPolarHBondContact CZ-O 3.47Å |
| 549 | F | 78.7 | Confident | 86.3 | Confident | 121 Ų | 121 | 50.7 Ų | 50.7 | 53% | 0.531 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -79.1 | 121.3 | -175.3 | -165.3 | -114.9 | 0 | 0 | 0 | 111.2 | E545 E546 K551 G552 | E545-F549 PolarHBondContact O-N 3.4Å; E546-F549 PolarHBondContact O-N 3Å; F549-K551 HydrophobicContact CD1-CB 4.47Å; F549-K551 HydrophobicContact CE1-CB 4.23Å; F549-K551 PolarHBondContact O-N 3.28Å; F549-G552 PolarHBondContact O-N 3.49Å |
| 550 | P | 73 | Confident | 86.2 | Confident | 128 Ų | 128 | 53.2 Ų | 53.2 | 83% | 0.831 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -8.3 | -171.4 | -26.4 | 35.8 | 0 | 0 | 0 | 116.7 | F548 | F548-P550 WeakPolarHBondContact O-CD 3.4Š|
| 551 | K | 80.7 | Confident | 86 | Confident | 180 Ų | 180 | 53 Ų | 53 | 78% | 0.783 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.3 | 20.8 | 173.7 | -63.7 | -178.2 | -179 | 174.4 | 0 | 112.1 | F549 | F549-K551 HydrophobicContact CD1-CB 4.47Å; F549-K551 HydrophobicContact CE1-CB 4.23Å; F549-K551 PolarHBondContact O-N 3.28Å |
| 552 | G | 83 | Confident | 86 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 24% | 0.237 | 27% | 0.273 | C | S | . | . | trans | -60.8 | 141.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F549 L599 | F549-G552 PolarHBondContact O-N 3.49Å; G552-L599 VanDerWaalsContact C-CD1 3.48Å | ||
| 553 | T | 87.1 | Confident | 85.8 | Confident | 71 Ų | 71 | 62.8 Ų | 62.8 | 44% | 0.436 | 31% | 0.311 | S | S | . | . | trans | -139 | 155.5 | 175.4 | 59 | 0 | 0 | 0 | 0 | 109 | K555 S556 F557 | T553-K555 PolarHBondContact O-N 2.87Å; T553-S556 PolarHBondContact N-OG 2.9Å; T553-S556 PolarHBondContact O-N 3.47Å; T553-S556 PolarHBondContact O-OG 2.97Å; T553-S556 PolarHBondContact OG1-N 3.15Å; T553-S556 PolarHBondContact OG1-OG 2.86Å; T553-F557 PolarHBondContact O-N 3.16Å | ||
| 554 | D | 89 | Confident | 85.6 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 16% | 0.16 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.4 | -28.7 | 177.5 | -50.3 | -56.5 | 0 | 0 | 0 | 111.6 | V558 S595 Q597 W598 L599 | D554-V558 PolarHBondContact O-N 2.82Å; D554-S595 VanDerWaalsContact CB-O 3.29Å; D554-S595 WeakPolarHBondContact CB-O 3.42Å; D554-S595 VanDerWaalsContact CG-O 3.24Å; D554-S595 PolarHBondContact O-OG 3.2Å; D554-Q597 VanDerWaalsContact CG-N 3.31Å; D554-Q597 WeakPolarHBondContact OD2-CA 3.26Å; D554-Q597 PolarHBondContact OD2-N 2.82Å; D554-W598 PolarHBondContact OD1-N 3.46Å; D554-L599 PolarHBondContact OD1-N 2.87Å |
| 555 | K | 87.7 | Confident | 85.5 | Confident | 123 Ų | 123 | 66.4 Ų | 66.4 | 54% | 0.535 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69.9 | -44.7 | 172.1 | -172.4 | 172.8 | -179 | -74.3 | 0 | 113.6 | T553 F557 V558 E559 A580 | T553-K555 PolarHBondContact O-N 2.87Å; K555-F557 VanDerWaalsContact C-N 3.28Å; K555-F557 PolarHBondContact O-N 2.96Å; K555-V558 PolarHBondContact O-N 3.39Å; K555-E559 WeakPolarHBondContact CE-OE1 2.92Å; K555-E559 IonicContact NZ-OE1 3.01Å; K555-E559 PolarHBondContact NZ-OE1 2.92Å; K555-E559 IonicContact NZ-OE2 2.79Å; K555-E559 WeakPolarHBondContact O-CB 3.3Å; K555-E559 WeakPolarHBondContact O-CG 3.29Å; K555-E559 PolarHBondContact O-N 3.21Å; K555-A580 HydrophobicContact CB-CB 4.32Å |
| 556 | S | 89.4 | Confident | 85.3 | Confident | 29 Ų | 29 | 66.4 Ų | 66.4 | 20% | 0.203 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 175.8 | 65.6 | 0 | 0 | 0 | 0 | 111.3 | E546 T553 E559 K560 | E546-S556 WeakPolarHBondContact OE2-CB 3.43Å; E546-S556 PolarHBondContact OE2-OG 3.41Å; T553-S556 PolarHBondContact N-OG 2.9Å; T553-S556 PolarHBondContact O-N 3.47Å; T553-S556 PolarHBondContact O-OG 2.97Å; T553-S556 PolarHBondContact OG1-N 3.15Å; T553-S556 PolarHBondContact OG1-OG 2.86Å; S556-E559 PolarHBondContact O-N 3.46Å; S556-K560 WeakPolarHBondContact O-CB 3.29Å; S556-K560 PolarHBondContact O-N 3.43Å |
| 557 | F | 91.7 | Very high | 85 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.4 | -51.1 | 170.4 | 162.8 | -109.8 | 0 | 0 | 0 | 112.7 | I539 L542 L543 E546 T553 K555 E559 K560 L561 F582 W598 | I539-F557 HydrophobicContact CG2-CZ 4.13Å; L542-F557 HydrophobicContact CB-CE2 4.3Å; L543-F557 HydrophobicContact CB-CD2 4.09Å; L543-F557 HydrophobicContact CB-CE2 3.61Å; L543-F557 HydrophobicContact CB-CZ 4.08Å; L543-F557 HydrophobicContact CD1-CD1 3.92Å; L543-F557 HydrophobicContact CD1-CD2 3.89Å; L543-F557 HydrophobicContact CD1-CE1 3.88Å; L543-F557 HydrophobicContact CD1-CE2 3.85Å; L543-F557 HydrophobicContact CD1-CG 3.92Å; L543-F557 HydrophobicContact CD1-CZ 3.84Å; L543-F557 HydrophobicContact CG-CE2 4.34Å; L543-F557 HydrophobicContact CG-CZ 4.49Å; E546-F557 HydrophobicContact CB-CB 4.24Å; E546-F557 HydrophobicContact CG-CB 4.02Å; T553-F557 PolarHBondContact O-N 3.16Å; K555-F557 VanDerWaalsContact C-N 3.28Å; K555-F557 PolarHBondContact O-N 2.96Å; F557-E559 PolarHBondContact O-N 3.48Å; F557-K560 PolarHBondContact O-N 3.31Å; F557-L561 HydrophobicContact CZ-CD2 4.28Å; F557-L561 WeakPolarHBondContact O-CB 3.36Å; F557-L561 PolarHBondContact O-N 2.62Å; F557-F582 HydrophobicContact CE1-CE1 4.2Å; F557-W598 AromaticContact CE1-CE3 3.82Å; F557-W598 HydrophobicContact CE1-CE3 3.82Å; F557-W598 HydrophobicContact CE1-CZ3 4.21Å; F557-W598 HydrophobicContact CZ-CE3 4.19Å; F557-W598 HydrophobicContact CZ-CZ3 4.35Å |
| 558 | V | 89.4 | Confident | 85.1 | Confident | 8 Ų | 8 | 76.8 Ų | 76.8 | 5% | 0.048 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | 178.5 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | D554 K555 K560 L561 I562 A580 F582 S595 | D554-V558 PolarHBondContact O-N 2.82Å; K555-V558 PolarHBondContact O-N 3.39Å; V558-K560 PolarHBondContact O-N 3.4Å; V558-L561 PolarHBondContact O-N 2.95Å; V558-I562 HydrophobicContact CG1-CD1 3.73Å; V558-I562 HydrophobicContact CG1-CG1 4.34Å; V558-I562 WeakPolarHBondContact O-CB 3.34Å; V558-I562 VanDerWaalsContact O-CG1 3.32Å; V558-I562 WeakPolarHBondContact O-CG1 3.24Å; V558-I562 PolarHBondContact O-N 3.2Å; V558-A580 HydrophobicContact CB-CB 4.13Å; V558-A580 HydrophobicContact CG2-CB 3.96Å; V558-F582 HydrophobicContact CG2-CD1 4.09Å; V558-S595 VanDerWaalsContact CG2-OG 3.28Å; V558-S595 WeakPolarHBondContact CG2-OG 3.11Å |
| 559 | E | 87.6 | Confident | 85.8 | Confident | 104 Ų | 104 | 77.6 Ų | 77.6 | 49% | 0.486 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 173.8 | -74.5 | 174.7 | 176 | 0 | 0 | 112.1 | K555 S556 F557 K563 | K555-E559 WeakPolarHBondContact CE-OE1 2.92Å; K555-E559 IonicContact NZ-OE1 3.01Å; K555-E559 PolarHBondContact NZ-OE1 2.92Å; K555-E559 IonicContact NZ-OE2 2.79Å; K555-E559 WeakPolarHBondContact O-CB 3.3Å; K555-E559 WeakPolarHBondContact O-CG 3.29Å; K555-E559 PolarHBondContact O-N 3.21Å; S556-E559 PolarHBondContact O-N 3.46Å; F557-E559 PolarHBondContact O-N 3.48Å; E559-K563 WeakPolarHBondContact O-CB 3.18Å; E559-K563 PolarHBondContact O-N 3.39Å |
| 560 | K | 89.6 | Confident | 86.3 | Confident | 53 Ų | 53 | 74 Ų | 74 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.3 | -40.3 | 176.2 | -175.7 | -178.9 | 179.5 | -171.5 | 0 | 112.4 | L542 E545 E546 S556 F557 V558 K563 S564 | L542-K560 HydrophobicContact CD2-CD 4.4Å; L542-K560 HydrophobicContact CD2-CG 4.32Å; E545-K560 VanDerWaalsContact CB-NZ 3.3Å; E545-K560 VanDerWaalsContact OE2-CE 3.23Å; E545-K560 WeakPolarHBondContact OE2-CE 2.89Å; E545-K560 IonicContact OE2-NZ 2.78Å; E545-K560 PolarHBondContact OE2-NZ 3.06Å; E546-K560 HydrophobicContact CG-CD 3.85Å; E546-K560 WeakPolarHBondContact OE1-CD 3.33Å; E546-K560 IonicContact OE1-NZ 2.83Å; E546-K560 PolarHBondContact OE1-NZ 2.97Å; S556-K560 WeakPolarHBondContact O-CB 3.29Å; S556-K560 PolarHBondContact O-N 3.43Å; F557-K560 PolarHBondContact O-N 3.31Å; V558-K560 PolarHBondContact O-N 3.4Å; K560-K563 PolarHBondContact O-N 3.34Å; K560-S564 WeakPolarHBondContact O-CB 3.4Å; K560-S564 PolarHBondContact O-N 3Å; K560-S564 PolarHBondContact O-OG 3.02Å |
| 561 | L | 89.9 | Confident | 87.1 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.2 | -51.3 | 173.7 | 174.6 | 59.5 | 0 | 0 | 0 | 111 | I539 L542 F557 V558 K563 S564 Q565 F582 | I539-L561 HydrophobicContact CG1-CD1 3.67Å; I539-L561 HydrophobicContact CG1-CD2 4.1Å; L542-L561 HydrophobicContact CD1-CB 4.47Å; L542-L561 HydrophobicContact CD1-CD1 3.96Å; F557-L561 HydrophobicContact CZ-CD2 4.28Å; F557-L561 WeakPolarHBondContact O-CB 3.36Å; F557-L561 PolarHBondContact O-N 2.62Å; V558-L561 PolarHBondContact O-N 2.95Å; L561-K563 PolarHBondContact O-N 3.42Å; L561-S564 PolarHBondContact O-N 3.07Å; L561-S564 PolarHBondContact O-OG 2.62Å; L561-S564 VanDerWaalsContact O-OG 3.13Å; L561-Q565 HydrophobicContact CD1-CB 4.34Å; L561-Q565 HydrophobicContact CD1-CG 4.15Å; L561-Q565 WeakPolarHBondContact O-CB 3.4Å; L561-Q565 PolarHBondContact O-N 2.69Å; L561-F582 HydrophobicContact CD2-CD1 4.02Å; L561-F582 HydrophobicContact CD2-CD2 3.83Å; L561-F582 HydrophobicContact CD2-CE1 4.04Å; L561-F582 HydrophobicContact CD2-CE2 3.84Å; L561-F582 HydrophobicContact CD2-CG 3.91Å; L561-F582 HydrophobicContact CD2-CZ 3.95Å |
| 562 | I | 88.3 | Confident | 87.3 | Confident | 42 Ų | 42 | 61.5 Ų | 61.5 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 178.1 | -68.6 | 171.1 | 0 | 0 | 0 | 110.6 | V558 S564 D566 K573 | V558-I562 HydrophobicContact CG1-CD1 3.73Å; V558-I562 HydrophobicContact CG1-CG1 4.34Å; V558-I562 WeakPolarHBondContact O-CB 3.34Å; V558-I562 VanDerWaalsContact O-CG1 3.32Å; V558-I562 WeakPolarHBondContact O-CG1 3.24Å; V558-I562 PolarHBondContact O-N 3.2Å; I562-S564 VanDerWaalsContact C-N 3.32Å; I562-S564 PolarHBondContact O-N 2.65Å; I562-D566 WeakPolarHBondContact O-CA 3.01Å; I562-D566 VanDerWaalsContact O-CB 3.28Å; I562-D566 WeakPolarHBondContact O-CB 3.01Å; I562-D566 PolarHBondContact O-N 3.31Å; I562-K573 HydrophobicContact CG2-CG 4.47Å |
| 563 | K | 87.6 | Confident | 87.1 | Confident | 189 Ų | 189 | 65.4 Ų | 65.4 | 82% | 0.822 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.1 | -31 | 179.9 | -175.7 | 177.2 | 178.6 | -177.2 | 0 | 113.8 | E559 K560 L561 | E559-K563 WeakPolarHBondContact O-CB 3.18Å; E559-K563 PolarHBondContact O-N 3.39Å; K560-K563 PolarHBondContact O-N 3.34Å; L561-K563 PolarHBondContact O-N 3.42Å |
| 564 | S | 86.5 | Confident | 86.4 | Confident | 54 Ų | 54 | 63.7 Ų | 63.7 | 38% | 0.378 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -89.8 | -32.1 | -178.9 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | L542 K560 L561 I562 | L542-S564 VanDerWaalsContact CD1-OG 3.24Å; L542-S564 WeakPolarHBondContact CD1-OG 3.22Å; K560-S564 WeakPolarHBondContact O-CB 3.4Å; K560-S564 PolarHBondContact O-N 3Å; K560-S564 PolarHBondContact O-OG 3.02Å; L561-S564 PolarHBondContact O-N 3.07Å; L561-S564 PolarHBondContact O-OG 2.62Å; L561-S564 VanDerWaalsContact O-OG 3.13Å; I562-S564 VanDerWaalsContact C-N 3.32Å; I562-S564 PolarHBondContact O-N 2.65Å |
| 565 | Q | 86.3 | Confident | 85.1 | Confident | 38 Ų | 38 | 69.7 Ų | 69.7 | 18% | 0.178 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -117.3 | 14.1 | -171.8 | -64.1 | -67.1 | -8.9 | 0 | 0 | 114.3 | L532 M537 L561 K567 H568 L571 | L532-Q565 HydrophobicContact CD1-CB 4.05Å; L532-Q565 HydrophobicContact CD1-CG 3.89Å; M537-Q565 PolarHBondContact O-NE2 2.87Å; L561-Q565 HydrophobicContact CD1-CB 4.34Å; L561-Q565 HydrophobicContact CD1-CG 4.15Å; L561-Q565 WeakPolarHBondContact O-CB 3.4Å; L561-Q565 PolarHBondContact O-N 2.69Å; Q565-K567 PolarHBondContact O-N 2.8Å; Q565-H568 HydrophobicContact CB-CB 4.39Å; Q565-H568 VanDerWaalsContact O-CB 3.23Å; Q565-H568 WeakPolarHBondContact O-CB 3.28Å; Q565-H568 PolarHBondContact O-N 2.9Å; Q565-L571 HydrophobicContact CB-CD2 3.74Å |
| 566 | D | 80.4 | Confident | 83.7 | Confident | 86 Ų | 86 | 72 Ų | 72 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -38.2 | -175.8 | -152.7 | -23.5 | 0 | 0 | 0 | 114.2 | I562 H568 K573 | I562-D566 WeakPolarHBondContact O-CA 3.01Å; I562-D566 VanDerWaalsContact O-CB 3.28Å; I562-D566 WeakPolarHBondContact O-CB 3.01Å; I562-D566 PolarHBondContact O-N 3.31Å; D566-H568 VanDerWaalsContact C-N 3.32Å; D566-H568 PolarHBondContact O-N 2.79Å; D566-K573 WeakPolarHBondContact OD1-CE 2.91Å; D566-K573 IonicContact OD1-NZ 2.79Å; D566-K573 PolarHBondContact OD1-NZ 3.25Å; D566-K573 IonicContact OD2-NZ 3.26Å; D566-K573 PolarHBondContact OD2-NZ 2.67Å |
| 567 | K | 82.2 | Confident | 82.1 | Confident | 208 Ų | 208 | 82.9 Ų | 82.9 | 90% | 0.904 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 1.6 | -177.5 | -61.3 | -177.5 | -179.2 | 179.1 | 0 | 113.9 | Q565 | Q565-K567 PolarHBondContact O-N 2.8Š|
| 568 | H | 86.4 | Confident | 80.5 | Confident | 38 Ų | 38 | 85.5 Ų | 85.5 | 18% | 0.176 | 41% | 0.408 | C | S | . | . | trans | -81.2 | 121.9 | -173.1 | -167.7 | -91.6 | 0 | 0 | 0 | 111.8 | P528 L532 Q565 D566 K570 L571 | P528-H568 PolarHBondContact O-CE1 3.15Å; P528-H568 VanDerWaalsContact O-CE1 3.25Å; L532-H568 HydrophobicContact CD1-CB 4.34Å; Q565-H568 HydrophobicContact CB-CB 4.39Å; Q565-H568 VanDerWaalsContact O-CB 3.23Å; Q565-H568 WeakPolarHBondContact O-CB 3.28Å; Q565-H568 PolarHBondContact O-N 2.9Å; D566-H568 VanDerWaalsContact C-N 3.32Å; D566-H568 PolarHBondContact O-N 2.79Å; H568-K570 PolarHBondContact ND1-N 2.65Å; H568-K570 PolarHBondContact O-N 2.8Å; H568-L571 HydrophobicContact CB-CB 4.4Å; H568-L571 PolarHBondContact O-N 2.79Å | ||
| 569 | P | 86.5 | Confident | 79.1 | Confident | 105 Ų | 105 | 92 Ų | 92 | 68% | 0.682 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -4.2 | -168.9 | 28.9 | -37.4 | 0 | 0 | 0 | 115.2 | ||
| 570 | K | 89.9 | Confident | 78.1 | Confident | 46 Ų | 46 | 87.9 Ų | 87.9 | 20% | 0.2 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -4.5 | 174.3 | -56.2 | -69.6 | -164.6 | 159.8 | 0 | 113.8 | T529 L532 H568 V584 I585 | T529-K570 WeakPolarHBondContact OG1-CE 3.34Å; L532-K570 HydrophobicContact CD2-CB 4.1Å; H568-K570 PolarHBondContact ND1-N 2.65Å; H568-K570 PolarHBondContact O-N 2.8Å; K570-V584 CarbonylContact O-C 3.43Å; K570-V584 WeakPolarHBondContact O-CA 3.1Å; K570-I585 HydrophobicContact CD-CB 4.22Å; K570-I585 HydrophobicContact CD-CG2 4.48Å; K570-I585 PolarHBondContact O-N 3.28Å |
| 571 | L | 90.1 | Very high | 77.8 | Confident | 23 Ų | 23 | 86.7 Ų | 86.7 | 12% | 0.12 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 135.9 | 178.3 | -172.6 | 71.5 | 0 | 0 | 0 | 110 | L532 Q565 H568 F582 | L532-L571 HydrophobicContact CD2-CB 4.25Å; Q565-L571 HydrophobicContact CB-CD2 3.74Å; H568-L571 HydrophobicContact CB-CB 4.4Å; H568-L571 PolarHBondContact O-N 2.79Å; L571-F582 HydrophobicContact CD1-CD2 3.98Å |
| 572 | C | 85 | Confident | 77.9 | Confident | 22 Ų | 22 | 86.7 Ų | 86.7 | 15% | 0.149 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.8 | 176.8 | -64.8 | 0 | 0 | 0 | 0 | 110.6 | G583 | C572-G583 PolarHBondContact N-O 2.67Å; C572-G583 PolarHBondContact O-N 2.65Å |
| 573 | K | 78.9 | Confident | 77.9 | Confident | 104 Ų | 104 | 84.7 Ų | 84.7 | 45% | 0.452 | 41% | 0.412 | S | S | . | . | trans | -73.5 | 142.6 | 163.7 | -72 | 167.3 | 172 | 162.7 | 0 | 109.3 | I562 D566 | I562-K573 HydrophobicContact CG2-CG 4.47Å; D566-K573 WeakPolarHBondContact OD1-CE 2.91Å; D566-K573 IonicContact OD1-NZ 2.79Å; D566-K573 PolarHBondContact OD1-NZ 3.25Å; D566-K573 IonicContact OD2-NZ 3.26Å; D566-K573 PolarHBondContact OD2-NZ 2.67Å | ||
| 574 | T | 71.6 | Confident | 78.1 | Confident | 36 Ų | 36 | 75.7 Ų | 75.7 | 22% | 0.221 | 37% | 0.373 | C | S | . | . | trans | -79.2 | 146.4 | 170.1 | 46.5 | 0 | 0 | 0 | 0 | 110.1 | F576 D581 | T574-F576 VanDerWaalsContact C-N 3.32Å; T574-F576 PolarHBondContact O-N 2.75Å; T574-D581 HydrophobicContact CG2-CB 3.85Å; T574-D581 PolarHBondContact OG1-O 2.64Å | ||
| 575 | E | 62.6 | Low | 78.4 | Confident | 155 Ų | 155 | 76.1 Ų | 76.1 | 72% | 0.724 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -88.1 | 5.4 | -166.3 | -64.4 | -179.5 | -179.4 | 0 | 0 | 114.2 | ||
| 576 | F | 57.8 | Low | 78.5 | Confident | 171 Ų | 171 | 74.5 Ų | 74.5 | 75% | 0.75 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -136.8 | 162.8 | -174.8 | -70.2 | -85.9 | 0 | 0 | 0 | 112.5 | T574 S578 | T574-F576 VanDerWaalsContact C-N 3.32Å; T574-F576 PolarHBondContact O-N 2.75Å; F576-S578 PolarHBondContact O-N 2.66Å |
| 577 | R | 56.3 | Low | 78.8 | Confident | 258 Ų | 258 | 71.9 Ų | 71.9 | 97% | 0.974 | 35% | 0.346 | S | S | * | . | trans | -74.7 | 50.1 | 177.6 | -62.7 | -176.4 | 179.9 | 177 | -0.1 | 112.9 | ||||
| 578 | S | 57.8 | Low | 78.7 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 39% | 0.392 | 31% | 0.313 | S | S | . | . | trans | -83.5 | 162.6 | 176.8 | 64 | 0 | 0 | 0 | 0 | 111.7 | F576 A580 D581 | F576-S578 PolarHBondContact O-N 2.66Å; S578-A580 PolarHBondContact O-N 2.79Å; S578-D581 WeakPolarHBondContact CB-OD2 2.89Å; S578-D581 PolarHBondContact OG-OD2 3.12Å | ||
| 579 | N | 59.3 | Low | 78.5 | Confident | 144 Ų | 144 | 62.8 Ų | 62.8 | 77% | 0.77 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -84.1 | 87.1 | -168.3 | -72.7 | -32.9 | 0 | 0 | 0 | 111.6 | ||
| 580 | A | 66.7 | Low | 78.6 | Confident | 17 Ų | 17 | 63 Ų | 63 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 60.3 | 62.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K555 V558 S578 S595 | K555-A580 HydrophobicContact CB-CB 4.32Å; V558-A580 HydrophobicContact CB-CB 4.13Å; V558-A580 HydrophobicContact CG2-CB 3.96Å; S578-A580 PolarHBondContact O-N 2.79Å; A580-S595 VanDerWaalsContact CB-OG 3.23Å; A580-S595 WeakPolarHBondContact CB-OG 3.07Å; A580-S595 VanDerWaalsContact O-CB 3.27Å; A580-S595 WeakPolarHBondContact O-CB 3.44Å; A580-S595 PolarHBondContact O-N 2.6Å; A580-S595 PolarHBondContact O-OG 3.13Å |
| 581 | D | 84.4 | Confident | 78.6 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 152.7 | 171.9 | -57.2 | -66.6 | 0 | 0 | 0 | 111 | T574 S578 Y593 N594 | T574-D581 HydrophobicContact CG2-CB 3.85Å; T574-D581 PolarHBondContact OG1-O 2.64Å; S578-D581 WeakPolarHBondContact CB-OD2 2.89Å; S578-D581 PolarHBondContact OG-OD2 3.12Å; D581-Y593 WeakPolarHBondContact CA-O 3.35Å; D581-N594 WeakPolarHBondContact OD1-CA 3.43Å; D581-N594 VanDerWaalsContact OD1-CB 3.3Å; D581-N594 WeakPolarHBondContact OD1-CB 3.18Å; D581-N594 PolarHBondContact OD1-ND2 2.82Å |
| 582 | F | 90.1 | Very high | 78.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 154.5 | 170.7 | 70 | -84.3 | 0 | 0 | 0 | 111.5 | I539 F557 V558 L561 L571 V584 Y593 W598 | I539-F582 HydrophobicContact CD1-CE2 3.97Å; I539-F582 HydrophobicContact CG2-CZ 4.26Å; F557-F582 HydrophobicContact CE1-CE1 4.2Å; V558-F582 HydrophobicContact CG2-CD1 4.09Å; L561-F582 HydrophobicContact CD2-CD1 4.02Å; L561-F582 HydrophobicContact CD2-CD2 3.83Å; L561-F582 HydrophobicContact CD2-CE1 4.04Å; L561-F582 HydrophobicContact CD2-CE2 3.84Å; L561-F582 HydrophobicContact CD2-CG 3.91Å; L561-F582 HydrophobicContact CD2-CZ 3.95Å; L571-F582 HydrophobicContact CD1-CD2 3.98Å; F582-V584 HydrophobicContact CD2-CG2 3.98Å; F582-V584 HydrophobicContact CE2-CG2 3.69Å; F582-Y593 HydrophobicContact CE2-CD2 4.29Å; F582-Y593 PolarHBondContact N-O 2.55Å; F582-Y593 PolarHBondContact O-N 3.37Å; F582-W598 AromaticContact CE1-CH2 3.75Å; F582-W598 HydrophobicContact CE1-CH2 3.75Å; F582-W598 AromaticContact CE1-CZ3 3.77Å; F582-W598 HydrophobicContact CE1-CZ3 3.77Å; F582-W598 AromaticContact CZ-CH2 3.6Å; F582-W598 HydrophobicContact CZ-CH2 3.6Å; F582-W598 AromaticContact CZ-CZ3 3.67Å; F582-W598 HydrophobicContact CZ-CZ3 3.67Å |
| 583 | G | 89.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 148.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | C572 V591 | C572-G583 PolarHBondContact N-O 2.67Å; C572-G583 PolarHBondContact O-N 2.65Å; G583-V591 CarbonylContact C-O 3.57Å; G583-V591 VanDerWaalsContact CA-O 3.3Å; G583-V591 WeakPolarHBondContact CA-O 3.44Å |
| 584 | V | 92.2 | Very high | 79.4 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 137.3 | 171 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | T529 L532 I539 K570 F582 H586 R590 V591 Y593 | T529-V584 HydrophobicContact CG2-CG1 4.12Å; L532-V584 HydrophobicContact CD2-CG1 4.26Å; I539-V584 HydrophobicContact CD1-CG2 4.13Å; K570-V584 CarbonylContact O-C 3.43Å; K570-V584 WeakPolarHBondContact O-CA 3.1Å; F582-V584 HydrophobicContact CD2-CG2 3.98Å; F582-V584 HydrophobicContact CE2-CG2 3.69Å; V584-H586 PolarHBondContact O-N 2.78Å; V584-R590 WeakPolarHBondContact O-CA 3.25Å; V584-V591 PolarHBondContact N-O 2.69Å; V584-V591 PolarHBondContact O-N 2.6Å; V584-Y593 HydrophobicContact CB-CD2 4.47Å; V584-Y593 HydrophobicContact CB-CE2 4.06Å; V584-Y593 HydrophobicContact CG2-CD2 4.1Å; V584-Y593 HydrophobicContact CG2-CE2 4.06Å |
| 585 | I | 91.1 | Very high | 80.2 | Confident | 62 Ų | 62 | 58.5 Ų | 58.5 | 32% | 0.318 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 100 | 174.1 | -54 | 178.4 | 0 | 0 | 0 | 108.9 | T529 K570 | T529-I585 WeakPolarHBondContact CG2-O 2.99Å; K570-I585 HydrophobicContact CD-CB 4.22Å; K570-I585 HydrophobicContact CD-CG2 4.48Å; K570-I585 PolarHBondContact O-N 3.28Å |
| 586 | H | 89.3 | Confident | 81.3 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 2% | 0.023 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 168.4 | 173.7 | -72.5 | -81.7 | 0 | 0 | 0 | 111.9 | F474 E492 V584 A588 G589 Y593 | F474-H586 HydrophobicContact CE2-CB 3.69Å; F474-H586 AromaticContact CE2-CG 3.81Å; F474-H586 AromaticContact CE2-ND1 3.97Å; F474-H586 HydrophobicContact CZ-CB 3.43Å; F474-H586 VanDerWaalsContact CZ-CB 3.43Å; F474-H586 AromaticContact CZ-CD2 3.96Å; F474-H586 AromaticContact CZ-CG 3.59Å; E492-H586 WeakPolarHBondContact OE2-CA 3.29Å; E492-H586 VanDerWaalsContact OE2-CB 3.29Å; E492-H586 WeakPolarHBondContact OE2-CB 2.94Å; E492-H586 IonicContact OE2-CE1 2.69Å; E492-H586 IonicContact OE2-CG 2.97Å; E492-H586 IonicContact OE2-ND1 3.8Å; E492-H586 PolarHBondContact OE2-ND1 2.83Å; V584-H586 PolarHBondContact O-N 2.78Å; H586-A588 PolarHBondContact O-N 2.62Å; H586-A588 VanDerWaalsContact O-N 3.12Å; H586-G589 WeakPolarHBondContact CB-O 3Å; H586-G589 PolarHBondContact N-O 2.63Å; H586-G589 PolarHBondContact O-N 2.9Å; H586-Y593 AromaticContact NE2-CE2 3.57Å; H586-Y593 AromaticContact NE2-CZ 3.65Å; H586-Y593 PolarHBondContact NE2-OH 2.65Å |
| 587 | Y | 85.9 | Confident | 82.5 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -25 | 174.5 | 83.2 | -89.4 | 0 | 0 | 0 | 114.1 | F474 N491 E492 Q495 L526 C706 | F474-Y587 HydrophobicContact CD2-CD1 4.39Å; F474-Y587 AromaticContact CD2-CE1 3.63Å; F474-Y587 HydrophobicContact CD2-CE1 3.63Å; F474-Y587 HydrophobicContact CE2-CD1 4.37Å; F474-Y587 HydrophobicContact CE2-CE1 4.04Å; N491-Y587 HydrophobicContact CB-CE1 4.13Å; E492-Y587 PolarHBondContact OE1-N 2.86Å; E492-Y587 WeakPolarHBondContact OE2-CD1 2.97Å; E492-Y587 PolarHBondContact OE2-N 2.72Å; Q495-Y587 HydrophobicContact CB-CD1 4.31Å; Q495-Y587 HydrophobicContact CB-CE1 4.28Å; Q495-Y587 HydrophobicContact CB-CE2 4.5Å; Q495-Y587 HydrophobicContact CB-CG 4.42Å; Q495-Y587 HydrophobicContact CG-CD2 4.02Å; Q495-Y587 HydrophobicContact CG-CE2 4.28Å; Q495-Y587 HydrophobicContact CG-CG 4.16Å; L526-Y587 HydrophobicContact CD1-CD1 4.34Å; L526-Y587 HydrophobicContact CD1-CG 4.12Å; Y587-C706 HydrophobicContact CD2-CB 4.14Å; Y587-C706 VanDerWaalsContact CD2-O 3.28Å; Y587-C706 WeakPolarHBondContact CD2-O 3.46Å; Y587-C706 HydrophobicContact CE2-CB 4.45Å; Y587-C706 WeakPolarHBondContact O-CB 3.38Å; Y587-C706 PolarHBondContact O-SG 3.29Å |
| 588 | A | 80.3 | Confident | 84.1 | Confident | 26 Ų | 26 | 39 Ų | 39 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 10.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F474 H586 | F474-A588 HydrophobicContact CD1-CB 3.78Å; F474-A588 HydrophobicContact CD2-CB 4.22Å; F474-A588 HydrophobicContact CE1-CB 3.87Å; F474-A588 HydrophobicContact CE2-CB 4.31Å; F474-A588 HydrophobicContact CG-CB 3.98Å; F474-A588 HydrophobicContact CZ-CB 4.15Å; H586-A588 PolarHBondContact O-N 2.62Å; H586-A588 VanDerWaalsContact O-N 3.12Å |
| 589 | G | 83.6 | Confident | 85.4 | Confident | 29 Ų | 29 | 36.9 Ų | 36.9 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 124.5 | -177.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | H586 | H586-G589 WeakPolarHBondContact CB-O 3Å; H586-G589 PolarHBondContact N-O 2.63Å; H586-G589 PolarHBondContact O-N 2.9Å |
| 590 | R | 88 | Confident | 86.3 | Confident | 110 Ų | 110 | 33.7 Ų | 33.7 | 42% | 0.415 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 125.7 | 173.8 | 172.8 | 176.2 | 168.7 | 162.5 | -6.5 | 109.6 | V584 E592 | V584-R590 WeakPolarHBondContact O-CA 3.25Å; R590-E592 IonicContact CZ-OE1 2.93Å; R590-E592 VanDerWaalsContact CZ-OE1 3.23Å; R590-E592 IonicContact NE-OE1 3.6Å; R590-E592 PolarHBondContact NE-OE1 2.99Å; R590-E592 IonicContact NH2-OE1 2.68Å; R590-E592 PolarHBondContact NH2-OE1 3.39Å |
| 591 | V | 89 | Confident | 87 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 133 | 172.1 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | F474 I476 N480 G583 V584 Y593 | F474-V591 HydrophobicContact CE1-CG2 3.8Å; F474-V591 HydrophobicContact CZ-CG2 3.83Å; I476-V591 HydrophobicContact CD1-CG2 4.15Å; I476-V591 HydrophobicContact CG1-CG2 3.98Å; N480-V591 HydrophobicContact CB-CG1 4.02Å; G583-V591 CarbonylContact C-O 3.57Å; G583-V591 VanDerWaalsContact CA-O 3.3Å; G583-V591 WeakPolarHBondContact CA-O 3.44Å; V584-V591 PolarHBondContact N-O 2.69Å; V584-V591 PolarHBondContact O-N 2.6Å; V591-Y593 HydrophobicContact CB-CE2 3.86Å; V591-Y593 HydrophobicContact CG1-CD1 4.36Å; V591-Y593 HydrophobicContact CG1-CD2 4.36Å; V591-Y593 HydrophobicContact CG1-CE1 3.8Å; V591-Y593 HydrophobicContact CG1-CE2 3.82Å |
| 592 | E | 90.5 | Very high | 87 | Confident | 90 Ų | 90 | 33.8 Ų | 33.8 | 42% | 0.421 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.5 | 177.1 | -55.1 | -161.9 | 146.2 | 0 | 0 | 109.8 | N480 R590 | N480-E592 WeakPolarHBondContact CB-O 2.92Å; N480-E592 PolarHBondContact ND2-O 3.33Å; R590-E592 IonicContact CZ-OE1 2.93Å; R590-E592 VanDerWaalsContact CZ-OE1 3.23Å; R590-E592 IonicContact NE-OE1 3.6Å; R590-E592 PolarHBondContact NE-OE1 2.99Å; R590-E592 IonicContact NH2-OE1 2.68Å; R590-E592 PolarHBondContact NH2-OE1 3.39Å |
| 593 | Y | 91.4 | Very high | 86.3 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129 | -174.3 | -67.4 | -74.4 | 0 | 0 | 0 | 110.6 | N480 Q484 L485 N488 D581 F582 V584 H586 V591 W598 | N480-Y593 HydrophobicContact CB-CD1 3.59Å; N480-Y593 HydrophobicContact CB-CE1 3.84Å; N480-Y593 HydrophobicContact CB-CG 4.46Å; N480-Y593 WeakPolarHBondContact O-CA 3.08Å; Q484-Y593 HydrophobicContact CB-CE1 4.31Å; L485-Y593 HydrophobicContact CB-CD1 4.03Å; L485-Y593 HydrophobicContact CB-CE1 3.7Å; L485-Y593 HydrophobicContact CD1-CD2 4.45Å; L485-Y593 HydrophobicContact CD1-CE1 4.26Å; L485-Y593 HydrophobicContact CD1-CE2 3.89Å; N488-Y593 WeakPolarHBondContact CB-OH 2.98Å; N488-Y593 PolarHBondContact ND2-OH 3.09Å; D581-Y593 WeakPolarHBondContact CA-O 3.35Å; F582-Y593 HydrophobicContact CE2-CD2 4.29Å; F582-Y593 PolarHBondContact N-O 2.55Å; F582-Y593 PolarHBondContact O-N 3.37Å; V584-Y593 HydrophobicContact CB-CD2 4.47Å; V584-Y593 HydrophobicContact CB-CE2 4.06Å; V584-Y593 HydrophobicContact CG2-CD2 4.1Å; V584-Y593 HydrophobicContact CG2-CE2 4.06Å; H586-Y593 AromaticContact NE2-CE2 3.57Å; H586-Y593 AromaticContact NE2-CZ 3.65Å; H586-Y593 PolarHBondContact NE2-OH 2.65Å; V591-Y593 HydrophobicContact CB-CE2 3.86Å; V591-Y593 HydrophobicContact CG1-CD1 4.36Å; V591-Y593 HydrophobicContact CG1-CD2 4.36Å; V591-Y593 HydrophobicContact CG1-CE1 3.8Å; V591-Y593 HydrophobicContact CG1-CE2 3.82Å; Y593-W598 HydrophobicContact CD1-CH2 4.39Å; Y593-W598 HydrophobicContact CD1-CZ2 4.29Å; Y593-W598 HydrophobicContact CG-CH2 4.23Å; Y593-W598 HydrophobicContact CG-CZ2 4.36Å |
| 594 | N | 89.2 | Confident | 85.6 | Confident | 44 Ų | 44 | 37.7 Ų | 37.7 | 24% | 0.235 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 115.1 | 176.1 | 178.1 | -96.6 | 0 | 0 | 0 | 109.2 | V479 N480 D581 N596 W598 | V479-N594 HydrophobicContact CG1-CB 4.32Å; N480-N594 PolarHBondContact O-N 3.03Å; D581-N594 WeakPolarHBondContact OD1-CA 3.43Å; D581-N594 VanDerWaalsContact OD1-CB 3.3Å; D581-N594 WeakPolarHBondContact OD1-CB 3.18Å; D581-N594 PolarHBondContact OD1-ND2 2.82Å; N594-N596 VanDerWaalsContact C-N 3.26Å; N594-N596 PolarHBondContact O-N 3.41Å; N594-N596 WeakPolarHBondContact OD1-CB 3.38Å; N594-N596 PolarHBondContact OD1-N 3.03Å; N594-W598 PolarHBondContact O-NE1 3.5Å |
| 595 | S | 88.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -79.2 | -1 | -172.4 | 73.5 | 0 | 0 | 0 | 0 | 115 | D554 V558 A580 Q597 W598 | D554-S595 VanDerWaalsContact CB-O 3.29Å; D554-S595 WeakPolarHBondContact CB-O 3.42Å; D554-S595 VanDerWaalsContact CG-O 3.24Å; D554-S595 PolarHBondContact O-OG 3.2Å; V558-S595 VanDerWaalsContact CG2-OG 3.28Å; V558-S595 WeakPolarHBondContact CG2-OG 3.11Å; A580-S595 VanDerWaalsContact CB-OG 3.23Å; A580-S595 WeakPolarHBondContact CB-OG 3.07Å; A580-S595 VanDerWaalsContact O-CB 3.27Å; A580-S595 WeakPolarHBondContact O-CB 3.44Å; A580-S595 PolarHBondContact O-N 2.6Å; A580-S595 PolarHBondContact O-OG 3.13Å; S595-Q597 PolarHBondContact O-N 2.91Å; S595-W598 VanDerWaalsContact CA-CD1 3.47Å; S595-W598 WeakPolarHBondContact O-CB 3.18Å; S595-W598 VanDerWaalsContact O-CG 3.22Å; S595-W598 PolarHBondContact O-N 2.71Å | ||
| 596 | N | 86 | Confident | 84 | Confident | 95 Ų | 95 | 37 Ų | 37 | 51% | 0.508 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 125.3 | -174.2 | -171.7 | 12.3 | 0 | 0 | 0 | 111.9 | N594 W598 | N594-N596 VanDerWaalsContact C-N 3.26Å; N594-N596 PolarHBondContact O-N 3.41Å; N594-N596 WeakPolarHBondContact OD1-CB 3.38Å; N594-N596 PolarHBondContact OD1-N 3.03Å; N596-W598 PolarHBondContact O-N 2.92Å |
| 597 | Q | 83.4 | Confident | 83.7 | Confident | 79 Ų | 79 | 37.7 Ų | 37.7 | 37% | 0.369 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 16.3 | -175.8 | -44.6 | -172 | -27.2 | 0 | 0 | 115 | D554 S595 L599 M600 K601 | D554-Q597 VanDerWaalsContact CG-N 3.31Å; D554-Q597 WeakPolarHBondContact OD2-CA 3.26Å; D554-Q597 PolarHBondContact OD2-N 2.82Å; S595-Q597 PolarHBondContact O-N 2.91Å; Q597-L599 PolarHBondContact O-N 3.25Å; Q597-M600 HydrophobicContact CB-CB 4.45Å; Q597-M600 PolarHBondContact O-N 2.81Å; Q597-K601 WeakPolarHBondContact O-CB 2.82Å; Q597-K601 VanDerWaalsContact O-CG 3.26Å; Q597-K601 WeakPolarHBondContact O-CG 3.19Å; Q597-K601 PolarHBondContact O-N 2.81Å |
| 598 | W | 88.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.3 | -39.2 | 178.7 | -81.9 | 32.2 | 0 | 0 | 0 | 112.7 | F482 L485 I539 L543 D554 F557 F582 Y593 N594 S595 N596 M600 K601 N602 | F482-W598 HydrophobicContact CB-CD2 3.85Å; F482-W598 HydrophobicContact CB-CE3 4.45Å; F482-W598 HydrophobicContact CB-CG 3.99Å; F482-W598 HydrophobicContact CB-CZ2 4.36Å; F482-W598 HydrophobicContact CD2-CD2 4.4Å; F482-W598 HydrophobicContact CD2-CE3 4.22Å; F482-W598 VanDerWaalsContact N-NE1 3.15Å; L485-W598 HydrophobicContact CB-CH2 4.1Å; L485-W598 HydrophobicContact CD2-CH2 3.57Å; L485-W598 HydrophobicContact CD2-CZ3 3.59Å; L485-W598 HydrophobicContact CG-CH2 4.42Å; I539-W598 HydrophobicContact CG2-CZ3 4.46Å; L543-W598 HydrophobicContact CD1-CB 3.91Å; L543-W598 HydrophobicContact CD1-CE3 4.31Å; L543-W598 HydrophobicContact CD2-CE3 4.18Å; D554-W598 PolarHBondContact OD1-N 3.46Å; F557-W598 AromaticContact CE1-CE3 3.82Å; F557-W598 HydrophobicContact CE1-CE3 3.82Å; F557-W598 HydrophobicContact CE1-CZ3 4.21Å; F557-W598 HydrophobicContact CZ-CE3 4.19Å; F557-W598 HydrophobicContact CZ-CZ3 4.35Å; F582-W598 AromaticContact CE1-CH2 3.75Å; F582-W598 HydrophobicContact CE1-CH2 3.75Å; F582-W598 AromaticContact CE1-CZ3 3.77Å; F582-W598 HydrophobicContact CE1-CZ3 3.77Å; F582-W598 AromaticContact CZ-CH2 3.6Å; F582-W598 HydrophobicContact CZ-CH2 3.6Å; F582-W598 AromaticContact CZ-CZ3 3.67Å; F582-W598 HydrophobicContact CZ-CZ3 3.67Å; Y593-W598 HydrophobicContact CD1-CH2 4.39Å; Y593-W598 HydrophobicContact CD1-CZ2 4.29Å; Y593-W598 HydrophobicContact CG-CH2 4.23Å; Y593-W598 HydrophobicContact CG-CZ2 4.36Å; N594-W598 PolarHBondContact O-NE1 3.5Å; S595-W598 VanDerWaalsContact CA-CD1 3.47Å; S595-W598 WeakPolarHBondContact O-CB 3.18Å; S595-W598 VanDerWaalsContact O-CG 3.22Å; S595-W598 PolarHBondContact O-N 2.71Å; N596-W598 PolarHBondContact O-N 2.92Å; W598-M600 VanDerWaalsContact C-N 3.34Å; W598-M600 PolarHBondContact O-N 3.01Å; W598-K601 PolarHBondContact O-N 3.22Å; W598-N602 VanDerWaalsContact O-CB 3.23Å; W598-N602 WeakPolarHBondContact O-CB 3.41Å; W598-N602 PolarHBondContact O-N 2.85Å |
| 599 | L | 85.5 | Confident | 83.7 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 7% | 0.068 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.6 | -46.5 | 175.2 | -61.8 | -178.3 | 0 | 0 | 0 | 110.8 | L543 E546 G552 D554 Q597 K601 N602 M603 | L543-L599 HydrophobicContact CD1-CD2 3.71Å; E546-L599 HydrophobicContact CB-CD1 4.4Å; E546-L599 HydrophobicContact CB-CD2 3.66Å; G552-L599 VanDerWaalsContact C-CD1 3.48Å; D554-L599 PolarHBondContact OD1-N 2.87Å; Q597-L599 PolarHBondContact O-N 3.25Å; L599-K601 VanDerWaalsContact C-N 3.33Å; L599-K601 PolarHBondContact O-N 3.45Å; L599-N602 PolarHBondContact O-N 3.22Å; L599-M603 WeakPolarHBondContact O-CG 3.35Å; L599-M603 PolarHBondContact O-N 2.89Å |
| 600 | M | 78.2 | Confident | 83.9 | Confident | 76 Ų | 76 | 37 Ų | 37 | 37% | 0.374 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64 | -35.4 | 177.5 | -64.5 | -58.9 | -58.2 | 0 | 0 | 112.9 | F430 Q597 W598 D604 P605 | F430-M600 HydrophobicContact CD1-CE 4.06Å; F430-M600 HydrophobicContact CD2-CE 4.11Å; F430-M600 HydrophobicContact CE1-CE 3.67Å; F430-M600 HydrophobicContact CE2-CB 4.07Å; F430-M600 HydrophobicContact CE2-CE 3.69Å; F430-M600 HydrophobicContact CG-CE 4.29Å; F430-M600 HydrophobicContact CZ-CB 4.38Å; F430-M600 HydrophobicContact CZ-CE 3.47Å; F430-M600 VanDerWaalsContact CZ-CE 3.47Å; Q597-M600 HydrophobicContact CB-CB 4.45Å; Q597-M600 PolarHBondContact O-N 2.81Å; W598-M600 VanDerWaalsContact C-N 3.34Å; W598-M600 PolarHBondContact O-N 3.01Å; M600-D604 WeakPolarHBondContact O-CA 3.47Å; M600-D604 PolarHBondContact O-N 3.15Å; M600-P605 HydrophobicContact CE-CG 4.13Å |
| 601 | K | 81.8 | Confident | 83.9 | Confident | 48 Ų | 48 | 32.1 Ų | 32.1 | 21% | 0.209 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -73.5 | -32.7 | 176.3 | -74.5 | 175.2 | 173.3 | -140.4 | 0 | 113.2 | S481 F482 E483 Q597 W598 L599 | S481-K601 PolarHBondContact OG-NZ 3.34Å; F482-K601 HydrophobicContact CB-CD 4.48Å; F482-K601 HydrophobicContact CD1-CB 4.36Å; E483-K601 VanDerWaalsContact CD-NZ 3.29Å; E483-K601 IonicContact OE1-NZ 2.85Å; E483-K601 PolarHBondContact OE1-NZ 2.96Å; E483-K601 IonicContact OE2-NZ 3.98Å; E483-K601 PolarHBondContact OE2-NZ 2.69Å; Q597-K601 WeakPolarHBondContact O-CB 2.82Å; Q597-K601 VanDerWaalsContact O-CG 3.26Å; Q597-K601 WeakPolarHBondContact O-CG 3.19Å; Q597-K601 PolarHBondContact O-N 2.81Å; W598-K601 PolarHBondContact O-N 3.22Å; L599-K601 VanDerWaalsContact C-N 3.33Å; L599-K601 PolarHBondContact O-N 3.45Å |
| 602 | N | 84 | Confident | 83.8 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -83.4 | -29.3 | -179 | -170.5 | 42.4 | 0 | 0 | 0 | 112.5 | F482 L543 D544 C547 W598 L599 T657 V658 S659 | F482-N602 HydrophobicContact CZ-CB 4.3Å; F482-N602 WeakPolarHBondContact CZ-OD1 3.37Å; L543-N602 HydrophobicContact CD2-CB 3.87Å; L543-N602 HydrophobicContact CG-CB 4.25Å; D544-N602 PolarHBondContact OD1-ND2 2.84Å; C547-N602 PolarHBondContact SG-ND2 3.43Å; C547-N602 VanDerWaalsContact SG-ND2 3.43Å; W598-N602 VanDerWaalsContact O-CB 3.23Å; W598-N602 WeakPolarHBondContact O-CB 3.41Å; W598-N602 PolarHBondContact O-N 2.85Å; L599-N602 PolarHBondContact O-N 3.22Å; N602-T657 CarbonylContact O-C 3.54Å; N602-T657 WeakPolarHBondContact O-CA 3.13Å; N602-T657 WeakPolarHBondContact O-CB 3.45Å; N602-T657 WeakPolarHBondContact OD1-CB 3.33Å; N602-V658 PolarHBondContact O-N 3.37Å; N602-V658 PolarHBondContact OD1-N 2.86Å; N602-S659 VanDerWaalsContact OD1-CB 3.27Å; N602-S659 WeakPolarHBondContact OD1-CB 3.08Å; N602-S659 PolarHBondContact OD1-N 3.34Å; N602-S659 PolarHBondContact OD1-OG 2.84Å |
| 603 | M | 76.4 | Confident | 83.8 | Confident | 69 Ų | 69 | 31.7 Ų | 31.7 | 34% | 0.34 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -78.4 | -38.5 | 168.1 | -66.1 | -175.4 | 86.9 | 0 | 0 | 113.1 | C547 L599 | C547-M603 HydrophobicContact CB-CG 3.63Å; C547-M603 HydrophobicContact CB-SD 4.16Å; C547-M603 WeakPolarHBondContact O-CE 3.33Å; L599-M603 WeakPolarHBondContact O-CG 3.35Å; L599-M603 PolarHBondContact O-N 2.89Å |
| 604 | D | 74.6 | Confident | 83.8 | Confident | 13 Ų | 13 | 31.7 Ų | 31.7 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | trans | 42.7 | 49.3 | -174 | -154.3 | 31.3 | 0 | 0 | 0 | 115.4 | K279 K437 M600 L606 V658 | K279-D604 VanDerWaalsContact CE-OD2 3.31Å; K279-D604 WeakPolarHBondContact CE-OD2 3.24Å; K279-D604 IonicContact NZ-OD2 2.72Å; K279-D604 PolarHBondContact NZ-OD2 2.88Å; K437-D604 WeakPolarHBondContact CE-OD1 3.42Å; K437-D604 IonicContact NZ-OD1 3.36Å; K437-D604 PolarHBondContact NZ-OD1 2.83Å; M600-D604 WeakPolarHBondContact O-CA 3.47Å; M600-D604 PolarHBondContact O-N 3.15Å; D604-L606 PolarHBondContact O-N 3.17Å; D604-V658 HydrophobicContact CB-CG2 4.09Å | ||
| 605 | P | 71.6 | Confident | 83.8 | Confident | 34 Ų | 34 | 32.2 Ų | 32.2 | 22% | 0.221 | 17% | 0.172 | C | C | . | . | trans | -68.2 | 125.6 | -166.2 | 27.2 | -33.8 | 0 | 0 | 0 | 112.3 | F430 M600 | F430-P605 HydrophobicContact CE1-CG 3.91Å; F430-P605 HydrophobicContact CZ-CG 4.31Å; M600-P605 HydrophobicContact CE-CG 4.13Å | ||
| 606 | L | 78.1 | Confident | 83.8 | Confident | 13 Ų | 13 | 35.5 Ų | 35.5 | 7% | 0.068 | 20% | 0.199 | C | C | . | . | trans | -89.4 | 152.7 | 176.5 | -56 | -175.4 | 0 | 0 | 0 | 111.2 | A434 D604 D608 V611 W626 V632 | A434-L606 HydrophobicContact CB-CD2 4.24Å; D604-L606 PolarHBondContact O-N 3.17Å; L606-D608 PolarHBondContact O-N 3.2Å; L606-V611 HydrophobicContact CB-CG2 4.02Å; L606-V611 HydrophobicContact CD1-CG2 4.34Å; L606-W626 HydrophobicContact CD1-CH2 4.44Å; L606-W626 HydrophobicContact CD1-CZ3 4.35Å; L606-V632 HydrophobicContact CD1-CB 4.31Å; L606-V632 HydrophobicContact CD1-CG1 3.79Å; L606-V632 HydrophobicContact CG-CG1 4.34Å | ||
| 607 | N | 81.7 | Confident | 84.1 | Confident | 21 Ų | 21 | 31 Ų | 31 | 11% | 0.112 | 18% | 0.175 | C | C | . | . | trans | -84.2 | 102.5 | 174.5 | -177.4 | -15 | 0 | 0 | 0 | 110.3 | A406 N609 V610 V611 | A406-N607 PolarHBondContact O-ND2 2.97Å; N607-N609 PolarHBondContact O-N 3.11Å; N607-N609 WeakPolarHBondContact OD1-CB 3.17Å; N607-N609 PolarHBondContact OD1-N 3.02Å; N607-N609 VanDerWaalsContact OD1-N 3.13Å; N607-V610 HydrophobicContact CB-CB 4.37Å; N607-V610 HydrophobicContact CB-CG2 4.1Å; N607-V610 WeakPolarHBondContact O-CA 3.5Å; N607-V610 PolarHBondContact O-N 2.78Å; N607-V611 PolarHBondContact O-N 3.07Å | ||
| 608 | D | 80.8 | Confident | 84.5 | Confident | 29 Ų | 29 | 33.5 Ų | 33.5 | 16% | 0.155 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -42 | -39.5 | 177.9 | -63.7 | -24.8 | 0 | 0 | 0 | 114.2 | L606 V610 V611 A612 S633 M634 S635 | L606-D608 PolarHBondContact O-N 3.2Å; D608-V610 PolarHBondContact O-N 3.25Å; D608-V611 PolarHBondContact O-N 3.44Å; D608-A612 WeakPolarHBondContact O-CB 3.02Å; D608-A612 PolarHBondContact O-N 3.03Å; D608-S633 WeakPolarHBondContact OD1-CA 3.46Å; D608-S633 VanDerWaalsContact OD1-CB 3.28Å; D608-S633 WeakPolarHBondContact OD1-CB 3.26Å; D608-S633 PolarHBondContact OD1-OG 3.02Å; D608-S633 PolarHBondContact OD2-OG 2.89Å; D608-M634 PolarHBondContact OD1-N 3.02Å; D608-S635 WeakPolarHBondContact OD2-CB 3.15Å; D608-S635 PolarHBondContact OD2-N 3.03Å; D608-S635 PolarHBondContact OD2-OG 3.36Å |
| 609 | N | 86.5 | Confident | 84.6 | Confident | 38 Ų | 38 | 34.5 Ų | 34.5 | 20% | 0.203 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.7 | -36.1 | -178.4 | -66.8 | -109 | 0 | 0 | 0 | 111.5 | A406 P410 R411 N607 L613 | A406-N609 HydrophobicContact CB-CB 3.68Å; P410-N609 WeakPolarHBondContact CB-ND2 3.02Å; R411-N609 PolarHBondContact N-ND2 2.72Å; R411-N609 PolarHBondContact N-OD1 2.68Å; R411-N609 PolarHBondContact O-ND2 2.88Å; R411-N609 PolarHBondContact O-OD1 3.41Å; N607-N609 PolarHBondContact O-N 3.11Å; N607-N609 WeakPolarHBondContact OD1-CB 3.17Å; N607-N609 PolarHBondContact OD1-N 3.02Å; N607-N609 VanDerWaalsContact OD1-N 3.13Å; N609-L613 VanDerWaalsContact O-CG 3.29Å; N609-L613 WeakPolarHBondContact O-CG 3.05Å; N609-L613 PolarHBondContact O-N 2.7Å |
| 610 | V | 88 | Confident | 84.9 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -77.5 | -36.1 | 176.7 | -176 | 0 | 0 | 0 | 0 | 110.5 | A406 F407 I435 N607 D608 L613 L614 | A406-V610 HydrophobicContact CB-CG2 3.73Å; F407-V610 HydrophobicContact CD1-CG2 4.14Å; F407-V610 HydrophobicContact CD2-CG2 4.33Å; F407-V610 HydrophobicContact CE1-CG2 3.94Å; F407-V610 HydrophobicContact CE2-CG1 4.34Å; F407-V610 HydrophobicContact CE2-CG2 4.15Å; F407-V610 HydrophobicContact CG-CG2 4.32Å; F407-V610 HydrophobicContact CZ-CG1 3.99Å; F407-V610 HydrophobicContact CZ-CG2 3.95Å; I435-V610 HydrophobicContact CD1-CB 4.02Å; I435-V610 HydrophobicContact CD1-CG1 3.89Å; I435-V610 HydrophobicContact CG1-CB 4.28Å; I435-V610 HydrophobicContact CG1-CG1 4Å; I435-V610 HydrophobicContact CG2-CG1 4.13Å; N607-V610 HydrophobicContact CB-CB 4.37Å; N607-V610 HydrophobicContact CB-CG2 4.1Å; N607-V610 WeakPolarHBondContact O-CA 3.5Å; N607-V610 PolarHBondContact O-N 2.78Å; D608-V610 PolarHBondContact O-N 3.25Å; V610-L613 PolarHBondContact O-N 3.41Å; V610-L614 HydrophobicContact CG1-CD1 4.06Å; V610-L614 HydrophobicContact CG1-CG 4.48Å; V610-L614 VanDerWaalsContact O-CG 3.32Å; V610-L614 WeakPolarHBondContact O-CG 3.43Å; V610-L614 PolarHBondContact O-N 2.87Å |
| 611 | V | 87.6 | Confident | 85.6 | Confident | 8 Ų | 8 | 35.3 Ų | 35.3 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.1 | -48.7 | 173.3 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | I435 L606 N607 D608 L613 L614 Q615 W626 A629 | I435-V611 HydrophobicContact CD1-CG2 4.36Å; L606-V611 HydrophobicContact CB-CG2 4.02Å; L606-V611 HydrophobicContact CD1-CG2 4.34Å; N607-V611 PolarHBondContact O-N 3.07Å; D608-V611 PolarHBondContact O-N 3.44Å; V611-L613 VanDerWaalsContact C-N 3.33Å; V611-L613 PolarHBondContact O-N 3.31Å; V611-L614 PolarHBondContact O-N 2.73Å; V611-L614 VanDerWaalsContact O-N 3.14Å; V611-Q615 WeakPolarHBondContact O-CG 3.4Å; V611-Q615 PolarHBondContact O-N 2.71Å; V611-W626 HydrophobicContact CB-CZ3 4.43Å; V611-W626 HydrophobicContact CG1-CE3 4.01Å; V611-W626 HydrophobicContact CG1-CZ3 4.1Å; V611-W626 HydrophobicContact CG2-CZ3 3.9Å; V611-A629 HydrophobicContact CG1-CB 3.57Å |
| 612 | A | 87 | Confident | 86.1 | Confident | 51 Ų | 51 | 33.1 Ų | 33.1 | 42% | 0.421 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.5 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D608 L614 Q615 A616 | D608-A612 WeakPolarHBondContact O-CB 3.02Å; D608-A612 PolarHBondContact O-N 3.03Å; A612-L614 VanDerWaalsContact C-N 3.34Å; A612-L614 PolarHBondContact O-N 3.42Å; A612-Q615 PolarHBondContact O-N 3.2Å; A612-A616 WeakPolarHBondContact O-CB 3.47Å; A612-A616 PolarHBondContact O-N 2.74Å |
| 613 | L | 89.7 | Confident | 86.3 | Confident | 30 Ų | 30 | 37.3 Ų | 37.3 | 16% | 0.157 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67 | -32.1 | 174.9 | -73.5 | 169.1 | 0 | 0 | 0 | 113 | I398 E402 A406 N609 V610 V611 A616 S617 | I398-L613 VanDerWaalsContact CG2-O 3.31Å; I398-L613 WeakPolarHBondContact CG2-O 3.46Å; E402-L613 HydrophobicContact CB-CD1 4Å; E402-L613 HydrophobicContact CB-CD2 3.82Å; E402-L613 WeakPolarHBondContact O-CD1 3.3Å; A406-L613 HydrophobicContact CB-CD1 3.79Å; N609-L613 VanDerWaalsContact O-CG 3.29Å; N609-L613 WeakPolarHBondContact O-CG 3.05Å; N609-L613 PolarHBondContact O-N 2.7Å; V610-L613 PolarHBondContact O-N 3.41Å; V611-L613 VanDerWaalsContact C-N 3.33Å; V611-L613 PolarHBondContact O-N 3.31Å; L613-A616 CarbonylContact O-C 3.45Å; L613-A616 PolarHBondContact O-N 2.65Å; L613-S617 PolarHBondContact O-N 2.61Å; L613-S617 VanDerWaalsContact O-N 3.1Å |
| 614 | L | 91.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -77.1 | -35.7 | 175.8 | -68.6 | 166.9 | 0 | 0 | 0 | 112 | L396 I398 I435 V610 V611 A612 A616 S617 V622 W626 | L396-L614 HydrophobicContact CB-CD2 4.47Å; L396-L614 HydrophobicContact CD1-CD2 4.19Å; I398-L614 HydrophobicContact CD1-CD2 4.24Å; I398-L614 HydrophobicContact CG2-CD2 4.17Å; I435-L614 HydrophobicContact CG2-CD1 4.29Å; V610-L614 HydrophobicContact CG1-CD1 4.06Å; V610-L614 HydrophobicContact CG1-CG 4.48Å; V610-L614 VanDerWaalsContact O-CG 3.32Å; V610-L614 WeakPolarHBondContact O-CG 3.43Å; V610-L614 PolarHBondContact O-N 2.87Å; V611-L614 PolarHBondContact O-N 2.73Å; V611-L614 VanDerWaalsContact O-N 3.14Å; A612-L614 VanDerWaalsContact C-N 3.34Å; A612-L614 PolarHBondContact O-N 3.42Å; L614-A616 VanDerWaalsContact C-N 3.27Å; L614-A616 PolarHBondContact O-N 3.21Å; L614-S617 WeakPolarHBondContact O-CB 3.48Å; L614-S617 PolarHBondContact O-N 3.38Å; L614-V622 HydrophobicContact CB-CG1 4.35Å; L614-V622 HydrophobicContact CD2-CG1 3.87Å; L614-W626 HydrophobicContact CB-CB 4.32Å; L614-W626 HydrophobicContact CB-CD2 3.92Å; L614-W626 HydrophobicContact CB-CG 3.75Å; L614-W626 HydrophobicContact CD1-CD2 4.16Å; L614-W626 HydrophobicContact CD1-CH2 4.28Å; L614-W626 HydrophobicContact CD1-CZ2 3.75Å |
| 615 | Q | 89.1 | Confident | 87.5 | Confident | 56 Ų | 56 | 36 Ų | 36 | 26% | 0.262 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.5 | -36.1 | 168.3 | -72.5 | 175 | -65.4 | 0 | 0 | 111.9 | V611 A612 W626 A629 | V611-Q615 WeakPolarHBondContact O-CG 3.4Å; V611-Q615 PolarHBondContact O-N 2.71Å; A612-Q615 PolarHBondContact O-N 3.2Å; Q615-W626 HydrophobicContact CG-CB 4Å; Q615-W626 WeakPolarHBondContact CG-O 3.28Å; Q615-A629 HydrophobicContact CG-CB 4.47Å |
| 616 | A | 89.8 | Confident | 88.3 | Confident | 69 Ų | 69 | 34.4 Ų | 34.4 | 57% | 0.57 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96 | 21.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A612 L613 L614 | A612-A616 WeakPolarHBondContact O-CB 3.47Å; A612-A616 PolarHBondContact O-N 2.74Å; L613-A616 CarbonylContact O-C 3.45Å; L613-A616 PolarHBondContact O-N 2.65Å; L614-A616 VanDerWaalsContact C-N 3.27Å; L614-A616 PolarHBondContact O-N 3.21Å |
| 617 | S | 92.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | trans | -63.1 | 151.2 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 112 | L396 L613 L614 D619 Q623 | L396-S617 PolarHBondContact O-OG 3.3Å; L613-S617 PolarHBondContact O-N 2.61Å; L613-S617 VanDerWaalsContact O-N 3.1Å; L614-S617 WeakPolarHBondContact O-CB 3.48Å; L614-S617 PolarHBondContact O-N 3.38Å; S617-D619 VanDerWaalsContact C-N 3.26Å; S617-D619 PolarHBondContact O-N 2.69Å; S617-D619 PolarHBondContact OG-N 2.94Å; S617-Q623 WeakPolarHBondContact O-CG 3.43Å; S617-Q623 PolarHBondContact O-NE2 2.89Å | ||
| 618 | N | 92.4 | Very high | 87.7 | Confident | 131 Ų | 131 | 42.4 Ų | 42.4 | 70% | 0.701 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -76.6 | -8.5 | 170.7 | -62.6 | -77.8 | 0 | 0 | 0 | 113.7 | G397 P620 | G397-N618 WeakPolarHBondContact O-CB 3.3Å; G397-N618 PolarHBondContact O-N 2.82Å; G397-N618 PolarHBondContact O-ND2 2.75Å; N618-P620 WeakPolarHBondContact O-CD 3.48Å |
| 619 | D | 90.8 | Very high | 86.9 | Confident | 20 Ų | 20 | 41.1 Ų | 41.1 | 11% | 0.107 | 24% | 0.235 | C | C | . | . | trans | -93.9 | 114.4 | 175.6 | -169.9 | -33.2 | 0 | 0 | 0 | 110.3 | R359 S617 F621 V622 Q623 | R359-D619 IonicContact CZ-OD2 3.98Å; R359-D619 IonicContact NE-OD2 3.66Å; R359-D619 PolarHBondContact NE-OD2 3.4Å; R359-D619 IonicContact NH2-OD1 3.74Å; R359-D619 IonicContact NH2-OD2 2.8Å; R359-D619 PolarHBondContact NH2-OD2 3.23Å; S617-D619 VanDerWaalsContact C-N 3.26Å; S617-D619 PolarHBondContact O-N 2.69Å; S617-D619 PolarHBondContact OG-N 2.94Å; D619-F621 PolarHBondContact O-N 2.73Å; D619-F621 VanDerWaalsContact O-N 3.16Å; D619-F621 VanDerWaalsContact OD1-CB 3.29Å; D619-F621 WeakPolarHBondContact OD1-CB 3.16Å; D619-F621 PolarHBondContact OD1-N 3.04Å; D619-V622 HydrophobicContact CB-CB 4.19Å; D619-V622 HydrophobicContact CB-CG2 3.87Å; D619-V622 PolarHBondContact O-N 2.77Å; D619-Q623 PolarHBondContact O-N 3.33Å | ||
| 620 | P | 91.4 | Very high | 85.2 | Confident | 91 Ų | 91 | 44.3 Ų | 44.3 | 59% | 0.591 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.3 | -26.2 | -179.5 | -25.1 | 35.2 | 0 | 0 | 0 | 114.2 | N618 A624 | N618-P620 WeakPolarHBondContact O-CD 3.48Å; P620-A624 VanDerWaalsContact O-CB 3.28Å; P620-A624 WeakPolarHBondContact O-CB 3.1Å; P620-A624 PolarHBondContact O-N 2.81Å |
| 621 | F | 92.2 | Very high | 83.3 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.3 | -41.2 | 175.6 | -175.1 | -97.7 | 0 | 0 | 0 | 111 | A356 I357 V360 L443 W446 D619 A624 M625 | A356-F621 HydrophobicContact CB-CB 3.8Å; A356-F621 HydrophobicContact CB-CD1 3.7Å; A356-F621 HydrophobicContact CB-CD2 3.81Å; A356-F621 HydrophobicContact CB-CE1 4.19Å; A356-F621 HydrophobicContact CB-CE2 4.29Å; A356-F621 HydrophobicContact CB-CG 3.5Å; A356-F621 VanDerWaalsContact CB-CG 3.5Å; A356-F621 HydrophobicContact CB-CZ 4.48Å; I357-F621 HydrophobicContact CG1-CE1 4.4Å; I357-F621 HydrophobicContact CG1-CE2 4.23Å; I357-F621 HydrophobicContact CG1-CZ 3.63Å; V360-F621 HydrophobicContact CG2-CD1 3.97Å; V360-F621 HydrophobicContact CG2-CE1 3.95Å; L443-F621 HydrophobicContact CD1-CE1 3.81Å; L443-F621 HydrophobicContact CD1-CZ 3.77Å; W446-F621 HydrophobicContact CD2-CE2 4.02Å; W446-F621 HydrophobicContact CD2-CZ 4.29Å; W446-F621 AromaticContact CE2-CE2 3.75Å; W446-F621 HydrophobicContact CE3-CE2 4.11Å; W446-F621 HydrophobicContact CE3-CZ 4.25Å; W446-F621 AromaticContact CH2-CE2 3.8Å; W446-F621 HydrophobicContact CH2-CE2 3.8Å; W446-F621 HydrophobicContact CZ2-CD2 4.26Å; W446-F621 AromaticContact CZ2-CE2 3.65Å; W446-F621 HydrophobicContact CZ2-CE2 3.65Å; W446-F621 HydrophobicContact CZ3-CE2 4.02Å; W446-F621 HydrophobicContact CZ3-CZ 4.44Å; D619-F621 PolarHBondContact O-N 2.73Å; D619-F621 VanDerWaalsContact O-N 3.16Å; D619-F621 VanDerWaalsContact OD1-CB 3.29Å; D619-F621 WeakPolarHBondContact OD1-CB 3.16Å; D619-F621 PolarHBondContact OD1-N 3.04Å; F621-A624 PolarHBondContact O-N 2.82Å; F621-M625 HydrophobicContact CD1-SD 3.86Å; F621-M625 HydrophobicContact CE1-CG 4.33Å; F621-M625 HydrophobicContact CE1-SD 3.46Å; F621-M625 WeakPolarHBondContact CE1-SD 3.35Å; F621-M625 HydrophobicContact CZ-SD 4.22Å; F621-M625 WeakPolarHBondContact O-CG 3.17Å; F621-M625 PolarHBondContact O-N 3.26Å |
| 622 | V | 92 | Very high | 81.4 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 175.2 | -179 | 0 | 0 | 0 | 0 | 110.2 | V360 L396 L614 D619 A624 M625 W626 | V360-V622 HydrophobicContact CG2-CG2 4.35Å; L396-V622 HydrophobicContact CD2-CG2 4.44Å; L614-V622 HydrophobicContact CB-CG1 4.35Å; L614-V622 HydrophobicContact CD2-CG1 3.87Å; D619-V622 HydrophobicContact CB-CB 4.19Å; D619-V622 HydrophobicContact CB-CG2 3.87Å; D619-V622 PolarHBondContact O-N 2.77Å; V622-A624 VanDerWaalsContact C-N 3.31Å; V622-A624 PolarHBondContact O-N 3.12Å; V622-M625 PolarHBondContact O-N 3.18Å; V622-W626 VanDerWaalsContact O-CD1 3.29Å; V622-W626 PolarHBondContact O-N 2.7Å; V622-W626 VanDerWaalsContact O-N 3.09Å |
| 623 | Q | 89.9 | Confident | 79.2 | Confident | 89 Ų | 89 | 51.8 Ų | 51.8 | 42% | 0.416 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -54.4 | -47.1 | 172 | -65 | -172.5 | -4.9 | 0 | 0 | 111.5 | S617 D619 M625 W626 K627 | S617-Q623 WeakPolarHBondContact O-CG 3.43Å; S617-Q623 PolarHBondContact O-NE2 2.89Å; D619-Q623 PolarHBondContact O-N 3.33Å; Q623-M625 VanDerWaalsContact C-N 3.31Å; Q623-M625 PolarHBondContact O-N 2.88Å; Q623-W626 CarbonylContact O-C 3.47Å; Q623-W626 PolarHBondContact O-N 3.48Å; Q623-W626 VanDerWaalsContact O-N 3.08Å; Q623-K627 PolarHBondContact O-N 3.32Å |
| 624 | A | 87.5 | Confident | 76.9 | Confident | 42 Ų | 42 | 54.2 Ų | 54.2 | 35% | 0.347 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.5 | -28.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | P620 F621 V622 | P620-A624 VanDerWaalsContact O-CB 3.28Å; P620-A624 WeakPolarHBondContact O-CB 3.1Å; P620-A624 PolarHBondContact O-N 2.81Å; F621-A624 PolarHBondContact O-N 2.82Å; V622-A624 VanDerWaalsContact C-N 3.31Å; V622-A624 PolarHBondContact O-N 3.12Å |
| 625 | M | 88.8 | Confident | 74.3 | Confident | 11 Ų | 11 | 55.6 Ų | 55.6 | 5% | 0.054 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -73.6 | -30.6 | 171.1 | -74.1 | 175.6 | 55.1 | 0 | 0 | 113.1 | V360 I439 R442 L443 F621 V622 Q623 | V360-M625 HydrophobicContact CG1-CE 4.18Å; V360-M625 HydrophobicContact CG1-SD 4.4Å; V360-M625 HydrophobicContact CG2-SD 4.36Å; I439-M625 HydrophobicContact CG2-CE 4.33Å; I439-M625 VanDerWaalsContact O-CE 3.26Å; I439-M625 WeakPolarHBondContact O-CE 3.19Å; R442-M625 HydrophobicContact CB-CB 4.48Å; R442-M625 HydrophobicContact CB-CE 3.81Å; R442-M625 PolarHBondContact NH1-O 3.14Å; L443-M625 HydrophobicContact CB-CE 3.91Å; L443-M625 HydrophobicContact CD1-SD 4.16Å; F621-M625 HydrophobicContact CD1-SD 3.86Å; F621-M625 HydrophobicContact CE1-CG 4.33Å; F621-M625 HydrophobicContact CE1-SD 3.46Å; F621-M625 WeakPolarHBondContact CE1-SD 3.35Å; F621-M625 HydrophobicContact CZ-SD 4.22Å; F621-M625 WeakPolarHBondContact O-CG 3.17Å; F621-M625 PolarHBondContact O-N 3.26Å; V622-M625 PolarHBondContact O-N 3.18Å; Q623-M625 VanDerWaalsContact C-N 3.31Å; Q623-M625 PolarHBondContact O-N 2.88Å |
| 626 | W | 87.8 | Confident | 71.7 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -105.6 | -10.3 | -170.6 | -74.7 | 94.1 | 0 | 0 | 0 | 115.2 | S438 I439 R442 L606 V611 L614 Q615 V622 Q623 D628 A629 | S438-W626 WeakPolarHBondContact OG-CH2 3.07Å; I439-W626 HydrophobicContact CG1-CZ2 3.78Å; R442-W626 VanDerWaalsContact NE-CZ3 3.31Å; L606-W626 HydrophobicContact CD1-CH2 4.44Å; L606-W626 HydrophobicContact CD1-CZ3 4.35Å; V611-W626 HydrophobicContact CB-CZ3 4.43Å; V611-W626 HydrophobicContact CG1-CE3 4.01Å; V611-W626 HydrophobicContact CG1-CZ3 4.1Å; V611-W626 HydrophobicContact CG2-CZ3 3.9Å; L614-W626 HydrophobicContact CB-CB 4.32Å; L614-W626 HydrophobicContact CB-CD2 3.92Å; L614-W626 HydrophobicContact CB-CG 3.75Å; L614-W626 HydrophobicContact CD1-CD2 4.16Å; L614-W626 HydrophobicContact CD1-CH2 4.28Å; L614-W626 HydrophobicContact CD1-CZ2 3.75Å; Q615-W626 HydrophobicContact CG-CB 4Å; Q615-W626 WeakPolarHBondContact CG-O 3.28Å; V622-W626 VanDerWaalsContact O-CD1 3.29Å; V622-W626 PolarHBondContact O-N 2.7Å; V622-W626 VanDerWaalsContact O-N 3.09Å; Q623-W626 CarbonylContact O-C 3.47Å; Q623-W626 PolarHBondContact O-N 3.48Å; Q623-W626 VanDerWaalsContact O-N 3.08Å; W626-D628 PolarHBondContact O-N 3.03Å; W626-A629 HydrophobicContact CE3-CB 3.67Å; W626-A629 HydrophobicContact CZ3-CB 4.24Å; W626-A629 WeakPolarHBondContact O-CB 3.39Å; W626-A629 PolarHBondContact O-N 3.22Å |
| 627 | K | 78.5 | Confident | 69 | Low | 143 Ų | 143 | 55.9 Ų | 55.9 | 62% | 0.622 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -46.2 | -39.7 | 176.3 | 64.7 | 174.1 | -172.3 | 131.7 | 0 | 114.6 | Q623 A629 | Q623-K627 PolarHBondContact O-N 3.32Å; K627-A629 VanDerWaalsContact C-N 3.26Å; K627-A629 PolarHBondContact O-N 3.38Å |
| 628 | D | 68.3 | Low | 66.2 | Low | 59 Ų | 59 | 60 Ų | 60 | 32% | 0.316 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -82.2 | 8.1 | -176.5 | -85.7 | 54.4 | 0 | 0 | 0 | 113 | W626 R648 | W626-D628 PolarHBondContact O-N 3.03Å; D628-R648 IonicContact OD2-CZ 2.82Å; D628-R648 IonicContact OD2-NH1 3.57Å; D628-R648 PolarHBondContact OD2-NH1 3Å; D628-R648 IonicContact OD2-NH2 2.75Å; D628-R648 PolarHBondContact OD2-NH2 3.32Å |
| 629 | A | 64.2 | Low | 63.3 | Low | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -82.7 | -12.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | V611 Q615 W626 K627 I631 V632 | V611-A629 HydrophobicContact CG1-CB 3.57Å; Q615-A629 HydrophobicContact CG-CB 4.47Å; W626-A629 HydrophobicContact CE3-CB 3.67Å; W626-A629 HydrophobicContact CZ3-CB 4.24Å; W626-A629 WeakPolarHBondContact O-CB 3.39Å; W626-A629 PolarHBondContact O-N 3.22Å; K627-A629 VanDerWaalsContact C-N 3.26Å; K627-A629 PolarHBondContact O-N 3.38Å; A629-I631 PolarHBondContact O-N 3.38Å; A629-V632 PolarHBondContact O-N 2.98Å |
| 630 | E | 50.4 | Low | 60.6 | Low | 105 Ų | 105 | 62.6 Ų | 62.6 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -55.4 | -28.7 | -179.2 | -58.4 | -176.9 | 155.9 | 0 | 0 | 113 | V632 | E630-V632 VanDerWaalsContact C-N 3.28Å; E630-V632 PolarHBondContact O-N 3.47Å |
| 631 | I | 47.9 | Very low | 57.7 | Low | 120 Ų | 120 | 62.4 Ų | 62.4 | 62% | 0.615 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -70.7 | -19.1 | -179.8 | -55.6 | 175.5 | 0 | 0 | 0 | 112.8 | A629 | A629-I631 PolarHBondContact O-N 3.38Š|
| 632 | V | 49 | Very low | 54.9 | Low | 74 Ų | 74 | 66.3 Ų | 66.3 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -104.2 | 4.1 | -171.3 | -154.6 | 0 | 0 | 0 | 0 | 112.6 | L606 A629 E630 | L606-V632 HydrophobicContact CD1-CB 4.31Å; L606-V632 HydrophobicContact CD1-CG1 3.79Å; L606-V632 HydrophobicContact CG-CG1 4.34Å; A629-V632 PolarHBondContact O-N 2.98Å; E630-V632 VanDerWaalsContact C-N 3.28Å; E630-V632 PolarHBondContact O-N 3.47Å |
| 633 | S | 40.4 | Very low | 51.9 | Low | 25 Ų | 25 | 70 Ų | 70 | 18% | 0.175 | 41% | 0.406 | C | S | . | . | trans | -83.5 | 138.9 | -176.2 | 175.1 | 0 | 0 | 0 | 0 | 112.7 | D608 S635 | D608-S633 WeakPolarHBondContact OD1-CA 3.46Å; D608-S633 VanDerWaalsContact OD1-CB 3.28Å; D608-S633 WeakPolarHBondContact OD1-CB 3.26Å; D608-S633 PolarHBondContact OD1-OG 3.02Å; D608-S633 PolarHBondContact OD2-OG 2.89Å; S633-S635 VanDerWaalsContact C-N 3.26Å; S633-S635 PolarHBondContact O-N 3.43Å; S633-S635 PolarHBondContact OG-N 3.2Å | ||
| 634 | M | 40.4 | Very low | 49.1 | Very low | 81 Ų | 81 | 76 Ų | 76 | 40% | 0.399 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -72.1 | -18.6 | 177.8 | -74.8 | -76.5 | -65.3 | 0 | 0 | 113.3 | D608 F655 | D608-M634 PolarHBondContact OD1-N 3.02Å; M634-F655 HydrophobicContact CE-CE1 4Å; M634-F655 HydrophobicContact CE-CZ 4.29Å; M634-F655 HydrophobicContact SD-CD1 3.78Å; M634-F655 HydrophobicContact SD-CE1 3.49Å; M634-F655 WeakPolarHBondContact SD-CE1 3.5Å; M634-F655 HydrophobicContact SD-CZ 4.33Å |
| 635 | S | 36.6 | Very low | 46.3 | Very low | 30 Ų | 30 | 77.1 Ų | 77.1 | 21% | 0.21 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -115.4 | -2.3 | -171.3 | 57.6 | 0 | 0 | 0 | 0 | 115.8 | D608 S633 T637 | D608-S635 WeakPolarHBondContact OD2-CB 3.15Å; D608-S635 PolarHBondContact OD2-N 3.03Å; D608-S635 PolarHBondContact OD2-OG 3.36Å; S633-S635 VanDerWaalsContact C-N 3.26Å; S633-S635 PolarHBondContact O-N 3.43Å; S633-S635 PolarHBondContact OG-N 3.2Å; S635-T637 VanDerWaalsContact C-N 3.26Å; S635-T637 PolarHBondContact O-N 2.87Å |
| 636 | A | 35.2 | Very low | 43.3 | Very low | 42 Ų | 42 | 81.9 Ų | 81.9 | 35% | 0.347 | 48% | 0.481 | S | S | . | . | trans | -73.5 | -7 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | T638 | A636-T638 PolarHBondContact O-N 3.44Š| ||
| 637 | T | 32.8 | Very low | 40.5 | Very low | 90 Ų | 90 | 86.1 Ų | 86.1 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 18.4 | -170.4 | 47.8 | 0 | 0 | 0 | 0 | 116.4 | S635 | S635-T637 VanDerWaalsContact C-N 3.26Å; S635-T637 PolarHBondContact O-N 2.87Å |
| 638 | T | 33.7 | Very low | 38.4 | Very low | 87 Ų | 87 | 87 Ų | 87 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.6 | -16.8 | -168.9 | 43.1 | 0 | 0 | 0 | 0 | 119.2 | K413 A636 | K413-T638 PolarHBondContact NZ-OG1 2.85Å; A636-T638 PolarHBondContact O-N 3.44Å |
| 639 | T | 31.5 | Very low | 36.6 | Very low | 104 Ų | 104 | 87.3 Ų | 87.3 | 64% | 0.638 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -145 | -0.9 | -160.4 | 37.7 | 0 | 0 | 0 | 0 | 121 | K413 | K413-T639 PolarHBondContact NZ-OG1 3.33Š|
| 640 | T | 33.4 | Very low | 35.3 | Very low | 101 Ų | 101 | 91.4 Ų | 91.4 | 62% | 0.62 | 55% | 0.547 | S | S | * | . | trans | -143.3 | 120.8 | -178.1 | 44.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 641 | D | 31.7 | Very low | 34.5 | Very low | 87 Ų | 87 | 92.2 Ų | 92.2 | 47% | 0.465 | 55% | 0.546 | S | S | . | . | trans | -102.7 | 120.9 | 169 | -95.5 | -69.3 | 0 | 0 | 0 | 110.7 | R652 | D641-R652 IonicContact OD1-CZ 2.69Å; D641-R652 IonicContact OD1-NH1 2.71Å; D641-R652 PolarHBondContact OD1-NH1 2.94Å; D641-R652 IonicContact OD1-NH2 3.9Å; D641-R652 PolarHBondContact OD1-NH2 2.87Å; D641-R652 IonicContact OD2-NH1 2.59Å | ||
| 642 | T | 32.8 | Very low | 33.9 | Very low | 98 Ų | 98 | 95.5 Ų | 95.5 | 60% | 0.601 | 55% | 0.551 | S | S | * | * | trans | -133.2 | 121.2 | 172.5 | 48.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 643 | A | 30.1 | Very low | 33.2 | Very low | 80 Ų | 80 | 95 Ų | 95 | 66% | 0.661 | 56% | 0.56 | S | S | * | * | trans | -102.3 | 92.9 | -165.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 644 | F | 29.4 | Very low | 33.2 | Very low | 214 Ų | 214 | 98 Ų | 98 | 94% | 0.939 | 57% | 0.572 | S | S | * | * | trans | -154.1 | 123.3 | 167 | -116 | -83.3 | 0 | 0 | 0 | 112.8 | ||||
| 645 | G | 28.9 | Very low | 33.9 | Very low | 66 Ų | 66 | 98.4 Ų | 98.4 | 68% | 0.68 | 57% | 0.572 | S | S | * | * | trans | 107.7 | 102.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | A647 | G645-A647 PolarHBondContact O-N 3.45Š| ||
| 646 | S | 26.8 | Very low | 35.3 | Very low | 111 Ų | 111 | 101.2 Ų | 101.2 | 78% | 0.776 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 28.7 | -170.8 | -168.7 | 0 | 0 | 0 | 0 | 117.2 | ||
| 647 | A | 29.3 | Very low | 37.3 | Very low | 91 Ų | 91 | 99.5 Ų | 99.5 | 75% | 0.752 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | -1.3 | -163.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | G645 | G645-A647 PolarHBondContact O-N 3.45Š|
| 648 | R | 34.2 | Very low | 39.6 | Very low | 160 Ų | 160 | 96.4 Ų | 96.4 | 60% | 0.604 | 54% | 0.544 | S | S | * | . | trans | -133.9 | 14.5 | -170.3 | -59.4 | -172.5 | -171.1 | 157.3 | 5.9 | 116.7 | D628 V650 | D628-R648 IonicContact OD2-CZ 2.82Å; D628-R648 IonicContact OD2-NH1 3.57Å; D628-R648 PolarHBondContact OD2-NH1 3Å; D628-R648 IonicContact OD2-NH2 2.75Å; D628-R648 PolarHBondContact OD2-NH2 3.32Å; R648-V650 VanDerWaalsContact C-N 3.31Å; R648-V650 PolarHBondContact O-N 3.02Å | ||
| 649 | S | 29.4 | Very low | 42 | Very low | 66 Ų | 66 | 92.3 Ų | 92.3 | 46% | 0.462 | 52% | 0.519 | S | S | . | . | trans | -78.7 | 23.7 | -164.8 | -169.8 | 0 | 0 | 0 | 0 | 117.4 | R651 K1626 | S649-R651 PolarHBondContact O-N 2.65Å; S649-R651 VanDerWaalsContact O-N 3.15Å; S649-K1626 WeakPolarHBondContact OG-CE 3.48Å; S649-K1626 PolarHBondContact OG-NZ 3.44Å | ||
| 650 | V | 36.7 | Very low | 44.3 | Very low | 87 Ų | 87 | 89.2 Ų | 89.2 | 53% | 0.527 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -83.8 | 96 | -177.5 | -176 | 0 | 0 | 0 | 0 | 111.6 | R648 | R648-V650 VanDerWaalsContact C-N 3.31Å; R648-V650 PolarHBondContact O-N 3.02Å |
| 651 | R | 35 | Very low | 46.5 | Very low | 123 Ų | 123 | 88.7 Ų | 88.7 | 46% | 0.464 | 49% | 0.491 | S | S | . | . | trans | 57.7 | 91.5 | 171.8 | -59.5 | -177.2 | -173 | 147.4 | 9.3 | 115.6 | S649 G653 D1633 | S649-R651 PolarHBondContact O-N 2.65Å; S649-R651 VanDerWaalsContact O-N 3.15Å; R651-G653 PolarHBondContact O-N 3.31Å; R651-D1633 IonicContact NH2-OD2 2.7Å; R651-D1633 PolarHBondContact NH2-OD2 2.91Å | ||
| 652 | R | 33.7 | Very low | 48.9 | Very low | 189 Ų | 189 | 85.3 Ų | 85.3 | 71% | 0.713 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | 45.2 | 167.9 | -66.5 | 177.1 | 168.6 | 179.5 | -10.1 | 113.8 | D641 | D641-R652 IonicContact OD1-CZ 2.69Å; D641-R652 IonicContact OD1-NH1 2.71Å; D641-R652 PolarHBondContact OD1-NH1 2.94Å; D641-R652 IonicContact OD1-NH2 3.9Å; D641-R652 PolarHBondContact OD1-NH2 2.87Å; D641-R652 IonicContact OD2-NH1 2.59Å |
| 653 | G | 34.6 | Very low | 51.4 | Low | 63 Ų | 63 | 83.4 Ų | 83.4 | 65% | 0.649 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -165.8 | 5.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | R651 | R651-G653 PolarHBondContact O-N 3.31Š|
| 654 | M | 40.8 | Very low | 53.8 | Low | 87 Ų | 87 | 82 Ų | 82 | 43% | 0.429 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -126.1 | 130.3 | 169.3 | -69.8 | 171.4 | 62.5 | 0 | 0 | 108 | R656 | M654-R656 PolarHBondContact O-N 3.35Š|
| 655 | F | 55 | Low | 56.2 | Low | 90 Ų | 90 | 72.6 Ų | 72.6 | 40% | 0.395 | 40% | 0.397 | S | S | . | . | trans | -63.5 | 125.2 | 166.9 | -50.4 | -96.7 | 0 | 0 | 0 | 107.9 | F548 M634 | F548-F655 HydrophobicContact CD1-CD2 4.3Å; F548-F655 HydrophobicContact CE1-CB 3.99Å; F548-F655 AromaticContact CE1-CD2 3.97Å; F548-F655 HydrophobicContact CE1-CD2 3.97Å; F548-F655 HydrophobicContact CE1-CG 4.47Å; F548-F655 WeakPolarHBondContact CZ-O 3.47Å; M634-F655 HydrophobicContact CE-CE1 4Å; M634-F655 HydrophobicContact CE-CZ 4.29Å; M634-F655 HydrophobicContact SD-CD1 3.78Å; M634-F655 HydrophobicContact SD-CE1 3.49Å; M634-F655 WeakPolarHBondContact SD-CE1 3.5Å; M634-F655 HydrophobicContact SD-CZ 4.33Å | ||
| 656 | R | 65.5 | Low | 59 | Low | 90 Ų | 90 | 69.6 Ų | 69.6 | 34% | 0.34 | 37% | 0.365 | S | S | . | . | trans | -87 | 110.8 | 174.5 | -86.5 | 174.6 | 154.3 | -92.8 | -1.1 | 109.1 | M654 L661 D664 | M654-R656 PolarHBondContact O-N 3.35Å; R656-L661 HydrophobicContact CB-CD2 4.13Å; R656-L661 HydrophobicContact CB-CG 4.17Å; R656-D664 IonicContact CZ-OD2 2.77Å; R656-D664 IonicContact NH1-OD2 3.15Å; R656-D664 PolarHBondContact NH1-OD2 2.79Å; R656-D664 IonicContact NH2-OD2 3.54Å; R656-D664 PolarHBondContact NH2-OD2 2.89Å | ||
| 657 | T | 77.9 | Confident | 61.9 | Low | 5 Ų | 5 | 67.6 Ų | 67.6 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | trans | -68.8 | 162.2 | 176.8 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | D544 C547 N602 S659 Q660 L661 | D544-T657 VanDerWaalsContact CG-OG1 3.23Å; D544-T657 WeakPolarHBondContact OD1-CB 3Å; D544-T657 PolarHBondContact OD1-OG1 2.89Å; D544-T657 PolarHBondContact OD2-OG1 3.34Å; C547-T657 HydrophobicContact CB-CG2 4.38Å; N602-T657 CarbonylContact O-C 3.54Å; N602-T657 WeakPolarHBondContact O-CA 3.13Å; N602-T657 WeakPolarHBondContact O-CB 3.45Å; N602-T657 WeakPolarHBondContact OD1-CB 3.33Å; T657-S659 VanDerWaalsContact C-N 3.27Å; T657-S659 PolarHBondContact O-N 2.86Å; T657-S659 PolarHBondContact OG1-OG 2.82Å; T657-Q660 PolarHBondContact O-N 3.49Å; T657-Q660 VanDerWaalsContact OG1-CD 3.3Å; T657-Q660 VanDerWaalsContact OG1-CG 3.27Å; T657-Q660 WeakPolarHBondContact OG1-CG 3.38Å; T657-Q660 PolarHBondContact OG1-NE2 3.4Å; T657-L661 WeakPolarHBondContact O-CG 2.93Å; T657-L661 PolarHBondContact O-N 2.78Å | ||
| 658 | V | 80 | Confident | 64.6 | Low | 25 Ų | 25 | 70.2 Ų | 70.2 | 15% | 0.152 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.1 | -37.8 | 178.6 | 179.9 | 0 | 0 | 0 | 0 | 111 | F482 N602 D604 Q660 L661 Y662 | F482-V658 HydrophobicContact CE1-CB 4.11Å; F482-V658 HydrophobicContact CE1-CG1 3.92Å; F482-V658 HydrophobicContact CZ-CB 4.42Å; F482-V658 HydrophobicContact CZ-CG1 4.46Å; N602-V658 PolarHBondContact O-N 3.37Å; N602-V658 PolarHBondContact OD1-N 2.86Å; D604-V658 HydrophobicContact CB-CG2 4.09Å; V658-Q660 PolarHBondContact O-N 2.78Å; V658-L661 PolarHBondContact O-N 3.08Å; V658-Y662 VanDerWaalsContact O-CB 3.26Å; V658-Y662 WeakPolarHBondContact O-CB 3.05Å; V658-Y662 PolarHBondContact O-N 2.93Å |
| 659 | S | 84 | Confident | 67.1 | Low | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57 | -44.8 | 173.6 | 66.8 | 0 | 0 | 0 | 0 | 112.2 | D544 N602 T657 Y662 K663 | D544-S659 VanDerWaalsContact CG-OG 3.31Å; D544-S659 PolarHBondContact OD1-OG 3.13Å; D544-S659 PolarHBondContact OD2-OG 2.87Å; N602-S659 VanDerWaalsContact OD1-CB 3.27Å; N602-S659 WeakPolarHBondContact OD1-CB 3.08Å; N602-S659 PolarHBondContact OD1-N 3.34Å; N602-S659 PolarHBondContact OD1-OG 2.84Å; T657-S659 VanDerWaalsContact C-N 3.27Å; T657-S659 PolarHBondContact O-N 2.86Å; T657-S659 PolarHBondContact OG1-OG 2.82Å; S659-Y662 PolarHBondContact O-N 3.02Å; S659-K663 WeakPolarHBondContact O-CB 3.07Å; S659-K663 PolarHBondContact O-N 2.82Å |
| 660 | Q | 81.6 | Confident | 70 | Confident | 40 Ų | 40 | 60.6 Ų | 60.6 | 19% | 0.187 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.6 | -44.8 | -178.5 | -70.5 | 171.7 | 16.8 | 0 | 0 | 111.4 | D544 T657 V658 Y662 K663 D664 | D544-Q660 VanDerWaalsContact OD2-CG 3.23Å; D544-Q660 WeakPolarHBondContact OD2-CG 3.03Å; D544-Q660 PolarHBondContact OD2-NE2 2.86Å; T657-Q660 PolarHBondContact O-N 3.49Å; T657-Q660 VanDerWaalsContact OG1-CD 3.3Å; T657-Q660 VanDerWaalsContact OG1-CG 3.27Å; T657-Q660 WeakPolarHBondContact OG1-CG 3.38Å; T657-Q660 PolarHBondContact OG1-NE2 3.4Å; V658-Q660 PolarHBondContact O-N 2.78Å; Q660-Y662 VanDerWaalsContact C-N 3.29Å; Q660-Y662 PolarHBondContact O-N 3.35Å; Q660-K663 PolarHBondContact O-N 3.34Å; Q660-D664 VanDerWaalsContact O-CB 3.3Å; Q660-D664 WeakPolarHBondContact O-CB 3.28Å; Q660-D664 PolarHBondContact O-N 3.43Å |
| 661 | L | 78.3 | Confident | 72.5 | Confident | 90 Ų | 90 | 59.8 Ų | 59.8 | 47% | 0.471 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 175.2 | -67.9 | 170.9 | 0 | 0 | 0 | 111.1 | R656 T657 V658 S665 | R656-L661 HydrophobicContact CB-CD2 4.13Å; R656-L661 HydrophobicContact CB-CG 4.17Å; T657-L661 WeakPolarHBondContact O-CG 2.93Å; T657-L661 PolarHBondContact O-N 2.78Å; V658-L661 PolarHBondContact O-N 3.08Å; L661-S665 WeakPolarHBondContact O-CB 2.83Å; L661-S665 PolarHBondContact O-N 2.68Å |
| 662 | Y | 81.9 | Confident | 75.1 | Confident | 16 Ų | 16 | 56 Ų | 56 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.2 | -50.2 | 177.1 | -176 | -126.8 | 0 | 0 | 0 | 112.4 | L276 C486 Y489 T490 V658 S659 Q660 D664 S665 L666 | L276-Y662 HydrophobicContact CB-CD2 3.71Å; L276-Y662 HydrophobicContact CB-CE2 3.39Å; L276-Y662 HydrophobicContact CD1-CD2 4.23Å; L276-Y662 HydrophobicContact CD1-CE2 4.49Å; L276-Y662 HydrophobicContact CD1-CG 4.46Å; L276-Y662 HydrophobicContact CD2-CD2 4.39Å; L276-Y662 HydrophobicContact CD2-CE1 4.27Å; L276-Y662 HydrophobicContact CD2-CE2 3.89Å; L276-Y662 HydrophobicContact CG-CD2 4.34Å; L276-Y662 HydrophobicContact CG-CE2 4.12Å; C486-Y662 HydrophobicContact CB-CD1 3.85Å; C486-Y662 HydrophobicContact CB-CE1 3.43Å; C486-Y662 VanDerWaalsContact CB-CE1 3.43Å; C486-Y662 WeakPolarHBondContact O-CE1 3.29Å; C486-Y662 PolarHBondContact O-OH 2.75Å; C486-Y662 VanDerWaalsContact O-OH 3.07Å; Y489-Y662 HydrophobicContact CD1-CE1 4.1Å; T490-Y662 VanDerWaalsContact OG1-CZ 3.29Å; T490-Y662 PolarHBondContact OG1-OH 3.2Å; V658-Y662 VanDerWaalsContact O-CB 3.26Å; V658-Y662 WeakPolarHBondContact O-CB 3.05Å; V658-Y662 PolarHBondContact O-N 2.93Å; S659-Y662 PolarHBondContact O-N 3.02Å; Q660-Y662 VanDerWaalsContact C-N 3.29Å; Q660-Y662 PolarHBondContact O-N 3.35Å; Y662-D664 VanDerWaalsContact C-N 3.34Å; Y662-D664 PolarHBondContact O-N 2.95Å; Y662-S665 PolarHBondContact O-N 3.27Å; Y662-S665 VanDerWaalsContact O-N 3.09Å; Y662-S665 PolarHBondContact O-OG 3.09Å; Y662-L666 PolarHBondContact O-N 2.84Å |
| 663 | K | 85.4 | Confident | 77.8 | Confident | 57 Ų | 57 | 47.1 Ų | 47.1 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.1 | -46.5 | 177.2 | 179.2 | 177.7 | 172.6 | -174.9 | 0 | 111.6 | E534 S659 Q660 S665 L666 I667 | E534-K663 HydrophobicContact CB-CD 4.33Å; E534-K663 PolarHBondContact O-NZ 3.4Å; E534-K663 WeakPolarHBondContact OE2-CE 2.82Å; S659-K663 WeakPolarHBondContact O-CB 3.07Å; S659-K663 PolarHBondContact O-N 2.82Å; Q660-K663 PolarHBondContact O-N 3.34Å; K663-S665 PolarHBondContact O-N 2.89Å; K663-L666 PolarHBondContact O-N 3.35Å; K663-I667 HydrophobicContact CG-CD1 3.81Å; K663-I667 WeakPolarHBondContact O-CB 2.87Å; K663-I667 VanDerWaalsContact O-CG1 3.27Å; K663-I667 WeakPolarHBondContact O-CG1 3.39Å; K663-I667 PolarHBondContact O-N 2.98Å |
| 664 | D | 81.3 | Confident | 80.4 | Confident | 50 Ų | 50 | 50.4 Ų | 50.4 | 27% | 0.267 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63 | -39.7 | 175.9 | -80.1 | 2.3 | 0 | 0 | 0 | 112.2 | R656 Q660 Y662 R668 | R656-D664 IonicContact CZ-OD2 2.77Å; R656-D664 IonicContact NH1-OD2 3.15Å; R656-D664 PolarHBondContact NH1-OD2 2.79Å; R656-D664 IonicContact NH2-OD2 3.54Å; R656-D664 PolarHBondContact NH2-OD2 2.89Å; Q660-D664 VanDerWaalsContact O-CB 3.3Å; Q660-D664 WeakPolarHBondContact O-CB 3.28Å; Q660-D664 PolarHBondContact O-N 3.43Å; Y662-D664 VanDerWaalsContact C-N 3.34Å; Y662-D664 PolarHBondContact O-N 2.95Å; D664-R668 PolarHBondContact O-N 3.48Å; D664-R668 PolarHBondContact O-NH1 3.18Å |
| 665 | S | 80.5 | Confident | 82.8 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 12% | 0.119 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64 | -44.9 | 175.6 | 77.1 | 0 | 0 | 0 | 0 | 111.5 | Y275 L661 Y662 K663 R668 L669 | Y275-S665 WeakPolarHBondContact CE1-O 3.07Å; L661-S665 WeakPolarHBondContact O-CB 2.83Å; L661-S665 PolarHBondContact O-N 2.68Å; Y662-S665 PolarHBondContact O-N 3.27Å; Y662-S665 VanDerWaalsContact O-N 3.09Å; Y662-S665 PolarHBondContact O-OG 3.09Å; K663-S665 PolarHBondContact O-N 2.89Å; S665-R668 WeakPolarHBondContact O-CB 3.36Å; S665-R668 PolarHBondContact O-N 3.36Å; S665-L669 PolarHBondContact O-N 3.19Å |
| 666 | L | 87 | Confident | 84.5 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67 | -39.8 | 178.9 | -179.4 | 59.4 | 0 | 0 | 0 | 111.7 | Y489 T490 K493 Y662 K663 R668 L669 M670 | Y489-L666 HydrophobicContact CD1-CD2 3.92Å; Y489-L666 HydrophobicContact CE1-CD2 3.39Å; T490-L666 HydrophobicContact CG2-CD1 3.58Å; T490-L666 HydrophobicContact CG2-CD2 4.11Å; T490-L666 HydrophobicContact CG2-CG 4.5Å; T490-L666 WeakPolarHBondContact OG1-CD2 3.34Å; K493-L666 HydrophobicContact CD-CD2 3.59Å; K493-L666 HydrophobicContact CD-CG 4.26Å; Y662-L666 PolarHBondContact O-N 2.84Å; K663-L666 PolarHBondContact O-N 3.35Å; L666-R668 VanDerWaalsContact C-N 3.27Å; L666-R668 PolarHBondContact O-N 3.43Å; L666-L669 HydrophobicContact CD1-CD2 4.3Å; L666-L669 PolarHBondContact O-N 2.92Å; L666-M670 HydrophobicContact CD1-CG 3.89Å; L666-M670 HydrophobicContact CD1-SD 3.97Å; L666-M670 HydrophobicContact CG-CG 4.06Å; L666-M670 WeakPolarHBondContact O-CB 2.94Å; L666-M670 VanDerWaalsContact O-CG 3.26Å; L666-M670 WeakPolarHBondContact O-CG 3.31Å; L666-M670 PolarHBondContact O-N 3.36Å |
| 667 | I | 87.3 | Confident | 85.7 | Confident | 70 Ų | 70 | 46.6 Ų | 46.6 | 36% | 0.359 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.7 | -39.4 | 175.6 | -72.4 | 167.3 | 0 | 0 | 0 | 110.8 | K663 T671 | K663-I667 HydrophobicContact CG-CD1 3.81Å; K663-I667 WeakPolarHBondContact O-CB 2.87Å; K663-I667 VanDerWaalsContact O-CG1 3.27Å; K663-I667 WeakPolarHBondContact O-CG1 3.39Å; K663-I667 PolarHBondContact O-N 2.98Å; I667-T671 WeakPolarHBondContact O-CB 2.99Å; I667-T671 PolarHBondContact O-N 2.8Å; I667-T671 PolarHBondContact O-OG1 2.88Å |
| 668 | R | 85.6 | Confident | 86.3 | Confident | 146 Ų | 146 | 47.8 Ų | 47.8 | 55% | 0.551 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62 | -50.1 | 172.1 | -70.7 | -172.5 | -63.7 | -85 | 5.1 | 111.8 | D664 S665 L666 M670 T671 V672 | D664-R668 PolarHBondContact O-N 3.48Å; D664-R668 PolarHBondContact O-NH1 3.18Å; S665-R668 WeakPolarHBondContact O-CB 3.36Å; S665-R668 PolarHBondContact O-N 3.36Å; L666-R668 VanDerWaalsContact C-N 3.27Å; L666-R668 PolarHBondContact O-N 3.43Å; R668-M670 PolarHBondContact O-N 2.75Å; R668-T671 WeakPolarHBondContact O-CB 2.85Å; R668-T671 PolarHBondContact O-N 2.89Å; R668-T671 VanDerWaalsContact O-N 3.09Å; R668-V672 PolarHBondContact O-N 3.14Å |
| 669 | L | 87.6 | Confident | 86.9 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.2 | -47.8 | 177.5 | 179.4 | 60.3 | 0 | 0 | 0 | 112.2 | F256 Y275 L469 S665 L666 T671 V672 L673 | F256-L669 HydrophobicContact CB-CD1 3.98Å; F256-L669 HydrophobicContact CD1-CD1 4.17Å; F256-L669 HydrophobicContact CD2-CD1 4.04Å; F256-L669 HydrophobicContact CG-CD1 3.81Å; Y275-L669 HydrophobicContact CD1-CD2 4.43Å; Y275-L669 HydrophobicContact CD2-CD2 4.27Å; Y275-L669 HydrophobicContact CE1-CB 3.85Å; Y275-L669 HydrophobicContact CE1-CD2 4.32Å; Y275-L669 HydrophobicContact CE2-CD1 4.19Å; Y275-L669 HydrophobicContact CE2-CD2 4.16Å; Y275-L669 HydrophobicContact CG-CD2 4.43Å; L469-L669 HydrophobicContact CD1-CD1 4.39Å; L469-L669 HydrophobicContact CD1-CD2 4.03Å; S665-L669 PolarHBondContact O-N 3.19Å; L666-L669 HydrophobicContact CD1-CD2 4.3Å; L666-L669 PolarHBondContact O-N 2.92Å; L669-T671 PolarHBondContact O-N 3.13Å; L669-V672 PolarHBondContact O-N 3.39Å; L669-L673 HydrophobicContact CD1-CD1 4.13Å; L669-L673 HydrophobicContact CD1-CG 4.24Å; L669-L673 HydrophobicContact CG-CD1 3.95Å; L669-L673 HydrophobicContact CG-CG 4.49Å; L669-L673 VanDerWaalsContact O-CG 3.3Å; L669-L673 WeakPolarHBondContact O-CG 2.97Å; L669-L673 PolarHBondContact O-N 3.44Å |
| 670 | M | 89.9 | Confident | 87.3 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.3 | -29.1 | 177.8 | -62.2 | -50.7 | -68.7 | 0 | 0 | 112.5 | K493 L494 L497 L666 R668 L673 K674 | K493-M670 HydrophobicContact CB-CE 4.38Å; K493-M670 WeakPolarHBondContact O-CE 3.34Å; L494-M670 HydrophobicContact CD2-CE 4.26Å; L494-M670 HydrophobicContact CD2-SD 3.87Å; L497-M670 HydrophobicContact CB-CE 3.66Å; L497-M670 HydrophobicContact CD2-CE 3.83Å; L497-M670 HydrophobicContact CG-CE 4.21Å; L666-M670 HydrophobicContact CD1-CG 3.89Å; L666-M670 HydrophobicContact CD1-SD 3.97Å; L666-M670 HydrophobicContact CG-CG 4.06Å; L666-M670 WeakPolarHBondContact O-CB 2.94Å; L666-M670 VanDerWaalsContact O-CG 3.26Å; L666-M670 WeakPolarHBondContact O-CG 3.31Å; L666-M670 PolarHBondContact O-N 3.36Å; R668-M670 PolarHBondContact O-N 2.75Å; M670-L673 HydrophobicContact SD-CD1 4.23Å; M670-K674 WeakPolarHBondContact O-CB 2.9Å; M670-K674 VanDerWaalsContact O-CG 3.26Å; M670-K674 WeakPolarHBondContact O-CG 3.28Å; M670-K674 PolarHBondContact O-N 3.43Å; M670-K674 VanDerWaalsContact O-N 3.09Å |
| 671 | T | 90.1 | Very high | 87.8 | Confident | 71 Ų | 71 | 47.2 Ų | 47.2 | 44% | 0.436 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -71.9 | -44 | 174.4 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | I667 R668 L669 K674 N675 | I667-T671 WeakPolarHBondContact O-CB 2.99Å; I667-T671 PolarHBondContact O-N 2.8Å; I667-T671 PolarHBondContact O-OG1 2.88Å; R668-T671 WeakPolarHBondContact O-CB 2.85Å; R668-T671 PolarHBondContact O-N 2.89Å; R668-T671 VanDerWaalsContact O-N 3.09Å; L669-T671 PolarHBondContact O-N 3.13Å; T671-K674 PolarHBondContact O-N 3.3Å; T671-N675 VanDerWaalsContact O-CG 3.31Å; T671-N675 PolarHBondContact O-N 3.16Å; T671-N675 PolarHBondContact O-OD1 2.83Å |
| 672 | V | 88.7 | Confident | 88.5 | Confident | 44 Ų | 44 | 43.1 Ų | 43.1 | 27% | 0.267 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60 | -48.4 | 174.2 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | F256 F465 R668 L669 K674 N675 T676 | F256-V672 HydrophobicContact CE1-CG1 3.82Å; F256-V672 HydrophobicContact CZ-CG1 3.9Å; F465-V672 HydrophobicContact CE2-CG1 4.5Å; F465-V672 HydrophobicContact CZ-CG1 4.09Å; R668-V672 PolarHBondContact O-N 3.14Å; L669-V672 PolarHBondContact O-N 3.39Å; V672-K674 PolarHBondContact O-N 2.85Å; V672-N675 PolarHBondContact O-N 3.32Å; V672-N675 VanDerWaalsContact O-N 3.11Å; V672-T676 PolarHBondContact O-N 3.05Å |
| 673 | L | 91.2 | Very high | 89 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -40.4 | 179.9 | -67.5 | 168.6 | 0 | 0 | 0 | 112.5 | L174 F256 L469 L494 L497 L669 M670 N675 T676 | L174-L673 HydrophobicContact CD1-CD2 4.38Å; L174-L673 HydrophobicContact CD2-CD1 4.31Å; L174-L673 HydrophobicContact CD2-CD2 4.25Å; L174-L673 HydrophobicContact CG-CD2 4.34Å; F256-L673 HydrophobicContact CE2-CD2 3.88Å; F256-L673 HydrophobicContact CZ-CD2 4.48Å; L469-L673 HydrophobicContact CD2-CD1 4.01Å; L494-L673 HydrophobicContact CD2-CD1 3.96Å; L497-L673 HydrophobicContact CD2-CB 3.95Å; L497-L673 HydrophobicContact CD2-CD1 4.18Å; L669-L673 HydrophobicContact CD1-CD1 4.13Å; L669-L673 HydrophobicContact CD1-CG 4.24Å; L669-L673 HydrophobicContact CG-CD1 3.95Å; L669-L673 HydrophobicContact CG-CG 4.49Å; L669-L673 VanDerWaalsContact O-CG 3.3Å; L669-L673 WeakPolarHBondContact O-CG 2.97Å; L669-L673 PolarHBondContact O-N 3.44Å; M670-L673 HydrophobicContact SD-CD1 4.23Å; L673-N675 PolarHBondContact O-N 3.38Å; L673-T676 PolarHBondContact O-N 2.88Å; L673-T676 PolarHBondContact O-OG1 2.8Å |
| 674 | K | 89.6 | Confident | 89.3 | Confident | 133 Ų | 133 | 39.7 Ų | 39.7 | 58% | 0.578 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -65.4 | -24.2 | 175.9 | -80.4 | -178.8 | 174.9 | -163.9 | 0 | 114.1 | L497 M670 T671 V672 T676 | L497-K674 HydrophobicContact CD1-CG 3.95Å; M670-K674 WeakPolarHBondContact O-CB 2.9Å; M670-K674 VanDerWaalsContact O-CG 3.26Å; M670-K674 WeakPolarHBondContact O-CG 3.28Å; M670-K674 PolarHBondContact O-N 3.43Å; M670-K674 VanDerWaalsContact O-N 3.09Å; T671-K674 PolarHBondContact O-N 3.3Å; V672-K674 PolarHBondContact O-N 2.85Å; K674-T676 VanDerWaalsContact C-N 3.31Å |
| 675 | N | 90.1 | Very high | 89.7 | Confident | 126 Ų | 126 | 37.4 Ų | 37.4 | 67% | 0.674 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 8.6 | 177.3 | -65.9 | -0.6 | 0 | 0 | 0 | 112.8 | T671 V672 L673 | T671-N675 VanDerWaalsContact O-CG 3.31Å; T671-N675 PolarHBondContact O-N 3.16Å; T671-N675 PolarHBondContact O-OD1 2.83Å; V672-N675 PolarHBondContact O-N 3.32Å; V672-N675 VanDerWaalsContact O-N 3.11Å; L673-N675 PolarHBondContact O-N 3.38Å |
| 676 | T | 91.5 | Very high | 90.3 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 8% | 0.08 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -123.1 | 155.6 | 175.5 | 62 | 0 | 0 | 0 | 0 | 110.9 | D170 S172 F465 V672 L673 K674 P678 | D170-T676 HydrophobicContact CB-CG2 3.88Å; D170-T676 CarbonylContact O-C 3.52Å; D170-T676 VanDerWaalsContact O-CA 3.25Å; D170-T676 WeakPolarHBondContact O-CA 3.34Å; D170-T676 WeakPolarHBondContact O-CB 3.14Å; S172-T676 VanDerWaalsContact CB-OG1 3.3Å; S172-T676 WeakPolarHBondContact CB-OG1 3.42Å; S172-T676 PolarHBondContact OG-OG1 3.48Å; F465-T676 HydrophobicContact CE1-CG2 4.48Å; F465-T676 HydrophobicContact CE2-CG2 3.96Å; F465-T676 HydrophobicContact CZ-CG2 3.62Å; V672-T676 PolarHBondContact O-N 3.05Å; L673-T676 PolarHBondContact O-N 2.88Å; L673-T676 PolarHBondContact O-OG1 2.8Å; K674-T676 VanDerWaalsContact C-N 3.31Å; T676-P678 VanDerWaalsContact O-CD 3.29Å; T676-P678 WeakPolarHBondContact O-CD 3.47Å |
| 677 | S | 89.3 | Confident | 90.4 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 34% | 0.336 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 114.9 | 167.8 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | D170 Q171 S172 N679 | D170-S677 PolarHBondContact O-N 3.04Å; Q171-S677 VanDerWaalsContact OE1-CB 3.3Å; Q171-S677 PolarHBondContact OE1-OG 2.98Å; S172-S677 PolarHBondContact N-O 3.47Å; S677-N679 PolarHBondContact O-ND2 2.9Å |
| 678 | P | 91.3 | Very high | 90.3 | Very high | 30 Ų | 30 | 38.1 Ų | 38.1 | 20% | 0.195 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.8 | -168.6 | 35.5 | -31.3 | 0 | 0 | 0 | 113.4 | S172 L174 T501 T676 F680 | S172-P678 WeakPolarHBondContact OG-CA 3.32Å; L174-P678 HydrophobicContact CD1-CB 3.77Å; T501-P678 HydrophobicContact CG2-CG 3.87Å; T676-P678 VanDerWaalsContact O-CD 3.29Å; T676-P678 WeakPolarHBondContact O-CD 3.47Å; P678-F680 HydrophobicContact CB-CE2 3.96Å; P678-F680 HydrophobicContact CB-CZ 3.98Å; P678-F680 HydrophobicContact CG-CE2 3.89Å; P678-F680 HydrophobicContact CG-CZ 4.13Å |
| 679 | N | 92.4 | Very high | 90.3 | Very high | 43 Ų | 43 | 35.6 Ų | 35.6 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 110.6 | 178.6 | -65.2 | -99.5 | 0 | 0 | 0 | 109.8 | I156 S172 I173 L174 S677 | I156-N679 HydrophobicContact CG2-CB 4.28Å; S172-N679 VanDerWaalsContact O-CB 3.3Å; S172-N679 WeakPolarHBondContact O-CB 3.44Å; S172-N679 PolarHBondContact O-N 2.7Å; S172-N679 PolarHBondContact O-ND2 3.4Å; S172-N679 VanDerWaalsContact O-ND2 3.11Å; I173-N679 WeakPolarHBondContact CA-O 3.14Å; I173-N679 HydrophobicContact CG1-CB 4.13Å; L174-N679 PolarHBondContact N-O 2.76Å; S677-N679 PolarHBondContact O-ND2 2.9Å |
| 680 | F | 91.9 | Very high | 90 | Very high | 10 Ų | 10 | 38.1 Ų | 38.1 | 4% | 0.044 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 133.3 | -172.6 | -63.7 | -84.5 | 0 | 0 | 0 | 113.8 | F120 C121 L174 F498 P678 | F120-F680 HydrophobicContact CB-CB 3.91Å; F120-F680 WeakPolarHBondContact CB-O 3.13Å; C121-F680 PolarHBondContact N-O 2.91Å; L174-F680 HydrophobicContact CB-CD1 4.11Å; L174-F680 HydrophobicContact CB-CE1 4.45Å; L174-F680 HydrophobicContact CD2-CD1 4.46Å; L174-F680 HydrophobicContact CD2-CE1 3.97Å; F498-F680 HydrophobicContact CB-CD1 4.27Å; F498-F680 HydrophobicContact CB-CE1 3.78Å; F498-F680 HydrophobicContact CB-CZ 4.02Å; F498-F680 HydrophobicContact CD2-CB 4.15Å; F498-F680 AromaticContact CD2-CD1 3.73Å; F498-F680 HydrophobicContact CD2-CD1 3.73Å; F498-F680 AromaticContact CD2-CD2 3.81Å; F498-F680 HydrophobicContact CD2-CD2 3.81Å; F498-F680 AromaticContact CD2-CE1 3.99Å; F498-F680 HydrophobicContact CD2-CE1 3.99Å; F498-F680 HydrophobicContact CD2-CE2 4.07Å; F498-F680 AromaticContact CD2-CG 3.63Å; F498-F680 HydrophobicContact CD2-CG 3.63Å; F498-F680 HydrophobicContact CD2-CZ 4.15Å; F498-F680 HydrophobicContact CE2-CB 4.29Å; F498-F680 HydrophobicContact CE2-CD2 4.37Å; F498-F680 HydrophobicContact CE2-CG 4.21Å; F498-F680 HydrophobicContact CG-CD1 4.49Å; F498-F680 HydrophobicContact CG-CE1 4.4Å; P678-F680 HydrophobicContact CB-CE2 3.96Å; P678-F680 HydrophobicContact CB-CZ 3.98Å; P678-F680 HydrophobicContact CG-CE2 3.89Å; P678-F680 HydrophobicContact CG-CZ 4.13Å |
| 681 | V | 92.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 115.8 | 171.8 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | V123 I153 I156 I173 L174 T176 | V123-V681 HydrophobicContact CG2-CG1 3.55Å; I153-V681 HydrophobicContact CD1-CG1 4.36Å; I153-V681 HydrophobicContact CD1-CG2 4.07Å; I156-V681 HydrophobicContact CD1-CG2 3.93Å; I156-V681 HydrophobicContact CG2-CG2 4.5Å; I173-V681 HydrophobicContact CG2-CG2 4.19Å; L174-V681 PolarHBondContact O-N 3.05Å; T176-V681 PolarHBondContact N-O 3.32Å; T176-V681 PolarHBondContact OG1-O 2.86Å; T176-V681 VanDerWaalsContact OG1-O 3.09Å |
| 682 | R | 92.1 | Very high | 89.6 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 2% | 0.019 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 100.2 | -175.8 | -72 | -71.8 | 179.8 | 179.3 | 3.9 | 110.4 | F120 C121 V122 V123 T176 F498 N707 | F120-R682 HydrophobicContact CD2-CG 3.99Å; F120-R682 HydrophobicContact CE2-CG 4.3Å; C121-R682 PolarHBondContact O-N 3.37Å; V122-R682 CarbonylContact C-O 3.54Å; V122-R682 WeakPolarHBondContact CA-O 3.46Å; V122-R682 HydrophobicContact CG2-CB 4.33Å; V123-R682 PolarHBondContact N-O 3.01Å; T176-R682 WeakPolarHBondContact OG1-CD 3.04Å; F498-R682 VanDerWaalsContact CB-NH2 3.27Å; R682-N707 PolarHBondContact NH1-OD1 2.77Å |
| 683 | C | 92.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 121 | -178 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | V123 T176 S181 K183 | V123-C683 CarbonylContact O-C 3.6Å; V123-C683 WeakPolarHBondContact O-CA 3.13Å; T176-C683 WeakPolarHBondContact O-CB 3.47Å; T176-C683 PolarHBondContact O-N 2.99Å; S181-C683 VanDerWaalsContact CB-C 3.49Å; S181-C683 WeakPolarHBondContact CB-O 3.2Å; S181-C683 WeakPolarHBondContact O-CB 3.37Å; S181-C683 WeakPolarHBondContact OG-CB 3.15Å; S181-C683 PolarHBondContact OG-O 2.67Å; K183-C683 HydrophobicContact CG-CB 4.04Å |
| 684 | I | 91.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.7 | -174.3 | -57.6 | -63.5 | 0 | 0 | 0 | 110.3 | V122 V123 V124 N125 V700 Q703 | V122-I684 HydrophobicContact CG1-CG1 3.77Å; V123-I684 PolarHBondContact O-N 2.57Å; V124-I684 HydrophobicContact CG2-CB 4.39Å; N125-I684 PolarHBondContact N-O 2.88Å; N125-I684 VanDerWaalsContact N-O 3.12Å; I684-V700 HydrophobicContact CG2-CG1 4.15Å; I684-V700 HydrophobicContact CG2-CG2 4.05Å; I684-Q703 HydrophobicContact CD1-CB 3.99Å |
| 685 | I | 90.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | trans | -83.4 | 127.5 | 171.4 | -163.3 | 172.5 | 0 | 0 | 0 | 109.4 | Y127 L699 Q703 | Y127-I685 WeakPolarHBondContact OH-CD1 3.39Å; Y127-I685 VanDerWaalsContact OH-CG1 3.29Å; Y127-I685 WeakPolarHBondContact OH-CG1 3.45Å; I685-L699 HydrophobicContact CG2-CD2 4.3Å; I685-Q703 PolarHBondContact O-NE2 2.66Å | ||
| 686 | P | 91.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -82.5 | -27.4 | -175.9 | 34.1 | -39.8 | 0 | 0 | 0 | 113.3 | Y108 V124 N125 Y127 I695 D696 | Y108-P686 HydrophobicContact CE2-CB 4.21Å; Y108-P686 HydrophobicContact CE2-CG 4.48Å; V124-P686 HydrophobicContact CG1-CB 3.84Å; N125-P686 VanDerWaalsContact O-CG 3.29Å; N125-P686 WeakPolarHBondContact O-CG 3.46Å; Y127-P686 HydrophobicContact CD2-CG 3.94Å; Y127-P686 HydrophobicContact CE2-CG 3.65Å; P686-I695 HydrophobicContact CB-CB 4.37Å; P686-I695 HydrophobicContact CB-CG1 4.14Å; P686-I695 CarbonylContact O-C 3.49Å; P686-I695 WeakPolarHBondContact O-CA 3.21Å; P686-D696 WeakPolarHBondContact O-CB 3.18Å; P686-D696 PolarHBondContact O-N 3.5Å |
| 687 | N | 89.8 | Confident | 89.6 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | trans | -164.2 | 149.2 | 178.5 | 64.7 | 88.8 | 0 | 0 | 0 | 109.8 | E689 K690 K691 R694 D696 | N687-E689 VanDerWaalsContact C-N 3.31Å; N687-E689 WeakPolarHBondContact OD1-CA 3.2Å; N687-E689 PolarHBondContact OD1-N 3.01Å; N687-K690 PolarHBondContact OD1-N 3.25Å; N687-K690 VanDerWaalsContact OD1-N 3.09Å; N687-K691 PolarHBondContact ND2-O 2.59Å; N687-K691 PolarHBondContact OD1-N 3.46Å; N687-R694 PolarHBondContact ND2-O 2.87Å; N687-D696 HydrophobicContact CB-CB 4.45Å | ||
| 688 | H | 84.8 | Confident | 89.6 | Confident | 104 Ų | 104 | 38.4 Ų | 38.4 | 48% | 0.481 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -12.6 | 175.1 | -63.7 | -40.9 | 0 | 0 | 0 | 113.9 | K690 L699 | H688-K690 PolarHBondContact O-N 3.36Å; H688-L699 WeakPolarHBondContact NE2-CD1 3.13Å |
| 689 | E | 85.1 | Confident | 89.5 | Confident | 94 Ų | 94 | 37.6 Ų | 37.6 | 44% | 0.439 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 0.2 | 177.5 | -70.2 | -178.9 | -158.5 | 0 | 0 | 113.8 | N687 K691 R694 | N687-E689 VanDerWaalsContact C-N 3.31Å; N687-E689 WeakPolarHBondContact OD1-CA 3.2Å; N687-E689 PolarHBondContact OD1-N 3.01Å; E689-K691 HydrophobicContact CB-CD 4.12Å; E689-K691 HydrophobicContact CB-CG 4.19Å; E689-K691 PolarHBondContact O-N 3.27Å; E689-K691 VanDerWaalsContact O-N 3.13Å; E689-K691 WeakPolarHBondContact OE2-CD 3.34Å; E689-K691 VanDerWaalsContact OE2-CE 3.31Å; E689-K691 WeakPolarHBondContact OE2-CE 3.44Å; E689-K691 IonicContact OE2-NZ 2.73Å; E689-K691 PolarHBondContact OE2-NZ 2.79Å; E689-R694 IonicContact OE1-CZ 2.67Å; E689-R694 IonicContact OE1-NH1 3.9Å; E689-R694 PolarHBondContact OE1-NH1 3.46Å; E689-R694 IonicContact OE1-NH2 2.84Å; E689-R694 IonicContact OE2-NH1 3.79Å; E689-R694 PolarHBondContact OE2-NH1 2.88Å |
| 690 | K | 81.9 | Confident | 89.4 | Confident | 55 Ų | 55 | 35.6 Ų | 35.6 | 24% | 0.239 | 19% | 0.187 | C | C | . | . | trans | 57.8 | 20.7 | -177.9 | -54.6 | 172.9 | -178.7 | 166.7 | 0 | 114 | Y127 I245 K246 D248 N687 H688 | Y127-K690 HydrophobicContact CE1-CB 4.36Å; I245-K690 WeakPolarHBondContact O-CE 3.3Å; I245-K690 PolarHBondContact O-NZ 2.86Å; K246-K690 WeakPolarHBondContact O-CE 3.17Å; D248-K690 IonicContact OD1-NZ 3.58Å; D248-K690 PolarHBondContact OD1-NZ 3.21Å; D248-K690 VanDerWaalsContact OD2-CD 3.25Å; D248-K690 WeakPolarHBondContact OD2-CD 3.42Å; D248-K690 IonicContact OD2-NZ 3.02Å; D248-K690 PolarHBondContact OD2-NZ 2.84Å; N687-K690 PolarHBondContact OD1-N 3.25Å; N687-K690 VanDerWaalsContact OD1-N 3.09Å; H688-K690 PolarHBondContact O-N 3.36Å | ||
| 691 | K | 85.1 | Confident | 89.3 | Confident | 112 Ų | 112 | 35.7 Ų | 35.7 | 49% | 0.487 | 19% | 0.188 | S | C | . | . | trans | -89.6 | 128.8 | -174.8 | -74.1 | 174.5 | -170.5 | 163 | 0 | 111.9 | N687 E689 | N687-K691 PolarHBondContact ND2-O 2.59Å; N687-K691 PolarHBondContact OD1-N 3.46Å; E689-K691 HydrophobicContact CB-CD 4.12Å; E689-K691 HydrophobicContact CB-CG 4.19Å; E689-K691 PolarHBondContact O-N 3.27Å; E689-K691 VanDerWaalsContact O-N 3.13Å; E689-K691 WeakPolarHBondContact OE2-CD 3.34Å; E689-K691 VanDerWaalsContact OE2-CE 3.31Å; E689-K691 WeakPolarHBondContact OE2-CE 3.44Å; E689-K691 IonicContact OE2-NZ 2.73Å; E689-K691 PolarHBondContact OE2-NZ 2.79Å | ||
| 692 | P | 87.6 | Confident | 89 | Confident | 76 Ų | 76 | 41.2 Ų | 41.2 | 49% | 0.494 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 150 | 172 | 29.5 | -35.1 | 0 | 0 | 0 | 111 | P126 K128 R694 | P126-P692 WeakPolarHBondContact O-CA 3.46Å; P126-P692 VanDerWaalsContact O-CB 3.3Å; P126-P692 WeakPolarHBondContact O-CB 2.91Å; K128-P692 HydrophobicContact CB-CB 4.37Å; P692-R694 PolarHBondContact O-N 3.44Å; P692-R694 VanDerWaalsContact O-N 3.13Å |
| 693 | G | 85.7 | Confident | 88.8 | Confident | 50 Ų | 50 | 41.2 Ų | 41.2 | 52% | 0.515 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | -2.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116 | Y108 Y109 | Y108-G693 PolarHBondContact OH-N 2.9Å; Y109-G693 WeakPolarHBondContact CE1-O 3.44Å |
| 694 | R | 90.5 | Very high | 88.6 | Confident | 103 Ų | 103 | 41.2 Ų | 41.2 | 39% | 0.389 | 21% | 0.214 | S | C | . | . | trans | -99.6 | 142.5 | 164.9 | -179.3 | 173.6 | 170.9 | -169.6 | -8.6 | 110.1 | Y108 N687 E689 P692 | Y108-R694 WeakPolarHBondContact CE1-O 3.38Å; Y108-R694 PolarHBondContact OH-O 3.09Å; N687-R694 PolarHBondContact ND2-O 2.87Å; E689-R694 IonicContact OE1-CZ 2.67Å; E689-R694 IonicContact OE1-NH1 3.9Å; E689-R694 PolarHBondContact OE1-NH1 3.46Å; E689-R694 IonicContact OE1-NH2 2.84Å; E689-R694 IonicContact OE2-NH1 3.79Å; E689-R694 PolarHBondContact OE2-NH1 2.88Å; P692-R694 PolarHBondContact O-N 3.44Å; P692-R694 VanDerWaalsContact O-N 3.13Å | ||
| 695 | I | 91.4 | Very high | 88.3 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 8% | 0.082 | 24% | 0.236 | C | C | . | . | trans | -134.2 | 140.4 | 170 | -169.4 | 170.4 | 0 | 0 | 0 | 108.6 | K105 Y108 Y109 V124 P686 V700 | K105-I695 HydrophobicContact CG-CG2 4.05Å; Y108-I695 HydrophobicContact CD1-CB 3.89Å; Y108-I695 HydrophobicContact CD1-CD1 4.21Å; Y108-I695 HydrophobicContact CD1-CG2 4.12Å; Y108-I695 HydrophobicContact CE1-CB 3.77Å; Y108-I695 HydrophobicContact CE1-CG2 4.32Å; Y108-I695 HydrophobicContact CG-CD1 4.3Å; Y109-I695 HydrophobicContact CE2-CG2 4.03Å; V124-I695 HydrophobicContact CG1-CD1 4.39Å; P686-I695 HydrophobicContact CB-CB 4.37Å; P686-I695 HydrophobicContact CB-CG1 4.14Å; P686-I695 CarbonylContact O-C 3.49Å; P686-I695 WeakPolarHBondContact O-CA 3.21Å; I695-V700 HydrophobicContact CD1-CG2 4.13Å; I695-V700 HydrophobicContact CG1-CG2 3.82Å | ||
| 696 | D | 91.7 | Very high | 87.8 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 26% | 0.262 | 25% | 0.248 | S | C | . | . | trans | -111.6 | 116.3 | -174.7 | -166.2 | 6.3 | 0 | 0 | 0 | 110 | P686 N687 L699 V700 | P686-D696 WeakPolarHBondContact O-CB 3.18Å; P686-D696 PolarHBondContact O-N 3.5Å; N687-D696 HydrophobicContact CB-CB 4.45Å; D696-L699 HydrophobicContact CB-CB 4.17Å; D696-V700 WeakPolarHBondContact O-CG2 3.47Å; D696-V700 PolarHBondContact O-N 3.03Å; D696-V700 VanDerWaalsContact O-N 3.12Å | ||
| 697 | G | 90 | Very high | 87.4 | Confident | 7 Ų | 7 | 49 Ų | 49 | 7% | 0.072 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.6 | -54.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L699 V700 L701 | G697-L699 PolarHBondContact O-N 3.04Å; G697-V700 PolarHBondContact O-N 3.35Å; G697-L701 WeakPolarHBondContact O-CB 3.35Å; G697-L701 PolarHBondContact O-N 2.88Å |
| 698 | P | 90.6 | Very high | 86.9 | Confident | 49 Ų | 49 | 49 Ų | 49 | 32% | 0.318 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 179.1 | -27.1 | 36.6 | 0 | 0 | 0 | 113.4 | E40 A43 V700 L701 E702 | E40-P698 WeakPolarHBondContact O-CG 3.45Å; A43-P698 HydrophobicContact CB-CG 4.32Å; P698-V700 PolarHBondContact O-N 2.85Å; P698-L701 WeakPolarHBondContact O-CB 3.45Å; P698-L701 PolarHBondContact O-N 2.89Å; P698-E702 WeakPolarHBondContact O-CB 3.24Å; P698-E702 PolarHBondContact O-N 3.25Å |
| 699 | L | 89.2 | Confident | 86.8 | Confident | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.073 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | -179.8 | 174.1 | 60.4 | 0 | 0 | 0 | 112.8 | I685 H688 D696 G697 Q703 | I685-L699 HydrophobicContact CG2-CD2 4.3Å; H688-L699 WeakPolarHBondContact NE2-CD1 3.13Å; D696-L699 HydrophobicContact CB-CB 4.17Å; G697-L699 PolarHBondContact O-N 3.04Å; L699-Q703 WeakPolarHBondContact O-CG 3.33Å; L699-Q703 PolarHBondContact O-N 3.22Å; L699-Q703 PolarHBondContact O-NE2 2.7Å |
| 700 | V | 90.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.6 | -38 | 175.5 | 171.8 | 0 | 0 | 0 | 0 | 111 | L101 I684 I695 D696 G697 P698 Q703 L704 | L101-V700 HydrophobicContact CD1-CB 3.87Å; L101-V700 HydrophobicContact CD1-CG1 3.59Å; I684-V700 HydrophobicContact CG2-CG1 4.15Å; I684-V700 HydrophobicContact CG2-CG2 4.05Å; I695-V700 HydrophobicContact CD1-CG2 4.13Å; I695-V700 HydrophobicContact CG1-CG2 3.82Å; D696-V700 WeakPolarHBondContact O-CG2 3.47Å; D696-V700 PolarHBondContact O-N 3.03Å; D696-V700 VanDerWaalsContact O-N 3.12Å; G697-V700 PolarHBondContact O-N 3.35Å; P698-V700 PolarHBondContact O-N 2.85Å; V700-Q703 PolarHBondContact O-N 2.69Å; V700-L704 HydrophobicContact CG1-CD1 3.9Å; V700-L704 HydrophobicContact CG1-CG 4.39Å; V700-L704 WeakPolarHBondContact O-CD1 3.04Å; V700-L704 WeakPolarHBondContact O-CG 3.15Å; V700-L704 PolarHBondContact O-N 2.75Å |
| 701 | L | 89.6 | Confident | 86.7 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 7% | 0.068 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 175.8 | 178 | 61.6 | 0 | 0 | 0 | 112.5 | A43 F44 E97 G697 P698 L704 R705 | A43-L701 HydrophobicContact CB-CB 4.38Å; A43-L701 HydrophobicContact CB-CD2 3.91Å; F44-L701 HydrophobicContact CD2-CD2 4.38Å; F44-L701 HydrophobicContact CE2-CD1 4.34Å; F44-L701 HydrophobicContact CE2-CD2 3.69Å; F44-L701 HydrophobicContact CZ-CD2 4.49Å; E97-L701 HydrophobicContact CB-CD1 3.87Å; E97-L701 HydrophobicContact CG-CD1 4.35Å; G697-L701 WeakPolarHBondContact O-CB 3.35Å; G697-L701 PolarHBondContact O-N 2.88Å; P698-L701 WeakPolarHBondContact O-CB 3.45Å; P698-L701 PolarHBondContact O-N 2.89Å; L701-L704 PolarHBondContact O-N 3.5Å; L701-R705 WeakPolarHBondContact O-CG 3.4Å; L701-R705 PolarHBondContact O-N 2.63Å; L701-R705 VanDerWaalsContact O-N 3.07Å |
| 702 | E | 85.6 | Confident | 86.5 | Confident | 116 Ų | 116 | 33.5 Ų | 33.5 | 54% | 0.542 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 177 | -176.5 | 165.9 | -148.4 | 0 | 0 | 111.6 | P698 L704 R705 C706 | P698-E702 WeakPolarHBondContact O-CB 3.24Å; P698-E702 PolarHBondContact O-N 3.25Å; E702-L704 PolarHBondContact O-N 2.7Å; E702-R705 PolarHBondContact O-N 3.24Å; E702-C706 PolarHBondContact O-N 2.72Å; E702-C706 PolarHBondContact O-SG 3.15Å |
| 703 | Q | 88.9 | Confident | 86.3 | Confident | 5 Ų | 5 | 29.9 Ų | 29.9 | 2% | 0.023 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.4 | -42.5 | 173.3 | -75.3 | 169.7 | 85.1 | 0 | 0 | 112.8 | E178 I684 I685 L699 V700 R705 C706 N707 | E178-Q703 VanDerWaalsContact OE1-CG 3.25Å; E178-Q703 WeakPolarHBondContact OE1-CG 2.98Å; I684-Q703 HydrophobicContact CD1-CB 3.99Å; I685-Q703 PolarHBondContact O-NE2 2.66Å; L699-Q703 WeakPolarHBondContact O-CG 3.33Å; L699-Q703 PolarHBondContact O-N 3.22Å; L699-Q703 PolarHBondContact O-NE2 2.7Å; V700-Q703 PolarHBondContact O-N 2.69Å; Q703-R705 VanDerWaalsContact C-N 3.31Å; Q703-R705 PolarHBondContact O-N 2.71Å; Q703-C706 PolarHBondContact O-N 3.38Å; Q703-N707 VanDerWaalsContact O-CB 3.32Å; Q703-N707 WeakPolarHBondContact O-CB 3.23Å; Q703-N707 PolarHBondContact O-N 3.01Å; Q703-N707 PolarHBondContact O-ND2 3.36Å |
| 704 | L | 88.6 | Confident | 86 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.5 | -36.7 | -179.7 | -73.3 | 165.6 | 0 | 0 | 0 | 112.3 | V100 L104 V700 L701 E702 V709 | V100-L704 HydrophobicContact CG1-CD1 4.1Å; V100-L704 HydrophobicContact CG1-CD2 4.38Å; L104-L704 HydrophobicContact CD1-CD1 3.96Å; L104-L704 HydrophobicContact CD1-CD2 3.89Å; L104-L704 HydrophobicContact CD1-CG 4.49Å; V700-L704 HydrophobicContact CG1-CD1 3.9Å; V700-L704 HydrophobicContact CG1-CG 4.39Å; V700-L704 WeakPolarHBondContact O-CD1 3.04Å; V700-L704 WeakPolarHBondContact O-CG 3.15Å; V700-L704 PolarHBondContact O-N 2.75Å; L701-L704 PolarHBondContact O-N 3.5Å; E702-L704 PolarHBondContact O-N 2.7Å; L704-V709 HydrophobicContact CD2-CB 3.92Å; L704-V709 HydrophobicContact CD2-CG1 3.69Å; L704-V709 HydrophobicContact CD2-CG2 4.17Å; L704-V709 WeakPolarHBondContact O-CB 3.2Å; L704-V709 PolarHBondContact O-N 2.81Å |
| 705 | R | 84.1 | Confident | 85.5 | Confident | 119 Ų | 119 | 25.4 Ų | 25.4 | 45% | 0.449 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -67.7 | -57.1 | 172.9 | -69.9 | 170.1 | 173.8 | 174.7 | -2.1 | 111.3 | E97 L701 E702 Q703 N707 G708 L710 | E97-R705 VanDerWaalsContact CD-NH2 3.28Å; E97-R705 IonicContact OE1-CZ 2.7Å; E97-R705 VanDerWaalsContact OE1-CZ 3.28Å; E97-R705 IonicContact OE1-NE 2.68Å; E97-R705 PolarHBondContact OE1-NE 2.75Å; E97-R705 IonicContact OE1-NH2 2.76Å; E97-R705 PolarHBondContact OE1-NH2 3.25Å; E97-R705 IonicContact OE2-CZ 3.99Å; E97-R705 IonicContact OE2-NE 2.77Å; E97-R705 IonicContact OE2-NH2 3.75Å; E97-R705 PolarHBondContact OE2-NH2 3.21Å; L701-R705 WeakPolarHBondContact O-CG 3.4Å; L701-R705 PolarHBondContact O-N 2.63Å; L701-R705 VanDerWaalsContact O-N 3.07Å; E702-R705 PolarHBondContact O-N 3.24Å; Q703-R705 VanDerWaalsContact C-N 3.31Å; Q703-R705 PolarHBondContact O-N 2.71Å; R705-N707 VanDerWaalsContact C-N 3.3Å; R705-N707 PolarHBondContact O-N 2.84Å; R705-G708 PolarHBondContact O-N 3.47Å; R705-L710 HydrophobicContact CG-CD1 4.08Å |
| 706 | C | 80.8 | Confident | 84.8 | Confident | 38 Ų | 38 | 24.9 Ų | 24.9 | 26% | 0.257 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -62.4 | -35.4 | -174.3 | -60 | 0 | 0 | 0 | 0 | 112.8 | Y587 E702 Q703 G708 | Y587-C706 HydrophobicContact CD2-CB 4.14Å; Y587-C706 VanDerWaalsContact CD2-O 3.28Å; Y587-C706 WeakPolarHBondContact CD2-O 3.46Å; Y587-C706 HydrophobicContact CE2-CB 4.45Å; Y587-C706 WeakPolarHBondContact O-CB 3.38Å; Y587-C706 PolarHBondContact O-SG 3.29Å; E702-C706 PolarHBondContact O-N 2.72Å; E702-C706 PolarHBondContact O-SG 3.15Å; Q703-C706 PolarHBondContact O-N 3.38Å; C706-G708 PolarHBondContact O-N 2.82Å |
| 707 | N | 82.7 | Confident | 83.9 | Confident | 7 Ų | 7 | 23.8 Ų | 23.8 | 4% | 0.037 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -2.9 | 176.4 | -72.8 | -88 | 0 | 0 | 0 | 113.9 | Q495 F498 R682 Q703 R705 V709 | Q495-N707 PolarHBondContact NE2-O 2.65Å; F498-N707 WeakPolarHBondContact CE1-O 3.07Å; R682-N707 PolarHBondContact NH1-OD1 2.77Å; Q703-N707 VanDerWaalsContact O-CB 3.32Å; Q703-N707 WeakPolarHBondContact O-CB 3.23Å; Q703-N707 PolarHBondContact O-N 3.01Å; Q703-N707 PolarHBondContact O-ND2 3.36Å; R705-N707 VanDerWaalsContact C-N 3.3Å; R705-N707 PolarHBondContact O-N 2.84Å; N707-V709 HydrophobicContact CB-CG2 3.96Å |
| 708 | G | 79.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 27.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R705 C706 G712 | R705-G708 PolarHBondContact O-N 3.47Å; C706-G708 PolarHBondContact O-N 2.82Å; G708-G712 PolarHBondContact O-N 2.97Å |
| 709 | V | 84 | Confident | 82.6 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.9 | -37.2 | -172.8 | 172 | 0 | 0 | 0 | 0 | 111.8 | F120 V122 L704 N707 G712 I713 | F120-V709 HydrophobicContact CE2-CB 4.4Å; F120-V709 HydrophobicContact CE2-CG1 3.94Å; F120-V709 HydrophobicContact CE2-CG2 4.12Å; F120-V709 HydrophobicContact CZ-CB 4.38Å; F120-V709 HydrophobicContact CZ-CG1 4.01Å; F120-V709 HydrophobicContact CZ-CG2 4.49Å; V122-V709 HydrophobicContact CG2-CG1 4.03Å; L704-V709 HydrophobicContact CD2-CB 3.92Å; L704-V709 HydrophobicContact CD2-CG1 3.69Å; L704-V709 HydrophobicContact CD2-CG2 4.17Å; L704-V709 WeakPolarHBondContact O-CB 3.2Å; L704-V709 PolarHBondContact O-N 2.81Å; N707-V709 HydrophobicContact CB-CG2 3.96Å; V709-G712 PolarHBondContact O-N 3.36Å; V709-I713 HydrophobicContact CG1-CD1 4.01Å; V709-I713 WeakPolarHBondContact O-CD1 3.08Å; V709-I713 VanDerWaalsContact O-CG1 3.28Å; V709-I713 WeakPolarHBondContact O-CG1 3.03Å; V709-I713 PolarHBondContact O-N 3.01Å |
| 710 | L | 82.8 | Confident | 82.4 | Confident | 12 Ų | 12 | 23.7 Ų | 23.7 | 6% | 0.063 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.8 | -40.8 | -178.9 | -60.5 | 165.3 | 0 | 0 | 0 | 111 | E97 V100 R705 I713 R714 | E97-L710 HydrophobicContact CG-CD1 3.89Å; V100-L710 HydrophobicContact CB-CD2 4.13Å; V100-L710 HydrophobicContact CG1-CD2 4.19Å; V100-L710 HydrophobicContact CG2-CD2 4Å; R705-L710 HydrophobicContact CG-CD1 4.08Å; L710-I713 PolarHBondContact O-N 3.37Å; L710-R714 WeakPolarHBondContact O-CB 3.03Å; L710-R714 PolarHBondContact O-N 2.67Å |
| 711 | E | 82 | Confident | 81.6 | Confident | 28 Ų | 28 | 24.4 Ų | 24.4 | 13% | 0.131 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -70 | -41.3 | 175.8 | -69.6 | 58.9 | -126 | 0 | 0 | 110.2 | F503 F522 L524 I713 R714 I715 | F503-E711 VanDerWaalsContact CE1-C 3.49Å; F503-E711 HydrophobicContact CE1-CB 3.93Å; F503-E711 HydrophobicContact CZ-CB 3.67Å; F522-E711 HydrophobicContact CB-CG 4.3Å; F522-E711 HydrophobicContact CD1-CB 3.73Å; F522-E711 HydrophobicContact CD1-CG 3.72Å; F522-E711 HydrophobicContact CE1-CB 4.23Å; F522-E711 HydrophobicContact CG-CB 4.37Å; F522-E711 HydrophobicContact CG-CG 4.4Å; L524-E711 HydrophobicContact CD1-CB 3.87Å; L524-E711 HydrophobicContact CD1-CG 3.8Å; E711-I713 VanDerWaalsContact C-N 3.3Å; E711-I713 PolarHBondContact O-N 3.29Å; E711-R714 CarbonylContact O-C 3.59Å; E711-R714 WeakPolarHBondContact O-CA 3.33Å; E711-R714 WeakPolarHBondContact O-CB 3.3Å; E711-R714 PolarHBondContact O-N 2.94Å; E711-R714 IonicContact OE1-CZ 2.62Å; E711-R714 IonicContact OE1-NH1 3.71Å; E711-R714 PolarHBondContact OE1-NH1 3.42Å; E711-R714 IonicContact OE1-NH2 3.33Å; E711-R714 PolarHBondContact OE1-NH2 3.4Å; E711-I715 PolarHBondContact O-N 3.17Å |
| 712 | G | 81.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.8 | -39.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | G708 V709 I715 C716 | G708-G712 PolarHBondContact O-N 2.97Å; V709-G712 PolarHBondContact O-N 3.36Å; G712-I715 WeakPolarHBondContact O-CG2 3.14Å; G712-C716 PolarHBondContact O-N 2.9Å; G712-C716 PolarHBondContact O-SG 2.71Å |
| 713 | I | 82.4 | Confident | 81.2 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -73.5 | -36.2 | 172.9 | -60.5 | 160.2 | 0 | 0 | 0 | 110.7 | M89 A90 M95 V100 F120 V709 L710 E711 C716 R717 | M89-I713 HydrophobicContact CB-CD1 3.96Å; M89-I713 HydrophobicContact CE-CD1 4.2Å; A90-I713 HydrophobicContact CB-CG2 4.48Å; M95-I713 HydrophobicContact CG-CG2 4.16Å; M95-I713 HydrophobicContact SD-CB 4.15Å; M95-I713 HydrophobicContact SD-CG2 3.69Å; V100-I713 HydrophobicContact CG2-CD1 4.31Å; F120-I713 HydrophobicContact CZ-CG1 4.43Å; V709-I713 HydrophobicContact CG1-CD1 4.01Å; V709-I713 WeakPolarHBondContact O-CD1 3.08Å; V709-I713 VanDerWaalsContact O-CG1 3.28Å; V709-I713 WeakPolarHBondContact O-CG1 3.03Å; V709-I713 PolarHBondContact O-N 3.01Å; L710-I713 PolarHBondContact O-N 3.37Å; E711-I713 VanDerWaalsContact C-N 3.3Å; E711-I713 PolarHBondContact O-N 3.29Å; I713-C716 PolarHBondContact O-N 3.17Å; I713-R717 VanDerWaalsContact O-CB 3.32Å; I713-R717 WeakPolarHBondContact O-CB 3.22Å; I713-R717 PolarHBondContact O-N 3.46Å; I713-R717 VanDerWaalsContact O-N 3.11Å |
| 714 | R | 80.4 | Confident | 81.1 | Confident | 57 Ų | 57 | 26 Ų | 26 | 22% | 0.215 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.8 | -45.4 | 178.1 | -167.4 | 176.4 | -48.2 | 134.4 | 15.6 | 112.3 | M95 F522 L710 E711 R717 R718 | M95-R714 HydrophobicContact CE-CB 3.82Å; M95-R714 HydrophobicContact CE-CG 3.9Å; M95-R714 HydrophobicContact SD-CB 4.24Å; F522-R714 HydrophobicContact CE1-CB 4.18Å; F522-R714 HydrophobicContact CE1-CG 4.21Å; L710-R714 WeakPolarHBondContact O-CB 3.03Å; L710-R714 PolarHBondContact O-N 2.67Å; E711-R714 CarbonylContact O-C 3.59Å; E711-R714 WeakPolarHBondContact O-CA 3.33Å; E711-R714 WeakPolarHBondContact O-CB 3.3Å; E711-R714 PolarHBondContact O-N 2.94Å; E711-R714 IonicContact OE1-CZ 2.62Å; E711-R714 IonicContact OE1-NH1 3.71Å; E711-R714 PolarHBondContact OE1-NH1 3.42Å; E711-R714 IonicContact OE1-NH2 3.33Å; E711-R714 PolarHBondContact OE1-NH2 3.4Å; R714-R717 PolarHBondContact O-N 2.67Å; R714-R718 WeakPolarHBondContact O-CB 3.31Å; R714-R718 PolarHBondContact O-N 2.97Å |
| 715 | I | 79.6 | Confident | 81.2 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.9 | -46 | 177.2 | -169.7 | 60 | 0 | 0 | 0 | 111.2 | M502 F503 Q507 W517 F522 E711 G712 R717 R718 G719 | M502-I715 HydrophobicContact CE-CG2 4.13Å; F503-I715 HydrophobicContact CD1-CB 4.11Å; F503-I715 HydrophobicContact CD1-CG2 3.78Å; F503-I715 HydrophobicContact CE1-CB 4.32Å; F503-I715 HydrophobicContact CE1-CG2 3.71Å; Q507-I715 HydrophobicContact CG-CD1 4.25Å; W517-I715 HydrophobicContact CH2-CD1 3.97Å; W517-I715 HydrophobicContact CZ2-CD1 3.69Å; F522-I715 HydrophobicContact CE2-CB 4.38Å; F522-I715 HydrophobicContact CE2-CD1 4.24Å; F522-I715 HydrophobicContact CZ-CB 3.9Å; F522-I715 HydrophobicContact CZ-CD1 4.15Å; F522-I715 HydrophobicContact CZ-CG1 4.47Å; E711-I715 PolarHBondContact O-N 3.17Å; G712-I715 WeakPolarHBondContact O-CG2 3.14Å; I715-R717 PolarHBondContact O-N 3.42Å; I715-R717 VanDerWaalsContact O-N 3.09Å; I715-R718 PolarHBondContact O-N 3.41Å; I715-G719 PolarHBondContact O-N 3.32Å |
| 716 | C | 75.6 | Confident | 81.6 | Confident | 4 Ų | 4 | 25.4 Ų | 25.4 | 3% | 0.027 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.2 | -22.8 | 178.6 | -66.7 | 0 | 0 | 0 | 0 | 114 | L119 G712 I713 P721 | L119-C716 PolarHBondContact N-SG 3.45Å; L119-C716 VanDerWaalsContact N-SG 3.42Å; G712-C716 PolarHBondContact O-N 2.9Å; G712-C716 PolarHBondContact O-SG 2.71Å; I713-C716 PolarHBondContact O-N 3.17Å; C716-P721 HydrophobicContact CB-CG 4.48Å |
| 717 | R | 73.7 | Confident | 82 | Confident | 26 Ų | 26 | 31 Ų | 31 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -93.9 | -32.8 | 178.8 | 175.5 | -179.3 | 172.7 | 141.6 | 10.7 | 113.9 | L92 I713 R714 I715 Q1444 | L92-R717 PolarHBondContact O-NH1 2.67Å; I713-R717 VanDerWaalsContact O-CB 3.32Å; I713-R717 WeakPolarHBondContact O-CB 3.22Å; I713-R717 PolarHBondContact O-N 3.46Å; I713-R717 VanDerWaalsContact O-N 3.11Å; R714-R717 PolarHBondContact O-N 2.67Å; I715-R717 PolarHBondContact O-N 3.42Å; I715-R717 VanDerWaalsContact O-N 3.09Å; R717-Q1444 VanDerWaalsContact CZ-OE1 3.29Å; R717-Q1444 PolarHBondContact O-NE2 3.41Å |
| 718 | R | 75.5 | Confident | 82.3 | Confident | 55 Ų | 55 | 33.8 Ų | 33.8 | 21% | 0.208 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -83.3 | -48.9 | 178.6 | -75.5 | -172 | 169.9 | -152.8 | -4.1 | 111.2 | W517 R714 I715 M1437 | W517-R718 HydrophobicContact CH2-CB 3.79Å; W517-R718 HydrophobicContact CZ3-CB 4.19Å; R714-R718 WeakPolarHBondContact O-CB 3.31Å; R714-R718 PolarHBondContact O-N 2.97Å; I715-R718 PolarHBondContact O-N 3.41Å; R718-M1437 PolarHBondContact NH2-SD 3.33Å |
| 719 | G | 78.2 | Confident | 82.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -76.6 | -164.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I715 | I715-G719 PolarHBondContact O-N 3.32Š|
| 720 | F | 84.2 | Confident | 83.1 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | trans | -130 | 69.4 | -172.6 | -60.2 | -94.9 | 0 | 0 | 0 | 110 | Y510 I515 S722 C767 F774 F775 K776 | Y510-F720 PolarHBondContact OH-N 2.7Å; I515-F720 HydrophobicContact CD1-CD2 4.13Å; F720-S722 PolarHBondContact O-N 2.99Å; F720-C767 HydrophobicContact CE1-CB 4.3Å; F720-C767 HydrophobicContact CE2-CB 4.38Å; F720-C767 HydrophobicContact CZ-CB 4.2Å; F720-C767 WeakPolarHBondContact CZ-SG 3.2Å; F720-F774 HydrophobicContact CB-CB 3.64Å; F720-F774 HydrophobicContact CB-CD1 4.28Å; F720-F774 HydrophobicContact CB-CG 4.45Å; F720-F774 HydrophobicContact CG-CB 4.12Å; F720-F775 CarbonylContact C-O 3.53Å; F720-F775 WeakPolarHBondContact CA-O 2.99Å; F720-K776 HydrophobicContact CD1-CG 3.75Å; F720-K776 HydrophobicContact CE1-CD 4.26Å; F720-K776 HydrophobicContact CE1-CG 3.98Å; F720-K776 HydrophobicContact CG-CG 4.48Å | ||
| 721 | P | 75.1 | Confident | 83.3 | Confident | 15 Ų | 15 | 43.5 Ų | 43.5 | 10% | 0.097 | 20% | 0.198 | C | C | . | . | trans | -75.5 | 29.6 | -168.2 | 35.5 | -41.1 | 0 | 0 | 0 | 114 | L119 E506 C716 V777 | L119-P721 HydrophobicContact CD1-CB 3.94Å; L119-P721 HydrophobicContact CD2-CB 4.11Å; L119-P721 HydrophobicContact CG-CB 4.01Å; E506-P721 WeakPolarHBondContact OE1-CA 3.41Å; C716-P721 HydrophobicContact CB-CG 4.48Å; P721-V777 HydrophobicContact CG-CG2 3.5Å; P721-V777 VanDerWaalsContact CG-CG2 3.5Å | ||
| 722 | S | 78.7 | Confident | 83.6 | Confident | 36 Ų | 36 | 44.6 Ų | 44.6 | 25% | 0.252 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 109.7 | 177.5 | -69.3 | 0 | 0 | 0 | 0 | 107.5 | F720 F774 F775 | F720-S722 PolarHBondContact O-N 2.99Å; S722-F774 CarbonylContact O-C 3.6Å; S722-F775 PolarHBondContact N-O 3.46Å; S722-F775 PolarHBondContact O-N 2.75Å |
| 723 | R | 86.7 | Confident | 84 | Confident | 123 Ų | 123 | 44.8 Ų | 44.8 | 46% | 0.464 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 144.5 | -174.2 | 60.9 | -175.8 | 173.3 | -125.5 | -2.3 | 111.4 | E506 E509 I773 F774 | E506-R723 IonicContact OE2-CZ 3.92Å; E506-R723 IonicContact OE2-NH1 3.22Å; E506-R723 PolarHBondContact OE2-NH1 3.48Å; E509-R723 IonicContact OE1-NE 3.42Å; R723-I773 VanDerWaalsContact CA-O 3.27Å; R723-I773 WeakPolarHBondContact CA-O 3.36Å; R723-F774 HydrophobicContact CB-CD1 4.06Å; R723-F774 HydrophobicContact CB-CE1 3.92Å; R723-F774 HydrophobicContact CB-CZ 4.39Å |
| 724 | I | 87.7 | Confident | 84.4 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 140.3 | -178 | -174.8 | 167.5 | 0 | 0 | 0 | 110.5 | E728 F729 Y733 K772 I773 F775 | I724-E728 HydrophobicContact CD1-CB 4.22Å; I724-E728 HydrophobicContact CD1-CG 4.16Å; I724-E728 HydrophobicContact CG1-CB 3.95Å; I724-E728 HydrophobicContact CG1-CG 4.29Å; I724-E728 WeakPolarHBondContact CG1-OE2 2.96Å; I724-F729 HydrophobicContact CD1-CB 4.07Å; I724-F729 HydrophobicContact CD1-CD2 4.35Å; I724-F729 HydrophobicContact CG1-CB 4.22Å; I724-F729 HydrophobicContact CG2-CB 4.17Å; I724-F729 HydrophobicContact CG2-CD2 3.98Å; I724-Y733 HydrophobicContact CD1-CE2 4.04Å; I724-K772 CarbonylContact O-C 3.58Å; I724-K772 VanDerWaalsContact O-CA 3.29Å; I724-K772 WeakPolarHBondContact O-CA 3.27Å; I724-I773 HydrophobicContact CG2-CB 4.02Å; I724-I773 HydrophobicContact CG2-CD1 4.26Å; I724-I773 HydrophobicContact CG2-CG1 4.3Å; I724-I773 PolarHBondContact N-O 3.5Å; I724-I773 PolarHBondContact O-N 2.8Å; I724-F775 HydrophobicContact CG2-CD2 4.12Å; I724-F775 HydrophobicContact CG2-CE2 3.72Å |
| 725 | L | 91 | Very high | 84.8 | Confident | 90 Ų | 90 | 48.6 Ų | 48.6 | 47% | 0.471 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 147.1 | 177.7 | -71.7 | 165.2 | 0 | 0 | 0 | 111.1 | Q727 E728 F729 K772 | L725-Q727 VanDerWaalsContact C-N 3.28Å; L725-Q727 PolarHBondContact O-N 2.84Å; L725-E728 HydrophobicContact CB-CB 4.41Å; L725-E728 PolarHBondContact O-N 2.97Å; L725-E728 VanDerWaalsContact O-N 3.12Å; L725-F729 PolarHBondContact O-N 2.67Å; L725-K772 HydrophobicContact CD2-CG 3.83Å; L725-K772 HydrophobicContact CG-CG 4.44Å |
| 726 | F | 92.3 | Very high | 85.2 | Confident | 17 Ų | 17 | 49.9 Ų | 49.9 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.3 | -40.3 | -179.8 | -61.5 | -30.8 | 0 | 0 | 0 | 113.6 | R730 R749 V752 I768 H770 S771 K772 I773 | F726-R730 WeakPolarHBondContact O-CB 3.11Å; F726-R730 PolarHBondContact O-N 3.28Å; F726-R749 HydrophobicContact CD2-CB 4.02Å; F726-R749 HydrophobicContact CE2-CB 3.6Å; F726-R749 HydrophobicContact CE2-CG 3.67Å; F726-R749 HydrophobicContact CZ-CB 4.19Å; F726-R749 HydrophobicContact CZ-CG 3.77Å; F726-V752 HydrophobicContact CB-CG2 3.77Å; F726-V752 HydrophobicContact CD1-CB 4.25Å; F726-V752 HydrophobicContact CD1-CG1 4.13Å; F726-V752 HydrophobicContact CD1-CG2 3.89Å; F726-V752 HydrophobicContact CE1-CG1 4.44Å; F726-V752 HydrophobicContact CG-CG2 4.11Å; F726-I768 HydrophobicContact CE1-CG2 3.82Å; F726-I768 HydrophobicContact CZ-CG2 3.78Å; F726-H770 WeakPolarHBondContact CE2-O 3.23Å; F726-S771 WeakPolarHBondContact CD2-O 3.32Å; F726-S771 WeakPolarHBondContact CG-O 3.36Å; F726-S771 PolarHBondContact N-O 3.03Å; F726-S771 VanDerWaalsContact N-O 3.16Å; F726-K772 WeakPolarHBondContact CE1-O 3.16Å; F726-I773 HydrophobicContact CD1-CG1 3.68Å; F726-I773 HydrophobicContact CE1-CG1 3.86Å |
| 727 | Q | 88.5 | Confident | 85.9 | Confident | 157 Ų | 157 | 49.9 Ų | 49.9 | 73% | 0.734 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -65.5 | -42.3 | 177.7 | -176.9 | 176.7 | -1.2 | 0 | 0 | 112.1 | L725 Q731 | L725-Q727 VanDerWaalsContact C-N 3.28Å; L725-Q727 PolarHBondContact O-N 2.84Å; Q727-Q731 WeakPolarHBondContact O-CB 3.41Å; Q727-Q731 PolarHBondContact O-N 3.31Å |
| 728 | E | 88.7 | Confident | 86.3 | Confident | 64 Ų | 64 | 52.7 Ų | 52.7 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.9 | -46.2 | 177.8 | -164 | -154.3 | 148.7 | 0 | 0 | 110.6 | I724 L725 R730 Q731 R732 | I724-E728 HydrophobicContact CD1-CB 4.22Å; I724-E728 HydrophobicContact CD1-CG 4.16Å; I724-E728 HydrophobicContact CG1-CB 3.95Å; I724-E728 HydrophobicContact CG1-CG 4.29Å; I724-E728 WeakPolarHBondContact CG1-OE2 2.96Å; L725-E728 HydrophobicContact CB-CB 4.41Å; L725-E728 PolarHBondContact O-N 2.97Å; L725-E728 VanDerWaalsContact O-N 3.12Å; E728-R730 VanDerWaalsContact C-N 3.29Å; E728-R730 PolarHBondContact O-N 2.9Å; E728-Q731 PolarHBondContact O-N 2.81Å; E728-R732 WeakPolarHBondContact O-CB 3.18Å; E728-R732 PolarHBondContact O-N 3.03Å; E728-R732 WeakPolarHBondContact OE1-CD 3.45Å; E728-R732 IonicContact OE1-CZ 3.09Å; E728-R732 IonicContact OE1-NE 2.73Å; E728-R732 IonicContact OE1-NH1 3.18Å; E728-R732 PolarHBondContact OE1-NH1 3.25Å |
| 729 | F | 91.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.6 | -43.4 | 177.5 | -174.6 | -92 | 0 | 0 | 0 | 111.7 | I724 L725 Y733 V752 M755 L756 L759 I773 F775 L783 | I724-F729 HydrophobicContact CD1-CB 4.07Å; I724-F729 HydrophobicContact CD1-CD2 4.35Å; I724-F729 HydrophobicContact CG1-CB 4.22Å; I724-F729 HydrophobicContact CG2-CB 4.17Å; I724-F729 HydrophobicContact CG2-CD2 3.98Å; L725-F729 PolarHBondContact O-N 2.67Å; F729-Y733 HydrophobicContact CB-CD2 4.48Å; F729-Y733 HydrophobicContact CD1-CD2 4.38Å; F729-Y733 AromaticContact CD2-CD2 3.31Å; F729-Y733 HydrophobicContact CD2-CD2 3.31Å; F729-Y733 AromaticContact CD2-CE2 3.55Å; F729-Y733 HydrophobicContact CD2-CE2 3.55Å; F729-Y733 HydrophobicContact CD2-CG 4.42Å; F729-Y733 HydrophobicContact CE1-CD2 4.5Å; F729-Y733 AromaticContact CE2-CD2 3.45Å; F729-Y733 HydrophobicContact CE2-CD2 3.45Å; F729-Y733 VanDerWaalsContact CE2-CD2 3.45Å; F729-Y733 AromaticContact CE2-CE2 3.79Å; F729-Y733 HydrophobicContact CE2-CE2 3.79Å; F729-Y733 HydrophobicContact CE2-CG 4.22Å; F729-Y733 AromaticContact CG-CD2 3.82Å; F729-Y733 HydrophobicContact CG-CD2 3.82Å; F729-Y733 HydrophobicContact CG-CE2 4.37Å; F729-Y733 HydrophobicContact CZ-CD2 4.07Å; F729-Y733 HydrophobicContact CZ-CG 4.5Å; F729-Y733 WeakPolarHBondContact O-CD2 3.38Å; F729-Y733 PolarHBondContact O-N 3.35Å; F729-V752 HydrophobicContact CD1-CG2 4.1Å; F729-M755 HydrophobicContact CD1-CE 3.85Å; F729-M755 HydrophobicContact CD1-SD 4.17Å; F729-M755 HydrophobicContact CE1-CB 4.16Å; F729-M755 HydrophobicContact CE1-CE 3.74Å; F729-M755 HydrophobicContact CE1-SD 4.3Å; F729-L756 HydrophobicContact CE1-CD2 4.05Å; F729-L756 HydrophobicContact CE1-CG 4.32Å; F729-L756 HydrophobicContact CE2-CD2 4.45Å; F729-L756 HydrophobicContact CZ-CD2 3.67Å; F729-L756 HydrophobicContact CZ-CG 4.43Å; F729-L759 HydrophobicContact CE1-CD1 4.35Å; F729-L759 HydrophobicContact CZ-CD1 3.89Å; F729-I773 HydrophobicContact CB-CD1 3.55Å; F729-I773 HydrophobicContact CD1-CD1 3.49Å; F729-I773 VanDerWaalsContact CD1-CD1 3.49Å; F729-I773 HydrophobicContact CD2-CD1 3.51Å; F729-I773 HydrophobicContact CE1-CD1 4.01Å; F729-I773 HydrophobicContact CE2-CD1 4.05Å; F729-I773 HydrophobicContact CG-CD1 3.2Å; F729-I773 HydrophobicContact CZ-CD1 4.27Å; F729-F775 HydrophobicContact CD2-CE2 4.05Å; F729-F775 HydrophobicContact CD2-CZ 4.11Å; F729-F775 AromaticContact CE2-CE2 3.9Å; F729-F775 HydrophobicContact CE2-CE2 3.9Å; F729-F775 AromaticContact CE2-CZ 3.51Å; F729-F775 HydrophobicContact CE2-CZ 3.51Å; F729-F775 HydrophobicContact CZ-CZ 4.14Å; F729-L783 HydrophobicContact CE2-CD1 3.94Å; F729-L783 HydrophobicContact CZ-CD1 4.29Å |
| 730 | R | 89 | Confident | 87 | Confident | 59 Ų | 59 | 60.3 Ų | 60.3 | 22% | 0.223 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.7 | -62.4 | 171.8 | -179.7 | 179.2 | 174.2 | 169.8 | 7.7 | 110.7 | F726 E728 R732 Y733 E734 I741 M755 | F726-R730 WeakPolarHBondContact O-CB 3.11Å; F726-R730 PolarHBondContact O-N 3.28Å; E728-R730 VanDerWaalsContact C-N 3.29Å; E728-R730 PolarHBondContact O-N 2.9Å; R730-R732 PolarHBondContact O-N 2.95Å; R730-R732 VanDerWaalsContact O-N 3.08Å; R730-Y733 PolarHBondContact O-N 2.73Å; R730-E734 HydrophobicContact CG-CB 4.45Å; R730-E734 WeakPolarHBondContact CG-OE2 3.34Å; R730-E734 IonicContact CZ-OE1 3.04Å; R730-E734 IonicContact CZ-OE2 2.67Å; R730-E734 IonicContact NE-OE1 2.95Å; R730-E734 IonicContact NE-OE2 3.99Å; R730-E734 PolarHBondContact NE-OE2 3.23Å; R730-E734 IonicContact NH2-OE1 2.69Å; R730-E734 PolarHBondContact NH2-OE1 3.08Å; R730-E734 IonicContact NH2-OE2 2.72Å; R730-E734 PolarHBondContact NH2-OE2 3.3Å; R730-E734 WeakPolarHBondContact O-CB 3.48Å; R730-E734 PolarHBondContact O-N 2.74Å; R730-I741 HydrophobicContact CG-CD1 3.95Å; R730-M755 HydrophobicContact CB-SD 4.13Å; R730-M755 HydrophobicContact CG-SD 4.21Å |
| 731 | Q | 86.7 | Confident | 87 | Confident | 158 Ų | 158 | 60.2 Ų | 60.2 | 74% | 0.738 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -57.4 | -30.5 | -176.1 | -171.2 | 178.9 | 10.4 | 0 | 0 | 113.4 | Q727 E728 | Q727-Q731 WeakPolarHBondContact O-CB 3.41Å; Q727-Q731 PolarHBondContact O-N 3.31Å; E728-Q731 PolarHBondContact O-N 2.81Å |
| 732 | R | 88.8 | Confident | 87.2 | Confident | 50 Ų | 50 | 63.2 Ų | 63.2 | 19% | 0.189 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -83 | -42.3 | -177.3 | -160.5 | 167.4 | -172.2 | 137.4 | 4 | 112.1 | E728 R730 E784 R787 | E728-R732 WeakPolarHBondContact O-CB 3.18Å; E728-R732 PolarHBondContact O-N 3.03Å; E728-R732 WeakPolarHBondContact OE1-CD 3.45Å; E728-R732 IonicContact OE1-CZ 3.09Å; E728-R732 IonicContact OE1-NE 2.73Å; E728-R732 IonicContact OE1-NH1 3.18Å; E728-R732 PolarHBondContact OE1-NH1 3.25Å; R730-R732 PolarHBondContact O-N 2.95Å; R730-R732 VanDerWaalsContact O-N 3.08Å; R732-E784 IonicContact CZ-OE1 2.64Å; R732-E784 IonicContact NE-OE1 3.96Å; R732-E784 PolarHBondContact NE-OE1 2.75Å; R732-E784 IonicContact NH2-OE1 3.47Å; R732-E784 PolarHBondContact NH2-OE1 3.25Å; R732-E784 IonicContact NH2-OE2 3Å; R732-R787 WeakPolarHBondContact O-CD 2.96Å; R732-R787 PolarHBondContact O-NE 3.08Å |
| 733 | Y | 90.9 | Very high | 87.2 | Confident | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -116 | 1.2 | -170.2 | -52.7 | -74.9 | 0 | 0 | 0 | 115.6 | I724 F729 R730 I735 L736 T737 M755 L780 L783 E784 | I724-Y733 HydrophobicContact CD1-CE2 4.04Å; F729-Y733 HydrophobicContact CB-CD2 4.48Å; F729-Y733 HydrophobicContact CD1-CD2 4.38Å; F729-Y733 AromaticContact CD2-CD2 3.31Å; F729-Y733 HydrophobicContact CD2-CD2 3.31Å; F729-Y733 AromaticContact CD2-CE2 3.55Å; F729-Y733 HydrophobicContact CD2-CE2 3.55Å; F729-Y733 HydrophobicContact CD2-CG 4.42Å; F729-Y733 HydrophobicContact CE1-CD2 4.5Å; F729-Y733 AromaticContact CE2-CD2 3.45Å; F729-Y733 HydrophobicContact CE2-CD2 3.45Å; F729-Y733 VanDerWaalsContact CE2-CD2 3.45Å; F729-Y733 AromaticContact CE2-CE2 3.79Å; F729-Y733 HydrophobicContact CE2-CE2 3.79Å; F729-Y733 HydrophobicContact CE2-CG 4.22Å; F729-Y733 AromaticContact CG-CD2 3.82Å; F729-Y733 HydrophobicContact CG-CD2 3.82Å; F729-Y733 HydrophobicContact CG-CE2 4.37Å; F729-Y733 HydrophobicContact CZ-CD2 4.07Å; F729-Y733 HydrophobicContact CZ-CG 4.5Å; F729-Y733 WeakPolarHBondContact O-CD2 3.38Å; F729-Y733 PolarHBondContact O-N 3.35Å; R730-Y733 PolarHBondContact O-N 2.73Å; Y733-I735 PolarHBondContact O-N 3.49Å; Y733-I735 VanDerWaalsContact O-N 3.13Å; Y733-L736 HydrophobicContact CD1-CD1 4.1Å; Y733-L736 WeakPolarHBondContact O-CB 3.43Å; Y733-L736 PolarHBondContact O-N 3.49Å; Y733-T737 PolarHBondContact O-OG1 2.75Å; Y733-M755 VanDerWaalsContact C-CE 3.45Å; Y733-L780 HydrophobicContact CE2-CD2 4.45Å; Y733-L783 HydrophobicContact CD1-CB 4Å; Y733-L783 HydrophobicContact CE1-CB 3.63Å; Y733-E784 HydrophobicContact CE1-CG 4.23Å; Y733-E784 WeakPolarHBondContact OH-CG 3.4Å |
| 734 | E | 89.6 | Confident | 86.7 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -58.9 | -23.4 | 172.2 | -176.5 | 165.4 | -171.7 | 0 | 0 | 112.1 | R730 L736 T737 M755 | R730-E734 HydrophobicContact CG-CB 4.45Å; R730-E734 WeakPolarHBondContact CG-OE2 3.34Å; R730-E734 IonicContact CZ-OE1 3.04Å; R730-E734 IonicContact CZ-OE2 2.67Å; R730-E734 IonicContact NE-OE1 2.95Å; R730-E734 IonicContact NE-OE2 3.99Å; R730-E734 PolarHBondContact NE-OE2 3.23Å; R730-E734 IonicContact NH2-OE1 2.69Å; R730-E734 PolarHBondContact NH2-OE1 3.08Å; R730-E734 IonicContact NH2-OE2 2.72Å; R730-E734 PolarHBondContact NH2-OE2 3.3Å; R730-E734 WeakPolarHBondContact O-CB 3.48Å; R730-E734 PolarHBondContact O-N 2.74Å; E734-L736 VanDerWaalsContact C-N 3.26Å; E734-L736 PolarHBondContact O-N 2.93Å; E734-T737 CarbonylContact O-C 3.54Å; E734-T737 PolarHBondContact O-N 3.45Å; E734-T737 VanDerWaalsContact O-N 3.08Å; E734-M755 HydrophobicContact CB-CE 4.36Å |
| 735 | I | 89.6 | Confident | 86.3 | Confident | 74 Ų | 74 | 77.8 Ų | 77.8 | 38% | 0.379 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -62.3 | -26.3 | 170.1 | -168.2 | 169.6 | 0 | 0 | 0 | 114.2 | Y733 R787 L791 | Y733-I735 PolarHBondContact O-N 3.49Å; Y733-I735 VanDerWaalsContact O-N 3.13Å; I735-R787 HydrophobicContact CG2-CG 4.16Å; I735-L791 HydrophobicContact CD1-CD2 3.48Å; I735-L791 VanDerWaalsContact CD1-CD2 3.48Å; I735-L791 HydrophobicContact CD1-CG 4.02Å |
| 736 | L | 88.6 | Confident | 85.8 | Confident | 30 Ų | 30 | 76.2 Ų | 76.2 | 16% | 0.157 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -85.7 | -15.1 | 174.4 | -61.2 | 179.3 | 0 | 0 | 0 | 112.5 | Y733 E734 P738 L759 L783 D786 R787 H790 | Y733-L736 HydrophobicContact CD1-CD1 4.1Å; Y733-L736 WeakPolarHBondContact O-CB 3.43Å; Y733-L736 PolarHBondContact O-N 3.49Å; E734-L736 VanDerWaalsContact C-N 3.26Å; E734-L736 PolarHBondContact O-N 2.93Å; L736-P738 WeakPolarHBondContact O-CD 3.05Å; L736-L759 HydrophobicContact CB-CD2 3.91Å; L736-L759 HydrophobicContact CD1-CD2 4.18Å; L736-L783 HydrophobicContact CD1-CD2 4.42Å; L736-D786 HydrophobicContact CD1-CB 4.22Å; L736-D786 HydrophobicContact CD2-CB 4.23Å; L736-R787 HydrophobicContact CD1-CB 4.42Å; L736-H790 HydrophobicContact CD2-CB 4.39Å |
| 737 | T | 88.3 | Confident | 85.5 | Confident | 4 Ų | 4 | 78.9 Ų | 78.9 | 3% | 0.025 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -126.3 | 49.8 | -173.7 | 43.2 | 0 | 0 | 0 | 0 | 112.4 | Y733 E734 N739 V740 M755 A758 L759 | Y733-T737 PolarHBondContact O-OG1 2.75Å; E734-T737 CarbonylContact O-C 3.54Å; E734-T737 PolarHBondContact O-N 3.45Å; E734-T737 VanDerWaalsContact O-N 3.08Å; T737-N739 PolarHBondContact O-N 3.32Å; T737-V740 HydrophobicContact CG2-CG2 4.44Å; T737-V740 WeakPolarHBondContact O-CB 3.42Å; T737-V740 WeakPolarHBondContact O-CG2 3.11Å; T737-V740 PolarHBondContact O-N 2.84Å; T737-M755 HydrophobicContact CG2-CB 4.46Å; T737-A758 HydrophobicContact CG2-CB 3.81Å; T737-L759 HydrophobicContact CG2-CD2 3.98Å; T737-L759 HydrophobicContact CG2-CG 3.81Å |
| 738 | P | 83 | Confident | 85.4 | Confident | 85 Ų | 85 | 72.7 Ų | 72.7 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 135.4 | -175.5 | 28.1 | -36 | 0 | 0 | 0 | 112 | L736 V740 | L736-P738 WeakPolarHBondContact O-CD 3.05Å; P738-V740 PolarHBondContact O-N 3.12Å |
| 739 | N | 83.6 | Confident | 85.4 | Confident | 163 Ų | 163 | 74.5 Ų | 74.5 | 87% | 0.872 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 5.3 | -177.3 | -39.7 | -70.1 | 0 | 0 | 0 | 116 | T737 | T737-N739 PolarHBondContact O-N 3.32Š|
| 740 | V | 85.5 | Confident | 85.2 | Confident | 53 Ų | 53 | 80.9 Ų | 80.9 | 32% | 0.321 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -39.6 | 174.8 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | T737 P738 E754 A758 | T737-V740 HydrophobicContact CG2-CG2 4.44Å; T737-V740 WeakPolarHBondContact O-CB 3.42Å; T737-V740 WeakPolarHBondContact O-CG2 3.11Å; T737-V740 PolarHBondContact O-N 2.84Å; P738-V740 PolarHBondContact O-N 3.12Å; V740-E754 HydrophobicContact CG1-CB 4Å; V740-A758 HydrophobicContact CB-CB 4.42Å; V740-A758 HydrophobicContact CG1-CB 3.97Å; V740-A758 HydrophobicContact CG2-CB 3.64Å |
| 741 | I | 83.5 | Confident | 85.2 | Confident | 12 Ų | 12 | 78 Ų | 78 | 6% | 0.062 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -95.3 | 126.7 | 174.5 | -56.9 | 165.6 | 0 | 0 | 0 | 109 | R730 M746 A751 M755 | R730-I741 HydrophobicContact CG-CD1 3.95Å; I741-M746 HydrophobicContact CG2-SD 4.46Å; I741-A751 HydrophobicContact CD1-CB 3.94Å; I741-A751 HydrophobicContact CG1-CB 4.31Å; I741-M755 HydrophobicContact CD1-CG 3.73Å; I741-M755 HydrophobicContact CD1-SD 3.66Å; I741-M755 HydrophobicContact CG1-CG 4.25Å |
| 742 | P | 79.6 | Confident | 85.4 | Confident | 78 Ų | 78 | 70.5 Ų | 70.5 | 51% | 0.506 | 36% | 0.364 | S | S | . | . | trans | -59.6 | 151.7 | 170.2 | -23.3 | 34.1 | 0 | 0 | 0 | 112.1 | G744 M746 | P742-G744 PolarHBondContact O-N 3.21Å; P742-M746 HydrophobicContact CG-CE 4.15Å | ||
| 743 | K | 79.1 | Confident | 85.4 | Confident | 221 Ų | 221 | 70 Ų | 70 | 96% | 0.961 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -62.9 | -14.1 | -177.6 | -68.1 | -173 | 177.5 | -177 | 0 | 115.6 | ||
| 744 | G | 76.3 | Confident | 85.3 | Confident | 48 Ų | 48 | 73.4 Ų | 73.4 | 50% | 0.495 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -80.3 | 178.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P742 | P742-G744 PolarHBondContact O-N 3.21Š|
| 745 | F | 77.8 | Confident | 85.4 | Confident | 204 Ų | 204 | 70.4 Ų | 70.4 | 90% | 0.895 | 37% | 0.368 | S | S | * | . | trans | -65.5 | 138.4 | 172.5 | -176.7 | -96.4 | 0 | 0 | 0 | 111.3 | ||||
| 746 | M | 81.7 | Confident | 85.4 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 28% | 0.281 | 35% | 0.35 | S | S | . | . | trans | -145.1 | 138.2 | 173.2 | -177.9 | 179.3 | -72.6 | 0 | 0 | 108.3 | I741 P742 G748 K750 A751 | I741-M746 HydrophobicContact CG2-SD 4.46Å; P742-M746 HydrophobicContact CG-CE 4.15Å; M746-G748 PolarHBondContact O-N 3.32Å; M746-K750 HydrophobicContact CG-CB 4.19Å; M746-K750 HydrophobicContact SD-CB 4.29Å; M746-A751 HydrophobicContact CB-CB 4.48Å; M746-A751 HydrophobicContact CG-CB 4.16Å; M746-A751 HydrophobicContact SD-CB 3.92Å | ||
| 747 | D | 85.4 | Confident | 85.4 | Confident | 72 Ų | 72 | 70.8 Ų | 70.8 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | trans | -48.5 | 130.3 | 171.4 | 155.4 | 44.2 | 0 | 0 | 0 | 111 | R749 K750 A751 | D747-R749 PolarHBondContact O-N 2.95Å; D747-R749 PolarHBondContact OD1-N 2.8Å; D747-K750 HydrophobicContact CB-CB 4.42Å; D747-K750 HydrophobicContact CB-CD 4.29Å; D747-K750 PolarHBondContact O-N 2.9Å; D747-K750 VanDerWaalsContact O-N 3.14Å; D747-K750 WeakPolarHBondContact OD2-CG 3.47Å; D747-K750 PolarHBondContact OD2-N 3.36Å; D747-A751 WeakPolarHBondContact O-CB 3.06Å; D747-A751 PolarHBondContact O-N 2.78Å | ||
| 748 | G | 86.4 | Confident | 85.4 | Confident | 27 Ų | 27 | 73.1 Ų | 73.1 | 28% | 0.278 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -55.9 | -36.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | M746 V752 | M746-G748 PolarHBondContact O-N 3.32Å; G748-V752 VanDerWaalsContact O-CB 3.25Å; G748-V752 WeakPolarHBondContact O-CB 3.25Å; G748-V752 VanDerWaalsContact O-CG2 3.26Å; G748-V752 WeakPolarHBondContact O-CG2 3.43Å; G748-V752 PolarHBondContact O-N 2.87Å |
| 749 | R | 88.4 | Confident | 85.6 | Confident | 102 Ų | 102 | 70.8 Ų | 70.8 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | 179.3 | -162.3 | 176.1 | -164.4 | -136.8 | 1 | 111.6 | F726 D747 T753 I768 G769 | F726-R749 HydrophobicContact CD2-CB 4.02Å; F726-R749 HydrophobicContact CE2-CB 3.6Å; F726-R749 HydrophobicContact CE2-CG 3.67Å; F726-R749 HydrophobicContact CZ-CB 4.19Å; F726-R749 HydrophobicContact CZ-CG 3.77Å; D747-R749 PolarHBondContact O-N 2.95Å; D747-R749 PolarHBondContact OD1-N 2.8Å; R749-T753 WeakPolarHBondContact O-CB 3.41Å; R749-T753 PolarHBondContact O-N 2.93Å; R749-T753 PolarHBondContact O-OG1 3.34Å; R749-I768 HydrophobicContact CG-CG2 3.87Å; R749-I768 PolarHBondContact NH2-O 3.34Å; R749-I768 VanDerWaalsContact NH2-O 3.1Å; R749-G769 PolarHBondContact NE-O 3.4Å; R749-G769 PolarHBondContact NH2-O 2.8Å |
| 750 | K | 88.2 | Confident | 85.7 | Confident | 134 Ų | 134 | 69.8 Ų | 69.8 | 58% | 0.583 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.6 | -48 | 173.2 | -73.8 | 172.9 | -170.3 | 176.5 | 0 | 112.4 | M746 D747 V752 T753 E754 | M746-K750 HydrophobicContact CG-CB 4.19Å; M746-K750 HydrophobicContact SD-CB 4.29Å; D747-K750 HydrophobicContact CB-CB 4.42Å; D747-K750 HydrophobicContact CB-CD 4.29Å; D747-K750 PolarHBondContact O-N 2.9Å; D747-K750 VanDerWaalsContact O-N 3.14Å; D747-K750 WeakPolarHBondContact OD2-CG 3.47Å; D747-K750 PolarHBondContact OD2-N 3.36Å; K750-V752 VanDerWaalsContact C-N 3.32Å; K750-V752 PolarHBondContact O-N 3.28Å; K750-T753 WeakPolarHBondContact O-CB 3.5Å; K750-T753 PolarHBondContact O-N 3.11Å; K750-E754 PolarHBondContact O-N 3.28Å |
| 751 | A | 88.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.7 | -47.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I741 M746 D747 T753 E754 M755 | I741-A751 HydrophobicContact CD1-CB 3.94Å; I741-A751 HydrophobicContact CG1-CB 4.31Å; M746-A751 HydrophobicContact CB-CB 4.48Å; M746-A751 HydrophobicContact CG-CB 4.16Å; M746-A751 HydrophobicContact SD-CB 3.92Å; D747-A751 WeakPolarHBondContact O-CB 3.06Å; D747-A751 PolarHBondContact O-N 2.78Å; A751-T753 PolarHBondContact O-N 3.16Å; A751-E754 PolarHBondContact O-N 3.25Å; A751-M755 WeakPolarHBondContact O-CG 3.47Å; A751-M755 PolarHBondContact O-N 3.01Å |
| 752 | V | 90.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 172.3 | 159.7 | 0 | 0 | 0 | 0 | 112.5 | F726 F729 G748 K750 E754 M755 L756 I773 | F726-V752 HydrophobicContact CB-CG2 3.77Å; F726-V752 HydrophobicContact CD1-CB 4.25Å; F726-V752 HydrophobicContact CD1-CG1 4.13Å; F726-V752 HydrophobicContact CD1-CG2 3.89Å; F726-V752 HydrophobicContact CE1-CG1 4.44Å; F726-V752 HydrophobicContact CG-CG2 4.11Å; F729-V752 HydrophobicContact CD1-CG2 4.1Å; G748-V752 VanDerWaalsContact O-CB 3.25Å; G748-V752 WeakPolarHBondContact O-CB 3.25Å; G748-V752 VanDerWaalsContact O-CG2 3.26Å; G748-V752 WeakPolarHBondContact O-CG2 3.43Å; G748-V752 PolarHBondContact O-N 2.87Å; K750-V752 VanDerWaalsContact C-N 3.32Å; K750-V752 PolarHBondContact O-N 3.28Å; V752-E754 VanDerWaalsContact C-N 3.34Å; V752-E754 PolarHBondContact O-N 3.08Å; V752-M755 PolarHBondContact O-N 2.93Å; V752-L756 HydrophobicContact CG1-CD1 3.55Å; V752-L756 HydrophobicContact CG1-CG 4.17Å; V752-L756 WeakPolarHBondContact O-CB 3.28Å; V752-L756 VanDerWaalsContact O-CG 3.26Å; V752-L756 WeakPolarHBondContact O-CG 3.35Å; V752-L756 PolarHBondContact O-N 2.91Å; V752-I773 HydrophobicContact CB-CD1 4.35Å; V752-I773 HydrophobicContact CG1-CD1 3.35Å; V752-I773 HydrophobicContact CG1-CG1 3.71Å; V752-I773 HydrophobicContact CG2-CD1 4.03Å |
| 753 | T | 89.9 | Confident | 85.5 | Confident | 40 Ų | 40 | 73.7 Ų | 73.7 | 25% | 0.245 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | -179.3 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | R749 K750 A751 K757 | R749-T753 WeakPolarHBondContact O-CB 3.41Å; R749-T753 PolarHBondContact O-N 2.93Å; R749-T753 PolarHBondContact O-OG1 3.34Å; K750-T753 WeakPolarHBondContact O-CB 3.5Å; K750-T753 PolarHBondContact O-N 3.11Å; A751-T753 PolarHBondContact O-N 3.16Å; T753-K757 WeakPolarHBondContact O-CG 3.45Å; T753-K757 PolarHBondContact O-N 3.13Å |
| 754 | E | 88.8 | Confident | 85.3 | Confident | 74 Ų | 74 | 66.6 Ų | 66.6 | 35% | 0.346 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.7 | -36.3 | 174.8 | -56.2 | -43.5 | 123.3 | 0 | 0 | 112.6 | V740 K750 A751 V752 K757 A758 | V740-E754 HydrophobicContact CG1-CB 4Å; K750-E754 PolarHBondContact O-N 3.28Å; A751-E754 PolarHBondContact O-N 3.25Å; V752-E754 VanDerWaalsContact C-N 3.34Å; V752-E754 PolarHBondContact O-N 3.08Å; E754-K757 PolarHBondContact O-N 2.79Å; E754-K757 IonicContact OE1-NZ 2.8Å; E754-K757 PolarHBondContact OE1-NZ 2.94Å; E754-K757 VanDerWaalsContact OE2-CD 3.24Å; E754-K757 WeakPolarHBondContact OE2-CD 3.37Å; E754-K757 IonicContact OE2-NZ 2.62Å; E754-K757 PolarHBondContact OE2-NZ 2.87Å; E754-A758 WeakPolarHBondContact O-CB 3.48Å; E754-A758 PolarHBondContact O-N 3.26Å |
| 755 | M | 91 | Very high | 85.7 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 171.2 | -70.3 | 174.5 | 70.1 | 0 | 0 | 112.3 | F729 R730 Y733 E734 T737 I741 A751 V752 K757 A758 L759 | F729-M755 HydrophobicContact CD1-CE 3.85Å; F729-M755 HydrophobicContact CD1-SD 4.17Å; F729-M755 HydrophobicContact CE1-CB 4.16Å; F729-M755 HydrophobicContact CE1-CE 3.74Å; F729-M755 HydrophobicContact CE1-SD 4.3Å; R730-M755 HydrophobicContact CB-SD 4.13Å; R730-M755 HydrophobicContact CG-SD 4.21Å; Y733-M755 VanDerWaalsContact C-CE 3.45Å; E734-M755 HydrophobicContact CB-CE 4.36Å; T737-M755 HydrophobicContact CG2-CB 4.46Å; I741-M755 HydrophobicContact CD1-CG 3.73Å; I741-M755 HydrophobicContact CD1-SD 3.66Å; I741-M755 HydrophobicContact CG1-CG 4.25Å; A751-M755 WeakPolarHBondContact O-CG 3.47Å; A751-M755 PolarHBondContact O-N 3.01Å; V752-M755 PolarHBondContact O-N 2.93Å; M755-K757 VanDerWaalsContact C-N 3.31Å; M755-K757 PolarHBondContact O-N 3.1Å; M755-A758 CarbonylContact O-C 3.39Å; M755-A758 PolarHBondContact O-N 3.33Å; M755-A758 VanDerWaalsContact O-N 3.12Å; M755-L759 VanDerWaalsContact O-CG 3.3Å; M755-L759 WeakPolarHBondContact O-CG 3.28Å; M755-L759 PolarHBondContact O-N 3.08Å |
| 756 | L | 90.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.3 | -32.5 | -178 | -70.5 | 169.1 | 0 | 0 | 0 | 112.5 | F729 V752 L761 Y766 I768 I773 F775 | F729-L756 HydrophobicContact CE1-CD2 4.05Å; F729-L756 HydrophobicContact CE1-CG 4.32Å; F729-L756 HydrophobicContact CE2-CD2 4.45Å; F729-L756 HydrophobicContact CZ-CD2 3.67Å; F729-L756 HydrophobicContact CZ-CG 4.43Å; V752-L756 HydrophobicContact CG1-CD1 3.55Å; V752-L756 HydrophobicContact CG1-CG 4.17Å; V752-L756 WeakPolarHBondContact O-CB 3.28Å; V752-L756 VanDerWaalsContact O-CG 3.26Å; V752-L756 WeakPolarHBondContact O-CG 3.35Å; V752-L756 PolarHBondContact O-N 2.91Å; L756-L761 HydrophobicContact CD2-CD1 3.79Å; L756-Y766 HydrophobicContact CB-CE1 4.41Å; L756-Y766 HydrophobicContact CB-CE2 4.44Å; L756-Y766 HydrophobicContact CD1-CD2 3.89Å; L756-Y766 HydrophobicContact CD1-CE2 3.71Å; L756-I768 HydrophobicContact CD1-CD1 3.74Å; L756-I768 HydrophobicContact CD1-CG1 3.99Å; L756-I773 HydrophobicContact CD1-CD1 4.39Å; L756-I773 HydrophobicContact CD1-CG2 4.19Å; L756-F775 HydrophobicContact CD2-CE1 4.23Å; L756-F775 HydrophobicContact CD2-CZ 4Å |
| 757 | K | 87.7 | Confident | 86.7 | Confident | 112 Ų | 112 | 55.1 Ų | 55.1 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.6 | -46.6 | 168.1 | -71.1 | 162.8 | 175.2 | 171.1 | 0 | 111.6 | T753 E754 M755 L759 D760 | T753-K757 WeakPolarHBondContact O-CG 3.45Å; T753-K757 PolarHBondContact O-N 3.13Å; E754-K757 PolarHBondContact O-N 2.79Å; E754-K757 IonicContact OE1-NZ 2.8Å; E754-K757 PolarHBondContact OE1-NZ 2.94Å; E754-K757 VanDerWaalsContact OE2-CD 3.24Å; E754-K757 WeakPolarHBondContact OE2-CD 3.37Å; E754-K757 IonicContact OE2-NZ 2.62Å; E754-K757 PolarHBondContact OE2-NZ 2.87Å; M755-K757 VanDerWaalsContact C-N 3.31Å; M755-K757 PolarHBondContact O-N 3.1Å; K757-L759 PolarHBondContact O-N 3.33Å; K757-D760 PolarHBondContact O-N 3.43Å |
| 758 | A | 88.3 | Confident | 86.9 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 45% | 0.446 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -69.4 | -17.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | T737 V740 E754 M755 | T737-A758 HydrophobicContact CG2-CB 3.81Å; V740-A758 HydrophobicContact CB-CB 4.42Å; V740-A758 HydrophobicContact CG1-CB 3.97Å; V740-A758 HydrophobicContact CG2-CB 3.64Å; E754-A758 WeakPolarHBondContact O-CB 3.48Å; E754-A758 PolarHBondContact O-N 3.26Å; M755-A758 CarbonylContact O-C 3.39Å; M755-A758 PolarHBondContact O-N 3.33Å; M755-A758 VanDerWaalsContact O-N 3.12Å |
| 759 | L | 87.9 | Confident | 87.1 | Confident | 36 Ų | 36 | 52 Ų | 52 | 19% | 0.188 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 1.9 | 170.6 | -68.4 | 166.9 | 0 | 0 | 0 | 113.4 | F729 L736 T737 M755 K757 L761 L783 | F729-L759 HydrophobicContact CE1-CD1 4.35Å; F729-L759 HydrophobicContact CZ-CD1 3.89Å; L736-L759 HydrophobicContact CB-CD2 3.91Å; L736-L759 HydrophobicContact CD1-CD2 4.18Å; T737-L759 HydrophobicContact CG2-CD2 3.98Å; T737-L759 HydrophobicContact CG2-CG 3.81Å; M755-L759 VanDerWaalsContact O-CG 3.3Å; M755-L759 WeakPolarHBondContact O-CG 3.28Å; M755-L759 PolarHBondContact O-N 3.08Å; K757-L759 PolarHBondContact O-N 3.33Å; L759-L761 HydrophobicContact CB-CD1 4.11Å; L759-L761 HydrophobicContact CB-CG 3.97Å; L759-L761 HydrophobicContact CD1-CD1 4.34Å; L759-L761 PolarHBondContact O-N 2.9Å; L759-L783 HydrophobicContact CD1-CD2 4.1Å; L759-L783 HydrophobicContact CD2-CD2 4.18Å |
| 760 | D | 84.9 | Confident | 87.2 | Confident | 141 Ų | 141 | 53.2 Ų | 53.2 | 75% | 0.754 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 27.4 | -179.1 | -93.7 | -34.7 | 0 | 0 | 0 | 114.9 | K757 | K757-D760 PolarHBondContact O-N 3.43Š|
| 761 | L | 83.1 | Confident | 87.3 | Confident | 40 Ų | 40 | 49 Ų | 49 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | trans | -74.7 | 136.5 | -179.4 | -66.7 | 173.6 | 0 | 0 | 0 | 111.5 | L756 L759 V765 Y766 F775 V779 L783 | L756-L761 HydrophobicContact CD2-CD1 3.79Å; L759-L761 HydrophobicContact CB-CD1 4.11Å; L759-L761 HydrophobicContact CB-CG 3.97Å; L759-L761 HydrophobicContact CD1-CD1 4.34Å; L759-L761 PolarHBondContact O-N 2.9Å; L761-V765 HydrophobicContact CB-CG2 4.48Å; L761-Y766 HydrophobicContact CB-CD1 3.93Å; L761-Y766 HydrophobicContact CB-CE1 3.76Å; L761-Y766 WeakPolarHBondContact O-CE1 3.17Å; L761-F775 HydrophobicContact CD1-CE1 4.3Å; L761-V779 HydrophobicContact CD2-CG1 4.37Å; L761-L783 HydrophobicContact CD1-CD1 4.2Å; L761-L783 HydrophobicContact CD1-CD2 4.41Å | ||
| 762 | S | 79.4 | Confident | 87.5 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 28% | 0.28 | 27% | 0.272 | S | S | . | . | trans | -68.4 | 140.5 | 173.5 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | D764 V765 Y766 | S762-D764 PolarHBondContact O-N 2.68Å; S762-D764 VanDerWaalsContact OG-CG 3.27Å; S762-D764 PolarHBondContact OG-N 3.22Å; S762-D764 VanDerWaalsContact OG-N 3.16Å; S762-D764 PolarHBondContact OG-OD2 2.94Å; S762-V765 VanDerWaalsContact O-CG2 3.28Å; S762-V765 WeakPolarHBondContact O-CG2 3.23Å; S762-V765 PolarHBondContact O-N 3.12Å; S762-Y766 WeakPolarHBondContact O-CD1 3.35Å; S762-Y766 WeakPolarHBondContact O-CE1 3.38Å | ||
| 763 | H | 81.5 | Confident | 87.6 | Confident | 145 Ų | 145 | 51.3 Ų | 51.3 | 67% | 0.671 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -15.8 | 167 | -67.6 | -65.8 | 0 | 0 | 0 | 113.4 | V765 Y766 | H763-V765 VanDerWaalsContact C-N 3.32Å; H763-Y766 PolarHBondContact CE1-OH 3.41Å; H763-Y766 AromaticContact ND1-CE2 3.92Å; H763-Y766 AromaticContact ND1-CZ 3.57Å; H763-Y766 PolarHBondContact ND1-OH 3Å; H763-Y766 VanDerWaalsContact ND1-OH 3.09Å |
| 764 | D | 76.2 | Confident | 87.6 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 39% | 0.39 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -24.4 | 174 | -49.5 | -54.1 | 0 | 0 | 0 | 113.3 | S762 K776 N1451 | S762-D764 PolarHBondContact O-N 2.68Å; S762-D764 VanDerWaalsContact OG-CG 3.27Å; S762-D764 PolarHBondContact OG-N 3.22Å; S762-D764 VanDerWaalsContact OG-N 3.16Å; S762-D764 PolarHBondContact OG-OD2 2.94Å; D764-K776 WeakPolarHBondContact O-CD 3.47Å; D764-K776 WeakPolarHBondContact O-CE 3.2Å; D764-K776 PolarHBondContact O-NZ 3.45Å; D764-N1451 PolarHBondContact OD2-ND2 3.3Å |
| 765 | V | 84.7 | Confident | 87.6 | Confident | 41 Ų | 41 | 45.9 Ų | 45.9 | 25% | 0.248 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -8.6 | -169.9 | -53.2 | 0 | 0 | 0 | 0 | 114 | L761 S762 H763 K776 V779 | L761-V765 HydrophobicContact CB-CG2 4.48Å; S762-V765 VanDerWaalsContact O-CG2 3.28Å; S762-V765 WeakPolarHBondContact O-CG2 3.23Å; S762-V765 PolarHBondContact O-N 3.12Å; H763-V765 VanDerWaalsContact C-N 3.32Å; V765-K776 PolarHBondContact O-N 3.4Å; V765-V779 HydrophobicContact CB-CG2 3.87Å; V765-V779 HydrophobicContact CG2-CG1 4.3Å; V765-V779 HydrophobicContact CG2-CG2 4.17Å |
| 766 | Y | 89.3 | Confident | 87.1 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 165.1 | 174.5 | 70.9 | -95.3 | 0 | 0 | 0 | 112.8 | L756 L761 S762 H763 I768 F774 F775 | L756-Y766 HydrophobicContact CB-CE1 4.41Å; L756-Y766 HydrophobicContact CB-CE2 4.44Å; L756-Y766 HydrophobicContact CD1-CD2 3.89Å; L756-Y766 HydrophobicContact CD1-CE2 3.71Å; L761-Y766 HydrophobicContact CB-CD1 3.93Å; L761-Y766 HydrophobicContact CB-CE1 3.76Å; L761-Y766 WeakPolarHBondContact O-CE1 3.17Å; S762-Y766 WeakPolarHBondContact O-CD1 3.35Å; S762-Y766 WeakPolarHBondContact O-CE1 3.38Å; H763-Y766 PolarHBondContact CE1-OH 3.41Å; H763-Y766 AromaticContact ND1-CE2 3.92Å; H763-Y766 AromaticContact ND1-CZ 3.57Å; H763-Y766 PolarHBondContact ND1-OH 3Å; H763-Y766 VanDerWaalsContact ND1-OH 3.09Å; Y766-I768 HydrophobicContact CD2-CG1 3.99Å; Y766-I768 HydrophobicContact CE2-CD1 3.97Å; Y766-I768 HydrophobicContact CE2-CG1 3.88Å; Y766-F774 CarbonylContact C-O 3.58Å; Y766-F774 WeakPolarHBondContact CA-O 3.5Å; Y766-F774 WeakPolarHBondContact CB-O 3.42Å; Y766-F775 HydrophobicContact CG-CE1 4.47Å |
| 767 | C | 89.6 | Confident | 86.1 | Confident | 18 Ų | 18 | 51 Ų | 51 | 12% | 0.122 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 147.4 | 167.6 | -88 | 0 | 0 | 0 | 0 | 110.1 | I515 F720 I773 F774 | I515-C767 HydrophobicContact CB-CB 4.26Å; I515-C767 HydrophobicContact CD1-CB 4.45Å; I515-C767 HydrophobicContact CG2-CB 4.2Å; F720-C767 HydrophobicContact CE1-CB 4.3Å; F720-C767 HydrophobicContact CE2-CB 4.38Å; F720-C767 HydrophobicContact CZ-CB 4.2Å; F720-C767 WeakPolarHBondContact CZ-SG 3.2Å; C767-I773 WeakPolarHBondContact O-CG2 3.37Å; C767-F774 HydrophobicContact CB-CB 4.2Å; C767-F774 PolarHBondContact N-O 3.29Å; C767-F774 PolarHBondContact O-N 3.44Å |
| 768 | I | 90.9 | Very high | 85.3 | Confident | 35 Ų | 35 | 47.8 Ų | 47.8 | 18% | 0.179 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 105.8 | -177.6 | -54.9 | 179.1 | 0 | 0 | 0 | 109.1 | F726 R749 L756 Y766 | F726-I768 HydrophobicContact CE1-CG2 3.82Å; F726-I768 HydrophobicContact CZ-CG2 3.78Å; R749-I768 HydrophobicContact CG-CG2 3.87Å; R749-I768 PolarHBondContact NH2-O 3.34Å; R749-I768 VanDerWaalsContact NH2-O 3.1Å; L756-I768 HydrophobicContact CD1-CD1 3.74Å; L756-I768 HydrophobicContact CD1-CG1 3.99Å; Y766-I768 HydrophobicContact CD2-CG1 3.99Å; Y766-I768 HydrophobicContact CE2-CD1 3.97Å; Y766-I768 HydrophobicContact CE2-CG1 3.88Å |
| 769 | G | 91 | Very high | 84.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -76.5 | -151.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E513 R749 K772 | E513-G769 CarbonylContact O-C 3.05Å; E513-G769 VanDerWaalsContact O-C 3.31Å; E513-G769 WeakPolarHBondContact O-CA 3.46Å; R749-G769 PolarHBondContact NE-O 3.4Å; R749-G769 PolarHBondContact NH2-O 2.8Å; G769-K772 WeakPolarHBondContact CA-O 3.3Å; G769-K772 PolarHBondContact N-O 2.83Å | ||
| 770 | H | 89.5 | Confident | 84.6 | Confident | 127 Ų | 127 | 46.1 Ų | 46.1 | 59% | 0.588 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -87.7 | -34.5 | 177.1 | -72.5 | -53.4 | 0 | 0 | 0 | 112.9 | E513 F726 | E513-H770 PolarHBondContact O-CD2 3.35Å; E513-H770 VanDerWaalsContact O-CD2 3.28Å; E513-H770 PolarHBondContact O-N 3.48Å; E513-H770 PolarHBondContact OE2-N 2.92Å; F726-H770 WeakPolarHBondContact CE2-O 3.23Å |
| 771 | S | 91 | Very high | 84 | Confident | 46 Ų | 46 | 40.5 Ų | 40.5 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -130.9 | -18 | 177.4 | 82.6 | 0 | 0 | 0 | 0 | 114.1 | E513 F726 | E513-S771 PolarHBondContact OE1-OG 3.5Å; E513-S771 PolarHBondContact OE2-N 3.27Å; F726-S771 WeakPolarHBondContact CD2-O 3.32Å; F726-S771 WeakPolarHBondContact CG-O 3.36Å; F726-S771 PolarHBondContact N-O 3.03Å; F726-S771 VanDerWaalsContact N-O 3.16Å |
| 772 | K | 92.4 | Very high | 83.9 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 20% | 0.204 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 151.1 | -173.3 | -65.9 | 162.1 | -149.2 | -178 | 0 | 112.8 | E509 E513 I724 L725 F726 G769 F774 | E509-K772 IonicContact OE1-NZ 2.93Å; E509-K772 PolarHBondContact OE1-NZ 3.47Å; E513-K772 HydrophobicContact CG-CD 4.37Å; E513-K772 WeakPolarHBondContact OE1-CE 3.34Å; E513-K772 PolarHBondContact OE2-N 3.26Å; I724-K772 CarbonylContact O-C 3.58Å; I724-K772 VanDerWaalsContact O-CA 3.29Å; I724-K772 WeakPolarHBondContact O-CA 3.27Å; L725-K772 HydrophobicContact CD2-CG 3.83Å; L725-K772 HydrophobicContact CG-CG 4.44Å; F726-K772 WeakPolarHBondContact CE1-O 3.16Å; G769-K772 WeakPolarHBondContact CA-O 3.3Å; G769-K772 PolarHBondContact N-O 2.83Å; K772-F774 HydrophobicContact CB-CD2 4.37Å; K772-F774 HydrophobicContact CB-CE2 3.8Å; K772-F774 HydrophobicContact CB-CZ 4.34Å |
| 773 | I | 92.2 | Very high | 84.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.1 | 162 | -35.5 | 173.5 | 0 | 0 | 0 | 107.9 | R723 I724 F726 F729 V752 L756 C767 F775 | R723-I773 VanDerWaalsContact CA-O 3.27Å; R723-I773 WeakPolarHBondContact CA-O 3.36Å; I724-I773 HydrophobicContact CG2-CB 4.02Å; I724-I773 HydrophobicContact CG2-CD1 4.26Å; I724-I773 HydrophobicContact CG2-CG1 4.3Å; I724-I773 PolarHBondContact N-O 3.5Å; I724-I773 PolarHBondContact O-N 2.8Å; F726-I773 HydrophobicContact CD1-CG1 3.68Å; F726-I773 HydrophobicContact CE1-CG1 3.86Å; F729-I773 HydrophobicContact CB-CD1 3.55Å; F729-I773 HydrophobicContact CD1-CD1 3.49Å; F729-I773 VanDerWaalsContact CD1-CD1 3.49Å; F729-I773 HydrophobicContact CD2-CD1 3.51Å; F729-I773 HydrophobicContact CE1-CD1 4.01Å; F729-I773 HydrophobicContact CE2-CD1 4.05Å; F729-I773 HydrophobicContact CG-CD1 3.2Å; F729-I773 HydrophobicContact CZ-CD1 4.27Å; V752-I773 HydrophobicContact CB-CD1 4.35Å; V752-I773 HydrophobicContact CG1-CD1 3.35Å; V752-I773 HydrophobicContact CG1-CG1 3.71Å; V752-I773 HydrophobicContact CG2-CD1 4.03Å; L756-I773 HydrophobicContact CD1-CD1 4.39Å; L756-I773 HydrophobicContact CD1-CG2 4.19Å; C767-I773 WeakPolarHBondContact O-CG2 3.37Å; I773-F775 HydrophobicContact CB-CD2 4.29Å; I773-F775 HydrophobicContact CB-CE2 3.68Å; I773-F775 HydrophobicContact CB-CZ 4.26Å; I773-F775 HydrophobicContact CD1-CE2 4.18Å; I773-F775 HydrophobicContact CD1-CZ 4.31Å; I773-F775 HydrophobicContact CG2-CD2 4.08Å; I773-F775 HydrophobicContact CG2-CE1 4.32Å; I773-F775 HydrophobicContact CG2-CE2 3.47Å; I773-F775 VanDerWaalsContact CG2-CE2 3.47Å; I773-F775 HydrophobicContact CG2-CZ 3.61Å |
| 774 | F | 91.1 | Very high | 84.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 135.1 | 176.8 | -75.8 | -91 | 0 | 0 | 0 | 109 | E509 Y510 E513 I515 F720 S722 R723 Y766 C767 K772 | E509-F774 HydrophobicContact CG-CE1 4.17Å; E509-F774 HydrophobicContact CG-CZ 3.95Å; Y510-F774 AromaticContact CD1-CD1 3.91Å; Y510-F774 HydrophobicContact CD1-CD1 3.91Å; Y510-F774 AromaticContact CD1-CE1 3.64Å; Y510-F774 HydrophobicContact CD1-CE1 3.64Å; Y510-F774 HydrophobicContact CD1-CZ 4.39Å; Y510-F774 AromaticContact CE1-CD1 3.74Å; Y510-F774 HydrophobicContact CE1-CD1 3.74Å; Y510-F774 AromaticContact CE1-CE1 3.74Å; Y510-F774 HydrophobicContact CE1-CE1 3.74Å; E513-F774 HydrophobicContact CB-CE2 3.59Å; E513-F774 HydrophobicContact CB-CZ 3.91Å; E513-F774 HydrophobicContact CG-CE2 3.71Å; E513-F774 HydrophobicContact CG-CZ 3.8Å; I515-F774 HydrophobicContact CD1-CD1 4.46Å; I515-F774 HydrophobicContact CD1-CG 4.24Å; I515-F774 HydrophobicContact CG2-CD2 3.81Å; I515-F774 HydrophobicContact CG2-CE2 4.14Å; I515-F774 HydrophobicContact CG2-CG 4.49Å; F720-F774 HydrophobicContact CB-CB 3.64Å; F720-F774 HydrophobicContact CB-CD1 4.28Å; F720-F774 HydrophobicContact CB-CG 4.45Å; F720-F774 HydrophobicContact CG-CB 4.12Å; S722-F774 CarbonylContact O-C 3.6Å; R723-F774 HydrophobicContact CB-CD1 4.06Å; R723-F774 HydrophobicContact CB-CE1 3.92Å; R723-F774 HydrophobicContact CB-CZ 4.39Å; Y766-F774 CarbonylContact C-O 3.58Å; Y766-F774 WeakPolarHBondContact CA-O 3.5Å; Y766-F774 WeakPolarHBondContact CB-O 3.42Å; C767-F774 HydrophobicContact CB-CB 4.2Å; C767-F774 PolarHBondContact N-O 3.29Å; C767-F774 PolarHBondContact O-N 3.44Å; K772-F774 HydrophobicContact CB-CD2 4.37Å; K772-F774 HydrophobicContact CB-CE2 3.8Å; K772-F774 HydrophobicContact CB-CZ 4.34Å |
| 775 | F | 87.2 | Confident | 84.5 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.7 | -175.1 | -73.6 | -78.2 | 0 | 0 | 0 | 111.8 | F720 S722 I724 F729 L756 L761 Y766 I773 V779 L780 L783 | F720-F775 CarbonylContact C-O 3.53Å; F720-F775 WeakPolarHBondContact CA-O 2.99Å; S722-F775 PolarHBondContact N-O 3.46Å; S722-F775 PolarHBondContact O-N 2.75Å; I724-F775 HydrophobicContact CG2-CD2 4.12Å; I724-F775 HydrophobicContact CG2-CE2 3.72Å; F729-F775 HydrophobicContact CD2-CE2 4.05Å; F729-F775 HydrophobicContact CD2-CZ 4.11Å; F729-F775 AromaticContact CE2-CE2 3.9Å; F729-F775 HydrophobicContact CE2-CE2 3.9Å; F729-F775 AromaticContact CE2-CZ 3.51Å; F729-F775 HydrophobicContact CE2-CZ 3.51Å; F729-F775 HydrophobicContact CZ-CZ 4.14Å; L756-F775 HydrophobicContact CD2-CE1 4.23Å; L756-F775 HydrophobicContact CD2-CZ 4Å; L761-F775 HydrophobicContact CD1-CE1 4.3Å; Y766-F775 HydrophobicContact CG-CE1 4.47Å; I773-F775 HydrophobicContact CB-CD2 4.29Å; I773-F775 HydrophobicContact CB-CE2 3.68Å; I773-F775 HydrophobicContact CB-CZ 4.26Å; I773-F775 HydrophobicContact CD1-CE2 4.18Å; I773-F775 HydrophobicContact CD1-CZ 4.31Å; I773-F775 HydrophobicContact CG2-CD2 4.08Å; I773-F775 HydrophobicContact CG2-CE1 4.32Å; I773-F775 HydrophobicContact CG2-CE2 3.47Å; I773-F775 VanDerWaalsContact CG2-CE2 3.47Å; I773-F775 HydrophobicContact CG2-CZ 3.61Å; F775-V779 HydrophobicContact CB-CB 4.33Å; F775-V779 HydrophobicContact CD1-CB 3.96Å; F775-V779 HydrophobicContact CD1-CG1 3.58Å; F775-V779 HydrophobicContact CE1-CG1 3.99Å; F775-L780 HydrophobicContact CB-CG 4.23Å; F775-L780 HydrophobicContact CD2-CD1 4.32Å; F775-L780 HydrophobicContact CD2-CD2 3.5Å; F775-L780 HydrophobicContact CD2-CG 3.86Å; F775-L780 HydrophobicContact CE2-CD2 3.58Å; F775-L780 HydrophobicContact CE2-CG 4.44Å; F775-L780 HydrophobicContact CG-CD2 4.04Å; F775-L780 HydrophobicContact CG-CG 4.11Å; F775-L780 HydrophobicContact CZ-CD2 4.19Å; F775-L783 HydrophobicContact CE1-CD1 4.39Å; F775-L783 HydrophobicContact CZ-CD1 4.42Å |
| 776 | K | 81.3 | Confident | 84.5 | Confident | 55 Ų | 55 | 37.7 Ų | 37.7 | 24% | 0.239 | 21% | 0.205 | C | C | . | . | trans | -74.9 | 157.1 | 169.5 | -74 | -179.9 | 177.3 | 153 | 0 | 111.5 | F720 D764 V765 G778 V779 | F720-K776 HydrophobicContact CD1-CG 3.75Å; F720-K776 HydrophobicContact CE1-CD 4.26Å; F720-K776 HydrophobicContact CE1-CG 3.98Å; F720-K776 HydrophobicContact CG-CG 4.48Å; D764-K776 WeakPolarHBondContact O-CD 3.47Å; D764-K776 WeakPolarHBondContact O-CE 3.2Å; D764-K776 PolarHBondContact O-NZ 3.45Å; V765-K776 PolarHBondContact O-N 3.4Å; K776-G778 PolarHBondContact O-N 2.92Å; K776-V779 HydrophobicContact CB-CG2 4.35Å; K776-V779 WeakPolarHBondContact O-CG2 2.95Å; K776-V779 PolarHBondContact O-N 3.47Å | ||
| 777 | V | 69.6 | Low | 84.5 | Confident | 54 Ų | 54 | 40 Ų | 40 | 33% | 0.327 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 125.8 | -178.4 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | P721 | P721-V777 HydrophobicContact CG-CG2 3.5Å; P721-V777 VanDerWaalsContact CG-CG2 3.5Å |
| 778 | G | 69.8 | Low | 84.3 | Confident | 43 Ų | 43 | 42 Ų | 42 | 44% | 0.443 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | -17.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K776 A781 Q782 | K776-G778 PolarHBondContact O-N 2.92Å; G778-A781 VanDerWaalsContact O-CB 3.32Å; G778-A781 WeakPolarHBondContact O-CB 3.33Å; G778-A781 PolarHBondContact O-N 3.36Å; G778-A781 VanDerWaalsContact O-N 3.09Å; G778-Q782 PolarHBondContact O-N 2.89Å; G778-Q782 VanDerWaalsContact O-N 3.17Å |
| 779 | V | 81 | Confident | 84.1 | Confident | 21 Ų | 21 | 45.2 Ų | 45.2 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.3 | -46.4 | -177.7 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | L761 V765 F775 K776 A781 Q782 L783 | L761-V779 HydrophobicContact CD2-CG1 4.37Å; V765-V779 HydrophobicContact CB-CG2 3.87Å; V765-V779 HydrophobicContact CG2-CG1 4.3Å; V765-V779 HydrophobicContact CG2-CG2 4.17Å; F775-V779 HydrophobicContact CB-CB 4.33Å; F775-V779 HydrophobicContact CD1-CB 3.96Å; F775-V779 HydrophobicContact CD1-CG1 3.58Å; F775-V779 HydrophobicContact CE1-CG1 3.99Å; K776-V779 HydrophobicContact CB-CG2 4.35Å; K776-V779 WeakPolarHBondContact O-CG2 2.95Å; K776-V779 PolarHBondContact O-N 3.47Å; V779-A781 PolarHBondContact O-N 3.45Å; V779-Q782 PolarHBondContact O-N 2.88Å; V779-L783 PolarHBondContact O-N 2.87Å |
| 780 | L | 80.5 | Confident | 83.8 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 18% | 0.183 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63 | -23.8 | 173.4 | -70.2 | -174.7 | 0 | 0 | 0 | 113.1 | Y733 F775 L783 E784 | Y733-L780 HydrophobicContact CE2-CD2 4.45Å; F775-L780 HydrophobicContact CB-CG 4.23Å; F775-L780 HydrophobicContact CD2-CD1 4.32Å; F775-L780 HydrophobicContact CD2-CD2 3.5Å; F775-L780 HydrophobicContact CD2-CG 3.86Å; F775-L780 HydrophobicContact CE2-CD2 3.58Å; F775-L780 HydrophobicContact CE2-CG 4.44Å; F775-L780 HydrophobicContact CG-CD2 4.04Å; F775-L780 HydrophobicContact CG-CG 4.11Å; F775-L780 HydrophobicContact CZ-CD2 4.19Å; L780-L783 HydrophobicContact CD2-CD1 4.43Å; L780-E784 VanDerWaalsContact O-CB 3.27Å; L780-E784 WeakPolarHBondContact O-CB 3.34Å; L780-E784 WeakPolarHBondContact O-CG 3.02Å; L780-E784 PolarHBondContact O-N 2.91Å; L780-E784 VanDerWaalsContact O-N 3.08Å |
| 781 | A | 73.2 | Confident | 83.8 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.9 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | H147 G778 V779 E784 E785 | H147-A781 VanDerWaalsContact CE1-CB 3.43Å; H147-A781 WeakPolarHBondContact CE1-CB 3.32Å; H147-A781 WeakPolarHBondContact ND1-CB 3.28Å; G778-A781 VanDerWaalsContact O-CB 3.32Å; G778-A781 WeakPolarHBondContact O-CB 3.33Å; G778-A781 PolarHBondContact O-N 3.36Å; G778-A781 VanDerWaalsContact O-N 3.09Å; V779-A781 PolarHBondContact O-N 3.45Å; A781-E784 PolarHBondContact O-N 2.88Å; A781-E785 PolarHBondContact O-N 2.74Å |
| 782 | Q | 80 | Confident | 83.7 | Confident | 101 Ų | 101 | 47.5 Ų | 47.5 | 47% | 0.472 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.8 | -51.6 | 174.2 | -172.2 | 62.5 | 56.8 | 0 | 0 | 110.8 | G778 V779 E784 E785 D786 | G778-Q782 PolarHBondContact O-N 2.89Å; G778-Q782 VanDerWaalsContact O-N 3.17Å; V779-Q782 PolarHBondContact O-N 2.88Å; Q782-E784 PolarHBondContact O-N 3.4Å; Q782-E785 WeakPolarHBondContact O-CA 3.19Å; Q782-E785 PolarHBondContact O-N 2.86Å; Q782-D786 PolarHBondContact NE2-OD1 3.34Å; Q782-D786 PolarHBondContact O-N 3.28Å |
| 783 | L | 86.8 | Confident | 83.3 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.5 | -31.5 | 178.7 | -65.6 | 175.6 | 0 | 0 | 0 | 113 | F729 Y733 L736 L759 L761 F775 V779 L780 R787 | F729-L783 HydrophobicContact CE2-CD1 3.94Å; F729-L783 HydrophobicContact CZ-CD1 4.29Å; Y733-L783 HydrophobicContact CD1-CB 4Å; Y733-L783 HydrophobicContact CE1-CB 3.63Å; L736-L783 HydrophobicContact CD1-CD2 4.42Å; L759-L783 HydrophobicContact CD1-CD2 4.1Å; L759-L783 HydrophobicContact CD2-CD2 4.18Å; L761-L783 HydrophobicContact CD1-CD1 4.2Å; L761-L783 HydrophobicContact CD1-CD2 4.41Å; F775-L783 HydrophobicContact CE1-CD1 4.39Å; F775-L783 HydrophobicContact CZ-CD1 4.42Å; V779-L783 PolarHBondContact O-N 2.87Å; L780-L783 HydrophobicContact CD2-CD1 4.43Å; L783-R787 WeakPolarHBondContact O-CB 3.12Å; L783-R787 PolarHBondContact O-N 3.08Å; L783-R787 VanDerWaalsContact O-N 3.11Å |
| 784 | E | 82.4 | Confident | 83.1 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -76.1 | -31.1 | 173.1 | -87.4 | -88.1 | 130.5 | 0 | 0 | 113.6 | K145 R732 Y733 L780 A781 Q782 R787 D788 | K145-E784 IonicContact NZ-OE2 2.71Å; K145-E784 PolarHBondContact NZ-OE2 2.62Å; R732-E784 IonicContact CZ-OE1 2.64Å; R732-E784 IonicContact NE-OE1 3.96Å; R732-E784 PolarHBondContact NE-OE1 2.75Å; R732-E784 IonicContact NH2-OE1 3.47Å; R732-E784 PolarHBondContact NH2-OE1 3.25Å; R732-E784 IonicContact NH2-OE2 3Å; Y733-E784 HydrophobicContact CE1-CG 4.23Å; Y733-E784 WeakPolarHBondContact OH-CG 3.4Å; L780-E784 VanDerWaalsContact O-CB 3.27Å; L780-E784 WeakPolarHBondContact O-CB 3.34Å; L780-E784 WeakPolarHBondContact O-CG 3.02Å; L780-E784 PolarHBondContact O-N 2.91Å; L780-E784 VanDerWaalsContact O-N 3.08Å; A781-E784 PolarHBondContact O-N 2.88Å; Q782-E784 PolarHBondContact O-N 3.4Å; E784-R787 IonicContact OE1-CZ 2.7Å; E784-R787 IonicContact OE1-NE 2.61Å; E784-R787 IonicContact OE1-NH1 2.74Å; E784-R787 PolarHBondContact OE1-NH1 3.24Å; E784-D788 WeakPolarHBondContact O-CB 3.13Å; E784-D788 PolarHBondContact O-N 3.22Å |
| 785 | E | 81.6 | Confident | 83.1 | Confident | 101 Ų | 101 | 57.5 Ų | 57.5 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.4 | -46.3 | 173.2 | -175.3 | 164.5 | -168.4 | 0 | 0 | 110.7 | A781 Q782 R787 D788 I789 | A781-E785 PolarHBondContact O-N 2.74Å; Q782-E785 WeakPolarHBondContact O-CA 3.19Å; Q782-E785 PolarHBondContact O-N 2.86Å; E785-R787 VanDerWaalsContact C-N 3.29Å; E785-R787 PolarHBondContact O-N 2.83Å; E785-D788 PolarHBondContact O-N 2.87Å; E785-I789 HydrophobicContact CG-CD1 4.1Å; E785-I789 VanDerWaalsContact O-CG1 3.27Å; E785-I789 WeakPolarHBondContact O-CG1 3.39Å; E785-I789 PolarHBondContact O-N 2.91Å |
| 786 | D | 84.7 | Confident | 83.3 | Confident | 52 Ų | 52 | 62.2 Ų | 62.2 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.2 | -44.1 | 174.2 | -55.3 | -29.2 | 0 | 0 | 0 | 110.8 | L736 Q782 I789 H790 | L736-D786 HydrophobicContact CD1-CB 4.22Å; L736-D786 HydrophobicContact CD2-CB 4.23Å; Q782-D786 PolarHBondContact NE2-OD1 3.34Å; Q782-D786 PolarHBondContact O-N 3.28Å; D786-I789 PolarHBondContact O-N 3.04Å; D786-H790 PolarHBondContact O-CD2 3.38Å; D786-H790 PolarHBondContact O-N 3.49Å |
| 787 | R | 89.1 | Confident | 83.8 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 21% | 0.211 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 175.4 | 178.4 | -176.3 | -175.3 | -115.6 | -8.5 | 112.5 | R732 I735 L736 L783 E784 E785 I789 H790 L791 | R732-R787 WeakPolarHBondContact O-CD 2.96Å; R732-R787 PolarHBondContact O-NE 3.08Å; I735-R787 HydrophobicContact CG2-CG 4.16Å; L736-R787 HydrophobicContact CD1-CB 4.42Å; L783-R787 WeakPolarHBondContact O-CB 3.12Å; L783-R787 PolarHBondContact O-N 3.08Å; L783-R787 VanDerWaalsContact O-N 3.11Å; E784-R787 IonicContact OE1-CZ 2.7Å; E784-R787 IonicContact OE1-NE 2.61Å; E784-R787 IonicContact OE1-NH1 2.74Å; E784-R787 PolarHBondContact OE1-NH1 3.24Å; E785-R787 VanDerWaalsContact C-N 3.29Å; E785-R787 PolarHBondContact O-N 2.83Å; R787-I789 VanDerWaalsContact C-N 3.35Å; R787-H790 PolarHBondContact O-N 2.65Å; R787-L791 HydrophobicContact CG-CD1 3.96Å; R787-L791 WeakPolarHBondContact O-CB 3.02Å; R787-L791 VanDerWaalsContact O-CG 3.3Å; R787-L791 WeakPolarHBondContact O-CG 3.36Å; R787-L791 PolarHBondContact O-N 2.77Å |
| 788 | D | 86.1 | Confident | 85 | Confident | 59 Ų | 59 | 70.7 Ų | 70.7 | 32% | 0.316 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.3 | -34.8 | 177.7 | -80.1 | -18.1 | 0 | 0 | 0 | 111.9 | K145 E784 E785 L791 T792 | K145-D788 WeakPolarHBondContact CE-OD2 3.29Å; K145-D788 IonicContact NZ-OD2 3.28Å; K145-D788 PolarHBondContact NZ-OD2 2.58Å; E784-D788 WeakPolarHBondContact O-CB 3.13Å; E784-D788 PolarHBondContact O-N 3.22Å; E785-D788 PolarHBondContact O-N 2.87Å; D788-L791 PolarHBondContact O-N 3.13Å; D788-T792 WeakPolarHBondContact O-CB 3.35Å; D788-T792 PolarHBondContact O-N 3.39Å; D788-T792 PolarHBondContact O-OG1 2.98Å |
| 789 | I | 85.7 | Confident | 86 | Confident | 103 Ų | 103 | 72.3 Ų | 72.3 | 53% | 0.528 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 172 | -70.2 | 164.3 | 0 | 0 | 0 | 110.3 | E785 D786 R787 T792 | E785-I789 HydrophobicContact CG-CD1 4.1Å; E785-I789 VanDerWaalsContact O-CG1 3.27Å; E785-I789 WeakPolarHBondContact O-CG1 3.39Å; E785-I789 PolarHBondContact O-N 2.91Å; D786-I789 PolarHBondContact O-N 3.04Å; R787-I789 VanDerWaalsContact C-N 3.35Å; I789-T792 PolarHBondContact O-N 2.84Å |
| 790 | H | 85.7 | Confident | 86.6 | Confident | 111 Ų | 111 | 74.2 Ų | 74.2 | 51% | 0.514 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 174.9 | -90 | -98.7 | 0 | 0 | 0 | 112.6 | L736 D786 R787 T792 | L736-H790 HydrophobicContact CD2-CB 4.39Å; D786-H790 PolarHBondContact O-CD2 3.38Å; D786-H790 PolarHBondContact O-N 3.49Å; R787-H790 PolarHBondContact O-N 2.65Å; H790-T792 VanDerWaalsContact C-N 3.34Å; H790-T792 PolarHBondContact O-N 3.33Å |
| 791 | L | 88.8 | Confident | 87.2 | Confident | 45 Ų | 45 | 81 Ų | 81 | 24% | 0.236 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68.1 | -29.3 | 179.7 | -74.5 | 171.3 | 0 | 0 | 0 | 113.3 | I735 R787 D788 N793 S794 I795 | I735-L791 HydrophobicContact CD1-CD2 3.48Å; I735-L791 VanDerWaalsContact CD1-CD2 3.48Å; I735-L791 HydrophobicContact CD1-CG 4.02Å; R787-L791 HydrophobicContact CG-CD1 3.96Å; R787-L791 WeakPolarHBondContact O-CB 3.02Å; R787-L791 VanDerWaalsContact O-CG 3.3Å; R787-L791 WeakPolarHBondContact O-CG 3.36Å; R787-L791 PolarHBondContact O-N 2.77Å; D788-L791 PolarHBondContact O-N 3.13Å; L791-N793 VanDerWaalsContact C-N 3.25Å; L791-N793 PolarHBondContact O-N 2.96Å; L791-N793 VanDerWaalsContact O-N 3.15Å; L791-S794 PolarHBondContact O-N 3.23Å; L791-I795 HydrophobicContact CB-CD1 3.91Å; L791-I795 HydrophobicContact CB-CG1 4.47Å; L791-I795 WeakPolarHBondContact O-CG1 3.26Å; L791-I795 PolarHBondContact O-N 3.41Å |
| 792 | T | 89.6 | Confident | 88.2 | Confident | 65 Ų | 65 | 81.4 Ų | 81.4 | 40% | 0.399 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -52.4 | -40.7 | -175 | -73.5 | 0 | 0 | 0 | 0 | 112.8 | D788 I789 H790 S794 I795 I796 | D788-T792 WeakPolarHBondContact O-CB 3.35Å; D788-T792 PolarHBondContact O-N 3.39Å; D788-T792 PolarHBondContact O-OG1 2.98Å; I789-T792 PolarHBondContact O-N 2.84Å; H790-T792 VanDerWaalsContact C-N 3.34Å; H790-T792 PolarHBondContact O-N 3.33Å; T792-S794 PolarHBondContact O-N 3.09Å; T792-I795 PolarHBondContact O-N 3.36Å; T792-I796 HydrophobicContact CG2-CD1 3.7Å; T792-I796 HydrophobicContact CG2-CG1 4.35Å; T792-I796 VanDerWaalsContact O-CG1 3.29Å; T792-I796 WeakPolarHBondContact O-CG1 3.35Å; T792-I796 PolarHBondContact O-N 3.17Å |
| 793 | N | 83.9 | Confident | 88.7 | Confident | 113 Ų | 113 | 84.4 Ų | 84.4 | 60% | 0.604 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63.1 | -38.6 | 177.5 | -77.5 | -52 | 0 | 0 | 0 | 113.3 | L791 K797 | L791-N793 VanDerWaalsContact C-N 3.25Å; L791-N793 PolarHBondContact O-N 2.96Å; L791-N793 VanDerWaalsContact O-N 3.15Å; N793-K797 WeakPolarHBondContact O-CG 3.24Å; N793-K797 PolarHBondContact O-N 2.87Å |
| 794 | S | 87.9 | Confident | 89.1 | Confident | 73 Ų | 73 | 85.2 Ų | 85.2 | 51% | 0.51 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -74.7 | -39.3 | 176.2 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | L791 T792 K797 F798 | L791-S794 PolarHBondContact O-N 3.23Å; T792-S794 PolarHBondContact O-N 3.09Å; S794-K797 PolarHBondContact O-N 3.33Å; S794-F798 WeakPolarHBondContact O-CB 3.02Å; S794-F798 PolarHBondContact O-N 3.37Å |
| 795 | I | 90.2 | Very high | 89.6 | Confident | 71 Ų | 71 | 90.4 Ų | 90.4 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 176 | -68.4 | 167.9 | 0 | 0 | 0 | 110.7 | L791 T792 K797 F798 Q799 | L791-I795 HydrophobicContact CB-CD1 3.91Å; L791-I795 HydrophobicContact CB-CG1 4.47Å; L791-I795 WeakPolarHBondContact O-CG1 3.26Å; L791-I795 PolarHBondContact O-N 3.41Å; T792-I795 PolarHBondContact O-N 3.36Å; I795-K797 PolarHBondContact O-N 2.83Å; I795-F798 PolarHBondContact O-N 3.34Å; I795-Q799 HydrophobicContact CG2-CG 4.28Å; I795-Q799 WeakPolarHBondContact O-CB 3.23Å; I795-Q799 VanDerWaalsContact O-CG 3.29Å; I795-Q799 WeakPolarHBondContact O-CG 3.46Å; I795-Q799 PolarHBondContact O-N 3.42Å |
| 796 | I | 92.4 | Very high | 90.1 | Very high | 99 Ų | 99 | 90.8 Ų | 90.8 | 51% | 0.508 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 178.1 | -70.5 | 167.1 | 0 | 0 | 0 | 111.1 | T792 Q799 A800 | T792-I796 HydrophobicContact CG2-CD1 3.7Å; T792-I796 HydrophobicContact CG2-CG1 4.35Å; T792-I796 VanDerWaalsContact O-CG1 3.29Å; T792-I796 WeakPolarHBondContact O-CG1 3.35Å; T792-I796 PolarHBondContact O-N 3.17Å; I796-Q799 PolarHBondContact O-N 2.83Å; I796-A800 PolarHBondContact O-N 2.83Å |
| 797 | K | 91.9 | Very high | 90.4 | Very high | 141 Ų | 141 | 91.2 Ų | 91.2 | 61% | 0.613 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.4 | -49.9 | 174.7 | -71.6 | 172.4 | -178 | 177.6 | 0 | 111.2 | N793 S794 I795 Q799 A800 Y801 | N793-K797 WeakPolarHBondContact O-CG 3.24Å; N793-K797 PolarHBondContact O-N 2.87Å; S794-K797 PolarHBondContact O-N 3.33Å; I795-K797 PolarHBondContact O-N 2.83Å; K797-Q799 PolarHBondContact O-N 3.3Å; K797-A800 WeakPolarHBondContact O-CB 3.18Å; K797-A800 PolarHBondContact O-N 3.39Å; K797-Y801 WeakPolarHBondContact O-CD2 3Å; K797-Y801 PolarHBondContact O-N 2.78Å; K797-Y801 VanDerWaalsContact O-N 3.08Å |
| 798 | F | 93.7 | Very high | 90.6 | Very high | 147 Ų | 147 | 96 Ų | 96 | 65% | 0.645 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.9 | -45 | 177.2 | 175.2 | -102.4 | 0 | 0 | 0 | 112.3 | S794 I795 A800 Y801 A802 | S794-F798 WeakPolarHBondContact O-CB 3.02Å; S794-F798 PolarHBondContact O-N 3.37Å; I795-F798 PolarHBondContact O-N 3.34Å; F798-A800 VanDerWaalsContact C-N 3.29Å; F798-A800 PolarHBondContact O-N 2.59Å; F798-Y801 PolarHBondContact O-N 2.77Å; F798-A802 HydrophobicContact CE1-CB 4.44Å; F798-A802 HydrophobicContact CZ-CB 4.46Å; F798-A802 WeakPolarHBondContact O-CB 3.48Å; F798-A802 PolarHBondContact O-N 2.96Å |
| 799 | Q | 91 | Very high | 90.9 | Very high | 76 Ų | 76 | 99.7 Ų | 99.7 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.7 | -38 | 175.9 | -75.7 | -176.9 | 21.5 | 0 | 0 | 112.2 | I795 I796 K797 R803 | I795-Q799 HydrophobicContact CG2-CG 4.28Å; I795-Q799 WeakPolarHBondContact O-CB 3.23Å; I795-Q799 VanDerWaalsContact O-CG 3.29Å; I795-Q799 WeakPolarHBondContact O-CG 3.46Å; I795-Q799 PolarHBondContact O-N 3.42Å; I796-Q799 PolarHBondContact O-N 2.83Å; K797-Q799 PolarHBondContact O-N 3.3Å; Q799-R803 VanDerWaalsContact O-CB 3.25Å; Q799-R803 WeakPolarHBondContact O-CB 3.18Å; Q799-R803 WeakPolarHBondContact O-CG 3.09Å; Q799-R803 PolarHBondContact O-N 2.92Å |
| 800 | A | 93 | Very high | 91.1 | Very high | 61 Ų | 61 | 97.4 Ų | 97.4 | 50% | 0.504 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.7 | -47 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | I796 K797 F798 G804 | I796-A800 PolarHBondContact O-N 2.83Å; K797-A800 WeakPolarHBondContact O-CB 3.18Å; K797-A800 PolarHBondContact O-N 3.39Å; F798-A800 VanDerWaalsContact C-N 3.29Å; F798-A800 PolarHBondContact O-N 2.59Å; A800-G804 PolarHBondContact O-N 2.95Å |
| 801 | Y | 94.5 | Very high | 91.4 | Very high | 178 Ų | 178 | 98.8 Ų | 98.8 | 70% | 0.698 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.6 | -45.5 | 175 | -74.2 | -67.1 | 0 | 0 | 0 | 112.4 | K797 F798 G804 Y805 | K797-Y801 WeakPolarHBondContact O-CD2 3Å; K797-Y801 PolarHBondContact O-N 2.78Å; K797-Y801 VanDerWaalsContact O-N 3.08Å; F798-Y801 PolarHBondContact O-N 2.77Å; Y801-G804 PolarHBondContact O-N 2.86Å; Y801-Y805 WeakPolarHBondContact O-CB 3.31Å; Y801-Y805 PolarHBondContact O-N 3.3Å |
| 802 | A | 93.2 | Very high | 91.5 | Very high | 31 Ų | 31 | 102 Ų | 102 | 26% | 0.256 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F798 G804 Y805 L806 | F798-A802 HydrophobicContact CE1-CB 4.44Å; F798-A802 HydrophobicContact CZ-CB 4.46Å; F798-A802 WeakPolarHBondContact O-CB 3.48Å; F798-A802 PolarHBondContact O-N 2.96Å; A802-G804 VanDerWaalsContact C-N 3.32Å; A802-G804 PolarHBondContact O-N 3.37Å; A802-Y805 PolarHBondContact O-N 3.49Å; A802-L806 WeakPolarHBondContact O-CB 2.9Å; A802-L806 WeakPolarHBondContact O-CG 3.4Å; A802-L806 PolarHBondContact O-N 2.92Å |
| 803 | R | 91.7 | Very high | 91.5 | Very high | 163 Ų | 163 | 103.9 Ų | 103.9 | 62% | 0.615 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60 | -42.6 | 172.8 | -73 | 172.4 | -173.8 | 153 | 11.2 | 111.1 | Q799 A807 | Q799-R803 VanDerWaalsContact O-CB 3.25Å; Q799-R803 WeakPolarHBondContact O-CB 3.18Å; Q799-R803 WeakPolarHBondContact O-CG 3.09Å; Q799-R803 PolarHBondContact O-N 2.92Å; R803-A807 WeakPolarHBondContact O-CB 3Å; R803-A807 PolarHBondContact O-N 3.01Å |
| 804 | G | 93.6 | Very high | 91.9 | Very high | 23 Ų | 23 | 107 Ų | 107 | 24% | 0.237 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A800 Y801 A802 R808 | A800-G804 PolarHBondContact O-N 2.95Å; Y801-G804 PolarHBondContact O-N 2.86Å; A802-G804 VanDerWaalsContact C-N 3.32Å; A802-G804 PolarHBondContact O-N 3.37Å; G804-R808 WeakPolarHBondContact O-CG 2.92Å; G804-R808 PolarHBondContact O-N 3.43Å |
| 805 | Y | 93.6 | Very high | 92.1 | Very high | 130 Ų | 130 | 107.2 Ų | 107.2 | 51% | 0.51 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -49.2 | 175.4 | 173.6 | -102.5 | 0 | 0 | 0 | 112 | Y801 A802 A807 R808 R809 | Y801-Y805 WeakPolarHBondContact O-CB 3.31Å; Y801-Y805 PolarHBondContact O-N 3.3Å; A802-Y805 PolarHBondContact O-N 3.49Å; Y805-A807 VanDerWaalsContact C-N 3.32Å; Y805-A807 PolarHBondContact O-N 2.96Å; Y805-R808 PolarHBondContact O-N 2.97Å; Y805-R809 PolarHBondContact O-N 2.83Å |
| 806 | L | 92.1 | Very high | 92 | Very high | 109 Ų | 109 | 108.9 Ų | 108.9 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.7 | -41.1 | 176.9 | -70.2 | 172 | 0 | 0 | 0 | 111.8 | A802 R809 A810 | A802-L806 WeakPolarHBondContact O-CB 2.9Å; A802-L806 WeakPolarHBondContact O-CG 3.4Å; A802-L806 PolarHBondContact O-N 2.92Å; L806-R809 PolarHBondContact O-N 2.86Å; L806-A810 VanDerWaalsContact O-CB 3.27Å; L806-A810 WeakPolarHBondContact O-CB 2.99Å; L806-A810 PolarHBondContact O-N 3.38Å |
| 807 | A | 91.5 | Very high | 92 | Very high | 62 Ų | 62 | 109.2 Ų | 109.2 | 51% | 0.512 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -38.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R803 Y805 K811 | R803-A807 WeakPolarHBondContact O-CB 3Å; R803-A807 PolarHBondContact O-N 3.01Å; Y805-A807 VanDerWaalsContact C-N 3.32Å; Y805-A807 PolarHBondContact O-N 2.96Å; A807-K811 VanDerWaalsContact O-CB 3.27Å; A807-K811 WeakPolarHBondContact O-CB 2.87Å; A807-K811 PolarHBondContact O-N 2.88Å |
| 808 | R | 93.4 | Very high | 92.1 | Very high | 156 Ų | 156 | 106.3 Ų | 106.3 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.8 | -48.2 | 173.8 | -76.7 | -174.8 | -66.6 | -97.6 | 5.1 | 111.8 | G804 Y805 A810 K811 E812 | G804-R808 WeakPolarHBondContact O-CG 2.92Å; G804-R808 PolarHBondContact O-N 3.43Å; Y805-R808 PolarHBondContact O-N 2.97Å; R808-A810 PolarHBondContact O-N 2.87Å; R808-K811 WeakPolarHBondContact O-CB 3.22Å; R808-K811 PolarHBondContact O-N 3.19Å; R808-E812 PolarHBondContact O-N 2.93Å |
| 809 | R | 91.4 | Very high | 91.9 | Very high | 137 Ų | 137 | 104.9 Ų | 104.9 | 52% | 0.517 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 177.6 | -170.9 | 175.3 | 179.6 | 178.1 | 1.9 | 112.4 | Y805 L806 E812 Q813 | Y805-R809 PolarHBondContact O-N 2.83Å; L806-R809 PolarHBondContact O-N 2.86Å; R809-E812 PolarHBondContact O-N 3.42Å; R809-Q813 PolarHBondContact O-N 3.13Å; R809-Q813 VanDerWaalsContact O-N 3.08Å |
| 810 | A | 90.9 | Very high | 92 | Very high | 54 Ų | 54 | 103.3 Ų | 103.3 | 45% | 0.446 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.1 | -36.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L806 R808 R814 | L806-A810 VanDerWaalsContact O-CB 3.27Å; L806-A810 WeakPolarHBondContact O-CB 2.99Å; L806-A810 PolarHBondContact O-N 3.38Å; R808-A810 PolarHBondContact O-N 2.87Å; A810-R814 WeakPolarHBondContact O-CB 3.2Å; A810-R814 PolarHBondContact O-N 3.33Å |
| 811 | K | 91.3 | Very high | 91.9 | Very high | 140 Ų | 140 | 103.7 Ų | 103.7 | 61% | 0.609 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 172.3 | 178.3 | -174.2 | 174.4 | -174 | 0 | 111.2 | A807 R808 R814 I815 | A807-K811 VanDerWaalsContact O-CB 3.27Å; A807-K811 WeakPolarHBondContact O-CB 2.87Å; A807-K811 PolarHBondContact O-N 2.88Å; R808-K811 WeakPolarHBondContact O-CB 3.22Å; R808-K811 PolarHBondContact O-N 3.19Å; K811-R814 CarbonylContact O-C 3.53Å; K811-R814 PolarHBondContact O-N 2.99Å; K811-I815 HydrophobicContact CG-CD1 3.97Å; K811-I815 VanDerWaalsContact O-CG1 3.3Å; K811-I815 WeakPolarHBondContact O-CG1 2.96Å; K811-I815 PolarHBondContact O-N 2.92Å |
| 812 | E | 90.1 | Very high | 91.9 | Very high | 114 Ų | 114 | 102 Ų | 102 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -51.9 | 178.2 | -177.9 | 176 | -156.5 | 0 | 0 | 112.1 | R808 R809 R814 I815 Q816 | R808-E812 PolarHBondContact O-N 2.93Å; R809-E812 PolarHBondContact O-N 3.42Å; E812-R814 PolarHBondContact O-N 3.09Å; E812-I815 WeakPolarHBondContact O-CB 3.2Å; E812-I815 PolarHBondContact O-N 3.09Å; E812-Q816 PolarHBondContact O-N 3.43Å |
| 813 | Q | 89.9 | Confident | 91.8 | Very high | 103 Ų | 103 | 105.6 Ų | 105.6 | 48% | 0.481 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.6 | -38.2 | 172.9 | -71.2 | -178.3 | -29.3 | 0 | 0 | 112 | R809 Q816 N817 | R809-Q813 PolarHBondContact O-N 3.13Å; R809-Q813 VanDerWaalsContact O-N 3.08Å; Q813-Q816 PolarHBondContact O-N 2.93Å; Q813-N817 WeakPolarHBondContact O-CB 2.98Å; Q813-N817 VanDerWaalsContact O-CG 3.24Å; Q813-N817 PolarHBondContact O-N 3.49Å; Q813-N817 PolarHBondContact O-ND2 2.92Å |
| 814 | R | 91.6 | Very high | 91.9 | Very high | 180 Ų | 180 | 102.8 Ų | 102.8 | 68% | 0.679 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.7 | -33.4 | 175.1 | -170.1 | 173.7 | -178.5 | 179.5 | 0.7 | 112.6 | A810 K811 E812 I818 | A810-R814 WeakPolarHBondContact O-CB 3.2Å; A810-R814 PolarHBondContact O-N 3.33Å; K811-R814 CarbonylContact O-C 3.53Å; K811-R814 PolarHBondContact O-N 2.99Å; E812-R814 PolarHBondContact O-N 3.09Å; R814-I818 HydrophobicContact CG-CD1 4Å; R814-I818 WeakPolarHBondContact O-CB 3.24Å; R814-I818 WeakPolarHBondContact O-CD1 3.15Å; R814-I818 WeakPolarHBondContact O-CG1 2.95Å; R814-I818 PolarHBondContact O-N 3.03Å |
| 815 | I | 92.5 | Very high | 91.9 | Very high | 76 Ų | 76 | 107.3 Ų | 107.3 | 39% | 0.39 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.1 | -46.5 | 173.7 | -72.9 | 163.4 | 0 | 0 | 0 | 110.4 | K811 E812 N817 I818 Q819 | K811-I815 HydrophobicContact CG-CD1 3.97Å; K811-I815 VanDerWaalsContact O-CG1 3.3Å; K811-I815 WeakPolarHBondContact O-CG1 2.96Å; K811-I815 PolarHBondContact O-N 2.92Å; E812-I815 WeakPolarHBondContact O-CB 3.2Å; E812-I815 PolarHBondContact O-N 3.09Å; I815-N817 PolarHBondContact O-N 3.36Å; I815-I818 PolarHBondContact O-N 3.29Å; I815-I818 VanDerWaalsContact O-N 3.16Å; I815-Q819 WeakPolarHBondContact O-CG 3.05Å; I815-Q819 PolarHBondContact O-N 3.35Å |
| 816 | Q | 89.7 | Confident | 91.9 | Very high | 107 Ų | 107 | 110.5 Ų | 110.5 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 174.3 | -67.5 | 172.7 | -8.5 | 0 | 0 | 111.1 | E812 Q813 I818 Q819 A820 | E812-Q816 PolarHBondContact O-N 3.43Å; Q813-Q816 PolarHBondContact O-N 2.93Å; Q816-I818 VanDerWaalsContact C-N 3.33Å; Q816-I818 PolarHBondContact O-N 3.22Å; Q816-Q819 PolarHBondContact O-N 3.06Å; Q816-A820 PolarHBondContact O-N 2.88Å |
| 817 | N | 91.9 | Very high | 92 | Very high | 106 Ų | 106 | 110.1 Ų | 110.1 | 57% | 0.567 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.9 | -34.3 | 176 | -72.5 | -17.2 | 0 | 0 | 0 | 113.3 | Q813 I815 S821 | Q813-N817 WeakPolarHBondContact O-CB 2.98Å; Q813-N817 VanDerWaalsContact O-CG 3.24Å; Q813-N817 PolarHBondContact O-N 3.49Å; Q813-N817 PolarHBondContact O-ND2 2.92Å; I815-N817 PolarHBondContact O-N 3.36Å; N817-S821 VanDerWaalsContact O-CB 3.23Å; N817-S821 WeakPolarHBondContact O-CB 2.95Å; N817-S821 PolarHBondContact O-N 2.88Å; N817-S821 PolarHBondContact O-OG 3.35Å |
| 818 | I | 93 | Very high | 92 | Very high | 80 Ų | 80 | 110.3 Ų | 110.3 | 41% | 0.41 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71 | -39.2 | 174.3 | -74.5 | 164.9 | 0 | 0 | 0 | 111 | R814 I815 Q816 S821 K822 | R814-I818 HydrophobicContact CG-CD1 4Å; R814-I818 WeakPolarHBondContact O-CB 3.24Å; R814-I818 WeakPolarHBondContact O-CD1 3.15Å; R814-I818 WeakPolarHBondContact O-CG1 2.95Å; R814-I818 PolarHBondContact O-N 3.03Å; I815-I818 PolarHBondContact O-N 3.29Å; I815-I818 VanDerWaalsContact O-N 3.16Å; Q816-I818 VanDerWaalsContact C-N 3.33Å; Q816-I818 PolarHBondContact O-N 3.22Å; I818-S821 PolarHBondContact O-N 3.44Å; I818-K822 HydrophobicContact CG2-CD 4.45Å; I818-K822 WeakPolarHBondContact O-CB 2.92Å; I818-K822 WeakPolarHBondContact O-CG 3.2Å; I818-K822 PolarHBondContact O-N 2.91Å |
| 819 | Q | 90.6 | Very high | 92 | Very high | 116 Ų | 116 | 106.3 Ų | 106.3 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 174.5 | -71.9 | 173.4 | -9.9 | 0 | 0 | 110.9 | I815 Q816 S821 K822 I823 | I815-Q819 WeakPolarHBondContact O-CG 3.05Å; I815-Q819 PolarHBondContact O-N 3.35Å; Q816-Q819 PolarHBondContact O-N 3.06Å; Q819-S821 PolarHBondContact O-N 3.16Å; Q819-K822 PolarHBondContact O-N 2.88Å; Q819-I823 WeakPolarHBondContact O-CG1 3.45Å; Q819-I823 PolarHBondContact O-N 3.05Å; Q819-I823 VanDerWaalsContact O-N 3.08Å |
| 820 | A | 91.5 | Very high | 92 | Very high | 44 Ų | 44 | 101.8 Ų | 101.8 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q816 K822 I823 I824 | Q816-A820 PolarHBondContact O-N 2.88Å; A820-K822 VanDerWaalsContact C-N 3.32Å; A820-K822 PolarHBondContact O-N 2.99Å; A820-I823 PolarHBondContact O-N 3.49Å; A820-I823 VanDerWaalsContact O-N 3.16Å; A820-I824 WeakPolarHBondContact O-CG1 3.4Å; A820-I824 PolarHBondContact O-N 2.93Å |
| 821 | S | 92.4 | Very high | 91.9 | Very high | 69 Ų | 69 | 105.7 Ų | 105.7 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57 | -41.1 | 175 | -63.7 | 0 | 0 | 0 | 0 | 112.7 | N817 I818 Q819 I824 Q825 | N817-S821 VanDerWaalsContact O-CB 3.23Å; N817-S821 WeakPolarHBondContact O-CB 2.95Å; N817-S821 PolarHBondContact O-N 2.88Å; N817-S821 PolarHBondContact O-OG 3.35Å; I818-S821 PolarHBondContact O-N 3.44Å; Q819-S821 PolarHBondContact O-N 3.16Å; S821-I824 PolarHBondContact O-N 3.46Å; S821-Q825 VanDerWaalsContact O-CB 3.23Å; S821-Q825 WeakPolarHBondContact O-CB 3.31Å; S821-Q825 PolarHBondContact O-N 3.44Å |
| 822 | K | 93.1 | Very high | 91.9 | Very high | 142 Ų | 142 | 102.8 Ų | 102.8 | 62% | 0.617 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.8 | -37.9 | 176.7 | -78.5 | -179.7 | 176.4 | -172.5 | 0 | 112.7 | I818 Q819 A820 R826 | I818-K822 HydrophobicContact CG2-CD 4.45Å; I818-K822 WeakPolarHBondContact O-CB 2.92Å; I818-K822 WeakPolarHBondContact O-CG 3.2Å; I818-K822 PolarHBondContact O-N 2.91Å; Q819-K822 PolarHBondContact O-N 2.88Å; A820-K822 VanDerWaalsContact C-N 3.32Å; A820-K822 PolarHBondContact O-N 2.99Å; K822-R826 WeakPolarHBondContact O-CB 3.45Å; K822-R826 PolarHBondContact O-N 2.98Å |
| 823 | I | 92.5 | Very high | 91.8 | Very high | 107 Ų | 107 | 105.3 Ų | 105.3 | 55% | 0.549 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.5 | -47.5 | 175.5 | -65.4 | 165.1 | 0 | 0 | 0 | 109.9 | Q819 A820 Q825 R826 N827 | Q819-I823 WeakPolarHBondContact O-CG1 3.45Å; Q819-I823 PolarHBondContact O-N 3.05Å; Q819-I823 VanDerWaalsContact O-N 3.08Å; A820-I823 PolarHBondContact O-N 3.49Å; A820-I823 VanDerWaalsContact O-N 3.16Å; I823-Q825 PolarHBondContact O-N 3.08Å; I823-R826 PolarHBondContact O-N 3.22Å; I823-N827 VanDerWaalsContact O-CG 3.31Å; I823-N827 PolarHBondContact O-N 2.91Å |
| 824 | I | 93.4 | Very high | 91.8 | Very high | 104 Ų | 104 | 103.3 Ų | 103.3 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 176.8 | -66.7 | 164.7 | 0 | 0 | 0 | 110.6 | A820 S821 N827 C828 | A820-I824 WeakPolarHBondContact O-CG1 3.4Å; A820-I824 PolarHBondContact O-N 2.93Å; S821-I824 PolarHBondContact O-N 3.46Å; I824-N827 PolarHBondContact O-N 3.41Å; I824-C828 PolarHBondContact O-N 2.87Å; I824-C828 PolarHBondContact O-SG 2.91Å; I824-C828 VanDerWaalsContact O-SG 3.36Å |
| 825 | Q | 93.2 | Very high | 91.6 | Very high | 117 Ų | 117 | 100.4 Ų | 100.4 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.4 | -48.5 | 177.1 | -177.1 | 178.8 | 0.8 | 0 | 0 | 111.7 | S821 I823 N827 C828 D829 | S821-Q825 VanDerWaalsContact O-CB 3.23Å; S821-Q825 WeakPolarHBondContact O-CB 3.31Å; S821-Q825 PolarHBondContact O-N 3.44Å; I823-Q825 PolarHBondContact O-N 3.08Å; Q825-N827 VanDerWaalsContact C-N 3.25Å; Q825-N827 PolarHBondContact O-N 3.19Å; Q825-C828 WeakPolarHBondContact O-CB 3.44Å; Q825-C828 PolarHBondContact O-N 3.37Å; Q825-C828 VanDerWaalsContact O-N 3.13Å; Q825-D829 PolarHBondContact O-N 2.66Å |
| 826 | R | 93.8 | Very high | 91.3 | Very high | 197 Ų | 197 | 101.6 Ų | 101.6 | 74% | 0.743 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -57.7 | -39.2 | 176.8 | -180 | 177.6 | 175.6 | 176.4 | -1.3 | 111.9 | K822 I823 A830 | K822-R826 WeakPolarHBondContact O-CB 3.45Å; K822-R826 PolarHBondContact O-N 2.98Å; I823-R826 PolarHBondContact O-N 3.22Å; R826-A830 WeakPolarHBondContact O-CB 3.02Å; R826-A830 PolarHBondContact O-N 3.11Å |
| 827 | N | 94 | Very high | 91.3 | Very high | 101 Ų | 101 | 103 Ų | 103 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.8 | -40.4 | 176.9 | -70.5 | -13.2 | 0 | 0 | 0 | 111.9 | I823 I824 Q825 A830 Y831 | I823-N827 VanDerWaalsContact O-CG 3.31Å; I823-N827 PolarHBondContact O-N 2.91Å; I824-N827 PolarHBondContact O-N 3.41Å; Q825-N827 VanDerWaalsContact C-N 3.25Å; Q825-N827 PolarHBondContact O-N 3.19Å; N827-A830 PolarHBondContact O-N 3.08Å; N827-Y831 WeakPolarHBondContact O-CB 3.41Å; N827-Y831 PolarHBondContact O-N 2.95Å |
| 828 | C | 92.7 | Very high | 91.1 | Very high | 66 Ų | 66 | 102.4 Ų | 102.4 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 172.5 | -72 | 0 | 0 | 0 | 0 | 112 | I824 Q825 A830 Y831 L832 | I824-C828 PolarHBondContact O-N 2.87Å; I824-C828 PolarHBondContact O-SG 2.91Å; I824-C828 VanDerWaalsContact O-SG 3.36Å; Q825-C828 WeakPolarHBondContact O-CB 3.44Å; Q825-C828 PolarHBondContact O-N 3.37Å; Q825-C828 VanDerWaalsContact O-N 3.13Å; C828-A830 PolarHBondContact O-N 2.84Å; C828-Y831 PolarHBondContact O-N 3.4Å; C828-L832 WeakPolarHBondContact O-CB 3.28Å; C828-L832 VanDerWaalsContact O-CG 3.27Å; C828-L832 WeakPolarHBondContact O-CG 3.12Å; C828-L832 PolarHBondContact O-N 3.16Å |
| 829 | D | 92.3 | Very high | 90.9 | Very high | 72 Ų | 72 | 106.6 Ų | 106.6 | 39% | 0.385 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 177.8 | -69.3 | -26.7 | 0 | 0 | 0 | 111.9 | Q825 L832 K833 | Q825-D829 PolarHBondContact O-N 2.66Å; D829-L832 PolarHBondContact O-N 2.7Å; D829-K833 WeakPolarHBondContact O-CG 3.42Å; D829-K833 PolarHBondContact O-N 2.99Å; D829-K833 VanDerWaalsContact O-N 3.12Å |
| 830 | A | 90.8 | Very high | 90.8 | Very high | 42 Ų | 42 | 104.9 Ų | 104.9 | 35% | 0.347 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R826 N827 C828 K833 L834 | R826-A830 WeakPolarHBondContact O-CB 3.02Å; R826-A830 PolarHBondContact O-N 3.11Å; N827-A830 PolarHBondContact O-N 3.08Å; C828-A830 PolarHBondContact O-N 2.84Å; A830-K833 PolarHBondContact O-N 3.27Å; A830-L834 WeakPolarHBondContact O-CB 3.42Å; A830-L834 WeakPolarHBondContact O-CG 3.38Å; A830-L834 PolarHBondContact O-N 2.86Å |
| 831 | Y | 90.5 | Very high | 90.5 | Very high | 136 Ų | 136 | 109.8 Ų | 109.8 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 175.9 | 176.2 | -109.4 | 0 | 0 | 0 | 112.7 | N827 C828 K833 L834 R835 | N827-Y831 WeakPolarHBondContact O-CB 3.41Å; N827-Y831 PolarHBondContact O-N 2.95Å; C828-Y831 PolarHBondContact O-N 3.4Å; Y831-K833 VanDerWaalsContact C-N 3.3Å; Y831-K833 PolarHBondContact O-N 3.32Å; Y831-L834 PolarHBondContact O-N 2.67Å; Y831-R835 HydrophobicContact CE2-CB 4.39Å; Y831-R835 WeakPolarHBondContact O-CB 3.31Å; Y831-R835 WeakPolarHBondContact O-CG 3.47Å; Y831-R835 PolarHBondContact O-N 2.88Å |
| 832 | L | 90 | Very high | 90.3 | Very high | 80 Ų | 80 | 110.9 Ų | 110.9 | 42% | 0.419 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -34.4 | 176.8 | -73.9 | 172.6 | 0 | 0 | 0 | 112.4 | C828 D829 R835 | C828-L832 WeakPolarHBondContact O-CB 3.28Å; C828-L832 VanDerWaalsContact O-CG 3.27Å; C828-L832 WeakPolarHBondContact O-CG 3.12Å; C828-L832 PolarHBondContact O-N 3.16Å; D829-L832 PolarHBondContact O-N 2.7Å; L832-R835 VanDerWaalsContact CD2-CZ 3.49Å |
| 833 | K | 88.9 | Confident | 90 | Very high | 167 Ų | 167 | 109 Ų | 109 | 73% | 0.726 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.5 | -49.3 | 170.6 | -69.7 | 171 | -176.6 | 180 | 0 | 111.7 | D829 A830 Y831 | D829-K833 WeakPolarHBondContact O-CG 3.42Å; D829-K833 PolarHBondContact O-N 2.99Å; D829-K833 VanDerWaalsContact O-N 3.12Å; A830-K833 PolarHBondContact O-N 3.27Å; Y831-K833 VanDerWaalsContact C-N 3.3Å; Y831-K833 PolarHBondContact O-N 3.32Å |
| 834 | L | 89.4 | Confident | 89.7 | Confident | 60 Ų | 60 | 107.1 Ų | 107.1 | 31% | 0.314 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.8 | -36.8 | -173.2 | -73.3 | 168.9 | 0 | 0 | 0 | 114.1 | A830 Y831 N836 W837 W840 | A830-L834 WeakPolarHBondContact O-CB 3.42Å; A830-L834 WeakPolarHBondContact O-CG 3.38Å; A830-L834 PolarHBondContact O-N 2.86Å; Y831-L834 PolarHBondContact O-N 2.67Å; L834-N836 PolarHBondContact O-N 2.79Å; L834-W837 HydrophobicContact CD2-CE3 3.9Å; L834-W837 HydrophobicContact CD2-CZ3 4.33Å; L834-W837 WeakPolarHBondContact O-CB 3.37Å; L834-W837 PolarHBondContact O-N 2.89Å; L834-W840 HydrophobicContact CB-CD2 4.21Å; L834-W840 HydrophobicContact CB-CG 4.37Å; L834-W840 HydrophobicContact CD1-CZ3 4.39Å; L834-W840 HydrophobicContact CD2-CE3 4.39Å; L834-W840 VanDerWaalsContact O-CB 3.26Å; L834-W840 WeakPolarHBondContact O-CB 3.42Å |
| 835 | R | 87.3 | Confident | 89.4 | Confident | 119 Ų | 119 | 110 Ų | 110 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -24.7 | -175.2 | 70.4 | -179.8 | -174 | 161.8 | 2.7 | 114.8 | Y831 L832 | Y831-R835 HydrophobicContact CE2-CB 4.39Å; Y831-R835 WeakPolarHBondContact O-CB 3.31Å; Y831-R835 WeakPolarHBondContact O-CG 3.47Å; Y831-R835 PolarHBondContact O-N 2.88Å; L832-R835 VanDerWaalsContact CD2-CZ 3.49Å |
| 836 | N | 85.7 | Confident | 89.1 | Confident | 101 Ų | 101 | 107.7 Ų | 107.7 | 54% | 0.54 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -11.3 | 179.7 | -75.2 | -11.9 | 0 | 0 | 0 | 113.6 | L834 | L834-N836 PolarHBondContact O-N 2.79Š|
| 837 | W | 89.9 | Confident | 88.7 | Confident | 136 Ų | 136 | 106.2 Ų | 106.2 | 52% | 0.515 | 50% | 0.496 | S | S | . | . | trans | -72.9 | 127.3 | -177.8 | -169.2 | 40.6 | 0 | 0 | 0 | 110.7 | L834 W839 W840 R841 | L834-W837 HydrophobicContact CD2-CE3 3.9Å; L834-W837 HydrophobicContact CD2-CZ3 4.33Å; L834-W837 WeakPolarHBondContact O-CB 3.37Å; L834-W837 PolarHBondContact O-N 2.89Å; W837-W839 VanDerWaalsContact C-N 3.29Å; W837-W839 HydrophobicContact CD2-CB 3.91Å; W837-W839 AromaticContact CE2-CD1 3.83Å; W837-W839 HydrophobicContact CE3-CB 4.05Å; W837-W839 HydrophobicContact CH2-CB 4.07Å; W837-W839 HydrophobicContact CZ2-CB 3.93Å; W837-W839 AromaticContact CZ2-CD1 3.86Å; W837-W839 HydrophobicContact CZ2-CG 4.15Å; W837-W839 HydrophobicContact CZ3-CB 4.13Å; W837-W839 AromaticContact NE1-CD1 3.83Å; W837-W839 PolarHBondContact O-N 3.03Å; W837-W840 HydrophobicContact CB-CB 4.21Å; W837-W840 HydrophobicContact CE3-CB 4.31Å; W837-W840 WeakPolarHBondContact O-CB 3.27Å; W837-W840 PolarHBondContact O-N 2.96Å; W837-R841 PolarHBondContact O-N 3.38Å | ||
| 838 | P | 88.1 | Confident | 88.1 | Confident | 94 Ų | 94 | 104.6 Ų | 104.6 | 61% | 0.61 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -57.9 | -39.2 | -176.9 | -28.6 | 36.6 | 0 | 0 | 0 | 113.7 | W840 R841 L842 | P838-W840 VanDerWaalsContact C-N 3.29Å; P838-W840 PolarHBondContact O-N 2.92Å; P838-R841 WeakPolarHBondContact O-CB 3.31Å; P838-R841 PolarHBondContact O-N 2.74Å; P838-R841 VanDerWaalsContact O-N 3.13Å; P838-L842 PolarHBondContact O-N 2.61Å; P838-L842 VanDerWaalsContact O-N 3.1Å |
| 839 | W | 89.5 | Confident | 87.7 | Confident | 168 Ų | 168 | 108 Ų | 108 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62 | -34.1 | 175.8 | -73 | 106.2 | 0 | 0 | 0 | 113 | W837 R841 L842 F843 | W837-W839 VanDerWaalsContact C-N 3.29Å; W837-W839 HydrophobicContact CD2-CB 3.91Å; W837-W839 AromaticContact CE2-CD1 3.83Å; W837-W839 HydrophobicContact CE3-CB 4.05Å; W837-W839 HydrophobicContact CH2-CB 4.07Å; W837-W839 HydrophobicContact CZ2-CB 3.93Å; W837-W839 AromaticContact CZ2-CD1 3.86Å; W837-W839 HydrophobicContact CZ2-CG 4.15Å; W837-W839 HydrophobicContact CZ3-CB 4.13Å; W837-W839 AromaticContact NE1-CD1 3.83Å; W837-W839 PolarHBondContact O-N 3.03Å; W839-R841 VanDerWaalsContact C-N 3.34Å; W839-R841 PolarHBondContact O-N 2.9Å; W839-L842 HydrophobicContact CE3-CD2 4.05Å; W839-L842 HydrophobicContact CZ3-CD2 3.92Å; W839-L842 PolarHBondContact O-N 2.87Å; W839-F843 VanDerWaalsContact O-CB 3.22Å; W839-F843 WeakPolarHBondContact O-CB 3.25Å; W839-F843 PolarHBondContact O-N 2.92Å |
| 840 | W | 87.9 | Confident | 87.3 | Confident | 81 Ų | 81 | 110.8 Ų | 110.8 | 31% | 0.307 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -38.7 | 174.7 | -169.6 | -105.8 | 0 | 0 | 0 | 111.8 | L834 W837 P838 L842 F843 T844 | L834-W840 HydrophobicContact CB-CD2 4.21Å; L834-W840 HydrophobicContact CB-CG 4.37Å; L834-W840 HydrophobicContact CD1-CZ3 4.39Å; L834-W840 HydrophobicContact CD2-CE3 4.39Å; L834-W840 VanDerWaalsContact O-CB 3.26Å; L834-W840 WeakPolarHBondContact O-CB 3.42Å; W837-W840 HydrophobicContact CB-CB 4.21Å; W837-W840 HydrophobicContact CE3-CB 4.31Å; W837-W840 WeakPolarHBondContact O-CB 3.27Å; W837-W840 PolarHBondContact O-N 2.96Å; P838-W840 VanDerWaalsContact C-N 3.29Å; P838-W840 PolarHBondContact O-N 2.92Å; W840-L842 VanDerWaalsContact C-N 3.35Å; W840-F843 HydrophobicContact CE3-CD1 4.38Å; W840-F843 HydrophobicContact CZ3-CD1 4.3Å; W840-T844 HydrophobicContact CD2-CG2 4.43Å; W840-T844 HydrophobicContact CZ2-CG2 4.45Å; W840-T844 WeakPolarHBondContact O-CB 3.37Å; W840-T844 WeakPolarHBondContact O-CG2 3.28Å; W840-T844 PolarHBondContact O-N 2.9Å; W840-T844 PolarHBondContact O-OG1 2.89Å |
| 841 | R | 84.7 | Confident | 86.9 | Confident | 147 Ų | 147 | 111.6 Ų | 111.6 | 56% | 0.555 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.9 | -28.9 | 176.4 | -61.5 | -178.4 | -179.4 | 179.8 | 0.2 | 113.2 | W837 P838 W839 T844 K845 | W837-R841 PolarHBondContact O-N 3.38Å; P838-R841 WeakPolarHBondContact O-CB 3.31Å; P838-R841 PolarHBondContact O-N 2.74Å; P838-R841 VanDerWaalsContact O-N 3.13Å; W839-R841 VanDerWaalsContact C-N 3.34Å; W839-R841 PolarHBondContact O-N 2.9Å; R841-T844 PolarHBondContact O-OG1 2.94Å; R841-K845 WeakPolarHBondContact O-CG 3.4Å |
| 842 | L | 88.2 | Confident | 86.5 | Confident | 91 Ų | 91 | 109.8 Ų | 109.8 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -76.5 | -50.2 | 171.7 | -179.5 | 59.9 | 0 | 0 | 0 | 110.9 | P838 W839 W840 T844 K845 V846 | P838-L842 PolarHBondContact O-N 2.61Å; P838-L842 VanDerWaalsContact O-N 3.1Å; W839-L842 HydrophobicContact CE3-CD2 4.05Å; W839-L842 HydrophobicContact CZ3-CD2 3.92Å; W839-L842 PolarHBondContact O-N 2.87Å; W840-L842 VanDerWaalsContact C-N 3.35Å; L842-T844 VanDerWaalsContact C-N 3.34Å; L842-T844 PolarHBondContact O-N 3.46Å; L842-K845 WeakPolarHBondContact O-CB 3.06Å; L842-K845 PolarHBondContact O-N 2.75Å; L842-V846 HydrophobicContact CD1-CG2 4.05Å; L842-V846 HydrophobicContact CG-CG2 4.39Å; L842-V846 WeakPolarHBondContact O-CG2 3.2Å; L842-V846 PolarHBondContact O-N 2.75Å |
| 843 | F | 87.1 | Confident | 86 | Confident | 102 Ų | 102 | 110.2 Ų | 110.2 | 45% | 0.447 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58 | -42.7 | -179.7 | 179.7 | -109.5 | 0 | 0 | 0 | 112.5 | W839 W840 K845 V846 R847 | W839-F843 VanDerWaalsContact O-CB 3.22Å; W839-F843 WeakPolarHBondContact O-CB 3.25Å; W839-F843 PolarHBondContact O-N 2.92Å; W840-F843 HydrophobicContact CE3-CD1 4.38Å; W840-F843 HydrophobicContact CZ3-CD1 4.3Å; F843-K845 PolarHBondContact O-N 2.74Å; F843-V846 PolarHBondContact O-N 3.36Å; F843-R847 HydrophobicContact CZ-CB 4.45Å; F843-R847 HydrophobicContact CZ-CG 4.45Å; F843-R847 VanDerWaalsContact O-CB 3.24Å; F843-R847 WeakPolarHBondContact O-CB 3.5Å; F843-R847 PolarHBondContact O-N 2.82Å |
| 844 | T | 86.6 | Confident | 85.6 | Confident | 68 Ų | 68 | 110.3 Ų | 110.3 | 42% | 0.417 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.8 | -19.7 | 176.3 | 48.3 | 0 | 0 | 0 | 0 | 114.1 | W840 R841 L842 P848 | W840-T844 HydrophobicContact CD2-CG2 4.43Å; W840-T844 HydrophobicContact CZ2-CG2 4.45Å; W840-T844 WeakPolarHBondContact O-CB 3.37Å; W840-T844 WeakPolarHBondContact O-CG2 3.28Å; W840-T844 PolarHBondContact O-N 2.9Å; W840-T844 PolarHBondContact O-OG1 2.89Å; R841-T844 PolarHBondContact O-OG1 2.94Å; L842-T844 VanDerWaalsContact C-N 3.34Å; L842-T844 PolarHBondContact O-N 3.46Å; T844-P848 VanDerWaalsContact O-CD 3.3Å; T844-P848 WeakPolarHBondContact O-CD 3Å |
| 845 | K | 86.8 | Confident | 85.4 | Confident | 165 Ų | 165 | 112.6 Ų | 112.6 | 72% | 0.717 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -85.4 | -34 | 169.8 | -73.7 | -176.8 | 175.4 | -169.6 | 0 | 113.5 | R841 L842 F843 | R841-K845 WeakPolarHBondContact O-CG 3.4Å; L842-K845 WeakPolarHBondContact O-CB 3.06Å; L842-K845 PolarHBondContact O-N 2.75Å; F843-K845 PolarHBondContact O-N 2.74Å |
| 846 | V | 88 | Confident | 85.3 | Confident | 68 Ų | 68 | 112.7 Ų | 112.7 | 41% | 0.412 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -82.9 | -41.6 | -177.8 | 175.8 | 0 | 0 | 0 | 0 | 112 | L842 F843 P848 L849 | L842-V846 HydrophobicContact CD1-CG2 4.05Å; L842-V846 HydrophobicContact CG-CG2 4.39Å; L842-V846 WeakPolarHBondContact O-CG2 3.2Å; L842-V846 PolarHBondContact O-N 2.75Å; F843-V846 PolarHBondContact O-N 3.36Å; V846-P848 VanDerWaalsContact C-CD 3.43Å; V846-P848 VanDerWaalsContact C-N 3.34Å; V846-L849 VanDerWaalsContact O-CB 3.32Å; V846-L849 WeakPolarHBondContact O-CB 3.34Å; V846-L849 PolarHBondContact O-N 3.47Å |
| 847 | R | 84.1 | Confident | 85.3 | Confident | 167 Ų | 167 | 113.1 Ų | 113.1 | 63% | 0.63 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -51.9 | -39.7 | -176.8 | -177.2 | -179.2 | 178 | -162.6 | -0.7 | 114.3 | F843 L849 L850 | F843-R847 HydrophobicContact CZ-CB 4.45Å; F843-R847 HydrophobicContact CZ-CG 4.45Å; F843-R847 VanDerWaalsContact O-CB 3.24Å; F843-R847 WeakPolarHBondContact O-CB 3.5Å; F843-R847 PolarHBondContact O-N 2.82Å; R847-L849 PolarHBondContact O-N 3.39Å; R847-L850 PolarHBondContact O-N 3.36Å |
| 848 | P | 82 | Confident | 85.2 | Confident | 67 Ų | 67 | 111.2 Ų | 111.2 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -64.4 | -16.7 | 177.3 | -24 | 35.9 | 0 | 0 | 0 | 115.5 | T844 V846 T851 | T844-P848 VanDerWaalsContact O-CD 3.3Å; T844-P848 WeakPolarHBondContact O-CD 3Å; V846-P848 VanDerWaalsContact C-CD 3.43Å; V846-P848 VanDerWaalsContact C-N 3.34Å; P848-T851 WeakPolarHBondContact O-CG2 3.46Å |
| 849 | L | 84 | Confident | 85.2 | Confident | 137 Ų | 137 | 110.4 Ų | 110.4 | 72% | 0.717 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -80.2 | -18.2 | 178.1 | -54.8 | 175 | 0 | 0 | 0 | 112.6 | V846 R847 T851 | V846-L849 VanDerWaalsContact O-CB 3.32Å; V846-L849 WeakPolarHBondContact O-CB 3.34Å; V846-L849 PolarHBondContact O-N 3.47Å; R847-L849 PolarHBondContact O-N 3.39Å; L849-T851 PolarHBondContact O-N 2.83Å |
| 850 | L | 83.2 | Confident | 85.2 | Confident | 130 Ų | 130 | 105 Ų | 105 | 68% | 0.681 | 53% | 0.525 | S | S | * | . | trans | -91.5 | 83.4 | 176.1 | -72.6 | 158.4 | 0 | 0 | 0 | 108.6 | R847 | R847-L850 PolarHBondContact O-N 3.36Š| ||
| 851 | T | 82.4 | Confident | 85.3 | Confident | 60 Ų | 60 | 105 Ų | 105 | 37% | 0.368 | 53% | 0.534 | S | S | . | . | trans | -88.6 | -22.1 | -167.7 | 60.6 | 0 | 0 | 0 | 0 | 115.1 | P848 L849 T853 R854 Q855 | P848-T851 WeakPolarHBondContact O-CG2 3.46Å; L849-T851 PolarHBondContact O-N 2.83Å; T851-T853 PolarHBondContact O-N 2.98Å; T851-R854 CarbonylContact O-C 3.57Å; T851-R854 WeakPolarHBondContact O-CA 3.37Å; T851-R854 WeakPolarHBondContact O-CB 3.03Å; T851-R854 PolarHBondContact O-N 2.63Å; T851-R854 VanDerWaalsContact O-N 3.09Å; T851-Q855 WeakPolarHBondContact O-CG 2.92Å; T851-Q855 PolarHBondContact O-N 2.78Å; T851-Q855 PolarHBondContact O-OE1 3.33Å; T851-Q855 PolarHBondContact OG1-OE1 2.89Å | ||
| 852 | V | 82 | Confident | 85.6 | Confident | 97 Ų | 97 | 102.4 Ų | 102.4 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -53.2 | -63.1 | -165.6 | -175.5 | 0 | 0 | 0 | 0 | 113 | R854 Q855 E856 | V852-R854 VanDerWaalsContact C-N 3.25Å; V852-R854 PolarHBondContact O-N 2.58Å; V852-Q855 WeakPolarHBondContact O-CA 3.47Å; V852-Q855 WeakPolarHBondContact O-CB 3.46Å; V852-Q855 PolarHBondContact O-N 2.83Å; V852-E856 PolarHBondContact O-N 3.38Å |
| 853 | T | 80.5 | Confident | 85.7 | Confident | 90 Ų | 90 | 104.1 Ų | 104.1 | 55% | 0.552 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63 | -32.3 | 179.3 | 51 | 0 | 0 | 0 | 0 | 112.7 | T851 Q855 E856 D857 | T851-T853 PolarHBondContact O-N 2.98Å; T853-Q855 VanDerWaalsContact C-N 3.29Å; T853-Q855 PolarHBondContact O-N 2.9Å; T853-E856 WeakPolarHBondContact CA-OE2 3.02Å; T853-E856 PolarHBondContact O-N 3.49Å; T853-D857 WeakPolarHBondContact O-CB 3.21Å; T853-D857 VanDerWaalsContact O-CG 3.25Å; T853-D857 PolarHBondContact O-N 3.19Å |
| 854 | R | 80 | Confident | 85.8 | Confident | 169 Ų | 169 | 102.4 Ų | 102.4 | 64% | 0.638 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.8 | -28.5 | 173.7 | -176.7 | 177.7 | 179.4 | -164.7 | -1.3 | 112.4 | T851 V852 L858 | T851-R854 CarbonylContact O-C 3.57Å; T851-R854 WeakPolarHBondContact O-CA 3.37Å; T851-R854 WeakPolarHBondContact O-CB 3.03Å; T851-R854 PolarHBondContact O-N 2.63Å; T851-R854 VanDerWaalsContact O-N 3.09Å; V852-R854 VanDerWaalsContact C-N 3.25Å; V852-R854 PolarHBondContact O-N 2.58Å; R854-L858 WeakPolarHBondContact O-CB 3.46Å; R854-L858 PolarHBondContact O-N 2.73Å; R854-L858 VanDerWaalsContact O-N 3.08Å |
| 855 | Q | 85 | Confident | 86 | Confident | 108 Ų | 108 | 103 Ų | 103 | 51% | 0.505 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -78.3 | -38 | 174.6 | -72.7 | 171.1 | -74.1 | 0 | 0 | 110.5 | T851 V852 T853 L858 V859 | T851-Q855 WeakPolarHBondContact O-CG 2.92Å; T851-Q855 PolarHBondContact O-N 2.78Å; T851-Q855 PolarHBondContact O-OE1 3.33Å; T851-Q855 PolarHBondContact OG1-OE1 2.89Å; V852-Q855 WeakPolarHBondContact O-CA 3.47Å; V852-Q855 WeakPolarHBondContact O-CB 3.46Å; V852-Q855 PolarHBondContact O-N 2.83Å; T853-Q855 VanDerWaalsContact C-N 3.29Å; T853-Q855 PolarHBondContact O-N 2.9Å; Q855-L858 PolarHBondContact O-N 3.5Å; Q855-V859 WeakPolarHBondContact O-CB 3.41Å; Q855-V859 VanDerWaalsContact O-CG2 3.24Å; Q855-V859 WeakPolarHBondContact O-CG2 2.96Å; Q855-V859 PolarHBondContact O-N 2.87Å |
| 856 | E | 86.1 | Confident | 86.1 | Confident | 120 Ų | 120 | 99.2 Ų | 99.2 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -50.8 | 171.9 | -66.3 | 168.5 | 149.2 | 0 | 0 | 111.4 | V852 T853 L858 V859 A860 | V852-E856 PolarHBondContact O-N 3.38Å; T853-E856 WeakPolarHBondContact CA-OE2 3.02Å; T853-E856 PolarHBondContact O-N 3.49Å; E856-L858 VanDerWaalsContact C-N 3.29Å; E856-L858 PolarHBondContact O-N 2.9Å; E856-V859 PolarHBondContact O-N 2.98Å; E856-A860 PolarHBondContact O-N 3.23Å |
| 857 | D | 85.6 | Confident | 86.3 | Confident | 110 Ų | 110 | 101.3 Ų | 101.3 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -54.9 | -44.5 | 173 | -73.8 | -27.1 | 0 | 0 | 0 | 111.5 | T853 V861 | T853-D857 WeakPolarHBondContact O-CB 3.21Å; T853-D857 VanDerWaalsContact O-CG 3.25Å; T853-D857 PolarHBondContact O-N 3.19Å; D857-V861 WeakPolarHBondContact O-CB 3.29Å; D857-V861 VanDerWaalsContact O-CG2 3.27Å; D857-V861 WeakPolarHBondContact O-CG2 3.37Å; D857-V861 PolarHBondContact O-N 2.76Å |
| 858 | L | 86.6 | Confident | 86.6 | Confident | 96 Ų | 96 | 98.3 Ų | 98.3 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | -179.9 | -179.3 | 64.8 | 0 | 0 | 0 | 112 | R854 Q855 E856 K862 | R854-L858 WeakPolarHBondContact O-CB 3.46Å; R854-L858 PolarHBondContact O-N 2.73Å; R854-L858 VanDerWaalsContact O-N 3.08Å; Q855-L858 PolarHBondContact O-N 3.5Å; E856-L858 VanDerWaalsContact C-N 3.29Å; E856-L858 PolarHBondContact O-N 2.9Å; L858-K862 HydrophobicContact CD1-CG 4.19Å; L858-K862 HydrophobicContact CG-CG 4.44Å; L858-K862 VanDerWaalsContact O-CB 3.25Å; L858-K862 WeakPolarHBondContact O-CB 3.41Å; L858-K862 WeakPolarHBondContact O-CG 3.44Å; L858-K862 PolarHBondContact O-N 3.33Å |
| 859 | V | 88.7 | Confident | 87 | Confident | 77 Ų | 77 | 99.5 Ų | 99.5 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -49.6 | 174.9 | 165.9 | 0 | 0 | 0 | 0 | 109.7 | Q855 E856 V861 K862 E863 | Q855-V859 WeakPolarHBondContact O-CB 3.41Å; Q855-V859 VanDerWaalsContact O-CG2 3.24Å; Q855-V859 WeakPolarHBondContact O-CG2 2.96Å; Q855-V859 PolarHBondContact O-N 2.87Å; E856-V859 PolarHBondContact O-N 2.98Å; V859-V861 VanDerWaalsContact C-N 3.34Å; V859-V861 PolarHBondContact O-N 2.97Å; V859-K862 CarbonylContact O-C 3.56Å; V859-K862 WeakPolarHBondContact O-CA 3.02Å; V859-K862 PolarHBondContact O-N 2.83Å; V859-E863 HydrophobicContact CG1-CG 4.19Å; V859-E863 WeakPolarHBondContact O-CB 3.25Å; V859-E863 WeakPolarHBondContact O-CG 3.35Å; V859-E863 PolarHBondContact O-N 2.88Å |
| 860 | A | 90.2 | Very high | 87.3 | Confident | 56 Ų | 56 | 101.4 Ų | 101.4 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E856 E863 E864 | E856-A860 PolarHBondContact O-N 3.23Å; A860-E863 PolarHBondContact O-N 2.87Å; A860-E864 WeakPolarHBondContact O-CB 3.35Å; A860-E864 PolarHBondContact O-N 3.45Å |
| 861 | V | 89.8 | Confident | 87.6 | Confident | 80 Ų | 80 | 98.6 Ų | 98.6 | 49% | 0.485 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -38.7 | 173.5 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | D857 V859 E864 E865 | D857-V861 WeakPolarHBondContact O-CB 3.29Å; D857-V861 VanDerWaalsContact O-CG2 3.27Å; D857-V861 WeakPolarHBondContact O-CG2 3.37Å; D857-V861 PolarHBondContact O-N 2.76Å; V859-V861 VanDerWaalsContact C-N 3.34Å; V859-V861 PolarHBondContact O-N 2.97Å; V861-E864 PolarHBondContact O-N 2.88Å; V861-E865 WeakPolarHBondContact O-CB 3.27Å; V861-E865 WeakPolarHBondContact O-CG 3.3Å; V861-E865 PolarHBondContact O-N 2.95Å |
| 862 | K | 89.8 | Confident | 88 | Confident | 92 Ų | 92 | 101.8 Ų | 101.8 | 40% | 0.4 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.5 | -31.2 | 177.6 | -73.4 | -68.3 | 171.7 | -139.4 | 0 | 113.5 | L858 V859 E865 L866 | L858-K862 HydrophobicContact CD1-CG 4.19Å; L858-K862 HydrophobicContact CG-CG 4.44Å; L858-K862 VanDerWaalsContact O-CB 3.25Å; L858-K862 WeakPolarHBondContact O-CB 3.41Å; L858-K862 WeakPolarHBondContact O-CG 3.44Å; L858-K862 PolarHBondContact O-N 3.33Å; V859-K862 CarbonylContact O-C 3.56Å; V859-K862 WeakPolarHBondContact O-CA 3.02Å; V859-K862 PolarHBondContact O-N 2.83Å; K862-E865 IonicContact NZ-OE1 3.38Å; K862-E865 PolarHBondContact NZ-OE1 3.15Å; K862-E865 IonicContact NZ-OE2 3.34Å; K862-E865 PolarHBondContact NZ-OE2 3.41Å; K862-L866 WeakPolarHBondContact O-CB 3.46Å; K862-L866 WeakPolarHBondContact O-CD1 3.2Å; K862-L866 WeakPolarHBondContact O-CG 3.16Å; K862-L866 PolarHBondContact O-N 3.43Å |
| 863 | E | 90.8 | Very high | 88.2 | Confident | 127 Ų | 127 | 103.2 Ų | 103.2 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.9 | -40.9 | 171.9 | -73.4 | 177.4 | 159.7 | 0 | 0 | 110.8 | V859 A860 L866 R867 | V859-E863 HydrophobicContact CG1-CG 4.19Å; V859-E863 WeakPolarHBondContact O-CB 3.25Å; V859-E863 WeakPolarHBondContact O-CG 3.35Å; V859-E863 PolarHBondContact O-N 2.88Å; A860-E863 PolarHBondContact O-N 2.87Å; E863-L866 PolarHBondContact O-N 3.21Å; E863-R867 VanDerWaalsContact O-CB 3.3Å; E863-R867 WeakPolarHBondContact O-CB 2.86Å; E863-R867 PolarHBondContact O-N 3.36Å |
| 864 | E | 89.8 | Confident | 88.7 | Confident | 66 Ų | 66 | 104.9 Ų | 104.9 | 31% | 0.308 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.8 | -38.9 | 174.2 | 175.9 | 61.1 | -176.1 | 0 | 0 | 112.9 | A860 V861 R867 K868 | A860-E864 WeakPolarHBondContact O-CB 3.35Å; A860-E864 PolarHBondContact O-N 3.45Å; V861-E864 PolarHBondContact O-N 2.88Å; E864-R867 IonicContact OE1-CZ 2.77Å; E864-R867 IonicContact OE1-NH2 3.73Å; E864-R867 PolarHBondContact OE1-NH2 3.36Å; E864-R867 IonicContact OE2-CZ 3.18Å; E864-R867 IonicContact OE2-NE 3.32Å; E864-R867 PolarHBondContact OE2-NE 2.84Å; E864-R867 IonicContact OE2-NH2 3.64Å; E864-R867 PolarHBondContact OE2-NH2 3.01Å; E864-K868 HydrophobicContact CG-CD 4.45Å; E864-K868 WeakPolarHBondContact O-CB 3.17Å; E864-K868 PolarHBondContact O-N 3.13Å; E864-K868 WeakPolarHBondContact OE1-CE 3.08Å; E864-K868 IonicContact OE1-NZ 3.54Å; E864-K868 PolarHBondContact OE1-NZ 3.4Å |
| 865 | E | 89.9 | Confident | 89.1 | Confident | 80 Ų | 80 | 102.4 Ų | 102.4 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 169 | -78.1 | 179.5 | -146.7 | 0 | 0 | 111.2 | V861 K862 R867 K868 I869 | V861-E865 WeakPolarHBondContact O-CB 3.27Å; V861-E865 WeakPolarHBondContact O-CG 3.3Å; V861-E865 PolarHBondContact O-N 2.95Å; K862-E865 IonicContact NZ-OE1 3.38Å; K862-E865 PolarHBondContact NZ-OE1 3.15Å; K862-E865 IonicContact NZ-OE2 3.34Å; K862-E865 PolarHBondContact NZ-OE2 3.41Å; E865-R867 VanDerWaalsContact C-N 3.33Å; E865-R867 PolarHBondContact O-N 3.13Å; E865-K868 PolarHBondContact O-N 3.09Å; E865-I869 WeakPolarHBondContact O-CB 3.38Å; E865-I869 VanDerWaalsContact O-CG1 3.24Å; E865-I869 WeakPolarHBondContact O-CG1 3.36Å; E865-I869 PolarHBondContact O-N 3.05Å |
| 866 | L | 90 | Very high | 89.3 | Confident | 87 Ų | 87 | 101.3 Ų | 101.3 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -35.9 | 178.9 | -77.1 | 168.4 | 0 | 0 | 0 | 112.1 | K862 E863 R870 | K862-L866 WeakPolarHBondContact O-CB 3.46Å; K862-L866 WeakPolarHBondContact O-CD1 3.2Å; K862-L866 WeakPolarHBondContact O-CG 3.16Å; K862-L866 PolarHBondContact O-N 3.43Å; E863-L866 PolarHBondContact O-N 3.21Å; L866-R870 WeakPolarHBondContact O-CB 3.39Å; L866-R870 VanDerWaalsContact O-CG 3.24Å; L866-R870 WeakPolarHBondContact O-CG 2.93Å; L866-R870 PolarHBondContact O-N 2.8Å |
| 867 | R | 91.4 | Very high | 89.5 | Confident | 111 Ų | 111 | 98.7 Ų | 98.7 | 42% | 0.419 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -51.8 | 173.3 | -175.4 | -178 | 69.5 | 93.7 | -7.5 | 110.6 | E863 E864 E865 I869 R870 E871 | E863-R867 VanDerWaalsContact O-CB 3.3Å; E863-R867 WeakPolarHBondContact O-CB 2.86Å; E863-R867 PolarHBondContact O-N 3.36Å; E864-R867 IonicContact OE1-CZ 2.77Å; E864-R867 IonicContact OE1-NH2 3.73Å; E864-R867 PolarHBondContact OE1-NH2 3.36Å; E864-R867 IonicContact OE2-CZ 3.18Å; E864-R867 IonicContact OE2-NE 3.32Å; E864-R867 PolarHBondContact OE2-NE 2.84Å; E864-R867 IonicContact OE2-NH2 3.64Å; E864-R867 PolarHBondContact OE2-NH2 3.01Å; E865-R867 VanDerWaalsContact C-N 3.33Å; E865-R867 PolarHBondContact O-N 3.13Å; R867-I869 VanDerWaalsContact C-N 3.32Å; R867-I869 PolarHBondContact O-N 3.26Å; R867-R870 PolarHBondContact O-N 2.83Å; R867-R870 VanDerWaalsContact O-N 3.16Å; R867-E871 VanDerWaalsContact CG-OE1 3.29Å; R867-E871 WeakPolarHBondContact CG-OE1 3.3Å; R867-E871 IonicContact CZ-OE1 2.85Å; R867-E871 IonicContact NE-OE1 2.8Å; R867-E871 IonicContact NH1-OE1 3.18Å; R867-E871 PolarHBondContact NH1-OE1 2.82Å; R867-E871 IonicContact NH1-OE2 2.98Å; R867-E871 WeakPolarHBondContact O-CG 3.36Å; R867-E871 PolarHBondContact O-N 3.04Å |
| 868 | K | 90.6 | Very high | 89.7 | Confident | 104 Ų | 104 | 97.2 Ų | 97.2 | 45% | 0.452 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 176.7 | -81 | 165.4 | 165.1 | 150.4 | 0 | 112.9 | E864 E865 Q872 | E864-K868 HydrophobicContact CG-CD 4.45Å; E864-K868 WeakPolarHBondContact O-CB 3.17Å; E864-K868 PolarHBondContact O-N 3.13Å; E864-K868 WeakPolarHBondContact OE1-CE 3.08Å; E864-K868 IonicContact OE1-NZ 3.54Å; E864-K868 PolarHBondContact OE1-NZ 3.4Å; E865-K868 PolarHBondContact O-N 3.09Å; K868-Q872 WeakPolarHBondContact O-CB 3.46Å; K868-Q872 VanDerWaalsContact O-CG 3.28Å; K868-Q872 WeakPolarHBondContact O-CG 3.48Å; K868-Q872 PolarHBondContact O-N 3.33Å |
| 869 | I | 90.6 | Very high | 89.7 | Confident | 93 Ų | 93 | 97.7 Ų | 97.7 | 48% | 0.477 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.4 | -40.5 | 175.2 | -70.5 | 165.4 | 0 | 0 | 0 | 111 | E865 R867 Q872 M873 | E865-I869 WeakPolarHBondContact O-CB 3.38Å; E865-I869 VanDerWaalsContact O-CG1 3.24Å; E865-I869 WeakPolarHBondContact O-CG1 3.36Å; E865-I869 PolarHBondContact O-N 3.05Å; R867-I869 VanDerWaalsContact C-N 3.32Å; R867-I869 PolarHBondContact O-N 3.26Å; I869-Q872 PolarHBondContact O-N 3.4Å; I869-M873 VanDerWaalsContact O-CB 3.25Å; I869-M873 WeakPolarHBondContact O-CB 2.92Å; I869-M873 PolarHBondContact O-N 3.07Å |
| 870 | R | 91.4 | Very high | 89.7 | Confident | 176 Ų | 176 | 99 Ų | 99 | 66% | 0.664 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.1 | -47.8 | 173.8 | -75.9 | 172.4 | -175.7 | -177.5 | 3.4 | 111.8 | L866 R867 Q872 M873 E874 | L866-R870 WeakPolarHBondContact O-CB 3.39Å; L866-R870 VanDerWaalsContact O-CG 3.24Å; L866-R870 WeakPolarHBondContact O-CG 2.93Å; L866-R870 PolarHBondContact O-N 2.8Å; R867-R870 PolarHBondContact O-N 2.83Å; R867-R870 VanDerWaalsContact O-N 3.16Å; R870-Q872 PolarHBondContact O-N 3.39Å; R870-M873 PolarHBondContact O-N 2.62Å; R870-M873 VanDerWaalsContact O-N 3.13Å; R870-E874 WeakPolarHBondContact O-CB 3.41Å; R870-E874 PolarHBondContact O-N 2.8Å |
| 871 | E | 88.1 | Confident | 89.7 | Confident | 71 Ų | 71 | 99.7 Ų | 99.7 | 33% | 0.332 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.4 | -29.7 | 177.4 | -72.1 | 170.5 | -164 | 0 | 0 | 113.1 | R867 K875 | R867-E871 VanDerWaalsContact CG-OE1 3.29Å; R867-E871 WeakPolarHBondContact CG-OE1 3.3Å; R867-E871 IonicContact CZ-OE1 2.85Å; R867-E871 IonicContact NE-OE1 2.8Å; R867-E871 IonicContact NH1-OE1 3.18Å; R867-E871 PolarHBondContact NH1-OE1 2.82Å; R867-E871 IonicContact NH1-OE2 2.98Å; R867-E871 WeakPolarHBondContact O-CG 3.36Å; R867-E871 PolarHBondContact O-N 3.04Å; E871-K875 VanDerWaalsContact O-CD 3.28Å; E871-K875 WeakPolarHBondContact O-CD 3.06Å; E871-K875 VanDerWaalsContact O-CG 3.29Å; E871-K875 WeakPolarHBondContact O-CG 3.48Å |
| 872 | Q | 90.2 | Very high | 89.5 | Confident | 128 Ų | 128 | 101.9 Ų | 101.9 | 60% | 0.598 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -77.2 | -42.4 | 171.6 | -74.8 | 175.4 | -3.6 | 0 | 0 | 111.9 | K868 I869 R870 K875 V876 | K868-Q872 WeakPolarHBondContact O-CB 3.46Å; K868-Q872 VanDerWaalsContact O-CG 3.28Å; K868-Q872 WeakPolarHBondContact O-CG 3.48Å; K868-Q872 PolarHBondContact O-N 3.33Å; I869-Q872 PolarHBondContact O-N 3.4Å; R870-Q872 PolarHBondContact O-N 3.39Å; Q872-K875 PolarHBondContact O-N 2.93Å; Q872-V876 WeakPolarHBondContact O-CG2 3.44Å; Q872-V876 PolarHBondContact O-N 3.42Å |
| 873 | M | 87.8 | Confident | 89.1 | Confident | 127 Ų | 127 | 103.9 Ų | 103.9 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.1 | -40.7 | 178.5 | -175.9 | 175 | 178.9 | 0 | 0 | 111.9 | I869 R870 V876 V877 | I869-M873 VanDerWaalsContact O-CB 3.25Å; I869-M873 WeakPolarHBondContact O-CB 2.92Å; I869-M873 PolarHBondContact O-N 3.07Å; R870-M873 PolarHBondContact O-N 2.62Å; R870-M873 VanDerWaalsContact O-N 3.13Å; M873-V876 PolarHBondContact O-N 3.43Å; M873-V877 HydrophobicContact CG-CG2 4.48Å; M873-V877 WeakPolarHBondContact O-CB 3.08Å; M873-V877 VanDerWaalsContact O-CG2 3.28Å; M873-V877 WeakPolarHBondContact O-CG2 3.39Å; M873-V877 PolarHBondContact O-N 3.38Å |
| 874 | E | 90.8 | Very high | 89 | Confident | 125 Ų | 125 | 102.4 Ų | 102.4 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.6 | -41.5 | 175.8 | -174.7 | 173.5 | -173.2 | 0 | 0 | 111.6 | R870 V877 N878 | R870-E874 WeakPolarHBondContact O-CB 3.41Å; R870-E874 PolarHBondContact O-N 2.8Å; E874-V877 PolarHBondContact O-N 2.89Å; E874-N878 VanDerWaalsContact O-CG 3.27Å; E874-N878 PolarHBondContact O-N 3.46Å; E874-N878 PolarHBondContact O-ND2 3.36Å |
| 875 | K | 87.7 | Confident | 89 | Confident | 117 Ų | 117 | 106.7 Ų | 106.7 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 172.5 | -73 | 167 | -172.8 | 162.7 | 0 | 111.9 | E871 Q872 V877 N878 E879 | E871-K875 VanDerWaalsContact O-CD 3.28Å; E871-K875 WeakPolarHBondContact O-CD 3.06Å; E871-K875 VanDerWaalsContact O-CG 3.29Å; E871-K875 WeakPolarHBondContact O-CG 3.48Å; Q872-K875 PolarHBondContact O-N 2.93Å; K875-V877 VanDerWaalsContact C-N 3.3Å; K875-V877 PolarHBondContact O-N 2.89Å; K875-N878 PolarHBondContact O-N 3.17Å; K875-E879 WeakPolarHBondContact O-CG 3.41Å; K875-E879 PolarHBondContact O-N 2.9Å |
| 876 | V | 89.2 | Confident | 88.7 | Confident | 84 Ų | 84 | 105.6 Ų | 105.6 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -34.2 | 177.9 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | Q872 M873 L880 | Q872-V876 WeakPolarHBondContact O-CG2 3.44Å; Q872-V876 PolarHBondContact O-N 3.42Å; M873-V876 PolarHBondContact O-N 3.43Å; V876-L880 WeakPolarHBondContact O-CB 3.2Å; V876-L880 PolarHBondContact O-N 2.63Å |
| 877 | V | 91.4 | Very high | 88.6 | Confident | 65 Ų | 65 | 109.3 Ų | 109.3 | 39% | 0.394 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.6 | -41.3 | 173.3 | 165.8 | 0 | 0 | 0 | 0 | 111.2 | M873 E874 K875 L880 N881 | M873-V877 HydrophobicContact CG-CG2 4.48Å; M873-V877 WeakPolarHBondContact O-CB 3.08Å; M873-V877 VanDerWaalsContact O-CG2 3.28Å; M873-V877 WeakPolarHBondContact O-CG2 3.39Å; M873-V877 PolarHBondContact O-N 3.38Å; E874-V877 PolarHBondContact O-N 2.89Å; K875-V877 VanDerWaalsContact C-N 3.3Å; K875-V877 PolarHBondContact O-N 2.89Å; V877-L880 PolarHBondContact O-N 3.22Å; V877-N881 WeakPolarHBondContact O-CB 2.98Å; V877-N881 PolarHBondContact O-N 3.32Å; V877-N881 PolarHBondContact O-ND2 2.84Å |
| 878 | N | 89.5 | Confident | 88.5 | Confident | 79 Ų | 79 | 108.1 Ų | 108.1 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.1 | -46.2 | 176.1 | -68.4 | -17.6 | 0 | 0 | 0 | 111.7 | E874 K875 L880 N881 E882 | E874-N878 VanDerWaalsContact O-CG 3.27Å; E874-N878 PolarHBondContact O-N 3.46Å; E874-N878 PolarHBondContact O-ND2 3.36Å; K875-N878 PolarHBondContact O-N 3.17Å; N878-L880 VanDerWaalsContact C-N 3.26Å; N878-L880 PolarHBondContact O-N 2.9Å; N878-N881 PolarHBondContact O-N 2.96Å; N878-E882 WeakPolarHBondContact O-CG 3.42Å; N878-E882 PolarHBondContact O-N 3.24Å |
| 879 | E | 86.7 | Confident | 88.3 | Confident | 107 Ų | 107 | 109 Ų | 109 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.7 | -37.8 | 172.5 | -71.8 | 178 | 168.2 | 0 | 0 | 111.6 | K875 M883 | K875-E879 WeakPolarHBondContact O-CG 3.41Å; K875-E879 PolarHBondContact O-N 2.9Å; E879-M883 WeakPolarHBondContact O-CB 3.14Å; E879-M883 VanDerWaalsContact O-CG 3.25Å; E879-M883 WeakPolarHBondContact O-CG 3.42Å; E879-M883 PolarHBondContact O-N 2.98Å |
| 880 | L | 88.2 | Confident | 88 | Confident | 104 Ų | 104 | 109.3 Ų | 109.3 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71 | -39.3 | 176.4 | -171.4 | 151.1 | 0 | 0 | 0 | 112.3 | V876 V877 N878 M883 Q884 | V876-L880 WeakPolarHBondContact O-CB 3.2Å; V876-L880 PolarHBondContact O-N 2.63Å; V877-L880 PolarHBondContact O-N 3.22Å; N878-L880 VanDerWaalsContact C-N 3.26Å; N878-L880 PolarHBondContact O-N 2.9Å; L880-M883 PolarHBondContact O-N 2.7Å; L880-Q884 WeakPolarHBondContact O-CB 3.46Å; L880-Q884 PolarHBondContact O-N 2.61Å |
| 881 | N | 90.1 | Very high | 87.9 | Confident | 70 Ų | 70 | 103.2 Ų | 103.2 | 37% | 0.374 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 174.8 | -70 | -27.6 | 0 | 0 | 0 | 111.7 | V877 N878 Q884 R885 | V877-N881 WeakPolarHBondContact O-CB 2.98Å; V877-N881 PolarHBondContact O-N 3.32Å; V877-N881 PolarHBondContact O-ND2 2.84Å; N878-N881 PolarHBondContact O-N 2.96Å; N881-Q884 PolarHBondContact O-N 2.72Å; N881-R885 WeakPolarHBondContact O-CG 3.35Å; N881-R885 PolarHBondContact O-N 2.78Å |
| 882 | E | 85.5 | Confident | 88 | Confident | 126 Ų | 126 | 104.9 Ų | 104.9 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.2 | -45.8 | 173 | -72.9 | 168.9 | -170.6 | 0 | 0 | 111.2 | N878 Q884 R885 S886 | N878-E882 WeakPolarHBondContact O-CG 3.42Å; N878-E882 PolarHBondContact O-N 3.24Å; E882-Q884 VanDerWaalsContact C-N 3.31Å; E882-Q884 PolarHBondContact O-N 2.92Å; E882-R885 PolarHBondContact O-N 2.95Å; E882-S886 WeakPolarHBondContact O-CB 3.48Å; E882-S886 PolarHBondContact O-N 3.14Å |
| 883 | M | 82 | Confident | 87.7 | Confident | 134 Ų | 134 | 102.3 Ų | 102.3 | 66% | 0.66 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.6 | -34.3 | 173.6 | -74.7 | -64 | -57.7 | 0 | 0 | 112.9 | E879 L880 S886 Y887 | E879-M883 WeakPolarHBondContact O-CB 3.14Å; E879-M883 VanDerWaalsContact O-CG 3.25Å; E879-M883 WeakPolarHBondContact O-CG 3.42Å; E879-M883 PolarHBondContact O-N 2.98Å; L880-M883 PolarHBondContact O-N 2.7Å; M883-S886 PolarHBondContact O-N 3.31Å; M883-Y887 WeakPolarHBondContact O-CB 3.2Å; M883-Y887 PolarHBondContact O-N 3.27Å |
| 884 | Q | 88.7 | Confident | 87.7 | Confident | 97 Ų | 97 | 102.8 Ų | 102.8 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.5 | -46.3 | 174.8 | -174.6 | -179.2 | -40.2 | 0 | 0 | 111.4 | L880 N881 E882 S886 Y887 E888 | L880-Q884 WeakPolarHBondContact O-CB 3.46Å; L880-Q884 PolarHBondContact O-N 2.61Å; N881-Q884 PolarHBondContact O-N 2.72Å; E882-Q884 VanDerWaalsContact C-N 3.31Å; E882-Q884 PolarHBondContact O-N 2.92Å; Q884-S886 VanDerWaalsContact C-N 3.25Å; Q884-S886 PolarHBondContact O-N 3.44Å; Q884-Y887 CarbonylContact O-C 3.36Å; Q884-Y887 WeakPolarHBondContact O-CA 3.27Å; Q884-Y887 WeakPolarHBondContact O-CB 3.33Å; Q884-Y887 PolarHBondContact O-N 3.01Å; Q884-Y887 VanDerWaalsContact O-N 3.09Å; Q884-E888 WeakPolarHBondContact CG-OE1 3.41Å; Q884-E888 PolarHBondContact NE2-OE1 3.32Å; Q884-E888 WeakPolarHBondContact O-CG 2.97Å; Q884-E888 PolarHBondContact O-N 3.36Å |
| 885 | R | 88.8 | Confident | 87.7 | Confident | 155 Ų | 155 | 101.9 Ų | 101.9 | 59% | 0.585 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.8 | -38.2 | 174.2 | -72 | 172.3 | 178.3 | -174.2 | -1.5 | 112 | N881 E882 E888 K889 | N881-R885 WeakPolarHBondContact O-CG 3.35Å; N881-R885 PolarHBondContact O-N 2.78Å; E882-R885 PolarHBondContact O-N 2.95Å; R885-E888 PolarHBondContact O-N 3.41Å; R885-K889 PolarHBondContact O-N 3Å |
| 886 | S | 84.5 | Confident | 87.8 | Confident | 58 Ų | 58 | 101.8 Ų | 101.8 | 41% | 0.406 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 173.6 | -173.6 | 0 | 0 | 0 | 0 | 112 | E882 M883 Q884 K889 L890 | E882-S886 WeakPolarHBondContact O-CB 3.48Å; E882-S886 PolarHBondContact O-N 3.14Å; M883-S886 PolarHBondContact O-N 3.31Å; Q884-S886 VanDerWaalsContact C-N 3.25Å; Q884-S886 PolarHBondContact O-N 3.44Å; S886-K889 PolarHBondContact O-N 2.95Å; S886-L890 WeakPolarHBondContact O-CB 3.22Å; S886-L890 WeakPolarHBondContact O-CG 3.34Å; S886-L890 PolarHBondContact O-N 2.82Å |
| 887 | Y | 86.9 | Confident | 87.5 | Confident | 164 Ų | 164 | 102.9 Ų | 102.9 | 64% | 0.643 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 173.1 | 179.1 | -95.2 | 0 | 0 | 0 | 112.8 | M883 Q884 L890 S891 | M883-Y887 WeakPolarHBondContact O-CB 3.2Å; M883-Y887 PolarHBondContact O-N 3.27Å; Q884-Y887 CarbonylContact O-C 3.36Å; Q884-Y887 WeakPolarHBondContact O-CA 3.27Å; Q884-Y887 WeakPolarHBondContact O-CB 3.33Å; Q884-Y887 PolarHBondContact O-N 3.01Å; Q884-Y887 VanDerWaalsContact O-N 3.09Å; Y887-L890 PolarHBondContact O-N 3.45Å; Y887-S891 WeakPolarHBondContact O-CB 3.48Å; Y887-S891 PolarHBondContact O-N 3.01Å |
| 888 | E | 90.1 | Very high | 87.3 | Confident | 86 Ų | 86 | 104 Ų | 104 | 40% | 0.402 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 175.5 | -72.6 | 164.6 | -176.3 | 0 | 0 | 111.5 | Q884 R885 S891 N892 | Q884-E888 WeakPolarHBondContact CG-OE1 3.41Å; Q884-E888 PolarHBondContact NE2-OE1 3.32Å; Q884-E888 WeakPolarHBondContact O-CG 2.97Å; Q884-E888 PolarHBondContact O-N 3.36Å; R885-E888 PolarHBondContact O-N 3.41Å; E888-S891 WeakPolarHBondContact O-CB 3.21Å; E888-S891 PolarHBondContact O-N 2.85Å; E888-N892 PolarHBondContact O-N 3.1Å |
| 889 | K | 87.1 | Confident | 87.2 | Confident | 124 Ų | 124 | 103.1 Ų | 103.1 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.6 | -51.5 | 171.4 | -168.5 | -167.7 | 179.7 | -160.2 | 0 | 111.2 | R885 S886 S891 N892 E893 | R885-K889 PolarHBondContact O-N 3Å; S886-K889 PolarHBondContact O-N 2.95Å; K889-S891 VanDerWaalsContact C-N 3.26Å; K889-S891 PolarHBondContact O-N 3.35Å; K889-N892 PolarHBondContact O-N 2.94Å; K889-N892 VanDerWaalsContact O-N 3.13Å; K889-E893 WeakPolarHBondContact CE-OE1 3.41Å; K889-E893 IonicContact NZ-OE1 2.78Å; K889-E893 WeakPolarHBondContact O-CG 3.03Å; K889-E893 PolarHBondContact O-N 3.48Å |
| 890 | L | 83.7 | Confident | 87 | Confident | 99 Ų | 99 | 102.1 Ų | 102.1 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -30.7 | 177.3 | -71.5 | 166.1 | 0 | 0 | 0 | 113 | S886 Y887 K894 | S886-L890 WeakPolarHBondContact O-CB 3.22Å; S886-L890 WeakPolarHBondContact O-CG 3.34Å; S886-L890 PolarHBondContact O-N 2.82Å; Y887-L890 PolarHBondContact O-N 3.45Å; L890-K894 VanDerWaalsContact O-CB 3.31Å; L890-K894 WeakPolarHBondContact O-CB 3.44Å; L890-K894 PolarHBondContact O-N 3.26Å |
| 891 | S | 89.3 | Confident | 86.8 | Confident | 48 Ų | 48 | 101.2 Ų | 101.2 | 34% | 0.336 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.5 | -41 | 174.3 | -166.4 | 0 | 0 | 0 | 0 | 111.5 | Y887 E888 K889 K894 I895 | Y887-S891 WeakPolarHBondContact O-CB 3.48Å; Y887-S891 PolarHBondContact O-N 3.01Å; E888-S891 WeakPolarHBondContact O-CB 3.21Å; E888-S891 PolarHBondContact O-N 2.85Å; K889-S891 VanDerWaalsContact C-N 3.26Å; K889-S891 PolarHBondContact O-N 3.35Å; S891-K894 WeakPolarHBondContact O-CB 3.49Å; S891-K894 PolarHBondContact O-N 3.31Å; S891-I895 WeakPolarHBondContact O-CG1 3.45Å; S891-I895 PolarHBondContact O-N 2.86Å |
| 892 | N | 89.1 | Confident | 86.6 | Confident | 106 Ų | 106 | 103 Ų | 103 | 57% | 0.567 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68 | -43.5 | 174.8 | -68.9 | -19.5 | 0 | 0 | 0 | 111.7 | E888 K889 K894 I895 Q896 | E888-N892 PolarHBondContact O-N 3.1Å; K889-N892 PolarHBondContact O-N 2.94Å; K889-N892 VanDerWaalsContact O-N 3.13Å; N892-K894 VanDerWaalsContact C-N 3.29Å; N892-K894 PolarHBondContact O-N 3.23Å; N892-I895 WeakPolarHBondContact O-CB 3.2Å; N892-I895 PolarHBondContact O-N 2.93Å; N892-Q896 PolarHBondContact O-N 2.81Å |
| 893 | E | 85.5 | Confident | 86.6 | Confident | 74 Ų | 74 | 104 Ų | 104 | 35% | 0.346 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.4 | -41.4 | 171.7 | -72.5 | 172.2 | -165.8 | 0 | 0 | 111.2 | K889 I895 Q896 L897 | K889-E893 WeakPolarHBondContact CE-OE1 3.41Å; K889-E893 IonicContact NZ-OE1 2.78Å; K889-E893 WeakPolarHBondContact O-CG 3.03Å; K889-E893 PolarHBondContact O-N 3.48Å; E893-I895 VanDerWaalsContact C-N 3.34Å; E893-I895 PolarHBondContact O-N 3.26Å; E893-Q896 PolarHBondContact O-N 2.84Å; E893-L897 WeakPolarHBondContact O-CB 3.49Å; E893-L897 VanDerWaalsContact O-CG 3.31Å; E893-L897 WeakPolarHBondContact O-CG 3.42Å; E893-L897 PolarHBondContact O-N 2.98Å |
| 894 | K | 87.4 | Confident | 86.6 | Confident | 136 Ų | 136 | 102.6 Ų | 102.6 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -36 | 173.2 | 179.3 | -176.5 | 173.8 | -172.2 | 0 | 112.8 | L890 S891 N892 N898 | L890-K894 VanDerWaalsContact O-CB 3.31Å; L890-K894 WeakPolarHBondContact O-CB 3.44Å; L890-K894 PolarHBondContact O-N 3.26Å; S891-K894 WeakPolarHBondContact O-CB 3.49Å; S891-K894 PolarHBondContact O-N 3.31Å; N892-K894 VanDerWaalsContact C-N 3.29Å; N892-K894 PolarHBondContact O-N 3.23Å; K894-N898 VanDerWaalsContact O-CG 3.3Å; K894-N898 PolarHBondContact O-N 3.02Å; K894-N898 VanDerWaalsContact O-N 3.09Å; K894-N898 PolarHBondContact O-ND2 3.27Å |
| 895 | I | 90.9 | Very high | 86.4 | Confident | 106 Ų | 106 | 103.5 Ų | 103.5 | 54% | 0.544 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.4 | -42.9 | 175.5 | -69.6 | 164 | 0 | 0 | 0 | 110.3 | S891 N892 E893 N898 A899 | S891-I895 WeakPolarHBondContact O-CG1 3.45Å; S891-I895 PolarHBondContact O-N 2.86Å; N892-I895 WeakPolarHBondContact O-CB 3.2Å; N892-I895 PolarHBondContact O-N 2.93Å; E893-I895 VanDerWaalsContact C-N 3.34Å; E893-I895 PolarHBondContact O-N 3.26Å; I895-N898 PolarHBondContact O-N 3.09Å; I895-A899 PolarHBondContact O-N 2.95Å; I895-A899 VanDerWaalsContact O-N 3.14Å |
| 896 | Q | 89 | Confident | 86.2 | Confident | 115 Ų | 115 | 99.5 Ų | 99.5 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 173.7 | -180 | 177.7 | -25.1 | 0 | 0 | 111.5 | N892 E893 N898 A899 E900 | N892-Q896 PolarHBondContact O-N 2.81Å; E893-Q896 PolarHBondContact O-N 2.84Å; Q896-N898 VanDerWaalsContact C-N 3.25Å; Q896-N898 PolarHBondContact O-N 3.37Å; Q896-A899 WeakPolarHBondContact O-CA 3.09Å; Q896-A899 WeakPolarHBondContact O-CB 3.13Å; Q896-A899 PolarHBondContact O-N 3.02Å; Q896-E900 HydrophobicContact CG-CG 4.41Å; Q896-E900 WeakPolarHBondContact CG-OE1 3.38Å; Q896-E900 PolarHBondContact NE2-OE1 3Å; Q896-E900 PolarHBondContact O-N 2.92Å |
| 897 | L | 83.9 | Confident | 86.2 | Confident | 107 Ų | 107 | 99.7 Ų | 99.7 | 56% | 0.56 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.8 | -32 | 176.6 | -74.5 | 167.3 | 0 | 0 | 0 | 113.1 | E893 L901 | E893-L897 WeakPolarHBondContact O-CB 3.49Å; E893-L897 VanDerWaalsContact O-CG 3.31Å; E893-L897 WeakPolarHBondContact O-CG 3.42Å; E893-L897 PolarHBondContact O-N 2.98Å; L897-L901 WeakPolarHBondContact O-CB 3.28Å; L897-L901 PolarHBondContact O-N 2.83Å |
| 898 | N | 85.8 | Confident | 86 | Confident | 88 Ų | 88 | 94.5 Ų | 94.5 | 47% | 0.471 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.8 | -33.7 | 172.2 | -72.3 | -45 | 0 | 0 | 0 | 112.5 | K894 I895 Q896 Q902 | K894-N898 VanDerWaalsContact O-CG 3.3Å; K894-N898 PolarHBondContact O-N 3.02Å; K894-N898 VanDerWaalsContact O-N 3.09Å; K894-N898 PolarHBondContact O-ND2 3.27Å; I895-N898 PolarHBondContact O-N 3.09Å; Q896-N898 VanDerWaalsContact C-N 3.25Å; Q896-N898 PolarHBondContact O-N 3.37Å; N898-Q902 PolarHBondContact O-N 3.49Å |
| 899 | A | 87.5 | Confident | 85.7 | Confident | 61 Ų | 61 | 96.1 Ų | 96.1 | 50% | 0.504 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72 | -41.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I895 Q896 Q902 Q903 | I895-A899 PolarHBondContact O-N 2.95Å; I895-A899 VanDerWaalsContact O-N 3.14Å; Q896-A899 WeakPolarHBondContact O-CA 3.09Å; Q896-A899 WeakPolarHBondContact O-CB 3.13Å; Q896-A899 PolarHBondContact O-N 3.02Å; A899-Q902 PolarHBondContact O-N 3.23Å; A899-Q903 PolarHBondContact O-N 2.9Å |
| 900 | E | 84.2 | Confident | 85.7 | Confident | 87 Ų | 87 | 95 Ų | 95 | 41% | 0.407 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 171.9 | -70.1 | 173.5 | -170.5 | 0 | 0 | 111.3 | Q896 Q902 Q903 E904 | Q896-E900 HydrophobicContact CG-CG 4.41Å; Q896-E900 WeakPolarHBondContact CG-OE1 3.38Å; Q896-E900 PolarHBondContact NE2-OE1 3Å; Q896-E900 PolarHBondContact O-N 2.92Å; E900-Q902 PolarHBondContact O-N 3.48Å; E900-Q903 PolarHBondContact O-N 3.26Å; E900-E904 WeakPolarHBondContact O-CB 3.28Å; E900-E904 PolarHBondContact O-N 3.46Å |
| 901 | L | 83 | Confident | 85.6 | Confident | 85 Ų | 85 | 94 Ų | 94 | 45% | 0.445 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -37.4 | 173.9 | -178.3 | 65.3 | 0 | 0 | 0 | 112.5 | L897 E904 H905 | L897-L901 WeakPolarHBondContact O-CB 3.28Å; L897-L901 PolarHBondContact O-N 2.83Å; L901-E904 PolarHBondContact O-N 3.12Å; L901-H905 WeakPolarHBondContact O-CB 3.07Å; L901-H905 PolarHBondContact O-N 2.96Å |
| 902 | Q | 86 | Confident | 85.2 | Confident | 108 Ų | 108 | 95.1 Ų | 95.1 | 51% | 0.505 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 172.9 | -175 | 64.6 | 55.5 | 0 | 0 | 111.1 | N898 A899 E900 E904 H905 D906 | N898-Q902 PolarHBondContact O-N 3.49Å; A899-Q902 PolarHBondContact O-N 3.23Å; E900-Q902 PolarHBondContact O-N 3.48Å; Q902-E904 VanDerWaalsContact C-N 3.33Å; Q902-E904 PolarHBondContact O-N 3.49Å; Q902-H905 WeakPolarHBondContact O-CB 3.4Å; Q902-H905 PolarHBondContact O-N 3.38Å; Q902-H905 VanDerWaalsContact O-N 3.15Å; Q902-D906 PolarHBondContact NE2-OD1 2.87Å; Q902-D906 VanDerWaalsContact O-CG 3.28Å; Q902-D906 PolarHBondContact O-N 2.99Å |
| 903 | Q | 86.1 | Confident | 85 | Confident | 145 Ų | 145 | 93.2 Ų | 93.2 | 68% | 0.678 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.4 | -38.1 | 175.2 | -175.5 | 178.8 | -11.2 | 0 | 0 | 111.9 | A899 E900 S907 | A899-Q903 PolarHBondContact O-N 2.9Å; E900-Q903 PolarHBondContact O-N 3.26Å; Q903-S907 WeakPolarHBondContact O-CB 3.4Å; Q903-S907 PolarHBondContact O-N 3.33Å |
| 904 | E | 81 | Confident | 84.9 | Confident | 105 Ų | 105 | 94.8 Ų | 94.8 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.7 | -35.8 | 172.3 | -175.5 | 174.1 | -158.5 | 0 | 0 | 111.6 | E900 L901 Q902 N908 | E900-E904 WeakPolarHBondContact O-CB 3.28Å; E900-E904 PolarHBondContact O-N 3.46Å; L901-E904 PolarHBondContact O-N 3.12Å; Q902-E904 VanDerWaalsContact C-N 3.33Å; Q902-E904 PolarHBondContact O-N 3.49Å; E904-N908 WeakPolarHBondContact CG-ND2 3.43Å; E904-N908 WeakPolarHBondContact O-CB 3.13Å; E904-N908 PolarHBondContact O-N 2.94Å; E904-N908 PolarHBondContact O-ND2 3.43Å |
| 905 | H | 84 | Confident | 84.7 | Confident | 116 Ų | 116 | 95.6 Ų | 95.6 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.4 | -48.4 | 174.7 | -168.8 | 69.2 | 0 | 0 | 0 | 111.9 | L901 Q902 S907 N908 Q909 | L901-H905 WeakPolarHBondContact O-CB 3.07Å; L901-H905 PolarHBondContact O-N 2.96Å; Q902-H905 WeakPolarHBondContact O-CB 3.4Å; Q902-H905 PolarHBondContact O-N 3.38Å; Q902-H905 VanDerWaalsContact O-N 3.15Å; H905-S907 VanDerWaalsContact C-N 3.31Å; H905-S907 PolarHBondContact O-N 3.13Å; H905-N908 PolarHBondContact O-N 3.42Å; H905-Q909 PolarHBondContact O-N 3.02Å |
| 906 | D | 86 | Confident | 84.4 | Confident | 72 Ų | 72 | 92.5 Ų | 92.5 | 39% | 0.385 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 176.5 | -64.9 | -2.3 | 0 | 0 | 0 | 110.9 | Q902 Q909 N910 | Q902-D906 PolarHBondContact NE2-OD1 2.87Å; Q902-D906 VanDerWaalsContact O-CG 3.28Å; Q902-D906 PolarHBondContact O-N 2.99Å; D906-Q909 PolarHBondContact O-N 3.36Å; D906-N910 PolarHBondContact O-N 2.97Å; D906-N910 PolarHBondContact O-ND2 2.92Å |
| 907 | S | 84.9 | Confident | 84.3 | Confident | 62 Ų | 62 | 95 Ų | 95 | 43% | 0.434 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 173.9 | -173.2 | 0 | 0 | 0 | 0 | 112.2 | Q903 H905 Q909 N910 L911 | Q903-S907 WeakPolarHBondContact O-CB 3.4Å; Q903-S907 PolarHBondContact O-N 3.33Å; H905-S907 VanDerWaalsContact C-N 3.31Å; H905-S907 PolarHBondContact O-N 3.13Å; S907-Q909 VanDerWaalsContact C-N 3.32Å; S907-Q909 PolarHBondContact O-N 2.81Å; S907-N910 WeakPolarHBondContact O-CB 3.19Å; S907-N910 PolarHBondContact O-N 2.69Å; S907-L911 WeakPolarHBondContact O-CG 3.41Å; S907-L911 PolarHBondContact O-N 3.43Å |
| 908 | N | 81.2 | Confident | 84.2 | Confident | 55 Ų | 55 | 95.4 Ų | 95.4 | 29% | 0.294 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.2 | -33.8 | 175 | -83.2 | -58.7 | 0 | 0 | 0 | 112.5 | E904 H905 Q912 | E904-N908 WeakPolarHBondContact CG-ND2 3.43Å; E904-N908 WeakPolarHBondContact O-CB 3.13Å; E904-N908 PolarHBondContact O-N 2.94Å; E904-N908 PolarHBondContact O-ND2 3.43Å; H905-N908 PolarHBondContact O-N 3.42Å; N908-Q912 VanDerWaalsContact O-CB 3.29Å; N908-Q912 WeakPolarHBondContact O-CB 3.46Å; N908-Q912 PolarHBondContact O-N 3.45Å |
| 909 | Q | 85.1 | Confident | 84.1 | Confident | 119 Ų | 119 | 97.2 Ų | 97.2 | 56% | 0.556 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.2 | -45.5 | 172 | -174.8 | 174.5 | -3.7 | 0 | 0 | 111 | H905 D906 S907 Q912 T913 | H905-Q909 PolarHBondContact O-N 3.02Å; D906-Q909 PolarHBondContact O-N 3.36Å; S907-Q909 VanDerWaalsContact C-N 3.32Å; S907-Q909 PolarHBondContact O-N 2.81Å; Q909-Q912 PolarHBondContact O-N 2.83Å; Q909-T913 WeakPolarHBondContact O-CG2 3.37Å; Q909-T913 PolarHBondContact O-N 3.27Å |
| 910 | N | 85.9 | Confident | 84 | Confident | 100 Ų | 100 | 100.4 Ų | 100.4 | 54% | 0.535 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.2 | -51.1 | 174.6 | -71.4 | -41.7 | 0 | 0 | 0 | 111.4 | D906 S907 Q912 T913 E914 | D906-N910 PolarHBondContact O-N 2.97Å; D906-N910 PolarHBondContact O-ND2 2.92Å; S907-N910 WeakPolarHBondContact O-CB 3.19Å; S907-N910 PolarHBondContact O-N 2.69Å; N910-Q912 PolarHBondContact O-N 2.85Å; N910-T913 PolarHBondContact O-N 3.03Å; N910-T913 PolarHBondContact O-OG1 3.26Å; N910-E914 PolarHBondContact O-N 3.23Å |
| 911 | L | 81.6 | Confident | 84.2 | Confident | 78 Ų | 78 | 102.6 Ų | 102.6 | 41% | 0.408 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.8 | -33.2 | 175.8 | -71.5 | 170.5 | 0 | 0 | 0 | 113 | S907 R915 | S907-L911 WeakPolarHBondContact O-CG 3.41Å; S907-L911 PolarHBondContact O-N 3.43Å; L911-R915 WeakPolarHBondContact O-CB 2.9Å; L911-R915 WeakPolarHBondContact O-CG 3.22Å; L911-R915 PolarHBondContact O-N 2.79Å |
| 912 | Q | 81.2 | Confident | 84.3 | Confident | 73 Ų | 73 | 102.8 Ų | 102.8 | 34% | 0.341 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.7 | -39 | 173.6 | -179.4 | 58.3 | 31.5 | 0 | 0 | 111.8 | N908 Q909 N910 R915 D916 | N908-Q912 VanDerWaalsContact O-CB 3.29Å; N908-Q912 WeakPolarHBondContact O-CB 3.46Å; N908-Q912 PolarHBondContact O-N 3.45Å; Q909-Q912 PolarHBondContact O-N 2.83Å; N910-Q912 PolarHBondContact O-N 2.85Å; Q912-R915 PolarHBondContact O-N 3.31Å; Q912-D916 PolarHBondContact NE2-OD1 3.04Å; Q912-D916 PolarHBondContact NE2-OD2 2.7Å; Q912-D916 WeakPolarHBondContact O-CB 3.24Å; Q912-D916 PolarHBondContact O-N 3Å |
| 913 | T | 85.4 | Confident | 84.3 | Confident | 65 Ų | 65 | 102.9 Ų | 102.9 | 40% | 0.399 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.8 | -34.6 | 173.4 | 65.8 | 0 | 0 | 0 | 0 | 112.7 | Q909 N910 D916 R917 | Q909-T913 WeakPolarHBondContact O-CG2 3.37Å; Q909-T913 PolarHBondContact O-N 3.27Å; N910-T913 PolarHBondContact O-N 3.03Å; N910-T913 PolarHBondContact O-OG1 3.26Å; T913-D916 PolarHBondContact O-N 2.92Å; T913-R917 WeakPolarHBondContact O-CB 3.39Å; T913-R917 WeakPolarHBondContact O-CG 3.46Å; T913-R917 PolarHBondContact O-N 2.81Å |
| 914 | E | 82.9 | Confident | 84.4 | Confident | 107 Ų | 107 | 99.2 Ų | 99.2 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 171.7 | -67.9 | -166.1 | 144.5 | 0 | 0 | 111.9 | N910 D916 R917 L918 | N910-E914 PolarHBondContact O-N 3.23Å; E914-D916 VanDerWaalsContact C-N 3.35Å; E914-D916 PolarHBondContact O-N 2.67Å; E914-R917 PolarHBondContact O-N 2.66Å; E914-L918 WeakPolarHBondContact O-CB 3.25Å; E914-L918 VanDerWaalsContact O-CG 3.26Å; E914-L918 WeakPolarHBondContact O-CG 3.36Å; E914-L918 PolarHBondContact O-N 2.84Å |
| 915 | R | 83.1 | Confident | 84.6 | Confident | 153 Ų | 153 | 98.7 Ų | 98.7 | 58% | 0.577 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.7 | -36.8 | 173.1 | -80.4 | 174.9 | 170.9 | 157.4 | 2.1 | 113.4 | L911 Q912 R919 | L911-R915 WeakPolarHBondContact O-CB 2.9Å; L911-R915 WeakPolarHBondContact O-CG 3.22Å; L911-R915 PolarHBondContact O-N 2.79Å; Q912-R915 PolarHBondContact O-N 3.31Å; R915-R919 PolarHBondContact O-N 2.87Å; R915-R919 VanDerWaalsContact O-N 3.08Å |
| 916 | D | 84.3 | Confident | 84.6 | Confident | 41 Ų | 41 | 98.2 Ų | 98.2 | 22% | 0.219 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -69.9 | -45.5 | 176.3 | -75.2 | -6.8 | 0 | 0 | 0 | 110.1 | K416 Q912 T913 E914 L918 R919 E920 | K416-D916 IonicContact NZ-OD2 2.71Å; Q912-D916 PolarHBondContact NE2-OD1 3.04Å; Q912-D916 PolarHBondContact NE2-OD2 2.7Å; Q912-D916 WeakPolarHBondContact O-CB 3.24Å; Q912-D916 PolarHBondContact O-N 3Å; T913-D916 PolarHBondContact O-N 2.92Å; E914-D916 VanDerWaalsContact C-N 3.35Å; E914-D916 PolarHBondContact O-N 2.67Å; D916-L918 VanDerWaalsContact C-N 3.34Å; D916-L918 PolarHBondContact O-N 2.88Å; D916-R919 PolarHBondContact O-N 2.97Å; D916-R919 VanDerWaalsContact O-N 3.1Å; D916-R919 IonicContact OD1-CZ 2.87Å; D916-R919 IonicContact OD1-NH1 3.42Å; D916-R919 PolarHBondContact OD1-NH1 2.82Å; D916-R919 IonicContact OD1-NH2 2.73Å; D916-R919 PolarHBondContact OD1-NH2 3.24Å; D916-E920 PolarHBondContact O-N 3.23Å |
| 917 | R | 86.7 | Confident | 84.6 | Confident | 167 Ų | 167 | 99.2 Ų | 99.2 | 63% | 0.63 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.2 | -39.3 | 170.7 | -75 | 173.6 | 175 | 171.4 | -0.1 | 113.8 | T913 E914 R919 E920 K921 | T913-R917 WeakPolarHBondContact O-CB 3.39Å; T913-R917 WeakPolarHBondContact O-CG 3.46Å; T913-R917 PolarHBondContact O-N 2.81Å; E914-R917 PolarHBondContact O-N 2.66Å; R917-R919 VanDerWaalsContact C-N 3.32Å; R917-E920 PolarHBondContact O-N 2.67Å; R917-K921 WeakPolarHBondContact O-CB 3.31Å; R917-K921 PolarHBondContact O-N 3.09Å |
| 918 | L | 83.4 | Confident | 84.6 | Confident | 117 Ų | 117 | 100.6 Ų | 100.6 | 61% | 0.613 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -70.4 | -27.9 | 177.2 | -76 | 170.8 | 0 | 0 | 0 | 112.1 | E914 D916 L922 | E914-L918 WeakPolarHBondContact O-CB 3.25Å; E914-L918 VanDerWaalsContact O-CG 3.26Å; E914-L918 WeakPolarHBondContact O-CG 3.36Å; E914-L918 PolarHBondContact O-N 2.84Å; D916-L918 VanDerWaalsContact C-N 3.34Å; D916-L918 PolarHBondContact O-N 2.88Å; L918-L922 WeakPolarHBondContact O-CB 3.01Å; L918-L922 PolarHBondContact O-N 2.96Å |
| 919 | R | 83.5 | Confident | 84.6 | Confident | 126 Ų | 126 | 104.4 Ų | 104.4 | 48% | 0.475 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.3 | -38.9 | 170.4 | -87.1 | -170.6 | -97.9 | 91.4 | 9 | 112.4 | R915 D916 R917 K921 L922 Q923 | R915-R919 PolarHBondContact O-N 2.87Å; R915-R919 VanDerWaalsContact O-N 3.08Å; D916-R919 PolarHBondContact O-N 2.97Å; D916-R919 VanDerWaalsContact O-N 3.1Å; D916-R919 IonicContact OD1-CZ 2.87Å; D916-R919 IonicContact OD1-NH1 3.42Å; D916-R919 PolarHBondContact OD1-NH1 2.82Å; D916-R919 IonicContact OD1-NH2 2.73Å; D916-R919 PolarHBondContact OD1-NH2 3.24Å; R917-R919 VanDerWaalsContact C-N 3.32Å; R919-K921 VanDerWaalsContact C-N 3.34Å; R919-K921 PolarHBondContact O-N 2.58Å; R919-L922 PolarHBondContact O-N 3.05Å; R919-Q923 PolarHBondContact O-N 3.38Å |
| 920 | E | 86 | Confident | 84.6 | Confident | 128 Ų | 128 | 103.5 Ų | 103.5 | 60% | 0.598 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.4 | -46.8 | 170.5 | -68.4 | 169.2 | 167.4 | 0 | 0 | 110.8 | D916 R917 L922 Q923 T924 | D916-E920 PolarHBondContact O-N 3.23Å; R917-E920 PolarHBondContact O-N 2.67Å; E920-L922 VanDerWaalsContact C-N 3.34Å; E920-L922 PolarHBondContact O-N 3.4Å; E920-Q923 PolarHBondContact O-N 2.6Å; E920-T924 PolarHBondContact O-N 2.6Å; E920-T924 VanDerWaalsContact O-N 3.07Å |
| 921 | K | 86.9 | Confident | 84.5 | Confident | 132 Ų | 132 | 104.1 Ų | 104.1 | 57% | 0.574 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.4 | -29.6 | 176.8 | -171.5 | 169.8 | -176.3 | 174.1 | 0 | 113.9 | R917 R919 T924 L925 | R917-K921 WeakPolarHBondContact O-CB 3.31Å; R917-K921 PolarHBondContact O-N 3.09Å; R919-K921 VanDerWaalsContact C-N 3.34Å; R919-K921 PolarHBondContact O-N 2.58Å; K921-T924 WeakPolarHBondContact CA-OG1 2.97Å; K921-T924 PolarHBondContact O-OG1 2.78Å; K921-L925 HydrophobicContact CG-CD1 4.4Å; K921-L925 WeakPolarHBondContact O-CD1 2.9Å; K921-L925 VanDerWaalsContact O-CG 3.32Å; K921-L925 WeakPolarHBondContact O-CG 3.07Å; K921-L925 PolarHBondContact O-N 3.17Å |
| 922 | L | 85.8 | Confident | 84.5 | Confident | 90 Ų | 90 | 105.8 Ų | 105.8 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -47.9 | 171.7 | 178.1 | 62.7 | 0 | 0 | 0 | 110.2 | L918 R919 E920 T924 L925 E926 | L918-L922 WeakPolarHBondContact O-CB 3.01Å; L918-L922 PolarHBondContact O-N 2.96Å; R919-L922 PolarHBondContact O-N 3.05Å; E920-L922 VanDerWaalsContact C-N 3.34Å; E920-L922 PolarHBondContact O-N 3.4Å; L922-T924 VanDerWaalsContact C-N 3.34Å; L922-T924 PolarHBondContact O-N 3.3Å; L922-L925 PolarHBondContact O-N 2.86Å; L922-E926 HydrophobicContact CD1-CG 4.33Å; L922-E926 HydrophobicContact CG-CG 4.45Å; L922-E926 WeakPolarHBondContact O-CG 3.33Å; L922-E926 PolarHBondContact O-N 2.72Å |
| 923 | Q | 86.3 | Confident | 84.6 | Confident | 109 Ų | 109 | 107.3 Ų | 107.3 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 179.2 | -170.1 | -171.9 | -38.7 | 0 | 0 | 111.7 | R919 E920 L925 E926 E927 | R919-Q923 PolarHBondContact O-N 3.38Å; E920-Q923 PolarHBondContact O-N 2.6Å; Q923-L925 VanDerWaalsContact C-N 3.27Å; Q923-L925 PolarHBondContact O-N 3.21Å; Q923-E926 PolarHBondContact O-N 2.89Å; Q923-E926 VanDerWaalsContact O-N 3.17Å; Q923-E927 WeakPolarHBondContact CG-OE1 3.43Å; Q923-E927 PolarHBondContact NE2-OE1 2.97Å; Q923-E927 WeakPolarHBondContact O-CG 3.3Å; Q923-E927 PolarHBondContact O-N 2.92Å |
| 924 | T | 88.2 | Confident | 84.6 | Confident | 69 Ų | 69 | 109 Ų | 109 | 42% | 0.423 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -33.9 | 175.9 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | E920 K921 L922 E927 D928 | E920-T924 PolarHBondContact O-N 2.6Å; E920-T924 VanDerWaalsContact O-N 3.07Å; K921-T924 WeakPolarHBondContact CA-OG1 2.97Å; K921-T924 PolarHBondContact O-OG1 2.78Å; L922-T924 VanDerWaalsContact C-N 3.34Å; L922-T924 PolarHBondContact O-N 3.3Å; T924-E927 PolarHBondContact O-N 3.24Å; T924-D928 WeakPolarHBondContact O-CB 3.29Å; T924-D928 VanDerWaalsContact O-CG 3.26Å; T924-D928 PolarHBondContact O-N 2.72Å |
| 925 | L | 84.3 | Confident | 84.6 | Confident | 93 Ų | 93 | 110.4 Ų | 110.4 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -75.7 | -27.6 | 176.4 | -73.8 | 169.4 | 0 | 0 | 0 | 112.9 | K921 L922 Q923 Y929 | K921-L925 HydrophobicContact CG-CD1 4.4Å; K921-L925 WeakPolarHBondContact O-CD1 2.9Å; K921-L925 VanDerWaalsContact O-CG 3.32Å; K921-L925 WeakPolarHBondContact O-CG 3.07Å; K921-L925 PolarHBondContact O-N 3.17Å; L922-L925 PolarHBondContact O-N 2.86Å; Q923-L925 VanDerWaalsContact C-N 3.27Å; Q923-L925 PolarHBondContact O-N 3.21Å; L925-Y929 VanDerWaalsContact O-CB 3.3Å; L925-Y929 WeakPolarHBondContact O-CB 3.26Å; L925-Y929 PolarHBondContact O-N 2.77Å |
| 926 | E | 84.2 | Confident | 84.2 | Confident | 107 Ų | 107 | 106.7 Ų | 106.7 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.7 | -37.7 | 170.5 | -70.1 | 172.8 | 166.3 | 0 | 0 | 110.7 | L922 Q923 Y929 M930 | L922-E926 HydrophobicContact CD1-CG 4.33Å; L922-E926 HydrophobicContact CG-CG 4.45Å; L922-E926 WeakPolarHBondContact O-CG 3.33Å; L922-E926 PolarHBondContact O-N 2.72Å; Q923-E926 PolarHBondContact O-N 2.89Å; Q923-E926 VanDerWaalsContact O-N 3.17Å; E926-Y929 PolarHBondContact O-N 3.24Å; E926-M930 WeakPolarHBondContact O-CG 2.88Å; E926-M930 PolarHBondContact O-N 2.85Å |
| 927 | E | 86.9 | Confident | 84.1 | Confident | 92 Ų | 92 | 107.9 Ų | 107.9 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -47.9 | 172 | -70.7 | 168.5 | -168.7 | 0 | 0 | 111.8 | Q923 T924 Y929 M930 E931 | Q923-E927 WeakPolarHBondContact CG-OE1 3.43Å; Q923-E927 PolarHBondContact NE2-OE1 2.97Å; Q923-E927 WeakPolarHBondContact O-CG 3.3Å; Q923-E927 PolarHBondContact O-N 2.92Å; T924-E927 PolarHBondContact O-N 3.24Å; E927-Y929 VanDerWaalsContact C-N 3.3Å; E927-Y929 PolarHBondContact O-N 2.71Å; E927-M930 HydrophobicContact CG-CE 4.16Å; E927-M930 PolarHBondContact O-N 2.7Å; E927-E931 PolarHBondContact O-N 2.64Å |
| 928 | D | 83.6 | Confident | 83.9 | Confident | 91 Ų | 91 | 105.4 Ų | 105.4 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57 | -40.7 | 172.5 | -74.3 | -28.4 | 0 | 0 | 0 | 112.2 | T924 E931 L932 | T924-D928 WeakPolarHBondContact O-CB 3.29Å; T924-D928 VanDerWaalsContact O-CG 3.26Å; T924-D928 PolarHBondContact O-N 2.72Å; D928-E931 PolarHBondContact O-N 2.91Å; D928-L932 PolarHBondContact O-N 2.69Å; D928-L932 VanDerWaalsContact O-N 3.1Å |
| 929 | Y | 81.1 | Confident | 83.6 | Confident | 136 Ų | 136 | 105.1 Ų | 105.1 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 178.1 | 178.6 | -85.6 | 0 | 0 | 0 | 111.5 | L925 E926 E927 E931 L932 E933 | L925-Y929 VanDerWaalsContact O-CB 3.3Å; L925-Y929 WeakPolarHBondContact O-CB 3.26Å; L925-Y929 PolarHBondContact O-N 2.77Å; E926-Y929 PolarHBondContact O-N 3.24Å; E927-Y929 VanDerWaalsContact C-N 3.3Å; E927-Y929 PolarHBondContact O-N 2.71Å; Y929-E931 VanDerWaalsContact C-N 3.32Å; Y929-E931 PolarHBondContact O-N 2.77Å; Y929-L932 PolarHBondContact O-N 3.42Å; Y929-L932 VanDerWaalsContact O-N 3.14Å; Y929-E933 HydrophobicContact CE1-CB 4.24Å; Y929-E933 PolarHBondContact O-N 3.42Å; Y929-E933 PolarHBondContact OH-OE1 3.18Å |
| 930 | M | 85.1 | Confident | 83.3 | Confident | 100 Ų | 100 | 105 Ų | 105 | 49% | 0.493 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 174.7 | -72.8 | -173.6 | -65.3 | 0 | 0 | 111.9 | E926 E927 L932 N934 | E926-M930 WeakPolarHBondContact O-CG 2.88Å; E926-M930 PolarHBondContact O-N 2.85Å; E927-M930 HydrophobicContact CG-CE 4.16Å; E927-M930 PolarHBondContact O-N 2.7Å; M930-L932 VanDerWaalsContact C-N 3.33Å; M930-L932 PolarHBondContact O-N 2.95Å; M930-N934 WeakPolarHBondContact O-CB 3.4Å; M930-N934 VanDerWaalsContact O-CG 3.29Å; M930-N934 PolarHBondContact O-N 3.33Å; M930-N934 PolarHBondContact O-ND2 3.29Å |
| 931 | E | 85.1 | Confident | 83 | Confident | 113 Ų | 113 | 102.1 Ų | 102.1 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -37.9 | 172 | -83.4 | -150.7 | -169.2 | 0 | 0 | 112.9 | E927 D928 Y929 R935 | E927-E931 PolarHBondContact O-N 2.64Å; D928-E931 PolarHBondContact O-N 2.91Å; Y929-E931 VanDerWaalsContact C-N 3.32Å; Y929-E931 PolarHBondContact O-N 2.77Å; E931-R935 WeakPolarHBondContact O-CG 3.05Å; E931-R935 PolarHBondContact O-N 2.97Å; E931-R935 IonicContact OE2-CZ 3.3Å; E931-R935 IonicContact OE2-NH1 3.97Å; E931-R935 PolarHBondContact OE2-NH1 3.39Å; E931-R935 IonicContact OE2-NH2 2.69Å |
| 932 | L | 80.9 | Confident | 82.8 | Confident | 113 Ų | 113 | 100.5 Ų | 100.5 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.3 | -41.7 | 176.9 | -80.2 | 162.9 | 0 | 0 | 0 | 112.6 | D928 Y929 M930 R935 D936 | D928-L932 PolarHBondContact O-N 2.69Å; D928-L932 VanDerWaalsContact O-N 3.1Å; Y929-L932 PolarHBondContact O-N 3.42Å; Y929-L932 VanDerWaalsContact O-N 3.14Å; M930-L932 VanDerWaalsContact C-N 3.33Å; M930-L932 PolarHBondContact O-N 2.95Å; L932-R935 PolarHBondContact O-N 3.18Å; L932-D936 PolarHBondContact O-N 2.91Å |
| 933 | E | 83.3 | Confident | 82.3 | Confident | 105 Ų | 105 | 99.6 Ų | 99.6 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.5 | -39 | 176.8 | -170.9 | 164.2 | -124.9 | 0 | 0 | 111.6 | Y929 D936 S937 | Y929-E933 HydrophobicContact CE1-CB 4.24Å; Y929-E933 PolarHBondContact O-N 3.42Å; Y929-E933 PolarHBondContact OH-OE1 3.18Å; E933-D936 PolarHBondContact O-N 2.8Å; E933-S937 PolarHBondContact O-N 3.24Å |
| 934 | N | 85 | Confident | 82 | Confident | 100 Ų | 100 | 100.1 Ų | 100.1 | 54% | 0.535 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 171.1 | -76.4 | -53 | 0 | 0 | 0 | 111.8 | M930 D936 S937 E938 | M930-N934 WeakPolarHBondContact O-CB 3.4Å; M930-N934 VanDerWaalsContact O-CG 3.29Å; M930-N934 PolarHBondContact O-N 3.33Å; M930-N934 PolarHBondContact O-ND2 3.29Å; N934-D936 PolarHBondContact O-N 2.99Å; N934-S937 WeakPolarHBondContact O-CB 3.01Å; N934-S937 PolarHBondContact O-N 2.76Å; N934-S937 VanDerWaalsContact O-N 3.15Å; N934-S937 PolarHBondContact O-OG 3.08Å; N934-E938 PolarHBondContact O-N 2.65Å |
| 935 | R | 83.2 | Confident | 81.7 | Confident | 137 Ų | 137 | 101.5 Ų | 101.5 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 175.9 | -80.8 | 179.3 | 172.6 | 98.9 | -1.2 | 113 | E931 L932 S937 E938 E939 | E931-R935 WeakPolarHBondContact O-CG 3.05Å; E931-R935 PolarHBondContact O-N 2.97Å; E931-R935 IonicContact OE2-CZ 3.3Å; E931-R935 IonicContact OE2-NH1 3.97Å; E931-R935 PolarHBondContact OE2-NH1 3.39Å; E931-R935 IonicContact OE2-NH2 2.69Å; L932-R935 PolarHBondContact O-N 3.18Å; R935-S937 VanDerWaalsContact C-N 3.29Å; R935-S937 PolarHBondContact O-N 2.69Å; R935-E938 PolarHBondContact O-N 2.88Å; R935-E939 PolarHBondContact O-N 3.25Å |
| 936 | D | 75.6 | Confident | 81.5 | Confident | 75 Ų | 75 | 102.4 Ų | 102.4 | 40% | 0.401 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -35 | 174.7 | 169.6 | 77.3 | 0 | 0 | 0 | 111.8 | L932 E933 N934 K940 | L932-D936 PolarHBondContact O-N 2.91Å; E933-D936 PolarHBondContact O-N 2.8Å; N934-D936 PolarHBondContact O-N 2.99Å; D936-K940 VanDerWaalsContact CG-NZ 3.26Å; D936-K940 WeakPolarHBondContact O-CB 3.1Å; D936-K940 WeakPolarHBondContact O-CD 2.98Å; D936-K940 VanDerWaalsContact O-CG 3.3Å; D936-K940 WeakPolarHBondContact O-CG 3.34Å; D936-K940 PolarHBondContact O-N 3.18Å; D936-K940 WeakPolarHBondContact OD1-CE 2.89Å; D936-K940 IonicContact OD1-NZ 2.73Å; D936-K940 PolarHBondContact OD1-NZ 3.33Å; D936-K940 VanDerWaalsContact OD1-NZ 3.12Å; D936-K940 WeakPolarHBondContact OD2-CE 3.28Å; D936-K940 IonicContact OD2-NZ 2.63Å; D936-K940 PolarHBondContact OD2-NZ 3.11Å |
| 937 | S | 81.7 | Confident | 81.1 | Confident | 65 Ų | 65 | 102.1 Ų | 102.1 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -38 | 171.9 | 86.8 | 0 | 0 | 0 | 0 | 113.1 | E933 N934 R935 S941 | E933-S937 PolarHBondContact O-N 3.24Å; N934-S937 WeakPolarHBondContact O-CB 3.01Å; N934-S937 PolarHBondContact O-N 2.76Å; N934-S937 VanDerWaalsContact O-N 3.15Å; N934-S937 PolarHBondContact O-OG 3.08Å; R935-S937 VanDerWaalsContact C-N 3.29Å; R935-S937 PolarHBondContact O-N 2.69Å; S937-S941 WeakPolarHBondContact O-CB 2.84Å; S937-S941 PolarHBondContact O-N 2.87Å |
| 938 | E | 82 | Confident | 80.8 | Confident | 115 Ų | 115 | 100.1 Ų | 100.1 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 174.3 | -72.5 | -170.1 | 174.4 | 0 | 0 | 111.9 | N934 R935 S941 K942 | N934-E938 PolarHBondContact O-N 2.65Å; R935-E938 PolarHBondContact O-N 2.88Å; E938-S941 PolarHBondContact O-N 2.95Å; E938-K942 WeakPolarHBondContact O-CG 3.3Å; E938-K942 PolarHBondContact O-N 2.94Å |
| 939 | E | 76.4 | Confident | 80.6 | Confident | 112 Ų | 112 | 100.7 Ų | 100.7 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 174.7 | -75.8 | -65.3 | 104.7 | 0 | 0 | 111 | R935 S941 K942 L943 | R935-E939 PolarHBondContact O-N 3.25Å; E939-S941 VanDerWaalsContact C-N 3.3Å; E939-S941 PolarHBondContact O-N 3.36Å; E939-K942 PolarHBondContact O-N 3Å; E939-K942 IonicContact OE1-NZ 2.88Å; E939-K942 PolarHBondContact OE1-NZ 2.83Å; E939-L943 WeakPolarHBondContact O-CB 3.41Å; E939-L943 PolarHBondContact O-N 3.18Å |
| 940 | K | 77.1 | Confident | 80.5 | Confident | 124 Ų | 124 | 99.3 Ų | 99.3 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -36.4 | 175.3 | -74.4 | 166.5 | -178.3 | 166.4 | 0 | 112.6 | D936 L943 H944 | D936-K940 VanDerWaalsContact CG-NZ 3.26Å; D936-K940 WeakPolarHBondContact O-CB 3.1Å; D936-K940 WeakPolarHBondContact O-CD 2.98Å; D936-K940 VanDerWaalsContact O-CG 3.3Å; D936-K940 WeakPolarHBondContact O-CG 3.34Å; D936-K940 PolarHBondContact O-N 3.18Å; D936-K940 WeakPolarHBondContact OD1-CE 2.89Å; D936-K940 IonicContact OD1-NZ 2.73Å; D936-K940 PolarHBondContact OD1-NZ 3.33Å; D936-K940 VanDerWaalsContact OD1-NZ 3.12Å; D936-K940 WeakPolarHBondContact OD2-CE 3.28Å; D936-K940 IonicContact OD2-NZ 2.63Å; D936-K940 PolarHBondContact OD2-NZ 3.11Å; K940-L943 PolarHBondContact O-N 3.16Å; K940-H944 WeakPolarHBondContact O-CB 3Å; K940-H944 PolarHBondContact O-N 2.68Å |
| 941 | S | 80.7 | Confident | 80.1 | Confident | 67 Ų | 67 | 101.2 Ų | 101.2 | 47% | 0.469 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 174 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | S937 E938 E939 H944 N945 | S937-S941 WeakPolarHBondContact O-CB 2.84Å; S937-S941 PolarHBondContact O-N 2.87Å; E938-S941 PolarHBondContact O-N 2.95Å; E939-S941 VanDerWaalsContact C-N 3.3Å; E939-S941 PolarHBondContact O-N 3.36Å; S941-H944 PolarHBondContact O-N 2.79Å; S941-N945 WeakPolarHBondContact O-CB 2.9Å; S941-N945 PolarHBondContact O-N 3.1Å; S941-N945 PolarHBondContact O-ND2 3.4Å; S941-N945 VanDerWaalsContact O-ND2 3.11Å |
| 942 | K | 81.7 | Confident | 80 | Confident | 97 Ų | 97 | 102 Ų | 102 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 173.7 | -66.4 | 166.2 | -153.7 | 161.4 | 0 | 111.5 | E938 E939 N945 L946 | E938-K942 WeakPolarHBondContact O-CG 3.3Å; E938-K942 PolarHBondContact O-N 2.94Å; E939-K942 PolarHBondContact O-N 3Å; E939-K942 IonicContact OE1-NZ 2.88Å; E939-K942 PolarHBondContact OE1-NZ 2.83Å; K942-N945 PolarHBondContact O-N 2.77Å; K942-L946 WeakPolarHBondContact O-CG 3.4Å; K942-L946 PolarHBondContact O-N 3.17Å |
| 943 | L | 75.9 | Confident | 79.8 | Confident | 71 Ų | 71 | 100.7 Ų | 100.7 | 37% | 0.372 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | -179.8 | -149.3 | 165 | 0 | 0 | 0 | 110.4 | E939 K940 N945 L946 E947 | E939-L943 WeakPolarHBondContact O-CB 3.41Å; E939-L943 PolarHBondContact O-N 3.18Å; K940-L943 PolarHBondContact O-N 3.16Å; L943-N945 PolarHBondContact O-N 3.23Å; L943-L946 CarbonylContact O-C 3.54Å; L943-L946 WeakPolarHBondContact O-CB 3.18Å; L943-L946 PolarHBondContact O-N 3.06Å; L943-L946 VanDerWaalsContact O-N 3.16Å; L943-E947 HydrophobicContact CD2-CG 4.11Å; L943-E947 WeakPolarHBondContact O-CG 3.22Å; L943-E947 PolarHBondContact O-N 3.04Å |
| 944 | H | 80.4 | Confident | 79.6 | Confident | 120 Ų | 120 | 100.5 Ų | 100.5 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66 | -34.9 | 174.3 | -168.9 | 53.7 | 0 | 0 | 0 | 113.5 | K940 S941 L946 E947 A948 | K940-H944 WeakPolarHBondContact O-CB 3Å; K940-H944 PolarHBondContact O-N 2.68Å; S941-H944 PolarHBondContact O-N 2.79Å; H944-L946 VanDerWaalsContact C-N 3.34Å; H944-E947 IonicContact ND1-OE2 3.97Å; H944-E947 PolarHBondContact ND1-OE2 3.39Å; H944-E947 VanDerWaalsContact ND1-OE2 3.09Å; H944-E947 PolarHBondContact O-N 2.98Å; H944-A948 WeakPolarHBondContact O-CB 3.44Å; H944-A948 PolarHBondContact O-N 2.99Å |
| 945 | N | 81.9 | Confident | 79.3 | Confident | 99 Ų | 99 | 101.2 Ų | 101.2 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -37.5 | 171.9 | -70.4 | -31.8 | 0 | 0 | 0 | 111.7 | S941 K942 L943 A948 E949 | S941-N945 WeakPolarHBondContact O-CB 2.9Å; S941-N945 PolarHBondContact O-N 3.1Å; S941-N945 PolarHBondContact O-ND2 3.4Å; S941-N945 VanDerWaalsContact O-ND2 3.11Å; K942-N945 PolarHBondContact O-N 2.77Å; L943-N945 PolarHBondContact O-N 3.23Å; N945-A948 PolarHBondContact O-N 3.42Å; N945-E949 WeakPolarHBondContact O-CB 3.38Å; N945-E949 PolarHBondContact O-N 2.78Å |
| 946 | L | 78.6 | Confident | 79.1 | Confident | 112 Ų | 112 | 98.8 Ų | 98.8 | 59% | 0.586 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.5 | -40.7 | 174.1 | -73.8 | 166.3 | 0 | 0 | 0 | 112 | K942 L943 H944 A948 E949 Q950 | K942-L946 WeakPolarHBondContact O-CG 3.4Å; K942-L946 PolarHBondContact O-N 3.17Å; L943-L946 CarbonylContact O-C 3.54Å; L943-L946 WeakPolarHBondContact O-CB 3.18Å; L943-L946 PolarHBondContact O-N 3.06Å; L943-L946 VanDerWaalsContact O-N 3.16Å; H944-L946 VanDerWaalsContact C-N 3.34Å; L946-A948 VanDerWaalsContact C-N 3.33Å; L946-E949 PolarHBondContact O-N 3.01Å; L946-Q950 WeakPolarHBondContact O-CB 3.27Å; L946-Q950 PolarHBondContact O-N 2.87Å |
| 947 | E | 76.8 | Confident | 79.2 | Confident | 100 Ų | 100 | 99.9 Ų | 99.9 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 170.7 | -72.7 | 176.8 | 154.6 | 0 | 0 | 111.3 | L943 H944 Q950 K951 | L943-E947 HydrophobicContact CD2-CG 4.11Å; L943-E947 WeakPolarHBondContact O-CG 3.22Å; L943-E947 PolarHBondContact O-N 3.04Å; H944-E947 IonicContact ND1-OE2 3.97Å; H944-E947 PolarHBondContact ND1-OE2 3.39Å; H944-E947 VanDerWaalsContact ND1-OE2 3.09Å; H944-E947 PolarHBondContact O-N 2.98Å; E947-Q950 PolarHBondContact O-N 2.8Å; E947-K951 WeakPolarHBondContact O-CB 3.37Å; E947-K951 PolarHBondContact O-N 2.81Å |
| 948 | A | 80 | Confident | 79 | Confident | 51 Ų | 51 | 99.8 Ų | 99.8 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H944 N945 L946 K951 R952 | H944-A948 WeakPolarHBondContact O-CB 3.44Å; H944-A948 PolarHBondContact O-N 2.99Å; N945-A948 PolarHBondContact O-N 3.42Å; L946-A948 VanDerWaalsContact C-N 3.33Å; A948-K951 PolarHBondContact O-N 3.18Å; A948-R952 WeakPolarHBondContact O-CB 3.2Å; A948-R952 PolarHBondContact O-N 2.8Å |
| 949 | E | 80.6 | Confident | 78.9 | Confident | 103 Ų | 103 | 98.8 Ų | 98.8 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.9 | -39.9 | 175.4 | -170.5 | 158.9 | -124.9 | 0 | 0 | 111.8 | N945 L946 K951 R952 L953 | N945-E949 WeakPolarHBondContact O-CB 3.38Å; N945-E949 PolarHBondContact O-N 2.78Å; L946-E949 PolarHBondContact O-N 3.01Å; E949-K951 VanDerWaalsContact C-N 3.34Å; E949-K951 PolarHBondContact O-N 2.74Å; E949-R952 PolarHBondContact O-N 3.37Å; E949-L953 HydrophobicContact CG-CD1 4.37Å; E949-L953 WeakPolarHBondContact O-CB 3.32Å; E949-L953 VanDerWaalsContact O-CG 3.27Å; E949-L953 WeakPolarHBondContact O-CG 3.48Å; E949-L953 PolarHBondContact O-N 2.77Å |
| 950 | Q | 77.8 | Confident | 78.8 | Confident | 106 Ų | 106 | 98.7 Ų | 98.7 | 50% | 0.495 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 170.8 | -176.7 | -176.5 | 8.4 | 0 | 0 | 111.3 | L946 E947 L953 L954 | L946-Q950 WeakPolarHBondContact O-CB 3.27Å; L946-Q950 PolarHBondContact O-N 2.87Å; E947-Q950 PolarHBondContact O-N 2.8Å; Q950-L953 CarbonylContact O-C 3.39Å; Q950-L953 PolarHBondContact O-N 3.33Å; Q950-L954 HydrophobicContact CG-CD1 4.3Å; Q950-L954 WeakPolarHBondContact O-CG 2.9Å; Q950-L954 PolarHBondContact O-N 2.84Å |
| 951 | K | 78.2 | Confident | 78.8 | Confident | 141 Ų | 141 | 95.6 Ų | 95.6 | 61% | 0.613 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.8 | -39.4 | 178.2 | -164.6 | 173.6 | -172 | 178.1 | 0 | 111.7 | E947 A948 E949 L953 L954 E955 | E947-K951 WeakPolarHBondContact O-CB 3.37Å; E947-K951 PolarHBondContact O-N 2.81Å; A948-K951 PolarHBondContact O-N 3.18Å; E949-K951 VanDerWaalsContact C-N 3.34Å; E949-K951 PolarHBondContact O-N 2.74Å; K951-L953 VanDerWaalsContact C-N 3.32Å; K951-L954 PolarHBondContact O-N 2.83Å; K951-E955 PolarHBondContact O-N 2.62Å |
| 952 | R | 82.7 | Confident | 78.6 | Confident | 128 Ų | 128 | 97.3 Ų | 97.3 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.1 | -32.8 | 172 | -154 | -164.1 | 78.5 | -150.2 | -3.9 | 112.1 | A948 E949 Q956 | A948-R952 WeakPolarHBondContact O-CB 3.2Å; A948-R952 PolarHBondContact O-N 2.8Å; E949-R952 PolarHBondContact O-N 3.37Å; R952-Q956 WeakPolarHBondContact O-CB 2.87Å; R952-Q956 VanDerWaalsContact O-CG 3.26Å; R952-Q956 WeakPolarHBondContact O-CG 3.33Å; R952-Q956 PolarHBondContact O-N 3.14Å |
| 953 | L | 77 | Confident | 78.4 | Confident | 86 Ų | 86 | 98.3 Ų | 98.3 | 45% | 0.45 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71 | -34.1 | 172 | -74.9 | 168.1 | 0 | 0 | 0 | 111.9 | E949 Q950 K951 Q956 I957 | E949-L953 HydrophobicContact CG-CD1 4.37Å; E949-L953 WeakPolarHBondContact O-CB 3.32Å; E949-L953 VanDerWaalsContact O-CG 3.27Å; E949-L953 WeakPolarHBondContact O-CG 3.48Å; E949-L953 PolarHBondContact O-N 2.77Å; Q950-L953 CarbonylContact O-C 3.39Å; Q950-L953 PolarHBondContact O-N 3.33Å; K951-L953 VanDerWaalsContact C-N 3.32Å; L953-Q956 PolarHBondContact O-N 2.78Å; L953-I957 WeakPolarHBondContact O-CB 2.77Å; L953-I957 WeakPolarHBondContact O-CD1 3.34Å; L953-I957 WeakPolarHBondContact O-CG1 3.28Å; L953-I957 PolarHBondContact O-N 3.02Å |
| 954 | L | 78 | Confident | 78.3 | Confident | 101 Ų | 101 | 99.4 Ų | 99.4 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.8 | -40.4 | 171.9 | -75.3 | 168.2 | 0 | 0 | 0 | 111.9 | Q950 K951 I957 S958 | Q950-L954 HydrophobicContact CG-CD1 4.3Å; Q950-L954 WeakPolarHBondContact O-CG 2.9Å; Q950-L954 PolarHBondContact O-N 2.84Å; K951-L954 PolarHBondContact O-N 2.83Å; L954-I957 CarbonylContact O-C 3.48Å; L954-I957 PolarHBondContact O-N 2.94Å; L954-S958 WeakPolarHBondContact O-CB 3.17Å; L954-S958 PolarHBondContact O-N 3.48Å |
| 955 | E | 78.6 | Confident | 78.1 | Confident | 116 Ų | 116 | 99.5 Ų | 99.5 | 54% | 0.542 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 168.7 | -76.3 | 177.1 | 155.5 | 0 | 0 | 110.8 | K951 I957 S958 D959 | K951-E955 PolarHBondContact O-N 2.62Å; E955-I957 VanDerWaalsContact C-N 3.33Å; E955-I957 PolarHBondContact O-N 2.67Å; E955-S958 CarbonylContact O-C 3.6Å; E955-S958 PolarHBondContact O-N 3.27Å; E955-S958 VanDerWaalsContact O-N 3.15Å; E955-D959 WeakPolarHBondContact O-CB 3.09Å; E955-D959 PolarHBondContact O-N 2.93Å |
| 956 | Q | 79.4 | Confident | 77.9 | Confident | 85 Ų | 85 | 99.7 Ų | 99.7 | 40% | 0.397 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -31.3 | 175.3 | -73.9 | -174.9 | -62 | 0 | 0 | 113.2 | R952 L953 L960 | R952-Q956 WeakPolarHBondContact O-CB 2.87Å; R952-Q956 VanDerWaalsContact O-CG 3.26Å; R952-Q956 WeakPolarHBondContact O-CG 3.33Å; R952-Q956 PolarHBondContact O-N 3.14Å; L953-Q956 PolarHBondContact O-N 2.78Å; Q956-L960 WeakPolarHBondContact O-CB 3Å; Q956-L960 WeakPolarHBondContact O-CD1 3.43Å; Q956-L960 WeakPolarHBondContact O-CG 3.04Å; Q956-L960 PolarHBondContact O-N 3Å |
| 957 | I | 76.9 | Confident | 77.6 | Confident | 98 Ų | 98 | 98.3 Ų | 98.3 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.9 | -35.1 | 172 | -73.3 | 163.3 | 0 | 0 | 0 | 110.6 | L953 L954 E955 S961 | L953-I957 WeakPolarHBondContact O-CB 2.77Å; L953-I957 WeakPolarHBondContact O-CD1 3.34Å; L953-I957 WeakPolarHBondContact O-CG1 3.28Å; L953-I957 PolarHBondContact O-N 3.02Å; L954-I957 CarbonylContact O-C 3.48Å; L954-I957 PolarHBondContact O-N 2.94Å; E955-I957 VanDerWaalsContact C-N 3.33Å; E955-I957 PolarHBondContact O-N 2.67Å; I957-S961 WeakPolarHBondContact O-CB 3.2Å; I957-S961 PolarHBondContact O-N 3.26Å; I957-S961 PolarHBondContact O-OG 3.23Å |
| 958 | S | 79 | Confident | 77.4 | Confident | 63 Ų | 63 | 98.3 Ų | 98.3 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.7 | -51.5 | 173.2 | -156.1 | 0 | 0 | 0 | 0 | 110.7 | L954 E955 L960 S961 D962 | L954-S958 WeakPolarHBondContact O-CB 3.17Å; L954-S958 PolarHBondContact O-N 3.48Å; E955-S958 CarbonylContact O-C 3.6Å; E955-S958 PolarHBondContact O-N 3.27Å; E955-S958 VanDerWaalsContact O-N 3.15Å; S958-L960 PolarHBondContact O-N 2.94Å; S958-S961 CarbonylContact O-C 3.55Å; S958-S961 WeakPolarHBondContact O-CA 3.29Å; S958-S961 PolarHBondContact O-N 3.06Å; S958-D962 WeakPolarHBondContact O-CB 3.2Å; S958-D962 PolarHBondContact O-N 3.35Å |
| 959 | D | 78.7 | Confident | 77.1 | Confident | 95 Ų | 95 | 100.7 Ų | 100.7 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -54.5 | -40.5 | 173.6 | -84.4 | -12.7 | 0 | 0 | 0 | 111.7 | E955 Q963 | E955-D959 WeakPolarHBondContact O-CB 3.09Å; E955-D959 PolarHBondContact O-N 2.93Å; D959-Q963 WeakPolarHBondContact O-CB 3.33Å; D959-Q963 WeakPolarHBondContact O-CG 3.18Å; D959-Q963 PolarHBondContact O-N 2.74Å; D959-Q963 PolarHBondContact O-NE2 3.25Å; D959-Q963 VanDerWaalsContact O-NE2 3.15Å |
| 960 | L | 75.3 | Confident | 76.7 | Confident | 109 Ų | 109 | 100.3 Ų | 100.3 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -75 | -25.7 | 175.6 | -75.3 | 170.7 | 0 | 0 | 0 | 113.1 | Q956 S958 L964 | Q956-L960 WeakPolarHBondContact O-CB 3Å; Q956-L960 WeakPolarHBondContact O-CD1 3.43Å; Q956-L960 WeakPolarHBondContact O-CG 3.04Å; Q956-L960 PolarHBondContact O-N 3Å; S958-L960 PolarHBondContact O-N 2.94Å; L960-L964 WeakPolarHBondContact O-CB 3.09Å; L960-L964 PolarHBondContact O-N 2.93Å |
| 961 | S | 77.5 | Confident | 76.1 | Confident | 59 Ų | 59 | 101.1 Ų | 101.1 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -82.1 | -38.5 | 176.7 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | I957 S958 L964 E965 | I957-S961 WeakPolarHBondContact O-CB 3.2Å; I957-S961 PolarHBondContact O-N 3.26Å; I957-S961 PolarHBondContact O-OG 3.23Å; S958-S961 CarbonylContact O-C 3.55Å; S958-S961 WeakPolarHBondContact O-CA 3.29Å; S958-S961 PolarHBondContact O-N 3.06Å; S961-L964 CarbonylContact O-C 3.48Å; S961-L964 PolarHBondContact O-N 2.85Å; S961-E965 WeakPolarHBondContact O-CB 3.06Å; S961-E965 PolarHBondContact O-N 2.96Å |
| 962 | D | 76.7 | Confident | 75.6 | Confident | 104 Ų | 104 | 100.9 Ų | 100.9 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 168.7 | -71.8 | 16.8 | 0 | 0 | 0 | 109.9 | S958 E965 L966 | S958-D962 WeakPolarHBondContact O-CB 3.2Å; S958-D962 PolarHBondContact O-N 3.35Å; D962-E965 PolarHBondContact O-N 3.44Å; D962-L966 VanDerWaalsContact O-CB 3.27Å; D962-L966 WeakPolarHBondContact O-CB 3.3Å; D962-L966 PolarHBondContact O-N 2.88Å |
| 963 | Q | 76.5 | Confident | 75 | Confident | 118 Ų | 118 | 102.2 Ų | 102.2 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.2 | -36.9 | 170.6 | -78.4 | 170.1 | 60.9 | 0 | 0 | 112.2 | D959 L966 E967 | D959-Q963 WeakPolarHBondContact O-CB 3.33Å; D959-Q963 WeakPolarHBondContact O-CG 3.18Å; D959-Q963 PolarHBondContact O-N 2.74Å; D959-Q963 PolarHBondContact O-NE2 3.25Å; D959-Q963 VanDerWaalsContact O-NE2 3.15Å; Q963-L966 PolarHBondContact O-N 2.84Å; Q963-E967 VanDerWaalsContact O-CB 3.3Å; Q963-E967 WeakPolarHBondContact O-CB 3.36Å; Q963-E967 PolarHBondContact O-N 3.47Å |
| 964 | L | 73.4 | Confident | 74.4 | Confident | 94 Ų | 94 | 102.1 Ų | 102.1 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.6 | -40.6 | 176 | -167.5 | 76.2 | 0 | 0 | 0 | 111.1 | L960 S961 L966 E967 E968 | L960-L964 WeakPolarHBondContact O-CB 3.09Å; L960-L964 PolarHBondContact O-N 2.93Å; S961-L964 CarbonylContact O-C 3.48Å; S961-L964 PolarHBondContact O-N 2.85Å; L964-L966 VanDerWaalsContact C-N 3.33Å; L964-E967 CarbonylContact O-C 3.37Å; L964-E967 WeakPolarHBondContact O-CA 3.04Å; L964-E967 PolarHBondContact O-N 3.15Å; L964-E968 VanDerWaalsContact O-CB 3.31Å; L964-E968 WeakPolarHBondContact O-CB 3.37Å; L964-E968 WeakPolarHBondContact O-CG 3.37Å; L964-E968 PolarHBondContact O-N 2.87Å |
| 965 | E | 76.5 | Confident | 73.6 | Confident | 122 Ų | 122 | 102.4 Ų | 102.4 | 57% | 0.57 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.4 | -35.4 | 175.5 | -164 | -174.3 | -135 | 0 | 0 | 110.4 | S961 D962 E968 Q969 | S961-E965 WeakPolarHBondContact O-CB 3.06Å; S961-E965 PolarHBondContact O-N 2.96Å; D962-E965 PolarHBondContact O-N 3.44Å; E965-E968 CarbonylContact O-C 3.51Å; E965-E968 PolarHBondContact O-N 2.9Å; E965-Q969 WeakPolarHBondContact O-CB 2.99Å; E965-Q969 WeakPolarHBondContact O-CG 3.31Å; E965-Q969 PolarHBondContact O-N 3.13Å |
| 966 | L | 78 | Confident | 73 | Confident | 102 Ų | 102 | 102.2 Ų | 102.2 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.7 | -38 | 170.7 | -153.9 | 99.2 | 0 | 0 | 0 | 111.8 | D962 Q963 L964 E968 Q970 | D962-L966 VanDerWaalsContact O-CB 3.27Å; D962-L966 WeakPolarHBondContact O-CB 3.3Å; D962-L966 PolarHBondContact O-N 2.88Å; Q963-L966 PolarHBondContact O-N 2.84Å; L964-L966 VanDerWaalsContact C-N 3.33Å; L966-E968 VanDerWaalsContact C-N 3.29Å; L966-Q970 WeakPolarHBondContact O-CB 3.23Å; L966-Q970 VanDerWaalsContact O-CG 3.23Å; L966-Q970 WeakPolarHBondContact O-CG 3.08Å; L966-Q970 PolarHBondContact O-N 2.89Å |
| 967 | E | 72.5 | Confident | 72.2 | Confident | 83 Ų | 83 | 103.5 Ų | 103.5 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.5 | -21.5 | 169 | -104.1 | -96.7 | 124.6 | 0 | 0 | 112.3 | Q963 L964 R971 | Q963-E967 VanDerWaalsContact O-CB 3.3Å; Q963-E967 WeakPolarHBondContact O-CB 3.36Å; Q963-E967 PolarHBondContact O-N 3.47Å; L964-E967 CarbonylContact O-C 3.37Å; L964-E967 WeakPolarHBondContact O-CA 3.04Å; L964-E967 PolarHBondContact O-N 3.15Å; E967-R971 WeakPolarHBondContact O-CA 3.41Å; E967-R971 WeakPolarHBondContact O-CB 3.33Å; E967-R971 VanDerWaalsContact O-CG 3.23Å; E967-R971 WeakPolarHBondContact O-CG 3.37Å; E967-R971 PolarHBondContact O-N 3.46Å; E967-R971 IonicContact OE2-CZ 2.6Å; E967-R971 IonicContact OE2-NH1 3.7Å; E967-R971 PolarHBondContact OE2-NH1 2.92Å; E967-R971 IonicContact OE2-NH2 3.23Å; E967-R971 PolarHBondContact OE2-NH2 3.26Å; E967-R971 VanDerWaalsContact OE2-NH2 3.15Å |
| 968 | E | 72.6 | Confident | 71.3 | Confident | 100 Ų | 100 | 103.7 Ų | 103.7 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -89.4 | -35.5 | 176.7 | -80 | -159.9 | 160.2 | 0 | 0 | 111.7 | L964 E965 L966 R971 Q972 | L964-E968 VanDerWaalsContact O-CB 3.31Å; L964-E968 WeakPolarHBondContact O-CB 3.37Å; L964-E968 WeakPolarHBondContact O-CG 3.37Å; L964-E968 PolarHBondContact O-N 2.87Å; E965-E968 CarbonylContact O-C 3.51Å; E965-E968 PolarHBondContact O-N 2.9Å; L966-E968 VanDerWaalsContact C-N 3.29Å; E968-R971 CarbonylContact O-C 3.52Å; E968-R971 PolarHBondContact O-N 3.36Å; E968-Q972 VanDerWaalsContact O-CB 3.32Å; E968-Q972 WeakPolarHBondContact O-CB 3.44Å; E968-Q972 VanDerWaalsContact O-CG 3.26Å; E968-Q972 WeakPolarHBondContact O-CG 3.49Å; E968-Q972 PolarHBondContact O-N 2.86Å |
| 969 | Q | 73.3 | Confident | 70.4 | Confident | 102 Ų | 102 | 104.4 Ų | 104.4 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.4 | -38.7 | 165.5 | -69.6 | -177.9 | 35.3 | 0 | 0 | 110.8 | E965 K973 | E965-Q969 WeakPolarHBondContact O-CB 2.99Å; E965-Q969 WeakPolarHBondContact O-CG 3.31Å; E965-Q969 PolarHBondContact O-N 3.13Å; Q969-K973 PolarHBondContact O-N 3.23Å; Q969-K973 VanDerWaalsContact O-N 3.1Å |
| 970 | Q | 72.6 | Confident | 69.7 | Low | 95 Ų | 95 | 103.1 Ų | 103.1 | 44% | 0.444 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 169.2 | -75.7 | -173.8 | 54.6 | 0 | 0 | 111.4 | L966 Q972 K973 L974 | L966-Q970 WeakPolarHBondContact O-CB 3.23Å; L966-Q970 VanDerWaalsContact O-CG 3.23Å; L966-Q970 WeakPolarHBondContact O-CG 3.08Å; L966-Q970 PolarHBondContact O-N 2.89Å; Q970-Q972 PolarHBondContact O-N 2.87Å; Q970-K973 PolarHBondContact O-N 2.89Å; Q970-L974 WeakPolarHBondContact O-CA 2.87Å; Q970-L974 WeakPolarHBondContact O-CB 3.18Å; Q970-L974 VanDerWaalsContact O-CG 3.28Å; Q970-L974 WeakPolarHBondContact O-CG 3.33Å; Q970-L974 PolarHBondContact O-N 3.33Å |
| 971 | R | 65.4 | Low | 68.9 | Low | 122 Ų | 122 | 101.7 Ų | 101.7 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 173.3 | -90.1 | -171.3 | 178 | 78.3 | 18.6 | 111.5 | E967 E968 L974 Q975 | E967-R971 WeakPolarHBondContact O-CA 3.41Å; E967-R971 WeakPolarHBondContact O-CB 3.33Å; E967-R971 VanDerWaalsContact O-CG 3.23Å; E967-R971 WeakPolarHBondContact O-CG 3.37Å; E967-R971 PolarHBondContact O-N 3.46Å; E967-R971 IonicContact OE2-CZ 2.6Å; E967-R971 IonicContact OE2-NH1 3.7Å; E967-R971 PolarHBondContact OE2-NH1 2.92Å; E967-R971 IonicContact OE2-NH2 3.23Å; E967-R971 PolarHBondContact OE2-NH2 3.26Å; E967-R971 VanDerWaalsContact OE2-NH2 3.15Å; E968-R971 CarbonylContact O-C 3.52Å; E968-R971 PolarHBondContact O-N 3.36Å; R971-L974 CarbonylContact O-C 2.93Å; R971-L974 PolarHBondContact O-N 3.41Å; R971-Q975 WeakPolarHBondContact O-CA 2.89Å; R971-Q975 WeakPolarHBondContact O-CB 2.92Å; R971-Q975 PolarHBondContact O-N 3.45Å |
| 972 | Q | 67.6 | Low | 67.8 | Low | 136 Ų | 136 | 102.7 Ų | 102.7 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.6 | -43.7 | 179 | -77.3 | -178.4 | 25.8 | 0 | 0 | 111.1 | E968 Q970 Q975 V976 | E968-Q972 VanDerWaalsContact O-CB 3.32Å; E968-Q972 WeakPolarHBondContact O-CB 3.44Å; E968-Q972 VanDerWaalsContact O-CG 3.26Å; E968-Q972 WeakPolarHBondContact O-CG 3.49Å; E968-Q972 PolarHBondContact O-N 2.86Å; Q970-Q972 PolarHBondContact O-N 2.87Å; Q972-Q975 PolarHBondContact O-N 2.95Å; Q972-Q975 VanDerWaalsContact O-N 3.1Å; Q972-V976 PolarHBondContact O-N 2.9Å |
| 973 | K | 70.1 | Confident | 66.9 | Low | 156 Ų | 156 | 105.2 Ų | 105.2 | 68% | 0.678 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.6 | -51.2 | 169.3 | -77.8 | 175.3 | 177 | 167.9 | 0 | 111.5 | Q969 Q970 Q975 V976 E977 | Q969-K973 PolarHBondContact O-N 3.23Å; Q969-K973 VanDerWaalsContact O-N 3.1Å; Q970-K973 PolarHBondContact O-N 2.89Å; K973-Q975 PolarHBondContact O-N 2.82Å; K973-Q975 VanDerWaalsContact O-N 3.11Å; K973-V976 PolarHBondContact O-N 2.75Å; K973-E977 PolarHBondContact O-N 3.37Å |
| 974 | L | 64.1 | Low | 66 | Low | 84 Ų | 84 | 106 Ų | 106 | 44% | 0.44 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.8 | -2.2 | 174 | -72.4 | 168.5 | 0 | 0 | 0 | 113.1 | Q970 R971 K978 | Q970-L974 WeakPolarHBondContact O-CA 2.87Å; Q970-L974 WeakPolarHBondContact O-CB 3.18Å; Q970-L974 VanDerWaalsContact O-CG 3.28Å; Q970-L974 WeakPolarHBondContact O-CG 3.33Å; Q970-L974 PolarHBondContact O-N 3.33Å; R971-L974 CarbonylContact O-C 2.93Å; R971-L974 PolarHBondContact O-N 3.41Å; L974-K978 VanDerWaalsContact O-CA 3.28Å; L974-K978 WeakPolarHBondContact O-CA 3.25Å; L974-K978 WeakPolarHBondContact O-CB 3.49Å; L974-K978 PolarHBondContact O-N 3.31Å |
| 975 | Q | 61.4 | Low | 65.1 | Low | 108 Ų | 108 | 104.4 Ų | 104.4 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -107.9 | -26.1 | 177.7 | -171.9 | 156.8 | -28.3 | 0 | 0 | 111.2 | R971 Q972 K973 T979 | R971-Q975 WeakPolarHBondContact O-CA 2.89Å; R971-Q975 WeakPolarHBondContact O-CB 2.92Å; R971-Q975 PolarHBondContact O-N 3.45Å; Q972-Q975 PolarHBondContact O-N 2.95Å; Q972-Q975 VanDerWaalsContact O-N 3.1Å; K973-Q975 PolarHBondContact O-N 2.82Å; K973-Q975 VanDerWaalsContact O-N 3.11Å; Q975-T979 WeakPolarHBondContact O-CB 3.45Å; Q975-T979 WeakPolarHBondContact O-CG2 3.26Å; Q975-T979 PolarHBondContact O-N 2.78Å; Q975-T979 PolarHBondContact O-OG1 3.33Å |
| 976 | V | 65.4 | Low | 64.2 | Low | 112 Ų | 112 | 102.7 Ų | 102.7 | 68% | 0.679 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.5 | -42.8 | 154.2 | 179 | 0 | 0 | 0 | 0 | 110.1 | Q972 K973 T979 S980 | Q972-V976 PolarHBondContact O-N 2.9Å; K973-V976 PolarHBondContact O-N 2.75Å; V976-T979 PolarHBondContact O-OG1 2.8Å; V976-T979 VanDerWaalsContact O-OG1 3.12Å; V976-S980 PolarHBondContact O-N 3.43Å |
| 977 | E | 62.6 | Low | 63.2 | Low | 111 Ų | 111 | 105.5 Ų | 105.5 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -73.3 | -38.9 | 172.9 | -65.5 | -166.3 | 142.6 | 0 | 0 | 112.7 | K973 T979 S980 I981 | K973-E977 PolarHBondContact O-N 3.37Å; E977-T979 PolarHBondContact O-N 3.26Å; E977-S980 CarbonylContact O-C 3.53Å; E977-S980 WeakPolarHBondContact O-CA 3.4Å; E977-S980 WeakPolarHBondContact O-CB 3.27Å; E977-S980 PolarHBondContact O-N 2.8Å; E977-S980 VanDerWaalsContact O-N 3.12Å; E977-I981 HydrophobicContact CB-CD1 4.27Å; E977-I981 VanDerWaalsContact O-CB 3.27Å; E977-I981 WeakPolarHBondContact O-CB 3.4Å; E977-I981 VanDerWaalsContact O-CG1 3.26Å; E977-I981 WeakPolarHBondContact O-CG1 3.21Å; E977-I981 PolarHBondContact O-N 3.39Å |
| 978 | K | 58.7 | Low | 62.3 | Low | 102 Ų | 102 | 107.6 Ų | 107.6 | 44% | 0.443 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70 | -27.6 | 176.8 | 173.3 | 176.7 | 170.9 | -70.4 | 0 | 112.6 | L974 S980 I981 E982 | L974-K978 VanDerWaalsContact O-CA 3.28Å; L974-K978 WeakPolarHBondContact O-CA 3.25Å; L974-K978 WeakPolarHBondContact O-CB 3.49Å; L974-K978 PolarHBondContact O-N 3.31Å; K978-S980 VanDerWaalsContact C-N 3.34Å; K978-I981 CarbonylContact O-C 3.57Å; K978-I981 PolarHBondContact O-N 3.45Å; K978-E982 VanDerWaalsContact CE-OE1 3.31Å; K978-E982 WeakPolarHBondContact CE-OE1 2.93Å; K978-E982 VanDerWaalsContact CG-CD 3.49Å; K978-E982 HydrophobicContact CG-CG 3.75Å; K978-E982 IonicContact NZ-OE1 3.18Å; K978-E982 PolarHBondContact NZ-OE1 2.93Å; K978-E982 WeakPolarHBondContact O-CA 3.15Å; K978-E982 WeakPolarHBondContact O-CB 3.28Å; K978-E982 WeakPolarHBondContact O-CG 2.97Å; K978-E982 PolarHBondContact O-N 3.33Å |
| 979 | T | 59.6 | Low | 61.4 | Low | 78 Ų | 78 | 106.8 Ų | 106.8 | 48% | 0.479 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.8 | -32.4 | 168.2 | 44.6 | 0 | 0 | 0 | 0 | 112.3 | Q975 V976 E977 | Q975-T979 WeakPolarHBondContact O-CB 3.45Å; Q975-T979 WeakPolarHBondContact O-CG2 3.26Å; Q975-T979 PolarHBondContact O-N 2.78Å; Q975-T979 PolarHBondContact O-OG1 3.33Å; V976-T979 PolarHBondContact O-OG1 2.8Å; V976-T979 VanDerWaalsContact O-OG1 3.12Å; E977-T979 PolarHBondContact O-N 3.26Å |
| 980 | S | 63.4 | Low | 60.7 | Low | 68 Ų | 68 | 108.1 Ų | 108.1 | 48% | 0.476 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.7 | -32.7 | 170.6 | -178.5 | 0 | 0 | 0 | 0 | 113.3 | V976 E977 K978 | V976-S980 PolarHBondContact O-N 3.43Å; E977-S980 CarbonylContact O-C 3.53Å; E977-S980 WeakPolarHBondContact O-CA 3.4Å; E977-S980 WeakPolarHBondContact O-CB 3.27Å; E977-S980 PolarHBondContact O-N 2.8Å; E977-S980 VanDerWaalsContact O-N 3.12Å; K978-S980 VanDerWaalsContact C-N 3.34Å |
| 981 | I | 59.6 | Low | 60 | Low | 79 Ų | 79 | 106 Ų | 106 | 41% | 0.405 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -90 | -26.3 | -178.2 | -70 | 168.3 | 0 | 0 | 0 | 111.6 | E977 K978 Q983 K984 V985 | E977-I981 HydrophobicContact CB-CD1 4.27Å; E977-I981 VanDerWaalsContact O-CB 3.27Å; E977-I981 WeakPolarHBondContact O-CB 3.4Å; E977-I981 VanDerWaalsContact O-CG1 3.26Å; E977-I981 WeakPolarHBondContact O-CG1 3.21Å; E977-I981 PolarHBondContact O-N 3.39Å; K978-I981 CarbonylContact O-C 3.57Å; K978-I981 PolarHBondContact O-N 3.45Å; I981-Q983 VanDerWaalsContact C-N 3.3Å; I981-Q983 PolarHBondContact O-N 2.82Å; I981-K984 CarbonylContact O-C 3.46Å; I981-K984 WeakPolarHBondContact O-CA 3.37Å; I981-K984 WeakPolarHBondContact O-CB 2.75Å; I981-K984 PolarHBondContact O-N 2.83Å; I981-V985 HydrophobicContact CG2-CG2 3.64Å; I981-V985 WeakPolarHBondContact O-CB 3.5Å; I981-V985 WeakPolarHBondContact O-CG2 3.26Å; I981-V985 PolarHBondContact O-N 3.1Å |
| 982 | E | 53.1 | Low | 59.4 | Low | 81 Ų | 81 | 105.5 Ų | 105.5 | 38% | 0.379 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -36.7 | 173.5 | -84.6 | 165.1 | 153.5 | 0 | 0 | 110.8 | K978 K984 V985 S986 | K978-E982 VanDerWaalsContact CE-OE1 3.31Å; K978-E982 WeakPolarHBondContact CE-OE1 2.93Å; K978-E982 VanDerWaalsContact CG-CD 3.49Å; K978-E982 HydrophobicContact CG-CG 3.75Å; K978-E982 IonicContact NZ-OE1 3.18Å; K978-E982 PolarHBondContact NZ-OE1 2.93Å; K978-E982 WeakPolarHBondContact O-CA 3.15Å; K978-E982 WeakPolarHBondContact O-CB 3.28Å; K978-E982 WeakPolarHBondContact O-CG 2.97Å; K978-E982 PolarHBondContact O-N 3.33Å; E982-K984 PolarHBondContact O-N 3.46Å; E982-K984 VanDerWaalsContact O-N 3.15Å; E982-V985 PolarHBondContact O-N 3.41Å; E982-S986 VanDerWaalsContact O-CB 3.24Å; E982-S986 WeakPolarHBondContact O-CB 2.99Å; E982-S986 PolarHBondContact O-N 3.43Å |
| 983 | Q | 57.8 | Low | 59 | Low | 157 Ų | 157 | 102.4 Ų | 102.4 | 73% | 0.734 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.6 | -17 | 169.7 | -67.1 | -171.4 | -4.5 | 0 | 0 | 113.4 | I981 | I981-Q983 VanDerWaalsContact C-N 3.3Å; I981-Q983 PolarHBondContact O-N 2.82Å |
| 984 | K | 57.7 | Low | 58.5 | Low | 133 Ų | 133 | 99 Ų | 99 | 58% | 0.578 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -102.7 | -34.1 | 173.9 | -65.4 | 175.8 | -180 | 169.2 | 0 | 113.2 | I981 E982 S986 Q987 | I981-K984 CarbonylContact O-C 3.46Å; I981-K984 WeakPolarHBondContact O-CA 3.37Å; I981-K984 WeakPolarHBondContact O-CB 2.75Å; I981-K984 PolarHBondContact O-N 2.83Å; E982-K984 PolarHBondContact O-N 3.46Å; E982-K984 VanDerWaalsContact O-N 3.15Å; K984-S986 VanDerWaalsContact C-N 3.31Å; K984-Q987 WeakPolarHBondContact O-CB 3.08Å; K984-Q987 PolarHBondContact O-N 2.72Å |
| 985 | V | 55.4 | Low | 58.2 | Low | 61 Ų | 61 | 100 Ų | 100 | 37% | 0.37 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73.4 | -27.2 | 176.9 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | I981 E982 Q987 L988 N989 | I981-V985 HydrophobicContact CG2-CG2 3.64Å; I981-V985 WeakPolarHBondContact O-CB 3.5Å; I981-V985 WeakPolarHBondContact O-CG2 3.26Å; I981-V985 PolarHBondContact O-N 3.1Å; E982-V985 PolarHBondContact O-N 3.41Å; V985-Q987 PolarHBondContact O-N 3.49Å; V985-Q987 VanDerWaalsContact O-N 3.08Å; V985-L988 CarbonylContact O-C 3.57Å; V985-L988 PolarHBondContact O-N 2.91Å; V985-N989 WeakPolarHBondContact O-CB 2.9Å; V985-N989 PolarHBondContact O-N 2.86Å |
| 986 | S | 56.2 | Low | 58 | Low | 87 Ų | 87 | 98 Ų | 98 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -23.6 | 163.5 | -176.7 | 0 | 0 | 0 | 0 | 113.2 | E982 K984 | E982-S986 VanDerWaalsContact O-CB 3.24Å; E982-S986 WeakPolarHBondContact O-CB 2.99Å; E982-S986 PolarHBondContact O-N 3.43Å; K984-S986 VanDerWaalsContact C-N 3.31Å |
| 987 | Q | 57.8 | Low | 57.7 | Low | 161 Ų | 161 | 98 Ų | 98 | 75% | 0.752 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 0.4 | 175.2 | -57.7 | -177.1 | -13.2 | 0 | 0 | 113.5 | K984 V985 | K984-Q987 WeakPolarHBondContact O-CB 3.08Å; K984-Q987 PolarHBondContact O-N 2.72Å; V985-Q987 PolarHBondContact O-N 3.49Å; V985-Q987 VanDerWaalsContact O-N 3.08Å |
| 988 | L | 53.3 | Low | 57.5 | Low | 127 Ų | 127 | 100.2 Ų | 100.2 | 67% | 0.665 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | -19.2 | 176.9 | -68.6 | 171.6 | 0 | 0 | 0 | 112.8 | V985 D990 G991 Y992 | V985-L988 CarbonylContact O-C 3.57Å; V985-L988 PolarHBondContact O-N 2.91Å; L988-D990 VanDerWaalsContact C-N 3.26Å; L988-D990 PolarHBondContact O-N 3.02Å; L988-G991 WeakPolarHBondContact O-CA 3.23Å; L988-G991 PolarHBondContact O-N 3.45Å; L988-Y992 PolarHBondContact O-N 2.88Å |
| 989 | N | 55.1 | Low | 57.4 | Low | 82 Ų | 82 | 100.6 Ų | 100.6 | 44% | 0.439 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.9 | -27.7 | -177.1 | -146 | 60.5 | 0 | 0 | 0 | 112.7 | V985 G991 Y992 V993 | V985-N989 WeakPolarHBondContact O-CB 2.9Å; V985-N989 PolarHBondContact O-N 2.86Å; N989-G991 PolarHBondContact O-N 3.27Å; N989-Y992 CarbonylContact O-C 3.56Å; N989-Y992 VanDerWaalsContact O-CA 3.31Å; N989-Y992 WeakPolarHBondContact O-CA 3.38Å; N989-Y992 WeakPolarHBondContact O-CB 3.27Å; N989-Y992 PolarHBondContact O-N 2.91Å; N989-V993 PolarHBondContact O-N 3.45Å |
| 990 | D | 57.4 | Low | 57.4 | Low | 130 Ų | 130 | 99.9 Ų | 99.9 | 70% | 0.695 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.8 | -28.9 | 169.8 | -71.3 | -17.1 | 0 | 0 | 0 | 112.7 | L988 | L988-D990 VanDerWaalsContact C-N 3.26Å; L988-D990 PolarHBondContact O-N 3.02Å |
| 991 | G | 57.7 | Low | 57.2 | Low | 52 Ų | 52 | 103.5 Ų | 103.5 | 54% | 0.536 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -74.3 | -30.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L988 N989 | L988-G991 WeakPolarHBondContact O-CA 3.23Å; L988-G991 PolarHBondContact O-N 3.45Å; N989-G991 PolarHBondContact O-N 3.27Å |
| 992 | Y | 52.7 | Low | 56.9 | Low | 110 Ų | 110 | 105.2 Ų | 105.2 | 43% | 0.431 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 171.4 | -156.2 | -103.6 | 0 | 0 | 0 | 110.3 | L988 N989 S994 I995 E996 | L988-Y992 PolarHBondContact O-N 2.88Å; N989-Y992 CarbonylContact O-C 3.56Å; N989-Y992 VanDerWaalsContact O-CA 3.31Å; N989-Y992 WeakPolarHBondContact O-CA 3.38Å; N989-Y992 WeakPolarHBondContact O-CB 3.27Å; N989-Y992 PolarHBondContact O-N 2.91Å; Y992-S994 PolarHBondContact O-N 3.19Å; Y992-I995 CarbonylContact O-C 3.41Å; Y992-I995 WeakPolarHBondContact O-CA 3.5Å; Y992-I995 WeakPolarHBondContact O-CB 3.34Å; Y992-I995 PolarHBondContact O-N 3.05Å; Y992-E996 HydrophobicContact CD1-CB 3.87Å; Y992-E996 HydrophobicContact CD1-CG 4Å; Y992-E996 HydrophobicContact CE1-CB 4.23Å; Y992-E996 HydrophobicContact CE1-CG 4.09Å; Y992-E996 WeakPolarHBondContact O-CB 3.22Å; Y992-E996 PolarHBondContact O-N 2.67Å |
| 993 | V | 59.2 | Low | 57.2 | Low | 71 Ų | 71 | 103 Ų | 103 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -47.1 | -37.3 | -177.8 | 178.6 | 0 | 0 | 0 | 0 | 114 | N989 E996 D997 | N989-V993 PolarHBondContact O-N 3.45Å; V993-E996 CarbonylContact O-C 3.51Å; V993-E996 WeakPolarHBondContact O-CB 3.29Å; V993-E996 PolarHBondContact O-N 2.72Å; V993-D997 WeakPolarHBondContact O-CB 3.48Å; V993-D997 PolarHBondContact O-N 2.68Å |
| 994 | S | 59.9 | Low | 57.2 | Low | 86 Ų | 86 | 102.4 Ų | 102.4 | 60% | 0.601 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.8 | -33.1 | 176.8 | 179.3 | 0 | 0 | 0 | 0 | 114 | Y992 | Y992-S994 PolarHBondContact O-N 3.19Å |
| 995 | I | 58.8 | Low | 57.2 | Low | 105 Ų | 105 | 100 Ų | 100 | 54% | 0.538 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -73.2 | -41 | 168 | -66 | 175.1 | 0 | 0 | 0 | 108.3 | Y992 D997 K998 Y999 | Y992-I995 CarbonylContact O-C 3.41Å; Y992-I995 WeakPolarHBondContact O-CA 3.5Å; Y992-I995 WeakPolarHBondContact O-CB 3.34Å; Y992-I995 PolarHBondContact O-N 3.05Å; I995-D997 VanDerWaalsContact C-N 3.26Å; I995-D997 PolarHBondContact O-N 2.74Å; I995-K998 CarbonylContact O-C 3.33Å; I995-K998 PolarHBondContact O-N 3.29Å; I995-Y999 WeakPolarHBondContact O-CA 3.43Å; I995-Y999 WeakPolarHBondContact O-CB 3.4Å; I995-Y999 PolarHBondContact O-N 3.37Å |
| 996 | E | 56.8 | Low | 57.1 | Low | 66 Ų | 66 | 101.2 Ų | 101.2 | 31% | 0.308 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.1 | -21.7 | -179.6 | -151.3 | 177.7 | 180 | 0 | 0 | 113.1 | Y992 V993 Y999 N1000 | Y992-E996 HydrophobicContact CD1-CB 3.87Å; Y992-E996 HydrophobicContact CD1-CG 4Å; Y992-E996 HydrophobicContact CE1-CB 4.23Å; Y992-E996 HydrophobicContact CE1-CG 4.09Å; Y992-E996 WeakPolarHBondContact O-CB 3.22Å; Y992-E996 PolarHBondContact O-N 2.67Å; V993-E996 CarbonylContact O-C 3.51Å; V993-E996 WeakPolarHBondContact O-CB 3.29Å; V993-E996 PolarHBondContact O-N 2.72Å; E996-Y999 CarbonylContact O-C 3.36Å; E996-N1000 WeakPolarHBondContact O-CA 3.33Å; E996-N1000 WeakPolarHBondContact O-CB 3.46Å; E996-N1000 PolarHBondContact O-N 2.73Å; E996-N1000 PolarHBondContact O-ND2 3.36Å |
| 997 | D | 59.5 | Low | 57.2 | Low | 111 Ų | 111 | 102.7 Ų | 102.7 | 59% | 0.594 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -91.3 | -32.5 | 177.1 | -148.5 | 28 | 0 | 0 | 0 | 112 | V993 I995 Y999 N1000 K1001 | V993-D997 WeakPolarHBondContact O-CB 3.48Å; V993-D997 PolarHBondContact O-N 2.68Å; I995-D997 VanDerWaalsContact C-N 3.26Å; I995-D997 PolarHBondContact O-N 2.74Å; D997-Y999 VanDerWaalsContact C-N 3.34Å; D997-N1000 CarbonylContact O-C 3.58Å; D997-N1000 PolarHBondContact O-N 3.25Å; D997-K1001 PolarHBondContact O-N 2.94Å |
| 998 | K | 58.7 | Low | 57.3 | Low | 158 Ų | 158 | 101.3 Ų | 101.3 | 69% | 0.687 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.2 | -30.8 | 164.2 | -77.6 | -176.1 | 178.7 | 173.9 | 0 | 112 | I995 L1002 | I995-K998 CarbonylContact O-C 3.33Å; I995-K998 PolarHBondContact O-N 3.29Å; K998-L1002 VanDerWaalsContact O-CB 3.28Å; K998-L1002 WeakPolarHBondContact O-CB 3.3Å; K998-L1002 WeakPolarHBondContact O-CG 3.29Å; K998-L1002 PolarHBondContact O-N 3.3Å |
| 999 | Y | 55 | Low | 57.4 | Low | 109 Ų | 109 | 100.2 Ų | 100.2 | 43% | 0.427 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.5 | -43.2 | 165.6 | -167.7 | -119.6 | 0 | 0 | 0 | 108.2 | I995 E996 D997 K1001 L1002 V1003 | I995-Y999 WeakPolarHBondContact O-CA 3.43Å; I995-Y999 WeakPolarHBondContact O-CB 3.4Å; I995-Y999 PolarHBondContact O-N 3.37Å; E996-Y999 CarbonylContact O-C 3.36Å; D997-Y999 VanDerWaalsContact C-N 3.34Å; Y999-K1001 CarbonylContact O-C 3.58Å; Y999-K1001 PolarHBondContact O-N 3.19Å; Y999-K1001 VanDerWaalsContact O-N 3.16Å; Y999-L1002 CarbonylContact O-C 3.47Å; Y999-L1002 VanDerWaalsContact O-CA 3.22Å; Y999-L1002 WeakPolarHBondContact O-CA 3.41Å; Y999-L1002 PolarHBondContact O-N 3.19Å; Y999-V1003 HydrophobicContact CD1-CG2 3.59Å; Y999-V1003 HydrophobicContact CD2-CG2 3.73Å; Y999-V1003 HydrophobicContact CE1-CG2 3.57Å; Y999-V1003 HydrophobicContact CE2-CG2 3.69Å; Y999-V1003 HydrophobicContact CG-CG2 3.68Å; Y999-V1003 VanDerWaalsContact O-CA 3.22Å; Y999-V1003 WeakPolarHBondContact O-CA 3.14Å; Y999-V1003 WeakPolarHBondContact O-CB 3.37Å; Y999-V1003 WeakPolarHBondContact O-CG2 2.84Å; Y999-V1003 PolarHBondContact O-N 2.92Å |
| 1000 | N | 59.4 | Low | 57.6 | Low | 64 Ų | 64 | 97.2 Ų | 97.2 | 34% | 0.342 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.2 | -14.6 | 177.3 | -77.7 | -35.6 | 0 | 0 | 0 | 113.8 | E996 D997 V1003 K1004 | E996-N1000 WeakPolarHBondContact O-CA 3.33Å; E996-N1000 WeakPolarHBondContact O-CB 3.46Å; E996-N1000 PolarHBondContact O-N 2.73Å; E996-N1000 PolarHBondContact O-ND2 3.36Å; D997-N1000 CarbonylContact O-C 3.58Å; D997-N1000 PolarHBondContact O-N 3.25Å; N1000-V1003 CarbonylContact O-C 3.54Å; N1000-K1004 WeakPolarHBondContact O-CB 3.2Å; N1000-K1004 VanDerWaalsContact O-CG 3.32Å; N1000-K1004 WeakPolarHBondContact O-CG 3.26Å; N1000-K1004 PolarHBondContact O-N 2.69Å |
| 1001 | K | 59.3 | Low | 57.9 | Low | 143 Ų | 143 | 94.3 Ų | 94.3 | 62% | 0.622 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -83.2 | -48.4 | 155.5 | -80.2 | -172.5 | 171.5 | -178.3 | 0 | 112.4 | D997 Y999 V1003 K1004 D1005 K1006 | D997-K1001 PolarHBondContact O-N 2.94Å; Y999-K1001 CarbonylContact O-C 3.58Å; Y999-K1001 PolarHBondContact O-N 3.19Å; Y999-K1001 VanDerWaalsContact O-N 3.16Å; K1001-V1003 PolarHBondContact O-N 2.9Å; K1001-K1004 CarbonylContact O-C 3.59Å; K1001-K1004 PolarHBondContact O-N 3.17Å; K1001-D1005 CarbonylContact O-C 3.45Å; K1001-D1005 VanDerWaalsContact O-CA 3.26Å; K1001-D1005 WeakPolarHBondContact O-CA 3.46Å; K1001-D1005 VanDerWaalsContact O-CB 3.23Å; K1001-D1005 WeakPolarHBondContact O-CB 3.31Å; K1001-D1005 PolarHBondContact O-N 3.36Å; K1001-K1006 PolarHBondContact O-N 3.26Å; K1001-K1006 VanDerWaalsContact O-N 3.17Å |
| 1002 | L | 54.2 | Low | 58 | Low | 116 Ų | 116 | 98.8 Ų | 98.8 | 61% | 0.607 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | 35.2 | 166.8 | -61.1 | 165.4 | 0 | 0 | 0 | 113.7 | K998 Y999 K1006 | K998-L1002 VanDerWaalsContact O-CB 3.28Å; K998-L1002 WeakPolarHBondContact O-CB 3.3Å; K998-L1002 WeakPolarHBondContact O-CG 3.29Å; K998-L1002 PolarHBondContact O-N 3.3Å; Y999-L1002 CarbonylContact O-C 3.47Å; Y999-L1002 VanDerWaalsContact O-CA 3.22Å; Y999-L1002 WeakPolarHBondContact O-CA 3.41Å; Y999-L1002 PolarHBondContact O-N 3.19Å; L1002-K1006 WeakPolarHBondContact O-CB 3.24Å; L1002-K1006 WeakPolarHBondContact O-CD 2.93Å |
| 1003 | V | 58.7 | Low | 58.5 | Low | 33 Ų | 33 | 97.4 Ų | 97.4 | 20% | 0.2 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -161.8 | -4.7 | 179.7 | 177.6 | 0 | 0 | 0 | 0 | 109.4 | Y999 N1000 K1001 K1006 K1007 | Y999-V1003 HydrophobicContact CD1-CG2 3.59Å; Y999-V1003 HydrophobicContact CD2-CG2 3.73Å; Y999-V1003 HydrophobicContact CE1-CG2 3.57Å; Y999-V1003 HydrophobicContact CE2-CG2 3.69Å; Y999-V1003 HydrophobicContact CG-CG2 3.68Å; Y999-V1003 VanDerWaalsContact O-CA 3.22Å; Y999-V1003 WeakPolarHBondContact O-CA 3.14Å; Y999-V1003 WeakPolarHBondContact O-CB 3.37Å; Y999-V1003 WeakPolarHBondContact O-CG2 2.84Å; Y999-V1003 PolarHBondContact O-N 2.92Å; N1000-V1003 CarbonylContact O-C 3.54Å; K1001-V1003 PolarHBondContact O-N 2.9Å; V1003-K1006 HydrophobicContact CG2-CD 4.39Å; V1003-K1007 HydrophobicContact CG1-CG 4.26Å; V1003-K1007 WeakPolarHBondContact O-CA 3.35Å; V1003-K1007 WeakPolarHBondContact O-CB 2.92Å; V1003-K1007 WeakPolarHBondContact O-CG 3.11Å; V1003-K1007 PolarHBondContact O-N 2.82Å |
| 1004 | K | 58.9 | Low | 58.6 | Low | 145 Ų | 145 | 98.6 Ų | 98.6 | 63% | 0.63 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | -46.1 | 155.9 | -78.8 | -176.7 | 174.3 | 177.1 | 0 | 113.2 | N1000 K1001 K1006 K1007 Q1008 | N1000-K1004 WeakPolarHBondContact O-CB 3.2Å; N1000-K1004 VanDerWaalsContact O-CG 3.32Å; N1000-K1004 WeakPolarHBondContact O-CG 3.26Å; N1000-K1004 PolarHBondContact O-N 2.69Å; K1001-K1004 CarbonylContact O-C 3.59Å; K1001-K1004 PolarHBondContact O-N 3.17Å; K1004-K1006 PolarHBondContact O-N 3.28Å; K1004-K1007 CarbonylContact O-C 3.59Å; K1004-K1007 PolarHBondContact O-N 3.13Å; K1004-Q1008 WeakPolarHBondContact O-CA 3.11Å; K1004-Q1008 WeakPolarHBondContact O-CB 3.44Å; K1004-Q1008 VanDerWaalsContact O-CG 3.23Å; K1004-Q1008 WeakPolarHBondContact O-CG 3.39Å; K1004-Q1008 PolarHBondContact O-N 3.13Å |
| 1005 | D | 57 | Low | 58.8 | Low | 82 Ų | 82 | 98.6 Ų | 98.6 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -20.9 | 159.1 | -49.7 | -31.7 | 0 | 0 | 0 | 110.1 | K1001 Q1008 L1009 | K1001-D1005 CarbonylContact O-C 3.45Å; K1001-D1005 VanDerWaalsContact O-CA 3.26Å; K1001-D1005 WeakPolarHBondContact O-CA 3.46Å; K1001-D1005 VanDerWaalsContact O-CB 3.23Å; K1001-D1005 WeakPolarHBondContact O-CB 3.31Å; K1001-D1005 PolarHBondContact O-N 3.36Å; D1005-Q1008 CarbonylContact O-C 3.6Å; D1005-L1009 VanDerWaalsContact O-CA 3.31Å; D1005-L1009 WeakPolarHBondContact O-CA 3.06Å; D1005-L1009 WeakPolarHBondContact O-CB 3.03Å; D1005-L1009 WeakPolarHBondContact O-CG 3Å; D1005-L1009 PolarHBondContact O-N 3.11Å |
| 1006 | K | 53.1 | Low | 58.9 | Low | 87 Ų | 87 | 97.5 Ų | 97.5 | 38% | 0.378 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -81.1 | -50.8 | 156.3 | -168.8 | -168 | 169.5 | -167.4 | 0 | 110.7 | K1001 L1002 V1003 K1004 Q1008 L1009 T1010 D1011 | K1001-K1006 PolarHBondContact O-N 3.26Å; K1001-K1006 VanDerWaalsContact O-N 3.17Å; L1002-K1006 WeakPolarHBondContact O-CB 3.24Å; L1002-K1006 WeakPolarHBondContact O-CD 2.93Å; V1003-K1006 HydrophobicContact CG2-CD 4.39Å; K1004-K1006 PolarHBondContact O-N 3.28Å; K1006-Q1008 PolarHBondContact O-N 2.84Å; K1006-L1009 CarbonylContact O-C 3.44Å; K1006-L1009 PolarHBondContact O-N 3.32Å; K1006-T1010 WeakPolarHBondContact CE-OG1 3.42Å; K1006-T1010 VanDerWaalsContact CG-CB 3.44Å; K1006-T1010 HydrophobicContact CG-CG2 4.1Å; K1006-T1010 WeakPolarHBondContact CG-OG1 3.3Å; K1006-T1010 CarbonylContact O-C 3.55Å; K1006-T1010 WeakPolarHBondContact O-CA 3.38Å; K1006-T1010 WeakPolarHBondContact O-CB 3.27Å; K1006-T1010 PolarHBondContact O-N 2.9Å; K1006-D1011 PolarHBondContact O-N 3.39Å |
| 1007 | K | 57.8 | Low | 59.4 | Low | 118 Ų | 118 | 96.4 Ų | 96.4 | 51% | 0.513 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 29.1 | 168.6 | -65.9 | -150.9 | 73.1 | -164.1 | 0 | 116.1 | V1003 K1004 D1011 | V1003-K1007 HydrophobicContact CG1-CG 4.26Å; V1003-K1007 WeakPolarHBondContact O-CA 3.35Å; V1003-K1007 WeakPolarHBondContact O-CB 2.92Å; V1003-K1007 WeakPolarHBondContact O-CG 3.11Å; V1003-K1007 PolarHBondContact O-N 2.82Å; K1004-K1007 CarbonylContact O-C 3.59Å; K1004-K1007 PolarHBondContact O-N 3.13Å; K1007-D1011 WeakPolarHBondContact CA-OD1 2.99Å; K1007-D1011 WeakPolarHBondContact CB-OD1 2.9Å; K1007-D1011 WeakPolarHBondContact CE-OD1 3.35Å; K1007-D1011 WeakPolarHBondContact CE-OD2 2.86Å; K1007-D1011 WeakPolarHBondContact CG-OD1 3.02Å; K1007-D1011 IonicContact NZ-OD1 2.8Å; K1007-D1011 IonicContact NZ-OD2 3.58Å; K1007-D1011 PolarHBondContact NZ-OD2 2.77Å; K1007-D1011 WeakPolarHBondContact O-CB 3.32Å |
| 1008 | Q | 60.1 | Low | 59.5 | Low | 132 Ų | 132 | 92.9 Ų | 92.9 | 62% | 0.617 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.1 | 1.8 | 166.8 | -63.5 | -172.6 | -5 | 0 | 0 | 112.5 | K1004 D1005 K1006 R1012 | K1004-Q1008 WeakPolarHBondContact O-CA 3.11Å; K1004-Q1008 WeakPolarHBondContact O-CB 3.44Å; K1004-Q1008 VanDerWaalsContact O-CG 3.23Å; K1004-Q1008 WeakPolarHBondContact O-CG 3.39Å; K1004-Q1008 PolarHBondContact O-N 3.13Å; D1005-Q1008 CarbonylContact O-C 3.6Å; K1006-Q1008 PolarHBondContact O-N 2.84Å; Q1008-R1012 VanDerWaalsContact C-CB 3.48Å; Q1008-R1012 WeakPolarHBondContact O-CB 3.29Å |
| 1009 | L | 55.9 | Low | 59.6 | Low | 105 Ų | 105 | 89.2 Ų | 89.2 | 55% | 0.55 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.1 | 42.9 | 159.4 | -49.5 | 166.4 | 0 | 0 | 0 | 108.4 | D1005 K1006 I1013 | D1005-L1009 VanDerWaalsContact O-CA 3.31Å; D1005-L1009 WeakPolarHBondContact O-CA 3.06Å; D1005-L1009 WeakPolarHBondContact O-CB 3.03Å; D1005-L1009 WeakPolarHBondContact O-CG 3Å; D1005-L1009 PolarHBondContact O-N 3.11Å; K1006-L1009 CarbonylContact O-C 3.44Å; K1006-L1009 PolarHBondContact O-N 3.32Å; L1009-I1013 WeakPolarHBondContact O-CB 3.19Å; L1009-I1013 VanDerWaalsContact O-CD1 3.29Å; L1009-I1013 WeakPolarHBondContact O-CD1 2.93Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.19Å; L1009-I1013 PolarHBondContact O-N 3.17Å |
| 1010 | T | 60.3 | Low | 59.9 | Low | 19 Ų | 19 | 87.7 Ų | 87.7 | 12% | 0.117 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -176 | -15.9 | 176 | -64.4 | 0 | 0 | 0 | 0 | 108.6 | K1006 R1012 I1013 D1014 | K1006-T1010 WeakPolarHBondContact CE-OG1 3.42Å; K1006-T1010 VanDerWaalsContact CG-CB 3.44Å; K1006-T1010 HydrophobicContact CG-CG2 4.1Å; K1006-T1010 WeakPolarHBondContact CG-OG1 3.3Å; K1006-T1010 CarbonylContact O-C 3.55Å; K1006-T1010 WeakPolarHBondContact O-CA 3.38Å; K1006-T1010 WeakPolarHBondContact O-CB 3.27Å; K1006-T1010 PolarHBondContact O-N 2.9Å; T1010-R1012 VanDerWaalsContact N-N 3.17Å; T1010-I1013 VanDerWaalsContact CA-N 3.33Å; T1010-D1014 VanDerWaalsContact C-N 3.34Å; T1010-D1014 VanDerWaalsContact CA-N 3.27Å; T1010-D1014 HydrophobicContact CG2-CB 4.4Å; T1010-D1014 VanDerWaalsContact CG2-CG 3.4Å; T1010-D1014 WeakPolarHBondContact CG2-OD1 3.26Å; T1010-D1014 VanDerWaalsContact CG2-OD2 3.27Å; T1010-D1014 WeakPolarHBondContact CG2-OD2 2.87Å; T1010-D1014 CarbonylContact O-C 3.6Å; T1010-D1014 VanDerWaalsContact O-C 3.31Å; T1010-D1014 WeakPolarHBondContact O-CA 3.06Å; T1010-D1014 WeakPolarHBondContact O-CB 3.29Å; T1010-D1014 PolarHBondContact O-N 2.59Å |
| 1011 | D | 62.5 | Low | 60.1 | Low | 69 Ų | 69 | 86.8 Ų | 86.8 | 37% | 0.369 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -98.2 | 27.1 | 141.7 | -55.5 | 24.6 | 0 | 0 | 0 | 108.2 | K1006 K1007 L1015 | K1006-D1011 PolarHBondContact O-N 3.39Å; K1007-D1011 WeakPolarHBondContact CA-OD1 2.99Å; K1007-D1011 WeakPolarHBondContact CB-OD1 2.9Å; K1007-D1011 WeakPolarHBondContact CE-OD1 3.35Å; K1007-D1011 WeakPolarHBondContact CE-OD2 2.86Å; K1007-D1011 WeakPolarHBondContact CG-OD1 3.02Å; K1007-D1011 IonicContact NZ-OD1 2.8Å; K1007-D1011 IonicContact NZ-OD2 3.58Å; K1007-D1011 PolarHBondContact NZ-OD2 2.77Å; K1007-D1011 WeakPolarHBondContact O-CB 3.32Å; D1011-L1015 VanDerWaalsContact C-CB 3.44Å; D1011-L1015 WeakPolarHBondContact O-CB 3.11Å |
| 1012 | R | 61.1 | Low | 60 | Low | 146 Ų | 146 | 84 Ų | 84 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -169.3 | -6.3 | 176.2 | -143.3 | 170.9 | 173.4 | 148.8 | 1 | 114.4 | Q1008 T1010 L1015 L1016 | Q1008-R1012 VanDerWaalsContact C-CB 3.48Å; Q1008-R1012 WeakPolarHBondContact O-CB 3.29Å; T1010-R1012 VanDerWaalsContact N-N 3.17Å; R1012-L1015 VanDerWaalsContact N-N 3.12Å; R1012-L1016 VanDerWaalsContact C-N 3.35Å; R1012-L1016 HydrophobicContact CG-CD1 3.77Å; R1012-L1016 HydrophobicContact CG-CG 3.66Å; R1012-L1016 WeakPolarHBondContact O-CA 2.85Å; R1012-L1016 WeakPolarHBondContact O-CB 3.26Å; R1012-L1016 WeakPolarHBondContact O-CG 3.44Å; R1012-L1016 PolarHBondContact O-N 3.06Å |
| 1013 | I | 62.6 | Low | 60.2 | Low | 80 Ų | 80 | 82.8 Ų | 82.8 | 41% | 0.41 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -77.6 | -84.2 | 132.1 | -73.8 | 176.1 | 0 | 0 | 0 | 101.8 | L1009 T1010 L1015 L1016 T1017 S1018 | L1009-I1013 WeakPolarHBondContact O-CB 3.19Å; L1009-I1013 VanDerWaalsContact O-CD1 3.29Å; L1009-I1013 WeakPolarHBondContact O-CD1 2.93Å; L1009-I1013 WeakPolarHBondContact O-CG1 3.19Å; L1009-I1013 PolarHBondContact O-N 3.17Å; T1010-I1013 VanDerWaalsContact CA-N 3.33Å; I1013-L1015 CarbonylContact O-C 3.59Å; I1013-L1015 VanDerWaalsContact O-C 3.23Å; I1013-L1015 WeakPolarHBondContact O-CA 3.31Å; I1013-L1015 PolarHBondContact O-N 2.74Å; I1013-L1016 CarbonylContact O-C 3.55Å; I1013-L1016 PolarHBondContact O-N 2.98Å; I1013-T1017 WeakPolarHBondContact CA-OG1 3.38Å; I1013-T1017 HydrophobicContact CG2-CG2 3.82Å; I1013-T1017 WeakPolarHBondContact CG2-OG1 3.45Å; I1013-T1017 CarbonylContact O-C 3.58Å; I1013-T1017 WeakPolarHBondContact O-CA 3.14Å; I1013-T1017 WeakPolarHBondContact O-CB 3.28Å; I1013-T1017 PolarHBondContact O-N 2.66Å; I1013-T1017 PolarHBondContact O-OG1 3.25Å; I1013-S1018 PolarHBondContact O-N 2.93Å |
| 1014 | D | 62.2 | Low | 60.4 | Low | 96 Ų | 96 | 84.6 Ų | 84.6 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 22.9 | 173.9 | -18.8 | -15.8 | 0 | 0 | 0 | 117.3 | T1010 S1018 | T1010-D1014 VanDerWaalsContact C-N 3.34Å; T1010-D1014 VanDerWaalsContact CA-N 3.27Å; T1010-D1014 HydrophobicContact CG2-CB 4.4Å; T1010-D1014 VanDerWaalsContact CG2-CG 3.4Å; T1010-D1014 WeakPolarHBondContact CG2-OD1 3.26Å; T1010-D1014 VanDerWaalsContact CG2-OD2 3.27Å; T1010-D1014 WeakPolarHBondContact CG2-OD2 2.87Å; T1010-D1014 CarbonylContact O-C 3.6Å; T1010-D1014 VanDerWaalsContact O-C 3.31Å; T1010-D1014 WeakPolarHBondContact O-CA 3.06Å; T1010-D1014 WeakPolarHBondContact O-CB 3.29Å; T1010-D1014 PolarHBondContact O-N 2.59Å; D1014-S1018 VanDerWaalsContact CA-N 3.33Å; D1014-S1018 WeakPolarHBondContact O-CB 3.3Å |
| 1015 | L | 63.5 | Low | 60.4 | Low | 86 Ų | 86 | 80.8 Ų | 80.8 | 45% | 0.45 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -30.3 | 138.1 | -164.3 | 68 | 0 | 0 | 0 | 117.6 | D1011 R1012 I1013 S1018 Q1019 | D1011-L1015 VanDerWaalsContact C-CB 3.44Å; D1011-L1015 WeakPolarHBondContact O-CB 3.11Å; R1012-L1015 VanDerWaalsContact N-N 3.12Å; I1013-L1015 CarbonylContact O-C 3.59Å; I1013-L1015 VanDerWaalsContact O-C 3.23Å; I1013-L1015 WeakPolarHBondContact O-CA 3.31Å; I1013-L1015 PolarHBondContact O-N 2.74Å; L1015-S1018 CarbonylContact O-C 3.48Å; L1015-Q1019 WeakPolarHBondContact O-CA 2.83Å; L1015-Q1019 WeakPolarHBondContact O-CB 3.39Å; L1015-Q1019 WeakPolarHBondContact O-CG 3.49Å; L1015-Q1019 PolarHBondContact O-N 2.67Å; L1015-Q1019 PolarHBondContact O-OE1 2.93Å |
| 1016 | L | 60.4 | Low | 60.3 | Low | 82 Ų | 82 | 81.7 Ų | 81.7 | 43% | 0.429 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 1.8 | 166.2 | -60.2 | 167 | 0 | 0 | 0 | 114.4 | R1012 I1013 Q1019 L1020 | R1012-L1016 VanDerWaalsContact C-N 3.35Å; R1012-L1016 HydrophobicContact CG-CD1 3.77Å; R1012-L1016 HydrophobicContact CG-CG 3.66Å; R1012-L1016 WeakPolarHBondContact O-CA 2.85Å; R1012-L1016 WeakPolarHBondContact O-CB 3.26Å; R1012-L1016 WeakPolarHBondContact O-CG 3.44Å; R1012-L1016 PolarHBondContact O-N 3.06Å; I1013-L1016 CarbonylContact O-C 3.55Å; I1013-L1016 PolarHBondContact O-N 2.98Å; L1016-Q1019 CarbonylContact O-C 3.26Å; L1016-L1020 WeakPolarHBondContact O-CA 3.31Å; L1016-L1020 WeakPolarHBondContact O-CB 3.39Å; L1016-L1020 VanDerWaalsContact O-CD1 3.24Å; L1016-L1020 WeakPolarHBondContact O-CD1 3.41Å; L1016-L1020 PolarHBondContact O-N 3.03Å |
| 1017 | T | 67.6 | Low | 60.7 | Low | 44 Ų | 44 | 79.6 Ų | 79.6 | 27% | 0.27 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143 | 7.5 | 179.9 | -34.5 | 0 | 0 | 0 | 0 | 108.9 | I1013 L1020 A1021 | I1013-T1017 WeakPolarHBondContact CA-OG1 3.38Å; I1013-T1017 HydrophobicContact CG2-CG2 3.82Å; I1013-T1017 WeakPolarHBondContact CG2-OG1 3.45Å; I1013-T1017 CarbonylContact O-C 3.58Å; I1013-T1017 WeakPolarHBondContact O-CA 3.14Å; I1013-T1017 WeakPolarHBondContact O-CB 3.28Å; I1013-T1017 PolarHBondContact O-N 2.66Å; I1013-T1017 PolarHBondContact O-OG1 3.25Å; T1017-L1020 VanDerWaalsContact CA-C 3.44Å; T1017-L1020 VanDerWaalsContact CA-CA 3.44Å; T1017-L1020 HydrophobicContact CG2-CB 3.88Å; T1017-L1020 VanDerWaalsContact N-N 3.13Å; T1017-A1021 WeakPolarHBondContact O-CA 3.45Å; T1017-A1021 WeakPolarHBondContact O-CB 3.39Å; T1017-A1021 PolarHBondContact O-N 3.29Å; T1017-A1021 VanDerWaalsContact O-N 3.07Å |
| 1018 | S | 62.1 | Low | 60.9 | Low | 37 Ų | 37 | 78.8 Ų | 78.8 | 26% | 0.259 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -106.2 | 5.7 | 130.2 | -154.5 | 0 | 0 | 0 | 0 | 110.9 | I1013 D1014 L1015 E1022 | I1013-S1018 PolarHBondContact O-N 2.93Å; D1014-S1018 VanDerWaalsContact CA-N 3.33Å; D1014-S1018 WeakPolarHBondContact O-CB 3.3Å; L1015-S1018 CarbonylContact O-C 3.48Å; S1018-E1022 VanDerWaalsContact O-CA 3.28Å; S1018-E1022 WeakPolarHBondContact O-CA 3.23Å; S1018-E1022 WeakPolarHBondContact O-CB 3.42Å; S1018-E1022 WeakPolarHBondContact O-CG 3.25Å; S1018-E1022 PolarHBondContact O-N 3Å; S1018-E1022 VanDerWaalsContact O-OE2 3.1Å |
| 1019 | Q | 59.6 | Low | 60.7 | Low | 80 Ų | 80 | 77 Ų | 77 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -121.3 | 26 | 152.2 | -57.2 | 152.6 | -3.3 | 0 | 0 | 109.3 | L1015 L1016 E1023 | L1015-Q1019 WeakPolarHBondContact O-CA 2.83Å; L1015-Q1019 WeakPolarHBondContact O-CB 3.39Å; L1015-Q1019 WeakPolarHBondContact O-CG 3.49Å; L1015-Q1019 PolarHBondContact O-N 2.67Å; L1015-Q1019 PolarHBondContact O-OE1 2.93Å; L1016-Q1019 CarbonylContact O-C 3.26Å; Q1019-E1023 VanDerWaalsContact C-N 3.34Å; Q1019-E1023 WeakPolarHBondContact O-CB 3.41Å |
| 1020 | L | 61.2 | Low | 60.6 | Low | 78 Ų | 78 | 75.2 Ų | 75.2 | 41% | 0.408 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -142.3 | 17.3 | 153.6 | -101.8 | 74.2 | 0 | 0 | 0 | 107.5 | L1016 T1017 E1023 E1024 | L1016-L1020 WeakPolarHBondContact O-CA 3.31Å; L1016-L1020 WeakPolarHBondContact O-CB 3.39Å; L1016-L1020 VanDerWaalsContact O-CD1 3.24Å; L1016-L1020 WeakPolarHBondContact O-CD1 3.41Å; L1016-L1020 PolarHBondContact O-N 3.03Å; T1017-L1020 VanDerWaalsContact CA-C 3.44Å; T1017-L1020 VanDerWaalsContact CA-CA 3.44Å; T1017-L1020 HydrophobicContact CG2-CB 3.88Å; T1017-L1020 VanDerWaalsContact N-N 3.13Å; L1020-E1023 VanDerWaalsContact CA-C 3.41Å; L1020-E1024 HydrophobicContact CB-CG 3.89Å; L1020-E1024 HydrophobicContact CD2-CG 4.08Å; L1020-E1024 HydrophobicContact CG-CG 3.82Å; L1020-E1024 VanDerWaalsContact O-CA 3.29Å; L1020-E1024 WeakPolarHBondContact O-CA 3.38Å; L1020-E1024 WeakPolarHBondContact O-CB 3.4Å; L1020-E1024 WeakPolarHBondContact O-CG 3.4Å; L1020-E1024 PolarHBondContact O-N 3.14Å |
| 1021 | A | 63.3 | Low | 60.7 | Low | 44 Ų | 44 | 76.9 Ų | 76.9 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -149.2 | 9.4 | 156.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | T1017 E1025 | T1017-A1021 WeakPolarHBondContact O-CA 3.45Å; T1017-A1021 WeakPolarHBondContact O-CB 3.39Å; T1017-A1021 PolarHBondContact O-N 3.29Å; T1017-A1021 VanDerWaalsContact O-N 3.07Å; A1021-E1025 HydrophobicContact CB-CG 4.34Å; A1021-E1025 WeakPolarHBondContact O-CB 3.41Å; A1021-E1025 WeakPolarHBondContact O-CG 2.83Å |
| 1022 | E | 58.1 | Low | 60.5 | Low | 86 Ų | 86 | 79 Ų | 79 | 40% | 0.402 | 39% | 0.392 | S | S | . | . | S | Bend | -109.4 | 21.9 | 119.4 | -42.5 | 166.9 | 124 | 0 | 0 | 113.5 | S1018 R1026 | S1018-E1022 VanDerWaalsContact O-CA 3.28Å; S1018-E1022 WeakPolarHBondContact O-CA 3.23Å; S1018-E1022 WeakPolarHBondContact O-CB 3.42Å; S1018-E1022 WeakPolarHBondContact O-CG 3.25Å; S1018-E1022 PolarHBondContact O-N 3Å; S1018-E1022 VanDerWaalsContact O-OE2 3.1Å; E1022-R1026 HydrophobicContact CB-CG 4.38Å; E1022-R1026 WeakPolarHBondContact O-CA 3.38Å; E1022-R1026 WeakPolarHBondContact O-CB 3.13Å; E1022-R1026 WeakPolarHBondContact O-CD 3.46Å; E1022-R1026 WeakPolarHBondContact O-CG 3.36Å; E1022-R1026 PolarHBondContact O-N 3.31Å; E1022-R1026 PolarHBondContact O-NE 2.63Å; E1022-R1026 PolarHBondContact O-NH1 2.82Å; E1022-R1026 IonicContact OE1-NH2 3.9Å; E1022-R1026 PolarHBondContact OE1-NH2 3.4Å; E1022-R1026 IonicContact OE2-CZ 3.36Å; E1022-R1026 IonicContact OE2-NH1 2.7Å; E1022-R1026 IonicContact OE2-NH2 3.17Å; E1022-R1026 PolarHBondContact OE2-NH2 2.81Å | |
| 1023 | E | 57.5 | Low | 60.3 | Low | 89 Ų | 89 | 74.7 Ų | 74.7 | 42% | 0.416 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -141.2 | 9.1 | 159.9 | -130.1 | 119.7 | 131.2 | 0 | 0 | 113.1 | Q1019 L1020 R1026 S1027 | Q1019-E1023 VanDerWaalsContact C-N 3.34Å; Q1019-E1023 WeakPolarHBondContact O-CB 3.41Å; L1020-E1023 VanDerWaalsContact CA-C 3.41Å; E1023-R1026 HydrophobicContact CG-CB 4.09Å; E1023-R1026 WeakPolarHBondContact OE2-CD 3.1Å; E1023-R1026 IonicContact OE2-CZ 3.75Å; E1023-R1026 IonicContact OE2-NH1 2.67Å; E1023-R1026 PolarHBondContact OE2-NH1 3.02Å; E1023-S1027 WeakPolarHBondContact O-CA 3.32Å; E1023-S1027 WeakPolarHBondContact O-CB 2.91Å; E1023-S1027 PolarHBondContact O-N 3.17Å; E1023-S1027 VanDerWaalsContact O-N 3.15Å |
| 1024 | E | 63.6 | Low | 60.2 | Low | 72 Ų | 72 | 75 Ų | 75 | 34% | 0.336 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -118.1 | 15.2 | 139.4 | -46.4 | 179.2 | 161.5 | 0 | 0 | 108.7 | L1020 K1028 | L1020-E1024 HydrophobicContact CB-CG 3.89Å; L1020-E1024 HydrophobicContact CD2-CG 4.08Å; L1020-E1024 HydrophobicContact CG-CG 3.82Å; L1020-E1024 VanDerWaalsContact O-CA 3.29Å; L1020-E1024 WeakPolarHBondContact O-CA 3.38Å; L1020-E1024 WeakPolarHBondContact O-CB 3.4Å; L1020-E1024 WeakPolarHBondContact O-CG 3.4Å; L1020-E1024 PolarHBondContact O-N 3.14Å; E1024-K1028 HydrophobicContact CB-CD 3.93Å; E1024-K1028 HydrophobicContact CB-CG 4.05Å; E1024-K1028 WeakPolarHBondContact O-CA 3.39Å; E1024-K1028 WeakPolarHBondContact O-CB 3.29Å; E1024-K1028 WeakPolarHBondContact O-CD 2.98Å; E1024-K1028 VanDerWaalsContact O-CG 3.22Å; E1024-K1028 WeakPolarHBondContact O-CG 3.05Å; E1024-K1028 PolarHBondContact O-N 3.17Å; E1024-K1028 VanDerWaalsContact OE2-CE 3.28Å; E1024-K1028 WeakPolarHBondContact OE2-CE 3.3Å; E1024-K1028 IonicContact OE2-NZ 2.72Å; E1024-K1028 PolarHBondContact OE2-NZ 3.04Å |
| 1025 | E | 58.9 | Low | 60.3 | Low | 65 Ų | 65 | 73.3 Ų | 73.3 | 30% | 0.304 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -118.9 | -14.2 | 146.3 | -62.8 | -101.6 | 117.7 | 0 | 0 | 110.4 | A1021 S1027 Q1029 L1030 K1032 | A1021-E1025 HydrophobicContact CB-CG 4.34Å; A1021-E1025 WeakPolarHBondContact O-CB 3.41Å; A1021-E1025 WeakPolarHBondContact O-CG 2.83Å; E1025-S1027 VanDerWaalsContact C-N 3.27Å; E1025-Q1029 HydrophobicContact CB-CG 3.8Å; E1025-Q1029 HydrophobicContact CG-CG 4.43Å; E1025-Q1029 CarbonylContact O-C 3.44Å; E1025-Q1029 WeakPolarHBondContact O-CA 3.42Å; E1025-Q1029 WeakPolarHBondContact O-CB 3.4Å; E1025-Q1029 WeakPolarHBondContact O-CG 2.99Å; E1025-Q1029 PolarHBondContact O-N 2.85Å; E1025-Q1029 PolarHBondContact OE2-NE2 2.87Å; E1025-L1030 PolarHBondContact O-N 2.72Å; E1025-K1032 IonicContact OE1-NZ 3.05Å |
| 1026 | R | 55 | Low | 60.1 | Low | 100 Ų | 100 | 75.1 Ų | 75.1 | 38% | 0.377 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -93.8 | 28.4 | 139 | -47.6 | 166.4 | -149.4 | 110.3 | 4.2 | 111.5 | E1022 E1023 L1030 | E1022-R1026 HydrophobicContact CB-CG 4.38Å; E1022-R1026 WeakPolarHBondContact O-CA 3.38Å; E1022-R1026 WeakPolarHBondContact O-CB 3.13Å; E1022-R1026 WeakPolarHBondContact O-CD 3.46Å; E1022-R1026 WeakPolarHBondContact O-CG 3.36Å; E1022-R1026 PolarHBondContact O-N 3.31Å; E1022-R1026 PolarHBondContact O-NE 2.63Å; E1022-R1026 PolarHBondContact O-NH1 2.82Å; E1022-R1026 IonicContact OE1-NH2 3.9Å; E1022-R1026 PolarHBondContact OE1-NH2 3.4Å; E1022-R1026 IonicContact OE2-CZ 3.36Å; E1022-R1026 IonicContact OE2-NH1 2.7Å; E1022-R1026 IonicContact OE2-NH2 3.17Å; E1022-R1026 PolarHBondContact OE2-NH2 2.81Å; E1023-R1026 HydrophobicContact CG-CB 4.09Å; E1023-R1026 WeakPolarHBondContact OE2-CD 3.1Å; E1023-R1026 IonicContact OE2-CZ 3.75Å; E1023-R1026 IonicContact OE2-NH1 2.67Å; E1023-R1026 PolarHBondContact OE2-NH1 3.02Å; R1026-L1030 VanDerWaalsContact C-CB 3.49Å; R1026-L1030 HydrophobicContact CB-CD1 3.99Å; R1026-L1030 HydrophobicContact CB-CG 3.89Å; R1026-L1030 WeakPolarHBondContact O-CB 3.13Å; R1026-L1030 VanDerWaalsContact O-CD1 3.26Å; R1026-L1030 WeakPolarHBondContact O-CD1 3.2Å; R1026-L1030 WeakPolarHBondContact O-CG 3.12Å |
| 1027 | S | 61.8 | Low | 60.1 | Low | 44 Ų | 44 | 76.7 Ų | 76.7 | 31% | 0.308 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -153.3 | 15.5 | 151.8 | -152.8 | 0 | 0 | 0 | 0 | 115.4 | E1023 E1025 L1030 T1031 | E1023-S1027 WeakPolarHBondContact O-CA 3.32Å; E1023-S1027 WeakPolarHBondContact O-CB 2.91Å; E1023-S1027 PolarHBondContact O-N 3.17Å; E1023-S1027 VanDerWaalsContact O-N 3.15Å; E1025-S1027 VanDerWaalsContact C-N 3.27Å; S1027-L1030 VanDerWaalsContact CA-C 3.43Å; S1027-L1030 PolarHBondContact OG-O 3.01Å; S1027-T1031 WeakPolarHBondContact O-CA 3.12Å; S1027-T1031 WeakPolarHBondContact O-CB 3.16Å; S1027-T1031 PolarHBondContact O-N 2.72Å; S1027-T1031 VanDerWaalsContact O-N 3.11Å; S1027-T1031 PolarHBondContact O-OG1 3.25Å; S1027-T1031 PolarHBondContact OG-OG1 3.09Å; S1027-T1031 VanDerWaalsContact OG-OG1 3.05Å |
| 1028 | K | 61.6 | Low | 60.1 | Low | 101 Ų | 101 | 78.2 Ų | 78.2 | 44% | 0.439 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -129.4 | 8.5 | 146.4 | -51.5 | 153.5 | 178.4 | 155.7 | 0 | 110.8 | E1024 K1032 | E1024-K1028 HydrophobicContact CB-CD 3.93Å; E1024-K1028 HydrophobicContact CB-CG 4.05Å; E1024-K1028 WeakPolarHBondContact O-CA 3.39Å; E1024-K1028 WeakPolarHBondContact O-CB 3.29Å; E1024-K1028 WeakPolarHBondContact O-CD 2.98Å; E1024-K1028 VanDerWaalsContact O-CG 3.22Å; E1024-K1028 WeakPolarHBondContact O-CG 3.05Å; E1024-K1028 PolarHBondContact O-N 3.17Å; E1024-K1028 VanDerWaalsContact OE2-CE 3.28Å; E1024-K1028 WeakPolarHBondContact OE2-CE 3.3Å; E1024-K1028 IonicContact OE2-NZ 2.72Å; E1024-K1028 PolarHBondContact OE2-NZ 3.04Å; K1028-K1032 WeakPolarHBondContact O-CA 2.9Å; K1028-K1032 WeakPolarHBondContact O-CB 3.33Å; K1028-K1032 WeakPolarHBondContact O-CD 3.45Å; K1028-K1032 WeakPolarHBondContact O-CG 3.14Å; K1028-K1032 PolarHBondContact O-N 3.48Å |
| 1029 | Q | 55.7 | Low | 60.4 | Low | 93 Ų | 93 | 79.1 Ų | 79.1 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -124 | 13.5 | 137.7 | -13.2 | 147.7 | 0.5 | 0 | 0 | 111.3 | E1025 L1033 | E1025-Q1029 HydrophobicContact CB-CG 3.8Å; E1025-Q1029 HydrophobicContact CG-CG 4.43Å; E1025-Q1029 CarbonylContact O-C 3.44Å; E1025-Q1029 WeakPolarHBondContact O-CA 3.42Å; E1025-Q1029 WeakPolarHBondContact O-CB 3.4Å; E1025-Q1029 WeakPolarHBondContact O-CG 2.99Å; E1025-Q1029 PolarHBondContact O-N 2.85Å; E1025-Q1029 PolarHBondContact OE2-NE2 2.87Å; Q1029-L1033 HydrophobicContact CB-CD1 3.49Å; Q1029-L1033 VanDerWaalsContact CB-CD1 3.49Å; Q1029-L1033 VanDerWaalsContact O-CA 3.29Å; Q1029-L1033 WeakPolarHBondContact O-CA 3.32Å; Q1029-L1033 WeakPolarHBondContact O-CB 3.04Å; Q1029-L1033 WeakPolarHBondContact O-CD1 3.27Å; Q1029-L1033 WeakPolarHBondContact O-CG 3.28Å; Q1029-L1033 PolarHBondContact O-N 2.86Å |
| 1030 | L | 54.2 | Low | 60.6 | Low | 68 Ų | 68 | 78 Ų | 78 | 36% | 0.356 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -113.1 | 22.1 | 133.7 | -54 | 172.9 | 0 | 0 | 0 | 111.2 | E1025 R1026 S1027 L1033 K1034 Y1037 | E1025-L1030 PolarHBondContact O-N 2.72Å; R1026-L1030 VanDerWaalsContact C-CB 3.49Å; R1026-L1030 HydrophobicContact CB-CD1 3.99Å; R1026-L1030 HydrophobicContact CB-CG 3.89Å; R1026-L1030 WeakPolarHBondContact O-CB 3.13Å; R1026-L1030 VanDerWaalsContact O-CD1 3.26Å; R1026-L1030 WeakPolarHBondContact O-CD1 3.2Å; R1026-L1030 WeakPolarHBondContact O-CG 3.12Å; S1027-L1030 VanDerWaalsContact CA-C 3.43Å; S1027-L1030 PolarHBondContact OG-O 3.01Å; L1030-L1033 VanDerWaalsContact CA-C 3.44Å; L1030-L1033 HydrophobicContact CD2-CB 4.32Å; L1030-K1034 WeakPolarHBondContact O-CB 3.39Å; L1030-K1034 WeakPolarHBondContact O-CD 2.96Å; L1030-K1034 WeakPolarHBondContact O-CG 3.44Å; L1030-K1034 PolarHBondContact O-N 3.11Å; L1030-Y1037 HydrophobicContact CD2-CD2 3.82Å; L1030-Y1037 HydrophobicContact CD2-CE2 3.7Å |
| 1031 | T | 61.7 | Low | 60.8 | Low | 54 Ų | 54 | 77.6 Ų | 77.6 | 33% | 0.331 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -136 | 8.9 | 150.9 | -45.3 | 0 | 0 | 0 | 0 | 112.6 | S1027 K1034 S1035 | S1027-T1031 WeakPolarHBondContact O-CA 3.12Å; S1027-T1031 WeakPolarHBondContact O-CB 3.16Å; S1027-T1031 PolarHBondContact O-N 2.72Å; S1027-T1031 VanDerWaalsContact O-N 3.11Å; S1027-T1031 PolarHBondContact O-OG1 3.25Å; S1027-T1031 PolarHBondContact OG-OG1 3.09Å; S1027-T1031 VanDerWaalsContact OG-OG1 3.05Å; T1031-K1034 HydrophobicContact CG2-CB 4.15Å; T1031-S1035 WeakPolarHBondContact O-CA 3.28Å; T1031-S1035 WeakPolarHBondContact O-CB 2.96Å; T1031-S1035 PolarHBondContact O-N 3.39Å; T1031-S1035 PolarHBondContact O-OG 3.39Å |
| 1032 | K | 59 | Low | 61.3 | Low | 115 Ų | 115 | 80.2 Ų | 80.2 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 3.4 | 138.8 | -49.6 | 162 | -162 | 154.2 | 0 | 113.6 | E1025 K1028 S1035 K1036 | E1025-K1032 IonicContact OE1-NZ 3.05Å; K1028-K1032 WeakPolarHBondContact O-CA 2.9Å; K1028-K1032 WeakPolarHBondContact O-CB 3.33Å; K1028-K1032 WeakPolarHBondContact O-CD 3.45Å; K1028-K1032 WeakPolarHBondContact O-CG 3.14Å; K1028-K1032 PolarHBondContact O-N 3.48Å; K1032-S1035 WeakPolarHBondContact CA-OG 3.31Å; K1032-K1036 VanDerWaalsContact C-N 3.28Å; K1032-K1036 WeakPolarHBondContact O-CA 3.05Å; K1032-K1036 WeakPolarHBondContact O-CB 2.93Å; K1032-K1036 WeakPolarHBondContact O-CD 2.99Å; K1032-K1036 WeakPolarHBondContact O-CG 3.39Å; K1032-K1036 PolarHBondContact O-N 2.84Å |
| 1033 | L | 57.1 | Low | 61.6 | Low | 54 Ų | 54 | 80 Ų | 80 | 28% | 0.283 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 33.7 | 137.6 | -53.9 | 61 | 0 | 0 | 0 | 109 | Q1029 L1030 K1036 Y1037 | Q1029-L1033 HydrophobicContact CB-CD1 3.49Å; Q1029-L1033 VanDerWaalsContact CB-CD1 3.49Å; Q1029-L1033 VanDerWaalsContact O-CA 3.29Å; Q1029-L1033 WeakPolarHBondContact O-CA 3.32Å; Q1029-L1033 WeakPolarHBondContact O-CB 3.04Å; Q1029-L1033 WeakPolarHBondContact O-CD1 3.27Å; Q1029-L1033 WeakPolarHBondContact O-CG 3.28Å; Q1029-L1033 PolarHBondContact O-N 2.86Å; L1030-L1033 VanDerWaalsContact CA-C 3.44Å; L1030-L1033 HydrophobicContact CD2-CB 4.32Å; L1033-K1036 HydrophobicContact CG-CB 4.32Å; L1033-Y1037 HydrophobicContact CB-CD1 4.08Å; L1033-Y1037 HydrophobicContact CB-CD2 3.64Å; L1033-Y1037 HydrophobicContact CB-CE1 4.27Å; L1033-Y1037 HydrophobicContact CB-CE2 3.83Å; L1033-Y1037 HydrophobicContact CB-CG 3.76Å; L1033-Y1037 HydrophobicContact CD2-CD1 4.45Å; L1033-Y1037 HydrophobicContact CD2-CE1 3.83Å; L1033-Y1037 HydrophobicContact CD2-CE2 3.91Å; L1033-Y1037 HydrophobicContact CG-CE1 4.43Å; L1033-Y1037 WeakPolarHBondContact O-CB 3.15Å; L1033-Y1037 WeakPolarHBondContact O-CD2 2.97Å; L1033-Y1037 PolarHBondContact O-N 3.36Å |
| 1034 | K | 61.3 | Low | 61.7 | Low | 86 Ų | 86 | 79 Ų | 79 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -48.3 | 133.2 | -78.9 | 168 | 77.9 | -78.5 | 0 | 106.7 | L1030 T1031 K1036 Y1037 E1038 S1039 | L1030-K1034 WeakPolarHBondContact O-CB 3.39Å; L1030-K1034 WeakPolarHBondContact O-CD 2.96Å; L1030-K1034 WeakPolarHBondContact O-CG 3.44Å; L1030-K1034 PolarHBondContact O-N 3.11Å; T1031-K1034 HydrophobicContact CG2-CB 4.15Å; K1034-K1036 CarbonylContact O-C 3.6Å; K1034-K1036 PolarHBondContact O-N 2.84Å; K1034-Y1037 CarbonylContact O-C 3.53Å; K1034-Y1037 PolarHBondContact O-N 2.79Å; K1034-E1038 HydrophobicContact CB-CG 3.76Å; K1034-E1038 WeakPolarHBondContact CB-OE2 3.35Å; K1034-E1038 WeakPolarHBondContact CE-OE1 3.39Å; K1034-E1038 HydrophobicContact CG-CG 4.2Å; K1034-E1038 VanDerWaalsContact NZ-CD 3.28Å; K1034-E1038 IonicContact NZ-OE1 2.78Å; K1034-E1038 PolarHBondContact NZ-OE1 3.31Å; K1034-E1038 IonicContact NZ-OE2 2.59Å; K1034-E1038 PolarHBondContact NZ-OE2 3.27Å; K1034-E1038 CarbonylContact O-C 3.53Å; K1034-E1038 WeakPolarHBondContact O-CA 3.3Å; K1034-E1038 WeakPolarHBondContact O-CB 3.29Å; K1034-E1038 WeakPolarHBondContact O-CG 3.31Å; K1034-E1038 PolarHBondContact O-N 2.7Å; K1034-S1039 PolarHBondContact O-N 2.87Å |
| 1035 | S | 63.2 | Low | 62 | Low | 62 Ų | 62 | 80 Ų | 80 | 43% | 0.434 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -2.4 | 160.8 | 99.4 | 0 | 0 | 0 | 0 | 116.4 | T1031 K1032 S1039 | T1031-S1035 WeakPolarHBondContact O-CA 3.28Å; T1031-S1035 WeakPolarHBondContact O-CB 2.96Å; T1031-S1035 PolarHBondContact O-N 3.39Å; T1031-S1035 PolarHBondContact O-OG 3.39Å; K1032-S1035 WeakPolarHBondContact CA-OG 3.31Å; S1035-S1039 WeakPolarHBondContact O-CB 2.9Å; S1035-S1039 PolarHBondContact O-N 3.14Å |
| 1036 | K | 60.3 | Low | 62.4 | Low | 124 Ų | 124 | 80.5 Ų | 80.5 | 54% | 0.539 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | 17.3 | 152.9 | -53.5 | 172.5 | 173.5 | -175.7 | 0 | 115.4 | K1032 L1033 K1034 N1040 | K1032-K1036 VanDerWaalsContact C-N 3.28Å; K1032-K1036 WeakPolarHBondContact O-CA 3.05Å; K1032-K1036 WeakPolarHBondContact O-CB 2.93Å; K1032-K1036 WeakPolarHBondContact O-CD 2.99Å; K1032-K1036 WeakPolarHBondContact O-CG 3.39Å; K1032-K1036 PolarHBondContact O-N 2.84Å; L1033-K1036 HydrophobicContact CG-CB 4.32Å; K1034-K1036 CarbonylContact O-C 3.6Å; K1034-K1036 PolarHBondContact O-N 2.84Å; K1036-N1040 VanDerWaalsContact C-N 3.29Å; K1036-N1040 WeakPolarHBondContact O-CB 3.43Å; K1036-N1040 PolarHBondContact O-N 3.41Å; K1036-N1040 PolarHBondContact O-ND2 3.07Å; K1036-N1040 PolarHBondContact O-OD1 3.02Å |
| 1037 | Y | 60 | Low | 62.8 | Low | 115 Ų | 115 | 80.1 Ų | 80.1 | 45% | 0.451 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | 39.8 | 150.1 | -56.4 | -41.9 | 0 | 0 | 0 | 108.6 | L1030 L1033 K1034 N1040 L1041 | L1030-Y1037 HydrophobicContact CD2-CD2 3.82Å; L1030-Y1037 HydrophobicContact CD2-CE2 3.7Å; L1033-Y1037 HydrophobicContact CB-CD1 4.08Å; L1033-Y1037 HydrophobicContact CB-CD2 3.64Å; L1033-Y1037 HydrophobicContact CB-CE1 4.27Å; L1033-Y1037 HydrophobicContact CB-CE2 3.83Å; L1033-Y1037 HydrophobicContact CB-CG 3.76Å; L1033-Y1037 HydrophobicContact CD2-CD1 4.45Å; L1033-Y1037 HydrophobicContact CD2-CE1 3.83Å; L1033-Y1037 HydrophobicContact CD2-CE2 3.91Å; L1033-Y1037 HydrophobicContact CG-CE1 4.43Å; L1033-Y1037 WeakPolarHBondContact O-CB 3.15Å; L1033-Y1037 WeakPolarHBondContact O-CD2 2.97Å; L1033-Y1037 PolarHBondContact O-N 3.36Å; K1034-Y1037 CarbonylContact O-C 3.53Å; K1034-Y1037 PolarHBondContact O-N 2.79Å; Y1037-N1040 VanDerWaalsContact CA-C 3.49Å; Y1037-L1041 VanDerWaalsContact C-CB 3.43Å; Y1037-L1041 WeakPolarHBondContact O-CB 3.06Å; Y1037-L1041 WeakPolarHBondContact O-CD1 3.3Å; Y1037-L1041 WeakPolarHBondContact O-CG 3.19Å |
| 1038 | E | 67.9 | Low | 63 | Low | 76 Ų | 76 | 80 Ų | 80 | 36% | 0.355 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -167.8 | -18.2 | 177.4 | -58.9 | 177.9 | 151.7 | 0 | 0 | 107.8 | K1034 L1041 N1042 | K1034-E1038 HydrophobicContact CB-CG 3.76Å; K1034-E1038 WeakPolarHBondContact CB-OE2 3.35Å; K1034-E1038 WeakPolarHBondContact CE-OE1 3.39Å; K1034-E1038 HydrophobicContact CG-CG 4.2Å; K1034-E1038 VanDerWaalsContact NZ-CD 3.28Å; K1034-E1038 IonicContact NZ-OE1 2.78Å; K1034-E1038 PolarHBondContact NZ-OE1 3.31Å; K1034-E1038 IonicContact NZ-OE2 2.59Å; K1034-E1038 PolarHBondContact NZ-OE2 3.27Å; K1034-E1038 CarbonylContact O-C 3.53Å; K1034-E1038 WeakPolarHBondContact O-CA 3.3Å; K1034-E1038 WeakPolarHBondContact O-CB 3.29Å; K1034-E1038 WeakPolarHBondContact O-CG 3.31Å; K1034-E1038 PolarHBondContact O-N 2.7Å; E1038-L1041 VanDerWaalsContact CA-N 3.28Å; E1038-N1042 VanDerWaalsContact C-N 3.26Å; E1038-N1042 WeakPolarHBondContact O-CA 3.14Å; E1038-N1042 WeakPolarHBondContact O-CB 2.94Å; E1038-N1042 PolarHBondContact O-N 2.57Å; E1038-N1042 PolarHBondContact O-ND2 3.15Å |
| 1039 | S | 68.1 | Low | 63.5 | Low | 55 Ų | 55 | 78.5 Ų | 78.5 | 39% | 0.385 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -93.4 | -15.5 | 139.1 | -156.2 | 0 | 0 | 0 | 0 | 112.7 | K1034 S1035 E1043 | K1034-S1039 PolarHBondContact O-N 2.87Å; S1035-S1039 WeakPolarHBondContact O-CB 2.9Å; S1035-S1039 PolarHBondContact O-N 3.14Å; S1039-E1043 VanDerWaalsContact O-CA 3.3Å; S1039-E1043 WeakPolarHBondContact O-CA 3.24Å; S1039-E1043 WeakPolarHBondContact O-CB 3.21Å; S1039-E1043 WeakPolarHBondContact O-CG 3.14Å; S1039-E1043 PolarHBondContact O-N 2.74Å |
| 1040 | N | 63.8 | Low | 63.9 | Low | 57 Ų | 57 | 81.9 Ų | 81.9 | 31% | 0.305 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -113.1 | 28.3 | 155.5 | -35.6 | 0.1 | 0 | 0 | 0 | 111.3 | K1036 Y1037 L1044 | K1036-N1040 VanDerWaalsContact C-N 3.29Å; K1036-N1040 WeakPolarHBondContact O-CB 3.43Å; K1036-N1040 PolarHBondContact O-N 3.41Å; K1036-N1040 PolarHBondContact O-ND2 3.07Å; K1036-N1040 PolarHBondContact O-OD1 3.02Å; Y1037-N1040 VanDerWaalsContact CA-C 3.49Å; N1040-L1044 HydrophobicContact CB-CG 4.25Å; N1040-L1044 WeakPolarHBondContact O-CB 3.43Å; N1040-L1044 WeakPolarHBondContact O-CD1 2.86Å; N1040-L1044 WeakPolarHBondContact O-CG 2.87Å; N1040-L1044 PolarHBondContact O-N 3.18Å |
| 1041 | L | 65.5 | Low | 64.2 | Low | 70 Ų | 70 | 81.4 Ų | 81.4 | 37% | 0.366 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -121.7 | -12.7 | 145.1 | -84 | 176.1 | 0 | 0 | 0 | 108.7 | Y1037 E1038 L1044 Q1045 | Y1037-L1041 VanDerWaalsContact C-CB 3.43Å; Y1037-L1041 WeakPolarHBondContact O-CB 3.06Å; Y1037-L1041 WeakPolarHBondContact O-CD1 3.3Å; Y1037-L1041 WeakPolarHBondContact O-CG 3.19Å; E1038-L1041 VanDerWaalsContact CA-N 3.28Å; L1041-L1044 HydrophobicContact CD2-CB 4.18Å; L1041-L1044 WeakPolarHBondContact CD2-O 3.06Å; L1041-L1044 CarbonylContact O-C 3.54Å; L1041-Q1045 WeakPolarHBondContact O-CA 3.25Å; L1041-Q1045 WeakPolarHBondContact O-CB 3.15Å; L1041-Q1045 VanDerWaalsContact O-CD 3.25Å; L1041-Q1045 WeakPolarHBondContact O-CG 3.46Å; L1041-Q1045 PolarHBondContact O-N 3.03Å; L1041-Q1045 PolarHBondContact O-OE1 2.55Å; L1041-Q1045 VanDerWaalsContact O-OE1 3.1Å |
| 1042 | N | 73.5 | Confident | 64.3 | Low | 99 Ų | 99 | 83.7 Ų | 83.7 | 53% | 0.529 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -90 | -15.6 | 153.6 | -68.1 | -55.4 | 0 | 0 | 0 | 112 | E1038 D1046 | E1038-N1042 VanDerWaalsContact C-N 3.26Å; E1038-N1042 WeakPolarHBondContact O-CA 3.14Å; E1038-N1042 WeakPolarHBondContact O-CB 2.94Å; E1038-N1042 PolarHBondContact O-N 2.57Å; E1038-N1042 PolarHBondContact O-ND2 3.15Å; N1042-D1046 WeakPolarHBondContact O-CA 3.14Å; N1042-D1046 WeakPolarHBondContact O-CB 3.25Å; N1042-D1046 PolarHBondContact O-N 3.43Å |
| 1043 | E | 64.6 | Low | 64.7 | Low | 81 Ų | 81 | 84.3 Ų | 84.3 | 38% | 0.379 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -100.5 | -0.9 | 154.8 | -64.4 | 180 | -143.3 | 0 | 0 | 112.9 | S1039 K1047 | S1039-E1043 VanDerWaalsContact O-CA 3.3Å; S1039-E1043 WeakPolarHBondContact O-CA 3.24Å; S1039-E1043 WeakPolarHBondContact O-CB 3.21Å; S1039-E1043 WeakPolarHBondContact O-CG 3.14Å; S1039-E1043 PolarHBondContact O-N 2.74Å; E1043-K1047 WeakPolarHBondContact O-CA 3.08Å; E1043-K1047 WeakPolarHBondContact O-CB 3.36Å; E1043-K1047 WeakPolarHBondContact O-CD 3.03Å; E1043-K1047 WeakPolarHBondContact O-CG 3.28Å; E1043-K1047 PolarHBondContact O-N 2.98Å; E1043-K1047 WeakPolarHBondContact OE2-CE 3.5Å; E1043-K1047 IonicContact OE2-NZ 3.74Å; E1043-K1047 PolarHBondContact OE2-NZ 3.23Å |
| 1044 | L | 59.3 | Low | 64.8 | Low | 69 Ų | 69 | 83.5 Ų | 83.5 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -115.8 | 40.3 | 151.9 | -54.3 | 171.1 | 0 | 0 | 0 | 109.1 | N1040 L1041 K1047 L1048 | N1040-L1044 HydrophobicContact CB-CG 4.25Å; N1040-L1044 WeakPolarHBondContact O-CB 3.43Å; N1040-L1044 WeakPolarHBondContact O-CD1 2.86Å; N1040-L1044 WeakPolarHBondContact O-CG 2.87Å; N1040-L1044 PolarHBondContact O-N 3.18Å; L1041-L1044 HydrophobicContact CD2-CB 4.18Å; L1041-L1044 WeakPolarHBondContact CD2-O 3.06Å; L1041-L1044 CarbonylContact O-C 3.54Å; L1044-K1047 HydrophobicContact CD2-CB 3.95Å; L1044-K1047 HydrophobicContact CD2-CD 4.21Å; L1044-L1048 VanDerWaalsContact C-N 3.33Å; L1044-L1048 HydrophobicContact CB-CB 4.44Å; L1044-L1048 WeakPolarHBondContact O-CB 3.31Å |
| 1045 | Q | 69.6 | Low | 64.8 | Low | 93 Ų | 93 | 86 Ų | 86 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -145.9 | -6.9 | 153.3 | -65.6 | 165.1 | -110.1 | 0 | 0 | 108.2 | L1041 L1048 V1049 | L1041-Q1045 WeakPolarHBondContact O-CA 3.25Å; L1041-Q1045 WeakPolarHBondContact O-CB 3.15Å; L1041-Q1045 VanDerWaalsContact O-CD 3.25Å; L1041-Q1045 WeakPolarHBondContact O-CG 3.46Å; L1041-Q1045 PolarHBondContact O-N 3.03Å; L1041-Q1045 PolarHBondContact O-OE1 2.55Å; L1041-Q1045 VanDerWaalsContact O-OE1 3.1Å; Q1045-L1048 CarbonylContact O-C 3.48Å; Q1045-V1049 VanDerWaalsContact C-N 3.26Å; Q1045-V1049 HydrophobicContact CB-CG2 4.38Å; Q1045-V1049 VanDerWaalsContact O-CA 3.27Å; Q1045-V1049 WeakPolarHBondContact O-CA 3.44Å; Q1045-V1049 WeakPolarHBondContact O-CB 3.43Å; Q1045-V1049 WeakPolarHBondContact O-CG2 3.31Å; Q1045-V1049 PolarHBondContact O-N 3.44Å |
| 1046 | D | 67.7 | Low | 65.1 | Low | 74 Ų | 74 | 88.6 Ų | 88.6 | 40% | 0.396 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -96.5 | -27.6 | 149.4 | -92.2 | 27.9 | 0 | 0 | 0 | 112.1 | N1042 R1050 | N1042-D1046 WeakPolarHBondContact O-CA 3.14Å; N1042-D1046 WeakPolarHBondContact O-CB 3.25Å; N1042-D1046 PolarHBondContact O-N 3.43Å; D1046-R1050 WeakPolarHBondContact O-CA 3.33Å; D1046-R1050 WeakPolarHBondContact O-CB 3.07Å; D1046-R1050 VanDerWaalsContact O-CD 3.26Å; D1046-R1050 WeakPolarHBondContact O-CD 3.07Å; D1046-R1050 WeakPolarHBondContact O-CG 3.17Å; D1046-R1050 PolarHBondContact O-N 2.83Å; D1046-R1050 PolarHBondContact O-NE 2.96Å; D1046-R1050 IonicContact OD2-CZ 3.43Å; D1046-R1050 IonicContact OD2-NE 3.06Å; D1046-R1050 IonicContact OD2-NH2 3.44Å; D1046-R1050 PolarHBondContact OD2-NH2 2.95Å |
| 1047 | K | 62.7 | Low | 65.3 | Low | 93 Ų | 93 | 87.2 Ų | 87.2 | 40% | 0.404 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -73.2 | -66.8 | 152.1 | -58.1 | 155.2 | -156.7 | 153.5 | 0 | 105.7 | E1043 L1044 V1049 R1050 E1051 | E1043-K1047 WeakPolarHBondContact O-CA 3.08Å; E1043-K1047 WeakPolarHBondContact O-CB 3.36Å; E1043-K1047 WeakPolarHBondContact O-CD 3.03Å; E1043-K1047 WeakPolarHBondContact O-CG 3.28Å; E1043-K1047 PolarHBondContact O-N 2.98Å; E1043-K1047 WeakPolarHBondContact OE2-CE 3.5Å; E1043-K1047 IonicContact OE2-NZ 3.74Å; E1043-K1047 PolarHBondContact OE2-NZ 3.23Å; L1044-K1047 HydrophobicContact CD2-CB 3.95Å; L1044-K1047 HydrophobicContact CD2-CD 4.21Å; K1047-V1049 CarbonylContact O-C 3.45Å; K1047-V1049 PolarHBondContact O-N 3.38Å; K1047-R1050 CarbonylContact O-C 3.43Å; K1047-R1050 VanDerWaalsContact O-CA 3.28Å; K1047-R1050 WeakPolarHBondContact O-CA 2.9Å; K1047-R1050 PolarHBondContact O-N 3.41Å; K1047-E1051 WeakPolarHBondContact O-CA 3.3Å; K1047-E1051 WeakPolarHBondContact O-CB 3.49Å; K1047-E1051 PolarHBondContact O-N 3.42Å |
| 1048 | L | 65.8 | Low | 65.3 | Low | 41 Ų | 41 | 86 Ų | 86 | 22% | 0.215 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.3 | 18.6 | 174.8 | -142.2 | 61 | 0 | 0 | 0 | 118.7 | L1044 Q1045 E1051 Q1052 | L1044-L1048 VanDerWaalsContact C-N 3.33Å; L1044-L1048 HydrophobicContact CB-CB 4.44Å; L1044-L1048 WeakPolarHBondContact O-CB 3.31Å; Q1045-L1048 CarbonylContact O-C 3.48Å; L1048-E1051 HydrophobicContact CD1-CB 4.45Å; L1048-E1051 HydrophobicContact CD1-CG 4.42Å; L1048-Q1052 HydrophobicContact CG-CG 4.12Å; L1048-Q1052 WeakPolarHBondContact O-CB 3.15Å; L1048-Q1052 VanDerWaalsContact O-CD 3.23Å; L1048-Q1052 WeakPolarHBondContact O-CG 3.23Å; L1048-Q1052 PolarHBondContact O-N 2.9Å |
| 1049 | V | 71.8 | Confident | 65.2 | Low | 70 Ų | 70 | 86.1 Ų | 86.1 | 42% | 0.424 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -129.6 | -11.8 | 149.1 | -173.6 | 0 | 0 | 0 | 0 | 113.1 | Q1045 K1047 Q1052 K1053 | Q1045-V1049 VanDerWaalsContact C-N 3.26Å; Q1045-V1049 HydrophobicContact CB-CG2 4.38Å; Q1045-V1049 VanDerWaalsContact O-CA 3.27Å; Q1045-V1049 WeakPolarHBondContact O-CA 3.44Å; Q1045-V1049 WeakPolarHBondContact O-CB 3.43Å; Q1045-V1049 WeakPolarHBondContact O-CG2 3.31Å; Q1045-V1049 PolarHBondContact O-N 3.44Å; K1047-V1049 CarbonylContact O-C 3.45Å; K1047-V1049 PolarHBondContact O-N 3.38Å; V1049-Q1052 HydrophobicContact CG2-CB 4.36Å; V1049-K1053 VanDerWaalsContact O-CA 3.25Å; V1049-K1053 WeakPolarHBondContact O-CA 3.49Å; V1049-K1053 WeakPolarHBondContact O-CB 2.99Å; V1049-K1053 PolarHBondContact O-N 3.35Å |
| 1050 | R | 65.5 | Low | 65.3 | Low | 163 Ų | 163 | 87.4 Ų | 87.4 | 62% | 0.615 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -86.5 | 14.3 | 148.5 | -53.6 | 165.6 | -135.5 | 169.4 | 2 | 112.7 | D1046 K1047 S1054 | D1046-R1050 WeakPolarHBondContact O-CA 3.33Å; D1046-R1050 WeakPolarHBondContact O-CB 3.07Å; D1046-R1050 VanDerWaalsContact O-CD 3.26Å; D1046-R1050 WeakPolarHBondContact O-CD 3.07Å; D1046-R1050 WeakPolarHBondContact O-CG 3.17Å; D1046-R1050 PolarHBondContact O-N 2.83Å; D1046-R1050 PolarHBondContact O-NE 2.96Å; D1046-R1050 IonicContact OD2-CZ 3.43Å; D1046-R1050 IonicContact OD2-NE 3.06Å; D1046-R1050 IonicContact OD2-NH2 3.44Å; D1046-R1050 PolarHBondContact OD2-NH2 2.95Å; K1047-R1050 CarbonylContact O-C 3.43Å; K1047-R1050 VanDerWaalsContact O-CA 3.28Å; K1047-R1050 WeakPolarHBondContact O-CA 2.9Å; K1047-R1050 PolarHBondContact O-N 3.41Å; R1050-S1054 WeakPolarHBondContact O-CB 2.85Å; R1050-S1054 PolarHBondContact O-N 2.93Å; R1050-S1054 VanDerWaalsContact O-N 3.15Å; R1050-S1054 PolarHBondContact O-OG 2.72Å |
| 1051 | E | 59.2 | Low | 65.2 | Low | 59 Ų | 59 | 86.2 Ų | 86.2 | 28% | 0.276 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -159.7 | 4.6 | -173.4 | -159.9 | -139.6 | 140 | 0 | 0 | 108.6 | K1047 L1048 S1054 R1055 | K1047-E1051 WeakPolarHBondContact O-CA 3.3Å; K1047-E1051 WeakPolarHBondContact O-CB 3.49Å; K1047-E1051 PolarHBondContact O-N 3.42Å; L1048-E1051 HydrophobicContact CD1-CB 4.45Å; L1048-E1051 HydrophobicContact CD1-CG 4.42Å; E1051-S1054 VanDerWaalsContact CA-OG 3.28Å; E1051-S1054 WeakPolarHBondContact CA-OG 3.36Å; E1051-R1055 HydrophobicContact CG-CG 4.35Å; E1051-R1055 WeakPolarHBondContact O-CB 3.23Å; E1051-R1055 VanDerWaalsContact O-CD 3.22Å; E1051-R1055 WeakPolarHBondContact O-CD 3.25Å; E1051-R1055 WeakPolarHBondContact O-CG 3.47Å; E1051-R1055 PolarHBondContact O-N 3.49Å; E1051-R1055 IonicContact OE1-CZ 2.87Å; E1051-R1055 IonicContact OE1-NE 3.59Å; E1051-R1055 PolarHBondContact OE1-NE 2.78Å; E1051-R1055 IonicContact OE1-NH2 3.6Å |
| 1052 | Q | 64.7 | Low | 65.1 | Low | 102 Ų | 102 | 87 Ų | 87 | 48% | 0.477 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -13.9 | 135 | -79.1 | 170.8 | 11 | 0 | 0 | 111.7 | L1048 V1049 R1055 Q1056 | L1048-Q1052 HydrophobicContact CG-CG 4.12Å; L1048-Q1052 WeakPolarHBondContact O-CB 3.15Å; L1048-Q1052 VanDerWaalsContact O-CD 3.23Å; L1048-Q1052 WeakPolarHBondContact O-CG 3.23Å; L1048-Q1052 PolarHBondContact O-N 2.9Å; V1049-Q1052 HydrophobicContact CG2-CB 4.36Å; Q1052-R1055 CarbonylContact O-C 3.4Å; Q1052-Q1056 WeakPolarHBondContact O-CA 3.39Å; Q1052-Q1056 WeakPolarHBondContact O-CB 3.23Å; Q1052-Q1056 WeakPolarHBondContact O-CG 3.12Å; Q1052-Q1056 PolarHBondContact O-N 2.97Å |
| 1053 | K | 67.9 | Low | 64.9 | Low | 127 Ų | 127 | 89.7 Ų | 89.7 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -96.7 | -10.6 | 157.4 | -158.6 | -174.6 | 175 | -167.8 | 0 | 112.2 | V1049 D1057 | V1049-K1053 VanDerWaalsContact O-CA 3.25Å; V1049-K1053 WeakPolarHBondContact O-CA 3.49Å; V1049-K1053 WeakPolarHBondContact O-CB 2.99Å; V1049-K1053 PolarHBondContact O-N 3.35Å; K1053-D1057 WeakPolarHBondContact O-CA 3.19Å; K1053-D1057 WeakPolarHBondContact O-CB 3.3Å; K1053-D1057 PolarHBondContact O-N 3.19Å |
| 1054 | S | 58.2 | Low | 65 | Low | 38 Ų | 38 | 93.2 Ų | 93.2 | 27% | 0.266 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 8.9 | 150.5 | 83.5 | 0 | 0 | 0 | 0 | 114.1 | R1050 E1051 I1058 | R1050-S1054 WeakPolarHBondContact O-CB 2.85Å; R1050-S1054 PolarHBondContact O-N 2.93Å; R1050-S1054 VanDerWaalsContact O-N 3.15Å; R1050-S1054 PolarHBondContact O-OG 2.72Å; E1051-S1054 VanDerWaalsContact CA-OG 3.28Å; E1051-S1054 WeakPolarHBondContact CA-OG 3.36Å; S1054-I1058 VanDerWaalsContact O-CA 3.25Å; S1054-I1058 WeakPolarHBondContact O-CA 3.12Å; S1054-I1058 WeakPolarHBondContact O-CB 3.04Å; S1054-I1058 VanDerWaalsContact O-CD1 3.24Å; S1054-I1058 WeakPolarHBondContact O-CD1 3.4Å; S1054-I1058 WeakPolarHBondContact O-CG1 3.41Å; S1054-I1058 PolarHBondContact O-N 2.87Å |
| 1055 | R | 61.6 | Low | 65 | Low | 137 Ų | 137 | 94.2 Ų | 94.2 | 52% | 0.517 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 12.7 | 142.2 | -67.7 | 170 | -175.8 | -155.9 | -1 | 111.4 | E1051 Q1052 I1058 E1059 | E1051-R1055 HydrophobicContact CG-CG 4.35Å; E1051-R1055 WeakPolarHBondContact O-CB 3.23Å; E1051-R1055 VanDerWaalsContact O-CD 3.22Å; E1051-R1055 WeakPolarHBondContact O-CD 3.25Å; E1051-R1055 WeakPolarHBondContact O-CG 3.47Å; E1051-R1055 PolarHBondContact O-N 3.49Å; E1051-R1055 IonicContact OE1-CZ 2.87Å; E1051-R1055 IonicContact OE1-NE 3.59Å; E1051-R1055 PolarHBondContact OE1-NE 2.78Å; E1051-R1055 IonicContact OE1-NH2 3.6Å; Q1052-R1055 CarbonylContact O-C 3.4Å; R1055-I1058 CarbonylContact O-C 3.07Å; R1055-E1059 VanDerWaalsContact C-N 3.33Å; R1055-E1059 WeakPolarHBondContact O-CB 3.49Å; R1055-E1059 WeakPolarHBondContact O-CG 3.3Å; R1055-E1059 PolarHBondContact O-N 2.65Å; R1055-E1059 VanDerWaalsContact O-N 3.14Å |
| 1056 | Q | 68.8 | Low | 65 | Low | 118 Ų | 118 | 93.7 Ų | 93.7 | 55% | 0.551 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -21.1 | 156.5 | -78.2 | 176.1 | -2.1 | 0 | 0 | 110.3 | Q1052 E1059 V1060 | Q1052-Q1056 WeakPolarHBondContact O-CA 3.39Å; Q1052-Q1056 WeakPolarHBondContact O-CB 3.23Å; Q1052-Q1056 WeakPolarHBondContact O-CG 3.12Å; Q1052-Q1056 PolarHBondContact O-N 2.97Å; Q1056-E1059 CarbonylContact O-C 3.03Å; Q1056-V1060 VanDerWaalsContact O-CA 3.26Å; Q1056-V1060 WeakPolarHBondContact O-CA 3.48Å; Q1056-V1060 WeakPolarHBondContact O-CB 3.42Å; Q1056-V1060 WeakPolarHBondContact O-CG2 3.08Å; Q1056-V1060 PolarHBondContact O-N 3.04Å |
| 1057 | D | 64.3 | Low | 65.2 | Low | 95 Ų | 95 | 93.9 Ų | 93.9 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -14.4 | 158 | -58.7 | -26 | 0 | 0 | 0 | 110.1 | K1053 A1061 | K1053-D1057 WeakPolarHBondContact O-CA 3.19Å; K1053-D1057 WeakPolarHBondContact O-CB 3.3Å; K1053-D1057 PolarHBondContact O-N 3.19Å; D1057-A1061 CarbonylContact O-C 3.44Å; D1057-A1061 WeakPolarHBondContact O-CA 2.88Å; D1057-A1061 WeakPolarHBondContact O-CB 3.26Å; D1057-A1061 PolarHBondContact O-N 2.74Å |
| 1058 | I | 60.4 | Low | 65.3 | Low | 88 Ų | 88 | 92.9 Ų | 92.9 | 45% | 0.451 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | 41.5 | 156.6 | -39.4 | 159.8 | 0 | 0 | 0 | 110.1 | S1054 R1055 K1062 | S1054-I1058 VanDerWaalsContact O-CA 3.25Å; S1054-I1058 WeakPolarHBondContact O-CA 3.12Å; S1054-I1058 WeakPolarHBondContact O-CB 3.04Å; S1054-I1058 VanDerWaalsContact O-CD1 3.24Å; S1054-I1058 WeakPolarHBondContact O-CD1 3.4Å; S1054-I1058 WeakPolarHBondContact O-CG1 3.41Å; S1054-I1058 PolarHBondContact O-N 2.87Å; R1055-I1058 CarbonylContact O-C 3.07Å; I1058-K1062 VanDerWaalsContact CA-N 3.32Å; I1058-K1062 HydrophobicContact CG2-CB 3.71Å; I1058-K1062 WeakPolarHBondContact O-CB 3.44Å |
| 1059 | E | 65.4 | Low | 65.3 | Low | 80 Ų | 80 | 93 Ų | 93 | 37% | 0.374 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.9 | -8.6 | 146.2 | -78.9 | -167.8 | 127 | 0 | 0 | 112.3 | R1055 Q1056 R1063 | R1055-E1059 VanDerWaalsContact C-N 3.33Å; R1055-E1059 WeakPolarHBondContact O-CB 3.49Å; R1055-E1059 WeakPolarHBondContact O-CG 3.3Å; R1055-E1059 PolarHBondContact O-N 2.65Å; R1055-E1059 VanDerWaalsContact O-N 3.14Å; Q1056-E1059 CarbonylContact O-C 3.03Å; E1059-R1063 WeakPolarHBondContact O-CA 3.01Å; E1059-R1063 WeakPolarHBondContact O-CB 2.87Å; E1059-R1063 WeakPolarHBondContact O-CD 2.9Å; E1059-R1063 WeakPolarHBondContact O-CG 3.35Å; E1059-R1063 PolarHBondContact O-N 2.76Å |
| 1060 | V | 71.2 | Confident | 65.4 | Low | 81 Ų | 81 | 92.2 Ų | 92.2 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -101.2 | -17.5 | 157.4 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | Q1056 R1064 | Q1056-V1060 VanDerWaalsContact O-CA 3.26Å; Q1056-V1060 WeakPolarHBondContact O-CA 3.48Å; Q1056-V1060 WeakPolarHBondContact O-CB 3.42Å; Q1056-V1060 WeakPolarHBondContact O-CG2 3.08Å; Q1056-V1060 PolarHBondContact O-N 3.04Å; V1060-R1064 WeakPolarHBondContact O-CA 2.9Å; V1060-R1064 WeakPolarHBondContact O-CB 3.31Å; V1060-R1064 WeakPolarHBondContact O-CD 3.07Å; V1060-R1064 WeakPolarHBondContact O-CG 3.32Å; V1060-R1064 PolarHBondContact O-N 2.69Å |
| 1061 | A | 60.9 | Low | 65.5 | Low | 32 Ų | 32 | 89.6 Ų | 89.6 | 26% | 0.264 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -117.6 | 23.4 | 148.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | D1057 R1064 L1065 | D1057-A1061 CarbonylContact O-C 3.44Å; D1057-A1061 WeakPolarHBondContact O-CA 2.88Å; D1057-A1061 WeakPolarHBondContact O-CB 3.26Å; D1057-A1061 PolarHBondContact O-N 2.74Å; A1061-R1064 HydrophobicContact CB-CB 3.86Å; A1061-L1065 VanDerWaalsContact C-N 3.33Å; A1061-L1065 WeakPolarHBondContact O-CB 3.43Å; A1061-L1065 WeakPolarHBondContact O-CD1 2.98Å; A1061-L1065 WeakPolarHBondContact O-CG 3.19Å; A1061-L1065 PolarHBondContact O-N 2.79Å |
| 1062 | K | 64.1 | Low | 65.6 | Low | 88 Ų | 88 | 94 Ų | 94 | 38% | 0.383 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -102.1 | -23.9 | 138.7 | -174 | 172.2 | 163.8 | -69.5 | 0 | 111.7 | I1058 L1065 E1066 | I1058-K1062 VanDerWaalsContact CA-N 3.32Å; I1058-K1062 HydrophobicContact CG2-CB 3.71Å; I1058-K1062 WeakPolarHBondContact O-CB 3.44Å; K1062-L1065 CarbonylContact O-C 3.45Å; K1062-L1065 PolarHBondContact O-N 3.31Å; K1062-E1066 WeakPolarHBondContact CE-OE1 3.33Å; K1062-E1066 HydrophobicContact CG-CG 3.91Å; K1062-E1066 IonicContact NZ-OE1 3.81Å; K1062-E1066 PolarHBondContact NZ-OE1 2.86Å; K1062-E1066 IonicContact NZ-OE2 2.83Å; K1062-E1066 VanDerWaalsContact O-CA 3.28Å; K1062-E1066 WeakPolarHBondContact O-CA 3.28Å; K1062-E1066 WeakPolarHBondContact O-CB 3.13Å; K1062-E1066 WeakPolarHBondContact O-CG 3.14Å; K1062-E1066 PolarHBondContact O-N 3.03Å |
| 1063 | R | 68.5 | Low | 65.9 | Low | 155 Ų | 155 | 94.6 Ų | 94.6 | 59% | 0.585 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -79.6 | -24 | 156.8 | -64 | 170.1 | -166.8 | 173.2 | 8.5 | 113 | E1059 T1067 | E1059-R1063 WeakPolarHBondContact O-CA 3.01Å; E1059-R1063 WeakPolarHBondContact O-CB 2.87Å; E1059-R1063 WeakPolarHBondContact O-CD 2.9Å; E1059-R1063 WeakPolarHBondContact O-CG 3.35Å; E1059-R1063 PolarHBondContact O-N 2.76Å; R1063-T1067 WeakPolarHBondContact O-CA 3.26Å; R1063-T1067 WeakPolarHBondContact O-CB 2.86Å; R1063-T1067 PolarHBondContact O-N 3.15Å; R1063-T1067 PolarHBondContact O-OG1 3.24Å |
| 1064 | R | 68.2 | Low | 66.2 | Low | 154 Ų | 154 | 92.7 Ų | 92.7 | 58% | 0.581 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -72.1 | -46.8 | 154.3 | -72.5 | 166.7 | -177.4 | 170.3 | -1.4 | 110.3 | V1060 A1061 E1066 T1067 E1068 | V1060-R1064 WeakPolarHBondContact O-CA 2.9Å; V1060-R1064 WeakPolarHBondContact O-CB 3.31Å; V1060-R1064 WeakPolarHBondContact O-CD 3.07Å; V1060-R1064 WeakPolarHBondContact O-CG 3.32Å; V1060-R1064 PolarHBondContact O-N 2.69Å; A1061-R1064 HydrophobicContact CB-CB 3.86Å; R1064-E1066 PolarHBondContact O-N 3.48Å; R1064-T1067 PolarHBondContact O-N 3.43Å; R1064-E1068 HydrophobicContact CB-CG 4.22Å; R1064-E1068 WeakPolarHBondContact CB-OE1 2.93Å; R1064-E1068 WeakPolarHBondContact O-CA 3.26Å; R1064-E1068 WeakPolarHBondContact O-CB 3.29Å; R1064-E1068 VanDerWaalsContact O-CG 3.27Å; R1064-E1068 WeakPolarHBondContact O-CG 3.16Å; R1064-E1068 PolarHBondContact O-N 3.29Å |
| 1065 | L | 58.9 | Low | 66.5 | Low | 91 Ų | 91 | 96.4 Ų | 96.4 | 48% | 0.476 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -80.3 | 37.5 | 168.6 | -56.9 | 171.1 | 0 | 0 | 0 | 115.4 | A1061 K1062 A1069 | A1061-L1065 VanDerWaalsContact C-N 3.33Å; A1061-L1065 WeakPolarHBondContact O-CB 3.43Å; A1061-L1065 WeakPolarHBondContact O-CD1 2.98Å; A1061-L1065 WeakPolarHBondContact O-CG 3.19Å; A1061-L1065 PolarHBondContact O-N 2.79Å; K1062-L1065 CarbonylContact O-C 3.45Å; K1062-L1065 PolarHBondContact O-N 3.31Å; L1065-A1069 VanDerWaalsContact C-CB 3.42Å; L1065-A1069 WeakPolarHBondContact O-CB 3.1Å |
| 1066 | E | 69.9 | Low | 66.6 | Low | 82 Ų | 82 | 91.9 Ų | 91.9 | 38% | 0.383 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -152.2 | -15.8 | 170 | -74.8 | 167.1 | 154.9 | 0 | 0 | 110 | K1062 R1064 A1069 S1070 | K1062-E1066 WeakPolarHBondContact CE-OE1 3.33Å; K1062-E1066 HydrophobicContact CG-CG 3.91Å; K1062-E1066 IonicContact NZ-OE1 3.81Å; K1062-E1066 PolarHBondContact NZ-OE1 2.86Å; K1062-E1066 IonicContact NZ-OE2 2.83Å; K1062-E1066 VanDerWaalsContact O-CA 3.28Å; K1062-E1066 WeakPolarHBondContact O-CA 3.28Å; K1062-E1066 WeakPolarHBondContact O-CB 3.13Å; K1062-E1066 WeakPolarHBondContact O-CG 3.14Å; K1062-E1066 PolarHBondContact O-N 3.03Å; R1064-E1066 PolarHBondContact O-N 3.48Å; E1066-A1069 CarbonylContact O-C 3.55Å; E1066-S1070 VanDerWaalsContact C-N 3.26Å; E1066-S1070 WeakPolarHBondContact O-CA 3.38Å; E1066-S1070 WeakPolarHBondContact O-CB 3.18Å; E1066-S1070 PolarHBondContact O-N 3.01Å |
| 1067 | T | 70.8 | Confident | 66.9 | Low | 77 Ų | 77 | 88.8 Ų | 88.8 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -99.7 | -28.2 | 162.2 | -44 | 0 | 0 | 0 | 0 | 110 | R1063 R1064 E1071 | R1063-T1067 WeakPolarHBondContact O-CA 3.26Å; R1063-T1067 WeakPolarHBondContact O-CB 2.86Å; R1063-T1067 PolarHBondContact O-N 3.15Å; R1063-T1067 PolarHBondContact O-OG1 3.24Å; R1064-T1067 PolarHBondContact O-N 3.43Å; T1067-E1071 VanDerWaalsContact O-CA 3.29Å; T1067-E1071 WeakPolarHBondContact O-CA 3.15Å; T1067-E1071 WeakPolarHBondContact O-CB 3.33Å; T1067-E1071 WeakPolarHBondContact O-CG 3.27Å; T1067-E1071 PolarHBondContact O-N 3.16Å |
| 1068 | E | 65.5 | Low | 67.1 | Low | 73 Ų | 73 | 88.5 Ų | 88.5 | 34% | 0.341 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -10.7 | 155.3 | -50 | 173.4 | -156.7 | 0 | 0 | 112.4 | R1064 R1072 | R1064-E1068 HydrophobicContact CB-CG 4.22Å; R1064-E1068 WeakPolarHBondContact CB-OE1 2.93Å; R1064-E1068 WeakPolarHBondContact O-CA 3.26Å; R1064-E1068 WeakPolarHBondContact O-CB 3.29Å; R1064-E1068 VanDerWaalsContact O-CG 3.27Å; R1064-E1068 WeakPolarHBondContact O-CG 3.16Å; R1064-E1068 PolarHBondContact O-N 3.29Å; E1068-R1072 WeakPolarHBondContact O-CA 3.42Å; E1068-R1072 WeakPolarHBondContact O-CB 3.33Å; E1068-R1072 WeakPolarHBondContact O-CG 3.43Å; E1068-R1072 PolarHBondContact O-N 3.18Å |
| 1069 | A | 64.6 | Low | 67.3 | Low | 44 Ų | 44 | 86.7 Ų | 86.7 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 20.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1065 E1066 L1073 | L1065-A1069 VanDerWaalsContact C-CB 3.42Å; L1065-A1069 WeakPolarHBondContact O-CB 3.1Å; E1066-A1069 CarbonylContact O-C 3.55Å; A1069-L1073 VanDerWaalsContact O-CB 3.28Å; A1069-L1073 WeakPolarHBondContact O-CB 3.36Å; A1069-L1073 PolarHBondContact O-N 3.02Å; A1069-L1073 VanDerWaalsContact O-N 3.14Å |
| 1070 | S | 74.4 | Confident | 67.5 | Low | 52 Ų | 52 | 86 Ų | 86 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.9 | -17.8 | 149.7 | -169.4 | 0 | 0 | 0 | 0 | 110.4 | E1066 R1072 D1074 | E1066-S1070 VanDerWaalsContact C-N 3.26Å; E1066-S1070 WeakPolarHBondContact O-CA 3.38Å; E1066-S1070 WeakPolarHBondContact O-CB 3.18Å; E1066-S1070 PolarHBondContact O-N 3.01Å; S1070-R1072 VanDerWaalsContact C-N 3.3Å; S1070-D1074 VanDerWaalsContact O-CA 3.29Å; S1070-D1074 WeakPolarHBondContact O-CA 3.5Å; S1070-D1074 WeakPolarHBondContact O-CB 3.44Å; S1070-D1074 PolarHBondContact O-N 2.86Å |
| 1071 | E | 68.7 | Low | 67.6 | Low | 109 Ų | 109 | 87.4 Ų | 87.4 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -3.1 | 153.5 | -66.2 | 163.5 | -173.2 | 0 | 0 | 110.5 | T1067 Q1075 | T1067-E1071 VanDerWaalsContact O-CA 3.29Å; T1067-E1071 WeakPolarHBondContact O-CA 3.15Å; T1067-E1071 WeakPolarHBondContact O-CB 3.33Å; T1067-E1071 WeakPolarHBondContact O-CG 3.27Å; T1067-E1071 PolarHBondContact O-N 3.16Å; E1071-Q1075 VanDerWaalsContact C-N 3.29Å; E1071-Q1075 WeakPolarHBondContact O-CA 3.26Å; E1071-Q1075 WeakPolarHBondContact O-CB 3.25Å; E1071-Q1075 VanDerWaalsContact O-CD 3.23Å; E1071-Q1075 WeakPolarHBondContact O-CG 3.37Å; E1071-Q1075 PolarHBondContact O-N 3.28Å |
| 1072 | R | 61.6 | Low | 67.9 | Low | 150 Ų | 150 | 88.3 Ų | 88.3 | 57% | 0.566 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.7 | 13.5 | 154.2 | -55.4 | -174.7 | -141.4 | -175.6 | 9 | 113.6 | E1068 S1070 Q1075 A1076 | E1068-R1072 WeakPolarHBondContact O-CA 3.42Å; E1068-R1072 WeakPolarHBondContact O-CB 3.33Å; E1068-R1072 WeakPolarHBondContact O-CG 3.43Å; E1068-R1072 PolarHBondContact O-N 3.18Å; S1070-R1072 VanDerWaalsContact C-N 3.3Å; R1072-Q1075 HydrophobicContact CB-CB 4.4Å; R1072-Q1075 HydrophobicContact CG-CB 4.12Å; R1072-A1076 WeakPolarHBondContact O-CB 3.37Å; R1072-A1076 PolarHBondContact O-N 3.48Å |
| 1073 | L | 70.9 | Confident | 68.1 | Low | 115 Ų | 115 | 86.7 Ų | 86.7 | 60% | 0.602 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -26.6 | 139.7 | -147.9 | 78.4 | 0 | 0 | 0 | 109.2 | A1069 A1076 S1077 | A1069-L1073 VanDerWaalsContact O-CB 3.28Å; A1069-L1073 WeakPolarHBondContact O-CB 3.36Å; A1069-L1073 PolarHBondContact O-N 3.02Å; A1069-L1073 VanDerWaalsContact O-N 3.14Å; L1073-A1076 CarbonylContact O-C 3.54Å; L1073-A1076 PolarHBondContact O-N 3.34Å; L1073-S1077 WeakPolarHBondContact O-CA 3.31Å; L1073-S1077 WeakPolarHBondContact O-CB 3.49Å; L1073-S1077 PolarHBondContact O-N 2.84Å; L1073-S1077 PolarHBondContact O-OG 3.37Å |
| 1074 | D | 72.4 | Confident | 68.3 | Low | 88 Ų | 88 | 85.7 Ų | 85.7 | 47% | 0.471 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -91.3 | -30.5 | 171.9 | -62.1 | -33.4 | 0 | 0 | 0 | 112.6 | S1070 A1076 S1077 E1078 | S1070-D1074 VanDerWaalsContact O-CA 3.29Å; S1070-D1074 WeakPolarHBondContact O-CA 3.5Å; S1070-D1074 WeakPolarHBondContact O-CB 3.44Å; S1070-D1074 PolarHBondContact O-N 2.86Å; D1074-A1076 PolarHBondContact O-N 3.43Å; D1074-S1077 WeakPolarHBondContact CA-OG 3.37Å; D1074-S1077 PolarHBondContact O-N 2.91Å; D1074-S1077 PolarHBondContact OD1-OG 3.44Å; D1074-E1078 WeakPolarHBondContact O-CA 3.49Å; D1074-E1078 WeakPolarHBondContact O-CB 3.21Å; D1074-E1078 PolarHBondContact O-N 2.89Å |
| 1075 | Q | 64.7 | Low | 68.4 | Low | 116 Ų | 116 | 82.9 Ų | 82.9 | 54% | 0.542 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 14.3 | 154.1 | -63.1 | 163.5 | 16.9 | 0 | 0 | 112.2 | E1071 R1072 S1079 | E1071-Q1075 VanDerWaalsContact C-N 3.29Å; E1071-Q1075 WeakPolarHBondContact O-CA 3.26Å; E1071-Q1075 WeakPolarHBondContact O-CB 3.25Å; E1071-Q1075 VanDerWaalsContact O-CD 3.23Å; E1071-Q1075 WeakPolarHBondContact O-CG 3.37Å; E1071-Q1075 PolarHBondContact O-N 3.28Å; R1072-Q1075 HydrophobicContact CB-CB 4.4Å; R1072-Q1075 HydrophobicContact CG-CB 4.12Å; Q1075-S1079 WeakPolarHBondContact O-CB 3.31Å; Q1075-S1079 PolarHBondContact O-OG 2.87Å |
| 1076 | A | 64.6 | Low | 68.5 | Low | 41 Ų | 41 | 82.7 Ų | 82.7 | 34% | 0.339 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | 15.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1072 L1073 D1074 S1080 | R1072-A1076 WeakPolarHBondContact O-CB 3.37Å; R1072-A1076 PolarHBondContact O-N 3.48Å; L1073-A1076 CarbonylContact O-C 3.54Å; L1073-A1076 PolarHBondContact O-N 3.34Å; D1074-A1076 PolarHBondContact O-N 3.43Å; A1076-S1080 WeakPolarHBondContact O-CB 3.26Å; A1076-S1080 PolarHBondContact O-N 3.43Å; A1076-S1080 PolarHBondContact O-OG 2.9Å |
| 1077 | S | 74 | Confident | 68.5 | Low | 54 Ų | 54 | 86.8 Ų | 86.8 | 38% | 0.378 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -35.7 | 166.8 | 80.6 | 0 | 0 | 0 | 0 | 107.9 | L1073 D1074 S1080 R1081 | L1073-S1077 WeakPolarHBondContact O-CA 3.31Å; L1073-S1077 WeakPolarHBondContact O-CB 3.49Å; L1073-S1077 PolarHBondContact O-N 2.84Å; L1073-S1077 PolarHBondContact O-OG 3.37Å; D1074-S1077 WeakPolarHBondContact CA-OG 3.37Å; D1074-S1077 PolarHBondContact O-N 2.91Å; D1074-S1077 PolarHBondContact OD1-OG 3.44Å; S1077-S1080 CarbonylContact O-C 3.56Å; S1077-R1081 WeakPolarHBondContact O-CA 3.33Å; S1077-R1081 WeakPolarHBondContact O-CB 3.29Å; S1077-R1081 PolarHBondContact O-N 2.73Å |
| 1078 | E | 70.5 | Confident | 68.6 | Low | 88 Ų | 88 | 85.9 Ų | 85.9 | 41% | 0.411 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -74.4 | -25.3 | 151.8 | -162.4 | 71 | 168.1 | 0 | 0 | 111.7 | D1074 R1081 V1082 | D1074-E1078 WeakPolarHBondContact O-CA 3.49Å; D1074-E1078 WeakPolarHBondContact O-CB 3.21Å; D1074-E1078 PolarHBondContact O-N 2.89Å; E1078-R1081 CarbonylContact O-C 3.49Å; E1078-R1081 IonicContact OE1-CZ 2.74Å; E1078-R1081 IonicContact OE1-NE 2.8Å; E1078-R1081 IonicContact OE1-NH2 2.61Å; E1078-R1081 PolarHBondContact OE1-NH2 3.18Å; E1078-R1081 IonicContact OE2-CZ 2.72Å; E1078-R1081 VanDerWaalsContact OE2-CZ 3.24Å; E1078-R1081 IonicContact OE2-NE 2.97Å; E1078-R1081 PolarHBondContact OE2-NE 3.18Å; E1078-R1081 IonicContact OE2-NH2 3.4Å; E1078-R1081 PolarHBondContact OE2-NH2 3.43Å; E1078-V1082 VanDerWaalsContact O-CA 3.31Å; E1078-V1082 WeakPolarHBondContact O-CA 3.24Å; E1078-V1082 WeakPolarHBondContact O-CB 3.34Å; E1078-V1082 WeakPolarHBondContact O-CG2 3.5Å; E1078-V1082 PolarHBondContact O-N 2.88Å |
| 1079 | S | 62.5 | Low | 68.6 | Low | 50 Ų | 50 | 85.2 Ų | 85.2 | 35% | 0.35 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -107.9 | 20.5 | 159.8 | -29.5 | 0 | 0 | 0 | 0 | 114.2 | Q1075 V1083 | Q1075-S1079 WeakPolarHBondContact O-CB 3.31Å; Q1075-S1079 PolarHBondContact O-OG 2.87Å; S1079-V1083 WeakPolarHBondContact O-CB 2.95Å; S1079-V1083 WeakPolarHBondContact O-CG2 3.29Å; S1079-V1083 PolarHBondContact O-N 3.1Å |
| 1080 | S | 70 | Confident | 68.4 | Low | 65 Ų | 65 | 85.6 Ų | 85.6 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -102.8 | -15.1 | 142.7 | -69.1 | 0 | 0 | 0 | 0 | 111.3 | A1076 S1077 V1083 E1084 | A1076-S1080 WeakPolarHBondContact O-CB 3.26Å; A1076-S1080 PolarHBondContact O-N 3.43Å; A1076-S1080 PolarHBondContact O-OG 2.9Å; S1077-S1080 CarbonylContact O-C 3.56Å; S1080-V1083 CarbonylContact O-C 3.59Å; S1080-E1084 WeakPolarHBondContact O-CA 3.24Å; S1080-E1084 WeakPolarHBondContact O-CB 3.2Å; S1080-E1084 WeakPolarHBondContact O-CG 3.39Å; S1080-E1084 PolarHBondContact O-N 2.89Å |
| 1081 | R | 73.3 | Confident | 68.3 | Low | 111 Ų | 111 | 85.6 Ų | 85.6 | 42% | 0.419 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -91 | -22.9 | 167.6 | -170.7 | 178.9 | 81.9 | 86.3 | -2.4 | 111.8 | S1077 E1078 E1084 E1085 | S1077-R1081 WeakPolarHBondContact O-CA 3.33Å; S1077-R1081 WeakPolarHBondContact O-CB 3.29Å; S1077-R1081 PolarHBondContact O-N 2.73Å; E1078-R1081 CarbonylContact O-C 3.49Å; E1078-R1081 IonicContact OE1-CZ 2.74Å; E1078-R1081 IonicContact OE1-NE 2.8Å; E1078-R1081 IonicContact OE1-NH2 2.61Å; E1078-R1081 PolarHBondContact OE1-NH2 3.18Å; E1078-R1081 IonicContact OE2-CZ 2.72Å; E1078-R1081 VanDerWaalsContact OE2-CZ 3.24Å; E1078-R1081 IonicContact OE2-NE 2.97Å; E1078-R1081 PolarHBondContact OE2-NE 3.18Å; E1078-R1081 IonicContact OE2-NH2 3.4Å; E1078-R1081 PolarHBondContact OE2-NH2 3.43Å; R1081-E1084 CarbonylContact O-C 3.47Å; R1081-E1085 IonicContact CZ-OE1 2.7Å; R1081-E1085 IonicContact NH1-OE1 2.76Å; R1081-E1085 PolarHBondContact NH1-OE1 3.15Å; R1081-E1085 WeakPolarHBondContact O-CA 3.49Å; R1081-E1085 WeakPolarHBondContact O-CB 3.24Å; R1081-E1085 WeakPolarHBondContact O-CG 3.42Å; R1081-E1085 PolarHBondContact O-N 2.83Å |
| 1082 | V | 67.6 | Low | 68.4 | Low | 51 Ų | 51 | 85.4 Ų | 85.4 | 31% | 0.309 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -96.2 | -6.4 | 162.1 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | E1078 L1086 | E1078-V1082 VanDerWaalsContact O-CA 3.31Å; E1078-V1082 WeakPolarHBondContact O-CA 3.24Å; E1078-V1082 WeakPolarHBondContact O-CB 3.34Å; E1078-V1082 WeakPolarHBondContact O-CG2 3.5Å; E1078-V1082 PolarHBondContact O-N 2.88Å; V1082-L1086 HydrophobicContact CG1-CD1 3.76Å; V1082-L1086 HydrophobicContact CG1-CG 3.92Å; V1082-L1086 VanDerWaalsContact O-CA 3.28Å; V1082-L1086 WeakPolarHBondContact O-CA 3.39Å; V1082-L1086 WeakPolarHBondContact O-CB 3.38Å; V1082-L1086 WeakPolarHBondContact O-CD1 3.32Å; V1082-L1086 WeakPolarHBondContact O-CG 3.24Å; V1082-L1086 PolarHBondContact O-N 3Å |
| 1083 | V | 67.6 | Low | 68.6 | Low | 55 Ų | 55 | 82.2 Ų | 82.2 | 33% | 0.333 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -98.9 | -2.1 | 154.8 | 178.3 | 0 | 0 | 0 | 0 | 111.9 | S1079 S1080 L1086 R1087 | S1079-V1083 WeakPolarHBondContact O-CB 2.95Å; S1079-V1083 WeakPolarHBondContact O-CG2 3.29Å; S1079-V1083 PolarHBondContact O-N 3.1Å; S1080-V1083 CarbonylContact O-C 3.59Å; V1083-L1086 CarbonylContact O-C 3.57Å; V1083-R1087 HydrophobicContact CG1-CG 4.03Å; V1083-R1087 WeakPolarHBondContact O-CA 3.37Å; V1083-R1087 WeakPolarHBondContact O-CB 3.28Å; V1083-R1087 WeakPolarHBondContact O-CD 3.37Å; V1083-R1087 WeakPolarHBondContact O-CG 2.96Å; V1083-R1087 PolarHBondContact O-N 2.94Å |
| 1084 | E | 73.1 | Confident | 68.5 | Low | 134 Ų | 134 | 82.3 Ų | 82.3 | 63% | 0.626 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -101.2 | -22.4 | 160.7 | -80.2 | -177.5 | 151.7 | 0 | 0 | 111.3 | S1080 R1081 R1087 A1088 | S1080-E1084 WeakPolarHBondContact O-CA 3.24Å; S1080-E1084 WeakPolarHBondContact O-CB 3.2Å; S1080-E1084 WeakPolarHBondContact O-CG 3.39Å; S1080-E1084 PolarHBondContact O-N 2.89Å; R1081-E1084 CarbonylContact O-C 3.47Å; E1084-R1087 CarbonylContact O-C 3.41Å; E1084-A1088 WeakPolarHBondContact O-CA 3.44Å; E1084-A1088 WeakPolarHBondContact O-CB 2.94Å; E1084-A1088 PolarHBondContact O-N 3.4Å |
| 1085 | E | 69.9 | Low | 68.6 | Low | 95 Ų | 95 | 80.7 Ų | 80.7 | 44% | 0.444 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -84.6 | -29.1 | 162.3 | -71.3 | 172.7 | -171.3 | 0 | 0 | 109.8 | R1081 T1089 | R1081-E1085 IonicContact CZ-OE1 2.7Å; R1081-E1085 IonicContact NH1-OE1 2.76Å; R1081-E1085 PolarHBondContact NH1-OE1 3.15Å; R1081-E1085 WeakPolarHBondContact O-CA 3.49Å; R1081-E1085 WeakPolarHBondContact O-CB 3.24Å; R1081-E1085 WeakPolarHBondContact O-CG 3.42Å; R1081-E1085 PolarHBondContact O-N 2.83Å; E1085-T1089 VanDerWaalsContact O-CA 3.24Å; E1085-T1089 WeakPolarHBondContact O-CA 3.49Å; E1085-T1089 WeakPolarHBondContact O-CB 3.38Å; E1085-T1089 VanDerWaalsContact O-CG2 3.26Å; E1085-T1089 WeakPolarHBondContact O-CG2 3.44Å; E1085-T1089 PolarHBondContact O-N 3.43Å; E1085-T1089 PolarHBondContact O-OG1 2.68Å |
| 1086 | L | 61.9 | Low | 68.7 | Low | 86 Ų | 86 | 78.4 Ų | 78.4 | 45% | 0.45 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -95.8 | 28.6 | 157.5 | -50.5 | 166 | 0 | 0 | 0 | 112.5 | V1082 V1083 V1090 | V1082-L1086 HydrophobicContact CG1-CD1 3.76Å; V1082-L1086 HydrophobicContact CG1-CG 3.92Å; V1082-L1086 VanDerWaalsContact O-CA 3.28Å; V1082-L1086 WeakPolarHBondContact O-CA 3.39Å; V1082-L1086 WeakPolarHBondContact O-CB 3.38Å; V1082-L1086 WeakPolarHBondContact O-CD1 3.32Å; V1082-L1086 WeakPolarHBondContact O-CG 3.24Å; V1082-L1086 PolarHBondContact O-N 3Å; V1083-L1086 CarbonylContact O-C 3.57Å; L1086-V1090 HydrophobicContact CB-CG2 4.07Å; L1086-V1090 WeakPolarHBondContact O-CB 3.46Å; L1086-V1090 WeakPolarHBondContact O-CG2 3.45Å |
| 1087 | R | 70.6 | Confident | 68.6 | Low | 168 Ų | 168 | 79.2 Ų | 79.2 | 63% | 0.634 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -128.4 | -8.6 | 149.4 | -77.2 | 167.8 | -179.6 | 170.2 | -1.6 | 111.8 | V1083 E1084 A1091 | V1083-R1087 HydrophobicContact CG1-CG 4.03Å; V1083-R1087 WeakPolarHBondContact O-CA 3.37Å; V1083-R1087 WeakPolarHBondContact O-CB 3.28Å; V1083-R1087 WeakPolarHBondContact O-CD 3.37Å; V1083-R1087 WeakPolarHBondContact O-CG 2.96Å; V1083-R1087 PolarHBondContact O-N 2.94Å; E1084-R1087 CarbonylContact O-C 3.41Å; R1087-A1091 VanDerWaalsContact C-N 3.35Å; R1087-A1091 VanDerWaalsContact O-CA 3.31Å; R1087-A1091 WeakPolarHBondContact O-CA 2.97Å; R1087-A1091 WeakPolarHBondContact O-CB 3.33Å; R1087-A1091 PolarHBondContact O-N 3.23Å |
| 1088 | A | 72.4 | Confident | 68.5 | Low | 59 Ų | 59 | 78.3 Ų | 78.3 | 49% | 0.488 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -92.9 | -26 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | E1084 K1092 | E1084-A1088 WeakPolarHBondContact O-CA 3.44Å; E1084-A1088 WeakPolarHBondContact O-CB 2.94Å; E1084-A1088 PolarHBondContact O-N 3.4Å; A1088-K1092 WeakPolarHBondContact O-CA 3.4Å; A1088-K1092 WeakPolarHBondContact O-CB 3.42Å; A1088-K1092 PolarHBondContact O-N 2.85Å |
| 1089 | T | 65.2 | Low | 68.6 | Low | 59 Ų | 59 | 79.8 Ų | 79.8 | 36% | 0.362 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 0.5 | 160 | 87.6 | 0 | 0 | 0 | 0 | 114.3 | E1085 L1093 | E1085-T1089 VanDerWaalsContact O-CA 3.24Å; E1085-T1089 WeakPolarHBondContact O-CA 3.49Å; E1085-T1089 WeakPolarHBondContact O-CB 3.38Å; E1085-T1089 VanDerWaalsContact O-CG2 3.26Å; E1085-T1089 WeakPolarHBondContact O-CG2 3.44Å; E1085-T1089 PolarHBondContact O-N 3.43Å; E1085-T1089 PolarHBondContact O-OG1 2.68Å; T1089-L1093 WeakPolarHBondContact O-CB 2.92Å; T1089-L1093 VanDerWaalsContact O-CD1 3.22Å; T1089-L1093 WeakPolarHBondContact O-CD1 3.39Å; T1089-L1093 WeakPolarHBondContact O-CG 3.33Å; T1089-L1093 PolarHBondContact O-N 3.47Å |
| 1090 | V | 60 | Low | 68.7 | Low | 52 Ų | 52 | 82 Ų | 82 | 32% | 0.315 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -40.7 | 148 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | L1086 K1092 L1093 E1094 | L1086-V1090 HydrophobicContact CB-CG2 4.07Å; L1086-V1090 WeakPolarHBondContact O-CB 3.46Å; L1086-V1090 WeakPolarHBondContact O-CG2 3.45Å; V1090-K1092 PolarHBondContact O-N 2.87Å; V1090-L1093 CarbonylContact O-C 3.31Å; V1090-L1093 WeakPolarHBondContact O-CA 3.44Å; V1090-L1093 PolarHBondContact O-N 3.33Å; V1090-E1094 VanDerWaalsContact CG1-CD 3.46Å; V1090-E1094 HydrophobicContact CG1-CG 3.66Å; V1090-E1094 WeakPolarHBondContact O-CA 3.41Å; V1090-E1094 WeakPolarHBondContact O-CB 3.28Å; V1090-E1094 WeakPolarHBondContact O-CG 3.43Å; V1090-E1094 PolarHBondContact O-N 2.83Å |
| 1091 | A | 72.3 | Confident | 68.6 | Low | 51 Ų | 51 | 83.9 Ų | 83.9 | 42% | 0.421 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -64.4 | -24.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1087 A1095 | R1087-A1091 VanDerWaalsContact C-N 3.35Å; R1087-A1091 VanDerWaalsContact O-CA 3.31Å; R1087-A1091 WeakPolarHBondContact O-CA 2.97Å; R1087-A1091 WeakPolarHBondContact O-CB 3.33Å; R1087-A1091 PolarHBondContact O-N 3.23Å; A1091-A1095 WeakPolarHBondContact O-CA 3.48Å; A1091-A1095 WeakPolarHBondContact O-CB 3.08Å; A1091-A1095 PolarHBondContact O-N 2.82Å |
| 1092 | K | 71.5 | Confident | 68.6 | Low | 106 Ų | 106 | 83.3 Ų | 83.3 | 46% | 0.461 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -87.9 | -18.8 | 166.5 | -174.7 | 179.1 | 173.7 | -64 | 0 | 113.1 | A1088 V1090 E1096 | A1088-K1092 WeakPolarHBondContact O-CA 3.4Å; A1088-K1092 WeakPolarHBondContact O-CB 3.42Å; A1088-K1092 PolarHBondContact O-N 2.85Å; V1090-K1092 PolarHBondContact O-N 2.87Å; K1092-E1096 WeakPolarHBondContact CE-OE1 3.4Å; K1092-E1096 HydrophobicContact CG-CG 4.33Å; K1092-E1096 VanDerWaalsContact NZ-CD 3.28Å; K1092-E1096 IonicContact NZ-OE1 2.82Å; K1092-E1096 PolarHBondContact NZ-OE1 2.79Å; K1092-E1096 IonicContact NZ-OE2 3.74Å; K1092-E1096 PolarHBondContact NZ-OE2 2.84Å; K1092-E1096 VanDerWaalsContact O-CA 3.29Å; K1092-E1096 WeakPolarHBondContact O-CA 3.3Å; K1092-E1096 WeakPolarHBondContact O-CB 3.38Å; K1092-E1096 WeakPolarHBondContact O-CG 3.46Å; K1092-E1096 PolarHBondContact O-N 3.12Å |
| 1093 | L | 65.5 | Low | 68.7 | Low | 83 Ų | 83 | 87.9 Ų | 87.9 | 44% | 0.435 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -98.7 | 27.9 | 161.7 | -61.8 | 167.4 | 0 | 0 | 0 | 112 | T1089 V1090 E1096 V1097 | T1089-L1093 WeakPolarHBondContact O-CB 2.92Å; T1089-L1093 VanDerWaalsContact O-CD1 3.22Å; T1089-L1093 WeakPolarHBondContact O-CD1 3.39Å; T1089-L1093 WeakPolarHBondContact O-CG 3.33Å; T1089-L1093 PolarHBondContact O-N 3.47Å; V1090-L1093 CarbonylContact O-C 3.31Å; V1090-L1093 WeakPolarHBondContact O-CA 3.44Å; V1090-L1093 PolarHBondContact O-N 3.33Å; L1093-E1096 HydrophobicContact CD2-CB 4.33Å; L1093-V1097 WeakPolarHBondContact O-CB 3.27Å; L1093-V1097 WeakPolarHBondContact O-CG2 3.39Å; L1093-V1097 PolarHBondContact O-N 2.94Å |
| 1094 | E | 69.5 | Low | 68.6 | Low | 117 Ų | 117 | 88.8 Ų | 88.8 | 55% | 0.547 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -139.6 | -20.9 | 171.4 | -76.9 | 172 | 154 | 0 | 0 | 107.5 | V1090 A1098 | V1090-E1094 VanDerWaalsContact CG1-CD 3.46Å; V1090-E1094 HydrophobicContact CG1-CG 3.66Å; V1090-E1094 WeakPolarHBondContact O-CA 3.41Å; V1090-E1094 WeakPolarHBondContact O-CB 3.28Å; V1090-E1094 WeakPolarHBondContact O-CG 3.43Å; V1090-E1094 PolarHBondContact O-N 2.83Å; E1094-A1098 VanDerWaalsContact C-N 3.33Å; E1094-A1098 VanDerWaalsContact O-CA 3.28Å; E1094-A1098 WeakPolarHBondContact O-CA 3.29Å; E1094-A1098 WeakPolarHBondContact O-CB 3.28Å; E1094-A1098 PolarHBondContact O-N 3.35Å |
| 1095 | A | 73.1 | Confident | 68.5 | Low | 54 Ų | 54 | 86.2 Ų | 86.2 | 45% | 0.446 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -83.7 | -30.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1091 Q1099 | A1091-A1095 WeakPolarHBondContact O-CA 3.48Å; A1091-A1095 WeakPolarHBondContact O-CB 3.08Å; A1091-A1095 PolarHBondContact O-N 2.82Å; A1095-Q1099 WeakPolarHBondContact O-CA 3.49Å; A1095-Q1099 WeakPolarHBondContact O-CB 3.45Å; A1095-Q1099 VanDerWaalsContact O-CG 3.26Å; A1095-Q1099 WeakPolarHBondContact O-CG 3.42Å; A1095-Q1099 PolarHBondContact O-N 3.08Å |
| 1096 | E | 67.7 | Low | 68.6 | Low | 67 Ų | 67 | 87.8 Ų | 87.8 | 31% | 0.313 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -87.2 | -20.2 | 163.5 | -65.1 | 166.5 | 176.7 | 0 | 0 | 112.2 | K1092 L1093 Q1099 L1100 | K1092-E1096 WeakPolarHBondContact CE-OE1 3.4Å; K1092-E1096 HydrophobicContact CG-CG 4.33Å; K1092-E1096 VanDerWaalsContact NZ-CD 3.28Å; K1092-E1096 IonicContact NZ-OE1 2.82Å; K1092-E1096 PolarHBondContact NZ-OE1 2.79Å; K1092-E1096 IonicContact NZ-OE2 3.74Å; K1092-E1096 PolarHBondContact NZ-OE2 2.84Å; K1092-E1096 VanDerWaalsContact O-CA 3.29Å; K1092-E1096 WeakPolarHBondContact O-CA 3.3Å; K1092-E1096 WeakPolarHBondContact O-CB 3.38Å; K1092-E1096 WeakPolarHBondContact O-CG 3.46Å; K1092-E1096 PolarHBondContact O-N 3.12Å; L1093-E1096 HydrophobicContact CD2-CB 4.33Å; E1096-Q1099 CarbonylContact O-C 3.58Å; E1096-L1100 VanDerWaalsContact O-CA 3.31Å; E1096-L1100 WeakPolarHBondContact O-CA 3.32Å; E1096-L1100 WeakPolarHBondContact O-CB 3.41Å; E1096-L1100 WeakPolarHBondContact O-CD1 3.11Å; E1096-L1100 WeakPolarHBondContact O-CG 3.23Å; E1096-L1100 PolarHBondContact O-N 2.88Å |
| 1097 | V | 62.1 | Low | 68.8 | Low | 58 Ų | 58 | 89.7 Ų | 89.7 | 35% | 0.352 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -90.1 | -7.6 | 161.2 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | L1093 L1100 Q1101 | L1093-V1097 WeakPolarHBondContact O-CB 3.27Å; L1093-V1097 WeakPolarHBondContact O-CG2 3.39Å; L1093-V1097 PolarHBondContact O-N 2.94Å; V1097-L1100 CarbonylContact O-C 2.92Å; V1097-Q1101 HydrophobicContact CG1-CG 3.89Å; V1097-Q1101 VanDerWaalsContact O-CA 3.25Å; V1097-Q1101 WeakPolarHBondContact O-CA 3.23Å; V1097-Q1101 WeakPolarHBondContact O-CB 3.47Å; V1097-Q1101 VanDerWaalsContact O-CD 3.31Å; V1097-Q1101 WeakPolarHBondContact O-CG 3.12Å; V1097-Q1101 PolarHBondContact O-N 3.25Å; V1097-Q1101 PolarHBondContact O-OE1 3.44Å |
| 1098 | A | 72.7 | Confident | 68.6 | Low | 36 Ų | 36 | 85.8 Ų | 85.8 | 30% | 0.298 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -94 | -16 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1094 N1102 | E1094-A1098 VanDerWaalsContact C-N 3.33Å; E1094-A1098 VanDerWaalsContact O-CA 3.28Å; E1094-A1098 WeakPolarHBondContact O-CA 3.29Å; E1094-A1098 WeakPolarHBondContact O-CB 3.28Å; E1094-A1098 PolarHBondContact O-N 3.35Å; A1098-N1102 WeakPolarHBondContact O-CA 3.49Å; A1098-N1102 WeakPolarHBondContact O-CB 3.23Å; A1098-N1102 PolarHBondContact O-N 2.87Å; A1098-N1102 PolarHBondContact O-ND2 2.72Å |
| 1099 | Q | 71.6 | Confident | 68.7 | Low | 119 Ų | 119 | 87.4 Ų | 87.4 | 56% | 0.556 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -88.1 | -18.3 | 160.7 | -78.6 | -168.3 | -26.9 | 0 | 0 | 112.1 | A1095 E1096 R1103 | A1095-Q1099 WeakPolarHBondContact O-CA 3.49Å; A1095-Q1099 WeakPolarHBondContact O-CB 3.45Å; A1095-Q1099 VanDerWaalsContact O-CG 3.26Å; A1095-Q1099 WeakPolarHBondContact O-CG 3.42Å; A1095-Q1099 PolarHBondContact O-N 3.08Å; E1096-Q1099 CarbonylContact O-C 3.58Å; Q1099-R1103 WeakPolarHBondContact O-CA 3.29Å; Q1099-R1103 WeakPolarHBondContact O-CB 3.38Å; Q1099-R1103 WeakPolarHBondContact O-CD 3.46Å; Q1099-R1103 WeakPolarHBondContact O-CG 3.33Å; Q1099-R1103 PolarHBondContact O-N 2.77Å |
| 1100 | L | 65.2 | Low | 69 | Low | 95 Ų | 95 | 87.2 Ų | 87.2 | 50% | 0.497 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -106.1 | 14.1 | 165.1 | -57.3 | 164.7 | 0 | 0 | 0 | 111.6 | E1096 V1097 R1103 L1104 | E1096-L1100 VanDerWaalsContact O-CA 3.31Å; E1096-L1100 WeakPolarHBondContact O-CA 3.32Å; E1096-L1100 WeakPolarHBondContact O-CB 3.41Å; E1096-L1100 WeakPolarHBondContact O-CD1 3.11Å; E1096-L1100 WeakPolarHBondContact O-CG 3.23Å; E1096-L1100 PolarHBondContact O-N 2.88Å; V1097-L1100 CarbonylContact O-C 2.92Å; L1100-R1103 HydrophobicContact CD2-CB 4.35Å; L1100-L1104 WeakPolarHBondContact O-CB 3.21Å; L1100-L1104 PolarHBondContact O-N 2.95Å |
| 1101 | Q | 67.5 | Low | 69.4 | Low | 105 Ų | 105 | 88.2 Ų | 88.2 | 49% | 0.491 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -109.3 | -39.6 | 153.5 | -79.6 | 163.5 | -28.2 | 0 | 0 | 107.8 | V1097 R1103 L1104 D1105 | V1097-Q1101 HydrophobicContact CG1-CG 3.89Å; V1097-Q1101 VanDerWaalsContact O-CA 3.25Å; V1097-Q1101 WeakPolarHBondContact O-CA 3.23Å; V1097-Q1101 WeakPolarHBondContact O-CB 3.47Å; V1097-Q1101 VanDerWaalsContact O-CD 3.31Å; V1097-Q1101 WeakPolarHBondContact O-CG 3.12Å; V1097-Q1101 PolarHBondContact O-N 3.25Å; V1097-Q1101 PolarHBondContact O-OE1 3.44Å; Q1101-R1103 VanDerWaalsContact C-N 3.27Å; Q1101-R1103 PolarHBondContact O-N 3.42Å; Q1101-L1104 CarbonylContact O-C 3.5Å; Q1101-L1104 VanDerWaalsContact O-C 3.32Å; Q1101-L1104 PolarHBondContact O-N 3.42Å; Q1101-L1104 VanDerWaalsContact O-N 3.14Å; Q1101-D1105 VanDerWaalsContact O-CA 3.29Å; Q1101-D1105 WeakPolarHBondContact O-CA 3.32Å; Q1101-D1105 WeakPolarHBondContact O-CB 2.89Å; Q1101-D1105 PolarHBondContact O-N 2.77Å |
| 1102 | N | 72.8 | Confident | 69.2 | Low | 99 Ų | 99 | 88 Ų | 88 | 53% | 0.529 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.7 | -28.7 | 162.4 | -69.1 | -49.4 | 0 | 0 | 0 | 112 | A1098 E1106 | A1098-N1102 WeakPolarHBondContact O-CA 3.49Å; A1098-N1102 WeakPolarHBondContact O-CB 3.23Å; A1098-N1102 PolarHBondContact O-N 2.87Å; A1098-N1102 PolarHBondContact O-ND2 2.72Å; N1102-E1106 WeakPolarHBondContact O-CA 3.42Å; N1102-E1106 WeakPolarHBondContact O-CB 2.78Å; N1102-E1106 WeakPolarHBondContact O-CG 2.87Å; N1102-E1106 PolarHBondContact O-N 2.71Å |
| 1103 | R | 71.4 | Confident | 69.3 | Low | 148 Ų | 148 | 87.4 Ų | 87.4 | 56% | 0.558 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -88.9 | -14.5 | 163.8 | -69 | 172.1 | 171.4 | 163.4 | -2.5 | 115.4 | Q1099 L1100 Q1101 D1105 E1107 | Q1099-R1103 WeakPolarHBondContact O-CA 3.29Å; Q1099-R1103 WeakPolarHBondContact O-CB 3.38Å; Q1099-R1103 WeakPolarHBondContact O-CD 3.46Å; Q1099-R1103 WeakPolarHBondContact O-CG 3.33Å; Q1099-R1103 PolarHBondContact O-N 2.77Å; L1100-R1103 HydrophobicContact CD2-CB 4.35Å; Q1101-R1103 VanDerWaalsContact C-N 3.27Å; Q1101-R1103 PolarHBondContact O-N 3.42Å; R1103-D1105 VanDerWaalsContact C-N 3.33Å; R1103-E1107 VanDerWaalsContact O-CA 3.3Å; R1103-E1107 WeakPolarHBondContact O-CA 3Å; R1103-E1107 WeakPolarHBondContact O-CB 3.46Å; R1103-E1107 WeakPolarHBondContact O-CG 3.29Å; R1103-E1107 PolarHBondContact O-N 2.73Å |
| 1104 | L | 64.3 | Low | 69.5 | Low | 73 Ų | 73 | 85.5 Ų | 85.5 | 38% | 0.382 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -89.3 | -2.2 | 164.8 | -174.4 | 59.5 | 0 | 0 | 0 | 111.8 | L1100 Q1101 E1107 I1108 | L1100-L1104 WeakPolarHBondContact O-CB 3.21Å; L1100-L1104 PolarHBondContact O-N 2.95Å; Q1101-L1104 CarbonylContact O-C 3.5Å; Q1101-L1104 VanDerWaalsContact O-C 3.32Å; Q1101-L1104 PolarHBondContact O-N 3.42Å; Q1101-L1104 VanDerWaalsContact O-N 3.14Å; L1104-E1107 CarbonylContact O-C 3.58Å; L1104-I1108 VanDerWaalsContact C-N 3.26Å; L1104-I1108 HydrophobicContact CD1-CD1 4.26Å; L1104-I1108 HydrophobicContact CD1-CG1 4.14Å; L1104-I1108 HydrophobicContact CG-CD1 3.92Å; L1104-I1108 HydrophobicContact CG-CG1 4.24Å; L1104-I1108 VanDerWaalsContact O-CA 3.26Å; L1104-I1108 WeakPolarHBondContact O-CA 3.04Å; L1104-I1108 WeakPolarHBondContact O-CB 2.94Å; L1104-I1108 VanDerWaalsContact O-CD1 3.25Å; L1104-I1108 WeakPolarHBondContact O-CD1 2.96Å; L1104-I1108 WeakPolarHBondContact O-CG1 3.27Å; L1104-I1108 PolarHBondContact O-N 2.76Å |
| 1105 | D | 71.2 | Confident | 69.1 | Low | 81 Ų | 81 | 82.4 Ų | 82.4 | 43% | 0.433 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -112.7 | -28.3 | 173 | -68.1 | -33.4 | 0 | 0 | 0 | 109.6 | Q1101 R1103 V1109 | Q1101-D1105 VanDerWaalsContact O-CA 3.29Å; Q1101-D1105 WeakPolarHBondContact O-CA 3.32Å; Q1101-D1105 WeakPolarHBondContact O-CB 2.89Å; Q1101-D1105 PolarHBondContact O-N 2.77Å; R1103-D1105 VanDerWaalsContact C-N 3.33Å; D1105-V1109 WeakPolarHBondContact O-CA 3.34Å; D1105-V1109 WeakPolarHBondContact O-CB 3.14Å; D1105-V1109 WeakPolarHBondContact O-CG2 3.17Å; D1105-V1109 PolarHBondContact O-N 3.43Å |
| 1106 | E | 72.8 | Confident | 69 | Low | 128 Ų | 128 | 85.4 Ų | 85.4 | 60% | 0.598 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -70.3 | -33.2 | 153.2 | -71.4 | 166.4 | 179.6 | 0 | 0 | 110.1 | N1102 A1110 | N1102-E1106 WeakPolarHBondContact O-CA 3.42Å; N1102-E1106 WeakPolarHBondContact O-CB 2.78Å; N1102-E1106 WeakPolarHBondContact O-CG 2.87Å; N1102-E1106 PolarHBondContact O-N 2.71Å; E1106-A1110 VanDerWaalsContact O-CA 3.31Å; E1106-A1110 WeakPolarHBondContact O-CA 3.17Å; E1106-A1110 WeakPolarHBondContact O-CB 3.46Å; E1106-A1110 PolarHBondContact O-N 2.81Å |
| 1107 | E | 65.7 | Low | 69.2 | Low | 126 Ų | 126 | 83.8 Ų | 83.8 | 59% | 0.589 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -84.1 | -18.5 | 165.2 | -73.9 | -164.2 | 173.4 | 0 | 0 | 113.4 | R1103 L1104 K1111 | R1103-E1107 VanDerWaalsContact O-CA 3.3Å; R1103-E1107 WeakPolarHBondContact O-CA 3Å; R1103-E1107 WeakPolarHBondContact O-CB 3.46Å; R1103-E1107 WeakPolarHBondContact O-CG 3.29Å; R1103-E1107 PolarHBondContact O-N 2.73Å; L1104-E1107 CarbonylContact O-C 3.58Å; E1107-K1111 VanDerWaalsContact O-CA 3.23Å; E1107-K1111 WeakPolarHBondContact O-CA 3.38Å; E1107-K1111 WeakPolarHBondContact O-CB 3.41Å; E1107-K1111 PolarHBondContact O-N 3.5Å |
| 1108 | I | 66.8 | Low | 69.5 | Low | 86 Ų | 86 | 84.2 Ų | 84.2 | 44% | 0.441 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -83.4 | -27.7 | 168 | -81.6 | 163.2 | 0 | 0 | 0 | 109.5 | L1104 K1111 A1112 | L1104-I1108 VanDerWaalsContact C-N 3.26Å; L1104-I1108 HydrophobicContact CD1-CD1 4.26Å; L1104-I1108 HydrophobicContact CD1-CG1 4.14Å; L1104-I1108 HydrophobicContact CG-CD1 3.92Å; L1104-I1108 HydrophobicContact CG-CG1 4.24Å; L1104-I1108 VanDerWaalsContact O-CA 3.26Å; L1104-I1108 WeakPolarHBondContact O-CA 3.04Å; L1104-I1108 WeakPolarHBondContact O-CB 2.94Å; L1104-I1108 VanDerWaalsContact O-CD1 3.25Å; L1104-I1108 WeakPolarHBondContact O-CD1 2.96Å; L1104-I1108 WeakPolarHBondContact O-CG1 3.27Å; L1104-I1108 PolarHBondContact O-N 2.76Å; I1108-K1111 CarbonylContact O-C 3.36Å; I1108-A1112 VanDerWaalsContact O-CA 3.28Å; I1108-A1112 WeakPolarHBondContact O-CA 3.48Å; I1108-A1112 WeakPolarHBondContact O-CB 2.92Å; I1108-A1112 PolarHBondContact O-N 3.5Å |
| 1109 | V | 74.1 | Confident | 69.2 | Low | 93 Ų | 93 | 88.8 Ų | 88.8 | 56% | 0.564 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -75.6 | -41.5 | 165.6 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | D1105 A1112 V1113 | D1105-V1109 WeakPolarHBondContact O-CA 3.34Å; D1105-V1109 WeakPolarHBondContact O-CB 3.14Å; D1105-V1109 WeakPolarHBondContact O-CG2 3.17Å; D1105-V1109 PolarHBondContact O-N 3.43Å; V1109-A1112 CarbonylContact O-C 3.53Å; V1109-A1112 PolarHBondContact O-N 2.79Å; V1109-V1113 HydrophobicContact CG1-CG2 4.24Å; V1109-V1113 WeakPolarHBondContact O-CA 3.26Å; V1109-V1113 WeakPolarHBondContact O-CB 3.41Å; V1109-V1113 WeakPolarHBondContact O-CG2 2.9Å; V1109-V1113 PolarHBondContact O-N 2.7Å |
| 1110 | A | 70.9 | Confident | 69.2 | Low | 54 Ų | 54 | 87.1 Ų | 87.1 | 45% | 0.446 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -77 | -20.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1106 A1114 | E1106-A1110 VanDerWaalsContact O-CA 3.31Å; E1106-A1110 WeakPolarHBondContact O-CA 3.17Å; E1106-A1110 WeakPolarHBondContact O-CB 3.46Å; E1106-A1110 PolarHBondContact O-N 2.81Å; A1110-A1114 VanDerWaalsContact O-CA 3.25Å; A1110-A1114 WeakPolarHBondContact O-CA 3.42Å; A1110-A1114 WeakPolarHBondContact O-CB 3.44Å; A1110-A1114 PolarHBondContact O-N 3.42Å |
| 1111 | K | 69.2 | Low | 69.3 | Low | 74 Ų | 74 | 89.2 Ų | 89.2 | 32% | 0.322 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -95 | -5.6 | 166 | -172.9 | -178.9 | 164 | -170.3 | 0 | 111.5 | E1107 I1108 Q1115 Q1862 | E1107-K1111 VanDerWaalsContact O-CA 3.23Å; E1107-K1111 WeakPolarHBondContact O-CA 3.38Å; E1107-K1111 WeakPolarHBondContact O-CB 3.41Å; E1107-K1111 PolarHBondContact O-N 3.5Å; I1108-K1111 CarbonylContact O-C 3.36Å; K1111-Q1115 HydrophobicContact CG-CG 4.12Å; K1111-Q1115 VanDerWaalsContact O-CA 3.29Å; K1111-Q1115 WeakPolarHBondContact O-CA 3.3Å; K1111-Q1115 WeakPolarHBondContact O-CB 3.36Å; K1111-Q1115 WeakPolarHBondContact O-CG 3.37Å; K1111-Q1115 PolarHBondContact O-N 3.24Å; K1111-Q1862 VanDerWaalsContact NZ-CD 3.3Å |
| 1112 | A | 68.3 | Low | 69.3 | Low | 47 Ų | 47 | 90.5 Ų | 90.5 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -92.7 | -30.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | I1108 V1109 K1116 | I1108-A1112 VanDerWaalsContact O-CA 3.28Å; I1108-A1112 WeakPolarHBondContact O-CA 3.48Å; I1108-A1112 WeakPolarHBondContact O-CB 2.92Å; I1108-A1112 PolarHBondContact O-N 3.5Å; V1109-A1112 CarbonylContact O-C 3.53Å; V1109-A1112 PolarHBondContact O-N 2.79Å; A1112-K1116 WeakPolarHBondContact O-CA 3.25Å; A1112-K1116 WeakPolarHBondContact O-CB 3.07Å; A1112-K1116 PolarHBondContact O-N 3Å |
| 1113 | V | 72.9 | Confident | 69.3 | Low | 93 Ų | 93 | 88.1 Ų | 88.1 | 56% | 0.564 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -78.6 | -31.7 | 167.2 | 171.7 | 0 | 0 | 0 | 0 | 109.9 | V1109 S1117 | V1109-V1113 HydrophobicContact CG1-CG2 4.24Å; V1109-V1113 WeakPolarHBondContact O-CA 3.26Å; V1109-V1113 WeakPolarHBondContact O-CB 3.41Å; V1109-V1113 WeakPolarHBondContact O-CG2 2.9Å; V1109-V1113 PolarHBondContact O-N 2.7Å; V1113-S1117 WeakPolarHBondContact O-CA 3.07Å; V1113-S1117 VanDerWaalsContact O-CB 3.23Å; V1113-S1117 WeakPolarHBondContact O-CB 3.39Å; V1113-S1117 PolarHBondContact O-N 3.42Å; V1113-S1117 PolarHBondContact O-OG 2.79Å |
| 1114 | A | 69.1 | Low | 69.2 | Low | 42 Ų | 42 | 86 Ų | 86 | 35% | 0.347 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -94.9 | -7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1110 S1117 V1118 | A1110-A1114 VanDerWaalsContact O-CA 3.25Å; A1110-A1114 WeakPolarHBondContact O-CA 3.42Å; A1110-A1114 WeakPolarHBondContact O-CB 3.44Å; A1110-A1114 PolarHBondContact O-N 3.42Å; A1114-S1117 WeakPolarHBondContact CA-OG 3.28Å; A1114-V1118 WeakPolarHBondContact O-CA 3.26Å; A1114-V1118 WeakPolarHBondContact O-CB 3.41Å; A1114-V1118 WeakPolarHBondContact O-CG2 3.28Å; A1114-V1118 PolarHBondContact O-N 2.86Å |
| 1115 | Q | 63 | Low | 69.5 | Low | 52 Ų | 52 | 87.2 Ų | 87.2 | 24% | 0.243 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -91.4 | -15.4 | 153.4 | -77.9 | -167.4 | 1.7 | 0 | 0 | 111.5 | K1111 V1118 R1119 | K1111-Q1115 HydrophobicContact CG-CG 4.12Å; K1111-Q1115 VanDerWaalsContact O-CA 3.29Å; K1111-Q1115 WeakPolarHBondContact O-CA 3.3Å; K1111-Q1115 WeakPolarHBondContact O-CB 3.36Å; K1111-Q1115 WeakPolarHBondContact O-CG 3.37Å; K1111-Q1115 PolarHBondContact O-N 3.24Å; Q1115-V1118 CarbonylContact O-C 3.59Å; Q1115-R1119 WeakPolarHBondContact O-CA 3.17Å; Q1115-R1119 WeakPolarHBondContact O-CB 3.3Å; Q1115-R1119 VanDerWaalsContact O-CD 3.29Å; Q1115-R1119 WeakPolarHBondContact O-CD 2.88Å; Q1115-R1119 WeakPolarHBondContact O-CG 2.97Å; Q1115-R1119 PolarHBondContact O-N 2.7Å; Q1115-R1119 PolarHBondContact O-NE 3.09Å; Q1115-R1119 VanDerWaalsContact O-NE 3.11Å |
| 1116 | K | 70.8 | Confident | 69.5 | Low | 118 Ų | 118 | 88.5 Ų | 88.5 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -78.2 | -45.6 | 165.7 | -170.4 | 176.5 | -175.2 | -84.5 | 0 | 107.9 | A1112 R1119 E1120 | A1112-K1116 WeakPolarHBondContact O-CA 3.25Å; A1112-K1116 WeakPolarHBondContact O-CB 3.07Å; A1112-K1116 PolarHBondContact O-N 3Å; K1116-R1119 CarbonylContact O-C 3.56Å; K1116-R1119 VanDerWaalsContact O-C 3.26Å; K1116-R1119 WeakPolarHBondContact O-CA 3.41Å; K1116-R1119 PolarHBondContact O-N 3.32Å; K1116-E1120 WeakPolarHBondContact CE-OE1 3.07Å; K1116-E1120 HydrophobicContact CG-CG 4.4Å; K1116-E1120 WeakPolarHBondContact CG-OE1 3.49Å; K1116-E1120 IonicContact NZ-OE1 2.75Å; K1116-E1120 PolarHBondContact NZ-OE1 2.96Å; K1116-E1120 IonicContact NZ-OE2 3.71Å; K1116-E1120 VanDerWaalsContact O-CB 3.3Å; K1116-E1120 WeakPolarHBondContact O-CB 2.96Å; K1116-E1120 VanDerWaalsContact O-CG 3.25Å; K1116-E1120 WeakPolarHBondContact O-CG 3.39Å; K1116-E1120 PolarHBondContact O-N 3.43Å |
| 1117 | S | 70.4 | Confident | 69.4 | Low | 32 Ų | 32 | 86.2 Ų | 86.2 | 22% | 0.224 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -69.9 | -32.2 | 168.9 | 89.2 | 0 | 0 | 0 | 0 | 112.9 | V1113 A1114 R1119 E1120 Y1121 | V1113-S1117 WeakPolarHBondContact O-CA 3.07Å; V1113-S1117 VanDerWaalsContact O-CB 3.23Å; V1113-S1117 WeakPolarHBondContact O-CB 3.39Å; V1113-S1117 PolarHBondContact O-N 3.42Å; V1113-S1117 PolarHBondContact O-OG 2.79Å; A1114-S1117 WeakPolarHBondContact CA-OG 3.28Å; S1117-R1119 PolarHBondContact O-N 3.47Å; S1117-E1120 CarbonylContact O-C 3.55Å; S1117-E1120 PolarHBondContact O-N 2.92Å; S1117-Y1121 VanDerWaalsContact O-CA 3.3Å; S1117-Y1121 WeakPolarHBondContact O-CA 3.31Å; S1117-Y1121 WeakPolarHBondContact O-CB 3.47Å; S1117-Y1121 WeakPolarHBondContact O-CD2 3.43Å; S1117-Y1121 PolarHBondContact O-N 3.4Å |
| 1118 | V | 68.2 | Low | 69.5 | Low | 67 Ų | 67 | 85.7 Ų | 85.7 | 41% | 0.406 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -85.5 | 12.3 | 165 | -177.2 | 0 | 0 | 0 | 0 | 112.3 | A1114 Q1115 K1122 | A1114-V1118 WeakPolarHBondContact O-CA 3.26Å; A1114-V1118 WeakPolarHBondContact O-CB 3.41Å; A1114-V1118 WeakPolarHBondContact O-CG2 3.28Å; A1114-V1118 PolarHBondContact O-N 2.86Å; Q1115-V1118 CarbonylContact O-C 3.59Å; V1118-K1122 HydrophobicContact CG1-CD 4Å; V1118-K1122 HydrophobicContact CG1-CG 3.99Å; V1118-K1122 WeakPolarHBondContact O-CB 3.37Å; V1118-K1122 WeakPolarHBondContact O-CD 3.38Å; V1118-K1122 WeakPolarHBondContact O-CG 2.85Å; V1118-K1122 PolarHBondContact O-N 3.11Å |
| 1119 | R | 67.1 | Low | 69.6 | Low | 133 Ų | 133 | 87 Ų | 87 | 50% | 0.502 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -111.8 | -16.9 | 159.1 | -80.2 | 171.9 | -124.9 | 164.7 | -1.2 | 112.5 | Q1115 K1116 S1117 S1123 | Q1115-R1119 WeakPolarHBondContact O-CA 3.17Å; Q1115-R1119 WeakPolarHBondContact O-CB 3.3Å; Q1115-R1119 VanDerWaalsContact O-CD 3.29Å; Q1115-R1119 WeakPolarHBondContact O-CD 2.88Å; Q1115-R1119 WeakPolarHBondContact O-CG 2.97Å; Q1115-R1119 PolarHBondContact O-N 2.7Å; Q1115-R1119 PolarHBondContact O-NE 3.09Å; Q1115-R1119 VanDerWaalsContact O-NE 3.11Å; K1116-R1119 CarbonylContact O-C 3.56Å; K1116-R1119 VanDerWaalsContact O-C 3.26Å; K1116-R1119 WeakPolarHBondContact O-CA 3.41Å; K1116-R1119 PolarHBondContact O-N 3.32Å; S1117-R1119 PolarHBondContact O-N 3.47Å; R1119-S1123 WeakPolarHBondContact O-CA 3.04Å; R1119-S1123 WeakPolarHBondContact O-CB 3.48Å; R1119-S1123 PolarHBondContact O-N 3.23Å |
| 1120 | E | 71.7 | Confident | 69.4 | Low | 83 Ų | 83 | 87.7 Ų | 87.7 | 39% | 0.388 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -95.8 | -23.2 | 172.3 | -70.8 | 161.7 | 165.6 | 0 | 0 | 109.6 | K1116 S1117 H1124 | K1116-E1120 WeakPolarHBondContact CE-OE1 3.07Å; K1116-E1120 HydrophobicContact CG-CG 4.4Å; K1116-E1120 WeakPolarHBondContact CG-OE1 3.49Å; K1116-E1120 IonicContact NZ-OE1 2.75Å; K1116-E1120 PolarHBondContact NZ-OE1 2.96Å; K1116-E1120 IonicContact NZ-OE2 3.71Å; K1116-E1120 VanDerWaalsContact O-CB 3.3Å; K1116-E1120 WeakPolarHBondContact O-CB 2.96Å; K1116-E1120 VanDerWaalsContact O-CG 3.25Å; K1116-E1120 WeakPolarHBondContact O-CG 3.39Å; K1116-E1120 PolarHBondContact O-N 3.43Å; S1117-E1120 CarbonylContact O-C 3.55Å; S1117-E1120 PolarHBondContact O-N 2.92Å; E1120-H1124 WeakPolarHBondContact O-CA 3.44Å; E1120-H1124 WeakPolarHBondContact O-CB 3.04Å; E1120-H1124 PolarHBondContact O-CD2 2.75Å; E1120-H1124 PolarHBondContact O-N 3.4Å; E1120-H1124 PolarHBondContact O-ND1 3.33Å |
| 1121 | Y | 68.3 | Low | 69.4 | Low | 140 Ų | 140 | 89.8 Ų | 89.8 | 55% | 0.549 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -94.9 | -15.4 | 162 | -58.5 | -45.2 | 0 | 0 | 0 | 111.6 | S1117 I1125 | S1117-Y1121 VanDerWaalsContact O-CA 3.3Å; S1117-Y1121 WeakPolarHBondContact O-CA 3.31Å; S1117-Y1121 WeakPolarHBondContact O-CB 3.47Å; S1117-Y1121 WeakPolarHBondContact O-CD2 3.43Å; S1117-Y1121 PolarHBondContact O-N 3.4Å; Y1121-I1125 WeakPolarHBondContact O-CA 2.98Å; Y1121-I1125 WeakPolarHBondContact O-CB 2.92Å; Y1121-I1125 VanDerWaalsContact O-CD1 3.22Å; Y1121-I1125 WeakPolarHBondContact O-CD1 3.33Å; Y1121-I1125 WeakPolarHBondContact O-CG1 3.16Å; Y1121-I1125 PolarHBondContact O-N 3.21Å |
| 1122 | K | 65.9 | Low | 69.4 | Low | 131 Ų | 131 | 89.8 Ų | 89.8 | 57% | 0.57 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -87.5 | -22.8 | 156.9 | -74.3 | -178.5 | 177.6 | -179.2 | 0 | 112.4 | V1118 Q1126 | V1118-K1122 HydrophobicContact CG1-CD 4Å; V1118-K1122 HydrophobicContact CG1-CG 3.99Å; V1118-K1122 WeakPolarHBondContact O-CB 3.37Å; V1118-K1122 WeakPolarHBondContact O-CD 3.38Å; V1118-K1122 WeakPolarHBondContact O-CG 2.85Å; V1118-K1122 PolarHBondContact O-N 3.11Å; K1122-Q1126 WeakPolarHBondContact O-CB 3.12Å; K1122-Q1126 PolarHBondContact O-N 2.87Å |
| 1123 | S | 72.4 | Confident | 69.4 | Low | 50 Ų | 50 | 92.7 Ų | 92.7 | 35% | 0.35 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.3 | -55.2 | 161.5 | -168.2 | 0 | 0 | 0 | 0 | 107.5 | R1119 I1125 Q1126 E1127 | R1119-S1123 WeakPolarHBondContact O-CA 3.04Å; R1119-S1123 WeakPolarHBondContact O-CB 3.48Å; R1119-S1123 PolarHBondContact O-N 3.23Å; S1123-I1125 VanDerWaalsContact C-N 3.28Å; S1123-I1125 PolarHBondContact O-N 2.74Å; S1123-I1125 VanDerWaalsContact O-N 3.16Å; S1123-Q1126 CarbonylContact O-C 3.53Å; S1123-Q1126 WeakPolarHBondContact O-CA 3.45Å; S1123-Q1126 WeakPolarHBondContact O-CB 3.47Å; S1123-Q1126 PolarHBondContact O-N 2.74Å; S1123-E1127 WeakPolarHBondContact CB-OE2 3.39Å; S1123-E1127 WeakPolarHBondContact O-CB 3.34Å; S1123-E1127 WeakPolarHBondContact O-CG 3.27Å; S1123-E1127 PolarHBondContact O-N 3.12Å; S1123-E1127 VanDerWaalsContact OG-CD 3.28Å; S1123-E1127 PolarHBondContact OG-OE2 2.75Å |
| 1124 | H | 69.9 | Low | 69.4 | Low | 104 Ų | 104 | 90.6 Ų | 90.6 | 48% | 0.481 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.2 | -13.4 | 175.6 | -65.3 | -11.1 | 0 | 0 | 0 | 115.2 | E1120 E1127 L1128 | E1120-H1124 WeakPolarHBondContact O-CA 3.44Å; E1120-H1124 WeakPolarHBondContact O-CB 3.04Å; E1120-H1124 PolarHBondContact O-CD2 2.75Å; E1120-H1124 PolarHBondContact O-N 3.4Å; E1120-H1124 PolarHBondContact O-ND1 3.33Å; H1124-E1127 IonicContact CE1-OE2 2.8Å; H1124-E1127 IonicContact CG-OE2 3.58Å; H1124-E1127 PolarHBondContact N-OE2 2.94Å; H1124-E1127 IonicContact ND1-OE2 3.35Å; H1124-E1127 PolarHBondContact ND1-OE2 2.75Å; H1124-L1128 WeakPolarHBondContact O-CA 3.08Å; H1124-L1128 WeakPolarHBondContact O-CB 3.47Å; H1124-L1128 VanDerWaalsContact O-CD1 3.3Å; H1124-L1128 WeakPolarHBondContact O-CD1 3.34Å; H1124-L1128 WeakPolarHBondContact O-CG 3.32Å; H1124-L1128 PolarHBondContact O-N 2.78Å |
| 1125 | I | 70.3 | Confident | 69.4 | Low | 97 Ų | 97 | 93.2 Ų | 93.2 | 50% | 0.497 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -93.5 | -12.1 | 164.7 | -68.8 | 165.3 | 0 | 0 | 0 | 111.2 | Y1121 S1123 K1129 | Y1121-I1125 WeakPolarHBondContact O-CA 2.98Å; Y1121-I1125 WeakPolarHBondContact O-CB 2.92Å; Y1121-I1125 VanDerWaalsContact O-CD1 3.22Å; Y1121-I1125 WeakPolarHBondContact O-CD1 3.33Å; Y1121-I1125 WeakPolarHBondContact O-CG1 3.16Å; Y1121-I1125 PolarHBondContact O-N 3.21Å; S1123-I1125 VanDerWaalsContact C-N 3.28Å; S1123-I1125 PolarHBondContact O-N 2.74Å; S1123-I1125 VanDerWaalsContact O-N 3.16Å; I1125-K1129 HydrophobicContact CG2-CD 4.39Å; I1125-K1129 HydrophobicContact CG2-CG 4.5Å; I1125-K1129 WeakPolarHBondContact O-CB 3.35Å; I1125-K1129 WeakPolarHBondContact O-CD 3.49Å; I1125-K1129 WeakPolarHBondContact O-CG 3.38Å; I1125-K1129 PolarHBondContact O-N 3.43Å |
| 1126 | Q | 70.9 | Confident | 69.6 | Low | 109 Ų | 109 | 97.9 Ų | 97.9 | 51% | 0.509 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -85.4 | -44.4 | 167.5 | -174.3 | 85.1 | 31 | 0 | 0 | 109.5 | K1122 S1123 K1129 E1130 | K1122-Q1126 WeakPolarHBondContact O-CB 3.12Å; K1122-Q1126 PolarHBondContact O-N 2.87Å; S1123-Q1126 CarbonylContact O-C 3.53Å; S1123-Q1126 WeakPolarHBondContact O-CA 3.45Å; S1123-Q1126 WeakPolarHBondContact O-CB 3.47Å; S1123-Q1126 PolarHBondContact O-N 2.74Å; Q1126-K1129 CarbonylContact O-C 3.53Å; Q1126-K1129 WeakPolarHBondContact O-CA 3.43Å; Q1126-K1129 PolarHBondContact O-N 2.77Å; Q1126-K1129 VanDerWaalsContact O-N 3.1Å; Q1126-E1130 WeakPolarHBondContact CG-OE1 3.37Å; Q1126-E1130 PolarHBondContact NE2-OE1 3.44Å; Q1126-E1130 VanDerWaalsContact O-CB 3.29Å; Q1126-E1130 WeakPolarHBondContact O-CB 3.3Å; Q1126-E1130 VanDerWaalsContact O-CG 3.3Å; Q1126-E1130 WeakPolarHBondContact O-CG 3.29Å; Q1126-E1130 PolarHBondContact O-N 3.17Å |
| 1127 | E | 71.1 | Confident | 69.6 | Low | 80 Ų | 80 | 98.2 Ų | 98.2 | 37% | 0.374 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.7 | -53.9 | 166.8 | -63.3 | 160.6 | 125 | 0 | 0 | 109.4 | S1123 H1124 K1129 E1130 D1131 | S1123-E1127 WeakPolarHBondContact CB-OE2 3.39Å; S1123-E1127 WeakPolarHBondContact O-CB 3.34Å; S1123-E1127 WeakPolarHBondContact O-CG 3.27Å; S1123-E1127 PolarHBondContact O-N 3.12Å; S1123-E1127 VanDerWaalsContact OG-CD 3.28Å; S1123-E1127 PolarHBondContact OG-OE2 2.75Å; H1124-E1127 IonicContact CE1-OE2 2.8Å; H1124-E1127 IonicContact CG-OE2 3.58Å; H1124-E1127 PolarHBondContact N-OE2 2.94Å; H1124-E1127 IonicContact ND1-OE2 3.35Å; H1124-E1127 PolarHBondContact ND1-OE2 2.75Å; E1127-K1129 PolarHBondContact O-N 2.74Å; E1127-E1130 CarbonylContact O-C 3.5Å; E1127-E1130 PolarHBondContact O-N 3.09Å; E1127-D1131 WeakPolarHBondContact O-CA 3.48Å; E1127-D1131 WeakPolarHBondContact O-CB 3.35Å; E1127-D1131 VanDerWaalsContact O-CG 3.32Å; E1127-D1131 PolarHBondContact O-N 2.78Å |
| 1128 | L | 69.2 | Low | 69.6 | Low | 114 Ų | 114 | 99.5 Ų | 99.5 | 60% | 0.597 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.3 | 9.7 | 167.6 | -59.1 | 165.9 | 0 | 0 | 0 | 114.1 | H1124 L1132 | H1124-L1128 WeakPolarHBondContact O-CA 3.08Å; H1124-L1128 WeakPolarHBondContact O-CB 3.47Å; H1124-L1128 VanDerWaalsContact O-CD1 3.3Å; H1124-L1128 WeakPolarHBondContact O-CD1 3.34Å; H1124-L1128 WeakPolarHBondContact O-CG 3.32Å; H1124-L1128 PolarHBondContact O-N 2.78Å; L1128-L1132 WeakPolarHBondContact O-CB 3.45Å |
| 1129 | K | 68.3 | Low | 69.6 | Low | 114 Ų | 114 | 102.6 Ų | 102.6 | 50% | 0.496 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -109.6 | -29.1 | 160.7 | -87.6 | -178.3 | 172.5 | -158.9 | 0 | 113.5 | I1125 Q1126 E1127 L1132 E1133 | I1125-K1129 HydrophobicContact CG2-CD 4.39Å; I1125-K1129 HydrophobicContact CG2-CG 4.5Å; I1125-K1129 WeakPolarHBondContact O-CB 3.35Å; I1125-K1129 WeakPolarHBondContact O-CD 3.49Å; I1125-K1129 WeakPolarHBondContact O-CG 3.38Å; I1125-K1129 PolarHBondContact O-N 3.43Å; Q1126-K1129 CarbonylContact O-C 3.53Å; Q1126-K1129 WeakPolarHBondContact O-CA 3.43Å; Q1126-K1129 PolarHBondContact O-N 2.77Å; Q1126-K1129 VanDerWaalsContact O-N 3.1Å; E1127-K1129 PolarHBondContact O-N 2.74Å; K1129-L1132 CarbonylContact O-C 3.59Å; K1129-E1133 WeakPolarHBondContact O-CA 3.45Å; K1129-E1133 WeakPolarHBondContact O-CB 3.26Å; K1129-E1133 WeakPolarHBondContact O-CG 3.45Å; K1129-E1133 PolarHBondContact O-N 3.37Å |
| 1130 | E | 69.6 | Low | 69.7 | Low | 108 Ų | 108 | 101.1 Ų | 101.1 | 51% | 0.505 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -83.5 | -26.1 | 174.4 | -74 | 170.2 | -159.7 | 0 | 0 | 109.6 | Q1126 E1127 A1134 | Q1126-E1130 WeakPolarHBondContact CG-OE1 3.37Å; Q1126-E1130 PolarHBondContact NE2-OE1 3.44Å; Q1126-E1130 VanDerWaalsContact O-CB 3.29Å; Q1126-E1130 WeakPolarHBondContact O-CB 3.3Å; Q1126-E1130 VanDerWaalsContact O-CG 3.3Å; Q1126-E1130 WeakPolarHBondContact O-CG 3.29Å; Q1126-E1130 PolarHBondContact O-N 3.17Å; E1127-E1130 CarbonylContact O-C 3.5Å; E1127-E1130 PolarHBondContact O-N 3.09Å; E1130-A1134 WeakPolarHBondContact O-CA 3.4Å; E1130-A1134 WeakPolarHBondContact O-CB 3.45Å; E1130-A1134 PolarHBondContact O-N 2.86Å |
| 1131 | D | 70.1 | Confident | 69.7 | Low | 98 Ų | 98 | 104 Ų | 104 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -84.4 | -26.3 | 163.2 | -65.3 | -31.4 | 0 | 0 | 0 | 111.9 | E1127 E1135 | E1127-D1131 WeakPolarHBondContact O-CA 3.48Å; E1127-D1131 WeakPolarHBondContact O-CB 3.35Å; E1127-D1131 VanDerWaalsContact O-CG 3.32Å; E1127-D1131 PolarHBondContact O-N 2.78Å; D1131-E1135 VanDerWaalsContact O-CA 3.29Å; D1131-E1135 WeakPolarHBondContact O-CA 3.35Å; D1131-E1135 WeakPolarHBondContact O-CB 3.43Å; D1131-E1135 PolarHBondContact O-N 2.85Å |
| 1132 | L | 69.6 | Low | 69.8 | Low | 73 Ų | 73 | 99.9 Ų | 99.9 | 38% | 0.382 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -82.8 | -22.5 | 166.8 | -177.2 | 64.4 | 0 | 0 | 0 | 111.5 | L1128 K1129 R1136 | L1128-L1132 WeakPolarHBondContact O-CB 3.45Å; K1129-L1132 CarbonylContact O-C 3.59Å; L1132-R1136 HydrophobicContact CD1-CG 4.42Å; L1132-R1136 WeakPolarHBondContact O-CA 3.44Å; L1132-R1136 WeakPolarHBondContact O-CB 3.32Å; L1132-R1136 WeakPolarHBondContact O-CD 3.45Å; L1132-R1136 WeakPolarHBondContact O-CG 3.39Å; L1132-R1136 PolarHBondContact O-N 2.91Å |
| 1133 | E | 69.3 | Low | 70 | Confident | 109 Ų | 109 | 96.7 Ų | 96.7 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -88.4 | -25 | 169.8 | -73.3 | 175.2 | -167.1 | 0 | 0 | 111.3 | K1129 M1137 | K1129-E1133 WeakPolarHBondContact O-CA 3.45Å; K1129-E1133 WeakPolarHBondContact O-CB 3.26Å; K1129-E1133 WeakPolarHBondContact O-CG 3.45Å; K1129-E1133 PolarHBondContact O-N 3.37Å; E1133-M1137 WeakPolarHBondContact O-CB 3.4Å; E1133-M1137 WeakPolarHBondContact O-CG 3.35Å; E1133-M1137 PolarHBondContact O-N 3.38Å |
| 1134 | A | 72.2 | Confident | 69.9 | Low | 49 Ų | 49 | 100 Ų | 100 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -83.2 | -35.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1130 A1138 | E1130-A1134 WeakPolarHBondContact O-CA 3.4Å; E1130-A1134 WeakPolarHBondContact O-CB 3.45Å; E1130-A1134 PolarHBondContact O-N 2.86Å; A1134-A1138 WeakPolarHBondContact O-CA 3.33Å; A1134-A1138 WeakPolarHBondContact O-CB 3.3Å; A1134-A1138 PolarHBondContact O-N 3.48Å |
| 1135 | E | 69.4 | Low | 69.9 | Low | 97 Ų | 97 | 97.3 Ų | 97.3 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 165.6 | -167.1 | -162.4 | -170.2 | 0 | 0 | 108.8 | D1131 A1138 R1139 | D1131-E1135 VanDerWaalsContact O-CA 3.29Å; D1131-E1135 WeakPolarHBondContact O-CA 3.35Å; D1131-E1135 WeakPolarHBondContact O-CB 3.43Å; D1131-E1135 PolarHBondContact O-N 2.85Å; E1135-A1138 CarbonylContact O-C 3.58Å; E1135-A1138 PolarHBondContact O-N 2.74Å; E1135-R1139 WeakPolarHBondContact O-CA 3.36Å; E1135-R1139 WeakPolarHBondContact O-CB 3.3Å; E1135-R1139 PolarHBondContact O-N 3.11Å; E1135-R1139 IonicContact OE1-CZ 2.66Å; E1135-R1139 IonicContact OE1-NH1 3.9Å; E1135-R1139 PolarHBondContact OE1-NH1 2.8Å; E1135-R1139 IonicContact OE2-NH1 2.98Å |
| 1136 | R | 67.5 | Low | 69.9 | Low | 150 Ų | 150 | 98.5 Ų | 98.5 | 57% | 0.566 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.8 | -45.9 | 170 | -78.7 | 168.1 | 176.9 | -151.5 | -3.2 | 111.8 | L1132 A1138 R1139 D1140 | L1132-R1136 HydrophobicContact CD1-CG 4.42Å; L1132-R1136 WeakPolarHBondContact O-CA 3.44Å; L1132-R1136 WeakPolarHBondContact O-CB 3.32Å; L1132-R1136 WeakPolarHBondContact O-CD 3.45Å; L1132-R1136 WeakPolarHBondContact O-CG 3.39Å; L1132-R1136 PolarHBondContact O-N 2.91Å; R1136-A1138 VanDerWaalsContact C-N 3.27Å; R1136-A1138 PolarHBondContact O-N 2.89Å; R1136-R1139 CarbonylContact O-C 3.59Å; R1136-R1139 PolarHBondContact O-N 2.63Å; R1136-D1140 WeakPolarHBondContact O-CA 3.4Å; R1136-D1140 WeakPolarHBondContact O-CB 3.38Å; R1136-D1140 PolarHBondContact O-N 2.56Å |
| 1137 | M | 70.2 | Confident | 70 | Confident | 125 Ų | 125 | 101.6 Ų | 101.6 | 62% | 0.616 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.5 | -27.3 | 175.8 | -76.1 | -175.9 | -141.8 | 0 | 0 | 113 | E1133 K1141 | E1133-M1137 WeakPolarHBondContact O-CB 3.4Å; E1133-M1137 WeakPolarHBondContact O-CG 3.35Å; E1133-M1137 PolarHBondContact O-N 3.38Å; M1137-K1141 WeakPolarHBondContact O-CB 3.26Å; M1137-K1141 WeakPolarHBondContact O-CG 3.14Å; M1137-K1141 PolarHBondContact O-N 2.89Å |
| 1138 | A | 70 | Confident | 70 | Confident | 59 Ų | 59 | 102.4 Ų | 102.4 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -85.1 | -23.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1134 E1135 R1136 A1142 | A1134-A1138 WeakPolarHBondContact O-CA 3.33Å; A1134-A1138 WeakPolarHBondContact O-CB 3.3Å; A1134-A1138 PolarHBondContact O-N 3.48Å; E1135-A1138 CarbonylContact O-C 3.58Å; E1135-A1138 PolarHBondContact O-N 2.74Å; R1136-A1138 VanDerWaalsContact C-N 3.27Å; R1136-A1138 PolarHBondContact O-N 2.89Å; A1138-A1142 WeakPolarHBondContact O-CA 3.33Å; A1138-A1142 WeakPolarHBondContact O-CB 3.38Å; A1138-A1142 PolarHBondContact O-N 2.89Å |
| 1139 | R | 69.7 | Low | 70 | Confident | 131 Ų | 131 | 101.9 Ų | 101.9 | 49% | 0.494 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -90.9 | -33.9 | 177 | -171.8 | -171.7 | -147.9 | 112.2 | 3.9 | 111.2 | E1135 R1136 A1142 D1143 | E1135-R1139 WeakPolarHBondContact O-CA 3.36Å; E1135-R1139 WeakPolarHBondContact O-CB 3.3Å; E1135-R1139 PolarHBondContact O-N 3.11Å; E1135-R1139 IonicContact OE1-CZ 2.66Å; E1135-R1139 IonicContact OE1-NH1 3.9Å; E1135-R1139 PolarHBondContact OE1-NH1 2.8Å; E1135-R1139 IonicContact OE2-NH1 2.98Å; R1136-R1139 CarbonylContact O-C 3.59Å; R1136-R1139 PolarHBondContact O-N 2.63Å; R1139-A1142 CarbonylContact O-C 3.48Å; R1139-A1142 PolarHBondContact O-N 2.8Å; R1139-D1143 WeakPolarHBondContact O-CA 3.3Å; R1139-D1143 WeakPolarHBondContact O-CB 3.36Å; R1139-D1143 PolarHBondContact O-N 3.3Å |
| 1140 | D | 68.9 | Low | 70.1 | Confident | 102 Ų | 102 | 99.8 Ų | 99.8 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -48.7 | 162.8 | -66.6 | -26.5 | 0 | 0 | 0 | 107.5 | R1136 A1142 D1143 E1144 | R1136-D1140 WeakPolarHBondContact O-CA 3.4Å; R1136-D1140 WeakPolarHBondContact O-CB 3.38Å; R1136-D1140 PolarHBondContact O-N 2.56Å; D1140-A1142 VanDerWaalsContact C-N 3.29Å; D1140-A1142 PolarHBondContact O-N 3.33Å; D1140-D1143 CarbonylContact O-C 3.57Å; D1140-D1143 PolarHBondContact O-N 3.13Å; D1140-E1144 WeakPolarHBondContact O-CA 3.43Å; D1140-E1144 WeakPolarHBondContact O-CB 3.26Å; D1140-E1144 PolarHBondContact O-N 3.24Å |
| 1141 | K | 71.4 | Confident | 70.2 | Confident | 144 Ų | 144 | 101 Ų | 101 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -30.7 | 169.4 | -82.5 | 179.4 | 173.8 | 178.4 | 0 | 114.1 | M1137 A1145 | M1137-K1141 WeakPolarHBondContact O-CB 3.26Å; M1137-K1141 WeakPolarHBondContact O-CG 3.14Å; M1137-K1141 PolarHBondContact O-N 2.89Å; K1141-A1145 WeakPolarHBondContact O-CA 2.85Å; K1141-A1145 WeakPolarHBondContact O-CB 3.34Å; K1141-A1145 PolarHBondContact O-N 2.66Å |
| 1142 | A | 70.6 | Confident | 70.3 | Confident | 53 Ų | 53 | 101.8 Ų | 101.8 | 44% | 0.438 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -82.8 | -29.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1138 R1139 D1140 K1146 | A1138-A1142 WeakPolarHBondContact O-CA 3.33Å; A1138-A1142 WeakPolarHBondContact O-CB 3.38Å; A1138-A1142 PolarHBondContact O-N 2.89Å; R1139-A1142 CarbonylContact O-C 3.48Å; R1139-A1142 PolarHBondContact O-N 2.8Å; D1140-A1142 VanDerWaalsContact C-N 3.29Å; D1140-A1142 PolarHBondContact O-N 3.33Å; A1142-K1146 WeakPolarHBondContact O-CA 3.14Å; A1142-K1146 WeakPolarHBondContact O-CB 3.38Å; A1142-K1146 PolarHBondContact O-N 2.74Å |
| 1143 | D | 69.2 | Low | 70.3 | Confident | 64 Ų | 64 | 101.8 Ų | 101.8 | 34% | 0.342 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -88.2 | -16.5 | 173.2 | -76.6 | -38.5 | 0 | 0 | 0 | 111.8 | R1139 D1140 K1146 R1147 | R1139-D1143 WeakPolarHBondContact O-CA 3.3Å; R1139-D1143 WeakPolarHBondContact O-CB 3.36Å; R1139-D1143 PolarHBondContact O-N 3.3Å; D1140-D1143 CarbonylContact O-C 3.57Å; D1140-D1143 PolarHBondContact O-N 3.13Å; D1143-K1146 IonicContact OD1-NZ 2.89Å; D1143-K1146 PolarHBondContact OD1-NZ 2.83Å; D1143-R1147 WeakPolarHBondContact O-CB 3.15Å; D1143-R1147 VanDerWaalsContact O-CG 3.26Å; D1143-R1147 WeakPolarHBondContact O-CG 3.5Å; D1143-R1147 PolarHBondContact O-N 2.92Å |
| 1144 | E | 70.5 | Confident | 70.3 | Confident | 120 Ų | 120 | 102 Ų | 102 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -77.6 | -55.8 | 162.8 | -173.4 | 170.7 | -121.3 | 0 | 0 | 108.9 | D1140 K1146 R1147 D1148 | D1140-E1144 WeakPolarHBondContact O-CA 3.43Å; D1140-E1144 WeakPolarHBondContact O-CB 3.26Å; D1140-E1144 PolarHBondContact O-N 3.24Å; E1144-K1146 PolarHBondContact O-N 3.31Å; E1144-R1147 CarbonylContact O-C 3.42Å; E1144-R1147 WeakPolarHBondContact O-CA 2.93Å; E1144-R1147 WeakPolarHBondContact O-CB 3.29Å; E1144-R1147 PolarHBondContact O-N 2.88Å; E1144-D1148 VanDerWaalsContact O-CG 3.31Å; E1144-D1148 PolarHBondContact O-N 3.08Å |
| 1145 | A | 69.8 | Low | 70.3 | Confident | 47 Ų | 47 | 102 Ų | 102 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -25.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K1141 L1149 | K1141-A1145 WeakPolarHBondContact O-CA 2.85Å; K1141-A1145 WeakPolarHBondContact O-CB 3.34Å; K1141-A1145 PolarHBondContact O-N 2.66Å; A1145-L1149 WeakPolarHBondContact O-CB 3.17Å; A1145-L1149 WeakPolarHBondContact O-CD1 3.1Å; A1145-L1149 VanDerWaalsContact O-CG 3.26Å; A1145-L1149 WeakPolarHBondContact O-CG 3.25Å; A1145-L1149 PolarHBondContact O-N 3.25Å |
| 1146 | K | 71.4 | Confident | 70 | Confident | 122 Ų | 122 | 102.4 Ų | 102.4 | 53% | 0.53 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -86.9 | -21.2 | 170.5 | 176.7 | 178.3 | 146 | -140.6 | 0 | 112.6 | A1142 D1143 E1144 T1150 | A1142-K1146 WeakPolarHBondContact O-CA 3.14Å; A1142-K1146 WeakPolarHBondContact O-CB 3.38Å; A1142-K1146 PolarHBondContact O-N 2.74Å; D1143-K1146 IonicContact OD1-NZ 2.89Å; D1143-K1146 PolarHBondContact OD1-NZ 2.83Å; E1144-K1146 PolarHBondContact O-N 3.31Å; K1146-T1150 WeakPolarHBondContact O-CB 2.97Å; K1146-T1150 PolarHBondContact O-N 3.21Å; K1146-T1150 PolarHBondContact O-OG1 3.25Å |
| 1147 | R | 71.1 | Confident | 70 | Confident | 175 Ų | 175 | 102.8 Ų | 102.8 | 66% | 0.66 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.5 | -52.8 | 161.3 | -95.8 | -179.9 | 171.6 | 131.8 | -0.7 | 109 | D1143 E1144 L1149 T1150 E1151 | D1143-R1147 WeakPolarHBondContact O-CB 3.15Å; D1143-R1147 VanDerWaalsContact O-CG 3.26Å; D1143-R1147 WeakPolarHBondContact O-CG 3.5Å; D1143-R1147 PolarHBondContact O-N 2.92Å; E1144-R1147 CarbonylContact O-C 3.42Å; E1144-R1147 WeakPolarHBondContact O-CA 2.93Å; E1144-R1147 WeakPolarHBondContact O-CB 3.29Å; E1144-R1147 PolarHBondContact O-N 2.88Å; R1147-L1149 VanDerWaalsContact C-N 3.34Å; R1147-L1149 PolarHBondContact O-N 2.65Å; R1147-T1150 CarbonylContact O-C 3.46Å; R1147-T1150 WeakPolarHBondContact O-CA 3.37Å; R1147-T1150 PolarHBondContact O-N 3.35Å; R1147-E1151 WeakPolarHBondContact O-CB 3.34Å; R1147-E1151 PolarHBondContact O-N 3.05Å |
| 1148 | D | 72.2 | Confident | 69.7 | Low | 96 Ų | 96 | 102.2 Ų | 102.2 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -53.6 | -48.6 | 174.7 | -64.3 | -10.5 | 0 | 0 | 0 | 110.9 | E1144 T1150 E1151 E1152 | E1144-D1148 VanDerWaalsContact O-CG 3.31Å; E1144-D1148 PolarHBondContact O-N 3.08Å; D1148-T1150 PolarHBondContact O-N 2.85Å; D1148-E1151 PolarHBondContact O-N 3.37Å; D1148-E1152 VanDerWaalsContact O-CB 3.28Å; D1148-E1152 WeakPolarHBondContact O-CB 3.41Å; D1148-E1152 WeakPolarHBondContact O-CG 3.13Å; D1148-E1152 PolarHBondContact O-N 2.92Å |
| 1149 | L | 68.9 | Low | 69.6 | Low | 103 Ų | 103 | 106.2 Ų | 106.2 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.7 | -26.2 | 174.7 | -79.5 | 164.9 | 0 | 0 | 0 | 114 | A1145 R1147 V1153 | A1145-L1149 WeakPolarHBondContact O-CB 3.17Å; A1145-L1149 WeakPolarHBondContact O-CD1 3.1Å; A1145-L1149 VanDerWaalsContact O-CG 3.26Å; A1145-L1149 WeakPolarHBondContact O-CG 3.25Å; A1145-L1149 PolarHBondContact O-N 3.25Å; R1147-L1149 VanDerWaalsContact C-N 3.34Å; R1147-L1149 PolarHBondContact O-N 2.65Å; L1149-V1153 WeakPolarHBondContact O-CB 3.13Å; L1149-V1153 WeakPolarHBondContact O-CG2 3.4Å; L1149-V1153 PolarHBondContact O-N 3.39Å |
| 1150 | T | 70.9 | Confident | 68.9 | Low | 70 Ų | 70 | 104.8 Ų | 104.8 | 43% | 0.429 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -80.3 | -36.2 | 174.9 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | K1146 R1147 D1148 V1153 E1154 | K1146-T1150 WeakPolarHBondContact O-CB 2.97Å; K1146-T1150 PolarHBondContact O-N 3.21Å; K1146-T1150 PolarHBondContact O-OG1 3.25Å; R1147-T1150 CarbonylContact O-C 3.46Å; R1147-T1150 WeakPolarHBondContact O-CA 3.37Å; R1147-T1150 PolarHBondContact O-N 3.35Å; D1148-T1150 PolarHBondContact O-N 2.85Å; T1150-V1153 CarbonylContact O-C 3.28Å; T1150-V1153 PolarHBondContact O-N 3Å; T1150-E1154 HydrophobicContact CG2-CG 4.42Å; T1150-E1154 WeakPolarHBondContact O-CB 3.43Å; T1150-E1154 WeakPolarHBondContact O-CG 3.07Å; T1150-E1154 PolarHBondContact O-N 2.83Å |
| 1151 | E | 72.1 | Confident | 68.7 | Low | 133 Ų | 133 | 106.1 Ų | 106.1 | 62% | 0.621 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.6 | -36 | 172.2 | -70.6 | -170.4 | -165.5 | 0 | 0 | 110.7 | R1147 D1148 A1155 | R1147-E1151 WeakPolarHBondContact O-CB 3.34Å; R1147-E1151 PolarHBondContact O-N 3.05Å; D1148-E1151 PolarHBondContact O-N 3.37Å; E1151-A1155 WeakPolarHBondContact O-CA 2.96Å; E1151-A1155 WeakPolarHBondContact O-CB 2.89Å; E1151-A1155 PolarHBondContact O-N 2.91Å |
| 1152 | E | 71.7 | Confident | 68 | Low | 115 Ų | 115 | 106.2 Ų | 106.2 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66 | -40 | 167.2 | -80.8 | -163.8 | 150.9 | 0 | 0 | 111.6 | D1148 M1156 | D1148-E1152 VanDerWaalsContact O-CB 3.28Å; D1148-E1152 WeakPolarHBondContact O-CB 3.41Å; D1148-E1152 WeakPolarHBondContact O-CG 3.13Å; D1148-E1152 PolarHBondContact O-N 2.92Å; E1152-M1156 HydrophobicContact CB-CE 4.16Å; E1152-M1156 WeakPolarHBondContact O-CB 3.28Å; E1152-M1156 VanDerWaalsContact O-CG 3.3Å; E1152-M1156 WeakPolarHBondContact O-CG 3.05Å; E1152-M1156 PolarHBondContact O-N 2.85Å |
| 1153 | V | 68.9 | Low | 67.3 | Low | 73 Ų | 73 | 106.7 Ų | 106.7 | 44% | 0.442 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73.1 | -31.7 | 176.8 | 164.8 | 0 | 0 | 0 | 0 | 112.4 | L1149 T1150 R1157 | L1149-V1153 WeakPolarHBondContact O-CB 3.13Å; L1149-V1153 WeakPolarHBondContact O-CG2 3.4Å; L1149-V1153 PolarHBondContact O-N 3.39Å; T1150-V1153 CarbonylContact O-C 3.28Å; T1150-V1153 PolarHBondContact O-N 3Å; V1153-R1157 WeakPolarHBondContact O-CB 3.48Å; V1153-R1157 VanDerWaalsContact O-CG 3.22Å; V1153-R1157 WeakPolarHBondContact O-CG 3.42Å; V1153-R1157 PolarHBondContact O-N 2.86Å |
| 1154 | E | 70.5 | Confident | 66 | Low | 114 Ų | 114 | 106.4 Ų | 106.4 | 53% | 0.533 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -78 | -37.2 | 172.7 | -71.5 | -149.3 | 146.7 | 0 | 0 | 112 | T1150 R1157 L1158 | T1150-E1154 HydrophobicContact CG2-CG 4.42Å; T1150-E1154 WeakPolarHBondContact O-CB 3.43Å; T1150-E1154 WeakPolarHBondContact O-CG 3.07Å; T1150-E1154 PolarHBondContact O-N 2.83Å; E1154-R1157 WeakPolarHBondContact O-CB 3.44Å; E1154-R1157 PolarHBondContact O-N 3.09Å; E1154-L1158 WeakPolarHBondContact O-CB 3.45Å; E1154-L1158 WeakPolarHBondContact O-CG 3.42Å; E1154-L1158 PolarHBondContact O-N 2.75Å |
| 1155 | A | 72.2 | Confident | 64.8 | Low | 50 Ų | 50 | 106 Ų | 106 | 41% | 0.413 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.5 | -47.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E1151 R1157 L1158 E1159 | E1151-A1155 WeakPolarHBondContact O-CA 2.96Å; E1151-A1155 WeakPolarHBondContact O-CB 2.89Å; E1151-A1155 PolarHBondContact O-N 2.91Å; A1155-R1157 VanDerWaalsContact C-N 3.28Å; A1155-R1157 PolarHBondContact O-N 3.11Å; A1155-L1158 WeakPolarHBondContact O-CB 3.5Å; A1155-L1158 PolarHBondContact O-N 2.83Å; A1155-L1158 VanDerWaalsContact O-N 3.14Å; A1155-E1159 PolarHBondContact O-N 2.93Å |
| 1156 | M | 62.7 | Low | 63.9 | Low | 104 Ų | 104 | 111.4 Ų | 111.4 | 51% | 0.512 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.6 | -30.6 | 172.4 | -76.8 | -169.5 | -84.2 | 0 | 0 | 112 | E1152 L1160 | E1152-M1156 HydrophobicContact CB-CE 4.16Å; E1152-M1156 WeakPolarHBondContact O-CB 3.28Å; E1152-M1156 VanDerWaalsContact O-CG 3.3Å; E1152-M1156 WeakPolarHBondContact O-CG 3.05Å; E1152-M1156 PolarHBondContact O-N 2.85Å; M1156-L1160 WeakPolarHBondContact O-CB 3.24Å; M1156-L1160 PolarHBondContact O-N 3.21Å |
| 1157 | R | 67.5 | Low | 62.9 | Low | 159 Ų | 159 | 109 Ų | 109 | 60% | 0.6 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.4 | -41.7 | 169.6 | -89.5 | 174.7 | 158.4 | -173.6 | -4.9 | 112.2 | V1153 E1154 A1155 L1160 I1161 | V1153-R1157 WeakPolarHBondContact O-CB 3.48Å; V1153-R1157 VanDerWaalsContact O-CG 3.22Å; V1153-R1157 WeakPolarHBondContact O-CG 3.42Å; V1153-R1157 PolarHBondContact O-N 2.86Å; E1154-R1157 WeakPolarHBondContact O-CB 3.44Å; E1154-R1157 PolarHBondContact O-N 3.09Å; A1155-R1157 VanDerWaalsContact C-N 3.28Å; A1155-R1157 PolarHBondContact O-N 3.11Å; R1157-L1160 PolarHBondContact O-N 3.43Å; R1157-I1161 WeakPolarHBondContact O-CB 3.18Å; R1157-I1161 WeakPolarHBondContact O-CD1 3.41Å; R1157-I1161 WeakPolarHBondContact O-CG1 3.28Å; R1157-I1161 PolarHBondContact O-N 3.47Å |
| 1158 | L | 63.5 | Low | 62.4 | Low | 112 Ų | 112 | 108.7 Ų | 108.7 | 59% | 0.586 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.8 | -46.9 | 175 | -83.9 | 156.1 | 0 | 0 | 0 | 110.7 | E1154 A1155 L1160 I1161 D1162 | E1154-L1158 WeakPolarHBondContact O-CB 3.45Å; E1154-L1158 WeakPolarHBondContact O-CG 3.42Å; E1154-L1158 PolarHBondContact O-N 2.75Å; A1155-L1158 WeakPolarHBondContact O-CB 3.5Å; A1155-L1158 PolarHBondContact O-N 2.83Å; A1155-L1158 VanDerWaalsContact O-N 3.14Å; L1158-L1160 PolarHBondContact O-N 3.24Å; L1158-I1161 PolarHBondContact O-N 3.01Å; L1158-D1162 PolarHBondContact O-N 3.47Å |
| 1159 | E | 67.7 | Low | 61.8 | Low | 143 Ų | 143 | 107.2 Ų | 107.2 | 67% | 0.668 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.4 | -36.9 | 173.5 | -69.9 | -165.9 | 152.3 | 0 | 0 | 112.6 | A1155 S1163 | A1155-E1159 PolarHBondContact O-N 2.93Å; E1159-S1163 WeakPolarHBondContact O-CB 3.25Å; E1159-S1163 PolarHBondContact O-N 3.35Å; E1159-S1163 PolarHBondContact O-OG 3.01Å |
| 1160 | L | 54.7 | Low | 61.2 | Low | 101 Ų | 101 | 105.8 Ų | 105.8 | 53% | 0.529 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.8 | -30.5 | 176.3 | -165.2 | 75.2 | 0 | 0 | 0 | 112.5 | M1156 R1157 L1158 | M1156-L1160 WeakPolarHBondContact O-CB 3.24Å; M1156-L1160 PolarHBondContact O-N 3.21Å; R1157-L1160 PolarHBondContact O-N 3.43Å; L1158-L1160 PolarHBondContact O-N 3.24Å |
| 1161 | I | 64.7 | Low | 60.8 | Low | 130 Ų | 130 | 106 Ų | 106 | 67% | 0.667 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.8 | -44 | 174.3 | -73.2 | 164.8 | 0 | 0 | 0 | 110.4 | R1157 L1158 S1163 | R1157-I1161 WeakPolarHBondContact O-CB 3.18Å; R1157-I1161 WeakPolarHBondContact O-CD1 3.41Å; R1157-I1161 WeakPolarHBondContact O-CG1 3.28Å; R1157-I1161 PolarHBondContact O-N 3.47Å; L1158-I1161 PolarHBondContact O-N 3.01Å; I1161-S1163 PolarHBondContact O-N 2.9Å |
| 1162 | D | 56.7 | Low | 60.7 | Low | 147 Ų | 147 | 106.8 Ų | 106.8 | 79% | 0.786 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -76.3 | -17 | 179.8 | -85.7 | -2.3 | 0 | 0 | 0 | 113.9 | L1158 | L1158-D1162 PolarHBondContact O-N 3.47Å |
| 1163 | S | 57 | Low | 60.4 | Low | 62 Ų | 62 | 103.4 Ų | 103.4 | 43% | 0.434 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.8 | 11 | -179.8 | 62.5 | 0 | 0 | 0 | 0 | 115.4 | E1159 I1161 T1165 | E1159-S1163 WeakPolarHBondContact O-CB 3.25Å; E1159-S1163 PolarHBondContact O-N 3.35Å; E1159-S1163 PolarHBondContact O-OG 3.01Å; I1161-S1163 PolarHBondContact O-N 2.9Å; S1163-T1165 PolarHBondContact O-N 3.31Å |
| 1164 | G | 40.8 | Very low | 60 | Low | 59 Ų | 59 | 103.9 Ų | 103.9 | 61% | 0.608 | 57% | 0.571 | S | S | * | * | trans | -69.8 | 68.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1165 | T | 46.8 | Very low | 60 | Low | 112 Ų | 112 | 107.2 Ų | 107.2 | 69% | 0.687 | 58% | 0.579 | S | S | * | * | trans | -142.5 | 122 | 163.9 | 50.8 | 0 | 0 | 0 | 0 | 115 | S1163 | S1163-T1165 PolarHBondContact O-N 3.31Š| ||
| 1166 | N | 49.4 | Very low | 60.1 | Low | 159 Ų | 159 | 111.7 Ų | 111.7 | 85% | 0.85 | 59% | 0.589 | S | S | * | * | trans | 49.7 | 96.7 | 153.2 | -59.8 | -23.1 | 0 | 0 | 0 | 120.5 | ||||
| 1167 | S | 51.3 | Low | 60.2 | Low | 72 Ų | 72 | 114.6 Ų | 114.6 | 50% | 0.503 | 60% | 0.595 | S | S | . | * | trans | -165.7 | 142.2 | 135.8 | -172.3 | 0 | 0 | 0 | 0 | 112.9 | A1169 Q1170 | S1167-A1169 PolarHBondContact O-N 2.79Å; S1167-A1169 WeakPolarHBondContact OG-CB 3.24Å; S1167-A1169 PolarHBondContact OG-N 2.9Å; S1167-Q1170 WeakPolarHBondContact O-CA 3.34Å; S1167-Q1170 VanDerWaalsContact O-CB 3.23Å; S1167-Q1170 WeakPolarHBondContact O-CB 3.43Å; S1167-Q1170 PolarHBondContact O-N 2.82Å | ||
| 1168 | E | 60.5 | Low | 60.5 | Low | 168 Ų | 168 | 112.8 Ų | 112.8 | 79% | 0.785 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.4 | -25.6 | 169.7 | -69.2 | -172.4 | 119.8 | 0 | 0 | 112.8 | Q1170 T1171 Q1172 | E1168-Q1170 PolarHBondContact O-N 2.85Å; E1168-T1171 VanDerWaalsContact CA-OG1 3.31Å; E1168-T1171 WeakPolarHBondContact CA-OG1 3.32Å; E1168-T1171 PolarHBondContact O-N 3.33Å; E1168-T1171 VanDerWaalsContact O-N 3.12Å; E1168-T1171 PolarHBondContact O-OG1 2.92Å; E1168-Q1172 PolarHBondContact O-N 3.11Å |
| 1169 | A | 59.2 | Low | 61.1 | Low | 65 Ų | 65 | 110.1 Ų | 110.1 | 54% | 0.537 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.5 | -31.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1167 Q1172 A1173 | S1167-A1169 PolarHBondContact O-N 2.79Å; S1167-A1169 WeakPolarHBondContact OG-CB 3.24Å; S1167-A1169 PolarHBondContact OG-N 2.9Å; A1169-Q1172 PolarHBondContact O-N 3.03Å; A1169-A1173 VanDerWaalsContact O-CB 3.28Å; A1169-A1173 WeakPolarHBondContact O-CB 3.49Å; A1169-A1173 PolarHBondContact O-N 3.1Å |
| 1170 | Q | 56.3 | Low | 61.5 | Low | 74 Ų | 74 | 106.7 Ų | 106.7 | 35% | 0.346 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.9 | -32.8 | 175.6 | -147.3 | 175.6 | 20.2 | 0 | 0 | 111.1 | S1167 E1168 L1174 | S1167-Q1170 WeakPolarHBondContact O-CA 3.34Å; S1167-Q1170 VanDerWaalsContact O-CB 3.23Å; S1167-Q1170 WeakPolarHBondContact O-CB 3.43Å; S1167-Q1170 PolarHBondContact O-N 2.82Å; E1168-Q1170 PolarHBondContact O-N 2.85Å; Q1170-L1174 VanDerWaalsContact O-CB 3.25Å; Q1170-L1174 WeakPolarHBondContact O-CB 3.47Å; Q1170-L1174 VanDerWaalsContact O-CG 3.24Å; Q1170-L1174 WeakPolarHBondContact O-CG 3.25Å; Q1170-L1174 PolarHBondContact O-N 2.82Å |
| 1171 | T | 63.8 | Low | 62.1 | Low | 75 Ų | 75 | 106.4 Ų | 106.4 | 46% | 0.46 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -73.3 | -30.2 | 169.8 | 24.9 | 0 | 0 | 0 | 0 | 114.2 | E1168 R1175 | E1168-T1171 VanDerWaalsContact CA-OG1 3.31Å; E1168-T1171 WeakPolarHBondContact CA-OG1 3.32Å; E1168-T1171 PolarHBondContact O-N 3.33Å; E1168-T1171 VanDerWaalsContact O-N 3.12Å; E1168-T1171 PolarHBondContact O-OG1 2.92Å; T1171-R1175 WeakPolarHBondContact O-CB 3.41Å; T1171-R1175 WeakPolarHBondContact O-CG 3.41Å; T1171-R1175 PolarHBondContact O-N 2.66Å |
| 1172 | Q | 69.9 | Low | 62.6 | Low | 149 Ų | 149 | 103.5 Ų | 103.5 | 70% | 0.696 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.1 | -39.5 | 169.3 | -74.2 | -164.2 | 4.2 | 0 | 0 | 111.8 | E1168 A1169 R1175 K1176 | E1168-Q1172 PolarHBondContact O-N 3.11Å; A1169-Q1172 PolarHBondContact O-N 3.03Å; Q1172-R1175 PolarHBondContact O-N 2.81Å; Q1172-K1176 PolarHBondContact O-N 2.71Å |
| 1173 | A | 63.9 | Low | 63.5 | Low | 44 Ų | 44 | 100.3 Ų | 100.3 | 36% | 0.364 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | A1169 K1176 Y1177 | A1169-A1173 VanDerWaalsContact O-CB 3.28Å; A1169-A1173 WeakPolarHBondContact O-CB 3.49Å; A1169-A1173 PolarHBondContact O-N 3.1Å; A1173-K1176 CarbonylContact O-C 3.18Å; A1173-K1176 PolarHBondContact O-N 3.33Å; A1173-K1176 VanDerWaalsContact O-N 3.14Å; A1173-Y1177 WeakPolarHBondContact O-CB 3.36Å; A1173-Y1177 WeakPolarHBondContact O-CD2 3.1Å; A1173-Y1177 PolarHBondContact O-N 3.37Å |
| 1174 | L | 60 | Low | 64.1 | Low | 82 Ų | 82 | 102.7 Ų | 102.7 | 43% | 0.429 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.7 | -47.5 | 172.3 | -81.5 | 165 | 0 | 0 | 0 | 111.3 | Q1170 K1176 Y1177 E1178 | Q1170-L1174 VanDerWaalsContact O-CB 3.25Å; Q1170-L1174 WeakPolarHBondContact O-CB 3.47Å; Q1170-L1174 VanDerWaalsContact O-CG 3.24Å; Q1170-L1174 WeakPolarHBondContact O-CG 3.25Å; Q1170-L1174 PolarHBondContact O-N 2.82Å; L1174-K1176 PolarHBondContact O-N 2.53Å; L1174-Y1177 CarbonylContact O-C 3.54Å; L1174-Y1177 PolarHBondContact O-N 2.74Å; L1174-E1178 VanDerWaalsContact O-CB 3.29Å; L1174-E1178 WeakPolarHBondContact O-CB 3.49Å; L1174-E1178 VanDerWaalsContact O-CG 3.25Å; L1174-E1178 WeakPolarHBondContact O-CG 3.27Å; L1174-E1178 PolarHBondContact O-N 2.74Å |
| 1175 | R | 71.9 | Confident | 65.6 | Low | 185 Ų | 185 | 108.1 Ų | 108.1 | 70% | 0.698 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.5 | -30.5 | 175.3 | -78.8 | 178.8 | -178.4 | 169.7 | 3.7 | 113.6 | T1171 Q1172 S1179 | T1171-R1175 WeakPolarHBondContact O-CB 3.41Å; T1171-R1175 WeakPolarHBondContact O-CG 3.41Å; T1171-R1175 PolarHBondContact O-N 2.66Å; Q1172-R1175 PolarHBondContact O-N 2.81Å; R1175-S1179 VanDerWaalsContact O-CB 3.28Å; R1175-S1179 WeakPolarHBondContact O-CB 3.14Å; R1175-S1179 PolarHBondContact O-N 2.72Å |
| 1176 | K | 74.3 | Confident | 67 | Low | 143 Ų | 143 | 108.8 Ų | 108.8 | 62% | 0.622 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -76 | -42.9 | 175 | -143.4 | -176.3 | -177.4 | -165.1 | 0 | 111.3 | Q1172 A1173 L1174 E1178 S1179 D1180 | Q1172-K1176 PolarHBondContact O-N 2.71Å; A1173-K1176 CarbonylContact O-C 3.18Å; A1173-K1176 PolarHBondContact O-N 3.33Å; A1173-K1176 VanDerWaalsContact O-N 3.14Å; L1174-K1176 PolarHBondContact O-N 2.53Å; K1176-E1178 VanDerWaalsContact C-N 3.3Å; K1176-E1178 PolarHBondContact O-N 2.87Å; K1176-S1179 CarbonylContact O-C 2.93Å; K1176-S1179 WeakPolarHBondContact O-CB 3.05Å; K1176-S1179 PolarHBondContact O-N 3.28Å; K1176-D1180 VanDerWaalsContact O-CB 3.32Å; K1176-D1180 WeakPolarHBondContact O-CB 3.41Å; K1176-D1180 VanDerWaalsContact O-CG 3.22Å; K1176-D1180 PolarHBondContact O-N 3.5Å |
| 1177 | Y | 63.9 | Low | 68.2 | Low | 165 Ų | 165 | 107.4 Ų | 107.4 | 65% | 0.647 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.7 | -28.1 | 170.2 | -88 | -69.9 | 0 | 0 | 0 | 113.1 | A1173 L1174 L1181 | A1173-Y1177 WeakPolarHBondContact O-CB 3.36Å; A1173-Y1177 WeakPolarHBondContact O-CD2 3.1Å; A1173-Y1177 PolarHBondContact O-N 3.37Å; L1174-Y1177 CarbonylContact O-C 3.54Å; L1174-Y1177 PolarHBondContact O-N 2.74Å; Y1177-L1181 WeakPolarHBondContact O-CA 2.95Å; Y1177-L1181 WeakPolarHBondContact O-CB 3.37Å; Y1177-L1181 WeakPolarHBondContact O-CD1 3.37Å; Y1177-L1181 WeakPolarHBondContact O-CG 3.45Å; Y1177-L1181 PolarHBondContact O-N 3.26Å |
| 1178 | E | 73.6 | Confident | 68.9 | Low | 122 Ų | 122 | 109.7 Ų | 109.7 | 57% | 0.57 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.1 | -39.5 | 171.4 | -77 | 175 | 146.3 | 0 | 0 | 110.4 | L1174 K1176 S1182 | L1174-E1178 VanDerWaalsContact O-CB 3.29Å; L1174-E1178 WeakPolarHBondContact O-CB 3.49Å; L1174-E1178 VanDerWaalsContact O-CG 3.25Å; L1174-E1178 WeakPolarHBondContact O-CG 3.27Å; L1174-E1178 PolarHBondContact O-N 2.74Å; K1176-E1178 VanDerWaalsContact C-N 3.3Å; K1176-E1178 PolarHBondContact O-N 2.87Å; E1178-S1182 WeakPolarHBondContact O-CA 3.2Å; E1178-S1182 WeakPolarHBondContact O-CB 3.29Å; E1178-S1182 PolarHBondContact O-N 3.43Å |
| 1179 | S | 77.8 | Confident | 69.6 | Low | 56 Ų | 56 | 107.2 Ų | 107.2 | 39% | 0.392 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 170.2 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | R1175 K1176 S1182 N1183 | R1175-S1179 VanDerWaalsContact O-CB 3.28Å; R1175-S1179 WeakPolarHBondContact O-CB 3.14Å; R1175-S1179 PolarHBondContact O-N 2.72Å; K1176-S1179 CarbonylContact O-C 2.93Å; K1176-S1179 WeakPolarHBondContact O-CB 3.05Å; K1176-S1179 PolarHBondContact O-N 3.28Å; S1179-S1182 CarbonylContact O-C 3.55Å; S1179-S1182 WeakPolarHBondContact O-CB 2.99Å; S1179-S1182 PolarHBondContact O-N 3.07Å; S1179-N1183 WeakPolarHBondContact O-CB 3.21Å; S1179-N1183 PolarHBondContact O-N 2.99Å; S1179-N1183 PolarHBondContact O-ND2 2.99Å; S1179-N1183 VanDerWaalsContact O-ND2 3.11Å |
| 1180 | D | 75.3 | Confident | 70.4 | Confident | 70 Ų | 70 | 106.3 Ų | 106.3 | 37% | 0.374 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -82.7 | -31.1 | -176.2 | -64.6 | -24.8 | 0 | 0 | 0 | 111.6 | K1176 S1182 N1183 L1184 | K1176-D1180 VanDerWaalsContact O-CB 3.32Å; K1176-D1180 WeakPolarHBondContact O-CB 3.41Å; K1176-D1180 VanDerWaalsContact O-CG 3.22Å; K1176-D1180 PolarHBondContact O-N 3.5Å; D1180-S1182 VanDerWaalsContact C-N 3.34Å; D1180-N1183 PolarHBondContact O-N 2.97Å; D1180-L1184 WeakPolarHBondContact O-CB 3.26Å; D1180-L1184 WeakPolarHBondContact O-CD1 3.48Å; D1180-L1184 PolarHBondContact O-N 3.25Å |
| 1181 | L | 67.6 | Low | 71.3 | Confident | 96 Ų | 96 | 109 Ų | 109 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.8 | -31.8 | 162.1 | -80.9 | 165.3 | 0 | 0 | 0 | 111.8 | Y1177 R1185 | Y1177-L1181 WeakPolarHBondContact O-CA 2.95Å; Y1177-L1181 WeakPolarHBondContact O-CB 3.37Å; Y1177-L1181 WeakPolarHBondContact O-CD1 3.37Å; Y1177-L1181 WeakPolarHBondContact O-CG 3.45Å; Y1177-L1181 PolarHBondContact O-N 3.26Å; L1181-R1185 WeakPolarHBondContact O-CA 3.39Å; L1181-R1185 WeakPolarHBondContact O-CB 3.18Å; L1181-R1185 WeakPolarHBondContact O-CG 3.38Å; L1181-R1185 PolarHBondContact O-N 3.1Å |
| 1182 | S | 74.8 | Confident | 71.7 | Confident | 68 Ų | 68 | 108.5 Ų | 108.5 | 48% | 0.476 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.3 | -38.5 | 172.9 | -173.1 | 0 | 0 | 0 | 0 | 110.3 | E1178 S1179 D1180 H1186 | E1178-S1182 WeakPolarHBondContact O-CA 3.2Å; E1178-S1182 WeakPolarHBondContact O-CB 3.29Å; E1178-S1182 PolarHBondContact O-N 3.43Å; S1179-S1182 CarbonylContact O-C 3.55Å; S1179-S1182 WeakPolarHBondContact O-CB 2.99Å; S1179-S1182 PolarHBondContact O-N 3.07Å; D1180-S1182 VanDerWaalsContact C-N 3.34Å; S1182-H1186 WeakPolarHBondContact O-CB 3.37Å; S1182-H1186 PolarHBondContact O-N 3.08Å |
| 1183 | N | 75.2 | Confident | 72 | Confident | 81 Ų | 81 | 106 Ų | 106 | 43% | 0.433 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.2 | -42.9 | 175.9 | -71.4 | -34 | 0 | 0 | 0 | 111.3 | S1179 D1180 H1186 Q1187 | S1179-N1183 WeakPolarHBondContact O-CB 3.21Å; S1179-N1183 PolarHBondContact O-N 2.99Å; S1179-N1183 PolarHBondContact O-ND2 2.99Å; S1179-N1183 VanDerWaalsContact O-ND2 3.11Å; D1180-N1183 PolarHBondContact O-N 2.97Å; N1183-H1186 PolarHBondContact O-N 2.68Å; N1183-Q1187 WeakPolarHBondContact O-CB 3.39Å; N1183-Q1187 WeakPolarHBondContact O-CG 3.3Å; N1183-Q1187 PolarHBondContact O-N 2.93Å |
| 1184 | L | 69.8 | Low | 72.5 | Confident | 111 Ų | 111 | 108.1 Ų | 108.1 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.1 | -42.3 | 171.4 | -94.8 | 82 | 0 | 0 | 0 | 111.1 | D1180 H1186 Q1187 L1188 | D1180-L1184 WeakPolarHBondContact O-CB 3.26Å; D1180-L1184 WeakPolarHBondContact O-CD1 3.48Å; D1180-L1184 PolarHBondContact O-N 3.25Å; L1184-H1186 VanDerWaalsContact C-N 3.33Å; L1184-H1186 PolarHBondContact O-N 2.68Å; L1184-Q1187 PolarHBondContact O-N 3.05Å; L1184-L1188 WeakPolarHBondContact O-CB 3.35Å; L1184-L1188 PolarHBondContact O-N 3.48Å |
| 1185 | R | 72.5 | Confident | 73.1 | Confident | 174 Ų | 174 | 110 Ų | 110 | 66% | 0.657 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.2 | -39.8 | 172.2 | -81.2 | 174.1 | 175.1 | 174.4 | -0.7 | 111.6 | L1181 L1188 E1189 | L1181-R1185 WeakPolarHBondContact O-CA 3.39Å; L1181-R1185 WeakPolarHBondContact O-CB 3.18Å; L1181-R1185 WeakPolarHBondContact O-CG 3.38Å; L1181-R1185 PolarHBondContact O-N 3.1Å; R1185-L1188 CarbonylContact O-C 3.08Å; R1185-L1188 PolarHBondContact O-N 3.15Å; R1185-E1189 WeakPolarHBondContact O-CA 3.22Å; R1185-E1189 WeakPolarHBondContact O-CB 3.42Å; R1185-E1189 VanDerWaalsContact O-CG 3.3Å; R1185-E1189 WeakPolarHBondContact O-CG 3.5Å; R1185-E1189 PolarHBondContact O-N 3.23Å |
| 1186 | H | 75.8 | Confident | 73.2 | Confident | 125 Ų | 125 | 105.4 Ų | 105.4 | 58% | 0.579 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -75.1 | -28 | -179.8 | -155.4 | -5.1 | 0 | 0 | 0 | 111.8 | S1182 N1183 L1184 A1190 | S1182-H1186 WeakPolarHBondContact O-CB 3.37Å; S1182-H1186 PolarHBondContact O-N 3.08Å; N1183-H1186 PolarHBondContact O-N 2.68Å; L1184-H1186 VanDerWaalsContact C-N 3.33Å; L1184-H1186 PolarHBondContact O-N 2.68Å; H1186-A1190 WeakPolarHBondContact O-CA 3.46Å; H1186-A1190 WeakPolarHBondContact O-CB 3.23Å; H1186-A1190 PolarHBondContact O-N 3.03Å |
| 1187 | Q | 74.3 | Confident | 73.3 | Confident | 130 Ų | 130 | 101 Ų | 101 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -75.2 | -35 | 168.9 | -76.4 | -178.3 | 1 | 0 | 0 | 112.6 | N1183 L1184 A1190 Q1191 | N1183-Q1187 WeakPolarHBondContact O-CB 3.39Å; N1183-Q1187 WeakPolarHBondContact O-CG 3.3Å; N1183-Q1187 PolarHBondContact O-N 2.93Å; L1184-Q1187 PolarHBondContact O-N 3.05Å; Q1187-A1190 PolarHBondContact O-N 3.11Å; Q1187-Q1191 WeakPolarHBondContact O-CB 3.27Å; Q1187-Q1191 WeakPolarHBondContact O-CG 3.34Å; Q1187-Q1191 PolarHBondContact O-N 3.35Å |
| 1188 | L | 67.1 | Low | 73.8 | Confident | 121 Ų | 121 | 96.4 Ų | 96.4 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -80.8 | -28.6 | 178 | -162.6 | 134.9 | 0 | 0 | 0 | 111.1 | L1184 R1185 S1192 | L1184-L1188 WeakPolarHBondContact O-CB 3.35Å; L1184-L1188 PolarHBondContact O-N 3.48Å; R1185-L1188 CarbonylContact O-C 3.08Å; R1185-L1188 PolarHBondContact O-N 3.15Å; L1188-S1192 WeakPolarHBondContact O-CA 3.44Å; L1188-S1192 WeakPolarHBondContact O-CB 3.43Å; L1188-S1192 PolarHBondContact O-N 2.78Å |
| 1189 | E | 75.2 | Confident | 73.8 | Confident | 115 Ų | 115 | 94.4 Ų | 94.4 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.2 | -33.2 | 161.6 | -77.7 | -176.8 | 157.3 | 0 | 0 | 111 | R1185 N1193 | R1185-E1189 WeakPolarHBondContact O-CA 3.22Å; R1185-E1189 WeakPolarHBondContact O-CB 3.42Å; R1185-E1189 VanDerWaalsContact O-CG 3.3Å; R1185-E1189 WeakPolarHBondContact O-CG 3.5Å; R1185-E1189 PolarHBondContact O-N 3.23Å; E1189-N1193 WeakPolarHBondContact O-CA 3.34Å; E1189-N1193 WeakPolarHBondContact O-CB 3.46Å; E1189-N1193 PolarHBondContact O-N 3.32Å; E1189-N1193 PolarHBondContact O-ND2 3.34Å |
| 1190 | A | 75.8 | Confident | 73.6 | Confident | 47 Ų | 47 | 97 Ų | 97 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.1 | -43.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | H1186 Q1187 N1193 T1194 | H1186-A1190 WeakPolarHBondContact O-CA 3.46Å; H1186-A1190 WeakPolarHBondContact O-CB 3.23Å; H1186-A1190 PolarHBondContact O-N 3.03Å; Q1187-A1190 PolarHBondContact O-N 3.11Å; A1190-N1193 CarbonylContact O-C 3.47Å; A1190-N1193 PolarHBondContact O-N 3.33Å; A1190-T1194 WeakPolarHBondContact O-CG2 3.27Å; A1190-T1194 PolarHBondContact O-N 2.64Å; A1190-T1194 PolarHBondContact O-OG1 2.88Å |
| 1191 | Q | 74.6 | Confident | 73.5 | Confident | 129 Ų | 129 | 100.3 Ų | 100.3 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.7 | -36.9 | 172.6 | -77.2 | -170.3 | -31.8 | 0 | 0 | 112.1 | Q1187 N1193 T1194 H1195 | Q1187-Q1191 WeakPolarHBondContact O-CB 3.27Å; Q1187-Q1191 WeakPolarHBondContact O-CG 3.34Å; Q1187-Q1191 PolarHBondContact O-N 3.35Å; Q1191-N1193 VanDerWaalsContact C-N 3.34Å; Q1191-T1194 WeakPolarHBondContact CA-OG1 3.27Å; Q1191-T1194 PolarHBondContact O-N 2.82Å; Q1191-T1194 PolarHBondContact O-OG1 3.37Å; Q1191-H1195 VanDerWaalsContact O-CB 3.24Å; Q1191-H1195 WeakPolarHBondContact O-CB 3.39Å; Q1191-H1195 PolarHBondContact O-N 3.17Å |
| 1192 | S | 73.3 | Confident | 73.6 | Confident | 65 Ų | 65 | 101 Ų | 101 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.8 | -30.8 | 172 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | L1188 E1196 | L1188-S1192 WeakPolarHBondContact O-CA 3.44Å; L1188-S1192 WeakPolarHBondContact O-CB 3.43Å; L1188-S1192 PolarHBondContact O-N 2.78Å; S1192-E1196 WeakPolarHBondContact O-CA 3.11Å; S1192-E1196 WeakPolarHBondContact O-CB 2.94Å; S1192-E1196 PolarHBondContact O-N 3.33Å |
| 1193 | N | 75.6 | Confident | 73.5 | Confident | 98 Ų | 98 | 105.4 Ų | 105.4 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -79.6 | -28.1 | 173.4 | -79.4 | -56 | 0 | 0 | 0 | 112.1 | E1189 A1190 Q1191 A1197 | E1189-N1193 WeakPolarHBondContact O-CA 3.34Å; E1189-N1193 WeakPolarHBondContact O-CB 3.46Å; E1189-N1193 PolarHBondContact O-N 3.32Å; E1189-N1193 PolarHBondContact O-ND2 3.34Å; A1190-N1193 CarbonylContact O-C 3.47Å; A1190-N1193 PolarHBondContact O-N 3.33Å; Q1191-N1193 VanDerWaalsContact C-N 3.34Å; N1193-A1197 WeakPolarHBondContact O-CA 3.24Å; N1193-A1197 WeakPolarHBondContact O-CB 3.34Å; N1193-A1197 PolarHBondContact O-N 3.28Å |
| 1194 | T | 74.5 | Confident | 73.5 | Confident | 87 Ų | 87 | 109.1 Ų | 109.1 | 53% | 0.534 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -79.7 | -31.5 | 169.8 | 55.7 | 0 | 0 | 0 | 0 | 111.9 | A1190 Q1191 T1198 | A1190-T1194 WeakPolarHBondContact O-CG2 3.27Å; A1190-T1194 PolarHBondContact O-N 2.64Å; A1190-T1194 PolarHBondContact O-OG1 2.88Å; Q1191-T1194 WeakPolarHBondContact CA-OG1 3.27Å; Q1191-T1194 PolarHBondContact O-N 2.82Å; Q1191-T1194 PolarHBondContact O-OG1 3.37Å; T1194-T1198 WeakPolarHBondContact O-CB 3.36Å; T1194-T1198 WeakPolarHBondContact O-CG2 3.48Å; T1194-T1198 PolarHBondContact O-N 3.39Å; T1194-T1198 PolarHBondContact O-OG1 3.5Å |
| 1195 | H | 71.8 | Confident | 73.7 | Confident | 122 Ų | 122 | 107.1 Ų | 107.1 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71.1 | -39.2 | 167 | -85.7 | -48.4 | 0 | 0 | 0 | 111.9 | Q1191 T1198 I1199 | Q1191-H1195 VanDerWaalsContact O-CB 3.24Å; Q1191-H1195 WeakPolarHBondContact O-CB 3.39Å; Q1191-H1195 PolarHBondContact O-N 3.17Å; H1195-T1198 WeakPolarHBondContact CA-OG1 3.36Å; H1195-T1198 PolarHBondContact O-N 2.99Å; H1195-T1198 PolarHBondContact O-OG1 2.91Å; H1195-I1199 WeakPolarHBondContact O-CA 3.35Å; H1195-I1199 WeakPolarHBondContact O-CB 3.33Å; H1195-I1199 WeakPolarHBondContact O-CD1 2.9Å; H1195-I1199 WeakPolarHBondContact O-CG1 3.21Å; H1195-I1199 PolarHBondContact O-N 2.52Å |
| 1196 | E | 74.9 | Confident | 73.7 | Confident | 88 Ų | 88 | 103.5 Ų | 103.5 | 41% | 0.411 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -75.8 | -28.3 | 175.2 | -171.1 | 162 | -135 | 0 | 0 | 111.3 | S1192 I1199 Q1200 | S1192-E1196 WeakPolarHBondContact O-CA 3.11Å; S1192-E1196 WeakPolarHBondContact O-CB 2.94Å; S1192-E1196 PolarHBondContact O-N 3.33Å; E1196-I1199 CarbonylContact O-C 3.34Å; E1196-Q1200 HydrophobicContact CG-CG 4.45Å; E1196-Q1200 WeakPolarHBondContact O-CA 2.9Å; E1196-Q1200 WeakPolarHBondContact O-CB 2.97Å; E1196-Q1200 WeakPolarHBondContact O-CG 3.35Å; E1196-Q1200 PolarHBondContact O-N 3.05Å |
| 1197 | A | 76 | Confident | 73.6 | Confident | 51 Ų | 51 | 99.9 Ų | 99.9 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.9 | -45.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1193 I1199 Q1200 E1201 | N1193-A1197 WeakPolarHBondContact O-CA 3.24Å; N1193-A1197 WeakPolarHBondContact O-CB 3.34Å; N1193-A1197 PolarHBondContact O-N 3.28Å; A1197-I1199 VanDerWaalsContact C-N 3.31Å; A1197-I1199 PolarHBondContact O-N 3.45Å; A1197-Q1200 CarbonylContact O-C 3.51Å; A1197-Q1200 PolarHBondContact O-N 3.39Å; A1197-Q1200 VanDerWaalsContact O-N 3.14Å; A1197-E1201 WeakPolarHBondContact O-CB 3.09Å; A1197-E1201 PolarHBondContact O-N 2.89Å |
| 1198 | T | 74.1 | Confident | 73.7 | Confident | 69 Ų | 69 | 96 Ų | 96 | 42% | 0.423 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.2 | -26.6 | 174.2 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | T1194 H1195 M1202 | T1194-T1198 WeakPolarHBondContact O-CB 3.36Å; T1194-T1198 WeakPolarHBondContact O-CG2 3.48Å; T1194-T1198 PolarHBondContact O-N 3.39Å; T1194-T1198 PolarHBondContact O-OG1 3.5Å; H1195-T1198 WeakPolarHBondContact CA-OG1 3.36Å; H1195-T1198 PolarHBondContact O-N 2.99Å; H1195-T1198 PolarHBondContact O-OG1 2.91Å; T1198-M1202 WeakPolarHBondContact O-CA 3.16Å; T1198-M1202 WeakPolarHBondContact O-CB 3.4Å; T1198-M1202 WeakPolarHBondContact O-CG 3.31Å; T1198-M1202 PolarHBondContact O-N 2.55Å |
| 1199 | I | 73.1 | Confident | 74 | Confident | 80 Ų | 80 | 93.1 Ų | 93.1 | 41% | 0.41 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -76.3 | -29.9 | 168.2 | -71.7 | 163.9 | 0 | 0 | 0 | 110.9 | H1195 E1196 A1197 R1203 | H1195-I1199 WeakPolarHBondContact O-CA 3.35Å; H1195-I1199 WeakPolarHBondContact O-CB 3.33Å; H1195-I1199 WeakPolarHBondContact O-CD1 2.9Å; H1195-I1199 WeakPolarHBondContact O-CG1 3.21Å; H1195-I1199 PolarHBondContact O-N 2.52Å; E1196-I1199 CarbonylContact O-C 3.34Å; A1197-I1199 VanDerWaalsContact C-N 3.31Å; A1197-I1199 PolarHBondContact O-N 3.45Å; I1199-R1203 HydrophobicContact CG2-CG 4.32Å; I1199-R1203 WeakPolarHBondContact O-CA 3.06Å; I1199-R1203 WeakPolarHBondContact O-CB 3.39Å; I1199-R1203 WeakPolarHBondContact O-CD 3.18Å; I1199-R1203 WeakPolarHBondContact O-CG 3.25Å; I1199-R1203 PolarHBondContact O-N 3.07Å |
| 1200 | Q | 74.2 | Confident | 73.8 | Confident | 110 Ų | 110 | 93 Ų | 93 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -77.3 | -26.6 | 171 | -82 | -174.9 | 33.4 | 0 | 0 | 112.3 | E1196 A1197 R1203 K1204 | E1196-Q1200 HydrophobicContact CG-CG 4.45Å; E1196-Q1200 WeakPolarHBondContact O-CA 2.9Å; E1196-Q1200 WeakPolarHBondContact O-CB 2.97Å; E1196-Q1200 WeakPolarHBondContact O-CG 3.35Å; E1196-Q1200 PolarHBondContact O-N 3.05Å; A1197-Q1200 CarbonylContact O-C 3.51Å; A1197-Q1200 PolarHBondContact O-N 3.39Å; A1197-Q1200 VanDerWaalsContact O-N 3.14Å; Q1200-R1203 CarbonylContact O-C 3.51Å; Q1200-K1204 VanDerWaalsContact O-CB 3.23Å; Q1200-K1204 WeakPolarHBondContact O-CB 3.39Å; Q1200-K1204 WeakPolarHBondContact O-CG 3.48Å; Q1200-K1204 PolarHBondContact O-N 2.75Å |
| 1201 | E | 74 | Confident | 73.8 | Confident | 140 Ų | 140 | 97.2 Ų | 97.2 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -85.1 | -38.2 | 176.6 | -167 | 156.3 | -122.9 | 0 | 0 | 110.3 | A1197 K1204 S1205 | A1197-E1201 WeakPolarHBondContact O-CB 3.09Å; A1197-E1201 PolarHBondContact O-N 2.89Å; E1201-K1204 CarbonylContact O-C 3.31Å; E1201-K1204 PolarHBondContact O-N 3.45Å; E1201-S1205 WeakPolarHBondContact O-CB 3.37Å; E1201-S1205 PolarHBondContact O-N 3.02Å |
| 1202 | M | 68.9 | Low | 73.8 | Confident | 110 Ų | 110 | 94.6 Ų | 94.6 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 160.6 | -74.4 | -88.8 | -75.6 | 0 | 0 | 111 | T1198 S1205 H1206 | T1198-M1202 WeakPolarHBondContact O-CA 3.16Å; T1198-M1202 WeakPolarHBondContact O-CB 3.4Å; T1198-M1202 WeakPolarHBondContact O-CG 3.31Å; T1198-M1202 PolarHBondContact O-N 2.55Å; M1202-S1205 PolarHBondContact O-N 3.1Å; M1202-H1206 WeakPolarHBondContact O-CA 3.49Å; M1202-H1206 WeakPolarHBondContact O-CB 3.48Å; M1202-H1206 PolarHBondContact O-CD2 2.99Å; M1202-H1206 VanDerWaalsContact O-CG 3.23Å; M1202-H1206 PolarHBondContact O-N 3.36Å |
| 1203 | R | 73.1 | Confident | 73.6 | Confident | 161 Ų | 161 | 95.4 Ų | 95.4 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -74.3 | -21.2 | 173.8 | -78 | 169.8 | 177.8 | 171.1 | 0.9 | 112.8 | I1199 Q1200 A1207 | I1199-R1203 HydrophobicContact CG2-CG 4.32Å; I1199-R1203 WeakPolarHBondContact O-CA 3.06Å; I1199-R1203 WeakPolarHBondContact O-CB 3.39Å; I1199-R1203 WeakPolarHBondContact O-CD 3.18Å; I1199-R1203 WeakPolarHBondContact O-CG 3.25Å; I1199-R1203 PolarHBondContact O-N 3.07Å; Q1200-R1203 CarbonylContact O-C 3.51Å; R1203-A1207 WeakPolarHBondContact O-CA 3.47Å; R1203-A1207 WeakPolarHBondContact O-CB 3.29Å; R1203-A1207 PolarHBondContact O-N 2.79Å |
| 1204 | K | 75 | Confident | 73.5 | Confident | 159 Ų | 159 | 94.8 Ų | 94.8 | 69% | 0.691 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -81 | -34.7 | 168.5 | -90.8 | -177.7 | 172.5 | 179.2 | 0 | 111.6 | Q1200 E1201 A1208 | Q1200-K1204 VanDerWaalsContact O-CB 3.23Å; Q1200-K1204 WeakPolarHBondContact O-CB 3.39Å; Q1200-K1204 WeakPolarHBondContact O-CG 3.48Å; Q1200-K1204 PolarHBondContact O-N 2.75Å; E1201-K1204 CarbonylContact O-C 3.31Å; E1201-K1204 PolarHBondContact O-N 3.45Å; K1204-A1208 WeakPolarHBondContact O-CA 3.37Å; K1204-A1208 WeakPolarHBondContact O-CB 3.3Å; K1204-A1208 PolarHBondContact O-N 3.02Å |
| 1205 | S | 73.5 | Confident | 73.6 | Confident | 69 Ų | 69 | 95 Ų | 95 | 48% | 0.483 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.7 | -41.6 | 171.9 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | E1201 M1202 T1209 | E1201-S1205 WeakPolarHBondContact O-CB 3.37Å; E1201-S1205 PolarHBondContact O-N 3.02Å; M1202-S1205 PolarHBondContact O-N 3.1Å; S1205-T1209 VanDerWaalsContact O-CB 3.3Å; S1205-T1209 WeakPolarHBondContact O-CB 3.4Å; S1205-T1209 WeakPolarHBondContact O-CG2 3.29Å; S1205-T1209 PolarHBondContact O-N 2.72Å; S1205-T1209 PolarHBondContact O-OG1 2.74Å |
| 1206 | H | 72.5 | Confident | 73.5 | Confident | 97 Ų | 97 | 94 Ų | 94 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -74.6 | -30.8 | 171.6 | -71 | -50 | 0 | 0 | 0 | 112.9 | M1202 T1209 L1210 | M1202-H1206 WeakPolarHBondContact O-CA 3.49Å; M1202-H1206 WeakPolarHBondContact O-CB 3.48Å; M1202-H1206 PolarHBondContact O-CD2 2.99Å; M1202-H1206 VanDerWaalsContact O-CG 3.23Å; M1202-H1206 PolarHBondContact O-N 3.36Å; H1206-T1209 WeakPolarHBondContact CA-OG1 3.06Å; H1206-L1210 WeakPolarHBondContact O-CA 3.48Å; H1206-L1210 WeakPolarHBondContact O-CB 3.34Å; H1206-L1210 WeakPolarHBondContact O-CD1 3.38Å; H1206-L1210 WeakPolarHBondContact O-CG 3.39Å; H1206-L1210 PolarHBondContact O-N 2.68Å |
| 1207 | A | 73.3 | Confident | 73.3 | Confident | 50 Ų | 50 | 93.3 Ų | 93.3 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74 | -37.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | R1203 L1210 E1211 | R1203-A1207 WeakPolarHBondContact O-CA 3.47Å; R1203-A1207 WeakPolarHBondContact O-CB 3.29Å; R1203-A1207 PolarHBondContact O-N 2.79Å; A1207-L1210 CarbonylContact O-C 3.51Å; A1207-L1210 PolarHBondContact O-N 3.23Å; A1207-E1211 WeakPolarHBondContact O-CA 3.48Å; A1207-E1211 WeakPolarHBondContact O-CB 3.22Å; A1207-E1211 PolarHBondContact O-N 2.93Å |
| 1208 | A | 77.2 | Confident | 73.2 | Confident | 48 Ų | 48 | 94.8 Ų | 94.8 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73.3 | -33.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | K1204 E1211 T1212 | K1204-A1208 WeakPolarHBondContact O-CA 3.37Å; K1204-A1208 WeakPolarHBondContact O-CB 3.3Å; K1204-A1208 PolarHBondContact O-N 3.02Å; A1208-E1211 PolarHBondContact O-N 3.5Å; A1208-T1212 WeakPolarHBondContact O-CG2 3.25Å; A1208-T1212 PolarHBondContact O-N 2.83Å; A1208-T1212 PolarHBondContact O-OG1 2.76Å; A1208-T1212 VanDerWaalsContact O-OG1 3.09Å |
| 1209 | T | 72.7 | Confident | 73.1 | Confident | 60 Ų | 60 | 97.9 Ų | 97.9 | 37% | 0.368 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -79.7 | -25.8 | 170 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | S1205 H1206 T1212 L1213 | S1205-T1209 VanDerWaalsContact O-CB 3.3Å; S1205-T1209 WeakPolarHBondContact O-CB 3.4Å; S1205-T1209 WeakPolarHBondContact O-CG2 3.29Å; S1205-T1209 PolarHBondContact O-N 2.72Å; S1205-T1209 PolarHBondContact O-OG1 2.74Å; H1206-T1209 WeakPolarHBondContact CA-OG1 3.06Å; T1209-T1212 WeakPolarHBondContact CA-OG1 3.39Å; T1209-T1212 PolarHBondContact O-OG1 2.64Å; T1209-L1213 WeakPolarHBondContact O-CA 3.21Å; T1209-L1213 WeakPolarHBondContact O-CB 3.25Å; T1209-L1213 WeakPolarHBondContact O-CD1 3.08Å; T1209-L1213 WeakPolarHBondContact O-CG 3.2Å; T1209-L1213 PolarHBondContact O-N 3.3Å |
| 1210 | L | 71.2 | Confident | 72.9 | Confident | 114 Ų | 114 | 99.3 Ų | 99.3 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -75 | -25.9 | 164.6 | -78.3 | 168.2 | 0 | 0 | 0 | 112.1 | H1206 A1207 L1213 N1214 | H1206-L1210 WeakPolarHBondContact O-CA 3.48Å; H1206-L1210 WeakPolarHBondContact O-CB 3.34Å; H1206-L1210 WeakPolarHBondContact O-CD1 3.38Å; H1206-L1210 WeakPolarHBondContact O-CG 3.39Å; H1206-L1210 PolarHBondContact O-N 2.68Å; A1207-L1210 CarbonylContact O-C 3.51Å; A1207-L1210 PolarHBondContact O-N 3.23Å; L1210-L1213 CarbonylContact O-C 3.47Å; L1210-N1214 WeakPolarHBondContact O-CA 3.17Å; L1210-N1214 WeakPolarHBondContact O-CB 3.35Å; L1210-N1214 PolarHBondContact O-N 2.9Å |
| 1211 | E | 77.4 | Confident | 72.7 | Confident | 135 Ų | 135 | 99.5 Ų | 99.5 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -82.5 | -38.6 | 176.8 | -171.9 | 164.3 | -128.6 | 0 | 0 | 109.3 | A1207 A1208 N1214 D1215 | A1207-E1211 WeakPolarHBondContact O-CA 3.48Å; A1207-E1211 WeakPolarHBondContact O-CB 3.22Å; A1207-E1211 PolarHBondContact O-N 2.93Å; A1208-E1211 PolarHBondContact O-N 3.5Å; E1211-N1214 CarbonylContact O-C 3.47Å; E1211-N1214 PolarHBondContact O-N 3.17Å; E1211-D1215 WeakPolarHBondContact O-CA 3.46Å; E1211-D1215 WeakPolarHBondContact O-CB 3.45Å; E1211-D1215 PolarHBondContact O-N 2.54Å |
| 1212 | T | 73.8 | Confident | 72.6 | Confident | 73 Ų | 73 | 99.1 Ų | 99.1 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72 | -29.2 | 165.5 | 61.6 | 0 | 0 | 0 | 0 | 112.8 | A1208 T1209 Q1216 | A1208-T1212 WeakPolarHBondContact O-CG2 3.25Å; A1208-T1212 PolarHBondContact O-N 2.83Å; A1208-T1212 PolarHBondContact O-OG1 2.76Å; A1208-T1212 VanDerWaalsContact O-OG1 3.09Å; T1209-T1212 WeakPolarHBondContact CA-OG1 3.39Å; T1209-T1212 PolarHBondContact O-OG1 2.64Å; T1212-Q1216 WeakPolarHBondContact O-CA 3.28Å; T1212-Q1216 WeakPolarHBondContact O-CB 3.41Å; T1212-Q1216 WeakPolarHBondContact O-CG 3.32Å; T1212-Q1216 PolarHBondContact O-N 2.74Å |
| 1213 | L | 69.9 | Low | 72.6 | Confident | 82 Ų | 82 | 95.6 Ų | 95.6 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -75 | -26.9 | 168.4 | -78.9 | 165.6 | 0 | 0 | 0 | 112.1 | T1209 L1210 Q1216 I1217 | T1209-L1213 WeakPolarHBondContact O-CA 3.21Å; T1209-L1213 WeakPolarHBondContact O-CB 3.25Å; T1209-L1213 WeakPolarHBondContact O-CD1 3.08Å; T1209-L1213 WeakPolarHBondContact O-CG 3.2Å; T1209-L1213 PolarHBondContact O-N 3.3Å; L1210-L1213 CarbonylContact O-C 3.47Å; L1213-Q1216 CarbonylContact O-C 3.57Å; L1213-I1217 WeakPolarHBondContact O-CA 3.02Å; L1213-I1217 WeakPolarHBondContact O-CB 3.01Å; L1213-I1217 WeakPolarHBondContact O-CD1 3.45Å; L1213-I1217 WeakPolarHBondContact O-CG1 3.49Å; L1213-I1217 PolarHBondContact O-N 3.41Å |
| 1214 | N | 73.3 | Confident | 72.5 | Confident | 85 Ų | 85 | 93.4 Ų | 93.4 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -88.2 | -22.2 | 176.4 | -168.7 | 59.3 | 0 | 0 | 0 | 111.9 | L1210 E1211 I1217 E1218 | L1210-N1214 WeakPolarHBondContact O-CA 3.17Å; L1210-N1214 WeakPolarHBondContact O-CB 3.35Å; L1210-N1214 PolarHBondContact O-N 2.9Å; E1211-N1214 CarbonylContact O-C 3.47Å; E1211-N1214 PolarHBondContact O-N 3.17Å; N1214-I1217 CarbonylContact O-C 3.39Å; N1214-E1218 WeakPolarHBondContact O-CA 2.95Å; N1214-E1218 WeakPolarHBondContact O-CB 3.27Å; N1214-E1218 WeakPolarHBondContact O-CG 2.97Å; N1214-E1218 PolarHBondContact O-N 3.08Å |
| 1215 | D | 75.2 | Confident | 72.3 | Confident | 93 Ų | 93 | 88.9 Ų | 88.9 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -77.2 | -34.1 | 162 | -86.5 | -14.8 | 0 | 0 | 0 | 110.8 | E1211 E1218 Q1219 | E1211-D1215 WeakPolarHBondContact O-CA 3.46Å; E1211-D1215 WeakPolarHBondContact O-CB 3.45Å; E1211-D1215 PolarHBondContact O-N 2.54Å; D1215-E1218 CarbonylContact O-C 3.54Å; D1215-E1218 PolarHBondContact O-N 2.87Å; D1215-Q1219 WeakPolarHBondContact O-CA 3.04Å; D1215-Q1219 WeakPolarHBondContact O-CB 3.48Å; D1215-Q1219 VanDerWaalsContact O-CG 3.29Å; D1215-Q1219 WeakPolarHBondContact O-CG 3.39Å; D1215-Q1219 PolarHBondContact O-N 3.36Å |
| 1216 | Q | 70.2 | Confident | 72.1 | Confident | 99 Ų | 99 | 86.5 Ų | 86.5 | 46% | 0.463 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -73 | -28.4 | 166.8 | -76.5 | 169.3 | 4 | 0 | 0 | 111.3 | T1212 L1213 L1220 | T1212-Q1216 WeakPolarHBondContact O-CA 3.28Å; T1212-Q1216 WeakPolarHBondContact O-CB 3.41Å; T1212-Q1216 WeakPolarHBondContact O-CG 3.32Å; T1212-Q1216 PolarHBondContact O-N 2.74Å; L1213-Q1216 CarbonylContact O-C 3.57Å; Q1216-L1220 WeakPolarHBondContact O-CA 3.41Å; Q1216-L1220 WeakPolarHBondContact O-CB 3.2Å; Q1216-L1220 WeakPolarHBondContact O-CD1 3.44Å; Q1216-L1220 WeakPolarHBondContact O-CG 3.25Å; Q1216-L1220 PolarHBondContact O-N 2.91Å |
| 1217 | I | 70.9 | Confident | 71.8 | Confident | 75 Ų | 75 | 87 Ų | 87 | 39% | 0.385 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -82.3 | -23.9 | 170.5 | -73 | 161.8 | 0 | 0 | 0 | 110.8 | L1213 N1214 L1220 K1221 | L1213-I1217 WeakPolarHBondContact O-CA 3.02Å; L1213-I1217 WeakPolarHBondContact O-CB 3.01Å; L1213-I1217 WeakPolarHBondContact O-CD1 3.45Å; L1213-I1217 WeakPolarHBondContact O-CG1 3.49Å; L1213-I1217 PolarHBondContact O-N 3.41Å; N1214-I1217 CarbonylContact O-C 3.39Å; I1217-L1220 CarbonylContact O-C 3.58Å; I1217-K1221 HydrophobicContact CG2-CD 3.92Å; I1217-K1221 VanDerWaalsContact CG2-CE 3.49Å; I1217-K1221 HydrophobicContact CG2-CG 4.29Å; I1217-K1221 WeakPolarHBondContact O-CA 2.95Å; I1217-K1221 WeakPolarHBondContact O-CB 3.45Å; I1217-K1221 WeakPolarHBondContact O-CD 3.3Å; I1217-K1221 WeakPolarHBondContact O-CG 3.36Å; I1217-K1221 PolarHBondContact O-N 3.1Å |
| 1218 | E | 74.2 | Confident | 71.4 | Confident | 81 Ų | 81 | 89 Ų | 89 | 38% | 0.379 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -77.4 | -36.8 | 167.4 | -91.2 | -110.9 | 151.1 | 0 | 0 | 110.8 | N1214 D1215 K1221 K1222 | N1214-E1218 WeakPolarHBondContact O-CA 2.95Å; N1214-E1218 WeakPolarHBondContact O-CB 3.27Å; N1214-E1218 WeakPolarHBondContact O-CG 2.97Å; N1214-E1218 PolarHBondContact O-N 3.08Å; D1215-E1218 CarbonylContact O-C 3.54Å; D1215-E1218 PolarHBondContact O-N 2.87Å; E1218-K1221 CarbonylContact O-C 2.92Å; E1218-K1221 PolarHBondContact O-N 3.27Å; E1218-K1222 WeakPolarHBondContact O-CA 3.34Å; E1218-K1222 WeakPolarHBondContact O-CB 3.49Å; E1218-K1222 WeakPolarHBondContact O-CD 3.22Å; E1218-K1222 WeakPolarHBondContact O-CG 3.38Å; E1218-K1222 PolarHBondContact O-N 3.03Å; E1218-K1222 WeakPolarHBondContact OE2-CE 3.38Å; E1218-K1222 IonicContact OE2-NZ 3.74Å; E1218-K1222 PolarHBondContact OE2-NZ 2.65Å |
| 1219 | Q | 71.3 | Confident | 71 | Confident | 135 Ų | 135 | 93.5 Ų | 93.5 | 63% | 0.631 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -70.8 | -36.8 | 169.3 | -78.6 | -173.7 | -51.3 | 0 | 0 | 110.6 | D1215 K1221 S1223 | D1215-Q1219 WeakPolarHBondContact O-CA 3.04Å; D1215-Q1219 WeakPolarHBondContact O-CB 3.48Å; D1215-Q1219 VanDerWaalsContact O-CG 3.29Å; D1215-Q1219 WeakPolarHBondContact O-CG 3.39Å; D1215-Q1219 PolarHBondContact O-N 3.36Å; Q1219-K1221 VanDerWaalsContact C-N 3.35Å; Q1219-S1223 WeakPolarHBondContact O-CA 3.09Å; Q1219-S1223 WeakPolarHBondContact O-CB 3.09Å; Q1219-S1223 PolarHBondContact O-N 3.44Å; Q1219-S1223 PolarHBondContact O-OG 3.27Å; Q1219-S1223 VanDerWaalsContact O-OG 3.04Å |
| 1220 | L | 69.1 | Low | 70.7 | Confident | 110 Ų | 110 | 92.5 Ų | 92.5 | 58% | 0.576 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -77.7 | -16 | 170.8 | -71.3 | 165.9 | 0 | 0 | 0 | 112.3 | Q1216 I1217 S1223 K1224 | Q1216-L1220 WeakPolarHBondContact O-CA 3.41Å; Q1216-L1220 WeakPolarHBondContact O-CB 3.2Å; Q1216-L1220 WeakPolarHBondContact O-CD1 3.44Å; Q1216-L1220 WeakPolarHBondContact O-CG 3.25Å; Q1216-L1220 PolarHBondContact O-N 2.91Å; I1217-L1220 CarbonylContact O-C 3.58Å; L1220-S1223 WeakPolarHBondContact CA-OG 3.19Å; L1220-K1224 WeakPolarHBondContact O-CA 3.48Å; L1220-K1224 WeakPolarHBondContact O-CB 3.31Å; L1220-K1224 PolarHBondContact O-N 2.89Å |
| 1221 | K | 69.3 | Low | 70.5 | Confident | 114 Ų | 114 | 93.3 Ų | 93.3 | 50% | 0.496 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -88.8 | -31 | 167.8 | -80.8 | 165.1 | -176 | 165.1 | 0 | 112 | I1217 E1218 Q1219 V1225 | I1217-K1221 HydrophobicContact CG2-CD 3.92Å; I1217-K1221 VanDerWaalsContact CG2-CE 3.49Å; I1217-K1221 HydrophobicContact CG2-CG 4.29Å; I1217-K1221 WeakPolarHBondContact O-CA 2.95Å; I1217-K1221 WeakPolarHBondContact O-CB 3.45Å; I1217-K1221 WeakPolarHBondContact O-CD 3.3Å; I1217-K1221 WeakPolarHBondContact O-CG 3.36Å; I1217-K1221 PolarHBondContact O-N 3.1Å; E1218-K1221 CarbonylContact O-C 2.92Å; E1218-K1221 PolarHBondContact O-N 3.27Å; Q1219-K1221 VanDerWaalsContact C-N 3.35Å; K1221-V1225 WeakPolarHBondContact O-CA 3.37Å; K1221-V1225 WeakPolarHBondContact O-CB 3.31Å; K1221-V1225 WeakPolarHBondContact O-CG2 3.47Å; K1221-V1225 PolarHBondContact O-N 3.06Å |
| 1222 | K | 72.9 | Confident | 70.2 | Confident | 132 Ų | 132 | 88.7 Ų | 88.7 | 57% | 0.574 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -76.7 | -40.5 | 172.1 | -76.2 | 160.6 | 175.1 | 154.8 | 0 | 109.7 | E1218 V1225 S1226 | E1218-K1222 WeakPolarHBondContact O-CA 3.34Å; E1218-K1222 WeakPolarHBondContact O-CB 3.49Å; E1218-K1222 WeakPolarHBondContact O-CD 3.22Å; E1218-K1222 WeakPolarHBondContact O-CG 3.38Å; E1218-K1222 PolarHBondContact O-N 3.03Å; E1218-K1222 WeakPolarHBondContact OE2-CE 3.38Å; E1218-K1222 IonicContact OE2-NZ 3.74Å; E1218-K1222 PolarHBondContact OE2-NZ 2.65Å; K1222-V1225 CarbonylContact O-C 3.2Å; K1222-V1225 PolarHBondContact O-N 3.23Å; K1222-S1226 VanDerWaalsContact O-CB 3.25Å; K1222-S1226 WeakPolarHBondContact O-CB 3.26Å; K1222-S1226 PolarHBondContact O-N 2.71Å |
| 1223 | S | 69.3 | Low | 69.9 | Low | 36 Ų | 36 | 89.2 Ų | 89.2 | 25% | 0.252 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.7 | -41.7 | 169.9 | 86.4 | 0 | 0 | 0 | 0 | 110.5 | Q1219 L1220 V1225 S1226 L1227 | Q1219-S1223 WeakPolarHBondContact O-CA 3.09Å; Q1219-S1223 WeakPolarHBondContact O-CB 3.09Å; Q1219-S1223 PolarHBondContact O-N 3.44Å; Q1219-S1223 PolarHBondContact O-OG 3.27Å; Q1219-S1223 VanDerWaalsContact O-OG 3.04Å; L1220-S1223 WeakPolarHBondContact CA-OG 3.19Å; S1223-V1225 PolarHBondContact O-N 2.88Å; S1223-S1226 WeakPolarHBondContact CA-OG 3.32Å; S1223-S1226 CarbonylContact O-C 3.22Å; S1223-S1226 WeakPolarHBondContact O-CA 3.36Å; S1223-S1226 PolarHBondContact O-N 3.21Å; S1223-S1226 VanDerWaalsContact O-N 3.1Å; S1223-S1226 PolarHBondContact O-OG 2.98Å; S1223-L1227 WeakPolarHBondContact O-CA 3.35Å; S1223-L1227 WeakPolarHBondContact O-CB 3.4Å; S1223-L1227 WeakPolarHBondContact O-CG 3.38Å; S1223-L1227 PolarHBondContact O-N 2.86Å |
| 1224 | K | 70.1 | Confident | 69.4 | Low | 114 Ų | 114 | 91.1 Ų | 91.1 | 50% | 0.496 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63 | -34.6 | 168.2 | 178.6 | 178.8 | 167.8 | -177.8 | 0 | 112.4 | L1220 L1227 E1228 | L1220-K1224 WeakPolarHBondContact O-CA 3.48Å; L1220-K1224 WeakPolarHBondContact O-CB 3.31Å; L1220-K1224 PolarHBondContact O-N 2.89Å; K1224-L1227 PolarHBondContact O-N 2.89Å; K1224-E1228 WeakPolarHBondContact CE-OE1 3.36Å; K1224-E1228 HydrophobicContact CG-CG 3.97Å; K1224-E1228 IonicContact NZ-OE1 2.63Å; K1224-E1228 PolarHBondContact NZ-OE1 3.43Å; K1224-E1228 WeakPolarHBondContact O-CA 3.27Å; K1224-E1228 WeakPolarHBondContact O-CB 3.43Å; K1224-E1228 VanDerWaalsContact O-CG 3.3Å; K1224-E1228 WeakPolarHBondContact O-CG 3.42Å; K1224-E1228 PolarHBondContact O-N 2.88Å |
| 1225 | V | 70.4 | Confident | 69.1 | Low | 65 Ų | 65 | 90.3 Ų | 90.3 | 39% | 0.394 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -73.2 | -32.3 | 172.3 | 165.7 | 0 | 0 | 0 | 0 | 110.3 | K1221 K1222 S1223 R1229 | K1221-V1225 WeakPolarHBondContact O-CA 3.37Å; K1221-V1225 WeakPolarHBondContact O-CB 3.31Å; K1221-V1225 WeakPolarHBondContact O-CG2 3.47Å; K1221-V1225 PolarHBondContact O-N 3.06Å; K1222-V1225 CarbonylContact O-C 3.2Å; K1222-V1225 PolarHBondContact O-N 3.23Å; S1223-V1225 PolarHBondContact O-N 2.88Å; V1225-R1229 HydrophobicContact CG1-CG 4.37Å; V1225-R1229 WeakPolarHBondContact O-CA 3.34Å; V1225-R1229 WeakPolarHBondContact O-CB 3.46Å; V1225-R1229 WeakPolarHBondContact O-CG 3.15Å; V1225-R1229 PolarHBondContact O-N 2.75Å |
| 1226 | S | 70.9 | Confident | 69 | Low | 19 Ų | 19 | 87.6 Ų | 87.6 | 13% | 0.133 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -74.1 | -23.9 | 172.5 | 87.2 | 0 | 0 | 0 | 0 | 113.1 | K1222 S1223 S1230 A1991 | K1222-S1226 VanDerWaalsContact O-CB 3.25Å; K1222-S1226 WeakPolarHBondContact O-CB 3.26Å; K1222-S1226 PolarHBondContact O-N 2.71Å; S1223-S1226 WeakPolarHBondContact CA-OG 3.32Å; S1223-S1226 CarbonylContact O-C 3.22Å; S1223-S1226 WeakPolarHBondContact O-CA 3.36Å; S1223-S1226 PolarHBondContact O-N 3.21Å; S1223-S1226 VanDerWaalsContact O-N 3.1Å; S1223-S1226 PolarHBondContact O-OG 2.98Å; S1226-S1230 VanDerWaalsContact O-CA 3.28Å; S1226-S1230 WeakPolarHBondContact O-CA 3.33Å; S1226-S1230 WeakPolarHBondContact O-CB 3.47Å; S1226-S1230 PolarHBondContact O-N 2.85Å; S1226-A1991 PolarHBondContact OG-O 2.88Å |
| 1227 | L | 65.3 | Low | 68.7 | Low | 107 Ų | 107 | 85.5 Ų | 85.5 | 56% | 0.56 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -100.5 | -29.4 | -177.8 | -83.4 | 166.6 | 0 | 0 | 0 | 112.1 | S1223 K1224 K1231 | S1223-L1227 WeakPolarHBondContact O-CA 3.35Å; S1223-L1227 WeakPolarHBondContact O-CB 3.4Å; S1223-L1227 WeakPolarHBondContact O-CG 3.38Å; S1223-L1227 PolarHBondContact O-N 2.86Å; K1224-L1227 PolarHBondContact O-N 2.89Å; L1227-K1231 WeakPolarHBondContact O-CA 3.06Å; L1227-K1231 WeakPolarHBondContact O-CB 3.25Å; L1227-K1231 PolarHBondContact O-N 3.49Å |
| 1228 | E | 64.6 | Low | 68.3 | Low | 92 Ų | 92 | 85.2 Ų | 85.2 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.7 | -66.6 | 155.8 | -79.1 | 178.8 | 156.3 | 0 | 0 | 104.3 | K1224 S1230 K1231 V1232 | K1224-E1228 WeakPolarHBondContact CE-OE1 3.36Å; K1224-E1228 HydrophobicContact CG-CG 3.97Å; K1224-E1228 IonicContact NZ-OE1 2.63Å; K1224-E1228 PolarHBondContact NZ-OE1 3.43Å; K1224-E1228 WeakPolarHBondContact O-CA 3.27Å; K1224-E1228 WeakPolarHBondContact O-CB 3.43Å; K1224-E1228 VanDerWaalsContact O-CG 3.3Å; K1224-E1228 WeakPolarHBondContact O-CG 3.42Å; K1224-E1228 PolarHBondContact O-N 2.88Å; E1228-S1230 VanDerWaalsContact C-N 3.26Å; E1228-S1230 PolarHBondContact O-N 3.32Å; E1228-K1231 CarbonylContact O-C 3.56Å; E1228-K1231 WeakPolarHBondContact O-CA 3.34Å; E1228-K1231 WeakPolarHBondContact O-CB 3.34Å; E1228-K1231 PolarHBondContact O-N 2.95Å; E1228-V1232 WeakPolarHBondContact O-CB 3.34Å; E1228-V1232 WeakPolarHBondContact O-CG2 3.46Å; E1228-V1232 PolarHBondContact O-N 2.9Å |
| 1229 | R | 70.1 | Confident | 68.1 | Low | 142 Ų | 142 | 85.4 Ų | 85.4 | 54% | 0.536 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -51.3 | -39.2 | 178.4 | -72.6 | 179.7 | -179.7 | 176 | 2.2 | 114.1 | V1225 V1232 Q1233 T1988 P1989 | V1225-R1229 HydrophobicContact CG1-CG 4.37Å; V1225-R1229 WeakPolarHBondContact O-CA 3.34Å; V1225-R1229 WeakPolarHBondContact O-CB 3.46Å; V1225-R1229 WeakPolarHBondContact O-CG 3.15Å; V1225-R1229 PolarHBondContact O-N 2.75Å; R1229-V1232 CarbonylContact O-C 3.47Å; R1229-V1232 PolarHBondContact O-N 3.32Å; R1229-Q1233 PolarHBondContact O-N 2.88Å; R1229-T1988 CarbonylContact C-O 3.46Å; R1229-T1988 WeakPolarHBondContact CA-O 3.34Å; R1229-T1988 VanDerWaalsContact CB-O 3.22Å; R1229-T1988 WeakPolarHBondContact CB-O 3.26Å; R1229-T1988 WeakPolarHBondContact CG-O 3.4Å; R1229-T1988 CarbonylContact O-C 3.59Å; R1229-P1989 VanDerWaalsContact CB-O 3.24Å; R1229-P1989 WeakPolarHBondContact CB-O 3.47Å; R1229-P1989 WeakPolarHBondContact CD-O 3.28Å; R1229-P1989 WeakPolarHBondContact O-CA 3.42Å |
| 1230 | S | 65.2 | Low | 68.1 | Low | 39 Ų | 39 | 81.4 Ų | 81.4 | 27% | 0.273 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -74.9 | -42.4 | 177.5 | -170.4 | 0 | 0 | 0 | 0 | 112.3 | S1226 E1228 V1232 Q1233 Q1234 | S1226-S1230 VanDerWaalsContact O-CA 3.28Å; S1226-S1230 WeakPolarHBondContact O-CA 3.33Å; S1226-S1230 WeakPolarHBondContact O-CB 3.47Å; S1226-S1230 PolarHBondContact O-N 2.85Å; E1228-S1230 VanDerWaalsContact C-N 3.26Å; E1228-S1230 PolarHBondContact O-N 3.32Å; S1230-V1232 PolarHBondContact O-N 3.48Å; S1230-Q1233 PolarHBondContact O-N 3.19Å; S1230-Q1234 WeakPolarHBondContact O-CA 3.07Å; S1230-Q1234 VanDerWaalsContact O-CB 3.25Å; S1230-Q1234 WeakPolarHBondContact O-CB 3.21Å; S1230-Q1234 WeakPolarHBondContact O-CG 3.23Å; S1230-Q1234 PolarHBondContact O-N 2.91Å |
| 1231 | K | 66.5 | Low | 67.6 | Low | 132 Ų | 132 | 79.7 Ų | 79.7 | 57% | 0.574 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -53.8 | -35 | 165.9 | 173.1 | -175.1 | 172.8 | -176.4 | 0 | 110.8 | L1227 E1228 Q1234 D1235 | L1227-K1231 WeakPolarHBondContact O-CA 3.06Å; L1227-K1231 WeakPolarHBondContact O-CB 3.25Å; L1227-K1231 PolarHBondContact O-N 3.49Å; E1228-K1231 CarbonylContact O-C 3.56Å; E1228-K1231 WeakPolarHBondContact O-CA 3.34Å; E1228-K1231 WeakPolarHBondContact O-CB 3.34Å; E1228-K1231 PolarHBondContact O-N 2.95Å; K1231-Q1234 CarbonylContact O-C 3.57Å; K1231-Q1234 VanDerWaalsContact O-CB 3.3Å; K1231-Q1234 WeakPolarHBondContact O-CB 3.33Å; K1231-Q1234 PolarHBondContact O-N 3.4Å; K1231-D1235 WeakPolarHBondContact O-CB 3.23Å; K1231-D1235 PolarHBondContact O-N 2.86Å |
| 1232 | V | 70.7 | Confident | 67.3 | Low | 38 Ų | 38 | 80.4 Ų | 80.4 | 23% | 0.23 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -83.6 | -38.2 | -170.6 | 164.5 | 0 | 0 | 0 | 0 | 105.8 | E1228 R1229 S1230 D1235 S1236 S1987 T1988 | E1228-V1232 WeakPolarHBondContact O-CB 3.34Å; E1228-V1232 WeakPolarHBondContact O-CG2 3.46Å; E1228-V1232 PolarHBondContact O-N 2.9Å; R1229-V1232 CarbonylContact O-C 3.47Å; R1229-V1232 PolarHBondContact O-N 3.32Å; S1230-V1232 PolarHBondContact O-N 3.48Å; V1232-D1235 PolarHBondContact O-N 2.85Å; V1232-S1236 PolarHBondContact O-N 3.38Å; V1232-S1236 VanDerWaalsContact O-N 3.13Å; V1232-S1236 PolarHBondContact O-OG 3.47Å; V1232-S1987 VanDerWaalsContact C-CA 3.5Å; V1232-S1987 WeakPolarHBondContact CG1-O 3.29Å; V1232-S1987 CarbonylContact O-C 3.5Å; V1232-S1987 WeakPolarHBondContact O-CA 3.24Å; V1232-S1987 WeakPolarHBondContact O-CB 3.21Å; V1232-T1988 WeakPolarHBondContact CG1-O 3.27Å; V1232-T1988 PolarHBondContact O-N 3.32Å |
| 1233 | Q | 69.5 | Low | 67.2 | Low | 84 Ų | 84 | 80.2 Ų | 80.2 | 39% | 0.393 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 165 | -174.6 | 164.6 | 66 | 0 | 0 | 111.5 | R1229 S1230 D1235 S1236 T1237 P1989 | R1229-Q1233 PolarHBondContact O-N 2.88Å; S1230-Q1233 PolarHBondContact O-N 3.19Å; Q1233-D1235 VanDerWaalsContact C-N 3.34Å; Q1233-D1235 PolarHBondContact O-N 3.43Å; Q1233-S1236 WeakPolarHBondContact CA-OG 3.49Å; Q1233-S1236 CarbonylContact O-C 3.54Å; Q1233-S1236 PolarHBondContact O-N 2.85Å; Q1233-S1236 PolarHBondContact O-OG 3.06Å; Q1233-T1237 HydrophobicContact CG-CG2 4.22Å; Q1233-T1237 PolarHBondContact O-N 3.17Å; Q1233-T1237 PolarHBondContact O-OG1 3.36Å; Q1233-T1237 VanDerWaalsContact O-OG1 3.13Å; Q1233-P1989 HydrophobicContact CB-CB 3.77Å; Q1233-P1989 HydrophobicContact CG-CB 4.25Å |
| 1234 | Q | 58.5 | Low | 66.9 | Low | 121 Ų | 121 | 82.9 Ų | 82.9 | 57% | 0.565 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -51.7 | -54.2 | 171.2 | -70.5 | -102.4 | -60.2 | 0 | 0 | 108.8 | S1230 K1231 S1236 T1237 T1238 | S1230-Q1234 WeakPolarHBondContact O-CA 3.07Å; S1230-Q1234 VanDerWaalsContact O-CB 3.25Å; S1230-Q1234 WeakPolarHBondContact O-CB 3.21Å; S1230-Q1234 WeakPolarHBondContact O-CG 3.23Å; S1230-Q1234 PolarHBondContact O-N 2.91Å; K1231-Q1234 CarbonylContact O-C 3.57Å; K1231-Q1234 VanDerWaalsContact O-CB 3.3Å; K1231-Q1234 WeakPolarHBondContact O-CB 3.33Å; K1231-Q1234 PolarHBondContact O-N 3.4Å; Q1234-S1236 PolarHBondContact O-N 3.32Å; Q1234-T1237 VanDerWaalsContact CA-OG1 3.25Å; Q1234-T1237 WeakPolarHBondContact CA-OG1 3.27Å; Q1234-T1237 CarbonylContact O-C 3.58Å; Q1234-T1237 VanDerWaalsContact O-CA 3.29Å; Q1234-T1237 WeakPolarHBondContact O-CA 3.31Å; Q1234-T1237 PolarHBondContact O-N 3.25Å; Q1234-T1237 PolarHBondContact O-OG1 3.09Å; Q1234-T1238 WeakPolarHBondContact O-CB 3.37Å; Q1234-T1238 PolarHBondContact O-N 2.64Å; Q1234-T1238 PolarHBondContact O-OG1 2.85Å |
| 1235 | D | 67.7 | Low | 66.3 | Low | 68 Ų | 68 | 82 Ų | 82 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -54 | -45.2 | 177.1 | -69.9 | -27.4 | 0 | 0 | 0 | 112.4 | K1231 V1232 Q1233 T1237 T1238 D1239 | K1231-D1235 WeakPolarHBondContact O-CB 3.23Å; K1231-D1235 PolarHBondContact O-N 2.86Å; V1232-D1235 PolarHBondContact O-N 2.85Å; Q1233-D1235 VanDerWaalsContact C-N 3.34Å; Q1233-D1235 PolarHBondContact O-N 3.43Å; D1235-T1237 PolarHBondContact O-N 3.19Å; D1235-T1238 PolarHBondContact O-N 2.85Å; D1235-T1238 VanDerWaalsContact O-N 3.14Å; D1235-D1239 PolarHBondContact O-N 2.67Å |
| 1236 | S | 72 | Confident | 66.1 | Low | 36 Ų | 36 | 85.9 Ų | 85.9 | 25% | 0.252 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.1 | -35.7 | 172.7 | 47.7 | 0 | 0 | 0 | 0 | 113.3 | V1232 Q1233 Q1234 T1238 A1240 | V1232-S1236 PolarHBondContact O-N 3.38Å; V1232-S1236 VanDerWaalsContact O-N 3.13Å; V1232-S1236 PolarHBondContact O-OG 3.47Å; Q1233-S1236 WeakPolarHBondContact CA-OG 3.49Å; Q1233-S1236 CarbonylContact O-C 3.54Å; Q1233-S1236 PolarHBondContact O-N 2.85Å; Q1233-S1236 PolarHBondContact O-OG 3.06Å; Q1234-S1236 PolarHBondContact O-N 3.32Å; S1236-T1238 VanDerWaalsContact C-N 3.31Å; S1236-A1240 WeakPolarHBondContact O-CB 3.34Å; S1236-A1240 PolarHBondContact O-N 3.35Å |
| 1237 | T | 64.6 | Low | 65.9 | Low | 56 Ų | 56 | 86.6 Ų | 86.6 | 34% | 0.344 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -76.4 | -17.7 | 172 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | Q1233 Q1234 D1235 L1241 | Q1233-T1237 HydrophobicContact CG-CG2 4.22Å; Q1233-T1237 PolarHBondContact O-N 3.17Å; Q1233-T1237 PolarHBondContact O-OG1 3.36Å; Q1233-T1237 VanDerWaalsContact O-OG1 3.13Å; Q1234-T1237 VanDerWaalsContact CA-OG1 3.25Å; Q1234-T1237 WeakPolarHBondContact CA-OG1 3.27Å; Q1234-T1237 CarbonylContact O-C 3.58Å; Q1234-T1237 VanDerWaalsContact O-CA 3.29Å; Q1234-T1237 WeakPolarHBondContact O-CA 3.31Å; Q1234-T1237 PolarHBondContact O-N 3.25Å; Q1234-T1237 PolarHBondContact O-OG1 3.09Å; D1235-T1237 PolarHBondContact O-N 3.19Å; T1237-L1241 WeakPolarHBondContact O-CA 3.22Å; T1237-L1241 WeakPolarHBondContact O-CB 3.32Å; T1237-L1241 VanDerWaalsContact O-CD1 3.29Å; T1237-L1241 WeakPolarHBondContact O-CD1 2.86Å; T1237-L1241 WeakPolarHBondContact O-CG 3.03Å; T1237-L1241 PolarHBondContact O-N 2.8Å |
| 1238 | T | 62.3 | Low | 65.3 | Low | 68 Ų | 68 | 84.5 Ų | 84.5 | 42% | 0.417 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -80.7 | -43.3 | 175.7 | -59.2 | 0 | 0 | 0 | 0 | 108.5 | Q1234 D1235 S1236 L1241 Q1242 | Q1234-T1238 WeakPolarHBondContact O-CB 3.37Å; Q1234-T1238 PolarHBondContact O-N 2.64Å; Q1234-T1238 PolarHBondContact O-OG1 2.85Å; D1235-T1238 PolarHBondContact O-N 2.85Å; D1235-T1238 VanDerWaalsContact O-N 3.14Å; S1236-T1238 VanDerWaalsContact C-N 3.31Å; T1238-L1241 CarbonylContact O-C 3.53Å; T1238-L1241 PolarHBondContact O-N 2.85Å; T1238-Q1242 WeakPolarHBondContact O-CB 3.29Å; T1238-Q1242 PolarHBondContact O-N 2.7Å |
| 1239 | D | 69.6 | Low | 65.1 | Low | 85 Ų | 85 | 88.6 Ų | 88.6 | 46% | 0.455 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 172.5 | -165.7 | 63.6 | 0 | 0 | 0 | 111.5 | D1235 Q1242 K1243 | D1235-D1239 PolarHBondContact O-N 2.67Å; D1239-Q1242 PolarHBondContact O-N 2.67Å; D1239-K1243 WeakPolarHBondContact O-CD 3.4Å; D1239-K1243 PolarHBondContact O-N 2.85Å; D1239-K1243 IonicContact OD2-NZ 3.96Å; D1239-K1243 PolarHBondContact OD2-NZ 2.76Å |
| 1240 | A | 72.2 | Confident | 64.8 | Low | 51 Ų | 51 | 88.9 Ų | 88.9 | 42% | 0.421 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.6 | -41.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1236 Q1242 K1243 Q1244 | S1236-A1240 WeakPolarHBondContact O-CB 3.34Å; S1236-A1240 PolarHBondContact O-N 3.35Å; A1240-Q1242 VanDerWaalsContact C-N 3.3Å; A1240-Q1242 PolarHBondContact O-N 2.7Å; A1240-K1243 CarbonylContact O-C 3.47Å; A1240-K1243 PolarHBondContact O-N 2.85Å; A1240-Q1244 VanDerWaalsContact O-CB 3.28Å; A1240-Q1244 WeakPolarHBondContact O-CB 3.29Å; A1240-Q1244 PolarHBondContact O-N 2.81Å |
| 1241 | L | 57.4 | Low | 64 | Low | 74 Ų | 74 | 89.9 Ų | 89.9 | 39% | 0.387 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.7 | -23.6 | 175 | -78.6 | 164.1 | 0 | 0 | 0 | 111.7 | T1237 T1238 Q1244 I1245 | T1237-L1241 WeakPolarHBondContact O-CA 3.22Å; T1237-L1241 WeakPolarHBondContact O-CB 3.32Å; T1237-L1241 VanDerWaalsContact O-CD1 3.29Å; T1237-L1241 WeakPolarHBondContact O-CD1 2.86Å; T1237-L1241 WeakPolarHBondContact O-CG 3.03Å; T1237-L1241 PolarHBondContact O-N 2.8Å; T1238-L1241 CarbonylContact O-C 3.53Å; T1238-L1241 PolarHBondContact O-N 2.85Å; L1241-Q1244 HydrophobicContact CD2-CB 4.49Å; L1241-Q1244 CarbonylContact O-C 3.46Å; L1241-Q1244 PolarHBondContact O-N 2.85Å; L1241-I1245 HydrophobicContact CB-CD1 4.49Å; L1241-I1245 WeakPolarHBondContact O-CA 3.23Å; L1241-I1245 WeakPolarHBondContact O-CB 3.19Å; L1241-I1245 WeakPolarHBondContact O-CD1 3.47Å; L1241-I1245 WeakPolarHBondContact O-CG1 3.12Å; L1241-I1245 PolarHBondContact O-N 2.88Å |
| 1242 | Q | 64.3 | Low | 63.4 | Low | 129 Ų | 129 | 91.1 Ų | 91.1 | 60% | 0.603 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -73.5 | -37.4 | 174.9 | -170.2 | 161.5 | -16.4 | 0 | 0 | 110 | T1238 D1239 A1240 Q1246 | T1238-Q1242 WeakPolarHBondContact O-CB 3.29Å; T1238-Q1242 PolarHBondContact O-N 2.7Å; D1239-Q1242 PolarHBondContact O-N 2.67Å; A1240-Q1242 VanDerWaalsContact C-N 3.3Å; A1240-Q1242 PolarHBondContact O-N 2.7Å; Q1242-Q1246 PolarHBondContact O-N 3.43Å |
| 1243 | K | 70.6 | Confident | 62.8 | Low | 129 Ų | 129 | 98 Ų | 98 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.4 | -38 | 165.8 | -69.2 | 157.8 | -175.6 | 151.1 | 0 | 112 | D1239 A1240 Q1246 S1247 | D1239-K1243 WeakPolarHBondContact O-CD 3.4Å; D1239-K1243 PolarHBondContact O-N 2.85Å; D1239-K1243 IonicContact OD2-NZ 3.96Å; D1239-K1243 PolarHBondContact OD2-NZ 2.76Å; A1240-K1243 CarbonylContact O-C 3.47Å; A1240-K1243 PolarHBondContact O-N 2.85Å; K1243-Q1246 WeakPolarHBondContact O-CB 3.41Å; K1243-Q1246 PolarHBondContact O-N 2.95Å; K1243-S1247 PolarHBondContact O-N 2.93Å |
| 1244 | Q | 62.2 | Low | 61.9 | Low | 91 Ų | 91 | 97.5 Ų | 97.5 | 43% | 0.425 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -79.9 | -13 | 177.8 | -153.1 | 174.1 | 32.6 | 0 | 0 | 113.1 | A1240 L1241 S1247 L1248 | A1240-Q1244 VanDerWaalsContact O-CB 3.28Å; A1240-Q1244 WeakPolarHBondContact O-CB 3.29Å; A1240-Q1244 PolarHBondContact O-N 2.81Å; L1241-Q1244 HydrophobicContact CD2-CB 4.49Å; L1241-Q1244 CarbonylContact O-C 3.46Å; L1241-Q1244 PolarHBondContact O-N 2.85Å; Q1244-S1247 CarbonylContact O-C 3.5Å; Q1244-S1247 PolarHBondContact O-N 3.39Å; Q1244-S1247 PolarHBondContact O-OG 3.38Å; Q1244-L1248 HydrophobicContact CG-CD1 4.23Å; Q1244-L1248 WeakPolarHBondContact O-CA 2.97Å; Q1244-L1248 WeakPolarHBondContact O-CB 2.99Å; Q1244-L1248 VanDerWaalsContact O-CD1 3.25Å; Q1244-L1248 WeakPolarHBondContact O-CD1 3.12Å; Q1244-L1248 WeakPolarHBondContact O-CG 2.74Å; Q1244-L1248 PolarHBondContact O-N 2.97Å |
| 1245 | I | 57.5 | Low | 61.7 | Low | 95 Ų | 95 | 96.7 Ų | 96.7 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -85.5 | -29.1 | 170 | -77.7 | 162.7 | 0 | 0 | 0 | 109.4 | L1241 S1247 K1249 | L1241-I1245 HydrophobicContact CB-CD1 4.49Å; L1241-I1245 WeakPolarHBondContact O-CA 3.23Å; L1241-I1245 WeakPolarHBondContact O-CB 3.19Å; L1241-I1245 WeakPolarHBondContact O-CD1 3.47Å; L1241-I1245 WeakPolarHBondContact O-CG1 3.12Å; L1241-I1245 PolarHBondContact O-N 2.88Å; I1245-S1247 VanDerWaalsContact C-N 3.33Å; I1245-K1249 WeakPolarHBondContact O-CG 3.16Å; I1245-K1249 PolarHBondContact O-N 3.19Å; I1245-K1249 VanDerWaalsContact O-N 3.09Å |
| 1246 | Q | 66.3 | Low | 61.1 | Low | 147 Ų | 147 | 98.7 Ų | 98.7 | 69% | 0.687 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -38.7 | 160.4 | -70.7 | -177 | -21.9 | 0 | 0 | 111.4 | Q1242 K1243 | Q1242-Q1246 PolarHBondContact O-N 3.43Å; K1243-Q1246 WeakPolarHBondContact O-CB 3.41Å; K1243-Q1246 PolarHBondContact O-N 2.95Å |
| 1247 | S | 66.5 | Low | 60.5 | Low | 34 Ų | 34 | 104.5 Ų | 104.5 | 24% | 0.238 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -75.6 | -37.8 | 173 | 98.8 | 0 | 0 | 0 | 0 | 113.8 | K1243 Q1244 I1245 K1249 Q1250 D1251 | K1243-S1247 PolarHBondContact O-N 2.93Å; Q1244-S1247 CarbonylContact O-C 3.5Å; Q1244-S1247 PolarHBondContact O-N 3.39Å; Q1244-S1247 PolarHBondContact O-OG 3.38Å; I1245-S1247 VanDerWaalsContact C-N 3.33Å; S1247-K1249 PolarHBondContact O-N 3.38Å; S1247-Q1250 CarbonylContact O-C 3.34Å; S1247-Q1250 VanDerWaalsContact O-CA 3.26Å; S1247-Q1250 WeakPolarHBondContact O-CA 2.83Å; S1247-Q1250 VanDerWaalsContact O-CB 3.25Å; S1247-Q1250 WeakPolarHBondContact O-CB 3.16Å; S1247-Q1250 PolarHBondContact O-N 3Å; S1247-D1251 PolarHBondContact O-N 2.98Å; S1247-D1251 PolarHBondContact OG-OD2 2.85Å |
| 1248 | L | 52.8 | Low | 60.2 | Low | 63 Ų | 63 | 107.4 Ų | 107.4 | 33% | 0.33 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71 | -15.4 | 178.3 | -76 | 156.1 | 0 | 0 | 0 | 112.6 | Q1244 Q1250 D1251 K1252 | Q1244-L1248 HydrophobicContact CG-CD1 4.23Å; Q1244-L1248 WeakPolarHBondContact O-CA 2.97Å; Q1244-L1248 WeakPolarHBondContact O-CB 2.99Å; Q1244-L1248 VanDerWaalsContact O-CD1 3.25Å; Q1244-L1248 WeakPolarHBondContact O-CD1 3.12Å; Q1244-L1248 WeakPolarHBondContact O-CG 2.74Å; Q1244-L1248 PolarHBondContact O-N 2.97Å; L1248-Q1250 PolarHBondContact O-N 3.23Å; L1248-D1251 HydrophobicContact CD2-CB 4.04Å; L1248-K1252 PolarHBondContact O-N 3.18Å |
| 1249 | K | 61.1 | Low | 60 | Low | 178 Ų | 178 | 111 Ų | 111 | 77% | 0.774 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.8 | 161.2 | -82.6 | -174.7 | 174.3 | -174.2 | 0 | 113.2 | I1245 S1247 | I1245-K1249 WeakPolarHBondContact O-CG 3.16Å; I1245-K1249 PolarHBondContact O-N 3.19Å; I1245-K1249 VanDerWaalsContact O-N 3.09Å; S1247-K1249 PolarHBondContact O-N 3.38Å |
| 1250 | Q | 63.1 | Low | 59.7 | Low | 149 Ų | 149 | 116 Ų | 116 | 70% | 0.696 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -48.1 | 164.7 | -55.4 | 180 | -71 | 0 | 0 | 111.1 | S1247 L1248 K1252 M1253 | S1247-Q1250 CarbonylContact O-C 3.34Å; S1247-Q1250 VanDerWaalsContact O-CA 3.26Å; S1247-Q1250 WeakPolarHBondContact O-CA 2.83Å; S1247-Q1250 VanDerWaalsContact O-CB 3.25Å; S1247-Q1250 WeakPolarHBondContact O-CB 3.16Å; S1247-Q1250 PolarHBondContact O-N 3Å; L1248-Q1250 PolarHBondContact O-N 3.23Å; Q1250-K1252 PolarHBondContact O-N 3.34Å; Q1250-M1253 PolarHBondContact O-N 2.67Å |
| 1251 | D | 49.5 | Very low | 59.1 | Low | 60 Ų | 60 | 120 Ų | 120 | 32% | 0.321 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -72.1 | 11.7 | -178.7 | -49.2 | -47.4 | 0 | 0 | 0 | 113.8 | S1247 L1248 M1253 E1254 | S1247-D1251 PolarHBondContact O-N 2.98Å; S1247-D1251 PolarHBondContact OG-OD2 2.85Å; L1248-D1251 HydrophobicContact CD2-CB 4.04Å; D1251-M1253 PolarHBondContact O-N 2.8Å; D1251-E1254 PolarHBondContact O-N 2.84Å |
| 1252 | K | 53.9 | Low | 59.1 | Low | 157 Ų | 157 | 121 Ų | 121 | 68% | 0.683 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -48.8 | -22.4 | 155.8 | -171.7 | 174.9 | 179.6 | 178.4 | 0 | 111.8 | L1248 Q1250 I1255 | L1248-K1252 PolarHBondContact O-N 3.18Å; Q1250-K1252 PolarHBondContact O-N 3.34Å; K1252-I1255 HydrophobicContact CB-CD1 4.34Å; K1252-I1255 HydrophobicContact CG-CD1 3.94Å |
| 1253 | M | 58.3 | Low | 58.8 | Low | 182 Ų | 182 | 119.4 Ų | 119.4 | 90% | 0.897 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -77.2 | -14.1 | 172.4 | -59.2 | -173.6 | 73.9 | 0 | 0 | 115.5 | Q1250 D1251 | Q1250-M1253 PolarHBondContact O-N 2.67Å; D1251-M1253 PolarHBondContact O-N 2.8Å |
| 1254 | E | 48.7 | Very low | 58.7 | Low | 74 Ų | 74 | 119.9 Ų | 119.9 | 35% | 0.346 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -93.9 | -8 | 174.6 | -89.3 | -132.1 | 128.1 | 0 | 0 | 114.1 | D1251 D1256 K1257 R1258 | D1251-E1254 PolarHBondContact O-N 2.84Å; E1254-D1256 VanDerWaalsContact C-N 3.34Å; E1254-D1256 PolarHBondContact O-N 3.41Å; E1254-K1257 WeakPolarHBondContact O-CB 2.84Å; E1254-K1257 PolarHBondContact O-N 2.66Å; E1254-R1258 PolarHBondContact O-N 2.91Å; E1254-R1258 IonicContact OE2-CZ 2.72Å; E1254-R1258 IonicContact OE2-NE 4Å; E1254-R1258 PolarHBondContact OE2-NE 3.46Å; E1254-R1258 IonicContact OE2-NH2 3.81Å; E1254-R1258 PolarHBondContact OE2-NH2 3.04Å |
| 1255 | I | 54.4 | Low | 58.6 | Low | 104 Ų | 104 | 122.4 Ų | 122.4 | 53% | 0.533 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -51.9 | -46.4 | -170 | -73.6 | 178.5 | 0 | 0 | 0 | 113 | K1252 K1257 R1258 R1259 | K1252-I1255 HydrophobicContact CB-CD1 4.34Å; K1252-I1255 HydrophobicContact CG-CD1 3.94Å; I1255-K1257 PolarHBondContact O-N 3.34Å; I1255-K1257 VanDerWaalsContact O-N 3.14Å; I1255-R1258 PolarHBondContact O-N 2.69Å; I1255-R1259 PolarHBondContact O-N 3.46Å |
| 1256 | D | 55.4 | Low | 58.6 | Low | 110 Ų | 110 | 122.7 Ų | 122.7 | 59% | 0.588 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.9 | -16 | -179.8 | -90.4 | -50.9 | 0 | 0 | 0 | 114.6 | E1254 R1259 | E1254-D1256 VanDerWaalsContact C-N 3.34Å; E1254-D1256 PolarHBondContact O-N 3.41Å; D1256-R1259 WeakPolarHBondContact O-CB 3.38Å; D1256-R1259 IonicContact OD1-CZ 2.89Å; D1256-R1259 IonicContact OD1-NH1 3.3Å; D1256-R1259 PolarHBondContact OD1-NH1 3.12Å |
| 1257 | K | 59.3 | Low | 58.8 | Low | 159 Ų | 159 | 120.6 Ų | 120.6 | 69% | 0.691 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -89.7 | -39.7 | -178.2 | -152.3 | 176.3 | -177.5 | -174.1 | 0 | 112.1 | E1254 I1255 R1259 | E1254-K1257 WeakPolarHBondContact O-CB 2.84Å; E1254-K1257 PolarHBondContact O-N 2.66Å; I1255-K1257 PolarHBondContact O-N 3.34Å; I1255-K1257 VanDerWaalsContact O-N 3.14Å; K1257-R1259 VanDerWaalsContact C-N 3.26Å; K1257-R1259 PolarHBondContact O-N 2.83Å |
| 1258 | R | 59.3 | Low | 58.7 | Low | 116 Ų | 116 | 126.1 Ų | 126.1 | 44% | 0.438 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.2 | -21.4 | 174 | -62.9 | -171.9 | -166.2 | -178.7 | 7.7 | 112.6 | E1254 I1255 R1260 Q1261 V1262 | E1254-R1258 PolarHBondContact O-N 2.91Å; E1254-R1258 IonicContact OE2-CZ 2.72Å; E1254-R1258 IonicContact OE2-NE 4Å; E1254-R1258 PolarHBondContact OE2-NE 3.46Å; E1254-R1258 IonicContact OE2-NH2 3.81Å; E1254-R1258 PolarHBondContact OE2-NH2 3.04Å; I1255-R1258 PolarHBondContact O-N 2.69Å; R1258-R1260 PolarHBondContact O-N 3.2Å; R1258-R1260 VanDerWaalsContact O-N 3.08Å; R1258-Q1261 PolarHBondContact O-N 2.9Å; R1258-V1262 PolarHBondContact O-N 2.73Å; R1258-V1262 VanDerWaalsContact O-N 3.09Å |
| 1259 | R | 58.6 | Low | 58.9 | Low | 143 Ų | 143 | 126.6 Ų | 126.6 | 54% | 0.54 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -44.4 | -39.1 | 169.7 | -144.5 | 177.9 | 87 | -171.3 | 16.4 | 113.2 | I1255 D1256 K1257 V1262 E1263 | I1255-R1259 PolarHBondContact O-N 3.46Å; D1256-R1259 WeakPolarHBondContact O-CB 3.38Å; D1256-R1259 IonicContact OD1-CZ 2.89Å; D1256-R1259 IonicContact OD1-NH1 3.3Å; D1256-R1259 PolarHBondContact OD1-NH1 3.12Å; K1257-R1259 VanDerWaalsContact C-N 3.26Å; K1257-R1259 PolarHBondContact O-N 2.83Å; R1259-V1262 WeakPolarHBondContact O-CB 3.48Å; R1259-V1262 PolarHBondContact O-N 3.37Å; R1259-E1263 IonicContact NE-OE1 3.64Å; R1259-E1263 WeakPolarHBondContact O-CG 3.4Å; R1259-E1263 PolarHBondContact O-N 3.08Å |
| 1260 | R | 61.5 | Low | 59.1 | Low | 190 Ų | 190 | 120.8 Ų | 120.8 | 72% | 0.717 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -77.7 | -20.2 | 178.9 | -65.8 | -173.5 | 176.2 | 169.3 | 1.2 | 115.6 | R1258 E1263 | R1258-R1260 PolarHBondContact O-N 3.2Å; R1258-R1260 VanDerWaalsContact O-N 3.08Å; R1260-E1263 WeakPolarHBondContact CG-OE2 3.16Å |
| 1261 | Q | 60.6 | Low | 59.4 | Low | 135 Ų | 135 | 117.7 Ų | 117.7 | 63% | 0.631 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -82.1 | -33.1 | 169 | -81.7 | -176.2 | -50.3 | 0 | 0 | 111.1 | R1258 E1263 Q1264 Q1265 | R1258-Q1261 PolarHBondContact O-N 2.9Å; Q1261-E1263 VanDerWaalsContact C-N 3.31Å; Q1261-Q1264 PolarHBondContact O-N 3.4Å; Q1261-Q1265 PolarHBondContact O-N 3.43Å |
| 1262 | V | 56.6 | Low | 60 | Low | 95 Ų | 95 | 121.1 Ų | 121.1 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60 | -43.4 | 167.7 | 179.7 | 0 | 0 | 0 | 0 | 110 | R1258 R1259 Q1264 Q1265 L1266 | R1258-V1262 PolarHBondContact O-N 2.73Å; R1258-V1262 VanDerWaalsContact O-N 3.09Å; R1259-V1262 WeakPolarHBondContact O-CB 3.48Å; R1259-V1262 PolarHBondContact O-N 3.37Å; V1262-Q1264 PolarHBondContact O-N 3.16Å; V1262-Q1264 VanDerWaalsContact O-N 3.14Å; V1262-Q1265 PolarHBondContact O-N 3.38Å; V1262-L1266 WeakPolarHBondContact O-CB 3.27Å; V1262-L1266 PolarHBondContact O-N 3.47Å |
| 1263 | E | 59.8 | Low | 60.2 | Low | 96 Ų | 96 | 117.8 Ų | 117.8 | 45% | 0.449 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.1 | -20.6 | 172.4 | -72.2 | 162.9 | -173.8 | 0 | 0 | 114.3 | R1259 R1260 Q1261 | R1259-E1263 IonicContact NE-OE1 3.64Å; R1259-E1263 WeakPolarHBondContact O-CG 3.4Å; R1259-E1263 PolarHBondContact O-N 3.08Å; R1260-E1263 WeakPolarHBondContact CG-OE2 3.16Å; Q1261-E1263 VanDerWaalsContact C-N 3.31Å |
| 1264 | Q | 68.4 | Low | 60.9 | Low | 140 Ų | 140 | 114.5 Ų | 114.5 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -97 | -37.3 | 178 | -163 | 169.7 | 10.1 | 0 | 0 | 113.1 | Q1261 V1262 L1266 N1267 E1268 | Q1261-Q1264 PolarHBondContact O-N 3.4Å; V1262-Q1264 PolarHBondContact O-N 3.16Å; V1262-Q1264 VanDerWaalsContact O-N 3.14Å; Q1264-L1266 PolarHBondContact O-N 3.22Å; Q1264-N1267 VanDerWaalsContact O-CB 3.31Å; Q1264-N1267 WeakPolarHBondContact O-CB 3.19Å; Q1264-N1267 PolarHBondContact O-N 3.07Å; Q1264-E1268 PolarHBondContact O-N 3.39Å |
| 1265 | Q | 59.4 | Low | 61.8 | Low | 143 Ų | 143 | 116.4 Ų | 116.4 | 67% | 0.668 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66 | -29.6 | 166.2 | -77.1 | -171.5 | -39 | 0 | 0 | 111.8 | Q1261 V1262 N1267 E1268 S1269 | Q1261-Q1265 PolarHBondContact O-N 3.43Å; V1262-Q1265 PolarHBondContact O-N 3.38Å; Q1265-N1267 PolarHBondContact O-N 3.23Å; Q1265-E1268 PolarHBondContact O-N 3.07Å; Q1265-S1269 WeakPolarHBondContact O-CA 3.29Å; Q1265-S1269 WeakPolarHBondContact O-CB 3.36Å; Q1265-S1269 PolarHBondContact O-N 3.03Å |
| 1266 | L | 56.9 | Low | 62 | Low | 102 Ų | 102 | 115.2 Ų | 115.2 | 53% | 0.534 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -56.8 | -28 | 167.5 | -178.5 | 66.5 | 0 | 0 | 0 | 111.7 | V1262 Q1264 S1269 L1270 | V1262-L1266 WeakPolarHBondContact O-CB 3.27Å; V1262-L1266 PolarHBondContact O-N 3.47Å; Q1264-L1266 PolarHBondContact O-N 3.22Å; L1266-S1269 CarbonylContact O-C 3.48Å; L1266-L1270 WeakPolarHBondContact O-CA 3.27Å; L1266-L1270 WeakPolarHBondContact O-CB 3.38Å; L1266-L1270 PolarHBondContact O-N 2.7Å |
| 1267 | N | 70 | Confident | 62.4 | Low | 103 Ų | 103 | 112.8 Ų | 112.8 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -82.8 | -40 | -178.2 | -126.2 | 16 | 0 | 0 | 0 | 113 | Q1264 Q1265 L1270 V1271 | Q1264-N1267 VanDerWaalsContact O-CB 3.31Å; Q1264-N1267 WeakPolarHBondContact O-CB 3.19Å; Q1264-N1267 PolarHBondContact O-N 3.07Å; Q1265-N1267 PolarHBondContact O-N 3.23Å; N1267-L1270 WeakPolarHBondContact O-CA 3.47Å; N1267-L1270 WeakPolarHBondContact O-CB 3.27Å; N1267-L1270 PolarHBondContact O-N 3.07Å; N1267-L1270 VanDerWaalsContact O-N 3.13Å; N1267-V1271 PolarHBondContact O-N 3.48Å; N1267-V1271 VanDerWaalsContact O-N 3.15Å |
| 1268 | E | 65.7 | Low | 63 | Low | 150 Ų | 150 | 111.3 Ų | 111.3 | 70% | 0.701 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -73.2 | -35.4 | 169.3 | -72.1 | -174.9 | 151.4 | 0 | 0 | 111.6 | Q1264 Q1265 L1270 V1271 K1272 | Q1264-E1268 PolarHBondContact O-N 3.39Å; Q1265-E1268 PolarHBondContact O-N 3.07Å; E1268-L1270 PolarHBondContact O-N 2.7Å; E1268-V1271 PolarHBondContact O-N 2.75Å; E1268-V1271 VanDerWaalsContact O-N 3.13Å; E1268-K1272 PolarHBondContact O-N 2.86Å |
| 1269 | S | 55.9 | Low | 63.2 | Low | 72 Ų | 72 | 112 Ų | 112 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.1 | -17.2 | 165.7 | -166.8 | 0 | 0 | 0 | 0 | 112.2 | Q1265 L1266 M1273 | Q1265-S1269 WeakPolarHBondContact O-CA 3.29Å; Q1265-S1269 WeakPolarHBondContact O-CB 3.36Å; Q1265-S1269 PolarHBondContact O-N 3.03Å; L1266-S1269 CarbonylContact O-C 3.48Å; S1269-M1273 WeakPolarHBondContact O-CA 3.49Å; S1269-M1273 WeakPolarHBondContact O-CB 3.39Å; S1269-M1273 PolarHBondContact O-N 3.21Å |
| 1270 | L | 66 | Low | 63.3 | Low | 57 Ų | 57 | 110.4 Ų | 110.4 | 30% | 0.298 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -78.9 | -31.5 | 170.3 | -120 | 152.8 | 0 | 0 | 0 | 111.3 | L1266 N1267 E1268 M1273 Q1274 | L1266-L1270 WeakPolarHBondContact O-CA 3.27Å; L1266-L1270 WeakPolarHBondContact O-CB 3.38Å; L1266-L1270 PolarHBondContact O-N 2.7Å; N1267-L1270 WeakPolarHBondContact O-CA 3.47Å; N1267-L1270 WeakPolarHBondContact O-CB 3.27Å; N1267-L1270 PolarHBondContact O-N 3.07Å; N1267-L1270 VanDerWaalsContact O-N 3.13Å; E1268-L1270 PolarHBondContact O-N 2.7Å; L1270-M1273 HydrophobicContact CD2-CE 3.6Å; L1270-M1273 HydrophobicContact CG-CE 3.93Å; L1270-M1273 CarbonylContact O-C 3.39Å; L1270-M1273 PolarHBondContact O-N 3.42Å; L1270-Q1274 WeakPolarHBondContact O-CB 3.45Å; L1270-Q1274 WeakPolarHBondContact O-CG 3.41Å; L1270-Q1274 PolarHBondContact O-N 3.14Å |
| 1271 | V | 69.6 | Low | 63.8 | Low | 84 Ų | 84 | 105.8 Ų | 105.8 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76 | -41.2 | 171.6 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | N1267 E1268 M1273 Q1274 E1275 | N1267-V1271 PolarHBondContact O-N 3.48Å; N1267-V1271 VanDerWaalsContact O-N 3.15Å; E1268-V1271 PolarHBondContact O-N 2.75Å; E1268-V1271 VanDerWaalsContact O-N 3.13Å; V1271-M1273 VanDerWaalsContact C-N 3.27Å; V1271-M1273 PolarHBondContact O-N 2.67Å; V1271-Q1274 CarbonylContact O-C 3.57Å; V1271-Q1274 WeakPolarHBondContact O-CA 3.37Å; V1271-Q1274 WeakPolarHBondContact O-CB 3.28Å; V1271-Q1274 PolarHBondContact O-N 3.42Å; V1271-E1275 PolarHBondContact O-N 3.25Å |
| 1272 | K | 61.2 | Low | 64.3 | Low | 131 Ų | 131 | 102.7 Ų | 102.7 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.4 | -30.3 | 166.5 | -80.4 | -158 | 170.8 | -164.8 | 0 | 112.2 | E1268 Q1274 T1276 | E1268-K1272 PolarHBondContact O-N 2.86Å; K1272-Q1274 VanDerWaalsContact C-N 3.29Å; K1272-T1276 WeakPolarHBondContact O-CB 3.46Å; K1272-T1276 WeakPolarHBondContact O-CG2 3.22Å; K1272-T1276 PolarHBondContact O-N 3.44Å; K1272-T1276 PolarHBondContact O-OG1 3.27Å |
| 1273 | M | 59 | Low | 64.5 | Low | 87 Ų | 87 | 103.6 Ų | 103.6 | 43% | 0.429 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.6 | -16.3 | 166.9 | -169.4 | -179.2 | 81.5 | 0 | 0 | 112.1 | S1269 L1270 V1271 T1276 E1277 | S1269-M1273 WeakPolarHBondContact O-CA 3.49Å; S1269-M1273 WeakPolarHBondContact O-CB 3.39Å; S1269-M1273 PolarHBondContact O-N 3.21Å; L1270-M1273 HydrophobicContact CD2-CE 3.6Å; L1270-M1273 HydrophobicContact CG-CE 3.93Å; L1270-M1273 CarbonylContact O-C 3.39Å; L1270-M1273 PolarHBondContact O-N 3.42Å; V1271-M1273 VanDerWaalsContact C-N 3.27Å; V1271-M1273 PolarHBondContact O-N 2.67Å; M1273-T1276 WeakPolarHBondContact CA-OG1 3.34Å; M1273-T1276 CarbonylContact O-C 3.39Å; M1273-E1277 HydrophobicContact CG-CG 4.36Å; M1273-E1277 VanDerWaalsContact O-CA 3.27Å; M1273-E1277 WeakPolarHBondContact O-CA 3.06Å; M1273-E1277 WeakPolarHBondContact O-CB 3.49Å; M1273-E1277 WeakPolarHBondContact O-CG 3.27Å; M1273-E1277 PolarHBondContact O-N 2.73Å |
| 1274 | Q | 72.5 | Confident | 64.8 | Low | 113 Ų | 113 | 102.1 Ų | 102.1 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -85.2 | -31.8 | 170.1 | -83.5 | -178.8 | -10.6 | 0 | 0 | 112.3 | L1270 V1271 K1272 E1277 M1278 | L1270-Q1274 WeakPolarHBondContact O-CB 3.45Å; L1270-Q1274 WeakPolarHBondContact O-CG 3.41Å; L1270-Q1274 PolarHBondContact O-N 3.14Å; V1271-Q1274 CarbonylContact O-C 3.57Å; V1271-Q1274 WeakPolarHBondContact O-CA 3.37Å; V1271-Q1274 WeakPolarHBondContact O-CB 3.28Å; V1271-Q1274 PolarHBondContact O-N 3.42Å; K1272-Q1274 VanDerWaalsContact C-N 3.29Å; Q1274-E1277 CarbonylContact O-C 3.52Å; Q1274-E1277 PolarHBondContact O-N 3.43Å; Q1274-M1278 WeakPolarHBondContact O-CG 3.36Å; Q1274-M1278 PolarHBondContact O-N 2.99Å |
| 1275 | E | 67.8 | Low | 65 | Low | 115 Ų | 115 | 97.5 Ų | 97.5 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -77.6 | -38.1 | 169 | -71.1 | -167.8 | 135.2 | 0 | 0 | 111.9 | V1271 M1278 Q1279 | V1271-E1275 PolarHBondContact O-N 3.25Å; E1275-M1278 HydrophobicContact CG-CE 4.35Å; E1275-M1278 CarbonylContact O-C 3.44Å; E1275-M1278 PolarHBondContact O-N 2.84Å; E1275-Q1279 WeakPolarHBondContact O-CB 3.41Å; E1275-Q1279 WeakPolarHBondContact O-CG 3.49Å; E1275-Q1279 PolarHBondContact O-N 2.91Å |
| 1276 | T | 58 | Low | 65.3 | Low | 79 Ų | 79 | 98.3 Ų | 98.3 | 49% | 0.485 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -78.1 | -3.7 | 163.9 | 71.3 | 0 | 0 | 0 | 0 | 112.8 | K1272 M1273 R1280 | K1272-T1276 WeakPolarHBondContact O-CB 3.46Å; K1272-T1276 WeakPolarHBondContact O-CG2 3.22Å; K1272-T1276 PolarHBondContact O-N 3.44Å; K1272-T1276 PolarHBondContact O-OG1 3.27Å; M1273-T1276 WeakPolarHBondContact CA-OG1 3.34Å; M1273-T1276 CarbonylContact O-C 3.39Å; T1276-R1280 VanDerWaalsContact O-CA 3.29Å; T1276-R1280 WeakPolarHBondContact O-CA 3.43Å; T1276-R1280 WeakPolarHBondContact O-CB 3.14Å; T1276-R1280 PolarHBondContact O-N 3.11Å |
| 1277 | E | 63.8 | Low | 65.4 | Low | 59 Ų | 59 | 97.6 Ų | 97.6 | 28% | 0.276 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -91.7 | -18.2 | 158 | -84.8 | -172.4 | 131.1 | 0 | 0 | 112.6 | M1273 Q1274 R1280 N1281 | M1273-E1277 HydrophobicContact CG-CG 4.36Å; M1273-E1277 VanDerWaalsContact O-CA 3.27Å; M1273-E1277 WeakPolarHBondContact O-CA 3.06Å; M1273-E1277 WeakPolarHBondContact O-CB 3.49Å; M1273-E1277 WeakPolarHBondContact O-CG 3.27Å; M1273-E1277 PolarHBondContact O-N 2.73Å; Q1274-E1277 CarbonylContact O-C 3.52Å; Q1274-E1277 PolarHBondContact O-N 3.43Å; E1277-R1280 IonicContact OE1-CZ 3.93Å; E1277-R1280 IonicContact OE1-NE 3.43Å; E1277-R1280 IonicContact OE1-NH2 2.83Å; E1277-R1280 PolarHBondContact OE1-NH2 2.88Å; E1277-N1281 WeakPolarHBondContact O-CA 3.33Å; E1277-N1281 WeakPolarHBondContact O-CB 3.11Å; E1277-N1281 PolarHBondContact O-N 3.23Å; E1277-N1281 PolarHBondContact O-ND2 2.75Å |
| 1278 | M | 72.4 | Confident | 65.4 | Low | 127 Ų | 127 | 95.7 Ų | 95.7 | 63% | 0.626 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -80.2 | -35.9 | 164.5 | -76 | -163.4 | -60.5 | 0 | 0 | 110.6 | Q1274 E1275 D1282 | Q1274-M1278 WeakPolarHBondContact O-CG 3.36Å; Q1274-M1278 PolarHBondContact O-N 2.99Å; E1275-M1278 HydrophobicContact CG-CE 4.35Å; E1275-M1278 CarbonylContact O-C 3.44Å; E1275-M1278 PolarHBondContact O-N 2.84Å; M1278-D1282 VanDerWaalsContact O-CB 3.28Å; M1278-D1282 WeakPolarHBondContact O-CB 3.26Å; M1278-D1282 PolarHBondContact O-N 3.07Å |
| 1279 | Q | 64.6 | Low | 65.6 | Low | 131 Ų | 131 | 94.8 Ų | 94.8 | 61% | 0.612 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -77.3 | -29.8 | 169.5 | -65.4 | -176.8 | 3.7 | 0 | 0 | 112 | E1275 L1283 | E1275-Q1279 WeakPolarHBondContact O-CB 3.41Å; E1275-Q1279 WeakPolarHBondContact O-CG 3.49Å; E1275-Q1279 PolarHBondContact O-N 2.91Å; Q1279-L1283 WeakPolarHBondContact O-CA 3.37Å; Q1279-L1283 WeakPolarHBondContact O-CB 3.46Å; Q1279-L1283 WeakPolarHBondContact O-CG 3.04Å; Q1279-L1283 PolarHBondContact O-N 3.4Å |
| 1280 | R | 60.5 | Low | 65.8 | Low | 109 Ų | 109 | 92.9 Ų | 92.9 | 41% | 0.411 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.3 | -47.4 | 163.9 | -173.4 | 180 | 76.2 | 77.8 | 8 | 109.4 | T1276 E1277 D1282 L1283 E1284 | T1276-R1280 VanDerWaalsContact O-CA 3.29Å; T1276-R1280 WeakPolarHBondContact O-CA 3.43Å; T1276-R1280 WeakPolarHBondContact O-CB 3.14Å; T1276-R1280 PolarHBondContact O-N 3.11Å; E1277-R1280 IonicContact OE1-CZ 3.93Å; E1277-R1280 IonicContact OE1-NE 3.43Å; E1277-R1280 IonicContact OE1-NH2 2.83Å; E1277-R1280 PolarHBondContact OE1-NH2 2.88Å; R1280-D1282 VanDerWaalsContact C-N 3.28Å; R1280-D1282 PolarHBondContact O-N 2.72Å; R1280-L1283 CarbonylContact O-C 3.59Å; R1280-L1283 VanDerWaalsContact O-C 3.28Å; R1280-L1283 WeakPolarHBondContact O-CA 2.96Å; R1280-L1283 PolarHBondContact O-N 2.98Å; R1280-L1283 VanDerWaalsContact O-N 3.14Å; R1280-E1284 HydrophobicContact CG-CB 4.5Å; R1280-E1284 IonicContact CZ-OE1 3.92Å; R1280-E1284 IonicContact CZ-OE2 3.88Å; R1280-E1284 VanDerWaalsContact CZ-OE2 3.3Å; R1280-E1284 IonicContact NH1-OE1 2.83Å; R1280-E1284 PolarHBondContact NH1-OE1 3.42Å; R1280-E1284 IonicContact NH1-OE2 2.67Å; R1280-E1284 PolarHBondContact NH1-OE2 3.36Å; R1280-E1284 IonicContact NH2-OE2 3.14Å; R1280-E1284 VanDerWaalsContact O-CA 3.24Å; R1280-E1284 WeakPolarHBondContact O-CA 2.92Å; R1280-E1284 WeakPolarHBondContact O-CB 3.22Å; R1280-E1284 PolarHBondContact O-N 3.16Å |
| 1281 | N | 71.1 | Confident | 65.7 | Low | 94 Ų | 94 | 93.6 Ų | 93.6 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.1 | -22.5 | 175.9 | -81.4 | -69.7 | 0 | 0 | 0 | 114 | E1277 E1284 S1285 | E1277-N1281 WeakPolarHBondContact O-CA 3.33Å; E1277-N1281 WeakPolarHBondContact O-CB 3.11Å; E1277-N1281 PolarHBondContact O-N 3.23Å; E1277-N1281 PolarHBondContact O-ND2 2.75Å; N1281-E1284 CarbonylContact O-C 3.55Å; N1281-S1285 WeakPolarHBondContact O-CA 3.09Å; N1281-S1285 WeakPolarHBondContact O-CB 3Å; N1281-S1285 PolarHBondContact O-N 2.85Å |
| 1282 | D | 71.4 | Confident | 65.8 | Low | 70 Ų | 70 | 94.5 Ų | 94.5 | 37% | 0.374 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -89.3 | -32.3 | 169.7 | -170.4 | 59.8 | 0 | 0 | 0 | 111.7 | M1278 R1280 E1284 S1285 R1286 | M1278-D1282 VanDerWaalsContact O-CB 3.28Å; M1278-D1282 WeakPolarHBondContact O-CB 3.26Å; M1278-D1282 PolarHBondContact O-N 3.07Å; R1280-D1282 VanDerWaalsContact C-N 3.28Å; R1280-D1282 PolarHBondContact O-N 2.72Å; D1282-E1284 PolarHBondContact O-N 2.89Å; D1282-S1285 CarbonylContact O-C 3.51Å; D1282-S1285 PolarHBondContact O-N 3.01Å; D1282-R1286 WeakPolarHBondContact O-CB 3.4Å; D1282-R1286 WeakPolarHBondContact O-CG 3.05Å; D1282-R1286 PolarHBondContact O-N 2.95Å; D1282-R1286 IonicContact OD1-NE 2.68Å; D1282-R1286 IonicContact OD2-CZ 2.59Å; D1282-R1286 IonicContact OD2-NE 2.75Å; D1282-R1286 PolarHBondContact OD2-NE 2.99Å; D1282-R1286 IonicContact OD2-NH2 3.7Å; D1282-R1286 PolarHBondContact OD2-NH2 3.45Å |
| 1283 | L | 60.6 | Low | 66.1 | Low | 113 Ų | 113 | 94.3 Ų | 94.3 | 59% | 0.592 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -71.9 | -14.7 | 165.1 | -74.1 | 169.2 | 0 | 0 | 0 | 112.7 | Q1279 R1280 R1286 L1287 | Q1279-L1283 WeakPolarHBondContact O-CA 3.37Å; Q1279-L1283 WeakPolarHBondContact O-CB 3.46Å; Q1279-L1283 WeakPolarHBondContact O-CG 3.04Å; Q1279-L1283 PolarHBondContact O-N 3.4Å; R1280-L1283 CarbonylContact O-C 3.59Å; R1280-L1283 VanDerWaalsContact O-C 3.28Å; R1280-L1283 WeakPolarHBondContact O-CA 2.96Å; R1280-L1283 PolarHBondContact O-N 2.98Å; R1280-L1283 VanDerWaalsContact O-N 3.14Å; L1283-R1286 CarbonylContact O-C 3.6Å; L1283-L1287 VanDerWaalsContact O-CA 3.26Å; L1283-L1287 WeakPolarHBondContact O-CA 3.33Å; L1283-L1287 WeakPolarHBondContact O-CB 3.46Å; L1283-L1287 PolarHBondContact O-N 3Å |
| 1284 | E | 66.8 | Low | 66.1 | Low | 65 Ų | 65 | 93.6 Ų | 93.6 | 30% | 0.304 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -5 | 178.9 | -173.9 | 178.7 | -138.4 | 0 | 0 | 109.3 | R1280 N1281 D1282 T1288 | R1280-E1284 HydrophobicContact CG-CB 4.5Å; R1280-E1284 IonicContact CZ-OE1 3.92Å; R1280-E1284 IonicContact CZ-OE2 3.88Å; R1280-E1284 VanDerWaalsContact CZ-OE2 3.3Å; R1280-E1284 IonicContact NH1-OE1 2.83Å; R1280-E1284 PolarHBondContact NH1-OE1 3.42Å; R1280-E1284 IonicContact NH1-OE2 2.67Å; R1280-E1284 PolarHBondContact NH1-OE2 3.36Å; R1280-E1284 IonicContact NH2-OE2 3.14Å; R1280-E1284 VanDerWaalsContact O-CA 3.24Å; R1280-E1284 WeakPolarHBondContact O-CA 2.92Å; R1280-E1284 WeakPolarHBondContact O-CB 3.22Å; R1280-E1284 PolarHBondContact O-N 3.16Å; N1281-E1284 CarbonylContact O-C 3.55Å; D1282-E1284 PolarHBondContact O-N 2.89Å; E1284-T1288 HydrophobicContact CG-CG2 4.44Å; E1284-T1288 WeakPolarHBondContact O-CA 3.18Å; E1284-T1288 WeakPolarHBondContact O-CB 3.5Å; E1284-T1288 WeakPolarHBondContact O-CG2 3.41Å; E1284-T1288 PolarHBondContact O-N 3.22Å; E1284-T1288 PolarHBondContact O-OG1 3.42Å |
| 1285 | S | 71.4 | Confident | 65.9 | Low | 44 Ų | 44 | 93.6 Ų | 93.6 | 31% | 0.308 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -27.4 | 152.1 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | N1281 D1282 T1288 K1289 | N1281-S1285 WeakPolarHBondContact O-CA 3.09Å; N1281-S1285 WeakPolarHBondContact O-CB 3Å; N1281-S1285 PolarHBondContact O-N 2.85Å; D1282-S1285 CarbonylContact O-C 3.51Å; D1282-S1285 PolarHBondContact O-N 3.01Å; S1285-T1288 WeakPolarHBondContact CA-OG1 2.97Å; S1285-K1289 WeakPolarHBondContact O-CA 2.99Å; S1285-K1289 WeakPolarHBondContact O-CB 3.24Å; S1285-K1289 WeakPolarHBondContact O-CD 2.86Å; S1285-K1289 WeakPolarHBondContact O-CG 2.97Å; S1285-K1289 PolarHBondContact O-N 3Å |
| 1286 | R | 66.7 | Low | 66.1 | Low | 159 Ų | 159 | 89.5 Ų | 89.5 | 60% | 0.6 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -85.1 | -17.2 | 165.7 | -65.4 | 170.9 | -153.1 | -150.9 | 10.6 | 112.8 | D1282 L1283 A1290 | D1282-R1286 WeakPolarHBondContact O-CB 3.4Å; D1282-R1286 WeakPolarHBondContact O-CG 3.05Å; D1282-R1286 PolarHBondContact O-N 2.95Å; D1282-R1286 IonicContact OD1-NE 2.68Å; D1282-R1286 IonicContact OD2-CZ 2.59Å; D1282-R1286 IonicContact OD2-NE 2.75Å; D1282-R1286 PolarHBondContact OD2-NE 2.99Å; D1282-R1286 IonicContact OD2-NH2 3.7Å; D1282-R1286 PolarHBondContact OD2-NH2 3.45Å; L1283-R1286 CarbonylContact O-C 3.6Å; R1286-A1290 WeakPolarHBondContact O-CA 3.25Å; R1286-A1290 WeakPolarHBondContact O-CB 3.5Å; R1286-A1290 PolarHBondContact O-N 3.35Å |
| 1287 | L | 59.2 | Low | 66.2 | Low | 87 Ų | 87 | 90.9 Ų | 90.9 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -8.4 | 169.5 | -174.7 | 81.4 | 0 | 0 | 0 | 111.4 | L1283 L1291 | L1283-L1287 VanDerWaalsContact O-CA 3.26Å; L1283-L1287 WeakPolarHBondContact O-CA 3.33Å; L1283-L1287 WeakPolarHBondContact O-CB 3.46Å; L1283-L1287 PolarHBondContact O-N 3Å; L1287-L1291 HydrophobicContact CD1-CD1 4.44Å; L1287-L1291 HydrophobicContact CD1-CG 4.2Å; L1287-L1291 HydrophobicContact CD2-CD1 4.29Å; L1287-L1291 HydrophobicContact CG-CD1 3.82Å; L1287-L1291 HydrophobicContact CG-CG 3.99Å; L1287-L1291 VanDerWaalsContact O-CA 3.23Å; L1287-L1291 WeakPolarHBondContact O-CA 3.43Å; L1287-L1291 WeakPolarHBondContact O-CB 3.38Å; L1287-L1291 VanDerWaalsContact O-CD1 3.24Å; L1287-L1291 WeakPolarHBondContact O-CD1 3.4Å; L1287-L1291 WeakPolarHBondContact O-CG 3.33Å; L1287-L1291 PolarHBondContact O-N 3.45Å |
| 1288 | T | 68.8 | Low | 66.2 | Low | 64 Ų | 64 | 91 Ų | 91 | 39% | 0.393 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -9.6 | 150.8 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | E1284 S1285 N1292 | E1284-T1288 HydrophobicContact CG-CG2 4.44Å; E1284-T1288 WeakPolarHBondContact O-CA 3.18Å; E1284-T1288 WeakPolarHBondContact O-CB 3.5Å; E1284-T1288 WeakPolarHBondContact O-CG2 3.41Å; E1284-T1288 PolarHBondContact O-N 3.22Å; E1284-T1288 PolarHBondContact O-OG1 3.42Å; S1285-T1288 WeakPolarHBondContact CA-OG1 2.97Å; T1288-N1292 WeakPolarHBondContact O-CA 3.39Å; T1288-N1292 WeakPolarHBondContact O-CB 3.42Å; T1288-N1292 PolarHBondContact O-N 2.66Å; T1288-N1292 PolarHBondContact O-ND2 2.92Å; T1288-N1292 PolarHBondContact O-OD1 3.42Å |
| 1289 | K | 70.5 | Confident | 66.2 | Low | 130 Ų | 130 | 89.5 Ų | 89.5 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -46.2 | 154.7 | -78.7 | 170.2 | -177.5 | 170.8 | 0 | 110.3 | S1285 L1291 N1292 E1293 | S1285-K1289 WeakPolarHBondContact O-CA 2.99Å; S1285-K1289 WeakPolarHBondContact O-CB 3.24Å; S1285-K1289 WeakPolarHBondContact O-CD 2.86Å; S1285-K1289 WeakPolarHBondContact O-CG 2.97Å; S1285-K1289 PolarHBondContact O-N 3Å; K1289-L1291 VanDerWaalsContact C-N 3.27Å; K1289-L1291 PolarHBondContact O-N 3.46Å; K1289-N1292 CarbonylContact O-C 3.58Å; K1289-N1292 VanDerWaalsContact O-C 3.31Å; K1289-N1292 PolarHBondContact O-N 2.93Å; K1289-E1293 WeakPolarHBondContact O-CA 3.37Å; K1289-E1293 WeakPolarHBondContact O-CB 3.45Å; K1289-E1293 VanDerWaalsContact O-CG 3.3Å; K1289-E1293 WeakPolarHBondContact O-CG 3.43Å; K1289-E1293 PolarHBondContact O-N 3.01Å |
| 1290 | A | 59.6 | Low | 66.1 | Low | 32 Ų | 32 | 84.7 Ų | 84.7 | 26% | 0.264 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -10.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1286 E1293 I1294 | R1286-A1290 WeakPolarHBondContact O-CA 3.25Å; R1286-A1290 WeakPolarHBondContact O-CB 3.5Å; R1286-A1290 PolarHBondContact O-N 3.35Å; A1290-E1293 CarbonylContact O-C 3.57Å; A1290-I1294 WeakPolarHBondContact O-CA 3.36Å; A1290-I1294 WeakPolarHBondContact O-CB 3.23Å; A1290-I1294 VanDerWaalsContact O-CD1 3.27Å; A1290-I1294 WeakPolarHBondContact O-CD1 3.37Å; A1290-I1294 WeakPolarHBondContact O-CG1 3.22Å; A1290-I1294 PolarHBondContact O-N 3.22Å |
| 1291 | L | 63.2 | Low | 66 | Low | 73 Ų | 73 | 83.3 Ų | 83.3 | 38% | 0.382 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 7.7 | 160.7 | -61.9 | 161.5 | 0 | 0 | 0 | 112.3 | L1287 K1289 I1294 E1295 | L1287-L1291 HydrophobicContact CD1-CD1 4.44Å; L1287-L1291 HydrophobicContact CD1-CG 4.2Å; L1287-L1291 HydrophobicContact CD2-CD1 4.29Å; L1287-L1291 HydrophobicContact CG-CD1 3.82Å; L1287-L1291 HydrophobicContact CG-CG 3.99Å; L1287-L1291 VanDerWaalsContact O-CA 3.23Å; L1287-L1291 WeakPolarHBondContact O-CA 3.43Å; L1287-L1291 WeakPolarHBondContact O-CB 3.38Å; L1287-L1291 VanDerWaalsContact O-CD1 3.24Å; L1287-L1291 WeakPolarHBondContact O-CD1 3.4Å; L1287-L1291 WeakPolarHBondContact O-CG 3.33Å; L1287-L1291 PolarHBondContact O-N 3.45Å; K1289-L1291 VanDerWaalsContact C-N 3.27Å; K1289-L1291 PolarHBondContact O-N 3.46Å; L1291-I1294 HydrophobicContact CD2-CB 4.1Å; L1291-I1294 HydrophobicContact CD2-CG2 4.03Å; L1291-E1295 VanDerWaalsContact O-CA 3.31Å; L1291-E1295 WeakPolarHBondContact O-CA 3.19Å; L1291-E1295 WeakPolarHBondContact O-CB 3.46Å; L1291-E1295 WeakPolarHBondContact O-CG 3.34Å; L1291-E1295 PolarHBondContact O-N 3.36Å |
| 1292 | N | 72.4 | Confident | 65.8 | Low | 103 Ų | 103 | 84.5 Ų | 84.5 | 55% | 0.551 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | -1.8 | 155.2 | -65 | 5.2 | 0 | 0 | 0 | 111.2 | T1288 K1289 G1296 | T1288-N1292 WeakPolarHBondContact O-CA 3.39Å; T1288-N1292 WeakPolarHBondContact O-CB 3.42Å; T1288-N1292 PolarHBondContact O-N 2.66Å; T1288-N1292 PolarHBondContact O-ND2 2.92Å; T1288-N1292 PolarHBondContact O-OD1 3.42Å; K1289-N1292 CarbonylContact O-C 3.58Å; K1289-N1292 VanDerWaalsContact O-C 3.31Å; K1289-N1292 PolarHBondContact O-N 2.93Å; N1292-G1296 WeakPolarHBondContact O-CA 3.32Å; N1292-G1296 PolarHBondContact O-N 3.06Å |
| 1293 | E | 67.9 | Low | 65.9 | Low | 126 Ų | 126 | 86.2 Ų | 86.2 | 59% | 0.589 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -109.6 | -10.9 | 162.8 | -67.1 | 172.2 | -168.3 | 0 | 0 | 109.8 | K1289 A1290 L1297 | K1289-E1293 WeakPolarHBondContact O-CA 3.37Å; K1289-E1293 WeakPolarHBondContact O-CB 3.45Å; K1289-E1293 VanDerWaalsContact O-CG 3.3Å; K1289-E1293 WeakPolarHBondContact O-CG 3.43Å; K1289-E1293 PolarHBondContact O-N 3.01Å; A1290-E1293 CarbonylContact O-C 3.57Å; E1293-L1297 VanDerWaalsContact C-N 3.32Å; E1293-L1297 WeakPolarHBondContact O-CA 3.22Å; E1293-L1297 WeakPolarHBondContact O-CB 3.35Å; E1293-L1297 WeakPolarHBondContact O-CD1 3.34Å; E1293-L1297 WeakPolarHBondContact O-CG 3.32Å; E1293-L1297 PolarHBondContact O-N 2.88Å |
| 1294 | I | 59.6 | Low | 66 | Low | 73 Ų | 73 | 85.4 Ų | 85.4 | 37% | 0.374 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -13.6 | 159 | -63.7 | 163.3 | 0 | 0 | 0 | 111.5 | A1290 L1291 G1296 L1297 N1298 | A1290-I1294 WeakPolarHBondContact O-CA 3.36Å; A1290-I1294 WeakPolarHBondContact O-CB 3.23Å; A1290-I1294 VanDerWaalsContact O-CD1 3.27Å; A1290-I1294 WeakPolarHBondContact O-CD1 3.37Å; A1290-I1294 WeakPolarHBondContact O-CG1 3.22Å; A1290-I1294 PolarHBondContact O-N 3.22Å; L1291-I1294 HydrophobicContact CD2-CB 4.1Å; L1291-I1294 HydrophobicContact CD2-CG2 4.03Å; I1294-G1296 VanDerWaalsContact C-N 3.27Å; I1294-L1297 CarbonylContact O-C 3.58Å; I1294-N1298 WeakPolarHBondContact O-CA 3.13Å; I1294-N1298 WeakPolarHBondContact O-CB 3.21Å; I1294-N1298 PolarHBondContact O-N 3.07Å; I1294-N1298 PolarHBondContact O-ND2 2.78Å; I1294-N1298 PolarHBondContact O-OD1 2.93Å |
| 1295 | E | 68 | Low | 65.8 | Low | 113 Ų | 113 | 86.8 Ų | 86.8 | 53% | 0.528 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -4.9 | 141.5 | -68.3 | -178 | 174.5 | 0 | 0 | 110.1 | L1291 N1299 | L1291-E1295 VanDerWaalsContact O-CA 3.31Å; L1291-E1295 WeakPolarHBondContact O-CA 3.19Å; L1291-E1295 WeakPolarHBondContact O-CB 3.46Å; L1291-E1295 WeakPolarHBondContact O-CG 3.34Å; L1291-E1295 PolarHBondContact O-N 3.36Å; E1295-N1299 WeakPolarHBondContact O-CA 3.42Å; E1295-N1299 WeakPolarHBondContact O-CB 3.26Å; E1295-N1299 PolarHBondContact O-N 2.8Å; E1295-N1299 PolarHBondContact O-ND2 2.93Å |
| 1296 | G | 71.5 | Confident | 65.7 | Low | 29 Ų | 29 | 88.2 Ų | 88.2 | 30% | 0.299 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -40.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | N1292 I1294 A1300 | N1292-G1296 WeakPolarHBondContact O-CA 3.32Å; N1292-G1296 PolarHBondContact O-N 3.06Å; I1294-G1296 VanDerWaalsContact C-N 3.27Å; G1296-A1300 WeakPolarHBondContact O-CA 3.33Å; G1296-A1300 WeakPolarHBondContact O-CB 3.41Å; G1296-A1300 PolarHBondContact O-N 2.77Å |
| 1297 | L | 60.6 | Low | 65.7 | Low | 107 Ų | 107 | 85.1 Ų | 85.1 | 56% | 0.56 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 10.4 | 167.9 | -62.9 | 165.3 | 0 | 0 | 0 | 113.2 | E1293 I1294 A1300 M1301 | E1293-L1297 VanDerWaalsContact C-N 3.32Å; E1293-L1297 WeakPolarHBondContact O-CA 3.22Å; E1293-L1297 WeakPolarHBondContact O-CB 3.35Å; E1293-L1297 WeakPolarHBondContact O-CD1 3.34Å; E1293-L1297 WeakPolarHBondContact O-CG 3.32Å; E1293-L1297 PolarHBondContact O-N 2.88Å; I1294-L1297 CarbonylContact O-C 3.58Å; L1297-A1300 HydrophobicContact CD2-CB 4.46Å; L1297-M1301 VanDerWaalsContact O-CA 3.26Å; L1297-M1301 WeakPolarHBondContact O-CA 3.26Å; L1297-M1301 WeakPolarHBondContact O-CB 3.12Å; L1297-M1301 WeakPolarHBondContact O-CG 3.09Å; L1297-M1301 PolarHBondContact O-N 2.82Å |
| 1298 | N | 64.4 | Low | 65.7 | Low | 61 Ų | 61 | 85 Ų | 85 | 33% | 0.326 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | 1 | 159.4 | -57.2 | -10.2 | 0 | 0 | 0 | 113.1 | I1294 M1301 E1302 | I1294-N1298 WeakPolarHBondContact O-CA 3.13Å; I1294-N1298 WeakPolarHBondContact O-CB 3.21Å; I1294-N1298 PolarHBondContact O-N 3.07Å; I1294-N1298 PolarHBondContact O-ND2 2.78Å; I1294-N1298 PolarHBondContact O-OD1 2.93Å; N1298-M1301 HydrophobicContact CB-CB 4.36Å; N1298-E1302 VanDerWaalsContact C-N 3.25Å; N1298-E1302 WeakPolarHBondContact O-CA 3.46Å; N1298-E1302 WeakPolarHBondContact O-CB 3.24Å; N1298-E1302 WeakPolarHBondContact O-CG 3.25Å; N1298-E1302 PolarHBondContact O-N 3.17Å |
| 1299 | N | 70.9 | Confident | 65.6 | Low | 96 Ų | 96 | 83 Ų | 83 | 51% | 0.513 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -94.5 | -18.5 | 144.7 | -75.6 | -87.1 | 0 | 0 | 0 | 109.9 | E1295 E1303 | E1295-N1299 WeakPolarHBondContact O-CA 3.42Å; E1295-N1299 WeakPolarHBondContact O-CB 3.26Å; E1295-N1299 PolarHBondContact O-N 2.8Å; E1295-N1299 PolarHBondContact O-ND2 2.93Å; N1299-E1303 WeakPolarHBondContact O-CA 3.28Å; N1299-E1303 WeakPolarHBondContact O-CB 3.08Å; N1299-E1303 WeakPolarHBondContact O-CG 3.3Å; N1299-E1303 PolarHBondContact O-N 2.85Å |
| 1300 | A | 62.7 | Low | 65.5 | Low | 30 Ų | 30 | 83.7 Ų | 83.7 | 25% | 0.248 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -93.6 | -14.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G1296 L1297 I1304 | G1296-A1300 WeakPolarHBondContact O-CA 3.33Å; G1296-A1300 WeakPolarHBondContact O-CB 3.41Å; G1296-A1300 PolarHBondContact O-N 2.77Å; L1297-A1300 HydrophobicContact CD2-CB 4.46Å; A1300-I1304 WeakPolarHBondContact O-CA 3.47Å; A1300-I1304 WeakPolarHBondContact O-CB 3.47Å; A1300-I1304 VanDerWaalsContact O-CD1 3.25Å; A1300-I1304 WeakPolarHBondContact O-CD1 3.47Å; A1300-I1304 WeakPolarHBondContact O-CG1 3.4Å; A1300-I1304 PolarHBondContact O-N 2.78Å |
| 1301 | M | 57.8 | Low | 65.6 | Low | 81 Ų | 81 | 86 Ų | 86 | 40% | 0.399 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -82.5 | -43.2 | 152.2 | -81.5 | 168.1 | 44.4 | 0 | 0 | 109.7 | L1297 N1298 E1303 I1304 E1305 | L1297-M1301 VanDerWaalsContact O-CA 3.26Å; L1297-M1301 WeakPolarHBondContact O-CA 3.26Å; L1297-M1301 WeakPolarHBondContact O-CB 3.12Å; L1297-M1301 WeakPolarHBondContact O-CG 3.09Å; L1297-M1301 PolarHBondContact O-N 2.82Å; N1298-M1301 HydrophobicContact CB-CB 4.36Å; M1301-E1303 CarbonylContact O-C 3.57Å; M1301-E1303 PolarHBondContact O-N 3.48Å; M1301-E1303 VanDerWaalsContact O-N 3.15Å; M1301-I1304 CarbonylContact O-C 3.54Å; M1301-I1304 VanDerWaalsContact O-CA 3.31Å; M1301-I1304 WeakPolarHBondContact O-CA 3.45Å; M1301-I1304 PolarHBondContact O-N 2.61Å; M1301-E1305 HydrophobicContact CB-CG 4.16Å; M1301-E1305 WeakPolarHBondContact CE-OE1 3.45Å; M1301-E1305 VanDerWaalsContact O-CA 3.23Å; M1301-E1305 WeakPolarHBondContact O-CA 3.28Å; M1301-E1305 WeakPolarHBondContact O-CB 3.35Å; M1301-E1305 VanDerWaalsContact O-CG 3.22Å; M1301-E1305 WeakPolarHBondContact O-CG 3.24Å; M1301-E1305 PolarHBondContact O-N 2.77Å |
| 1302 | E | 68.3 | Low | 65.5 | Low | 119 Ų | 119 | 84.6 Ų | 84.6 | 56% | 0.556 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.3 | -23.5 | 168.3 | -75.9 | -173.1 | -169.4 | 0 | 0 | 113.1 | N1298 T1306 | N1298-E1302 VanDerWaalsContact C-N 3.25Å; N1298-E1302 WeakPolarHBondContact O-CA 3.46Å; N1298-E1302 WeakPolarHBondContact O-CB 3.24Å; N1298-E1302 WeakPolarHBondContact O-CG 3.25Å; N1298-E1302 PolarHBondContact O-N 3.17Å; E1302-T1306 WeakPolarHBondContact O-CA 3.44Å; E1302-T1306 WeakPolarHBondContact O-CB 3.07Å; E1302-T1306 VanDerWaalsContact O-CG2 3.24Å; E1302-T1306 WeakPolarHBondContact O-CG2 3.3Å; E1302-T1306 PolarHBondContact O-N 2.95Å; E1302-T1306 PolarHBondContact O-OG1 2.74Å |
| 1303 | E | 72.3 | Confident | 65.4 | Low | 105 Ų | 105 | 88.9 Ų | 88.9 | 49% | 0.491 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -79.5 | -28.9 | 161.5 | -84.6 | -144.6 | 131.1 | 0 | 0 | 113 | N1299 M1301 E1305 K1307 | N1299-E1303 WeakPolarHBondContact O-CA 3.28Å; N1299-E1303 WeakPolarHBondContact O-CB 3.08Å; N1299-E1303 WeakPolarHBondContact O-CG 3.3Å; N1299-E1303 PolarHBondContact O-N 2.85Å; M1301-E1303 CarbonylContact O-C 3.57Å; M1301-E1303 PolarHBondContact O-N 3.48Å; M1301-E1303 VanDerWaalsContact O-N 3.15Å; E1303-E1305 VanDerWaalsContact C-N 3.31Å; E1303-K1307 VanDerWaalsContact O-CA 3.28Å; E1303-K1307 WeakPolarHBondContact O-CA 3.27Å; E1303-K1307 WeakPolarHBondContact O-CB 3.26Å; E1303-K1307 WeakPolarHBondContact O-CD 3.15Å; E1303-K1307 WeakPolarHBondContact O-CG 3.5Å; E1303-K1307 PolarHBondContact O-N 2.9Å; E1303-K1307 IonicContact OE1-NZ 2.65Å; E1303-K1307 PolarHBondContact OE1-NZ 2.71Å; E1303-K1307 IonicContact OE2-NZ 2.71Å; E1303-K1307 PolarHBondContact OE2-NZ 2.9Å |
| 1304 | I | 63.3 | Low | 65.5 | Low | 96 Ų | 96 | 85.8 Ų | 85.8 | 49% | 0.492 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -91.6 | 14.1 | 172.4 | -62.1 | 164.2 | 0 | 0 | 0 | 111.8 | A1300 M1301 L1308 | A1300-I1304 WeakPolarHBondContact O-CA 3.47Å; A1300-I1304 WeakPolarHBondContact O-CB 3.47Å; A1300-I1304 VanDerWaalsContact O-CD1 3.25Å; A1300-I1304 WeakPolarHBondContact O-CD1 3.47Å; A1300-I1304 WeakPolarHBondContact O-CG1 3.4Å; A1300-I1304 PolarHBondContact O-N 2.78Å; M1301-I1304 CarbonylContact O-C 3.54Å; M1301-I1304 VanDerWaalsContact O-CA 3.31Å; M1301-I1304 WeakPolarHBondContact O-CA 3.45Å; M1301-I1304 PolarHBondContact O-N 2.61Å; I1304-L1308 HydrophobicContact CG2-CD1 4.25Å; I1304-L1308 VanDerWaalsContact O-CA 3.3Å; I1304-L1308 WeakPolarHBondContact O-CA 3.4Å; I1304-L1308 WeakPolarHBondContact O-CB 3.11Å; I1304-L1308 VanDerWaalsContact O-CD1 3.31Å; I1304-L1308 WeakPolarHBondContact O-CD1 3.2Å; I1304-L1308 PolarHBondContact O-N 3.2Å |
| 1305 | E | 62.1 | Low | 65.5 | Low | 95 Ų | 95 | 86.2 Ų | 86.2 | 44% | 0.444 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -143.1 | -7.5 | -179.1 | -65.3 | -176.9 | 150.8 | 0 | 0 | 111.5 | M1301 E1303 L1308 G1309 | M1301-E1305 HydrophobicContact CB-CG 4.16Å; M1301-E1305 WeakPolarHBondContact CE-OE1 3.45Å; M1301-E1305 VanDerWaalsContact O-CA 3.23Å; M1301-E1305 WeakPolarHBondContact O-CA 3.28Å; M1301-E1305 WeakPolarHBondContact O-CB 3.35Å; M1301-E1305 VanDerWaalsContact O-CG 3.22Å; M1301-E1305 WeakPolarHBondContact O-CG 3.24Å; M1301-E1305 PolarHBondContact O-N 2.77Å; E1303-E1305 VanDerWaalsContact C-N 3.31Å; E1305-L1308 HydrophobicContact CG-CB 4.48Å; E1305-G1309 WeakPolarHBondContact O-CA 3.03Å; E1305-G1309 PolarHBondContact O-N 3.26Å |
| 1306 | T | 70.1 | Confident | 65.4 | Low | 74 Ų | 74 | 85 Ų | 85 | 45% | 0.454 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -6.8 | 143 | 67.6 | 0 | 0 | 0 | 0 | 111.4 | E1302 K1310 | E1302-T1306 WeakPolarHBondContact O-CA 3.44Å; E1302-T1306 WeakPolarHBondContact O-CB 3.07Å; E1302-T1306 VanDerWaalsContact O-CG2 3.24Å; E1302-T1306 WeakPolarHBondContact O-CG2 3.3Å; E1302-T1306 PolarHBondContact O-N 2.95Å; E1302-T1306 PolarHBondContact O-OG1 2.74Å; T1306-K1310 WeakPolarHBondContact O-CB 2.97Å; T1306-K1310 VanDerWaalsContact O-CD 3.24Å; T1306-K1310 WeakPolarHBondContact O-CD 3.46Å; T1306-K1310 WeakPolarHBondContact O-CG 3.31Å; T1306-K1310 PolarHBondContact O-N 2.8Å |
| 1307 | K | 66.9 | Low | 65.5 | Low | 93 Ų | 93 | 86 Ų | 86 | 40% | 0.404 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -31.3 | 152.8 | -59.6 | 157 | -158.3 | 162.1 | 0 | 112.3 | E1303 K1310 V1311 | E1303-K1307 VanDerWaalsContact O-CA 3.28Å; E1303-K1307 WeakPolarHBondContact O-CA 3.27Å; E1303-K1307 WeakPolarHBondContact O-CB 3.26Å; E1303-K1307 WeakPolarHBondContact O-CD 3.15Å; E1303-K1307 WeakPolarHBondContact O-CG 3.5Å; E1303-K1307 PolarHBondContact O-N 2.9Å; E1303-K1307 IonicContact OE1-NZ 2.65Å; E1303-K1307 PolarHBondContact OE1-NZ 2.71Å; E1303-K1307 IonicContact OE2-NZ 2.71Å; E1303-K1307 PolarHBondContact OE2-NZ 2.9Å; K1307-K1310 CarbonylContact O-C 3.55Å; K1307-K1310 PolarHBondContact O-N 3.22Å; K1307-V1311 WeakPolarHBondContact O-CA 3.05Å; K1307-V1311 WeakPolarHBondContact O-CB 3.09Å; K1307-V1311 WeakPolarHBondContact O-CG2 3.43Å; K1307-V1311 PolarHBondContact O-N 3.36Å |
| 1308 | L | 58.6 | Low | 65.7 | Low | 86 Ų | 86 | 82.4 Ų | 82.4 | 45% | 0.45 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.6 | -57.6 | 154.2 | -110.9 | 66 | 0 | 0 | 0 | 106 | I1304 E1305 K1310 V1311 T1312 | I1304-L1308 HydrophobicContact CG2-CD1 4.25Å; I1304-L1308 VanDerWaalsContact O-CA 3.3Å; I1304-L1308 WeakPolarHBondContact O-CA 3.4Å; I1304-L1308 WeakPolarHBondContact O-CB 3.11Å; I1304-L1308 VanDerWaalsContact O-CD1 3.31Å; I1304-L1308 WeakPolarHBondContact O-CD1 3.2Å; I1304-L1308 PolarHBondContact O-N 3.2Å; E1305-L1308 HydrophobicContact CG-CB 4.48Å; L1308-K1310 CarbonylContact O-C 3.57Å; L1308-K1310 PolarHBondContact O-N 2.84Å; L1308-V1311 CarbonylContact O-C 3.45Å; L1308-V1311 VanDerWaalsContact O-C 3.26Å; L1308-V1311 WeakPolarHBondContact O-CA 3.45Å; L1308-V1311 PolarHBondContact O-N 2.75Å; L1308-T1312 WeakPolarHBondContact O-CA 3.42Å; L1308-T1312 WeakPolarHBondContact O-CB 3.45Å; L1308-T1312 PolarHBondContact O-N 2.96Å; L1308-T1312 PolarHBondContact O-OG1 3.28Å; L1308-T1312 VanDerWaalsContact O-OG1 3.11Å |
| 1309 | G | 66.2 | Low | 65.6 | Low | 20 Ų | 20 | 82.8 Ų | 82.8 | 21% | 0.206 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -57.3 | -0.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | E1305 R1313 | E1305-G1309 WeakPolarHBondContact O-CA 3.03Å; E1305-G1309 PolarHBondContact O-N 3.26Å; G1309-R1313 WeakPolarHBondContact O-CB 3.25Å; G1309-R1313 VanDerWaalsContact O-CD 3.23Å; G1309-R1313 WeakPolarHBondContact O-CD 3.33Å; G1309-R1313 WeakPolarHBondContact O-CG 3.37Å; G1309-R1313 PolarHBondContact O-N 3.06Å |
| 1310 | K | 69 | Low | 65.5 | Low | 145 Ų | 145 | 81 Ų | 81 | 63% | 0.63 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -106.6 | -30 | 157.7 | -81 | 168.1 | -172.4 | 164 | 0 | 113.9 | T1306 K1307 L1308 T1312 R1313 S1314 | T1306-K1310 WeakPolarHBondContact O-CB 2.97Å; T1306-K1310 VanDerWaalsContact O-CD 3.24Å; T1306-K1310 WeakPolarHBondContact O-CD 3.46Å; T1306-K1310 WeakPolarHBondContact O-CG 3.31Å; T1306-K1310 PolarHBondContact O-N 2.8Å; K1307-K1310 CarbonylContact O-C 3.55Å; K1307-K1310 PolarHBondContact O-N 3.22Å; L1308-K1310 CarbonylContact O-C 3.57Å; L1308-K1310 PolarHBondContact O-N 2.84Å; K1310-T1312 VanDerWaalsContact C-N 3.31Å; K1310-R1313 CarbonylContact O-C 3.57Å; K1310-S1314 WeakPolarHBondContact O-CA 2.88Å; K1310-S1314 WeakPolarHBondContact O-CB 3.19Å; K1310-S1314 PolarHBondContact O-N 3.26Å; K1310-S1314 PolarHBondContact O-OG 3.05Å |
| 1311 | V | 61.2 | Low | 66 | Low | 82 Ų | 82 | 85 Ų | 85 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -79.3 | -10.5 | 169.8 | 171.4 | 0 | 0 | 0 | 0 | 113.1 | K1307 L1308 S1314 E1315 | K1307-V1311 WeakPolarHBondContact O-CA 3.05Å; K1307-V1311 WeakPolarHBondContact O-CB 3.09Å; K1307-V1311 WeakPolarHBondContact O-CG2 3.43Å; K1307-V1311 PolarHBondContact O-N 3.36Å; L1308-V1311 CarbonylContact O-C 3.45Å; L1308-V1311 VanDerWaalsContact O-C 3.26Å; L1308-V1311 WeakPolarHBondContact O-CA 3.45Å; L1308-V1311 PolarHBondContact O-N 2.75Å; V1311-S1314 VanDerWaalsContact CA-OG 3.3Å; V1311-S1314 WeakPolarHBondContact CA-OG 3.06Å; V1311-S1314 CarbonylContact O-C 3.58Å; V1311-S1314 PolarHBondContact O-OG 3.36Å; V1311-E1315 VanDerWaalsContact C-N 3.29Å; V1311-E1315 VanDerWaalsContact O-CA 3.29Å; V1311-E1315 WeakPolarHBondContact O-CA 3.05Å; V1311-E1315 WeakPolarHBondContact O-CB 3.09Å; V1311-E1315 PolarHBondContact O-N 3.29Å |
| 1312 | T | 62.2 | Low | 66 | Low | 42 Ų | 42 | 84.9 Ų | 84.9 | 26% | 0.258 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | -2.7 | -175.9 | -44.5 | 0 | 0 | 0 | 0 | 109.6 | L1308 K1310 E1315 T1316 | L1308-T1312 WeakPolarHBondContact O-CA 3.42Å; L1308-T1312 WeakPolarHBondContact O-CB 3.45Å; L1308-T1312 PolarHBondContact O-N 2.96Å; L1308-T1312 PolarHBondContact O-OG1 3.28Å; L1308-T1312 VanDerWaalsContact O-OG1 3.11Å; K1310-T1312 VanDerWaalsContact C-N 3.31Å; T1312-E1315 WeakPolarHBondContact CB-OE2 3.36Å; T1312-E1315 VanDerWaalsContact CG2-OE2 3.3Å; T1312-E1315 WeakPolarHBondContact CG2-OE2 3.27Å; T1312-E1315 PolarHBondContact OG1-OE2 2.96Å; T1312-T1316 VanDerWaalsContact O-CB 3.27Å; T1312-T1316 WeakPolarHBondContact O-CB 3.24Å; T1312-T1316 VanDerWaalsContact O-CG2 3.29Å; T1312-T1316 WeakPolarHBondContact O-CG2 3.33Å; T1312-T1316 PolarHBondContact O-N 2.91Å; T1312-T1316 PolarHBondContact O-OG1 2.76Å |
| 1313 | R | 69.4 | Low | 65.9 | Low | 194 Ų | 194 | 83.6 Ų | 83.6 | 73% | 0.732 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -90.6 | -5.7 | 132.5 | -71.3 | 174.4 | -166.4 | 171.8 | 6.5 | 112.9 | G1309 K1310 S1317 | G1309-R1313 WeakPolarHBondContact O-CB 3.25Å; G1309-R1313 VanDerWaalsContact O-CD 3.23Å; G1309-R1313 WeakPolarHBondContact O-CD 3.33Å; G1309-R1313 WeakPolarHBondContact O-CG 3.37Å; G1309-R1313 PolarHBondContact O-N 3.06Å; K1310-R1313 CarbonylContact O-C 3.57Å; R1313-S1317 WeakPolarHBondContact O-CA 3.38Å; R1313-S1317 WeakPolarHBondContact O-CB 3.45Å; R1313-S1317 PolarHBondContact O-N 2.83Å |
| 1314 | S | 69.6 | Low | 65.9 | Low | 60 Ų | 60 | 83.8 Ų | 83.8 | 42% | 0.42 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -113.5 | 15.5 | 162.6 | 92.8 | 0 | 0 | 0 | 0 | 113.2 | K1310 V1311 A1318 | K1310-S1314 WeakPolarHBondContact O-CA 2.88Å; K1310-S1314 WeakPolarHBondContact O-CB 3.19Å; K1310-S1314 PolarHBondContact O-N 3.26Å; K1310-S1314 PolarHBondContact O-OG 3.05Å; V1311-S1314 VanDerWaalsContact CA-OG 3.3Å; V1311-S1314 WeakPolarHBondContact CA-OG 3.06Å; V1311-S1314 CarbonylContact O-C 3.58Å; V1311-S1314 PolarHBondContact O-OG 3.36Å; S1314-A1318 WeakPolarHBondContact O-CA 3.4Å; S1314-A1318 WeakPolarHBondContact O-CB 3.44Å; S1314-A1318 PolarHBondContact O-N 2.58Å |
| 1315 | E | 60.9 | Low | 66.1 | Low | 82 Ų | 82 | 83.6 Ų | 83.6 | 38% | 0.383 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -133.6 | -1.1 | 164.7 | 166.8 | -153.2 | -146.2 | 0 | 0 | 107.1 | V1311 T1312 Q1319 | V1311-E1315 VanDerWaalsContact C-N 3.29Å; V1311-E1315 VanDerWaalsContact O-CA 3.29Å; V1311-E1315 WeakPolarHBondContact O-CA 3.05Å; V1311-E1315 WeakPolarHBondContact O-CB 3.09Å; V1311-E1315 PolarHBondContact O-N 3.29Å; T1312-E1315 WeakPolarHBondContact CB-OE2 3.36Å; T1312-E1315 VanDerWaalsContact CG2-OE2 3.3Å; T1312-E1315 WeakPolarHBondContact CG2-OE2 3.27Å; T1312-E1315 PolarHBondContact OG1-OE2 2.96Å; E1315-Q1319 WeakPolarHBondContact O-CA 3.47Å; E1315-Q1319 WeakPolarHBondContact O-CB 3.05Å; E1315-Q1319 VanDerWaalsContact O-CD 3.31Å; E1315-Q1319 PolarHBondContact O-N 3.07Å; E1315-Q1319 PolarHBondContact O-OE1 2.97Å |
| 1316 | T | 65.5 | Low | 66.1 | Low | 87 Ų | 87 | 85.9 Ų | 85.9 | 53% | 0.534 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -104.7 | -8.6 | 141.5 | 61.8 | 0 | 0 | 0 | 0 | 112.9 | T1312 S1320 | T1312-T1316 VanDerWaalsContact O-CB 3.27Å; T1312-T1316 WeakPolarHBondContact O-CB 3.24Å; T1312-T1316 VanDerWaalsContact O-CG2 3.29Å; T1312-T1316 WeakPolarHBondContact O-CG2 3.33Å; T1312-T1316 PolarHBondContact O-N 2.91Å; T1312-T1316 PolarHBondContact O-OG1 2.76Å; T1316-S1320 WeakPolarHBondContact O-CA 3.02Å; T1316-S1320 WeakPolarHBondContact O-CB 3.33Å; T1316-S1320 PolarHBondContact O-N 3.06Å; T1316-S1320 PolarHBondContact O-OG 3.22Å |
| 1317 | S | 72.8 | Confident | 65.9 | Low | 51 Ų | 51 | 84 Ų | 84 | 36% | 0.357 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -93.3 | -13.5 | 153.3 | -166.3 | 0 | 0 | 0 | 0 | 112.8 | R1313 S1320 E1321 | R1313-S1317 WeakPolarHBondContact O-CA 3.38Å; R1313-S1317 WeakPolarHBondContact O-CB 3.45Å; R1313-S1317 PolarHBondContact O-N 2.83Å; S1317-S1320 VanDerWaalsContact CA-OG 3.26Å; S1317-S1320 WeakPolarHBondContact CA-OG 3.21Å; S1317-S1320 PolarHBondContact O-OG 3.14Å; S1317-E1321 WeakPolarHBondContact O-CB 3.15Å; S1317-E1321 WeakPolarHBondContact O-CG 3.17Å; S1317-E1321 PolarHBondContact O-N 2.8Å |
| 1318 | A | 64.9 | Low | 66 | Low | 32 Ų | 32 | 86.9 Ų | 86.9 | 26% | 0.264 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 8.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1314 E1321 L1322 | S1314-A1318 WeakPolarHBondContact O-CA 3.4Å; S1314-A1318 WeakPolarHBondContact O-CB 3.44Å; S1314-A1318 PolarHBondContact O-N 2.58Å; A1318-E1321 HydrophobicContact CB-CB 4.41Å; A1318-L1322 VanDerWaalsContact C-N 3.29Å; A1318-L1322 VanDerWaalsContact O-CA 3.3Å; A1318-L1322 WeakPolarHBondContact O-CA 3.46Å; A1318-L1322 WeakPolarHBondContact O-CB 3.46Å; A1318-L1322 VanDerWaalsContact O-CG 3.31Å; A1318-L1322 WeakPolarHBondContact O-CG 3.11Å; A1318-L1322 PolarHBondContact O-N 2.71Å |
| 1319 | Q | 62 | Low | 66.2 | Low | 68 Ų | 68 | 87.4 Ų | 87.4 | 32% | 0.318 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -12.1 | 136.2 | -91.2 | 74.7 | -66.2 | 0 | 0 | 111.8 | E1315 L1322 N1323 | E1315-Q1319 WeakPolarHBondContact O-CA 3.47Å; E1315-Q1319 WeakPolarHBondContact O-CB 3.05Å; E1315-Q1319 VanDerWaalsContact O-CD 3.31Å; E1315-Q1319 PolarHBondContact O-N 3.07Å; E1315-Q1319 PolarHBondContact O-OE1 2.97Å; Q1319-L1322 HydrophobicContact CG-CB 4.41Å; Q1319-N1323 VanDerWaalsContact O-CA 3.32Å; Q1319-N1323 WeakPolarHBondContact O-CA 3.5Å; Q1319-N1323 WeakPolarHBondContact O-CB 3.24Å; Q1319-N1323 PolarHBondContact O-N 3.3Å; Q1319-N1323 PolarHBondContact O-ND2 2.84Å |
| 1320 | S | 70.7 | Confident | 66 | Low | 59 Ų | 59 | 91.7 Ų | 91.7 | 41% | 0.413 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -46.8 | 155.7 | 82.6 | 0 | 0 | 0 | 0 | 107.4 | T1316 S1317 N1323 H1324 | T1316-S1320 WeakPolarHBondContact O-CA 3.02Å; T1316-S1320 WeakPolarHBondContact O-CB 3.33Å; T1316-S1320 PolarHBondContact O-N 3.06Å; T1316-S1320 PolarHBondContact O-OG 3.22Å; S1317-S1320 VanDerWaalsContact CA-OG 3.26Å; S1317-S1320 WeakPolarHBondContact CA-OG 3.21Å; S1317-S1320 PolarHBondContact O-OG 3.14Å; S1320-N1323 CarbonylContact O-C 3.59Å; S1320-N1323 VanDerWaalsContact O-C 3.24Å; S1320-N1323 PolarHBondContact O-N 2.89Å; S1320-H1324 WeakPolarHBondContact O-CA 3.31Å; S1320-H1324 WeakPolarHBondContact O-CB 3.16Å; S1320-H1324 PolarHBondContact O-N 3.49Å |
| 1321 | E | 71.6 | Confident | 65.8 | Low | 114 Ų | 114 | 89.6 Ų | 89.6 | 53% | 0.533 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -28.3 | 171.7 | -68.4 | 171.4 | -166.9 | 0 | 0 | 114 | S1317 A1318 H1324 L1325 | S1317-E1321 WeakPolarHBondContact O-CB 3.15Å; S1317-E1321 WeakPolarHBondContact O-CG 3.17Å; S1317-E1321 PolarHBondContact O-N 2.8Å; A1318-E1321 HydrophobicContact CB-CB 4.41Å; E1321-H1324 CarbonylContact O-C 3.32Å; E1321-H1324 PolarHBondContact O-N 3.44Å; E1321-L1325 VanDerWaalsContact O-CA 3.28Å; E1321-L1325 WeakPolarHBondContact O-CA 3.49Å; E1321-L1325 WeakPolarHBondContact O-CB 3.33Å; E1321-L1325 WeakPolarHBondContact O-CG 3.43Å; E1321-L1325 PolarHBondContact O-N 2.79Å |
| 1322 | L | 59.2 | Low | 65.9 | Low | 78 Ų | 78 | 92.1 Ų | 92.1 | 41% | 0.408 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -6.7 | 164 | -85.2 | 163.1 | 0 | 0 | 0 | 113.9 | A1318 Q1319 R1326 | A1318-L1322 VanDerWaalsContact C-N 3.29Å; A1318-L1322 VanDerWaalsContact O-CA 3.3Å; A1318-L1322 WeakPolarHBondContact O-CA 3.46Å; A1318-L1322 WeakPolarHBondContact O-CB 3.46Å; A1318-L1322 VanDerWaalsContact O-CG 3.31Å; A1318-L1322 WeakPolarHBondContact O-CG 3.11Å; A1318-L1322 PolarHBondContact O-N 2.71Å; Q1319-L1322 HydrophobicContact CG-CB 4.41Å; L1322-R1326 VanDerWaalsContact O-CA 3.25Å; L1322-R1326 WeakPolarHBondContact O-CA 3.26Å; L1322-R1326 WeakPolarHBondContact O-CB 3.22Å; L1322-R1326 VanDerWaalsContact O-CD 3.3Å; L1322-R1326 WeakPolarHBondContact O-CD 3.44Å; L1322-R1326 WeakPolarHBondContact O-CG 3.32Å; L1322-R1326 PolarHBondContact O-N 3.04Å |
| 1323 | N | 65.5 | Low | 65.8 | Low | 92 Ų | 92 | 93 Ų | 93 | 49% | 0.492 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 5.2 | 162.9 | -57.2 | -19.6 | 0 | 0 | 0 | 111.3 | Q1319 S1320 A1327 | Q1319-N1323 VanDerWaalsContact O-CA 3.32Å; Q1319-N1323 WeakPolarHBondContact O-CA 3.5Å; Q1319-N1323 WeakPolarHBondContact O-CB 3.24Å; Q1319-N1323 PolarHBondContact O-N 3.3Å; Q1319-N1323 PolarHBondContact O-ND2 2.84Å; S1320-N1323 CarbonylContact O-C 3.59Å; S1320-N1323 VanDerWaalsContact O-C 3.24Å; S1320-N1323 PolarHBondContact O-N 2.89Å; N1323-A1327 VanDerWaalsContact C-N 3.26Å; N1323-A1327 WeakPolarHBondContact O-CA 3.47Å; N1323-A1327 WeakPolarHBondContact O-CB 3.39Å; N1323-A1327 PolarHBondContact O-N 3.19Å |
| 1324 | H | 72.9 | Confident | 65.4 | Low | 110 Ų | 110 | 89.9 Ų | 89.9 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | -3.4 | 165.4 | -146.7 | -3.2 | 0 | 0 | 0 | 110.5 | S1320 E1321 R1328 | S1320-H1324 WeakPolarHBondContact O-CA 3.31Å; S1320-H1324 WeakPolarHBondContact O-CB 3.16Å; S1320-H1324 PolarHBondContact O-N 3.49Å; E1321-H1324 CarbonylContact O-C 3.32Å; E1321-H1324 PolarHBondContact O-N 3.44Å; H1324-R1328 VanDerWaalsContact C-N 3.25Å; H1324-R1328 WeakPolarHBondContact O-CA 3.31Å; H1324-R1328 WeakPolarHBondContact O-CB 3.47Å; H1324-R1328 VanDerWaalsContact O-CD 3.28Å; H1324-R1328 WeakPolarHBondContact O-CD 3.17Å; H1324-R1328 WeakPolarHBondContact O-CG 3.23Å; H1324-R1328 PolarHBondContact O-N 3.42Å |
| 1325 | L | 65.9 | Low | 65.3 | Low | 91 Ų | 91 | 88.9 Ų | 88.9 | 48% | 0.476 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -116.2 | -8.9 | 161.6 | -63.7 | 167.4 | 0 | 0 | 0 | 111.2 | E1321 R1328 L1329 | E1321-L1325 VanDerWaalsContact O-CA 3.28Å; E1321-L1325 WeakPolarHBondContact O-CA 3.49Å; E1321-L1325 WeakPolarHBondContact O-CB 3.33Å; E1321-L1325 WeakPolarHBondContact O-CG 3.43Å; E1321-L1325 PolarHBondContact O-N 2.79Å; L1325-R1328 HydrophobicContact CD2-CB 4.26Å; L1325-L1329 WeakPolarHBondContact O-CA 3.49Å; L1325-L1329 WeakPolarHBondContact O-CB 3.43Å; L1325-L1329 PolarHBondContact O-N 3.5Å |
| 1326 | R | 62.3 | Low | 65.3 | Low | 144 Ų | 144 | 91.8 Ų | 91.8 | 54% | 0.543 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -95.4 | -25.2 | 147.9 | -67 | 165.6 | 175.6 | 178.2 | -3.7 | 111.7 | L1322 R1328 L1329 E1330 | L1322-R1326 VanDerWaalsContact O-CA 3.25Å; L1322-R1326 WeakPolarHBondContact O-CA 3.26Å; L1322-R1326 WeakPolarHBondContact O-CB 3.22Å; L1322-R1326 VanDerWaalsContact O-CD 3.3Å; L1322-R1326 WeakPolarHBondContact O-CD 3.44Å; L1322-R1326 WeakPolarHBondContact O-CG 3.32Å; L1322-R1326 PolarHBondContact O-N 3.04Å; R1326-R1328 VanDerWaalsContact C-N 3.32Å; R1326-L1329 CarbonylContact O-C 3.51Å; R1326-E1330 VanDerWaalsContact O-CA 3.24Å; R1326-E1330 WeakPolarHBondContact O-CA 3.36Å; R1326-E1330 WeakPolarHBondContact O-CB 3.31Å; R1326-E1330 WeakPolarHBondContact O-CG 3.3Å; R1326-E1330 PolarHBondContact O-N 2.99Å |
| 1327 | A | 67.3 | Low | 65 | Low | 33 Ų | 33 | 92.2 Ų | 92.2 | 27% | 0.273 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -5.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1323 E1331 | N1323-A1327 VanDerWaalsContact C-N 3.26Å; N1323-A1327 WeakPolarHBondContact O-CA 3.47Å; N1323-A1327 WeakPolarHBondContact O-CB 3.39Å; N1323-A1327 PolarHBondContact O-N 3.19Å; A1327-E1331 WeakPolarHBondContact O-CA 3.41Å; A1327-E1331 WeakPolarHBondContact O-CB 3.18Å; A1327-E1331 WeakPolarHBondContact O-CG 3.07Å; A1327-E1331 PolarHBondContact O-N 2.85Å |
| 1328 | R | 68.2 | Low | 64.6 | Low | 154 Ų | 154 | 90.9 Ų | 90.9 | 58% | 0.581 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -11.9 | 157.3 | -78.3 | 169.5 | 161.5 | -176.8 | -5.5 | 115.2 | H1324 L1325 R1326 E1331 E1332 | H1324-R1328 VanDerWaalsContact C-N 3.25Å; H1324-R1328 WeakPolarHBondContact O-CA 3.31Å; H1324-R1328 WeakPolarHBondContact O-CB 3.47Å; H1324-R1328 VanDerWaalsContact O-CD 3.28Å; H1324-R1328 WeakPolarHBondContact O-CD 3.17Å; H1324-R1328 WeakPolarHBondContact O-CG 3.23Å; H1324-R1328 PolarHBondContact O-N 3.42Å; L1325-R1328 HydrophobicContact CD2-CB 4.26Å; R1326-R1328 VanDerWaalsContact C-N 3.32Å; R1328-E1331 WeakPolarHBondContact CG-OE2 3.34Å; R1328-E1332 WeakPolarHBondContact O-CA 3.3Å; R1328-E1332 WeakPolarHBondContact O-CB 3.38Å; R1328-E1332 VanDerWaalsContact O-CG 3.31Å; R1328-E1332 WeakPolarHBondContact O-CG 3.4Å; R1328-E1332 PolarHBondContact O-N 2.97Å |
| 1329 | L | 62.6 | Low | 64.4 | Low | 98 Ų | 98 | 94.6 Ų | 94.6 | 51% | 0.513 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -13.6 | 162.3 | -168.1 | 64.2 | 0 | 0 | 0 | 111.3 | L1325 R1326 E1332 T1333 | L1325-L1329 WeakPolarHBondContact O-CA 3.49Å; L1325-L1329 WeakPolarHBondContact O-CB 3.43Å; L1325-L1329 PolarHBondContact O-N 3.5Å; R1326-L1329 CarbonylContact O-C 3.51Å; L1329-E1332 HydrophobicContact CD1-CB 4.41Å; L1329-T1333 HydrophobicContact CD1-CG2 4.38Å; L1329-T1333 HydrophobicContact CG-CG2 4.49Å; L1329-T1333 WeakPolarHBondContact O-CA 3.34Å; L1329-T1333 WeakPolarHBondContact O-CB 3.31Å; L1329-T1333 WeakPolarHBondContact O-CG2 3.49Å; L1329-T1333 PolarHBondContact O-N 2.79Å; L1329-T1333 PolarHBondContact O-OG1 2.92Å |
| 1330 | E | 62.9 | Low | 64.2 | Low | 109 Ų | 109 | 96.7 Ų | 96.7 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -17.9 | 160.9 | -62.9 | 175.8 | 139.6 | 0 | 0 | 110.8 | R1326 Q1334 | R1326-E1330 VanDerWaalsContact O-CA 3.24Å; R1326-E1330 WeakPolarHBondContact O-CA 3.36Å; R1326-E1330 WeakPolarHBondContact O-CB 3.31Å; R1326-E1330 WeakPolarHBondContact O-CG 3.3Å; R1326-E1330 PolarHBondContact O-N 2.99Å; E1330-Q1334 WeakPolarHBondContact O-CA 3.38Å; E1330-Q1334 WeakPolarHBondContact O-CB 2.88Å; E1330-Q1334 WeakPolarHBondContact O-CG 3.14Å; E1330-Q1334 PolarHBondContact O-N 2.92Å |
| 1331 | E | 65.3 | Low | 63.8 | Low | 102 Ų | 102 | 97.5 Ų | 97.5 | 48% | 0.477 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -79.5 | -23.9 | 154.1 | -72.1 | 155.7 | -177.4 | 0 | 0 | 110.5 | A1327 R1328 A1335 | A1327-E1331 WeakPolarHBondContact O-CA 3.41Å; A1327-E1331 WeakPolarHBondContact O-CB 3.18Å; A1327-E1331 WeakPolarHBondContact O-CG 3.07Å; A1327-E1331 PolarHBondContact O-N 2.85Å; R1328-E1331 WeakPolarHBondContact CG-OE2 3.34Å; E1331-A1335 WeakPolarHBondContact O-CA 3.04Å; E1331-A1335 WeakPolarHBondContact O-CB 3.06Å; E1331-A1335 PolarHBondContact O-N 3.45Å |
| 1332 | E | 61.7 | Low | 63.4 | Low | 135 Ų | 135 | 96.3 Ų | 96.3 | 63% | 0.631 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -86.7 | -18.5 | 167.4 | -84.3 | -159 | 138.4 | 0 | 0 | 113 | R1328 L1329 A1335 K1336 | R1328-E1332 WeakPolarHBondContact O-CA 3.3Å; R1328-E1332 WeakPolarHBondContact O-CB 3.38Å; R1328-E1332 VanDerWaalsContact O-CG 3.31Å; R1328-E1332 WeakPolarHBondContact O-CG 3.4Å; R1328-E1332 PolarHBondContact O-N 2.97Å; L1329-E1332 HydrophobicContact CD1-CB 4.41Å; E1332-A1335 CarbonylContact O-C 3.1Å; E1332-K1336 WeakPolarHBondContact O-CA 3Å; E1332-K1336 WeakPolarHBondContact O-CB 2.98Å; E1332-K1336 PolarHBondContact O-N 3.04Å |
| 1333 | T | 60.7 | Low | 63.5 | Low | 60 Ų | 60 | 97.2 Ų | 97.2 | 37% | 0.368 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -104.2 | -13.8 | 170.4 | 65.1 | 0 | 0 | 0 | 0 | 113.8 | L1329 L1337 | L1329-T1333 HydrophobicContact CD1-CG2 4.38Å; L1329-T1333 HydrophobicContact CG-CG2 4.49Å; L1329-T1333 WeakPolarHBondContact O-CA 3.34Å; L1329-T1333 WeakPolarHBondContact O-CB 3.31Å; L1329-T1333 WeakPolarHBondContact O-CG2 3.49Å; L1329-T1333 PolarHBondContact O-N 2.79Å; L1329-T1333 PolarHBondContact O-OG1 2.92Å; T1333-L1337 WeakPolarHBondContact O-CA 3.39Å; T1333-L1337 WeakPolarHBondContact O-CB 3.5Å; T1333-L1337 WeakPolarHBondContact O-CD1 3.03Å; T1333-L1337 WeakPolarHBondContact O-CG 3.03Å; T1333-L1337 PolarHBondContact O-N 2.99Å |
| 1334 | Q | 62.1 | Low | 63.2 | Low | 129 Ų | 129 | 98.8 Ų | 98.8 | 60% | 0.603 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -90 | -15.1 | 154 | -55.6 | 173.3 | 12.2 | 0 | 0 | 112.5 | E1330 L1337 S1338 | E1330-Q1334 WeakPolarHBondContact O-CA 3.38Å; E1330-Q1334 WeakPolarHBondContact O-CB 2.88Å; E1330-Q1334 WeakPolarHBondContact O-CG 3.14Å; E1330-Q1334 PolarHBondContact O-N 2.92Å; Q1334-L1337 CarbonylContact O-C 3.59Å; Q1334-S1338 WeakPolarHBondContact O-CA 3.28Å; Q1334-S1338 WeakPolarHBondContact O-CB 3.25Å; Q1334-S1338 PolarHBondContact O-N 3.21Å |
| 1335 | A | 66.3 | Low | 62.6 | Low | 39 Ų | 39 | 97.6 Ų | 97.6 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 26.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1331 E1332 S1338 L1339 | E1331-A1335 WeakPolarHBondContact O-CA 3.04Å; E1331-A1335 WeakPolarHBondContact O-CB 3.06Å; E1331-A1335 PolarHBondContact O-N 3.45Å; E1332-A1335 CarbonylContact O-C 3.1Å; A1335-S1338 VanDerWaalsContact C-C 3.45Å; A1335-S1338 VanDerWaalsContact CA-C 3.49Å; A1335-S1338 CarbonylContact O-C 3.48Å; A1335-L1339 WeakPolarHBondContact O-CB 3.46Å; A1335-L1339 VanDerWaalsContact O-CD1 3.31Å; A1335-L1339 WeakPolarHBondContact O-CD1 3.26Å; A1335-L1339 WeakPolarHBondContact O-CG 3.42Å; A1335-L1339 PolarHBondContact O-N 3.45Å |
| 1336 | K | 60.6 | Low | 62.5 | Low | 143 Ų | 143 | 97 Ų | 97 | 62% | 0.622 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.9 | -24.4 | 153.7 | -170.8 | 173.1 | -172.6 | 167.7 | 0 | 112.6 | E1332 L1339 Q1340 | E1332-K1336 WeakPolarHBondContact O-CA 3Å; E1332-K1336 WeakPolarHBondContact O-CB 2.98Å; E1332-K1336 PolarHBondContact O-N 3.04Å; K1336-L1339 CarbonylContact O-C 3.4Å; K1336-Q1340 WeakPolarHBondContact O-CB 3.01Å; K1336-Q1340 WeakPolarHBondContact O-CG 3.35Å; K1336-Q1340 PolarHBondContact O-N 3.31Å |
| 1337 | L | 58.8 | Low | 62.3 | Low | 96 Ų | 96 | 94.8 Ų | 94.8 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -74.7 | -7.1 | 145.5 | -67.8 | 163.4 | 0 | 0 | 0 | 112 | T1333 Q1334 L1341 | T1333-L1337 WeakPolarHBondContact O-CA 3.39Å; T1333-L1337 WeakPolarHBondContact O-CB 3.5Å; T1333-L1337 WeakPolarHBondContact O-CD1 3.03Å; T1333-L1337 WeakPolarHBondContact O-CG 3.03Å; T1333-L1337 PolarHBondContact O-N 2.99Å; Q1334-L1337 CarbonylContact O-C 3.59Å; L1337-L1341 WeakPolarHBondContact O-CA 3.48Å; L1337-L1341 WeakPolarHBondContact O-CB 3.22Å; L1337-L1341 WeakPolarHBondContact O-CD1 3.47Å; L1337-L1341 WeakPolarHBondContact O-CG 3.4Å; L1337-L1341 PolarHBondContact O-N 3.42Å |
| 1338 | S | 65.2 | Low | 62 | Low | 23 Ų | 23 | 98.5 Ų | 98.5 | 16% | 0.161 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | 30.7 | 161.6 | -152.2 | 0 | 0 | 0 | 0 | 112.8 | Q1334 A1335 L1341 Q1342 | Q1334-S1338 WeakPolarHBondContact O-CA 3.28Å; Q1334-S1338 WeakPolarHBondContact O-CB 3.25Å; Q1334-S1338 PolarHBondContact O-N 3.21Å; A1335-S1338 VanDerWaalsContact C-C 3.45Å; A1335-S1338 VanDerWaalsContact CA-C 3.49Å; A1335-S1338 CarbonylContact O-C 3.48Å; S1338-L1341 VanDerWaalsContact OG-CB 3.27Å; S1338-L1341 WeakPolarHBondContact OG-CB 3.49Å; S1338-Q1342 VanDerWaalsContact C-N 3.3Å; S1338-Q1342 WeakPolarHBondContact O-CB 2.93Å; S1338-Q1342 VanDerWaalsContact O-CD 3.3Å; S1338-Q1342 WeakPolarHBondContact O-CG 3.26Å; S1338-Q1342 PolarHBondContact O-N 2.87Å; S1338-Q1342 PolarHBondContact O-OE1 3.27Å; S1338-Q1342 PolarHBondContact OG-N 2.96Å |
| 1339 | L | 60.6 | Low | 61.7 | Low | 109 Ų | 109 | 95.4 Ų | 95.4 | 57% | 0.571 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | 17.5 | 130.9 | -77.5 | 165.2 | 0 | 0 | 0 | 109.1 | A1335 K1336 Q1342 L1343 | A1335-L1339 WeakPolarHBondContact O-CB 3.46Å; A1335-L1339 VanDerWaalsContact O-CD1 3.31Å; A1335-L1339 WeakPolarHBondContact O-CD1 3.26Å; A1335-L1339 WeakPolarHBondContact O-CG 3.42Å; A1335-L1339 PolarHBondContact O-N 3.45Å; K1336-L1339 CarbonylContact O-C 3.4Å; L1339-Q1342 HydrophobicContact CD2-CB 4.13Å; L1339-L1343 WeakPolarHBondContact O-CB 3.21Å |
| 1340 | Q | 58.4 | Low | 61.5 | Low | 112 Ų | 112 | 97.8 Ų | 97.8 | 52% | 0.523 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | -32.2 | 160.6 | -77.3 | -175 | -30.3 | 0 | 0 | 110.7 | K1336 L1343 R1344 | K1336-Q1340 WeakPolarHBondContact O-CB 3.01Å; K1336-Q1340 WeakPolarHBondContact O-CG 3.35Å; K1336-Q1340 PolarHBondContact O-N 3.31Å; Q1340-L1343 PolarHBondContact O-N 2.99Å; Q1340-R1344 WeakPolarHBondContact O-CB 3.33Å; Q1340-R1344 WeakPolarHBondContact O-CG 3.29Å; Q1340-R1344 PolarHBondContact O-N 3.42Å |
| 1341 | L | 62.4 | Low | 61.4 | Low | 77 Ų | 77 | 95.9 Ų | 95.9 | 40% | 0.403 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.6 | -53.9 | 152.5 | -74.7 | 161.7 | 0 | 0 | 0 | 109 | L1337 S1338 L1343 R1344 Q1345 | L1337-L1341 WeakPolarHBondContact O-CA 3.48Å; L1337-L1341 WeakPolarHBondContact O-CB 3.22Å; L1337-L1341 WeakPolarHBondContact O-CD1 3.47Å; L1337-L1341 WeakPolarHBondContact O-CG 3.4Å; L1337-L1341 PolarHBondContact O-N 3.42Å; S1338-L1341 VanDerWaalsContact OG-CB 3.27Å; S1338-L1341 WeakPolarHBondContact OG-CB 3.49Å; L1341-L1343 CarbonylContact O-C 2.92Å; L1341-L1343 PolarHBondContact O-N 3.5Å; L1341-R1344 CarbonylContact O-C 3.49Å; L1341-R1344 VanDerWaalsContact O-C 3.32Å; L1341-R1344 WeakPolarHBondContact O-CA 3.33Å; L1341-R1344 PolarHBondContact O-N 2.94Å; L1341-Q1345 WeakPolarHBondContact O-CA 2.93Å; L1341-Q1345 WeakPolarHBondContact O-CB 3.32Å; L1341-Q1345 PolarHBondContact O-N 3.31Å |
| 1342 | Q | 62.2 | Low | 61.2 | Low | 88 Ų | 88 | 94.1 Ų | 94.1 | 41% | 0.411 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.5 | 8.3 | 161.6 | -61.6 | 172.1 | -7.6 | 0 | 0 | 116.1 | S1338 L1339 V1346 | S1338-Q1342 VanDerWaalsContact C-N 3.3Å; S1338-Q1342 WeakPolarHBondContact O-CB 2.93Å; S1338-Q1342 VanDerWaalsContact O-CD 3.3Å; S1338-Q1342 WeakPolarHBondContact O-CG 3.26Å; S1338-Q1342 PolarHBondContact O-N 2.87Å; S1338-Q1342 PolarHBondContact O-OE1 3.27Å; S1338-Q1342 PolarHBondContact OG-N 2.96Å; L1339-Q1342 HydrophobicContact CD2-CB 4.13Å; Q1342-V1346 VanDerWaalsContact O-CB 3.27Å; Q1342-V1346 WeakPolarHBondContact O-CB 2.88Å; Q1342-V1346 WeakPolarHBondContact O-CG2 3.39Å; Q1342-V1346 PolarHBondContact O-N 3.4Å |
| 1343 | L | 60.9 | Low | 61.2 | Low | 98 Ų | 98 | 92.1 Ų | 92.1 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -92.8 | -46.9 | 155.2 | -157.6 | 71.9 | 0 | 0 | 0 | 110.2 | L1339 Q1340 L1341 Q1345 V1346 E1347 | L1339-L1343 WeakPolarHBondContact O-CB 3.21Å; Q1340-L1343 PolarHBondContact O-N 2.99Å; L1341-L1343 CarbonylContact O-C 2.92Å; L1341-L1343 PolarHBondContact O-N 3.5Å; L1343-Q1345 PolarHBondContact O-N 2.98Å; L1343-V1346 CarbonylContact O-C 3.57Å; L1343-V1346 PolarHBondContact O-N 2.91Å; L1343-V1346 VanDerWaalsContact O-N 3.14Å; L1343-E1347 WeakPolarHBondContact O-CB 2.93Å; L1343-E1347 VanDerWaalsContact O-CG 3.27Å; L1343-E1347 WeakPolarHBondContact O-CG 2.98Å; L1343-E1347 PolarHBondContact O-N 3.16Å |
| 1344 | R | 59.8 | Low | 61 | Low | 124 Ų | 124 | 94.1 Ų | 94.1 | 47% | 0.468 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.6 | -21.4 | 171.1 | -80.6 | -178.2 | 160.9 | -163.2 | -10.1 | 115.2 | Q1340 L1341 E1347 E1348 | Q1340-R1344 WeakPolarHBondContact O-CB 3.33Å; Q1340-R1344 WeakPolarHBondContact O-CG 3.29Å; Q1340-R1344 PolarHBondContact O-N 3.42Å; L1341-R1344 CarbonylContact O-C 3.49Å; L1341-R1344 VanDerWaalsContact O-C 3.32Å; L1341-R1344 WeakPolarHBondContact O-CA 3.33Å; L1341-R1344 PolarHBondContact O-N 2.94Å; R1344-E1347 CarbonylContact O-C 2.95Å; R1344-E1348 WeakPolarHBondContact O-CA 3.07Å; R1344-E1348 VanDerWaalsContact O-CB 3.24Å; R1344-E1348 WeakPolarHBondContact O-CB 3.43Å; R1344-E1348 WeakPolarHBondContact O-CG 3.28Å; R1344-E1348 PolarHBondContact O-N 3.32Å |
| 1345 | Q | 61.6 | Low | 60.9 | Low | 85 Ų | 85 | 92.4 Ų | 92.4 | 40% | 0.397 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -106 | -8.7 | 179.3 | -169.7 | -174.7 | 24.2 | 0 | 0 | 109.2 | L1341 L1343 E1349 | L1341-Q1345 WeakPolarHBondContact O-CA 2.93Å; L1341-Q1345 WeakPolarHBondContact O-CB 3.32Å; L1341-Q1345 PolarHBondContact O-N 3.31Å; L1343-Q1345 PolarHBondContact O-N 2.98Å; Q1345-E1349 WeakPolarHBondContact O-CA 3.02Å; Q1345-E1349 WeakPolarHBondContact O-CB 2.95Å; Q1345-E1349 WeakPolarHBondContact O-CG 3.23Å; Q1345-E1349 PolarHBondContact O-N 2.58Å |
| 1346 | V | 63.6 | Low | 60.6 | Low | 78 Ų | 78 | 93.5 Ų | 93.5 | 47% | 0.473 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -84.5 | -20.8 | 149.4 | 166.7 | 0 | 0 | 0 | 0 | 111 | Q1342 L1343 R1350 | Q1342-V1346 VanDerWaalsContact O-CB 3.27Å; Q1342-V1346 WeakPolarHBondContact O-CB 2.88Å; Q1342-V1346 WeakPolarHBondContact O-CG2 3.39Å; Q1342-V1346 PolarHBondContact O-N 3.4Å; L1343-V1346 CarbonylContact O-C 3.57Å; L1343-V1346 PolarHBondContact O-N 2.91Å; L1343-V1346 VanDerWaalsContact O-N 3.14Å; V1346-R1350 VanDerWaalsContact O-CB 3.27Å; V1346-R1350 WeakPolarHBondContact O-CB 3.49Å; V1346-R1350 PolarHBondContact O-N 3.12Å |
| 1347 | E | 56.7 | Low | 60.5 | Low | 98 Ų | 98 | 91.7 Ų | 91.7 | 46% | 0.458 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -83.8 | -30.2 | 168.6 | -68.9 | 170 | 146.1 | 0 | 0 | 112.3 | L1343 R1344 R1350 E1351 | L1343-E1347 WeakPolarHBondContact O-CB 2.93Å; L1343-E1347 VanDerWaalsContact O-CG 3.27Å; L1343-E1347 WeakPolarHBondContact O-CG 2.98Å; L1343-E1347 PolarHBondContact O-N 3.16Å; R1344-E1347 CarbonylContact O-C 2.95Å; E1347-R1350 CarbonylContact O-C 3.59Å; E1347-R1350 WeakPolarHBondContact O-CA 3.13Å; E1347-R1350 VanDerWaalsContact O-CB 3.29Å; E1347-R1350 WeakPolarHBondContact O-CB 3.46Å; E1347-R1350 PolarHBondContact O-N 2.79Å; E1347-E1351 PolarHBondContact O-N 3.43Å; E1347-E1351 VanDerWaalsContact O-N 3.1Å |
| 1348 | E | 61.4 | Low | 60.4 | Low | 112 Ų | 112 | 91.3 Ų | 91.3 | 52% | 0.523 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -91.1 | -16.2 | 169.2 | -67.3 | 158.2 | 171.5 | 0 | 0 | 111.4 | R1344 R1350 E1351 T1352 | R1344-E1348 WeakPolarHBondContact O-CA 3.07Å; R1344-E1348 VanDerWaalsContact O-CB 3.24Å; R1344-E1348 WeakPolarHBondContact O-CB 3.43Å; R1344-E1348 WeakPolarHBondContact O-CG 3.28Å; R1344-E1348 PolarHBondContact O-N 3.32Å; E1348-R1350 VanDerWaalsContact C-N 3.32Å; E1348-E1351 CarbonylContact O-C 3.53Å; E1348-E1351 PolarHBondContact O-N 2.63Å; E1348-T1352 WeakPolarHBondContact O-CA 3.35Å; E1348-T1352 VanDerWaalsContact O-CB 3.3Å; E1348-T1352 WeakPolarHBondContact O-CB 3.11Å; E1348-T1352 WeakPolarHBondContact O-CG2 3.34Å; E1348-T1352 PolarHBondContact O-N 3.32Å; E1348-T1352 PolarHBondContact O-OG1 3.15Å |
| 1349 | E | 62 | Low | 60.1 | Low | 88 Ų | 88 | 93.2 Ų | 93.2 | 41% | 0.411 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -75.7 | -22.4 | 151.9 | -74.6 | 158 | -160.1 | 0 | 0 | 110.1 | Q1345 E1351 T1352 V1353 | Q1345-E1349 WeakPolarHBondContact O-CA 3.02Å; Q1345-E1349 WeakPolarHBondContact O-CB 2.95Å; Q1345-E1349 WeakPolarHBondContact O-CG 3.23Å; Q1345-E1349 PolarHBondContact O-N 2.58Å; E1349-E1351 PolarHBondContact O-N 2.86Å; E1349-T1352 WeakPolarHBondContact CA-OG1 3.28Å; E1349-V1353 HydrophobicContact CB-CG2 4.41Å; E1349-V1353 WeakPolarHBondContact O-CA 3.17Å; E1349-V1353 WeakPolarHBondContact O-CB 2.9Å; E1349-V1353 WeakPolarHBondContact O-CG2 3.38Å; E1349-V1353 PolarHBondContact O-N 2.63Å |
| 1350 | R | 58.5 | Low | 59.9 | Low | 149 Ų | 149 | 94.6 Ų | 94.6 | 56% | 0.562 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -74.9 | -13.4 | 166.3 | -157.7 | -144.6 | 67.9 | -133 | -6.5 | 112.5 | V1346 E1347 E1348 | V1346-R1350 VanDerWaalsContact O-CB 3.27Å; V1346-R1350 WeakPolarHBondContact O-CB 3.49Å; V1346-R1350 PolarHBondContact O-N 3.12Å; E1347-R1350 CarbonylContact O-C 3.59Å; E1347-R1350 WeakPolarHBondContact O-CA 3.13Å; E1347-R1350 VanDerWaalsContact O-CB 3.29Å; E1347-R1350 WeakPolarHBondContact O-CB 3.46Å; E1347-R1350 PolarHBondContact O-N 2.79Å; E1348-R1350 VanDerWaalsContact C-N 3.32Å |
| 1351 | E | 61.6 | Low | 59.7 | Low | 68 Ų | 68 | 93.5 Ų | 93.5 | 32% | 0.318 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -99.3 | -32.1 | 166.2 | -67.1 | -66.7 | 129.2 | 0 | 0 | 112.5 | E1347 E1348 E1349 K1354 D1355 | E1347-E1351 PolarHBondContact O-N 3.43Å; E1347-E1351 VanDerWaalsContact O-N 3.1Å; E1348-E1351 CarbonylContact O-C 3.53Å; E1348-E1351 PolarHBondContact O-N 2.63Å; E1349-E1351 PolarHBondContact O-N 2.86Å; E1351-K1354 CarbonylContact O-C 3.6Å; E1351-K1354 VanDerWaalsContact O-CA 3.28Å; E1351-K1354 WeakPolarHBondContact O-CA 3.31Å; E1351-K1354 WeakPolarHBondContact O-CB 3.34Å; E1351-K1354 PolarHBondContact O-N 3.27Å; E1351-K1354 VanDerWaalsContact O-N 3.13Å; E1351-K1354 IonicContact OE1-NZ 3.71Å; E1351-K1354 PolarHBondContact OE1-NZ 3.05Å; E1351-K1354 IonicContact OE2-NZ 3.25Å; E1351-K1354 PolarHBondContact OE2-NZ 3.49Å; E1351-D1355 PolarHBondContact O-N 3.42Å |
| 1352 | T | 60.8 | Low | 59.4 | Low | 65 Ų | 65 | 96.5 Ų | 96.5 | 40% | 0.399 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -93 | -11 | 178.4 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | E1348 E1349 K1354 D1355 S1356 | E1348-T1352 WeakPolarHBondContact O-CA 3.35Å; E1348-T1352 VanDerWaalsContact O-CB 3.3Å; E1348-T1352 WeakPolarHBondContact O-CB 3.11Å; E1348-T1352 WeakPolarHBondContact O-CG2 3.34Å; E1348-T1352 PolarHBondContact O-N 3.32Å; E1348-T1352 PolarHBondContact O-OG1 3.15Å; E1349-T1352 WeakPolarHBondContact CA-OG1 3.28Å; T1352-K1354 VanDerWaalsContact C-N 3.27Å; T1352-D1355 WeakPolarHBondContact CG2-OD2 3.5Å; T1352-S1356 VanDerWaalsContact O-CB 3.24Å; T1352-S1356 WeakPolarHBondContact O-CB 3Å; T1352-S1356 PolarHBondContact O-N 3.06Å; T1352-S1356 PolarHBondContact O-OG 2.91Å |
| 1353 | V | 60.8 | Low | 59.1 | Low | 93 Ų | 93 | 94.5 Ų | 94.5 | 56% | 0.564 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -77.8 | -18.1 | 154.4 | 176.5 | 0 | 0 | 0 | 0 | 110.3 | E1349 L1357 | E1349-V1353 HydrophobicContact CB-CG2 4.41Å; E1349-V1353 WeakPolarHBondContact O-CA 3.17Å; E1349-V1353 WeakPolarHBondContact O-CB 2.9Å; E1349-V1353 WeakPolarHBondContact O-CG2 3.38Å; E1349-V1353 PolarHBondContact O-N 2.63Å; V1353-L1357 WeakPolarHBondContact O-CB 3.42Å; V1353-L1357 PolarHBondContact O-N 3.48Å |
| 1354 | K | 57.5 | Low | 58.7 | Low | 102 Ų | 102 | 93.7 Ų | 93.7 | 44% | 0.443 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -75.1 | -45.9 | 165 | -132.9 | 170.3 | 129.6 | -154.7 | 0 | 109.5 | E1351 T1352 S1356 L1357 D1358 | E1351-K1354 CarbonylContact O-C 3.6Å; E1351-K1354 VanDerWaalsContact O-CA 3.28Å; E1351-K1354 WeakPolarHBondContact O-CA 3.31Å; E1351-K1354 WeakPolarHBondContact O-CB 3.34Å; E1351-K1354 PolarHBondContact O-N 3.27Å; E1351-K1354 VanDerWaalsContact O-N 3.13Å; E1351-K1354 IonicContact OE1-NZ 3.71Å; E1351-K1354 PolarHBondContact OE1-NZ 3.05Å; E1351-K1354 IonicContact OE2-NZ 3.25Å; E1351-K1354 PolarHBondContact OE2-NZ 3.49Å; T1352-K1354 VanDerWaalsContact C-N 3.27Å; K1354-S1356 VanDerWaalsContact C-N 3.27Å; K1354-S1356 PolarHBondContact O-N 2.88Å; K1354-L1357 CarbonylContact O-C 3.35Å; K1354-L1357 WeakPolarHBondContact O-CA 2.98Å; K1354-L1357 VanDerWaalsContact O-CB 3.28Å; K1354-L1357 WeakPolarHBondContact O-CB 3.38Å; K1354-L1357 PolarHBondContact O-N 2.96Å; K1354-L1357 VanDerWaalsContact O-N 3.1Å; K1354-D1358 PolarHBondContact O-N 3.32Å |
| 1355 | D | 58.8 | Low | 58.7 | Low | 94 Ų | 94 | 91 Ų | 91 | 50% | 0.503 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.6 | -29.8 | 171.4 | -56 | -28.4 | 0 | 0 | 0 | 112 | E1351 T1352 D1358 S1359 | E1351-D1355 PolarHBondContact O-N 3.42Å; T1352-D1355 WeakPolarHBondContact CG2-OD2 3.5Å; D1355-D1358 CarbonylContact O-C 3.58Å; D1355-D1358 PolarHBondContact O-N 2.97Å; D1355-S1359 PolarHBondContact O-N 2.8Å |
| 1356 | S | 60.4 | Low | 58.3 | Low | 61 Ų | 61 | 90.1 Ų | 90.1 | 43% | 0.427 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -74.4 | -32.1 | 171.4 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | T1352 K1354 D1358 S1359 E1360 | T1352-S1356 VanDerWaalsContact O-CB 3.24Å; T1352-S1356 WeakPolarHBondContact O-CB 3Å; T1352-S1356 PolarHBondContact O-N 3.06Å; T1352-S1356 PolarHBondContact O-OG 2.91Å; K1354-S1356 VanDerWaalsContact C-N 3.27Å; K1354-S1356 PolarHBondContact O-N 2.88Å; S1356-D1358 VanDerWaalsContact C-N 3.29Å; S1356-S1359 WeakPolarHBondContact CA-OG 3.44Å; S1356-S1359 CarbonylContact O-C 3.54Å; S1356-S1359 PolarHBondContact O-N 3.28Å; S1356-S1359 PolarHBondContact O-OG 3.45Å; S1356-E1360 PolarHBondContact O-N 2.86Å |
| 1357 | L | 57.5 | Low | 57.9 | Low | 106 Ų | 106 | 92 Ų | 92 | 56% | 0.555 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64 | -37.7 | 167.4 | 178.8 | 70 | 0 | 0 | 0 | 110.1 | V1353 K1354 S1359 E1360 E1361 | V1353-L1357 WeakPolarHBondContact O-CB 3.42Å; V1353-L1357 PolarHBondContact O-N 3.48Å; K1354-L1357 CarbonylContact O-C 3.35Å; K1354-L1357 WeakPolarHBondContact O-CA 2.98Å; K1354-L1357 VanDerWaalsContact O-CB 3.28Å; K1354-L1357 WeakPolarHBondContact O-CB 3.38Å; K1354-L1357 PolarHBondContact O-N 2.96Å; K1354-L1357 VanDerWaalsContact O-N 3.1Å; L1357-S1359 VanDerWaalsContact C-N 3.31Å; L1357-E1360 CarbonylContact O-C 3.37Å; L1357-E1360 WeakPolarHBondContact O-CB 3.33Å; L1357-E1360 PolarHBondContact O-N 2.69Å; L1357-E1361 VanDerWaalsContact O-CG 3.26Å; L1357-E1361 WeakPolarHBondContact O-CG 3.3Å; L1357-E1361 PolarHBondContact O-N 2.88Å |
| 1358 | D | 57.8 | Low | 57.9 | Low | 87 Ų | 87 | 91.1 Ų | 91.1 | 47% | 0.465 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.1 | -23.5 | 172.4 | -69.6 | 4 | 0 | 0 | 0 | 112.2 | K1354 D1355 S1356 E1361 Q1362 | K1354-D1358 PolarHBondContact O-N 3.32Å; D1355-D1358 CarbonylContact O-C 3.58Å; D1355-D1358 PolarHBondContact O-N 2.97Å; S1356-D1358 VanDerWaalsContact C-N 3.29Å; D1358-E1361 CarbonylContact O-C 3.58Å; D1358-E1361 WeakPolarHBondContact O-CB 3.36Å; D1358-E1361 PolarHBondContact O-N 2.89Å; D1358-Q1362 PolarHBondContact O-N 3.45Å |
| 1359 | S | 57.8 | Low | 57.7 | Low | 63 Ų | 63 | 93.6 Ų | 93.6 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -79.1 | -32.6 | 169.2 | 88.3 | 0 | 0 | 0 | 0 | 112.9 | D1355 S1356 L1357 E1361 Q1362 A1363 | D1355-S1359 PolarHBondContact O-N 2.8Å; S1356-S1359 WeakPolarHBondContact CA-OG 3.44Å; S1356-S1359 CarbonylContact O-C 3.54Å; S1356-S1359 PolarHBondContact O-N 3.28Å; S1356-S1359 PolarHBondContact O-OG 3.45Å; L1357-S1359 VanDerWaalsContact C-N 3.31Å; S1359-E1361 VanDerWaalsContact C-N 3.27Å; S1359-Q1362 CarbonylContact O-C 3.22Å; S1359-Q1362 WeakPolarHBondContact O-CA 3.43Å; S1359-Q1362 WeakPolarHBondContact O-CB 3.27Å; S1359-Q1362 PolarHBondContact O-N 2.81Å; S1359-Q1362 VanDerWaalsContact O-N 3.11Å; S1359-A1363 PolarHBondContact O-N 3.44Å |
| 1360 | E | 57 | Low | 57.4 | Low | 138 Ų | 138 | 95.9 Ų | 95.9 | 65% | 0.645 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.8 | -32.5 | 162.8 | -90.1 | -82.9 | 138.6 | 0 | 0 | 110 | S1356 L1357 Q1362 A1363 K1364 | S1356-E1360 PolarHBondContact O-N 2.86Å; L1357-E1360 CarbonylContact O-C 3.37Å; L1357-E1360 WeakPolarHBondContact O-CB 3.33Å; L1357-E1360 PolarHBondContact O-N 2.69Å; E1360-Q1362 VanDerWaalsContact C-N 3.27Å; E1360-Q1362 PolarHBondContact O-N 2.83Å; E1360-A1363 CarbonylContact O-C 3.59Å; E1360-A1363 PolarHBondContact O-N 2.93Å; E1360-K1364 VanDerWaalsContact O-CB 3.29Å; E1360-K1364 WeakPolarHBondContact O-CB 3.32Å; E1360-K1364 PolarHBondContact O-N 3.41Å |
| 1361 | E | 54.8 | Low | 57.2 | Low | 89 Ų | 89 | 92.5 Ų | 92.5 | 42% | 0.416 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -31.6 | 168.7 | -64.9 | -109.4 | 128.4 | 0 | 0 | 111.2 | L1357 D1358 S1359 K1364 T1365 | L1357-E1361 VanDerWaalsContact O-CG 3.26Å; L1357-E1361 WeakPolarHBondContact O-CG 3.3Å; L1357-E1361 PolarHBondContact O-N 2.88Å; D1358-E1361 CarbonylContact O-C 3.58Å; D1358-E1361 WeakPolarHBondContact O-CB 3.36Å; D1358-E1361 PolarHBondContact O-N 2.89Å; S1359-E1361 VanDerWaalsContact C-N 3.27Å; E1361-K1364 HydrophobicContact CB-CD 4.21Å; E1361-K1364 HydrophobicContact CG-CD 4.32Å; E1361-K1364 CarbonylContact O-C 3.3Å; E1361-K1364 VanDerWaalsContact O-CB 3.25Å; E1361-K1364 WeakPolarHBondContact O-CB 3.29Å; E1361-K1364 PolarHBondContact O-N 3.27Å; E1361-K1364 IonicContact OE1-NZ 2.8Å; E1361-K1364 PolarHBondContact OE1-NZ 3.17Å; E1361-K1364 IonicContact OE2-NZ 3.9Å; E1361-K1364 PolarHBondContact OE2-NZ 2.85Å; E1361-T1365 WeakPolarHBondContact O-CG2 3.4Å; E1361-T1365 PolarHBondContact O-N 3.34Å |
| 1362 | Q | 55.9 | Low | 57.3 | Low | 140 Ų | 140 | 94.7 Ų | 94.7 | 65% | 0.654 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -74.1 | -35.2 | 170 | -68.4 | -177.5 | 22.7 | 0 | 0 | 113.1 | D1358 S1359 E1360 K1364 T1365 A1366 | D1358-Q1362 PolarHBondContact O-N 3.45Å; S1359-Q1362 CarbonylContact O-C 3.22Å; S1359-Q1362 WeakPolarHBondContact O-CA 3.43Å; S1359-Q1362 WeakPolarHBondContact O-CB 3.27Å; S1359-Q1362 PolarHBondContact O-N 2.81Å; S1359-Q1362 VanDerWaalsContact O-N 3.11Å; E1360-Q1362 VanDerWaalsContact C-N 3.27Å; E1360-Q1362 PolarHBondContact O-N 2.83Å; Q1362-K1364 VanDerWaalsContact C-N 3.27Å; Q1362-K1364 PolarHBondContact O-N 3.32Å; Q1362-T1365 PolarHBondContact O-N 3.01Å; Q1362-T1365 PolarHBondContact O-OG1 3.27Å; Q1362-A1366 PolarHBondContact O-N 3.11Å |
| 1363 | A | 55.1 | Low | 57.2 | Low | 47 Ų | 47 | 94.7 Ų | 94.7 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -36.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1359 E1360 A1366 L1367 | S1359-A1363 PolarHBondContact O-N 3.44Å; E1360-A1363 CarbonylContact O-C 3.59Å; E1360-A1363 PolarHBondContact O-N 2.93Å; A1363-A1366 WeakPolarHBondContact O-CB 3.48Å; A1363-A1366 PolarHBondContact O-N 2.89Å; A1363-A1366 VanDerWaalsContact O-N 3.11Å; A1363-L1367 PolarHBondContact O-N 3.11Å |
| 1364 | K | 54.2 | Low | 56.9 | Low | 81 Ų | 81 | 94.8 Ų | 94.8 | 35% | 0.352 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -38.2 | 166.9 | 158.4 | -157.2 | 177.6 | -167.9 | 0 | 111.4 | E1360 E1361 Q1362 A1366 L1367 E1368 | E1360-K1364 VanDerWaalsContact O-CB 3.29Å; E1360-K1364 WeakPolarHBondContact O-CB 3.32Å; E1360-K1364 PolarHBondContact O-N 3.41Å; E1361-K1364 HydrophobicContact CB-CD 4.21Å; E1361-K1364 HydrophobicContact CG-CD 4.32Å; E1361-K1364 CarbonylContact O-C 3.3Å; E1361-K1364 VanDerWaalsContact O-CB 3.25Å; E1361-K1364 WeakPolarHBondContact O-CB 3.29Å; E1361-K1364 PolarHBondContact O-N 3.27Å; E1361-K1364 IonicContact OE1-NZ 2.8Å; E1361-K1364 PolarHBondContact OE1-NZ 3.17Å; E1361-K1364 IonicContact OE2-NZ 3.9Å; E1361-K1364 PolarHBondContact OE2-NZ 2.85Å; Q1362-K1364 VanDerWaalsContact C-N 3.27Å; Q1362-K1364 PolarHBondContact O-N 3.32Å; K1364-A1366 VanDerWaalsContact C-N 3.27Å; K1364-A1366 PolarHBondContact O-N 2.93Å; K1364-L1367 CarbonylContact O-C 3.44Å; K1364-L1367 WeakPolarHBondContact O-CA 3.48Å; K1364-L1367 WeakPolarHBondContact O-CB 3.39Å; K1364-L1367 PolarHBondContact O-N 3.27Å; K1364-L1367 VanDerWaalsContact O-N 3.12Å; K1364-E1368 WeakPolarHBondContact O-CG 3.29Å; K1364-E1368 PolarHBondContact O-N 3.2Å |
| 1365 | T | 57.8 | Low | 57 | Low | 67 Ų | 67 | 92.8 Ų | 92.8 | 41% | 0.411 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -29 | 171.2 | 75.3 | 0 | 0 | 0 | 0 | 113.7 | E1361 Q1362 E1368 K1369 | E1361-T1365 WeakPolarHBondContact O-CG2 3.4Å; E1361-T1365 PolarHBondContact O-N 3.34Å; Q1362-T1365 PolarHBondContact O-N 3.01Å; Q1362-T1365 PolarHBondContact O-OG1 3.27Å; T1365-E1368 PolarHBondContact O-N 3.25Å; T1365-K1369 PolarHBondContact O-N 2.79Å |
| 1366 | A | 55.1 | Low | 56.9 | Low | 67 Ų | 67 | 93.3 Ų | 93.3 | 55% | 0.554 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.2 | -36.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1362 A1363 K1364 E1368 K1369 | Q1362-A1366 PolarHBondContact O-N 3.11Å; A1363-A1366 WeakPolarHBondContact O-CB 3.48Å; A1363-A1366 PolarHBondContact O-N 2.89Å; A1363-A1366 VanDerWaalsContact O-N 3.11Å; K1364-A1366 VanDerWaalsContact C-N 3.27Å; K1364-A1366 PolarHBondContact O-N 2.93Å; A1366-E1368 VanDerWaalsContact C-N 3.35Å; A1366-K1369 PolarHBondContact O-N 3.1Å |
| 1367 | L | 54 | Low | 56.8 | Low | 117 Ų | 117 | 97.5 Ų | 97.5 | 61% | 0.613 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.1 | -31.1 | 167.7 | -80.1 | 161.2 | 0 | 0 | 0 | 112.5 | A1363 K1364 K1369 H1370 I1371 | A1363-L1367 PolarHBondContact O-N 3.11Å; K1364-L1367 CarbonylContact O-C 3.44Å; K1364-L1367 WeakPolarHBondContact O-CA 3.48Å; K1364-L1367 WeakPolarHBondContact O-CB 3.39Å; K1364-L1367 PolarHBondContact O-N 3.27Å; K1364-L1367 VanDerWaalsContact O-N 3.12Å; L1367-K1369 VanDerWaalsContact C-N 3.26Å; L1367-K1369 PolarHBondContact O-N 3.43Å; L1367-H1370 CarbonylContact O-C 3.46Å; L1367-H1370 VanDerWaalsContact O-CA 3.27Å; L1367-H1370 WeakPolarHBondContact O-CA 3.46Å; L1367-H1370 WeakPolarHBondContact O-CB 3.47Å; L1367-H1370 PolarHBondContact O-N 3Å; L1367-I1371 PolarHBondContact O-N 2.99Å |
| 1368 | E | 56.1 | Low | 56.7 | Low | 79 Ų | 79 | 97 Ų | 97 | 37% | 0.369 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -30 | 176.6 | -77.8 | 168.4 | 175 | 0 | 0 | 112 | K1364 T1365 A1366 H1370 I1371 I1372 | K1364-E1368 WeakPolarHBondContact O-CG 3.29Å; K1364-E1368 PolarHBondContact O-N 3.2Å; T1365-E1368 PolarHBondContact O-N 3.25Å; A1366-E1368 VanDerWaalsContact C-N 3.35Å; E1368-H1370 PolarHBondContact O-N 3.29Å; E1368-I1371 HydrophobicContact CG-CD1 4.04Å; E1368-I1371 CarbonylContact O-C 3.38Å; E1368-I1371 WeakPolarHBondContact O-CA 3.47Å; E1368-I1371 WeakPolarHBondContact O-CB 3.2Å; E1368-I1371 PolarHBondContact O-N 2.95Å; E1368-I1372 WeakPolarHBondContact O-CG1 3.1Å; E1368-I1372 PolarHBondContact O-N 3.18Å |
| 1369 | K | 58 | Low | 56.7 | Low | 164 Ų | 164 | 99.5 Ų | 99.5 | 71% | 0.713 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -24 | 168 | -69.5 | 174.2 | -176.6 | 169.3 | 0 | 112.8 | T1365 A1366 L1367 | T1365-K1369 PolarHBondContact O-N 2.79Å; A1366-K1369 PolarHBondContact O-N 3.1Å; L1367-K1369 VanDerWaalsContact C-N 3.26Å; L1367-K1369 PolarHBondContact O-N 3.43Å |
| 1370 | H | 55.9 | Low | 56.7 | Low | 137 Ų | 137 | 103.9 Ų | 103.9 | 63% | 0.634 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -85.7 | -28.7 | 169.1 | -145.2 | -44.7 | 0 | 0 | 0 | 112.7 | L1367 E1368 | L1367-H1370 CarbonylContact O-C 3.46Å; L1367-H1370 VanDerWaalsContact O-CA 3.27Å; L1367-H1370 WeakPolarHBondContact O-CA 3.46Å; L1367-H1370 WeakPolarHBondContact O-CB 3.47Å; L1367-H1370 PolarHBondContact O-N 3Å; E1368-H1370 PolarHBondContact O-N 3.29Å |
| 1371 | I | 54.7 | Low | 56.7 | Low | 77 Ų | 77 | 99.6 Ų | 99.6 | 40% | 0.395 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68 | -34.4 | 172.2 | -62.3 | 175.6 | 0 | 0 | 0 | 111.3 | L1367 E1368 A1373 L1374 T1375 | L1367-I1371 PolarHBondContact O-N 2.99Å; E1368-I1371 HydrophobicContact CG-CD1 4.04Å; E1368-I1371 CarbonylContact O-C 3.38Å; E1368-I1371 WeakPolarHBondContact O-CA 3.47Å; E1368-I1371 WeakPolarHBondContact O-CB 3.2Å; E1368-I1371 PolarHBondContact O-N 2.95Å; I1371-A1373 PolarHBondContact O-N 2.94Å; I1371-A1373 VanDerWaalsContact O-N 3.1Å; I1371-L1374 CarbonylContact O-C 3.52Å; I1371-L1374 WeakPolarHBondContact O-CA 3.44Å; I1371-L1374 WeakPolarHBondContact O-CB 3.28Å; I1371-L1374 PolarHBondContact O-N 2.9Å; I1371-T1375 PolarHBondContact O-N 3.37Å; I1371-T1375 PolarHBondContact O-OG1 3.45Å |
| 1372 | I | 63.7 | Low | 56.7 | Low | 114 Ų | 114 | 100.6 Ų | 100.6 | 59% | 0.585 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -52.5 | -36.3 | 177.4 | -75.3 | 170 | 0 | 0 | 0 | 112.3 | E1368 T1376 | E1368-I1372 WeakPolarHBondContact O-CG1 3.1Å; E1368-I1372 PolarHBondContact O-N 3.18Å; I1372-T1376 PolarHBondContact O-OG1 3.29Å |
| 1373 | A | 58.5 | Low | 56.8 | Low | 66 Ų | 66 | 102.2 Ų | 102.2 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.4 | -33.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1371 | I1371-A1373 PolarHBondContact O-N 2.94Å; I1371-A1373 VanDerWaalsContact O-N 3.1Å |
| 1374 | L | 53.4 | Low | 57 | Low | 94 Ų | 94 | 107.7 Ų | 107.7 | 49% | 0.492 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -83.9 | -28.9 | 177.1 | -78.7 | 161.5 | 0 | 0 | 0 | 113.3 | I1371 T1376 Q1377 M1378 | I1371-L1374 CarbonylContact O-C 3.52Å; I1371-L1374 WeakPolarHBondContact O-CA 3.44Å; I1371-L1374 WeakPolarHBondContact O-CB 3.28Å; I1371-L1374 PolarHBondContact O-N 2.9Å; L1374-T1376 PolarHBondContact O-N 3.06Å; L1374-Q1377 CarbonylContact O-C 3.4Å; L1374-Q1377 WeakPolarHBondContact O-CA 3.3Å; L1374-Q1377 PolarHBondContact O-N 3.25Å; L1374-M1378 PolarHBondContact O-N 3.27Å |
| 1375 | T | 59.9 | Low | 57.2 | Low | 61 Ų | 61 | 107.5 Ų | 107.5 | 37% | 0.374 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.3 | -33.7 | 177.8 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | I1371 Q1377 M1378 Q1379 | I1371-T1375 PolarHBondContact O-N 3.37Å; I1371-T1375 PolarHBondContact O-OG1 3.45Å; T1375-Q1377 VanDerWaalsContact C-N 3.27Å; T1375-Q1377 PolarHBondContact O-N 3.18Å; T1375-M1378 PolarHBondContact O-N 2.94Å; T1375-Q1379 PolarHBondContact O-N 2.96Å |
| 1376 | T | 58.2 | Low | 57.2 | Low | 105 Ų | 105 | 109.6 Ų | 109.6 | 64% | 0.644 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67 | -25.3 | 175.3 | -44.9 | 0 | 0 | 0 | 0 | 112.7 | I1372 L1374 | I1372-T1376 PolarHBondContact O-OG1 3.29Å; L1374-T1376 PolarHBondContact O-N 3.06Å |
| 1377 | Q | 58.2 | Low | 57.4 | Low | 148 Ų | 148 | 113.8 Ų | 113.8 | 69% | 0.692 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -91.7 | -25.5 | 172.2 | -64.7 | -175.3 | -6.7 | 0 | 0 | 112.4 | L1374 T1375 Q1379 | L1374-Q1377 CarbonylContact O-C 3.4Å; L1374-Q1377 WeakPolarHBondContact O-CA 3.3Å; L1374-Q1377 PolarHBondContact O-N 3.25Å; T1375-Q1377 VanDerWaalsContact C-N 3.27Å; T1375-Q1377 PolarHBondContact O-N 3.18Å; Q1377-Q1379 VanDerWaalsContact C-N 3.31Å; Q1377-Q1379 PolarHBondContact O-N 3.06Å |
| 1378 | M | 53.8 | Low | 57.6 | Low | 96 Ų | 96 | 113.5 Ų | 113.5 | 47% | 0.473 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69 | -22.4 | 175.9 | -75.5 | -171.5 | 72.1 | 0 | 0 | 114 | L1374 T1375 D1380 A1381 K1382 | L1374-M1378 PolarHBondContact O-N 3.27Å; T1375-M1378 PolarHBondContact O-N 2.94Å; M1378-D1380 PolarHBondContact O-N 2.92Å; M1378-A1381 PolarHBondContact O-N 3.09Å; M1378-A1381 VanDerWaalsContact O-N 3.14Å; M1378-K1382 WeakPolarHBondContact O-CB 3.38Å; M1378-K1382 WeakPolarHBondContact O-CG 3.3Å; M1378-K1382 PolarHBondContact O-N 2.96Å |
| 1379 | Q | 58.8 | Low | 57.8 | Low | 139 Ų | 139 | 112.9 Ų | 112.9 | 65% | 0.65 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.5 | -36.6 | -177 | -76.5 | -175.2 | -10.5 | 0 | 0 | 113.4 | T1375 Q1377 | T1375-Q1379 PolarHBondContact O-N 2.96Å; Q1377-Q1379 VanDerWaalsContact C-N 3.31Å; Q1377-Q1379 PolarHBondContact O-N 3.06Å |
| 1380 | D | 57.9 | Low | 58 | Low | 156 Ų | 156 | 111 Ų | 111 | 83% | 0.834 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -78.7 | -21.2 | 173.3 | -75.9 | -31.7 | 0 | 0 | 0 | 113.1 | M1378 | M1378-D1380 PolarHBondContact O-N 2.92Å |
| 1381 | A | 55.8 | Low | 58.3 | Low | 47 Ų | 47 | 110.9 Ų | 110.9 | 39% | 0.388 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -83.3 | -36.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1378 K1383 K1384 V1385 | M1378-A1381 PolarHBondContact O-N 3.09Å; M1378-A1381 VanDerWaalsContact O-N 3.14Å; A1381-K1383 VanDerWaalsContact C-N 3.34Å; A1381-K1383 PolarHBondContact O-N 3.23Å; A1381-K1384 PolarHBondContact O-N 3.1Å; A1381-V1385 PolarHBondContact O-N 3.38Å; A1381-V1385 VanDerWaalsContact O-N 3.08Å |
| 1382 | K | 55.8 | Low | 58.7 | Low | 110 Ų | 110 | 112.4 Ų | 112.4 | 48% | 0.478 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -53.3 | -47 | -175.2 | -93.6 | -168.5 | 170.1 | -163.7 | 0 | 112.8 | M1378 K1384 V1385 E1386 | M1378-K1382 WeakPolarHBondContact O-CB 3.38Å; M1378-K1382 WeakPolarHBondContact O-CG 3.3Å; M1378-K1382 PolarHBondContact O-N 2.96Å; K1382-K1384 PolarHBondContact O-N 2.92Å; K1382-V1385 PolarHBondContact O-N 2.85Å; K1382-V1385 VanDerWaalsContact O-N 3.1Å; K1382-E1386 WeakPolarHBondContact O-CB 3.45Å; K1382-E1386 VanDerWaalsContact O-CG 3.27Å; K1382-E1386 WeakPolarHBondContact O-CG 3.31Å; K1382-E1386 PolarHBondContact O-N 3.25Å |
| 1383 | K | 57.9 | Low | 58.7 | Low | 175 Ų | 175 | 112.7 Ų | 112.7 | 76% | 0.761 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.8 | -7.3 | 178 | -95.3 | -172.9 | 174.3 | -179.8 | 0 | 115.9 | A1381 | A1381-K1383 VanDerWaalsContact C-N 3.34Å; A1381-K1383 PolarHBondContact O-N 3.23Å |
| 1384 | K | 58.8 | Low | 59.1 | Low | 161 Ų | 161 | 113.5 Ų | 113.5 | 70% | 0.7 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -112.4 | -32.6 | 174 | -133.8 | 178.5 | -176.5 | -175.5 | 0 | 112.5 | A1381 K1382 | A1381-K1384 PolarHBondContact O-N 3.1Å; K1382-K1384 PolarHBondContact O-N 2.92Å |
| 1385 | V | 58.7 | Low | 59.7 | Low | 78 Ų | 78 | 114.6 Ų | 114.6 | 47% | 0.473 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.2 | -35.3 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | A1381 K1382 E1387 D1388 T1389 | A1381-V1385 PolarHBondContact O-N 3.38Å; A1381-V1385 VanDerWaalsContact O-N 3.08Å; K1382-V1385 PolarHBondContact O-N 2.85Å; K1382-V1385 VanDerWaalsContact O-N 3.1Å; V1385-E1387 VanDerWaalsContact C-N 3.29Å; V1385-E1387 PolarHBondContact O-N 3.25Å; V1385-D1388 PolarHBondContact O-N 2.86Å; V1385-T1389 HydrophobicContact CG1-CG2 3.74Å; V1385-T1389 WeakPolarHBondContact O-CG2 3.35Å; V1385-T1389 PolarHBondContact O-N 3.37Å; V1385-T1389 PolarHBondContact O-OG1 2.91Å |
| 1386 | E | 58.2 | Low | 60.1 | Low | 111 Ų | 111 | 115.7 Ų | 115.7 | 52% | 0.519 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.3 | -29.7 | -177.4 | -76.2 | 162.4 | -173.2 | 0 | 0 | 113.7 | K1382 T1389 | K1382-E1386 WeakPolarHBondContact O-CB 3.45Å; K1382-E1386 VanDerWaalsContact O-CG 3.27Å; K1382-E1386 WeakPolarHBondContact O-CG 3.31Å; K1382-E1386 PolarHBondContact O-N 3.25Å; E1386-T1389 WeakPolarHBondContact CA-OG1 3.18Å; E1386-T1389 PolarHBondContact O-OG1 3.46Å |
| 1387 | E | 58.3 | Low | 60.7 | Low | 154 Ų | 154 | 115.7 Ų | 115.7 | 72% | 0.72 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -78.8 | -42.3 | 172.9 | -65.3 | -173.1 | 147.6 | 0 | 0 | 112 | V1385 | V1385-E1387 VanDerWaalsContact C-N 3.29Å; V1385-E1387 PolarHBondContact O-N 3.25Å |
| 1388 | D | 58.6 | Low | 61.5 | Low | 112 Ų | 112 | 110.8 Ų | 110.8 | 60% | 0.599 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.1 | -34.7 | 179.1 | -81.4 | -30 | 0 | 0 | 0 | 112.7 | V1385 H1390 H1391 L1392 | V1385-D1388 PolarHBondContact O-N 2.86Å; D1388-H1390 VanDerWaalsContact C-N 3.34Å; D1388-H1390 PolarHBondContact O-N 3.22Å; D1388-H1391 PolarHBondContact O-N 3.22Å; D1388-L1392 PolarHBondContact O-N 3.33Å; D1388-L1392 VanDerWaalsContact O-N 3.07Å |
| 1389 | T | 60.5 | Low | 62.5 | Low | 65 Ų | 65 | 113.8 Ų | 113.8 | 40% | 0.399 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.7 | -37.8 | -178.9 | 39 | 0 | 0 | 0 | 0 | 112.9 | V1385 E1386 H1391 L1392 E1393 | V1385-T1389 HydrophobicContact CG1-CG2 3.74Å; V1385-T1389 WeakPolarHBondContact O-CG2 3.35Å; V1385-T1389 PolarHBondContact O-N 3.37Å; V1385-T1389 PolarHBondContact O-OG1 2.91Å; E1386-T1389 WeakPolarHBondContact CA-OG1 3.18Å; E1386-T1389 PolarHBondContact O-OG1 3.46Å; T1389-H1391 VanDerWaalsContact C-N 3.33Å; T1389-H1391 PolarHBondContact O-N 2.89Å; T1389-L1392 WeakPolarHBondContact O-CA 3.35Å; T1389-L1392 WeakPolarHBondContact O-CB 3.19Å; T1389-L1392 PolarHBondContact O-N 3.09Å; T1389-L1392 VanDerWaalsContact O-N 3.08Å; T1389-E1393 PolarHBondContact O-N 2.9Å |
| 1390 | H | 62.7 | Low | 63.4 | Low | 126 Ų | 126 | 111.7 Ų | 111.7 | 58% | 0.583 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.8 | -31.2 | -177.1 | -154.9 | 40.5 | 0 | 0 | 0 | 111.7 | D1388 E1393 T1394 | D1388-H1390 VanDerWaalsContact C-N 3.34Å; D1388-H1390 PolarHBondContact O-N 3.22Å; H1390-E1393 IonicContact CE1-OE2 3.18Å; H1390-E1393 IonicContact CG-OE2 3.27Å; H1390-E1393 IonicContact ND1-OE2 3.69Å; H1390-E1393 PolarHBondContact ND1-OE2 2.64Å; H1390-T1394 WeakPolarHBondContact O-CG2 3.4Å; H1390-T1394 PolarHBondContact O-N 3.13Å |
| 1391 | H | 63 | Low | 64.3 | Low | 133 Ų | 133 | 111 Ų | 111 | 62% | 0.616 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.4 | -38.4 | 167.1 | -79.3 | -35.9 | 0 | 0 | 0 | 112.3 | D1388 T1389 T1394 L1395 | D1388-H1391 PolarHBondContact O-N 3.22Å; T1389-H1391 VanDerWaalsContact C-N 3.33Å; T1389-H1391 PolarHBondContact O-N 2.89Å; H1391-T1394 PolarHBondContact O-N 3.1Å; H1391-T1394 PolarHBondContact O-OG1 3.35Å; H1391-L1395 PolarHBondContact O-N 3.45Å; H1391-L1395 VanDerWaalsContact O-N 3.1Å |
| 1392 | L | 61.4 | Low | 65.2 | Low | 109 Ų | 109 | 114.1 Ų | 114.1 | 57% | 0.571 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65 | -40.4 | 177.4 | -129 | 164.6 | 0 | 0 | 0 | 112.4 | D1388 T1389 L1395 E1396 | D1388-L1392 PolarHBondContact O-N 3.33Å; D1388-L1392 VanDerWaalsContact O-N 3.07Å; T1389-L1392 WeakPolarHBondContact O-CA 3.35Å; T1389-L1392 WeakPolarHBondContact O-CB 3.19Å; T1389-L1392 PolarHBondContact O-N 3.09Å; T1389-L1392 VanDerWaalsContact O-N 3.08Å; L1392-L1395 PolarHBondContact O-N 2.76Å; L1392-E1396 HydrophobicContact CD2-CG 4.4Å; L1392-E1396 PolarHBondContact O-N 2.87Å |
| 1393 | E | 63.7 | Low | 66.3 | Low | 120 Ų | 120 | 113.6 Ų | 113.6 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -57.9 | -47.9 | 171.6 | -71.4 | 179.3 | 134.9 | 0 | 0 | 112 | T1389 H1390 L1395 E1396 D1397 | T1389-E1393 PolarHBondContact O-N 2.9Å; H1390-E1393 IonicContact CE1-OE2 3.18Å; H1390-E1393 IonicContact CG-OE2 3.27Å; H1390-E1393 IonicContact ND1-OE2 3.69Å; H1390-E1393 PolarHBondContact ND1-OE2 2.64Å; E1393-L1395 PolarHBondContact O-N 2.82Å; E1393-E1396 WeakPolarHBondContact O-CB 3.33Å; E1393-E1396 PolarHBondContact O-N 2.81Å; E1393-D1397 PolarHBondContact O-N 2.75Å |
| 1394 | T | 68 | Low | 67.3 | Low | 84 Ų | 84 | 113.7 Ų | 113.7 | 52% | 0.515 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.3 | -29.2 | 178.8 | 61.7 | 0 | 0 | 0 | 0 | 113.1 | H1390 H1391 A1398 | H1390-T1394 WeakPolarHBondContact O-CG2 3.4Å; H1390-T1394 PolarHBondContact O-N 3.13Å; H1391-T1394 PolarHBondContact O-N 3.1Å; H1391-T1394 PolarHBondContact O-OG1 3.35Å; T1394-A1398 VanDerWaalsContact O-CB 3.27Å; T1394-A1398 WeakPolarHBondContact O-CB 3.33Å; T1394-A1398 PolarHBondContact O-N 2.83Å |
| 1395 | L | 65.7 | Low | 68.2 | Low | 117 Ų | 117 | 111.4 Ų | 111.4 | 61% | 0.613 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -77 | -37 | 173.8 | -78.4 | 167.1 | 0 | 0 | 0 | 112.8 | H1391 L1392 E1393 R1399 | H1391-L1395 PolarHBondContact O-N 3.45Å; H1391-L1395 VanDerWaalsContact O-N 3.1Å; L1392-L1395 PolarHBondContact O-N 2.76Å; E1393-L1395 PolarHBondContact O-N 2.82Å; L1395-R1399 VanDerWaalsContact O-CB 3.27Å; L1395-R1399 WeakPolarHBondContact O-CB 3.33Å; L1395-R1399 PolarHBondContact O-N 3.2Å |
| 1396 | E | 68.4 | Low | 69.1 | Low | 83 Ų | 83 | 111.8 Ų | 111.8 | 39% | 0.388 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 172 | -85.8 | -107 | 130.5 | 0 | 0 | 111.7 | L1392 E1393 R1399 K1400 | L1392-E1396 HydrophobicContact CD2-CG 4.4Å; L1392-E1396 PolarHBondContact O-N 2.87Å; E1393-E1396 WeakPolarHBondContact O-CB 3.33Å; E1393-E1396 PolarHBondContact O-N 2.81Å; E1396-R1399 PolarHBondContact O-N 2.97Å; E1396-K1400 WeakPolarHBondContact O-CB 3.46Å; E1396-K1400 VanDerWaalsContact O-CG 3.28Å; E1396-K1400 WeakPolarHBondContact O-CG 3.04Å; E1396-K1400 PolarHBondContact O-N 2.8Å; E1396-K1400 WeakPolarHBondContact OE2-CE 3.11Å; E1396-K1400 IonicContact OE2-NZ 3.36Å; E1396-K1400 PolarHBondContact OE2-NZ 3.22Å |
| 1397 | D | 71.4 | Confident | 70.3 | Confident | 106 Ų | 106 | 109.1 Ų | 109.1 | 57% | 0.567 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -72.5 | -35.9 | 178.3 | -107.9 | 18.8 | 0 | 0 | 0 | 112.6 | E1393 R1399 K1400 K1401 | E1393-D1397 PolarHBondContact O-N 2.75Å; D1397-R1399 VanDerWaalsContact C-N 3.33Å; D1397-K1400 PolarHBondContact O-N 2.82Å; D1397-K1401 PolarHBondContact O-N 3.31Å |
| 1398 | A | 73.6 | Confident | 71.4 | Confident | 44 Ų | 44 | 106.8 Ų | 106.8 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T1394 K1401 L1402 | T1394-A1398 VanDerWaalsContact O-CB 3.27Å; T1394-A1398 WeakPolarHBondContact O-CB 3.33Å; T1394-A1398 PolarHBondContact O-N 2.83Å; A1398-K1401 PolarHBondContact O-N 2.79Å; A1398-L1402 WeakPolarHBondContact O-CB 3.1Å; A1398-L1402 WeakPolarHBondContact O-CG 3.45Å; A1398-L1402 PolarHBondContact O-N 3.11Å |
| 1399 | R | 76.2 | Confident | 72.3 | Confident | 159 Ų | 159 | 105.5 Ų | 105.5 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.8 | -43.4 | 174.4 | 178.8 | -178.7 | 170.2 | -168.7 | -3 | 112 | L1395 E1396 D1397 K1401 L1402 Q1403 | L1395-R1399 VanDerWaalsContact O-CB 3.27Å; L1395-R1399 WeakPolarHBondContact O-CB 3.33Å; L1395-R1399 PolarHBondContact O-N 3.2Å; E1396-R1399 PolarHBondContact O-N 2.97Å; D1397-R1399 VanDerWaalsContact C-N 3.33Å; R1399-K1401 VanDerWaalsContact C-N 3.32Å; R1399-K1401 PolarHBondContact O-N 2.78Å; R1399-L1402 PolarHBondContact O-N 2.87Å; R1399-Q1403 WeakPolarHBondContact O-CB 3.31Å; R1399-Q1403 PolarHBondContact O-N 2.84Å |
| 1400 | K | 76.1 | Confident | 73.3 | Confident | 96 Ų | 96 | 108.8 Ų | 108.8 | 42% | 0.417 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -35.5 | 176.4 | -73 | 161.6 | -169 | 156.8 | 0 | 111.6 | E1396 D1397 R1404 | E1396-K1400 WeakPolarHBondContact O-CB 3.46Å; E1396-K1400 VanDerWaalsContact O-CG 3.28Å; E1396-K1400 WeakPolarHBondContact O-CG 3.04Å; E1396-K1400 PolarHBondContact O-N 2.8Å; E1396-K1400 WeakPolarHBondContact OE2-CE 3.11Å; E1396-K1400 IonicContact OE2-NZ 3.36Å; E1396-K1400 PolarHBondContact OE2-NZ 3.22Å; D1397-K1400 PolarHBondContact O-N 2.82Å; K1400-R1404 VanDerWaalsContact O-CG 3.31Å; K1400-R1404 WeakPolarHBondContact O-CG 3.32Å; K1400-R1404 PolarHBondContact O-N 3.44Å; K1400-R1404 VanDerWaalsContact O-N 3.13Å |
| 1401 | K | 77.8 | Confident | 74.2 | Confident | 141 Ų | 141 | 107.1 Ų | 107.1 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.3 | -55.6 | 169.3 | -86.4 | -176.1 | 172.9 | 177.3 | 0 | 112.5 | D1397 A1398 R1399 Q1403 R1404 E1405 | D1397-K1401 PolarHBondContact O-N 3.31Å; A1398-K1401 PolarHBondContact O-N 2.79Å; R1399-K1401 VanDerWaalsContact C-N 3.32Å; R1399-K1401 PolarHBondContact O-N 2.78Å; K1401-Q1403 PolarHBondContact O-N 3.18Å; K1401-R1404 WeakPolarHBondContact O-CB 3.42Å; K1401-R1404 PolarHBondContact O-N 3.05Å; K1401-R1404 VanDerWaalsContact O-N 3.08Å; K1401-E1405 WeakPolarHBondContact O-CG 3.2Å; K1401-E1405 PolarHBondContact O-N 3.02Å |
| 1402 | L | 74.5 | Confident | 75.2 | Confident | 112 Ų | 112 | 108.7 Ų | 108.7 | 59% | 0.586 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -58.4 | -35.5 | -179.7 | -80 | 166.8 | 0 | 0 | 0 | 112.5 | A1398 R1399 L1406 | A1398-L1402 WeakPolarHBondContact O-CB 3.1Å; A1398-L1402 WeakPolarHBondContact O-CG 3.45Å; A1398-L1402 PolarHBondContact O-N 3.11Å; R1399-L1402 PolarHBondContact O-N 2.87Å; L1402-L1406 VanDerWaalsContact O-CB 3.26Å; L1402-L1406 WeakPolarHBondContact O-CB 3.36Å; L1402-L1406 PolarHBondContact O-N 2.92Å |
| 1403 | Q | 78.3 | Confident | 76 | Confident | 100 Ų | 100 | 108.5 Ų | 108.5 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.9 | -38.3 | 176.5 | -169.6 | 161.8 | -17.5 | 0 | 0 | 112.2 | R1399 K1401 L1406 D1407 | R1399-Q1403 WeakPolarHBondContact O-CB 3.31Å; R1399-Q1403 PolarHBondContact O-N 2.84Å; K1401-Q1403 PolarHBondContact O-N 3.18Å; Q1403-L1406 PolarHBondContact O-N 3.27Å; Q1403-D1407 WeakPolarHBondContact O-CB 3.2Å; Q1403-D1407 PolarHBondContact O-N 2.67Å |
| 1404 | R | 78.6 | Confident | 76.9 | Confident | 177 Ų | 177 | 108.9 Ų | 108.9 | 67% | 0.668 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.3 | -45.3 | 169.4 | -75.5 | 173.3 | -178.9 | 161.1 | 2.2 | 111.8 | K1400 K1401 L1406 D1407 D1408 | K1400-R1404 VanDerWaalsContact O-CG 3.31Å; K1400-R1404 WeakPolarHBondContact O-CG 3.32Å; K1400-R1404 PolarHBondContact O-N 3.44Å; K1400-R1404 VanDerWaalsContact O-N 3.13Å; K1401-R1404 WeakPolarHBondContact O-CB 3.42Å; K1401-R1404 PolarHBondContact O-N 3.05Å; K1401-R1404 VanDerWaalsContact O-N 3.08Å; R1404-L1406 VanDerWaalsContact C-N 3.29Å; R1404-L1406 PolarHBondContact O-N 2.96Å; R1404-D1407 PolarHBondContact O-N 3.01Å; R1404-D1408 VanDerWaalsContact O-CB 3.28Å; R1404-D1408 WeakPolarHBondContact O-CB 3.41Å; R1404-D1408 PolarHBondContact O-N 3.28Å |
| 1405 | E | 78.5 | Confident | 77.6 | Confident | 113 Ų | 113 | 110.4 Ų | 110.4 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.5 | -35.2 | 176.4 | -71.2 | 172.1 | -169.6 | 0 | 0 | 112.2 | K1401 T1409 | K1401-E1405 WeakPolarHBondContact O-CG 3.2Å; K1401-E1405 PolarHBondContact O-N 3.02Å; E1405-T1409 WeakPolarHBondContact O-CB 3.07Å; E1405-T1409 VanDerWaalsContact O-CG2 3.31Å; E1405-T1409 WeakPolarHBondContact O-CG2 3.2Å; E1405-T1409 PolarHBondContact O-N 3.42Å; E1405-T1409 PolarHBondContact O-OG1 3.38Å |
| 1406 | L | 78 | Confident | 78.4 | Confident | 85 Ų | 85 | 108.9 Ų | 108.9 | 45% | 0.445 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.9 | -39.2 | 176.7 | -165.1 | 151.9 | 0 | 0 | 0 | 112.1 | L1402 Q1403 R1404 T1409 R1410 | L1402-L1406 VanDerWaalsContact O-CB 3.26Å; L1402-L1406 WeakPolarHBondContact O-CB 3.36Å; L1402-L1406 PolarHBondContact O-N 2.92Å; Q1403-L1406 PolarHBondContact O-N 3.27Å; R1404-L1406 VanDerWaalsContact C-N 3.29Å; R1404-L1406 PolarHBondContact O-N 2.96Å; L1406-T1409 WeakPolarHBondContact CA-OG1 3.32Å; L1406-T1409 PolarHBondContact O-OG1 3.34Å; L1406-T1409 VanDerWaalsContact O-OG1 3.1Å; L1406-R1410 HydrophobicContact CD2-CG 4.41Å; L1406-R1410 VanDerWaalsContact CD2-NH1 3.29Å; L1406-R1410 WeakPolarHBondContact O-CG 2.97Å; L1406-R1410 PolarHBondContact O-N 3.13Å |
| 1407 | D | 82.7 | Confident | 79.3 | Confident | 55 Ų | 55 | 109.1 Ų | 109.1 | 29% | 0.294 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -76.8 | -34.1 | 177.1 | -67 | -31.6 | 0 | 0 | 0 | 111.8 | Q1403 R1404 R1410 N1411 | Q1403-D1407 WeakPolarHBondContact O-CB 3.2Å; Q1403-D1407 PolarHBondContact O-N 2.67Å; R1404-D1407 PolarHBondContact O-N 3.01Å; D1407-R1410 WeakPolarHBondContact O-CB 3.5Å; D1407-R1410 PolarHBondContact O-N 3.09Å; D1407-R1410 IonicContact OD1-CZ 2.74Å; D1407-R1410 IonicContact OD1-NH1 3.21Å; D1407-R1410 PolarHBondContact OD1-NH1 3.4Å; D1407-N1411 WeakPolarHBondContact O-CB 3.44Å; D1407-N1411 PolarHBondContact O-N 3.12Å; D1407-N1411 PolarHBondContact O-ND2 2.96Å; D1407-N1411 VanDerWaalsContact O-ND2 3.15Å |
| 1408 | D | 81.5 | Confident | 79.8 | Confident | 106 Ų | 106 | 106 Ų | 106 | 57% | 0.567 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.8 | -40.6 | 169.1 | -78.6 | -24.2 | 0 | 0 | 0 | 111.9 | R1404 N1411 R1412 | R1404-D1408 VanDerWaalsContact O-CB 3.28Å; R1404-D1408 WeakPolarHBondContact O-CB 3.41Å; R1404-D1408 PolarHBondContact O-N 3.28Å; D1408-N1411 PolarHBondContact O-N 3.34Å; D1408-R1412 VanDerWaalsContact O-CB 3.31Å; D1408-R1412 WeakPolarHBondContact O-CB 3.19Å; D1408-R1412 PolarHBondContact O-N 3.29Å |
| 1409 | T | 78.5 | Confident | 80.2 | Confident | 84 Ų | 84 | 108.6 Ų | 108.6 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.6 | -27.5 | 175.3 | 49.7 | 0 | 0 | 0 | 0 | 113.1 | E1405 L1406 N1413 | E1405-T1409 WeakPolarHBondContact O-CB 3.07Å; E1405-T1409 VanDerWaalsContact O-CG2 3.31Å; E1405-T1409 WeakPolarHBondContact O-CG2 3.2Å; E1405-T1409 PolarHBondContact O-N 3.42Å; E1405-T1409 PolarHBondContact O-OG1 3.38Å; L1406-T1409 WeakPolarHBondContact CA-OG1 3.32Å; L1406-T1409 PolarHBondContact O-OG1 3.34Å; L1406-T1409 VanDerWaalsContact O-OG1 3.1Å; T1409-N1413 WeakPolarHBondContact O-CB 3.43Å; T1409-N1413 PolarHBondContact O-N 2.9Å |
| 1410 | R | 80.7 | Confident | 80.6 | Confident | 134 Ų | 134 | 105.1 Ų | 105.1 | 51% | 0.506 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -54.9 | 165.2 | -82.2 | 175.6 | 171.4 | 147.3 | -4.5 | 111.5 | L1406 D1407 R1412 N1413 E1414 | L1406-R1410 HydrophobicContact CD2-CG 4.41Å; L1406-R1410 VanDerWaalsContact CD2-NH1 3.29Å; L1406-R1410 WeakPolarHBondContact O-CG 2.97Å; L1406-R1410 PolarHBondContact O-N 3.13Å; D1407-R1410 WeakPolarHBondContact O-CB 3.5Å; D1407-R1410 PolarHBondContact O-N 3.09Å; D1407-R1410 IonicContact OD1-CZ 2.74Å; D1407-R1410 IonicContact OD1-NH1 3.21Å; D1407-R1410 PolarHBondContact OD1-NH1 3.4Å; R1410-R1412 PolarHBondContact O-N 2.6Å; R1410-N1413 CarbonylContact O-C 3.07Å; R1410-N1413 WeakPolarHBondContact O-CA 3.05Å; R1410-N1413 WeakPolarHBondContact O-CB 3.26Å; R1410-N1413 PolarHBondContact O-N 2.89Å; R1410-E1414 PolarHBondContact O-N 3.41Å |
| 1411 | N | 82.4 | Confident | 80.9 | Confident | 92 Ų | 92 | 105.2 Ų | 105.2 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -52.8 | -44.6 | 178.7 | -70.1 | -28.1 | 0 | 0 | 0 | 110.7 | D1407 D1408 N1413 E1414 E1415 | D1407-N1411 WeakPolarHBondContact O-CB 3.44Å; D1407-N1411 PolarHBondContact O-N 3.12Å; D1407-N1411 PolarHBondContact O-ND2 2.96Å; D1407-N1411 VanDerWaalsContact O-ND2 3.15Å; D1408-N1411 PolarHBondContact O-N 3.34Å; N1411-N1413 PolarHBondContact O-N 2.67Å; N1411-E1414 PolarHBondContact O-N 2.87Å; N1411-E1415 WeakPolarHBondContact O-CG 3.26Å; N1411-E1415 PolarHBondContact O-N 3.36Å |
| 1412 | R | 82.8 | Confident | 81 | Confident | 166 Ų | 166 | 104.9 Ų | 104.9 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.4 | -34 | 176.5 | -163 | 175.7 | -167.7 | 82.3 | -0.2 | 113.5 | D1408 R1410 L1416 | D1408-R1412 VanDerWaalsContact O-CB 3.31Å; D1408-R1412 WeakPolarHBondContact O-CB 3.19Å; D1408-R1412 PolarHBondContact O-N 3.29Å; R1410-R1412 PolarHBondContact O-N 2.6Å; R1412-L1416 WeakPolarHBondContact O-CB 3.37Å; R1412-L1416 WeakPolarHBondContact O-CD1 3.42Å; R1412-L1416 VanDerWaalsContact O-CG 3.23Å; R1412-L1416 WeakPolarHBondContact O-CG 3.29Å; R1412-L1416 PolarHBondContact O-N 2.91Å |
| 1413 | N | 78.5 | Confident | 81.3 | Confident | 105 Ų | 105 | 105.3 Ų | 105.3 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.6 | -41.2 | 171.8 | -103.7 | -31.4 | 0 | 0 | 0 | 111.8 | T1409 R1410 N1411 L1416 V1417 | T1409-N1413 WeakPolarHBondContact O-CB 3.43Å; T1409-N1413 PolarHBondContact O-N 2.9Å; R1410-N1413 CarbonylContact O-C 3.07Å; R1410-N1413 WeakPolarHBondContact O-CA 3.05Å; R1410-N1413 WeakPolarHBondContact O-CB 3.26Å; R1410-N1413 PolarHBondContact O-N 2.89Å; N1411-N1413 PolarHBondContact O-N 2.67Å; N1413-L1416 PolarHBondContact O-N 3.42Å; N1413-V1417 WeakPolarHBondContact O-CB 3.2Å; N1413-V1417 WeakPolarHBondContact O-CG2 3.43Å; N1413-V1417 PolarHBondContact O-N 3.2Å |
| 1414 | E | 82.8 | Confident | 81.4 | Confident | 128 Ų | 128 | 105.2 Ų | 105.2 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.2 | -37.6 | 176.7 | -70 | -177 | -165.2 | 0 | 0 | 111.7 | R1410 N1411 S1418 | R1410-E1414 PolarHBondContact O-N 3.41Å; N1411-E1414 PolarHBondContact O-N 2.87Å; E1414-S1418 WeakPolarHBondContact O-CB 3.48Å; E1414-S1418 PolarHBondContact O-N 2.79Å |
| 1415 | E | 81.6 | Confident | 81.4 | Confident | 115 Ų | 115 | 102.8 Ų | 102.8 | 54% | 0.537 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 168.2 | -77.5 | -165.1 | 134.3 | 0 | 0 | 112 | N1411 S1418 Q1419 | N1411-E1415 WeakPolarHBondContact O-CG 3.26Å; N1411-E1415 PolarHBondContact O-N 3.36Å; E1415-S1418 WeakPolarHBondContact O-CB 3.3Å; E1415-S1418 PolarHBondContact O-N 2.85Å; E1415-Q1419 WeakPolarHBondContact O-CB 3.14Å; E1415-Q1419 VanDerWaalsContact O-CG 3.28Å; E1415-Q1419 WeakPolarHBondContact O-CG 3.42Å; E1415-Q1419 PolarHBondContact O-N 2.83Å |
| 1416 | L | 83.2 | Confident | 81.1 | Confident | 86 Ų | 86 | 100.5 Ų | 100.5 | 45% | 0.45 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 178.8 | -75.8 | 168.9 | 0 | 0 | 0 | 112.2 | R1412 N1413 Q1419 V1420 | R1412-L1416 WeakPolarHBondContact O-CB 3.37Å; R1412-L1416 WeakPolarHBondContact O-CD1 3.42Å; R1412-L1416 VanDerWaalsContact O-CG 3.23Å; R1412-L1416 WeakPolarHBondContact O-CG 3.29Å; R1412-L1416 PolarHBondContact O-N 2.91Å; N1413-L1416 PolarHBondContact O-N 3.42Å; L1416-Q1419 PolarHBondContact O-N 2.86Å; L1416-V1420 WeakPolarHBondContact O-CG2 3.3Å; L1416-V1420 PolarHBondContact O-N 2.95Å |
| 1417 | V | 86.7 | Confident | 81.2 | Confident | 87 Ų | 87 | 101.8 Ų | 101.8 | 53% | 0.527 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 173 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | N1413 Q1419 V1420 E1421 | N1413-V1417 WeakPolarHBondContact O-CB 3.2Å; N1413-V1417 WeakPolarHBondContact O-CG2 3.43Å; N1413-V1417 PolarHBondContact O-N 3.2Å; V1417-Q1419 VanDerWaalsContact C-N 3.33Å; V1417-Q1419 PolarHBondContact O-N 3.33Å; V1417-V1420 PolarHBondContact O-N 3.19Å; V1417-E1421 WeakPolarHBondContact O-CB 3.49Å; V1417-E1421 PolarHBondContact O-N 2.93Å |
| 1418 | S | 82.5 | Confident | 80.9 | Confident | 41 Ų | 41 | 104.6 Ų | 104.6 | 29% | 0.287 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 174.6 | -167.5 | 0 | 0 | 0 | 0 | 112.1 | E1414 E1415 K1422 | E1414-S1418 WeakPolarHBondContact O-CB 3.48Å; E1414-S1418 PolarHBondContact O-N 2.79Å; E1415-S1418 WeakPolarHBondContact O-CB 3.3Å; E1415-S1418 PolarHBondContact O-N 2.85Å; S1418-K1422 WeakPolarHBondContact O-CB 3.36Å; S1418-K1422 VanDerWaalsContact O-CD 3.26Å; S1418-K1422 WeakPolarHBondContact O-CD 3.08Å; S1418-K1422 WeakPolarHBondContact O-CG 3.49Å; S1418-K1422 PolarHBondContact O-N 2.78Å; S1418-K1422 WeakPolarHBondContact OG-CE 3.34Å; S1418-K1422 PolarHBondContact OG-NZ 3.12Å |
| 1419 | Q | 82 | Confident | 80.5 | Confident | 99 Ų | 99 | 105.8 Ų | 105.8 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.2 | -43.7 | 174.5 | -74.3 | 175.8 | 32.8 | 0 | 0 | 111.8 | E1415 L1416 V1417 K1422 L1423 | E1415-Q1419 WeakPolarHBondContact O-CB 3.14Å; E1415-Q1419 VanDerWaalsContact O-CG 3.28Å; E1415-Q1419 WeakPolarHBondContact O-CG 3.42Å; E1415-Q1419 PolarHBondContact O-N 2.83Å; L1416-Q1419 PolarHBondContact O-N 2.86Å; V1417-Q1419 VanDerWaalsContact C-N 3.33Å; V1417-Q1419 PolarHBondContact O-N 3.33Å; Q1419-K1422 PolarHBondContact O-N 2.96Å; Q1419-L1423 WeakPolarHBondContact O-CB 3.18Å; Q1419-L1423 VanDerWaalsContact O-CG 3.28Å; Q1419-L1423 WeakPolarHBondContact O-CG 3.49Å; Q1419-L1423 PolarHBondContact O-N 3.03Å |
| 1420 | V | 84.7 | Confident | 80.1 | Confident | 85 Ų | 85 | 106.7 Ų | 106.7 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 174.8 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | L1416 V1417 K1422 L1423 E1424 | L1416-V1420 WeakPolarHBondContact O-CG2 3.3Å; L1416-V1420 PolarHBondContact O-N 2.95Å; V1417-V1420 PolarHBondContact O-N 3.19Å; V1420-K1422 PolarHBondContact O-N 2.8Å; V1420-L1423 PolarHBondContact O-N 3.1Å; V1420-E1424 WeakPolarHBondContact O-CB 3.14Å; V1420-E1424 PolarHBondContact O-N 3.17Å |
| 1421 | E | 83.5 | Confident | 79.7 | Confident | 99 Ų | 99 | 103.6 Ų | 103.6 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 172.9 | -83.1 | -157.9 | -178.5 | 0 | 0 | 112.6 | V1417 L1423 E1424 K1425 | V1417-E1421 WeakPolarHBondContact O-CB 3.49Å; V1417-E1421 PolarHBondContact O-N 2.93Å; E1421-L1423 VanDerWaalsContact C-N 3.34Å; E1421-E1424 PolarHBondContact O-N 2.89Å; E1421-K1425 VanDerWaalsContact O-CB 3.24Å; E1421-K1425 WeakPolarHBondContact O-CB 3.46Å; E1421-K1425 WeakPolarHBondContact O-CD 3.47Å; E1421-K1425 WeakPolarHBondContact O-CG 3.2Å; E1421-K1425 PolarHBondContact O-N 2.8Å; E1421-K1425 IonicContact OE2-NZ 3.71Å; E1421-K1425 PolarHBondContact OE2-NZ 3.02Å |
| 1422 | K | 79.9 | Confident | 79.3 | Confident | 133 Ų | 133 | 102 Ų | 102 | 58% | 0.578 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.5 | -40.9 | 177.4 | -76.5 | 160.3 | -176.7 | 151.8 | 0 | 111.1 | S1418 Q1419 V1420 S1426 | S1418-K1422 WeakPolarHBondContact O-CB 3.36Å; S1418-K1422 VanDerWaalsContact O-CD 3.26Å; S1418-K1422 WeakPolarHBondContact O-CD 3.08Å; S1418-K1422 WeakPolarHBondContact O-CG 3.49Å; S1418-K1422 PolarHBondContact O-N 2.78Å; S1418-K1422 WeakPolarHBondContact OG-CE 3.34Å; S1418-K1422 PolarHBondContact OG-NZ 3.12Å; Q1419-K1422 PolarHBondContact O-N 2.96Å; V1420-K1422 PolarHBondContact O-N 2.8Å; K1422-S1426 VanDerWaalsContact O-CB 3.25Å; K1422-S1426 WeakPolarHBondContact O-CB 3.21Å; K1422-S1426 PolarHBondContact O-N 2.94Å |
| 1423 | L | 79.5 | Confident | 78.6 | Confident | 122 Ų | 122 | 98.2 Ų | 98.2 | 64% | 0.639 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.3 | -42.8 | 175.1 | -71.6 | 169.3 | 0 | 0 | 0 | 111.7 | Q1419 V1420 E1421 S1426 R1427 | Q1419-L1423 WeakPolarHBondContact O-CB 3.18Å; Q1419-L1423 VanDerWaalsContact O-CG 3.28Å; Q1419-L1423 WeakPolarHBondContact O-CG 3.49Å; Q1419-L1423 PolarHBondContact O-N 3.03Å; V1420-L1423 PolarHBondContact O-N 3.1Å; E1421-L1423 VanDerWaalsContact C-N 3.34Å; L1423-S1426 PolarHBondContact O-N 3.32Å; L1423-R1427 VanDerWaalsContact O-CB 3.3Å; L1423-R1427 WeakPolarHBondContact O-CB 3.36Å; L1423-R1427 PolarHBondContact O-N 2.76Å |
| 1424 | E | 80.4 | Confident | 78.1 | Confident | 97 Ų | 97 | 96 Ų | 96 | 45% | 0.453 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 173.3 | -88 | -154.3 | -165.2 | 0 | 0 | 112.5 | V1420 E1421 S1426 R1427 K1428 | V1420-E1424 WeakPolarHBondContact O-CB 3.14Å; V1420-E1424 PolarHBondContact O-N 3.17Å; E1421-E1424 PolarHBondContact O-N 2.89Å; E1424-S1426 VanDerWaalsContact C-N 3.35Å; E1424-R1427 PolarHBondContact O-N 3.35Å; E1424-K1428 WeakPolarHBondContact O-CB 3.49Å; E1424-K1428 VanDerWaalsContact O-CG 3.29Å; E1424-K1428 WeakPolarHBondContact O-CG 3.47Å; E1424-K1428 PolarHBondContact O-N 2.85Å; E1424-K1428 WeakPolarHBondContact OE2-CE 3.3Å; E1424-K1428 IonicContact OE2-NZ 2.97Å; E1424-K1428 PolarHBondContact OE2-NZ 3.08Å |
| 1425 | K | 79.7 | Confident | 77.6 | Confident | 127 Ų | 127 | 95 Ų | 95 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | 177.2 | -74.3 | 163.1 | 179.6 | 168.4 | 0 | 110.6 | E1421 K1429 | E1421-K1425 VanDerWaalsContact O-CB 3.24Å; E1421-K1425 WeakPolarHBondContact O-CB 3.46Å; E1421-K1425 WeakPolarHBondContact O-CD 3.47Å; E1421-K1425 WeakPolarHBondContact O-CG 3.2Å; E1421-K1425 PolarHBondContact O-N 2.8Å; E1421-K1425 IonicContact OE2-NZ 3.71Å; E1421-K1425 PolarHBondContact OE2-NZ 3.02Å; K1425-K1429 VanDerWaalsContact O-CB 3.27Å; K1425-K1429 WeakPolarHBondContact O-CB 3.38Å; K1425-K1429 PolarHBondContact O-N 3.35Å |
| 1426 | S | 72.6 | Confident | 77.1 | Confident | 64 Ų | 64 | 93.7 Ų | 93.7 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 172.4 | -169.2 | 0 | 0 | 0 | 0 | 111.9 | K1422 L1423 E1424 K1429 L1430 | K1422-S1426 VanDerWaalsContact O-CB 3.25Å; K1422-S1426 WeakPolarHBondContact O-CB 3.21Å; K1422-S1426 PolarHBondContact O-N 2.94Å; L1423-S1426 PolarHBondContact O-N 3.32Å; E1424-S1426 VanDerWaalsContact C-N 3.35Å; S1426-K1429 PolarHBondContact O-N 3.39Å; S1426-L1430 WeakPolarHBondContact O-CB 3.34Å; S1426-L1430 WeakPolarHBondContact O-CG 3.27Å; S1426-L1430 PolarHBondContact O-N 2.61Å |
| 1427 | R | 79 | Confident | 76 | Confident | 113 Ų | 113 | 93 Ų | 93 | 43% | 0.426 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 179 | -159.7 | -165.3 | 86.9 | 141.5 | 17.4 | 111.4 | E55 L1423 E1424 L1430 Q1431 | E55-R1427 IonicContact OE1-CZ 3.24Å; E55-R1427 VanDerWaalsContact OE1-CZ 3.25Å; E55-R1427 IonicContact OE1-NH1 3.91Å; E55-R1427 PolarHBondContact OE1-NH1 2.93Å; E55-R1427 IonicContact OE1-NH2 2.61Å; E55-R1427 PolarHBondContact OE1-NH2 3.14Å; E55-R1427 IonicContact OE2-CZ 2.65Å; E55-R1427 IonicContact OE2-NH1 3.77Å; E55-R1427 PolarHBondContact OE2-NH1 3.16Å; E55-R1427 IonicContact OE2-NH2 2.66Å; L1423-R1427 VanDerWaalsContact O-CB 3.3Å; L1423-R1427 WeakPolarHBondContact O-CB 3.36Å; L1423-R1427 PolarHBondContact O-N 2.76Å; E1424-R1427 PolarHBondContact O-N 3.35Å; R1427-L1430 PolarHBondContact O-N 2.99Å; R1427-Q1431 VanDerWaalsContact O-CB 3.22Å; R1427-Q1431 WeakPolarHBondContact O-CB 3.48Å; R1427-Q1431 PolarHBondContact O-N 2.62Å |
| 1428 | K | 76.6 | Confident | 75.2 | Confident | 114 Ų | 114 | 92 Ų | 92 | 50% | 0.496 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 176.6 | -72.8 | 167.5 | -176.7 | 163.8 | 0 | 111.7 | E1424 S1432 | E1424-K1428 WeakPolarHBondContact O-CB 3.49Å; E1424-K1428 VanDerWaalsContact O-CG 3.29Å; E1424-K1428 WeakPolarHBondContact O-CG 3.47Å; E1424-K1428 PolarHBondContact O-N 2.85Å; E1424-K1428 WeakPolarHBondContact OE2-CE 3.3Å; E1424-K1428 IonicContact OE2-NZ 2.97Å; E1424-K1428 PolarHBondContact OE2-NZ 3.08Å; K1428-S1432 WeakPolarHBondContact O-CB 3.17Å; K1428-S1432 PolarHBondContact O-N 3.32Å |
| 1429 | K | 74 | Confident | 74.7 | Confident | 131 Ų | 131 | 96.5 Ų | 96.5 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65 | -50.8 | 172.8 | 178.9 | 172 | 170.9 | 174.8 | 0 | 111.8 | K1425 S1426 Q1431 S1432 E1433 | K1425-K1429 VanDerWaalsContact O-CB 3.27Å; K1425-K1429 WeakPolarHBondContact O-CB 3.38Å; K1425-K1429 PolarHBondContact O-N 3.35Å; S1426-K1429 PolarHBondContact O-N 3.39Å; K1429-Q1431 VanDerWaalsContact C-N 3.27Å; K1429-Q1431 PolarHBondContact O-N 2.98Å; K1429-S1432 WeakPolarHBondContact O-CB 3.08Å; K1429-S1432 PolarHBondContact O-N 3.34Å; K1429-E1433 WeakPolarHBondContact CE-OE1 3.27Å; K1429-E1433 HydrophobicContact CG-CG 4.47Å; K1429-E1433 IonicContact NZ-OE1 3.98Å; K1429-E1433 WeakPolarHBondContact O-CG 3.38Å; K1429-E1433 PolarHBondContact O-N 3.04Å |
| 1430 | L | 68.8 | Low | 73.8 | Confident | 103 Ų | 103 | 94.7 Ų | 94.7 | 54% | 0.539 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 176.1 | -74.1 | 167.5 | 0 | 0 | 0 | 112.1 | S1426 R1427 L1434 | S1426-L1430 WeakPolarHBondContact O-CB 3.34Å; S1426-L1430 WeakPolarHBondContact O-CG 3.27Å; S1426-L1430 PolarHBondContact O-N 2.61Å; R1427-L1430 PolarHBondContact O-N 2.99Å; L1430-L1434 WeakPolarHBondContact O-CB 3.46Å; L1430-L1434 PolarHBondContact O-N 3.32Å |
| 1431 | Q | 73.6 | Confident | 72.5 | Confident | 68 Ų | 68 | 91.7 Ų | 91.7 | 32% | 0.318 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 175.3 | -173.5 | -179.8 | -14.8 | 0 | 0 | 111.6 | R1427 K1429 L1434 E1435 | R1427-Q1431 VanDerWaalsContact O-CB 3.22Å; R1427-Q1431 WeakPolarHBondContact O-CB 3.48Å; R1427-Q1431 PolarHBondContact O-N 2.62Å; K1429-Q1431 VanDerWaalsContact C-N 3.27Å; K1429-Q1431 PolarHBondContact O-N 2.98Å; Q1431-L1434 PolarHBondContact O-N 2.81Å; Q1431-E1435 HydrophobicContact CG-CG 4.43Å; Q1431-E1435 WeakPolarHBondContact CG-OE1 3.41Å; Q1431-E1435 PolarHBondContact NE2-OE1 2.91Å; Q1431-E1435 WeakPolarHBondContact O-CB 3.36Å; Q1431-E1435 WeakPolarHBondContact O-CG 3.4Å; Q1431-E1435 PolarHBondContact O-N 3.09Å |
| 1432 | S | 72.9 | Confident | 71.8 | Confident | 60 Ų | 60 | 89.4 Ų | 89.4 | 42% | 0.42 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.4 | -55.1 | 171.8 | -174.3 | 0 | 0 | 0 | 0 | 110.6 | K1428 K1429 L1434 E1435 D1436 | K1428-S1432 WeakPolarHBondContact O-CB 3.17Å; K1428-S1432 PolarHBondContact O-N 3.32Å; K1429-S1432 WeakPolarHBondContact O-CB 3.08Å; K1429-S1432 PolarHBondContact O-N 3.34Å; S1432-L1434 PolarHBondContact O-N 3.29Å; S1432-E1435 PolarHBondContact O-N 2.86Å; S1432-D1436 WeakPolarHBondContact O-CB 3.46Å; S1432-D1436 VanDerWaalsContact O-CG 3.24Å; S1432-D1436 PolarHBondContact O-N 3.19Å; S1432-D1436 PolarHBondContact OG-OD2 2.94Å |
| 1433 | E | 67.2 | Low | 71.4 | Confident | 86 Ų | 86 | 85.7 Ų | 85.7 | 40% | 0.402 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -55.8 | -38.8 | 179.2 | -71.8 | 173.1 | 171.5 | 0 | 0 | 111.8 | K1429 M1437 | K1429-E1433 WeakPolarHBondContact CE-OE1 3.27Å; K1429-E1433 HydrophobicContact CG-CG 4.47Å; K1429-E1433 IonicContact NZ-OE1 3.98Å; K1429-E1433 WeakPolarHBondContact O-CG 3.38Å; K1429-E1433 PolarHBondContact O-N 3.04Å; E1433-M1437 WeakPolarHBondContact O-CB 3.44Å; E1433-M1437 WeakPolarHBondContact O-CG 3.42Å; E1433-M1437 PolarHBondContact O-N 2.92Å |
| 1434 | L | 68.3 | Low | 70.5 | Confident | 58 Ų | 58 | 82 Ų | 82 | 30% | 0.304 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -74.8 | -35.8 | 177.6 | -171.7 | 141.9 | 0 | 0 | 0 | 112.9 | D73 L1430 Q1431 S1432 N1438 | D73-L1434 HydrophobicContact CB-CD1 3.91Å; L1430-L1434 WeakPolarHBondContact O-CB 3.46Å; L1430-L1434 PolarHBondContact O-N 3.32Å; Q1431-L1434 PolarHBondContact O-N 2.81Å; S1432-L1434 PolarHBondContact O-N 3.29Å; L1434-N1438 WeakPolarHBondContact CD2-ND2 3.32Å; L1434-N1438 WeakPolarHBondContact O-CB 2.99Å; L1434-N1438 PolarHBondContact O-N 2.7Å; L1434-N1438 PolarHBondContact O-ND2 3.15Å |
| 1435 | E | 73.2 | Confident | 69.6 | Low | 107 Ų | 107 | 79.5 Ų | 79.5 | 50% | 0.5 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70 | -44.6 | 174.4 | -75.8 | 179.9 | -160.7 | 0 | 0 | 111.2 | Q1431 S1432 N1438 H1439 | Q1431-E1435 HydrophobicContact CG-CG 4.43Å; Q1431-E1435 WeakPolarHBondContact CG-OE1 3.41Å; Q1431-E1435 PolarHBondContact NE2-OE1 2.91Å; Q1431-E1435 WeakPolarHBondContact O-CB 3.36Å; Q1431-E1435 WeakPolarHBondContact O-CG 3.4Å; Q1431-E1435 PolarHBondContact O-N 3.09Å; S1432-E1435 PolarHBondContact O-N 2.86Å; E1435-N1438 CarbonylContact O-C 3.52Å; E1435-N1438 PolarHBondContact O-N 3.48Å; E1435-H1439 WeakPolarHBondContact O-CB 3.37Å; E1435-H1439 PolarHBondContact O-N 3Å |
| 1436 | D | 70.4 | Confident | 69.2 | Low | 88 Ų | 88 | 76.2 Ų | 76.2 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 174.2 | -67.6 | -43.6 | 0 | 0 | 0 | 111.3 | S1432 N1438 H1439 V1440 | S1432-D1436 WeakPolarHBondContact O-CB 3.46Å; S1432-D1436 VanDerWaalsContact O-CG 3.24Å; S1432-D1436 PolarHBondContact O-N 3.19Å; S1432-D1436 PolarHBondContact OG-OD2 2.94Å; D1436-N1438 VanDerWaalsContact C-N 3.32Å; D1436-N1438 PolarHBondContact O-N 3.49Å; D1436-H1439 PolarHBondContact O-N 3.32Å; D1436-V1440 WeakPolarHBondContact O-CB 3.47Å; D1436-V1440 WeakPolarHBondContact O-CG2 3.26Å; D1436-V1440 PolarHBondContact O-N 2.87Å |
| 1437 | M | 60.9 | Low | 69 | Low | 71 Ų | 71 | 75.9 Ų | 75.9 | 35% | 0.35 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 173.1 | -73.8 | -72.6 | 160.7 | 0 | 0 | 111.8 | R718 E1433 M1441 | R718-M1437 PolarHBondContact NH2-SD 3.33Å; E1433-M1437 WeakPolarHBondContact O-CB 3.44Å; E1433-M1437 WeakPolarHBondContact O-CG 3.42Å; E1433-M1437 PolarHBondContact O-N 2.92Å; M1437-M1441 WeakPolarHBondContact O-CB 3.36Å; M1437-M1441 WeakPolarHBondContact O-CG 3.11Å; M1437-M1441 PolarHBondContact O-N 2.94Å; M1437-M1441 VanDerWaalsContact O-N 3.07Å |
| 1438 | N | 69.5 | Low | 68.1 | Low | 65 Ų | 65 | 74.5 Ų | 74.5 | 35% | 0.348 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68 | -38.2 | 174.6 | -88.8 | -75.8 | 0 | 0 | 0 | 112.4 | L1434 E1435 D1436 A1442 | L1434-N1438 WeakPolarHBondContact CD2-ND2 3.32Å; L1434-N1438 WeakPolarHBondContact O-CB 2.99Å; L1434-N1438 PolarHBondContact O-N 2.7Å; L1434-N1438 PolarHBondContact O-ND2 3.15Å; E1435-N1438 CarbonylContact O-C 3.52Å; E1435-N1438 PolarHBondContact O-N 3.48Å; D1436-N1438 VanDerWaalsContact C-N 3.32Å; D1436-N1438 PolarHBondContact O-N 3.49Å; N1438-A1442 VanDerWaalsContact O-CB 3.26Å; N1438-A1442 WeakPolarHBondContact O-CB 3.44Å; N1438-A1442 PolarHBondContact O-N 3.33Å |
| 1439 | H | 71.5 | Confident | 67.8 | Low | 137 Ų | 137 | 71 Ų | 71 | 63% | 0.634 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.6 | -51.3 | 179.8 | -169.4 | 88.4 | 0 | 0 | 0 | 111.5 | E1435 D1436 M1441 A1442 S1443 | E1435-H1439 WeakPolarHBondContact O-CB 3.37Å; E1435-H1439 PolarHBondContact O-N 3Å; D1436-H1439 PolarHBondContact O-N 3.32Å; H1439-M1441 VanDerWaalsContact C-N 3.3Å; H1439-M1441 PolarHBondContact O-N 3.38Å; H1439-A1442 WeakPolarHBondContact O-CA 3.33Å; H1439-A1442 WeakPolarHBondContact O-CB 3.33Å; H1439-A1442 PolarHBondContact O-N 3.2Å; H1439-S1443 PolarHBondContact O-N 3.37Å |
| 1440 | V | 64.3 | Low | 67.8 | Low | 60 Ų | 60 | 68.3 Ų | 68.3 | 36% | 0.364 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 175.5 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | D1436 A1442 Q1444 | D1436-V1440 WeakPolarHBondContact O-CB 3.47Å; D1436-V1440 WeakPolarHBondContact O-CG2 3.26Å; D1436-V1440 PolarHBondContact O-N 2.87Å; V1440-A1442 PolarHBondContact O-N 2.91Å; V1440-Q1444 WeakPolarHBondContact O-CB 3.13Å; V1440-Q1444 PolarHBondContact O-N 3.24Å |
| 1441 | M | 56.8 | Low | 67.6 | Low | 23 Ų | 23 | 64.8 Ų | 64.8 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -71.2 | -16.1 | 175.5 | -67.7 | -73.9 | -82.4 | 0 | 0 | 113.3 | M95 M1437 H1439 R1445 | M95-M1441 HydrophobicContact CB-CE 3.83Å; M1437-M1441 WeakPolarHBondContact O-CB 3.36Å; M1437-M1441 WeakPolarHBondContact O-CG 3.11Å; M1437-M1441 PolarHBondContact O-N 2.94Å; M1437-M1441 VanDerWaalsContact O-N 3.07Å; H1439-M1441 VanDerWaalsContact C-N 3.3Å; H1439-M1441 PolarHBondContact O-N 3.38Å; M1441-R1445 VanDerWaalsContact O-CG 3.3Å; M1441-R1445 WeakPolarHBondContact O-CG 3.27Å; M1441-R1445 PolarHBondContact O-NH1 3.18Å |
| 1442 | A | 69.6 | Low | 67.3 | Low | 50 Ų | 50 | 65 Ų | 65 | 41% | 0.413 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -84.8 | -47 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1438 H1439 V1440 R1445 S1446 | N1438-A1442 VanDerWaalsContact O-CB 3.26Å; N1438-A1442 WeakPolarHBondContact O-CB 3.44Å; N1438-A1442 PolarHBondContact O-N 3.33Å; H1439-A1442 WeakPolarHBondContact O-CA 3.33Å; H1439-A1442 WeakPolarHBondContact O-CB 3.33Å; H1439-A1442 PolarHBondContact O-N 3.2Å; V1440-A1442 PolarHBondContact O-N 2.91Å; A1442-R1445 PolarHBondContact O-N 2.99Å; A1442-S1446 PolarHBondContact O-N 2.95Å |
| 1443 | S | 71 | Confident | 67.2 | Low | 56 Ų | 56 | 70.7 Ų | 70.7 | 39% | 0.392 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -57.8 | -56.6 | 173.8 | -162.4 | 0 | 0 | 0 | 0 | 109.8 | H1439 R1445 S1446 D1447 | H1439-S1443 PolarHBondContact O-N 3.37Å; S1443-R1445 CarbonylContact O-C 3.35Å; S1443-R1445 PolarHBondContact O-N 3.46Å; S1443-S1446 CarbonylContact O-C 3.6Å; S1443-S1446 WeakPolarHBondContact O-CA 3.18Å; S1443-S1446 VanDerWaalsContact O-CB 3.26Å; S1443-S1446 WeakPolarHBondContact O-CB 3.46Å; S1443-S1446 PolarHBondContact O-N 2.98Å; S1443-D1447 PolarHBondContact O-N 2.99Å; S1443-D1447 PolarHBondContact OG-OD2 3.07Å |
| 1444 | Q | 60.2 | Low | 67.4 | Low | 44 Ų | 44 | 75.2 Ų | 75.2 | 21% | 0.206 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.4 | -26.4 | -176.8 | -160.6 | -171.4 | 59.5 | 0 | 0 | 113.3 | R717 V1440 Q1448 | R717-Q1444 VanDerWaalsContact CZ-OE1 3.29Å; R717-Q1444 PolarHBondContact O-NE2 3.41Å; V1440-Q1444 WeakPolarHBondContact O-CB 3.13Å; V1440-Q1444 PolarHBondContact O-N 3.24Å; Q1444-Q1448 WeakPolarHBondContact O-CB 2.89Å; Q1444-Q1448 PolarHBondContact O-N 3.24Å |
| 1445 | R | 61.6 | Low | 67.3 | Low | 45 Ų | 45 | 76.9 Ų | 76.9 | 17% | 0.17 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -77.9 | -41.1 | 170.7 | -75.9 | -177.1 | -156.4 | 105.4 | 8.5 | 113.9 | S93 M1441 A1442 S1443 D1447 A1449 | S93-R1445 PolarHBondContact O-NE 3.47Å; S93-R1445 PolarHBondContact O-NH2 3.39Å; M1441-R1445 VanDerWaalsContact O-CG 3.3Å; M1441-R1445 WeakPolarHBondContact O-CG 3.27Å; M1441-R1445 PolarHBondContact O-NH1 3.18Å; A1442-R1445 PolarHBondContact O-N 2.99Å; S1443-R1445 CarbonylContact O-C 3.35Å; S1443-R1445 PolarHBondContact O-N 3.46Å; R1445-D1447 VanDerWaalsContact C-N 3.27Å; R1445-A1449 WeakPolarHBondContact O-CB 2.89Å; R1445-A1449 PolarHBondContact O-N 2.97Å |
| 1446 | S | 71 | Confident | 67.3 | Low | 57 Ų | 57 | 77.6 Ų | 77.6 | 40% | 0.399 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -55.4 | -49.2 | 170.9 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | A1442 S1443 A1449 N1450 | A1442-S1446 PolarHBondContact O-N 2.95Å; S1443-S1446 CarbonylContact O-C 3.6Å; S1443-S1446 WeakPolarHBondContact O-CA 3.18Å; S1443-S1446 VanDerWaalsContact O-CB 3.26Å; S1443-S1446 WeakPolarHBondContact O-CB 3.46Å; S1443-S1446 PolarHBondContact O-N 2.98Å; S1446-A1449 PolarHBondContact O-N 2.67Å; S1446-N1450 VanDerWaalsContact O-CB 3.27Å; S1446-N1450 WeakPolarHBondContact O-CB 2.81Å; S1446-N1450 PolarHBondContact O-N 3.3Å; S1446-N1450 PolarHBondContact O-ND2 3.39Å; S1446-N1450 VanDerWaalsContact O-ND2 3.11Å; S1446-N1450 PolarHBondContact OG-ND2 3.16Å |
| 1447 | D | 68.9 | Low | 67.6 | Low | 57 Ų | 57 | 80.8 Ų | 80.8 | 31% | 0.305 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.7 | -44.9 | -172.3 | -50.1 | -32.3 | 0 | 0 | 0 | 110.4 | S1443 R1445 A1449 N1450 N1451 | S1443-D1447 PolarHBondContact O-N 2.99Å; S1443-D1447 PolarHBondContact OG-OD2 3.07Å; R1445-D1447 VanDerWaalsContact C-N 3.27Å; D1447-A1449 PolarHBondContact O-N 3.09Å; D1447-N1450 PolarHBondContact O-N 3.5Å; D1447-N1451 VanDerWaalsContact O-CB 3.31Å; D1447-N1451 WeakPolarHBondContact O-CB 3.04Å; D1447-N1451 VanDerWaalsContact O-CG 3.29Å; D1447-N1451 PolarHBondContact O-N 2.97Å; D1447-N1451 PolarHBondContact O-ND2 3.41Å |
| 1448 | Q | 60.4 | Low | 68.2 | Low | 84 Ų | 84 | 81.9 Ų | 81.9 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 171.3 | -175.9 | 176.9 | 4.2 | 0 | 0 | 112.5 | Q1444 N1451 E1452 | Q1444-Q1448 WeakPolarHBondContact O-CB 2.89Å; Q1444-Q1448 PolarHBondContact O-N 3.24Å; Q1448-N1451 PolarHBondContact O-N 2.9Å; Q1448-E1452 WeakPolarHBondContact O-CB 3.28Å; Q1448-E1452 PolarHBondContact O-N 3.46Å |
| 1449 | A | 70 | Confident | 68.3 | Low | 41 Ų | 41 | 84 Ų | 84 | 34% | 0.339 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.2 | -33.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1445 S1446 D1447 R1453 | R1445-A1449 WeakPolarHBondContact O-CB 2.89Å; R1445-A1449 PolarHBondContact O-N 2.97Å; S1446-A1449 PolarHBondContact O-N 2.67Å; D1447-A1449 PolarHBondContact O-N 3.09Å; A1449-R1453 WeakPolarHBondContact O-CB 3.27Å; A1449-R1453 WeakPolarHBondContact O-CD 2.79Å; A1449-R1453 WeakPolarHBondContact O-CG 3.22Å; A1449-R1453 PolarHBondContact O-N 3.25Å; A1449-R1453 VanDerWaalsContact O-N 3.14Å |
| 1450 | N | 73.4 | Confident | 68.7 | Low | 74 Ų | 74 | 80.2 Ų | 80.2 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.4 | -42.4 | 173.6 | -71.9 | -27.9 | 0 | 0 | 0 | 110.8 | S1446 D1447 R1453 R1454 | S1446-N1450 VanDerWaalsContact O-CB 3.27Å; S1446-N1450 WeakPolarHBondContact O-CB 2.81Å; S1446-N1450 PolarHBondContact O-N 3.3Å; S1446-N1450 PolarHBondContact O-ND2 3.39Å; S1446-N1450 VanDerWaalsContact O-ND2 3.11Å; S1446-N1450 PolarHBondContact OG-ND2 3.16Å; D1447-N1450 PolarHBondContact O-N 3.5Å; N1450-R1453 WeakPolarHBondContact O-CB 3.38Å; N1450-R1453 PolarHBondContact O-N 2.95Å; N1450-R1454 WeakPolarHBondContact O-CB 3.49Å; N1450-R1454 PolarHBondContact O-N 2.93Å |
| 1451 | N | 64.9 | Low | 69.5 | Low | 30 Ų | 30 | 80.6 Ų | 80.6 | 16% | 0.16 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.6 | -43 | 175.7 | -72.8 | -21.4 | 0 | 0 | 0 | 112 | D764 D1447 Q1448 R1453 R1454 I1455 | D764-N1451 PolarHBondContact OD2-ND2 3.3Å; D1447-N1451 VanDerWaalsContact O-CB 3.31Å; D1447-N1451 WeakPolarHBondContact O-CB 3.04Å; D1447-N1451 VanDerWaalsContact O-CG 3.29Å; D1447-N1451 PolarHBondContact O-N 2.97Å; D1447-N1451 PolarHBondContact O-ND2 3.41Å; Q1448-N1451 PolarHBondContact O-N 2.9Å; N1451-R1453 VanDerWaalsContact C-N 3.28Å; N1451-R1453 PolarHBondContact O-N 3.47Å; N1451-R1454 PolarHBondContact O-N 2.84Å; N1451-R1454 VanDerWaalsContact O-N 3.11Å; N1451-I1455 WeakPolarHBondContact O-CB 3.33Å; N1451-I1455 VanDerWaalsContact O-CG1 3.3Å; N1451-I1455 WeakPolarHBondContact O-CG1 3Å; N1451-I1455 PolarHBondContact O-N 2.9Å |
| 1452 | E | 66.7 | Low | 70.3 | Confident | 72 Ų | 72 | 85.5 Ų | 85.5 | 34% | 0.336 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -55.9 | -40.7 | 170.9 | -84.6 | -170.8 | -145.3 | 0 | 0 | 112.2 | Q1448 K1456 | Q1448-E1452 WeakPolarHBondContact O-CB 3.28Å; Q1448-E1452 PolarHBondContact O-N 3.46Å; E1452-K1456 VanDerWaalsContact O-CB 3.3Å; E1452-K1456 WeakPolarHBondContact O-CB 3.42Å; E1452-K1456 VanDerWaalsContact O-CG 3.31Å; E1452-K1456 WeakPolarHBondContact O-CG 3.11Å; E1452-K1456 PolarHBondContact O-N 3.18Å; E1452-K1456 IonicContact OE2-NZ 3.09Å |
| 1453 | R | 71.4 | Confident | 70.7 | Confident | 179 Ų | 179 | 85.2 Ų | 85.2 | 68% | 0.675 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -69.9 | -36.4 | 176.4 | -74.4 | 166 | 175.2 | -180 | -3.9 | 112.5 | A1449 N1450 N1451 K1457 | A1449-R1453 WeakPolarHBondContact O-CB 3.27Å; A1449-R1453 WeakPolarHBondContact O-CD 2.79Å; A1449-R1453 WeakPolarHBondContact O-CG 3.22Å; A1449-R1453 PolarHBondContact O-N 3.25Å; A1449-R1453 VanDerWaalsContact O-N 3.14Å; N1450-R1453 WeakPolarHBondContact O-CB 3.38Å; N1450-R1453 PolarHBondContact O-N 2.95Å; N1451-R1453 VanDerWaalsContact C-N 3.28Å; N1451-R1453 PolarHBondContact O-N 3.47Å; R1453-K1457 WeakPolarHBondContact O-CB 3.07Å; R1453-K1457 PolarHBondContact O-N 3.2Å; R1453-K1457 VanDerWaalsContact O-N 3.07Å |
| 1454 | R | 70.8 | Confident | 71.2 | Confident | 181 Ų | 181 | 87.2 Ų | 87.2 | 68% | 0.683 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -71.2 | -47.6 | -179.2 | -149.6 | 173.2 | -177.7 | -178.5 | -3.5 | 110.4 | N1450 N1451 K1457 L1458 | N1450-R1454 WeakPolarHBondContact O-CB 3.49Å; N1450-R1454 PolarHBondContact O-N 2.93Å; N1451-R1454 PolarHBondContact O-N 2.84Å; N1451-R1454 VanDerWaalsContact O-N 3.11Å; R1454-K1457 PolarHBondContact O-N 3.48Å; R1454-L1458 WeakPolarHBondContact O-CG 2.92Å; R1454-L1458 PolarHBondContact O-N 3.07Å |
| 1455 | I | 67.4 | Low | 72.1 | Confident | 93 Ų | 93 | 88.8 Ų | 88.8 | 48% | 0.477 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -56.4 | -55.3 | 172.2 | -68.5 | 166.3 | 0 | 0 | 0 | 109.6 | N1451 K1457 L1458 E1459 | N1451-I1455 WeakPolarHBondContact O-CB 3.33Å; N1451-I1455 VanDerWaalsContact O-CG1 3.3Å; N1451-I1455 WeakPolarHBondContact O-CG1 3Å; N1451-I1455 PolarHBondContact O-N 2.9Å; I1455-K1457 PolarHBondContact O-N 3.23Å; I1455-K1457 VanDerWaalsContact O-N 3.1Å; I1455-L1458 CarbonylContact O-C 3.48Å; I1455-L1458 WeakPolarHBondContact O-CA 3.33Å; I1455-L1458 PolarHBondContact O-N 3.34Å; I1455-E1459 HydrophobicContact CG2-CG 3.98Å; I1455-E1459 WeakPolarHBondContact CG2-OE1 2.97Å; I1455-E1459 WeakPolarHBondContact O-CB 3.17Å; I1455-E1459 WeakPolarHBondContact O-CG 3.37Å; I1455-E1459 PolarHBondContact O-N 3.46Å |
| 1456 | K | 72.6 | Confident | 73 | Confident | 123 Ų | 123 | 89.2 Ų | 89.2 | 54% | 0.535 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.2 | -29.6 | 178.4 | -77.1 | 171.1 | 179.7 | 164 | 0 | 114.8 | E1452 E1459 S1460 | E1452-K1456 VanDerWaalsContact O-CB 3.3Å; E1452-K1456 WeakPolarHBondContact O-CB 3.42Å; E1452-K1456 VanDerWaalsContact O-CG 3.31Å; E1452-K1456 WeakPolarHBondContact O-CG 3.11Å; E1452-K1456 PolarHBondContact O-N 3.18Å; E1452-K1456 IonicContact OE2-NZ 3.09Å; K1456-E1459 WeakPolarHBondContact CA-OE2 3.12Å; K1456-E1459 WeakPolarHBondContact CG-OE2 3.3Å; K1456-S1460 WeakPolarHBondContact O-CB 3.2Å; K1456-S1460 PolarHBondContact O-N 2.99Å |
| 1457 | K | 77.2 | Confident | 73.4 | Confident | 154 Ų | 154 | 91.5 Ų | 91.5 | 67% | 0.67 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -73.7 | -43 | 174.2 | -167.3 | 179.9 | -179.7 | -174.3 | 0 | 111.6 | R1453 R1454 I1455 S1460 T1461 | R1453-K1457 WeakPolarHBondContact O-CB 3.07Å; R1453-K1457 PolarHBondContact O-N 3.2Å; R1453-K1457 VanDerWaalsContact O-N 3.07Å; R1454-K1457 PolarHBondContact O-N 3.48Å; I1455-K1457 PolarHBondContact O-N 3.23Å; I1455-K1457 VanDerWaalsContact O-N 3.1Å; K1457-S1460 PolarHBondContact O-N 2.72Å; K1457-T1461 PolarHBondContact O-N 3.17Å; K1457-T1461 PolarHBondContact O-OG1 3.24Å |
| 1458 | L | 72.6 | Confident | 74.2 | Confident | 95 Ų | 95 | 94.3 Ų | 94.3 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 175.1 | -68.7 | 169.5 | 0 | 0 | 0 | 110.9 | R1454 I1455 S1460 T1461 H1462 | R1454-L1458 WeakPolarHBondContact O-CG 2.92Å; R1454-L1458 PolarHBondContact O-N 3.07Å; I1455-L1458 CarbonylContact O-C 3.48Å; I1455-L1458 WeakPolarHBondContact O-CA 3.33Å; I1455-L1458 PolarHBondContact O-N 3.34Å; L1458-S1460 VanDerWaalsContact C-N 3.33Å; L1458-S1460 PolarHBondContact O-N 3.41Å; L1458-T1461 WeakPolarHBondContact CA-OG1 3Å; L1458-T1461 PolarHBondContact O-N 3.38Å; L1458-T1461 PolarHBondContact O-OG1 3.44Å; L1458-H1462 WeakPolarHBondContact O-CB 2.9Å; L1458-H1462 PolarHBondContact O-N 2.92Å |
| 1459 | E | 72.9 | Confident | 75.1 | Confident | 109 Ų | 109 | 95.4 Ų | 95.4 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -52.8 | -45.8 | 171.1 | -71.7 | 173.9 | 160.2 | 0 | 0 | 111.7 | I1455 K1456 H1462 A1463 | I1455-E1459 HydrophobicContact CG2-CG 3.98Å; I1455-E1459 WeakPolarHBondContact CG2-OE1 2.97Å; I1455-E1459 WeakPolarHBondContact O-CB 3.17Å; I1455-E1459 WeakPolarHBondContact O-CG 3.37Å; I1455-E1459 PolarHBondContact O-N 3.46Å; K1456-E1459 WeakPolarHBondContact CA-OE2 3.12Å; K1456-E1459 WeakPolarHBondContact CG-OE2 3.3Å; E1459-H1462 PolarHBondContact O-N 2.81Å; E1459-A1463 WeakPolarHBondContact O-CB 3.33Å; E1459-A1463 PolarHBondContact O-N 2.89Å |
| 1460 | S | 79 | Confident | 75.6 | Confident | 58 Ų | 58 | 97.5 Ų | 97.5 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.5 | -50.2 | 175.9 | -162.6 | 0 | 0 | 0 | 0 | 111.2 | K1456 K1457 L1458 H1462 A1463 E1464 | K1456-S1460 WeakPolarHBondContact O-CB 3.2Å; K1456-S1460 PolarHBondContact O-N 2.99Å; K1457-S1460 PolarHBondContact O-N 2.72Å; L1458-S1460 VanDerWaalsContact C-N 3.33Å; L1458-S1460 PolarHBondContact O-N 3.41Å; S1460-H1462 VanDerWaalsContact C-N 3.33Å; S1460-H1462 PolarHBondContact O-N 3.43Å; S1460-A1463 PolarHBondContact O-N 3.1Å; S1460-E1464 WeakPolarHBondContact O-CB 3.26Å; S1460-E1464 WeakPolarHBondContact O-CG 2.95Å; S1460-E1464 PolarHBondContact O-N 3.27Å; S1460-E1464 PolarHBondContact OG-OE1 3.45Å |
| 1461 | T | 80.4 | Confident | 76.2 | Confident | 67 Ų | 67 | 96.8 Ų | 96.8 | 41% | 0.411 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.6 | -32.7 | 179.9 | 49.9 | 0 | 0 | 0 | 0 | 113.5 | K1457 L1458 T1465 | K1457-T1461 PolarHBondContact O-N 3.17Å; K1457-T1461 PolarHBondContact O-OG1 3.24Å; L1458-T1461 WeakPolarHBondContact CA-OG1 3Å; L1458-T1461 PolarHBondContact O-N 3.38Å; L1458-T1461 PolarHBondContact O-OG1 3.44Å; T1461-T1465 WeakPolarHBondContact O-CG2 2.96Å; T1461-T1465 PolarHBondContact O-N 3.33Å; T1461-T1465 VanDerWaalsContact O-N 3.07Å; T1461-T1465 PolarHBondContact O-OG1 2.97Å |
| 1462 | H | 74.8 | Confident | 77.1 | Confident | 126 Ų | 126 | 102 Ų | 102 | 58% | 0.583 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -72.7 | -45 | 174.8 | -172.1 | 70.2 | 0 | 0 | 0 | 110.7 | L1458 E1459 S1460 E1464 T1465 V1466 | L1458-H1462 WeakPolarHBondContact O-CB 2.9Å; L1458-H1462 PolarHBondContact O-N 2.92Å; E1459-H1462 PolarHBondContact O-N 2.81Å; S1460-H1462 VanDerWaalsContact C-N 3.33Å; S1460-H1462 PolarHBondContact O-N 3.43Å; H1462-E1464 VanDerWaalsContact C-N 3.33Å; H1462-E1464 PolarHBondContact O-N 2.91Å; H1462-T1465 WeakPolarHBondContact CA-OG1 3.01Å; H1462-T1465 PolarHBondContact O-N 2.79Å; H1462-T1465 PolarHBondContact O-OG1 3.26Å; H1462-T1465 VanDerWaalsContact O-OG1 3.04Å; H1462-V1466 VanDerWaalsContact O-CB 3.25Å; H1462-V1466 WeakPolarHBondContact O-CB 2.79Å; H1462-V1466 VanDerWaalsContact O-CG2 3.25Å; H1462-V1466 WeakPolarHBondContact O-CG2 3.06Å; H1462-V1466 PolarHBondContact O-N 3.46Å |
| 1463 | A | 78.2 | Confident | 77.8 | Confident | 44 Ų | 44 | 103.1 Ų | 103.1 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E1459 S1460 N1467 | E1459-A1463 WeakPolarHBondContact O-CB 3.33Å; E1459-A1463 PolarHBondContact O-N 2.89Å; S1460-A1463 PolarHBondContact O-N 3.1Å; A1463-N1467 WeakPolarHBondContact O-CB 3.05Å; A1463-N1467 PolarHBondContact O-N 3.45Å; A1463-N1467 PolarHBondContact O-ND2 2.8Å |
| 1464 | E | 81.5 | Confident | 78.4 | Confident | 99 Ų | 99 | 97.4 Ų | 97.4 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 174.4 | -76.6 | 163.1 | -131.8 | 0 | 0 | 111.6 | S1460 H1462 N1467 Q1468 | S1460-E1464 WeakPolarHBondContact O-CB 3.26Å; S1460-E1464 WeakPolarHBondContact O-CG 2.95Å; S1460-E1464 PolarHBondContact O-N 3.27Å; S1460-E1464 PolarHBondContact OG-OE1 3.45Å; H1462-E1464 VanDerWaalsContact C-N 3.33Å; H1462-E1464 PolarHBondContact O-N 2.91Å; E1464-N1467 PolarHBondContact O-N 3.47Å; E1464-Q1468 VanDerWaalsContact O-CG 3.28Å; E1464-Q1468 WeakPolarHBondContact O-CG 3.24Å; E1464-Q1468 PolarHBondContact O-N 3.25Å |
| 1465 | T | 79.5 | Confident | 79 | Confident | 76 Ų | 76 | 94.2 Ų | 94.2 | 47% | 0.466 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69 | -40.5 | 178.5 | 47.3 | 0 | 0 | 0 | 0 | 112.6 | T1461 H1462 Q1468 L1469 | T1461-T1465 WeakPolarHBondContact O-CG2 2.96Å; T1461-T1465 PolarHBondContact O-N 3.33Å; T1461-T1465 VanDerWaalsContact O-N 3.07Å; T1461-T1465 PolarHBondContact O-OG1 2.97Å; H1462-T1465 WeakPolarHBondContact CA-OG1 3.01Å; H1462-T1465 PolarHBondContact O-N 2.79Å; H1462-T1465 PolarHBondContact O-OG1 3.26Å; H1462-T1465 VanDerWaalsContact O-OG1 3.04Å; T1465-Q1468 PolarHBondContact O-N 2.8Å; T1465-L1469 WeakPolarHBondContact O-CB 2.95Å; T1465-L1469 PolarHBondContact O-N 3.48Å |
| 1466 | V | 79.3 | Confident | 79.8 | Confident | 54 Ų | 54 | 95.2 Ų | 95.2 | 33% | 0.327 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 172.9 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | H1462 L1469 N1470 | H1462-V1466 VanDerWaalsContact O-CB 3.25Å; H1462-V1466 WeakPolarHBondContact O-CB 2.79Å; H1462-V1466 VanDerWaalsContact O-CG2 3.25Å; H1462-V1466 WeakPolarHBondContact O-CG2 3.06Å; H1462-V1466 PolarHBondContact O-N 3.46Å; V1466-L1469 PolarHBondContact O-N 2.7Å; V1466-N1470 WeakPolarHBondContact CG1-ND2 3.4Å; V1466-N1470 WeakPolarHBondContact O-CB 3.39Å; V1466-N1470 PolarHBondContact O-N 3.49Å; V1466-N1470 PolarHBondContact O-ND2 2.83Å |
| 1467 | N | 80.6 | Confident | 80.4 | Confident | 105 Ų | 105 | 92.6 Ų | 92.6 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.3 | -36.4 | 175.4 | -77.8 | -44.4 | 0 | 0 | 0 | 112.3 | A1463 E1464 S1471 | A1463-N1467 WeakPolarHBondContact O-CB 3.05Å; A1463-N1467 PolarHBondContact O-N 3.45Å; A1463-N1467 PolarHBondContact O-ND2 2.8Å; E1464-N1467 PolarHBondContact O-N 3.47Å; N1467-S1471 WeakPolarHBondContact O-CB 2.96Å; N1467-S1471 PolarHBondContact O-N 3.35Å |
| 1468 | Q | 84.1 | Confident | 80.8 | Confident | 116 Ų | 116 | 87.7 Ų | 87.7 | 54% | 0.542 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 171.4 | -73.2 | 172.3 | 29.1 | 0 | 0 | 111.2 | E1464 T1465 S1471 F1472 | E1464-Q1468 VanDerWaalsContact O-CG 3.28Å; E1464-Q1468 WeakPolarHBondContact O-CG 3.24Å; E1464-Q1468 PolarHBondContact O-N 3.25Å; T1465-Q1468 PolarHBondContact O-N 2.8Å; Q1468-S1471 WeakPolarHBondContact O-CB 3.29Å; Q1468-S1471 PolarHBondContact O-N 3.09Å; Q1468-S1471 VanDerWaalsContact O-N 3.17Å; Q1468-F1472 HydrophobicContact CB-CE2 4.49Å; Q1468-F1472 WeakPolarHBondContact O-CD2 3.42Å; Q1468-F1472 PolarHBondContact O-N 3.16Å |
| 1469 | L | 80.1 | Confident | 81.5 | Confident | 107 Ų | 107 | 90 Ų | 90 | 56% | 0.56 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.4 | -42.6 | -179.9 | -166 | 150.1 | 0 | 0 | 0 | 111.8 | T1465 V1466 S1471 F1472 Q1473 | T1465-L1469 WeakPolarHBondContact O-CB 2.95Å; T1465-L1469 PolarHBondContact O-N 3.48Å; V1466-L1469 PolarHBondContact O-N 2.7Å; L1469-S1471 VanDerWaalsContact C-N 3.32Å; L1469-S1471 PolarHBondContact O-N 2.73Å; L1469-F1472 PolarHBondContact O-N 3.43Å; L1469-Q1473 VanDerWaalsContact O-CB 3.3Å; L1469-Q1473 WeakPolarHBondContact O-CB 2.95Å; L1469-Q1473 PolarHBondContact O-N 3.36Å |
| 1470 | N | 81.4 | Confident | 82 | Confident | 86 Ų | 86 | 91.8 Ų | 91.8 | 46% | 0.46 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 171.8 | -74.6 | -25 | 0 | 0 | 0 | 112.2 | V1466 Q1473 A1474 | V1466-N1470 WeakPolarHBondContact CG1-ND2 3.4Å; V1466-N1470 WeakPolarHBondContact O-CB 3.39Å; V1466-N1470 PolarHBondContact O-N 3.49Å; V1466-N1470 PolarHBondContact O-ND2 2.83Å; N1470-Q1473 PolarHBondContact O-N 2.94Å; N1470-A1474 WeakPolarHBondContact O-CB 2.93Å; N1470-A1474 PolarHBondContact O-N 2.79Å |
| 1471 | S | 84 | Confident | 82.2 | Confident | 58 Ų | 58 | 95.2 Ų | 95.2 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -47.2 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | N1467 Q1468 L1469 Q1473 A1474 Q1475 | N1467-S1471 WeakPolarHBondContact O-CB 2.96Å; N1467-S1471 PolarHBondContact O-N 3.35Å; Q1468-S1471 WeakPolarHBondContact O-CB 3.29Å; Q1468-S1471 PolarHBondContact O-N 3.09Å; Q1468-S1471 VanDerWaalsContact O-N 3.17Å; L1469-S1471 VanDerWaalsContact C-N 3.32Å; L1469-S1471 PolarHBondContact O-N 2.73Å; S1471-Q1473 VanDerWaalsContact C-N 3.34Å; S1471-Q1473 PolarHBondContact O-N 3.4Å; S1471-A1474 PolarHBondContact O-N 3.18Å; S1471-Q1475 WeakPolarHBondContact O-CB 3.46Å; S1471-Q1475 VanDerWaalsContact O-CG 3.25Å; S1471-Q1475 WeakPolarHBondContact O-CG 3.15Å; S1471-Q1475 PolarHBondContact O-N 2.82Å; S1471-Q1475 PolarHBondContact OG-NE2 2.83Å |
| 1472 | F | 83.9 | Confident | 82.5 | Confident | 140 Ų | 140 | 96.6 Ų | 96.6 | 61% | 0.614 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.2 | -40.3 | 173.9 | -71.5 | -55.9 | 0 | 0 | 0 | 112.1 | Q1468 L1469 Q1475 K1476 | Q1468-F1472 HydrophobicContact CB-CE2 4.49Å; Q1468-F1472 WeakPolarHBondContact O-CD2 3.42Å; Q1468-F1472 PolarHBondContact O-N 3.16Å; L1469-F1472 PolarHBondContact O-N 3.43Å; F1472-Q1475 PolarHBondContact O-N 2.99Å; F1472-K1476 VanDerWaalsContact O-CB 3.3Å; F1472-K1476 WeakPolarHBondContact O-CB 2.98Å; F1472-K1476 PolarHBondContact O-N 2.82Å |
| 1473 | Q | 82.1 | Confident | 83.1 | Confident | 95 Ų | 95 | 94.2 Ų | 94.2 | 44% | 0.444 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.6 | -41.4 | 178 | -174.5 | 157.2 | -29.3 | 0 | 0 | 111.8 | L1469 N1470 S1471 Q1475 K1476 D1477 | L1469-Q1473 VanDerWaalsContact O-CB 3.3Å; L1469-Q1473 WeakPolarHBondContact O-CB 2.95Å; L1469-Q1473 PolarHBondContact O-N 3.36Å; N1470-Q1473 PolarHBondContact O-N 2.94Å; S1471-Q1473 VanDerWaalsContact C-N 3.34Å; S1471-Q1473 PolarHBondContact O-N 3.4Å; Q1473-Q1475 PolarHBondContact O-N 3Å; Q1473-K1476 PolarHBondContact O-N 2.61Å; Q1473-D1477 WeakPolarHBondContact O-CB 3.04Å; Q1473-D1477 PolarHBondContact O-N 2.84Å |
| 1474 | A | 83.1 | Confident | 83.6 | Confident | 59 Ų | 59 | 96 Ų | 96 | 49% | 0.488 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64 | -38 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1470 S1471 A1478 | N1470-A1474 WeakPolarHBondContact O-CB 2.93Å; N1470-A1474 PolarHBondContact O-N 2.79Å; S1471-A1474 PolarHBondContact O-N 3.18Å; A1474-A1478 WeakPolarHBondContact O-CB 3.48Å; A1474-A1478 PolarHBondContact O-N 3.04Å |
| 1475 | Q | 85.2 | Confident | 83.9 | Confident | 114 Ų | 114 | 96.2 Ų | 96.2 | 53% | 0.533 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 172.7 | -73 | 170.6 | 35.2 | 0 | 0 | 111.8 | S1471 F1472 Q1473 A1478 F1479 | S1471-Q1475 WeakPolarHBondContact O-CB 3.46Å; S1471-Q1475 VanDerWaalsContact O-CG 3.25Å; S1471-Q1475 WeakPolarHBondContact O-CG 3.15Å; S1471-Q1475 PolarHBondContact O-N 2.82Å; S1471-Q1475 PolarHBondContact OG-NE2 2.83Å; F1472-Q1475 PolarHBondContact O-N 2.99Å; Q1473-Q1475 PolarHBondContact O-N 3Å; Q1475-A1478 PolarHBondContact O-N 3.32Å; Q1475-F1479 WeakPolarHBondContact O-CB 3.46Å; Q1475-F1479 PolarHBondContact O-N 2.86Å |
| 1476 | K | 84.4 | Confident | 84.2 | Confident | 115 Ų | 115 | 97.7 Ų | 97.7 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 176.8 | -172.8 | -137.8 | 72.7 | -161.4 | 0 | 111.4 | F1472 Q1473 F1479 Y1480 | F1472-K1476 VanDerWaalsContact O-CB 3.3Å; F1472-K1476 WeakPolarHBondContact O-CB 2.98Å; F1472-K1476 PolarHBondContact O-N 2.82Å; Q1473-K1476 PolarHBondContact O-N 2.61Å; K1476-F1479 PolarHBondContact O-N 3.24Å; K1476-Y1480 WeakPolarHBondContact O-CB 3.31Å; K1476-Y1480 PolarHBondContact O-N 2.94Å |
| 1477 | D | 84.9 | Confident | 84.6 | Confident | 67 Ų | 67 | 99.1 Ų | 99.1 | 36% | 0.358 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.5 | -36.1 | 178.7 | -67.6 | -18.5 | 0 | 0 | 0 | 111.3 | Q1473 Y1480 Q1481 | Q1473-D1477 WeakPolarHBondContact O-CB 3.04Å; Q1473-D1477 PolarHBondContact O-N 2.84Å; D1477-Y1480 PolarHBondContact O-N 3.01Å; D1477-Q1481 WeakPolarHBondContact O-CG 3.46Å; D1477-Q1481 PolarHBondContact O-N 2.89Å |
| 1478 | A | 85.2 | Confident | 84.9 | Confident | 51 Ų | 51 | 98.2 Ų | 98.2 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.9 | -42.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1474 Q1475 Y1480 Q1481 E1482 | A1474-A1478 WeakPolarHBondContact O-CB 3.48Å; A1474-A1478 PolarHBondContact O-N 3.04Å; Q1475-A1478 PolarHBondContact O-N 3.32Å; A1478-Y1480 VanDerWaalsContact C-N 3.31Å; A1478-Y1480 PolarHBondContact O-N 3.22Å; A1478-Q1481 PolarHBondContact O-N 2.82Å; A1478-E1482 PolarHBondContact O-N 3.07Å |
| 1479 | F | 86.2 | Confident | 85.1 | Confident | 145 Ų | 145 | 97.8 Ų | 97.8 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.1 | -38.6 | 173.5 | -177.5 | -94.3 | 0 | 0 | 0 | 111.5 | Q1475 K1476 E1482 M1483 | Q1475-F1479 WeakPolarHBondContact O-CB 3.46Å; Q1475-F1479 PolarHBondContact O-N 2.86Å; K1476-F1479 PolarHBondContact O-N 3.24Å; F1479-E1482 PolarHBondContact O-N 3.32Å; F1479-M1483 VanDerWaalsContact O-CB 3.32Å; F1479-M1483 WeakPolarHBondContact O-CB 3.17Å; F1479-M1483 PolarHBondContact O-N 3.17Å |
| 1480 | Y | 83.4 | Confident | 85.4 | Confident | 145 Ų | 145 | 98 Ų | 98 | 57% | 0.569 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.7 | -37.5 | 175.5 | -154.9 | -99.2 | 0 | 0 | 0 | 112 | K1476 D1477 A1478 M1483 L1484 | K1476-Y1480 WeakPolarHBondContact O-CB 3.31Å; K1476-Y1480 PolarHBondContact O-N 2.94Å; D1477-Y1480 PolarHBondContact O-N 3.01Å; A1478-Y1480 VanDerWaalsContact C-N 3.31Å; A1478-Y1480 PolarHBondContact O-N 3.22Å; Y1480-M1483 PolarHBondContact O-N 2.97Å; Y1480-L1484 HydrophobicContact CD1-CD1 3.69Å; Y1480-L1484 HydrophobicContact CD1-CG 4.15Å; Y1480-L1484 HydrophobicContact CE1-CD1 3.77Å; Y1480-L1484 HydrophobicContact CE1-CG 4.15Å; Y1480-L1484 WeakPolarHBondContact O-CB 2.98Å; Y1480-L1484 VanDerWaalsContact O-CG 3.29Å; Y1480-L1484 WeakPolarHBondContact O-CG 2.91Å; Y1480-L1484 PolarHBondContact O-N 3.35Å |
| 1481 | Q | 84.9 | Confident | 85.7 | Confident | 131 Ų | 131 | 99.7 Ų | 99.7 | 61% | 0.612 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64 | -44.6 | 170 | -77.5 | -178.9 | -5.3 | 0 | 0 | 112.2 | D1477 A1478 M1483 L1484 E1485 | D1477-Q1481 WeakPolarHBondContact O-CG 3.46Å; D1477-Q1481 PolarHBondContact O-N 2.89Å; A1478-Q1481 PolarHBondContact O-N 2.82Å; Q1481-M1483 VanDerWaalsContact C-N 3.28Å; Q1481-M1483 PolarHBondContact O-N 3.34Å; Q1481-L1484 PolarHBondContact O-N 3.33Å; Q1481-E1485 WeakPolarHBondContact O-CB 3.35Å; Q1481-E1485 PolarHBondContact O-N 2.72Å |
| 1482 | E | 85.7 | Confident | 86 | Confident | 96 Ų | 96 | 100.1 Ų | 100.1 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 178.3 | -157.5 | -161.3 | 154.9 | 0 | 0 | 111.7 | A1478 F1479 K1486 | A1478-E1482 PolarHBondContact O-N 3.07Å; F1479-E1482 PolarHBondContact O-N 3.32Å; E1482-K1486 VanDerWaalsContact CD-NZ 3.25Å; E1482-K1486 WeakPolarHBondContact O-CD 2.86Å; E1482-K1486 VanDerWaalsContact O-CG 3.26Å; E1482-K1486 WeakPolarHBondContact O-CG 2.83Å; E1482-K1486 PolarHBondContact O-N 3.49Å; E1482-K1486 VanDerWaalsContact O-N 3.08Å; E1482-K1486 WeakPolarHBondContact OE1-CE 3.15Å; E1482-K1486 IonicContact OE1-NZ 3.24Å; E1482-K1486 PolarHBondContact OE1-NZ 3.34Å; E1482-K1486 IonicContact OE2-NZ 3.12Å |
| 1483 | M | 88.4 | Confident | 86.1 | Confident | 76 Ų | 76 | 99.4 Ų | 99.4 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.6 | -48.4 | 174.2 | -172.4 | -91.5 | 168.7 | 0 | 0 | 111.5 | F1479 Y1480 Q1481 E1485 K1486 D1487 | F1479-M1483 VanDerWaalsContact O-CB 3.32Å; F1479-M1483 WeakPolarHBondContact O-CB 3.17Å; F1479-M1483 PolarHBondContact O-N 3.17Å; Y1480-M1483 PolarHBondContact O-N 2.97Å; Q1481-M1483 VanDerWaalsContact C-N 3.28Å; Q1481-M1483 PolarHBondContact O-N 3.34Å; M1483-E1485 VanDerWaalsContact C-N 3.29Å; M1483-E1485 PolarHBondContact O-N 2.95Å; M1483-K1486 WeakPolarHBondContact O-CB 3.03Å; M1483-K1486 PolarHBondContact O-N 2.72Å; M1483-K1486 VanDerWaalsContact O-N 3.08Å; M1483-D1487 WeakPolarHBondContact CE-OD2 3.17Å; M1483-D1487 PolarHBondContact O-N 2.96Å |
| 1484 | L | 87.1 | Confident | 86.5 | Confident | 82 Ų | 82 | 99.4 Ų | 99.4 | 43% | 0.429 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -35.9 | 173.3 | -74.7 | 172.5 | 0 | 0 | 0 | 112.7 | Y1480 Q1481 T1488 | Y1480-L1484 HydrophobicContact CD1-CD1 3.69Å; Y1480-L1484 HydrophobicContact CD1-CG 4.15Å; Y1480-L1484 HydrophobicContact CE1-CD1 3.77Å; Y1480-L1484 HydrophobicContact CE1-CG 4.15Å; Y1480-L1484 WeakPolarHBondContact O-CB 2.98Å; Y1480-L1484 VanDerWaalsContact O-CG 3.29Å; Y1480-L1484 WeakPolarHBondContact O-CG 2.91Å; Y1480-L1484 PolarHBondContact O-N 3.35Å; Q1481-L1484 PolarHBondContact O-N 3.33Å; L1484-T1488 VanDerWaalsContact O-CB 3.24Å; L1484-T1488 WeakPolarHBondContact O-CB 3.42Å; L1484-T1488 PolarHBondContact O-N 3.38Å; L1484-T1488 PolarHBondContact O-OG1 2.95Å |
| 1485 | E | 87.6 | Confident | 86.8 | Confident | 103 Ų | 103 | 99.8 Ų | 99.8 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 173 | -89.4 | -161.7 | -149.8 | 0 | 0 | 112 | Q1481 M1483 K1489 | Q1481-E1485 WeakPolarHBondContact O-CB 3.35Å; Q1481-E1485 PolarHBondContact O-N 2.72Å; M1483-E1485 VanDerWaalsContact C-N 3.29Å; M1483-E1485 PolarHBondContact O-N 2.95Å; E1485-K1489 WeakPolarHBondContact O-CB 3.46Å; E1485-K1489 VanDerWaalsContact O-CD 3.26Å; E1485-K1489 WeakPolarHBondContact O-CD 3.29Å; E1485-K1489 WeakPolarHBondContact O-CG 2.95Å; E1485-K1489 PolarHBondContact O-N 3.35Å; E1485-K1489 IonicContact OE2-NZ 3.9Å; E1485-K1489 PolarHBondContact OE2-NZ 3.05Å |
| 1486 | K | 87 | Confident | 87 | Confident | 107 Ų | 107 | 100.2 Ų | 100.2 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.7 | -45.2 | 176.8 | -74.3 | 164.1 | -172.9 | 167.4 | 0 | 111.3 | E1482 M1483 T1488 K1489 L1490 | E1482-K1486 VanDerWaalsContact CD-NZ 3.25Å; E1482-K1486 WeakPolarHBondContact O-CD 2.86Å; E1482-K1486 VanDerWaalsContact O-CG 3.26Å; E1482-K1486 WeakPolarHBondContact O-CG 2.83Å; E1482-K1486 PolarHBondContact O-N 3.49Å; E1482-K1486 VanDerWaalsContact O-N 3.08Å; E1482-K1486 WeakPolarHBondContact OE1-CE 3.15Å; E1482-K1486 IonicContact OE1-NZ 3.24Å; E1482-K1486 PolarHBondContact OE1-NZ 3.34Å; E1482-K1486 IonicContact OE2-NZ 3.12Å; M1483-K1486 WeakPolarHBondContact O-CB 3.03Å; M1483-K1486 PolarHBondContact O-N 2.72Å; M1483-K1486 VanDerWaalsContact O-N 3.08Å; K1486-T1488 VanDerWaalsContact C-N 3.35Å; K1486-T1488 PolarHBondContact O-N 3.33Å; K1486-K1489 PolarHBondContact O-N 3.13Å; K1486-L1490 WeakPolarHBondContact O-CB 3.42Å; K1486-L1490 PolarHBondContact O-N 3.38Å |
| 1487 | D | 87.4 | Confident | 87.1 | Confident | 84 Ų | 84 | 100.9 Ų | 100.9 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 174.8 | -82.5 | 15.2 | 0 | 0 | 0 | 111.5 | M1483 L1490 F1491 | M1483-D1487 WeakPolarHBondContact CE-OD2 3.17Å; M1483-D1487 PolarHBondContact O-N 2.96Å; D1487-L1490 PolarHBondContact O-N 3.3Å; D1487-F1491 VanDerWaalsContact O-CB 3.31Å; D1487-F1491 WeakPolarHBondContact O-CB 3.02Å; D1487-F1491 PolarHBondContact O-N 2.86Å |
| 1488 | T | 87 | Confident | 87.2 | Confident | 86 Ų | 86 | 101.8 Ų | 101.8 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.2 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | L1484 K1486 F1491 T1492 | L1484-T1488 VanDerWaalsContact O-CB 3.24Å; L1484-T1488 WeakPolarHBondContact O-CB 3.42Å; L1484-T1488 PolarHBondContact O-N 3.38Å; L1484-T1488 PolarHBondContact O-OG1 2.95Å; K1486-T1488 VanDerWaalsContact C-N 3.35Å; K1486-T1488 PolarHBondContact O-N 3.33Å; T1488-F1491 PolarHBondContact O-N 2.86Å; T1488-T1492 PolarHBondContact O-N 2.9Å; T1488-T1492 PolarHBondContact O-OG1 2.83Å; T1488-T1492 VanDerWaalsContact O-OG1 3.13Å |
| 1489 | K | 87.7 | Confident | 87.3 | Confident | 106 Ų | 106 | 105.3 Ų | 105.3 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 177.1 | -73.8 | 160.5 | -165.1 | 165.7 | 0 | 111.6 | E1485 K1486 T1492 Q1493 | E1485-K1489 WeakPolarHBondContact O-CB 3.46Å; E1485-K1489 VanDerWaalsContact O-CD 3.26Å; E1485-K1489 WeakPolarHBondContact O-CD 3.29Å; E1485-K1489 WeakPolarHBondContact O-CG 2.95Å; E1485-K1489 PolarHBondContact O-N 3.35Å; E1485-K1489 IonicContact OE2-NZ 3.9Å; E1485-K1489 PolarHBondContact OE2-NZ 3.05Å; K1486-K1489 PolarHBondContact O-N 3.13Å; K1489-T1492 WeakPolarHBondContact CA-OG1 3.23Å; K1489-T1492 PolarHBondContact O-N 3.25Å; K1489-T1492 PolarHBondContact O-OG1 3.48Å; K1489-Q1493 WeakPolarHBondContact O-CG 3.46Å; K1489-Q1493 PolarHBondContact O-N 3.21Å |
| 1490 | L | 87.3 | Confident | 87.4 | Confident | 112 Ų | 112 | 103.7 Ų | 103.7 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.4 | -40.2 | 177.1 | -168.9 | 152.9 | 0 | 0 | 0 | 111.5 | K1486 D1487 Q1493 K1494 | K1486-L1490 WeakPolarHBondContact O-CB 3.42Å; K1486-L1490 PolarHBondContact O-N 3.38Å; D1487-L1490 PolarHBondContact O-N 3.3Å; L1490-Q1493 PolarHBondContact O-N 3.3Å; L1490-K1494 WeakPolarHBondContact O-CB 3.48Å; L1490-K1494 PolarHBondContact O-N 3.44Å |
| 1491 | F | 87.9 | Confident | 87.7 | Confident | 122 Ų | 122 | 103 Ų | 103 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 173.5 | -172.2 | -101.9 | 0 | 0 | 0 | 112.1 | D1487 T1488 K1494 N1495 | D1487-F1491 VanDerWaalsContact O-CB 3.31Å; D1487-F1491 WeakPolarHBondContact O-CB 3.02Å; D1487-F1491 PolarHBondContact O-N 2.86Å; T1488-F1491 PolarHBondContact O-N 2.86Å; F1491-K1494 PolarHBondContact O-N 3.2Å; F1491-N1495 WeakPolarHBondContact CE1-ND2 3.26Å; F1491-N1495 WeakPolarHBondContact O-CB 3.41Å; F1491-N1495 PolarHBondContact O-N 3.45Å; F1491-N1495 PolarHBondContact O-OD1 2.59Å |
| 1492 | T | 89.2 | Confident | 87.8 | Confident | 67 Ų | 67 | 103.2 Ų | 103.2 | 41% | 0.411 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 173.4 | 47.6 | 0 | 0 | 0 | 0 | 112.1 | T1488 K1489 K1494 N1495 E1496 | T1488-T1492 PolarHBondContact O-N 2.9Å; T1488-T1492 PolarHBondContact O-OG1 2.83Å; T1488-T1492 VanDerWaalsContact O-OG1 3.13Å; K1489-T1492 WeakPolarHBondContact CA-OG1 3.23Å; K1489-T1492 PolarHBondContact O-N 3.25Å; K1489-T1492 PolarHBondContact O-OG1 3.48Å; T1492-K1494 VanDerWaalsContact C-N 3.33Å; T1492-K1494 PolarHBondContact O-N 3.39Å; T1492-N1495 PolarHBondContact O-N 2.62Å; T1492-E1496 WeakPolarHBondContact O-CB 3.3Å; T1492-E1496 WeakPolarHBondContact O-CG 3.43Å; T1492-E1496 PolarHBondContact O-N 2.95Å |
| 1493 | Q | 87.6 | Confident | 87.8 | Confident | 125 Ų | 125 | 104 Ų | 104 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -36.6 | 175.7 | -74.6 | 178 | -17.4 | 0 | 0 | 112.3 | K1489 L1490 E1496 M1497 | K1489-Q1493 WeakPolarHBondContact O-CG 3.46Å; K1489-Q1493 PolarHBondContact O-N 3.21Å; L1490-Q1493 PolarHBondContact O-N 3.3Å; Q1493-E1496 PolarHBondContact O-N 3Å; Q1493-M1497 WeakPolarHBondContact O-CG 2.98Å; Q1493-M1497 PolarHBondContact O-N 3.46Å |
| 1494 | K | 90.2 | Very high | 87.7 | Confident | 95 Ų | 95 | 105.2 Ų | 105.2 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -46.1 | 173.8 | -176 | 176.1 | 177.9 | -78.2 | 0 | 111.3 | L1490 F1491 T1492 E1496 M1497 E1498 | L1490-K1494 WeakPolarHBondContact O-CB 3.48Å; L1490-K1494 PolarHBondContact O-N 3.44Å; F1491-K1494 PolarHBondContact O-N 3.2Å; T1492-K1494 VanDerWaalsContact C-N 3.33Å; T1492-K1494 PolarHBondContact O-N 3.39Å; K1494-E1496 VanDerWaalsContact C-N 3.32Å; K1494-E1496 PolarHBondContact O-N 2.85Å; K1494-M1497 PolarHBondContact O-N 3.11Å; K1494-E1498 VanDerWaalsContact CE-OE1 3.28Å; K1494-E1498 WeakPolarHBondContact CE-OE1 3.07Å; K1494-E1498 IonicContact NZ-OE1 3.16Å; K1494-E1498 PolarHBondContact NZ-OE1 3.25Å; K1494-E1498 IonicContact NZ-OE2 2.81Å; K1494-E1498 PolarHBondContact NZ-OE2 3.16Å; K1494-E1498 PolarHBondContact O-N 3.25Å |
| 1495 | N | 89 | Confident | 87.7 | Confident | 67 Ų | 67 | 106.3 Ų | 106.3 | 36% | 0.358 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -35 | 176.3 | -73.7 | 5.3 | 0 | 0 | 0 | 112.2 | F1491 T1492 K1499 | F1491-N1495 WeakPolarHBondContact CE1-ND2 3.26Å; F1491-N1495 WeakPolarHBondContact O-CB 3.41Å; F1491-N1495 PolarHBondContact O-N 3.45Å; F1491-N1495 PolarHBondContact O-OD1 2.59Å; T1492-N1495 PolarHBondContact O-N 2.62Å; N1495-K1499 WeakPolarHBondContact O-CB 3.42Å; N1495-K1499 PolarHBondContact O-N 3.18Å |
| 1496 | E | 89 | Confident | 87.6 | Confident | 123 Ų | 123 | 105.5 Ų | 105.5 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65 | -42.7 | 171.9 | -75.4 | 177 | 159.5 | 0 | 0 | 111.4 | T1492 Q1493 K1494 L1500 | T1492-E1496 WeakPolarHBondContact O-CB 3.3Å; T1492-E1496 WeakPolarHBondContact O-CG 3.43Å; T1492-E1496 PolarHBondContact O-N 2.95Å; Q1493-E1496 PolarHBondContact O-N 3Å; K1494-E1496 VanDerWaalsContact C-N 3.32Å; K1494-E1496 PolarHBondContact O-N 2.85Å; E1496-L1500 VanDerWaalsContact O-CB 3.31Å; E1496-L1500 WeakPolarHBondContact O-CB 3.27Å; E1496-L1500 WeakPolarHBondContact O-CG 3.35Å; E1496-L1500 PolarHBondContact O-N 2.9Å |
| 1497 | M | 85.8 | Confident | 87.3 | Confident | 128 Ų | 128 | 103.6 Ų | 103.6 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.6 | -40 | 174.2 | -73.1 | -133.5 | -61.4 | 0 | 0 | 113.4 | Q1493 K1494 L1500 K1501 | Q1493-M1497 WeakPolarHBondContact O-CG 2.98Å; Q1493-M1497 PolarHBondContact O-N 3.46Å; K1494-M1497 PolarHBondContact O-N 3.11Å; M1497-L1500 PolarHBondContact O-N 3.04Å; M1497-K1501 WeakPolarHBondContact O-CG 2.9Å; M1497-K1501 PolarHBondContact O-N 3.37Å |
| 1498 | E | 88.1 | Confident | 87.2 | Confident | 87 Ų | 87 | 103.6 Ų | 103.6 | 41% | 0.407 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -42 | 176.4 | -75.2 | 177.1 | 159.9 | 0 | 0 | 110.6 | K1494 L1500 K1501 E1502 | K1494-E1498 VanDerWaalsContact CE-OE1 3.28Å; K1494-E1498 WeakPolarHBondContact CE-OE1 3.07Å; K1494-E1498 IonicContact NZ-OE1 3.16Å; K1494-E1498 PolarHBondContact NZ-OE1 3.25Å; K1494-E1498 IonicContact NZ-OE2 2.81Å; K1494-E1498 PolarHBondContact NZ-OE2 3.16Å; K1494-E1498 PolarHBondContact O-N 3.25Å; E1498-L1500 PolarHBondContact O-N 3.08Å; E1498-K1501 CarbonylContact O-C 3.21Å; E1498-K1501 WeakPolarHBondContact O-CB 3.02Å; E1498-K1501 PolarHBondContact O-N 2.79Å; E1498-K1501 VanDerWaalsContact O-N 3.15Å; E1498-E1502 PolarHBondContact O-N 2.94Å |
| 1499 | K | 87.6 | Confident | 87.1 | Confident | 124 Ų | 124 | 106.9 Ų | 106.9 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 173.4 | -172.1 | 179.3 | -177.1 | -179.1 | 0 | 113.1 | N1495 K1501 E1502 Q1503 | N1495-K1499 WeakPolarHBondContact O-CB 3.42Å; N1495-K1499 PolarHBondContact O-N 3.18Å; K1499-K1501 VanDerWaalsContact C-N 3.31Å; K1499-E1502 PolarHBondContact O-N 2.81Å; K1499-Q1503 WeakPolarHBondContact O-CB 3.18Å; K1499-Q1503 VanDerWaalsContact O-CG 3.28Å; K1499-Q1503 WeakPolarHBondContact O-CG 3.25Å; K1499-Q1503 PolarHBondContact O-N 3.35Å |
| 1500 | L | 87 | Confident | 86.9 | Confident | 111 Ų | 111 | 106.6 Ų | 106.6 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.6 | -31.7 | 173.8 | -76.5 | 167.9 | 0 | 0 | 0 | 111.9 | E1496 M1497 E1498 L1504 | E1496-L1500 VanDerWaalsContact O-CB 3.31Å; E1496-L1500 WeakPolarHBondContact O-CB 3.27Å; E1496-L1500 WeakPolarHBondContact O-CG 3.35Å; E1496-L1500 PolarHBondContact O-N 2.9Å; M1497-L1500 PolarHBondContact O-N 3.04Å; E1498-L1500 PolarHBondContact O-N 3.08Å; L1500-L1504 WeakPolarHBondContact O-CB 3.32Å; L1500-L1504 PolarHBondContact O-N 2.82Å |
| 1501 | K | 89.5 | Confident | 86.6 | Confident | 131 Ų | 131 | 108.2 Ų | 108.2 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -69.7 | -45.9 | 169.8 | -76.7 | 179.8 | 174.5 | -171.9 | 0 | 112.3 | M1497 E1498 K1499 Q1503 L1504 E1505 | M1497-K1501 WeakPolarHBondContact O-CG 2.9Å; M1497-K1501 PolarHBondContact O-N 3.37Å; E1498-K1501 CarbonylContact O-C 3.21Å; E1498-K1501 WeakPolarHBondContact O-CB 3.02Å; E1498-K1501 PolarHBondContact O-N 2.79Å; E1498-K1501 VanDerWaalsContact O-N 3.15Å; K1499-K1501 VanDerWaalsContact C-N 3.31Å; K1501-Q1503 VanDerWaalsContact C-N 3.29Å; K1501-Q1503 PolarHBondContact O-N 2.87Å; K1501-L1504 CarbonylContact O-C 3.57Å; K1501-L1504 WeakPolarHBondContact O-CB 3.17Å; K1501-L1504 PolarHBondContact O-N 3.1Å; K1501-L1504 VanDerWaalsContact O-N 3.1Å; K1501-E1505 WeakPolarHBondContact O-CB 2.69Å; K1501-E1505 WeakPolarHBondContact O-CG 3.47Å; K1501-E1505 PolarHBondContact O-N 3.38Å |
| 1502 | E | 87.9 | Confident | 86.4 | Confident | 135 Ų | 135 | 106.2 Ų | 106.2 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.4 | -42.5 | 174.4 | -72.8 | -179.2 | 151.9 | 0 | 0 | 111.2 | E1498 K1499 L1504 E1505 E1506 | E1498-E1502 PolarHBondContact O-N 2.94Å; K1499-E1502 PolarHBondContact O-N 2.81Å; E1502-L1504 VanDerWaalsContact C-N 3.34Å; E1502-L1504 PolarHBondContact O-N 3.15Å; E1502-E1505 PolarHBondContact O-N 2.94Å; E1502-E1506 WeakPolarHBondContact O-CB 3.13Å; E1502-E1506 PolarHBondContact O-N 2.89Å |
| 1503 | Q | 86.5 | Confident | 86.1 | Confident | 112 Ų | 112 | 107.3 Ų | 107.3 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.6 | -34.4 | 175 | -75.4 | -179.7 | -25.7 | 0 | 0 | 112.9 | K1499 K1501 S1507 | K1499-Q1503 WeakPolarHBondContact O-CB 3.18Å; K1499-Q1503 VanDerWaalsContact O-CG 3.28Å; K1499-Q1503 WeakPolarHBondContact O-CG 3.25Å; K1499-Q1503 PolarHBondContact O-N 3.35Å; K1501-Q1503 VanDerWaalsContact C-N 3.29Å; K1501-Q1503 PolarHBondContact O-N 2.87Å; Q1503-S1507 VanDerWaalsContact O-CB 3.25Å; Q1503-S1507 WeakPolarHBondContact O-CB 3Å; Q1503-S1507 PolarHBondContact O-N 2.85Å |
| 1504 | L | 85.4 | Confident | 85.8 | Confident | 103 Ų | 103 | 106 Ų | 106 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.8 | -56.5 | 172.4 | -177.5 | 62.9 | 0 | 0 | 0 | 110.4 | L1500 K1501 E1502 E1506 S1507 E1508 | L1500-L1504 WeakPolarHBondContact O-CB 3.32Å; L1500-L1504 PolarHBondContact O-N 2.82Å; K1501-L1504 CarbonylContact O-C 3.57Å; K1501-L1504 WeakPolarHBondContact O-CB 3.17Å; K1501-L1504 PolarHBondContact O-N 3.1Å; K1501-L1504 VanDerWaalsContact O-N 3.1Å; E1502-L1504 VanDerWaalsContact C-N 3.34Å; E1502-L1504 PolarHBondContact O-N 3.15Å; L1504-E1506 VanDerWaalsContact C-N 3.28Å; L1504-E1506 PolarHBondContact O-N 2.78Å; L1504-S1507 CarbonylContact O-C 3.59Å; L1504-S1507 WeakPolarHBondContact O-CA 3.12Å; L1504-S1507 WeakPolarHBondContact O-CB 3.41Å; L1504-S1507 PolarHBondContact O-N 2.79Å; L1504-E1508 HydrophobicContact CD1-CG 4.31Å; L1504-E1508 HydrophobicContact CG-CG 4.42Å; L1504-E1508 VanDerWaalsContact O-CG 3.23Å; L1504-E1508 WeakPolarHBondContact O-CG 3.14Å; L1504-E1508 PolarHBondContact O-N 2.89Å |
| 1505 | E | 86.6 | Confident | 85.4 | Confident | 105 Ų | 105 | 104.1 Ų | 104.1 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.9 | -38.2 | 179.2 | -72.9 | -178.7 | -153 | 0 | 0 | 112.7 | K1501 E1502 E1508 R1509 | K1501-E1505 WeakPolarHBondContact O-CB 2.69Å; K1501-E1505 WeakPolarHBondContact O-CG 3.47Å; K1501-E1505 PolarHBondContact O-N 3.38Å; E1502-E1505 PolarHBondContact O-N 2.94Å; E1505-E1508 PolarHBondContact O-N 3.35Å; E1505-R1509 WeakPolarHBondContact O-CB 3.37Å; E1505-R1509 WeakPolarHBondContact O-CG 3.28Å; E1505-R1509 PolarHBondContact O-N 3.49Å |
| 1506 | E | 85.5 | Confident | 84.9 | Confident | 85 Ų | 85 | 106.4 Ų | 106.4 | 40% | 0.397 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.3 | -40.5 | 174.4 | -179.6 | 56 | -161.6 | 0 | 0 | 111.7 | E1502 L1504 E1508 R1509 Q1510 | E1502-E1506 WeakPolarHBondContact O-CB 3.13Å; E1502-E1506 PolarHBondContact O-N 2.89Å; L1504-E1506 VanDerWaalsContact C-N 3.28Å; L1504-E1506 PolarHBondContact O-N 2.78Å; E1506-E1508 VanDerWaalsContact C-N 3.26Å; E1506-E1508 PolarHBondContact O-N 3.28Å; E1506-R1509 PolarHBondContact O-N 2.97Å; E1506-Q1510 WeakPolarHBondContact O-CB 3.25Å; E1506-Q1510 VanDerWaalsContact O-CG 3.31Å; E1506-Q1510 WeakPolarHBondContact O-CG 3.23Å; E1506-Q1510 PolarHBondContact O-N 3.35Å; E1506-Q1510 WeakPolarHBondContact OE1-CG 3.36Å; E1506-Q1510 PolarHBondContact OE1-NE2 2.92Å |
| 1507 | S | 81.3 | Confident | 84.3 | Confident | 68 Ų | 68 | 104.4 Ų | 104.4 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -33.5 | 171.2 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | Q1503 L1504 R1511 | Q1503-S1507 VanDerWaalsContact O-CB 3.25Å; Q1503-S1507 WeakPolarHBondContact O-CB 3Å; Q1503-S1507 PolarHBondContact O-N 2.85Å; L1504-S1507 CarbonylContact O-C 3.59Å; L1504-S1507 WeakPolarHBondContact O-CA 3.12Å; L1504-S1507 WeakPolarHBondContact O-CB 3.41Å; L1504-S1507 PolarHBondContact O-N 2.79Å; S1507-R1511 WeakPolarHBondContact O-CB 3.47Å; S1507-R1511 PolarHBondContact O-N 3.44Å |
| 1508 | E | 85.5 | Confident | 83.7 | Confident | 83 Ų | 83 | 104.2 Ų | 104.2 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75.4 | -37 | 175.7 | -58.2 | -143.6 | 115.2 | 0 | 0 | 111.8 | L1504 E1505 E1506 R1511 S1512 | L1504-E1508 HydrophobicContact CD1-CG 4.31Å; L1504-E1508 HydrophobicContact CG-CG 4.42Å; L1504-E1508 VanDerWaalsContact O-CG 3.23Å; L1504-E1508 WeakPolarHBondContact O-CG 3.14Å; L1504-E1508 PolarHBondContact O-N 2.89Å; E1505-E1508 PolarHBondContact O-N 3.35Å; E1506-E1508 VanDerWaalsContact C-N 3.26Å; E1506-E1508 PolarHBondContact O-N 3.28Å; E1508-R1511 VanDerWaalsContact CD-NH2 3.28Å; E1508-R1511 PolarHBondContact O-N 2.86Å; E1508-R1511 IonicContact OE1-CZ 3.87Å; E1508-R1511 IonicContact OE1-NH1 3.95Å; E1508-R1511 PolarHBondContact OE1-NH1 3Å; E1508-R1511 IonicContact OE1-NH2 3.79Å; E1508-R1511 PolarHBondContact OE1-NH2 3.44Å; E1508-S1512 WeakPolarHBondContact O-CB 3.49Å; E1508-S1512 PolarHBondContact O-N 3.41Å |
| 1509 | R | 84.6 | Confident | 83 | Confident | 155 Ų | 155 | 107.1 Ų | 107.1 | 59% | 0.585 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -50.3 | 169.6 | -81.9 | -169.4 | -178.7 | 95 | 7 | 111.3 | E1505 E1506 R1511 S1512 L1513 | E1505-R1509 WeakPolarHBondContact O-CB 3.37Å; E1505-R1509 WeakPolarHBondContact O-CG 3.28Å; E1505-R1509 PolarHBondContact O-N 3.49Å; E1506-R1509 PolarHBondContact O-N 2.97Å; R1509-R1511 VanDerWaalsContact C-N 3.34Å; R1509-R1511 PolarHBondContact O-N 2.69Å; R1509-S1512 CarbonylContact O-C 3.58Å; R1509-S1512 WeakPolarHBondContact O-CB 3.4Å; R1509-S1512 PolarHBondContact O-N 2.93Å; R1509-S1512 VanDerWaalsContact O-N 3.1Å; R1509-L1513 WeakPolarHBondContact O-CB 3.2Å; R1509-L1513 PolarHBondContact O-N 2.75Å |
| 1510 | Q | 83.5 | Confident | 82 | Confident | 101 Ų | 101 | 105 Ų | 105 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 178.5 | -70.7 | 177.2 | 13.3 | 0 | 0 | 111.4 | E1506 S1512 L1513 L1514 | E1506-Q1510 WeakPolarHBondContact O-CB 3.25Å; E1506-Q1510 VanDerWaalsContact O-CG 3.31Å; E1506-Q1510 WeakPolarHBondContact O-CG 3.23Å; E1506-Q1510 PolarHBondContact O-N 3.35Å; E1506-Q1510 WeakPolarHBondContact OE1-CG 3.36Å; E1506-Q1510 PolarHBondContact OE1-NE2 2.92Å; Q1510-S1512 VanDerWaalsContact C-N 3.32Å; Q1510-S1512 PolarHBondContact O-N 3.35Å; Q1510-L1513 PolarHBondContact O-N 3.47Å; Q1510-L1514 WeakPolarHBondContact O-CB 3.3Å; Q1510-L1514 VanDerWaalsContact O-CG 3.27Å; Q1510-L1514 WeakPolarHBondContact O-CG 3.27Å; Q1510-L1514 PolarHBondContact O-N 3.07Å |
| 1511 | R | 81.2 | Confident | 81 | Confident | 146 Ų | 146 | 105.5 Ų | 105.5 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.9 | -40.7 | 172.2 | -173.6 | -176.4 | 71.2 | -145.5 | -0.2 | 112 | S1507 E1508 R1509 A1515 | S1507-R1511 WeakPolarHBondContact O-CB 3.47Å; S1507-R1511 PolarHBondContact O-N 3.44Å; E1508-R1511 VanDerWaalsContact CD-NH2 3.28Å; E1508-R1511 PolarHBondContact O-N 2.86Å; E1508-R1511 IonicContact OE1-CZ 3.87Å; E1508-R1511 IonicContact OE1-NH1 3.95Å; E1508-R1511 PolarHBondContact OE1-NH1 3Å; E1508-R1511 IonicContact OE1-NH2 3.79Å; E1508-R1511 PolarHBondContact OE1-NH2 3.44Å; R1509-R1511 VanDerWaalsContact C-N 3.34Å; R1509-R1511 PolarHBondContact O-N 2.69Å; R1511-A1515 WeakPolarHBondContact O-CB 3.22Å; R1511-A1515 PolarHBondContact O-N 3.3Å |
| 1512 | S | 83.5 | Confident | 79.8 | Confident | 80 Ų | 80 | 101.1 Ų | 101.1 | 56% | 0.559 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.4 | -34.5 | 176.2 | -166.5 | 0 | 0 | 0 | 0 | 113 | E1508 R1509 Q1510 R1516 | E1508-S1512 WeakPolarHBondContact O-CB 3.49Å; E1508-S1512 PolarHBondContact O-N 3.41Å; R1509-S1512 CarbonylContact O-C 3.58Å; R1509-S1512 WeakPolarHBondContact O-CB 3.4Å; R1509-S1512 PolarHBondContact O-N 2.93Å; R1509-S1512 VanDerWaalsContact O-N 3.1Å; Q1510-S1512 VanDerWaalsContact C-N 3.32Å; Q1510-S1512 PolarHBondContact O-N 3.35Å; S1512-R1516 WeakPolarHBondContact O-CB 3.3Å; S1512-R1516 PolarHBondContact O-N 3.07Å |
| 1513 | L | 83.2 | Confident | 78.5 | Confident | 89 Ų | 89 | 98.2 Ų | 98.2 | 47% | 0.466 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.1 | -48.6 | 177.3 | -165.6 | 83.1 | 0 | 0 | 0 | 109.9 | R1509 Q1510 A1515 R1516 E1517 | R1509-L1513 WeakPolarHBondContact O-CB 3.2Å; R1509-L1513 PolarHBondContact O-N 2.75Å; Q1510-L1513 PolarHBondContact O-N 3.47Å; L1513-A1515 VanDerWaalsContact C-N 3.29Å; L1513-A1515 PolarHBondContact O-N 2.95Å; L1513-R1516 CarbonylContact O-C 3.44Å; L1513-R1516 WeakPolarHBondContact O-CA 3.19Å; L1513-R1516 WeakPolarHBondContact O-CB 3.35Å; L1513-R1516 PolarHBondContact O-N 3.43Å; L1513-R1516 VanDerWaalsContact O-N 3.09Å; L1513-E1517 WeakPolarHBondContact O-CB 3.26Å; L1513-E1517 WeakPolarHBondContact O-CG 3.5Å; L1513-E1517 PolarHBondContact O-N 2.91Å |
| 1514 | L | 80.1 | Confident | 76.9 | Confident | 98 Ų | 98 | 98.1 Ų | 98.1 | 51% | 0.513 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.5 | -36 | 175.2 | -71.5 | 167.2 | 0 | 0 | 0 | 112.1 | Q1510 L1518 | Q1510-L1514 WeakPolarHBondContact O-CB 3.3Å; Q1510-L1514 VanDerWaalsContact O-CG 3.27Å; Q1510-L1514 WeakPolarHBondContact O-CG 3.27Å; Q1510-L1514 PolarHBondContact O-N 3.07Å; L1514-L1518 WeakPolarHBondContact O-CB 3.38Å; L1514-L1518 WeakPolarHBondContact O-CD1 3.44Å; L1514-L1518 WeakPolarHBondContact O-CG 3.17Å; L1514-L1518 PolarHBondContact O-N 2.75Å |
| 1515 | A | 81.8 | Confident | 75.5 | Confident | 55 Ų | 55 | 95.4 Ų | 95.4 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -44.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1511 L1513 L1518 E1519 | R1511-A1515 WeakPolarHBondContact O-CB 3.22Å; R1511-A1515 PolarHBondContact O-N 3.3Å; L1513-A1515 VanDerWaalsContact C-N 3.29Å; L1513-A1515 PolarHBondContact O-N 2.95Å; A1515-L1518 PolarHBondContact O-N 3.35Å; A1515-E1519 WeakPolarHBondContact O-CB 3.3Å; A1515-E1519 PolarHBondContact O-N 2.85Å |
| 1516 | R | 80.3 | Confident | 73.9 | Confident | 116 Ų | 116 | 98 Ų | 98 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 176.8 | -160.6 | -170 | 76.4 | 76.9 | 23.1 | 112.2 | S1512 L1513 E1519 E1520 | S1512-R1516 WeakPolarHBondContact O-CB 3.3Å; S1512-R1516 PolarHBondContact O-N 3.07Å; L1513-R1516 CarbonylContact O-C 3.44Å; L1513-R1516 WeakPolarHBondContact O-CA 3.19Å; L1513-R1516 WeakPolarHBondContact O-CB 3.35Å; L1513-R1516 PolarHBondContact O-N 3.43Å; L1513-R1516 VanDerWaalsContact O-N 3.09Å; R1516-E1519 PolarHBondContact O-N 3.47Å; R1516-E1520 IonicContact CZ-OE1 2.65Å; R1516-E1520 IonicContact CZ-OE2 3.2Å; R1516-E1520 IonicContact NH1-OE1 2.75Å; R1516-E1520 PolarHBondContact NH1-OE1 3.22Å; R1516-E1520 IonicContact NH1-OE2 2.72Å; R1516-E1520 PolarHBondContact NH1-OE2 3.47Å; R1516-E1520 VanDerWaalsContact NH2-CD 3.34Å; R1516-E1520 IonicContact NH2-OE1 3.2Å; R1516-E1520 PolarHBondContact NH2-OE1 3.05Å; R1516-E1520 IonicContact NH2-OE2 2.76Å; R1516-E1520 PolarHBondContact NH2-OE2 2.76Å; R1516-E1520 WeakPolarHBondContact O-CB 3.45Å; R1516-E1520 WeakPolarHBondContact O-CG 3.25Å; R1516-E1520 PolarHBondContact O-N 3.48Å |
| 1517 | E | 74.9 | Confident | 72.2 | Confident | 80 Ų | 80 | 99 Ų | 99 | 37% | 0.374 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.1 | -37.1 | 174.2 | -75.4 | 179.2 | 170.9 | 0 | 0 | 111.7 | L1513 L1521 | L1513-E1517 WeakPolarHBondContact O-CB 3.26Å; L1513-E1517 WeakPolarHBondContact O-CG 3.5Å; L1513-E1517 PolarHBondContact O-N 2.91Å; E1517-L1521 WeakPolarHBondContact O-CB 3.48Å; E1517-L1521 WeakPolarHBondContact O-CD1 3.48Å; E1517-L1521 WeakPolarHBondContact O-CG 3.47Å; E1517-L1521 PolarHBondContact O-N 3Å |
| 1518 | L | 73.5 | Confident | 70.7 | Confident | 125 Ų | 125 | 100.1 Ų | 100.1 | 65% | 0.654 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68 | -34.3 | 172.7 | -75.7 | 167.1 | 0 | 0 | 0 | 112.2 | L1514 A1515 G1522 | L1514-L1518 WeakPolarHBondContact O-CB 3.38Å; L1514-L1518 WeakPolarHBondContact O-CD1 3.44Å; L1514-L1518 WeakPolarHBondContact O-CG 3.17Å; L1514-L1518 PolarHBondContact O-N 2.75Å; A1515-L1518 PolarHBondContact O-N 3.35Å; L1518-G1522 PolarHBondContact O-N 2.71Å |
| 1519 | E | 74.3 | Confident | 68.7 | Low | 148 Ų | 148 | 98.5 Ų | 98.5 | 69% | 0.692 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.7 | -39.2 | 174.7 | -168.6 | 167.7 | -137.6 | 0 | 0 | 111.9 | A1515 R1516 G1522 S1523 | A1515-E1519 WeakPolarHBondContact O-CB 3.3Å; A1515-E1519 PolarHBondContact O-N 2.85Å; R1516-E1519 PolarHBondContact O-N 3.47Å; E1519-G1522 PolarHBondContact O-N 3.15Å; E1519-S1523 PolarHBondContact O-N 3.16Å; E1519-S1523 PolarHBondContact O-OG 3.09Å |
| 1520 | E | 66.7 | Low | 66.7 | Low | 79 Ų | 79 | 100.6 Ų | 100.6 | 37% | 0.369 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.2 | -44.5 | 170.4 | -76.4 | -177.6 | 153.2 | 0 | 0 | 111.8 | R1516 G1522 S1523 H1524 | R1516-E1520 IonicContact CZ-OE1 2.65Å; R1516-E1520 IonicContact CZ-OE2 3.2Å; R1516-E1520 IonicContact NH1-OE1 2.75Å; R1516-E1520 PolarHBondContact NH1-OE1 3.22Å; R1516-E1520 IonicContact NH1-OE2 2.72Å; R1516-E1520 PolarHBondContact NH1-OE2 3.47Å; R1516-E1520 VanDerWaalsContact NH2-CD 3.34Å; R1516-E1520 IonicContact NH2-OE1 3.2Å; R1516-E1520 PolarHBondContact NH2-OE1 3.05Å; R1516-E1520 IonicContact NH2-OE2 2.76Å; R1516-E1520 PolarHBondContact NH2-OE2 2.76Å; R1516-E1520 WeakPolarHBondContact O-CB 3.45Å; R1516-E1520 WeakPolarHBondContact O-CG 3.25Å; R1516-E1520 PolarHBondContact O-N 3.48Å; E1520-G1522 VanDerWaalsContact C-N 3.32Å; E1520-G1522 PolarHBondContact O-N 3.11Å; E1520-S1523 WeakPolarHBondContact CA-OG 3.47Å; E1520-S1523 PolarHBondContact O-N 3.21Å; E1520-S1523 PolarHBondContact O-OG 3.33Å; E1520-H1524 WeakPolarHBondContact O-CB 3.12Å; E1520-H1524 PolarHBondContact O-N 3.03Å; E1520-H1524 PolarHBondContact O-ND1 3.39Å |
| 1521 | L | 65 | Low | 65 | Low | 121 Ų | 121 | 100.3 Ų | 100.3 | 63% | 0.634 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.3 | -35.5 | 175.2 | -75 | 166.8 | 0 | 0 | 0 | 112.1 | E1517 H1524 G1525 | E1517-L1521 WeakPolarHBondContact O-CB 3.48Å; E1517-L1521 WeakPolarHBondContact O-CD1 3.48Å; E1517-L1521 WeakPolarHBondContact O-CG 3.47Å; E1517-L1521 PolarHBondContact O-N 3Å; L1521-H1524 PolarHBondContact O-N 3.3Å; L1521-G1525 PolarHBondContact O-N 2.9Å; L1521-G1525 VanDerWaalsContact O-N 3.1Å |
| 1522 | G | 64 | Low | 63.5 | Low | 39 Ų | 39 | 99.9 Ų | 99.9 | 40% | 0.402 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.9 | -51 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1518 E1519 E1520 H1524 G1525 D1526 | L1518-G1522 PolarHBondContact O-N 2.71Å; E1519-G1522 PolarHBondContact O-N 3.15Å; E1520-G1522 VanDerWaalsContact C-N 3.32Å; E1520-G1522 PolarHBondContact O-N 3.11Å; G1522-H1524 VanDerWaalsContact C-N 3.27Å; G1522-H1524 PolarHBondContact O-N 3.47Å; G1522-G1525 WeakPolarHBondContact O-CA 3.49Å; G1522-G1525 PolarHBondContact O-N 3.36Å; G1522-D1526 PolarHBondContact O-N 2.99Å |
| 1523 | S | 60.1 | Low | 62.1 | Low | 74 Ų | 74 | 99.8 Ų | 99.8 | 52% | 0.517 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.1 | -27.1 | 176.9 | 52.1 | 0 | 0 | 0 | 0 | 113.7 | E1519 E1520 G1525 | E1519-S1523 PolarHBondContact O-N 3.16Å; E1519-S1523 PolarHBondContact O-OG 3.09Å; E1520-S1523 WeakPolarHBondContact CA-OG 3.47Å; E1520-S1523 PolarHBondContact O-N 3.21Å; E1520-S1523 PolarHBondContact O-OG 3.33Å; S1523-G1525 VanDerWaalsContact C-N 3.33Å |
| 1524 | H | 54.8 | Low | 60.8 | Low | 111 Ų | 111 | 96.9 Ų | 96.9 | 51% | 0.514 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -78.7 | -11.5 | 169.4 | -74.7 | 83.1 | 0 | 0 | 0 | 114.2 | E1520 L1521 G1522 R1545 | E1520-H1524 WeakPolarHBondContact O-CB 3.12Å; E1520-H1524 PolarHBondContact O-N 3.03Å; E1520-H1524 PolarHBondContact O-ND1 3.39Å; L1521-H1524 PolarHBondContact O-N 3.3Å; G1522-H1524 VanDerWaalsContact C-N 3.27Å; G1522-H1524 PolarHBondContact O-N 3.47Å; H1524-R1545 PolarHBondContact CD2-NH2 2.59Å; H1524-R1545 VanDerWaalsContact CD2-NH2 3.26Å; H1524-R1545 PolarHBondContact NE2-NH2 2.81Å |
| 1525 | G | 54.2 | Low | 59.7 | Low | 46 Ų | 46 | 97.8 Ų | 97.8 | 47% | 0.474 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -84.9 | -42.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1521 G1522 S1523 D1527 A1528 | L1521-G1525 PolarHBondContact O-N 2.9Å; L1521-G1525 VanDerWaalsContact O-N 3.1Å; G1522-G1525 WeakPolarHBondContact O-CA 3.49Å; G1522-G1525 PolarHBondContact O-N 3.36Å; S1523-G1525 VanDerWaalsContact C-N 3.33Å; G1525-D1527 PolarHBondContact O-N 3.27Å; G1525-A1528 WeakPolarHBondContact O-CB 3.27Å |
| 1526 | D | 54.5 | Low | 58.6 | Low | 160 Ų | 160 | 101.7 Ų | 101.7 | 86% | 0.856 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -73.3 | -22.7 | -171.7 | -83.7 | -25.9 | 0 | 0 | 0 | 114.4 | G1522 A1528 | G1522-D1526 PolarHBondContact O-N 2.99Å; D1526-A1528 PolarHBondContact O-N 3.4Å |
| 1527 | D | 49.4 | Very low | 57.8 | Low | 105 Ų | 105 | 101.7 Ų | 101.7 | 56% | 0.561 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 3.3 | -177.8 | -112 | -5.7 | 0 | 0 | 0 | 114 | G1525 G1529 R1541 | G1525-D1527 PolarHBondContact O-N 3.27Å; D1527-G1529 VanDerWaalsContact C-N 3.3Å; D1527-G1529 PolarHBondContact O-N 2.87Å; D1527-G1529 VanDerWaalsContact O-N 3.14Å; D1527-R1541 IonicContact OD2-CZ 3.73Å; D1527-R1541 IonicContact OD2-NH1 3.27Å; D1527-R1541 PolarHBondContact OD2-NH1 2.81Å; D1527-R1541 IonicContact OD2-NH2 2.65Å; D1527-R1541 PolarHBondContact OD2-NH2 2.8Å |
| 1528 | A | 48.9 | Very low | 57.2 | Low | 92 Ų | 92 | 100.2 Ų | 100.2 | 76% | 0.76 | 58% | 0.578 | S | S | * | * | trans | -80.9 | 18.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | G1525 D1526 | G1525-A1528 WeakPolarHBondContact O-CB 3.27Å; D1526-A1528 PolarHBondContact O-N 3.4Å | ||
| 1529 | G | 43.8 | Very low | 57 | Low | 49 Ų | 49 | 98.6 Ų | 98.6 | 51% | 0.505 | 57% | 0.57 | S | S | . | * | trans | -170.8 | 100.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | D1527 | D1527-G1529 VanDerWaalsContact C-N 3.3Å; D1527-G1529 PolarHBondContact O-N 2.87Å; D1527-G1529 VanDerWaalsContact O-N 3.14Å | ||
| 1530 | K | 43.5 | Very low | 56.9 | Low | 198 Ų | 198 | 99 Ų | 99 | 86% | 0.861 | 57% | 0.567 | S | S | * | * | trans | 178.8 | 149.6 | 130.1 | -90.8 | 140.5 | -153.1 | 159.4 | 0 | 112.2 | ||||
| 1531 | S | 47.3 | Very low | 57 | Low | 96 Ų | 96 | 101.2 Ų | 101.2 | 67% | 0.671 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 68 | 157.7 | 166.1 | -161.2 | 0 | 0 | 0 | 0 | 117.8 | V1533 G1534 | S1531-V1533 PolarHBondContact O-N 2.84Å; S1531-G1534 PolarHBondContact O-N 3.34Å; S1531-G1534 VanDerWaalsContact O-N 3.09Å |
| 1532 | L | 49 | Very low | 57.3 | Low | 137 Ų | 137 | 100.9 Ų | 100.9 | 72% | 0.717 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -59.7 | -34.7 | 176 | -168.3 | 74.6 | 0 | 0 | 0 | 112 | G1534 L1535 E1536 | L1532-G1534 PolarHBondContact O-N 3.33Å; L1532-L1535 WeakPolarHBondContact O-CA 3.33Å; L1532-L1535 WeakPolarHBondContact O-CB 2.99Å; L1532-L1535 PolarHBondContact O-N 3.14Å; L1532-E1536 PolarHBondContact O-N 3.28Å |
| 1533 | V | 54.7 | Low | 57.9 | Low | 78 Ų | 78 | 103.2 Ų | 103.2 | 47% | 0.473 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.9 | -31.7 | 176 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | S1531 L1535 E1536 Q1537 | S1531-V1533 PolarHBondContact O-N 2.84Å; V1533-L1535 PolarHBondContact O-N 3.01Å; V1533-E1536 PolarHBondContact O-N 3.34Å; V1533-Q1537 WeakPolarHBondContact O-CG 3.39Å; V1533-Q1537 PolarHBondContact O-N 3.08Å |
| 1534 | G | 56.8 | Low | 58.8 | Low | 27 Ų | 27 | 104.1 Ų | 104.1 | 28% | 0.278 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.7 | -25.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1531 L1532 A1538 | S1531-G1534 PolarHBondContact O-N 3.34Å; S1531-G1534 VanDerWaalsContact O-N 3.09Å; L1532-G1534 PolarHBondContact O-N 3.33Å; G1534-A1538 WeakPolarHBondContact O-CB 3.39Å; G1534-A1538 PolarHBondContact O-N 2.99Å |
| 1535 | L | 55.6 | Low | 59.8 | Low | 117 Ų | 117 | 105.2 Ų | 105.2 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -75.4 | -37.5 | 174 | -127.9 | 170.5 | 0 | 0 | 0 | 111.3 | L1532 V1533 N1539 | L1532-L1535 WeakPolarHBondContact O-CA 3.33Å; L1532-L1535 WeakPolarHBondContact O-CB 2.99Å; L1532-L1535 PolarHBondContact O-N 3.14Å; V1533-L1535 PolarHBondContact O-N 3.01Å; L1535-N1539 WeakPolarHBondContact O-CB 3.36Å; L1535-N1539 PolarHBondContact O-N 3.08Å |
| 1536 | E | 60.1 | Low | 61 | Low | 137 Ų | 137 | 107 Ų | 107 | 64% | 0.64 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.1 | -41 | 171.4 | -66.4 | -178.7 | 136.9 | 0 | 0 | 111.8 | L1532 V1533 N1539 Y1540 | L1532-E1536 PolarHBondContact O-N 3.28Å; V1533-E1536 PolarHBondContact O-N 3.34Å; E1536-N1539 PolarHBondContact O-N 2.92Å; E1536-Y1540 WeakPolarHBondContact O-CB 3.39Å; E1536-Y1540 PolarHBondContact O-N 3.25Å |
| 1537 | Q | 63.5 | Low | 62.3 | Low | 116 Ų | 116 | 106 Ų | 106 | 54% | 0.542 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.2 | -41.2 | 175.1 | -72.2 | 178.6 | -22.4 | 0 | 0 | 112.6 | V1533 N1539 Y1540 R1541 | V1533-Q1537 WeakPolarHBondContact O-CG 3.39Å; V1533-Q1537 PolarHBondContact O-N 3.08Å; Q1537-N1539 VanDerWaalsContact C-N 3.34Å; Q1537-Y1540 PolarHBondContact O-N 2.81Å; Q1537-R1541 WeakPolarHBondContact O-CG 3.46Å; Q1537-R1541 PolarHBondContact O-N 3.41Å |
| 1538 | A | 61.6 | Low | 63.9 | Low | 50 Ų | 50 | 106.6 Ų | 106.6 | 41% | 0.413 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.8 | -40.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G1534 R1541 L1542 | G1534-A1538 WeakPolarHBondContact O-CB 3.39Å; G1534-A1538 PolarHBondContact O-N 2.99Å; A1538-R1541 PolarHBondContact O-N 2.85Å; A1538-L1542 WeakPolarHBondContact O-CB 3.2Å; A1538-L1542 PolarHBondContact O-N 3.28Å |
| 1539 | N | 68.4 | Low | 65.4 | Low | 90 Ų | 90 | 105.5 Ų | 105.5 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 175.2 | -162.4 | 3.4 | 0 | 0 | 0 | 111.3 | L1535 E1536 Q1537 L1542 N1543 | L1535-N1539 WeakPolarHBondContact O-CB 3.36Å; L1535-N1539 PolarHBondContact O-N 3.08Å; E1536-N1539 PolarHBondContact O-N 2.92Å; Q1537-N1539 VanDerWaalsContact C-N 3.34Å; N1539-L1542 PolarHBondContact O-N 3.48Å; N1539-N1543 PolarHBondContact O-N 2.69Å; N1539-N1543 PolarHBondContact O-ND2 2.87Å; N1539-N1543 PolarHBondContact OD1-ND2 3.46Å |
| 1540 | Y | 72.5 | Confident | 67.4 | Low | 158 Ų | 158 | 108.4 Ų | 108.4 | 62% | 0.62 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.3 | -51.5 | 171.5 | -172.2 | -81.3 | 0 | 0 | 0 | 111 | E1536 Q1537 L1542 N1543 E1544 | E1536-Y1540 WeakPolarHBondContact O-CB 3.39Å; E1536-Y1540 PolarHBondContact O-N 3.25Å; Q1537-Y1540 PolarHBondContact O-N 2.81Å; Y1540-L1542 VanDerWaalsContact C-N 3.27Å; Y1540-L1542 PolarHBondContact O-N 3.39Å; Y1540-N1543 CarbonylContact O-C 3.49Å; Y1540-N1543 PolarHBondContact O-N 2.82Å; Y1540-N1543 VanDerWaalsContact O-N 3.1Å; Y1540-E1544 WeakPolarHBondContact O-CB 3.12Å; Y1540-E1544 PolarHBondContact O-N 3.04Å |
| 1541 | R | 69.5 | Low | 69.5 | Low | 124 Ų | 124 | 103.7 Ų | 103.7 | 47% | 0.468 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -30.8 | 175.6 | -69 | 178.7 | -176 | 175.4 | 2.5 | 113.2 | D1527 Q1537 A1538 R1545 | D1527-R1541 IonicContact OD2-CZ 3.73Å; D1527-R1541 IonicContact OD2-NH1 3.27Å; D1527-R1541 PolarHBondContact OD2-NH1 2.81Å; D1527-R1541 IonicContact OD2-NH2 2.65Å; D1527-R1541 PolarHBondContact OD2-NH2 2.8Å; Q1537-R1541 WeakPolarHBondContact O-CG 3.46Å; Q1537-R1541 PolarHBondContact O-N 3.41Å; A1538-R1541 PolarHBondContact O-N 2.85Å; R1541-R1545 WeakPolarHBondContact O-CB 3.24Å; R1541-R1545 WeakPolarHBondContact O-CG 3.47Å; R1541-R1545 PolarHBondContact O-N 3.38Å |
| 1542 | L | 70.8 | Confident | 71.4 | Confident | 114 Ų | 114 | 104.5 Ų | 104.5 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.6 | -39.6 | 172.7 | -111 | 161.6 | 0 | 0 | 0 | 111.8 | A1538 N1539 Y1540 E1544 L1546 | A1538-L1542 WeakPolarHBondContact O-CB 3.2Å; A1538-L1542 PolarHBondContact O-N 3.28Å; N1539-L1542 PolarHBondContact O-N 3.48Å; Y1540-L1542 VanDerWaalsContact C-N 3.27Å; Y1540-L1542 PolarHBondContact O-N 3.39Å; L1542-E1544 VanDerWaalsContact C-N 3.34Å; L1542-L1546 WeakPolarHBondContact O-CB 3.5Å; L1542-L1546 PolarHBondContact O-N 3.4Å |
| 1543 | N | 76.9 | Confident | 73.1 | Confident | 88 Ų | 88 | 102.4 Ų | 102.4 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.4 | -31.6 | 172.7 | -76.8 | -77 | 0 | 0 | 0 | 111.9 | N1539 Y1540 K1547 | N1539-N1543 PolarHBondContact O-N 2.69Å; N1539-N1543 PolarHBondContact O-ND2 2.87Å; N1539-N1543 PolarHBondContact OD1-ND2 3.46Å; Y1540-N1543 CarbonylContact O-C 3.49Å; Y1540-N1543 PolarHBondContact O-N 2.82Å; Y1540-N1543 VanDerWaalsContact O-N 3.1Å; N1543-K1547 WeakPolarHBondContact O-CB 3.29Å; N1543-K1547 PolarHBondContact O-N 3.11Å |
| 1544 | E | 79.6 | Confident | 74.6 | Confident | 93 Ų | 93 | 105 Ų | 105 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -52.7 | 173.1 | -165.5 | 158.8 | -131.4 | 0 | 0 | 110.2 | Y1540 L1542 L1546 K1547 E1548 | Y1540-E1544 WeakPolarHBondContact O-CB 3.12Å; Y1540-E1544 PolarHBondContact O-N 3.04Å; L1542-E1544 VanDerWaalsContact C-N 3.34Å; E1544-L1546 PolarHBondContact O-N 3.28Å; E1544-K1547 CarbonylContact O-C 3.59Å; E1544-K1547 WeakPolarHBondContact O-CA 3.43Å; E1544-K1547 WeakPolarHBondContact O-CB 3.46Å; E1544-K1547 PolarHBondContact O-N 2.69Å; E1544-K1547 VanDerWaalsContact O-N 3.1Å; E1544-E1548 WeakPolarHBondContact O-CG 3.34Å; E1544-E1548 PolarHBondContact O-N 2.67Å |
| 1545 | R | 76.2 | Confident | 76.1 | Confident | 135 Ų | 135 | 108.5 Ų | 108.5 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -35.3 | 172.2 | -74.9 | 177.7 | 168.1 | -157.3 | -3.2 | 114.2 | H1524 R1541 K1547 E1548 T1549 | H1524-R1545 PolarHBondContact CD2-NH2 2.59Å; H1524-R1545 VanDerWaalsContact CD2-NH2 3.26Å; H1524-R1545 PolarHBondContact NE2-NH2 2.81Å; R1541-R1545 WeakPolarHBondContact O-CB 3.24Å; R1541-R1545 WeakPolarHBondContact O-CG 3.47Å; R1541-R1545 PolarHBondContact O-N 3.38Å; R1545-K1547 VanDerWaalsContact C-N 3.3Å; R1545-E1548 WeakPolarHBondContact CA-OE2 3.3Å; R1545-E1548 PolarHBondContact O-N 3.08Å; R1545-T1549 WeakPolarHBondContact O-CB 3.37Å; R1545-T1549 WeakPolarHBondContact O-CG2 3.42Å; R1545-T1549 PolarHBondContact O-N 3.29Å; R1545-T1549 PolarHBondContact O-OG1 3.24Å |
| 1546 | L | 78.9 | Confident | 77.6 | Confident | 82 Ų | 82 | 107 Ų | 107 | 43% | 0.429 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.5 | -38.1 | 173.6 | -173.3 | 111.7 | 0 | 0 | 0 | 110.2 | L1542 E1544 T1549 Q1550 | L1542-L1546 WeakPolarHBondContact O-CB 3.5Å; L1542-L1546 PolarHBondContact O-N 3.4Å; E1544-L1546 PolarHBondContact O-N 3.28Å; L1546-T1549 WeakPolarHBondContact CA-OG1 3.35Å; L1546-T1549 PolarHBondContact O-OG1 2.64Å; L1546-Q1550 WeakPolarHBondContact O-CB 3.1Å; L1546-Q1550 WeakPolarHBondContact O-CG 2.98Å; L1546-Q1550 PolarHBondContact O-N 3.48Å |
| 1547 | K | 82.3 | Confident | 79 | Confident | 141 Ų | 141 | 106.7 Ų | 106.7 | 61% | 0.613 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71 | -40.6 | 175.2 | -171.3 | -171.3 | 175.4 | -161.6 | 0 | 112 | N1543 E1544 R1545 Q1550 Q1551 | N1543-K1547 WeakPolarHBondContact O-CB 3.29Å; N1543-K1547 PolarHBondContact O-N 3.11Å; E1544-K1547 CarbonylContact O-C 3.59Å; E1544-K1547 WeakPolarHBondContact O-CA 3.43Å; E1544-K1547 WeakPolarHBondContact O-CB 3.46Å; E1544-K1547 PolarHBondContact O-N 2.69Å; E1544-K1547 VanDerWaalsContact O-N 3.1Å; R1545-K1547 VanDerWaalsContact C-N 3.3Å; K1547-Q1550 PolarHBondContact O-N 2.71Å; K1547-Q1551 VanDerWaalsContact O-CB 3.27Å; K1547-Q1551 WeakPolarHBondContact O-CB 3.38Å; K1547-Q1551 PolarHBondContact O-N 2.9Å |
| 1548 | E | 81.7 | Confident | 80.2 | Confident | 117 Ų | 117 | 106.1 Ų | 106.1 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 172.5 | -71 | 171.6 | 151.2 | 0 | 0 | 111.1 | E1544 R1545 Q1551 Q1552 | E1544-E1548 WeakPolarHBondContact O-CG 3.34Å; E1544-E1548 PolarHBondContact O-N 2.67Å; R1545-E1548 WeakPolarHBondContact CA-OE2 3.3Å; R1545-E1548 PolarHBondContact O-N 3.08Å; E1548-Q1551 PolarHBondContact O-N 2.99Å; E1548-Q1552 WeakPolarHBondContact O-CB 3.27Å; E1548-Q1552 PolarHBondContact O-N 3.02Å |
| 1549 | T | 81.2 | Confident | 81.5 | Confident | 69 Ų | 69 | 109.9 Ų | 109.9 | 42% | 0.423 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -74 | -30.6 | 177.9 | 49.7 | 0 | 0 | 0 | 0 | 113.3 | R1545 L1546 I1553 | R1545-T1549 WeakPolarHBondContact O-CB 3.37Å; R1545-T1549 WeakPolarHBondContact O-CG2 3.42Å; R1545-T1549 PolarHBondContact O-N 3.29Å; R1545-T1549 PolarHBondContact O-OG1 3.24Å; L1546-T1549 WeakPolarHBondContact CA-OG1 3.35Å; L1546-T1549 PolarHBondContact O-OG1 2.64Å; T1549-I1553 WeakPolarHBondContact O-CB 3.19Å; T1549-I1553 WeakPolarHBondContact O-CD1 2.99Å; T1549-I1553 WeakPolarHBondContact O-CG1 2.93Å; T1549-I1553 PolarHBondContact O-N 3.39Å |
| 1550 | Q | 85.1 | Confident | 82.5 | Confident | 110 Ų | 110 | 110.8 Ų | 110.8 | 51% | 0.514 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 168.7 | -81 | 173.2 | -24.8 | 0 | 0 | 111.2 | L1546 K1547 Q1552 I1553 E1554 | L1546-Q1550 WeakPolarHBondContact O-CB 3.1Å; L1546-Q1550 WeakPolarHBondContact O-CG 2.98Å; L1546-Q1550 PolarHBondContact O-N 3.48Å; K1547-Q1550 PolarHBondContact O-N 2.71Å; Q1550-Q1552 VanDerWaalsContact C-N 3.34Å; Q1550-Q1552 PolarHBondContact O-N 2.81Å; Q1550-I1553 PolarHBondContact O-N 2.82Å; Q1550-E1554 WeakPolarHBondContact O-CB 3.4Å; Q1550-E1554 PolarHBondContact O-N 3.38Å |
| 1551 | Q | 87.6 | Confident | 83.3 | Confident | 98 Ų | 98 | 105.5 Ų | 105.5 | 46% | 0.458 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -42.4 | 175 | -177.1 | -177.7 | -32 | 0 | 0 | 110.7 | K1547 E1548 I1553 E1554 E1555 | K1547-Q1551 VanDerWaalsContact O-CB 3.27Å; K1547-Q1551 WeakPolarHBondContact O-CB 3.38Å; K1547-Q1551 PolarHBondContact O-N 2.9Å; E1548-Q1551 PolarHBondContact O-N 2.99Å; Q1551-I1553 VanDerWaalsContact C-N 3.32Å; Q1551-I1553 PolarHBondContact O-N 3.49Å; Q1551-E1554 PolarHBondContact O-N 3.31Å; Q1551-E1555 HydrophobicContact CG-CG 4.39Å; Q1551-E1555 WeakPolarHBondContact CG-OE1 3.27Å; Q1551-E1555 PolarHBondContact NE2-OE1 2.85Å; Q1551-E1555 WeakPolarHBondContact O-CB 3.49Å; Q1551-E1555 VanDerWaalsContact O-CG 3.27Å; Q1551-E1555 WeakPolarHBondContact O-CG 3.46Å; Q1551-E1555 PolarHBondContact O-N 3.1Å |
| 1552 | Q | 87.8 | Confident | 84.2 | Confident | 114 Ų | 114 | 103.4 Ų | 103.4 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -33.9 | 175.6 | -169.2 | 177.6 | 29 | 0 | 0 | 112.6 | E1548 Q1550 L1556 | E1548-Q1552 WeakPolarHBondContact O-CB 3.27Å; E1548-Q1552 PolarHBondContact O-N 3.02Å; Q1550-Q1552 VanDerWaalsContact C-N 3.34Å; Q1550-Q1552 PolarHBondContact O-N 2.81Å; Q1552-L1556 HydrophobicContact CG-CD1 4.29Å; Q1552-L1556 WeakPolarHBondContact O-CB 3.24Å; Q1552-L1556 WeakPolarHBondContact O-CD1 3.33Å; Q1552-L1556 WeakPolarHBondContact O-CG 3.28Å; Q1552-L1556 PolarHBondContact O-N 3.13Å |
| 1553 | I | 84.2 | Confident | 85.2 | Confident | 93 Ų | 93 | 104.5 Ų | 104.5 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 172.7 | -72 | 164.9 | 0 | 0 | 0 | 110.7 | T1549 Q1550 Q1551 L1556 E1557 | T1549-I1553 WeakPolarHBondContact O-CB 3.19Å; T1549-I1553 WeakPolarHBondContact O-CD1 2.99Å; T1549-I1553 WeakPolarHBondContact O-CG1 2.93Å; T1549-I1553 PolarHBondContact O-N 3.39Å; Q1550-I1553 PolarHBondContact O-N 2.82Å; Q1551-I1553 VanDerWaalsContact C-N 3.32Å; Q1551-I1553 PolarHBondContact O-N 3.49Å; I1553-L1556 PolarHBondContact O-N 3.02Å; I1553-E1557 HydrophobicContact CG2-CG 4.31Å; I1553-E1557 WeakPolarHBondContact O-CB 3.47Å; I1553-E1557 WeakPolarHBondContact O-CG 3.32Å; I1553-E1557 PolarHBondContact O-N 3.26Å |
| 1554 | E | 86 | Confident | 85.9 | Confident | 133 Ų | 133 | 103.1 Ų | 103.1 | 62% | 0.621 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -44.6 | 176.9 | -169.4 | 168.3 | -158.4 | 0 | 0 | 110.9 | Q1550 Q1551 L1556 E1557 D1558 | Q1550-E1554 WeakPolarHBondContact O-CB 3.4Å; Q1550-E1554 PolarHBondContact O-N 3.38Å; Q1551-E1554 PolarHBondContact O-N 3.31Å; E1554-L1556 PolarHBondContact O-N 2.96Å; E1554-E1557 PolarHBondContact O-N 3.49Å; E1554-D1558 WeakPolarHBondContact O-CB 3.29Å; E1554-D1558 PolarHBondContact O-N 3.49Å |
| 1555 | E | 88.4 | Confident | 86.4 | Confident | 100 Ų | 100 | 104.7 Ų | 104.7 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 172.3 | -73.8 | 169.5 | -175.9 | 0 | 0 | 112 | Q1551 D1558 E1559 | Q1551-E1555 HydrophobicContact CG-CG 4.39Å; Q1551-E1555 WeakPolarHBondContact CG-OE1 3.27Å; Q1551-E1555 PolarHBondContact NE2-OE1 2.85Å; Q1551-E1555 WeakPolarHBondContact O-CB 3.49Å; Q1551-E1555 VanDerWaalsContact O-CG 3.27Å; Q1551-E1555 WeakPolarHBondContact O-CG 3.46Å; Q1551-E1555 PolarHBondContact O-N 3.1Å; E1555-D1558 PolarHBondContact O-N 2.98Å; E1555-E1559 WeakPolarHBondContact O-CG 3.25Å; E1555-E1559 PolarHBondContact O-N 3.47Å |
| 1556 | L | 88.3 | Confident | 87.1 | Confident | 84 Ų | 84 | 104.6 Ų | 104.6 | 44% | 0.44 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.4 | -34.1 | 176.3 | -74.9 | 168.6 | 0 | 0 | 0 | 113.1 | Q1552 I1553 E1554 I1560 | Q1552-L1556 HydrophobicContact CG-CD1 4.29Å; Q1552-L1556 WeakPolarHBondContact O-CB 3.24Å; Q1552-L1556 WeakPolarHBondContact O-CD1 3.33Å; Q1552-L1556 WeakPolarHBondContact O-CG 3.28Å; Q1552-L1556 PolarHBondContact O-N 3.13Å; I1553-L1556 PolarHBondContact O-N 3.02Å; E1554-L1556 PolarHBondContact O-N 2.96Å; L1556-I1560 WeakPolarHBondContact O-CB 3.39Å; L1556-I1560 WeakPolarHBondContact O-CD1 3.47Å; L1556-I1560 WeakPolarHBondContact O-CG1 3.12Å; L1556-I1560 PolarHBondContact O-N 3.44Å |
| 1557 | E | 87.8 | Confident | 87.7 | Confident | 132 Ų | 132 | 105.9 Ų | 105.9 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.5 | -36.3 | 174 | -76.3 | -172.4 | 171.2 | 0 | 0 | 110.9 | I1553 E1554 I1560 S1561 | I1553-E1557 HydrophobicContact CG2-CG 4.31Å; I1553-E1557 WeakPolarHBondContact O-CB 3.47Å; I1553-E1557 WeakPolarHBondContact O-CG 3.32Å; I1553-E1557 PolarHBondContact O-N 3.26Å; E1554-E1557 PolarHBondContact O-N 3.49Å; E1557-I1560 PolarHBondContact O-N 3.38Å; E1557-S1561 WeakPolarHBondContact O-CB 3.33Å; E1557-S1561 PolarHBondContact O-N 2.92Å |
| 1558 | D | 88.9 | Confident | 88.1 | Confident | 103 Ų | 103 | 105 Ų | 105 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.5 | -38.8 | 171.4 | -95 | -10.7 | 0 | 0 | 0 | 112.9 | E1554 E1555 S1561 T1562 | E1554-D1558 WeakPolarHBondContact O-CB 3.29Å; E1554-D1558 PolarHBondContact O-N 3.49Å; E1555-D1558 PolarHBondContact O-N 2.98Å; D1558-S1561 PolarHBondContact O-N 3.5Å; D1558-T1562 WeakPolarHBondContact O-CB 3.48Å; D1558-T1562 WeakPolarHBondContact O-CG2 3.32Å; D1558-T1562 PolarHBondContact O-N 3.29Å; D1558-T1562 PolarHBondContact O-OG1 3.17Å |
| 1559 | E | 89 | Confident | 88.6 | Confident | 130 Ų | 130 | 107.8 Ų | 107.8 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.6 | -41.9 | 170.7 | -79.6 | -168.7 | 170 | 0 | 0 | 111.7 | E1555 T1562 F1563 | E1555-E1559 WeakPolarHBondContact O-CG 3.25Å; E1555-E1559 PolarHBondContact O-N 3.47Å; E1559-T1562 WeakPolarHBondContact CA-OG1 3.39Å; E1559-T1562 PolarHBondContact O-OG1 2.7Å; E1559-T1562 VanDerWaalsContact O-OG1 3.07Å; E1559-F1563 WeakPolarHBondContact O-CB 3.33Å; E1559-F1563 PolarHBondContact O-N 3.32Å |
| 1560 | I | 90 | Very high | 88.9 | Confident | 109 Ų | 109 | 107 Ų | 107 | 56% | 0.559 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.9 | -38.5 | 175.7 | -70.1 | 167.2 | 0 | 0 | 0 | 111.1 | L1556 E1557 T1564 | L1556-I1560 WeakPolarHBondContact O-CB 3.39Å; L1556-I1560 WeakPolarHBondContact O-CD1 3.47Å; L1556-I1560 WeakPolarHBondContact O-CG1 3.12Å; L1556-I1560 PolarHBondContact O-N 3.44Å; E1557-I1560 PolarHBondContact O-N 3.38Å; I1560-T1564 HydrophobicContact CG2-CG2 4.33Å; I1560-T1564 VanDerWaalsContact O-CB 3.31Å; I1560-T1564 WeakPolarHBondContact O-CB 3.34Å; I1560-T1564 VanDerWaalsContact O-CG2 3.25Å; I1560-T1564 WeakPolarHBondContact O-CG2 3.04Å; I1560-T1564 PolarHBondContact O-N 3.02Å; I1560-T1564 PolarHBondContact O-OG1 2.85Å |
| 1561 | S | 88.7 | Confident | 89.2 | Confident | 47 Ų | 47 | 106.2 Ų | 106.2 | 33% | 0.329 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.8 | -50.9 | 176.7 | -177 | 0 | 0 | 0 | 0 | 111.1 | E1557 D1558 T1564 M1565 | E1557-S1561 WeakPolarHBondContact O-CB 3.33Å; E1557-S1561 PolarHBondContact O-N 2.92Å; D1558-S1561 PolarHBondContact O-N 3.5Å; S1561-T1564 PolarHBondContact O-N 3.14Å; S1561-T1564 PolarHBondContact O-OG1 2.98Å; S1561-T1564 VanDerWaalsContact O-OG1 3.06Å; S1561-M1565 WeakPolarHBondContact O-CG 3.15Å; S1561-M1565 PolarHBondContact O-N 3.41Å |
| 1562 | T | 89.8 | Confident | 89.4 | Confident | 80 Ų | 80 | 106.3 Ų | 106.3 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 176.5 | 51.2 | 0 | 0 | 0 | 0 | 111.7 | D1558 E1559 T1564 M1565 E1566 | D1558-T1562 WeakPolarHBondContact O-CB 3.48Å; D1558-T1562 WeakPolarHBondContact O-CG2 3.32Å; D1558-T1562 PolarHBondContact O-N 3.29Å; D1558-T1562 PolarHBondContact O-OG1 3.17Å; E1559-T1562 WeakPolarHBondContact CA-OG1 3.39Å; E1559-T1562 PolarHBondContact O-OG1 2.7Å; E1559-T1562 VanDerWaalsContact O-OG1 3.07Å; T1562-T1564 VanDerWaalsContact C-N 3.32Å; T1562-T1564 PolarHBondContact O-N 2.62Å; T1562-M1565 PolarHBondContact O-N 3.03Å; T1562-E1566 WeakPolarHBondContact O-CG 3.42Å; T1562-E1566 PolarHBondContact O-N 2.9Å |
| 1563 | F | 90.4 | Very high | 89.6 | Confident | 137 Ų | 137 | 106.1 Ų | 106.1 | 60% | 0.601 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.2 | -37.7 | 177 | -177.9 | -103.1 | 0 | 0 | 0 | 112.9 | E1559 K1567 | E1559-F1563 WeakPolarHBondContact O-CB 3.33Å; E1559-F1563 PolarHBondContact O-N 3.32Å; F1563-K1567 VanDerWaalsContact O-CB 3.27Å; F1563-K1567 WeakPolarHBondContact O-CB 3.41Å; F1563-K1567 PolarHBondContact O-N 3.47Å |
| 1564 | T | 91.4 | Very high | 89.8 | Confident | 58 Ų | 58 | 107.5 Ų | 107.5 | 36% | 0.356 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -73.2 | -33.4 | 176.1 | 54.8 | 0 | 0 | 0 | 0 | 112.8 | I1560 S1561 T1562 Q1568 | I1560-T1564 HydrophobicContact CG2-CG2 4.33Å; I1560-T1564 VanDerWaalsContact O-CB 3.31Å; I1560-T1564 WeakPolarHBondContact O-CB 3.34Å; I1560-T1564 VanDerWaalsContact O-CG2 3.25Å; I1560-T1564 WeakPolarHBondContact O-CG2 3.04Å; I1560-T1564 PolarHBondContact O-N 3.02Å; I1560-T1564 PolarHBondContact O-OG1 2.85Å; S1561-T1564 PolarHBondContact O-N 3.14Å; S1561-T1564 PolarHBondContact O-OG1 2.98Å; S1561-T1564 VanDerWaalsContact O-OG1 3.06Å; T1562-T1564 VanDerWaalsContact C-N 3.32Å; T1562-T1564 PolarHBondContact O-N 2.62Å; T1564-Q1568 WeakPolarHBondContact O-CB 3.26Å; T1564-Q1568 VanDerWaalsContact O-CG 3.28Å; T1564-Q1568 WeakPolarHBondContact O-CG 3.42Å; T1564-Q1568 PolarHBondContact O-N 3.34Å |
| 1565 | M | 90.2 | Very high | 90 | Very high | 127 Ų | 127 | 105 Ų | 105 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64 | -46.5 | 168.8 | -76.7 | -162.5 | 179.6 | 0 | 0 | 112.1 | S1561 T1562 K1567 Q1568 R1569 | S1561-M1565 WeakPolarHBondContact O-CG 3.15Å; S1561-M1565 PolarHBondContact O-N 3.41Å; T1562-M1565 PolarHBondContact O-N 3.03Å; M1565-K1567 PolarHBondContact O-N 3.31Å; M1565-Q1568 PolarHBondContact O-N 3.11Å; M1565-R1569 WeakPolarHBondContact O-CB 3.3Å; M1565-R1569 PolarHBondContact O-N 3.36Å |
| 1566 | E | 91 | Very high | 90.1 | Very high | 132 Ų | 132 | 103 Ų | 103 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61 | -44.4 | 176.6 | -72.6 | -162.2 | 147.3 | 0 | 0 | 111.6 | T1562 R1569 A1570 | T1562-E1566 WeakPolarHBondContact O-CG 3.42Å; T1562-E1566 PolarHBondContact O-N 2.9Å; E1566-R1569 WeakPolarHBondContact O-CB 3.49Å; E1566-R1569 PolarHBondContact O-N 3.06Å; E1566-A1570 WeakPolarHBondContact O-CB 3.12Å; E1566-A1570 PolarHBondContact O-N 3.23Å |
| 1567 | K | 92.1 | Very high | 90.2 | Very high | 110 Ų | 110 | 102.9 Ų | 102.9 | 48% | 0.478 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 174.3 | -176.7 | -169.3 | 165 | -165.9 | 0 | 111.9 | F1563 M1565 R1569 A1570 E1571 | F1563-K1567 VanDerWaalsContact O-CB 3.27Å; F1563-K1567 WeakPolarHBondContact O-CB 3.41Å; F1563-K1567 PolarHBondContact O-N 3.47Å; M1565-K1567 PolarHBondContact O-N 3.31Å; K1567-R1569 VanDerWaalsContact C-N 3.32Å; K1567-R1569 PolarHBondContact O-N 2.89Å; K1567-A1570 PolarHBondContact O-N 3.1Å; K1567-E1571 WeakPolarHBondContact CE-OE1 3.04Å; K1567-E1571 IonicContact NZ-OE1 3.65Å; K1567-E1571 WeakPolarHBondContact O-CG 3.4Å; K1567-E1571 PolarHBondContact O-N 3.32Å |
| 1568 | Q | 91.2 | Very high | 90.3 | Very high | 123 Ų | 123 | 103.5 Ų | 103.5 | 58% | 0.575 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.2 | -40.9 | 177.3 | -75.9 | 178.3 | 32.1 | 0 | 0 | 111.4 | T1564 M1565 A1570 E1571 V1572 | T1564-Q1568 WeakPolarHBondContact O-CB 3.26Å; T1564-Q1568 VanDerWaalsContact O-CG 3.28Å; T1564-Q1568 WeakPolarHBondContact O-CG 3.42Å; T1564-Q1568 PolarHBondContact O-N 3.34Å; M1565-Q1568 PolarHBondContact O-N 3.11Å; Q1568-A1570 PolarHBondContact O-N 2.76Å; Q1568-E1571 PolarHBondContact O-N 2.99Å; Q1568-V1572 WeakPolarHBondContact O-CB 3.02Å; Q1568-V1572 VanDerWaalsContact O-CG2 3.31Å; Q1568-V1572 WeakPolarHBondContact O-CG2 3.44Å; Q1568-V1572 PolarHBondContact O-N 3.28Å |
| 1569 | R | 91.2 | Very high | 90.4 | Very high | 175 Ų | 175 | 101.5 Ų | 101.5 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.9 | -43.1 | 175.1 | -171.7 | 179.8 | -174.9 | -175.3 | 2.3 | 111.5 | M1565 E1566 K1567 V1572 Q1573 | M1565-R1569 WeakPolarHBondContact O-CB 3.3Å; M1565-R1569 PolarHBondContact O-N 3.36Å; E1566-R1569 WeakPolarHBondContact O-CB 3.49Å; E1566-R1569 PolarHBondContact O-N 3.06Å; K1567-R1569 VanDerWaalsContact C-N 3.32Å; K1567-R1569 PolarHBondContact O-N 2.89Å; R1569-V1572 PolarHBondContact O-N 3.47Å; R1569-Q1573 WeakPolarHBondContact O-CB 3.03Å; R1569-Q1573 VanDerWaalsContact O-CG 3.28Å; R1569-Q1573 WeakPolarHBondContact O-CG 3.47Å; R1569-Q1573 PolarHBondContact O-N 3.3Å |
| 1570 | A | 88.8 | Confident | 90.5 | Very high | 53 Ų | 53 | 100.5 Ų | 100.5 | 44% | 0.438 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1566 K1567 Q1568 Q1573 M1574 | E1566-A1570 WeakPolarHBondContact O-CB 3.12Å; E1566-A1570 PolarHBondContact O-N 3.23Å; K1567-A1570 PolarHBondContact O-N 3.1Å; Q1568-A1570 PolarHBondContact O-N 2.76Å; A1570-Q1573 PolarHBondContact O-N 3.48Å; A1570-M1574 VanDerWaalsContact O-CB 3.31Å; A1570-M1574 WeakPolarHBondContact O-CB 2.96Å; A1570-M1574 PolarHBondContact O-N 2.93Å |
| 1571 | E | 91.1 | Very high | 90.5 | Very high | 92 Ų | 92 | 99.6 Ų | 99.6 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 174.7 | -74.9 | -178.9 | 173.8 | 0 | 0 | 111.7 | K1567 Q1568 N1575 | K1567-E1571 WeakPolarHBondContact CE-OE1 3.04Å; K1567-E1571 IonicContact NZ-OE1 3.65Å; K1567-E1571 WeakPolarHBondContact O-CG 3.4Å; K1567-E1571 PolarHBondContact O-N 3.32Å; Q1568-E1571 PolarHBondContact O-N 2.99Å; E1571-N1575 WeakPolarHBondContact O-CB 3.19Å; E1571-N1575 VanDerWaalsContact O-CG 3.27Å; E1571-N1575 PolarHBondContact O-N 3.49Å; E1571-N1575 PolarHBondContact O-ND2 3.11Å |
| 1572 | V | 91.5 | Very high | 90.5 | Very high | 100 Ų | 100 | 102 Ų | 102 | 61% | 0.606 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.3 | -44 | 173.8 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | Q1568 R1569 N1575 A1576 | Q1568-V1572 WeakPolarHBondContact O-CB 3.02Å; Q1568-V1572 VanDerWaalsContact O-CG2 3.31Å; Q1568-V1572 WeakPolarHBondContact O-CG2 3.44Å; Q1568-V1572 PolarHBondContact O-N 3.28Å; R1569-V1572 PolarHBondContact O-N 3.47Å; V1572-N1575 PolarHBondContact O-N 3.29Å; V1572-A1576 WeakPolarHBondContact O-CB 3.42Å; V1572-A1576 PolarHBondContact O-N 2.89Å |
| 1573 | Q | 91.3 | Very high | 90.5 | Very high | 111 Ų | 111 | 106.9 Ų | 106.9 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 175.1 | -77.8 | 174.7 | -22 | 0 | 0 | 111.9 | R1569 A1570 N1575 A1576 V1577 | R1569-Q1573 WeakPolarHBondContact O-CB 3.03Å; R1569-Q1573 VanDerWaalsContact O-CG 3.28Å; R1569-Q1573 WeakPolarHBondContact O-CG 3.47Å; R1569-Q1573 PolarHBondContact O-N 3.3Å; A1570-Q1573 PolarHBondContact O-N 3.48Å; Q1573-N1575 VanDerWaalsContact C-N 3.33Å; Q1573-N1575 PolarHBondContact O-N 2.88Å; Q1573-A1576 PolarHBondContact O-N 2.97Å; Q1573-V1577 WeakPolarHBondContact O-CG2 3.09Å; Q1573-V1577 PolarHBondContact O-N 2.74Å |
| 1574 | M | 88.5 | Confident | 90.6 | Very high | 121 Ų | 121 | 104.7 Ų | 104.7 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.6 | -41.4 | 176.4 | -174.7 | -173 | 66.3 | 0 | 0 | 111.5 | A1570 R1578 | A1570-M1574 VanDerWaalsContact O-CB 3.31Å; A1570-M1574 WeakPolarHBondContact O-CB 2.96Å; A1570-M1574 PolarHBondContact O-N 2.93Å; M1574-R1578 VanDerWaalsContact O-CB 3.24Å; M1574-R1578 WeakPolarHBondContact O-CB 3.45Å; M1574-R1578 PolarHBondContact O-N 2.94Å |
| 1575 | N | 90 | Very high | 90.5 | Very high | 81 Ų | 81 | 106.7 Ų | 106.7 | 43% | 0.433 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.4 | -38.3 | 175.9 | -73.2 | -35 | 0 | 0 | 0 | 112.2 | E1571 V1572 Q1573 R1578 T1579 | E1571-N1575 WeakPolarHBondContact O-CB 3.19Å; E1571-N1575 VanDerWaalsContact O-CG 3.27Å; E1571-N1575 PolarHBondContact O-N 3.49Å; E1571-N1575 PolarHBondContact O-ND2 3.11Å; V1572-N1575 PolarHBondContact O-N 3.29Å; Q1573-N1575 VanDerWaalsContact C-N 3.33Å; Q1573-N1575 PolarHBondContact O-N 2.88Å; N1575-R1578 WeakPolarHBondContact O-CB 2.92Å; N1575-R1578 PolarHBondContact O-N 2.81Å; N1575-T1579 PolarHBondContact O-N 3.33Å; N1575-T1579 PolarHBondContact O-OG1 3.37Å |
| 1576 | A | 90.5 | Very high | 90.4 | Very high | 58 Ų | 58 | 103 Ų | 103 | 48% | 0.479 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1572 Q1573 R1578 T1579 Q1580 | V1572-A1576 WeakPolarHBondContact O-CB 3.42Å; V1572-A1576 PolarHBondContact O-N 2.89Å; Q1573-A1576 PolarHBondContact O-N 2.97Å; A1576-R1578 VanDerWaalsContact C-N 3.29Å; A1576-R1578 PolarHBondContact O-N 2.7Å; A1576-T1579 PolarHBondContact O-N 2.6Å; A1576-Q1580 WeakPolarHBondContact O-CB 2.87Å; A1576-Q1580 PolarHBondContact O-N 3.08Å |
| 1577 | V | 90.7 | Very high | 90.3 | Very high | 81 Ų | 81 | 100.2 Ų | 100.2 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 174 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | Q1573 Q1580 L1581 | Q1573-V1577 WeakPolarHBondContact O-CG2 3.09Å; Q1573-V1577 PolarHBondContact O-N 2.74Å; V1577-Q1580 PolarHBondContact O-N 2.95Å; V1577-L1581 HydrophobicContact CG1-CD1 3.94Å; V1577-L1581 HydrophobicContact CG1-CG 4.4Å; V1577-L1581 WeakPolarHBondContact O-CB 3.29Å; V1577-L1581 VanDerWaalsContact O-CG 3.31Å; V1577-L1581 WeakPolarHBondContact O-CG 3.28Å; V1577-L1581 PolarHBondContact O-N 2.94Å |
| 1578 | R | 89.9 | Confident | 90.3 | Very high | 146 Ų | 146 | 102.2 Ų | 102.2 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.1 | -49.4 | 175.1 | -173.2 | -169.7 | -167.3 | 124.8 | 14.3 | 112.1 | M1574 N1575 A1576 Q1580 L1581 E1582 | M1574-R1578 VanDerWaalsContact O-CB 3.24Å; M1574-R1578 WeakPolarHBondContact O-CB 3.45Å; M1574-R1578 PolarHBondContact O-N 2.94Å; N1575-R1578 WeakPolarHBondContact O-CB 2.92Å; N1575-R1578 PolarHBondContact O-N 2.81Å; A1576-R1578 VanDerWaalsContact C-N 3.29Å; A1576-R1578 PolarHBondContact O-N 2.7Å; R1578-Q1580 VanDerWaalsContact C-N 3.27Å; R1578-Q1580 PolarHBondContact O-N 3.38Å; R1578-L1581 PolarHBondContact O-N 2.99Å; R1578-E1582 WeakPolarHBondContact CD-OE1 2.93Å; R1578-E1582 HydrophobicContact CG-CG 4.43Å; R1578-E1582 VanDerWaalsContact CG-OE1 3.3Å; R1578-E1582 WeakPolarHBondContact CG-OE1 3.22Å; R1578-E1582 IonicContact CZ-OE1 2.69Å; R1578-E1582 IonicContact NE-OE1 2.98Å; R1578-E1582 PolarHBondContact NE-OE1 3.44Å; R1578-E1582 WeakPolarHBondContact O-CB 3.37Å; R1578-E1582 WeakPolarHBondContact O-CG 3.41Å; R1578-E1582 PolarHBondContact O-N 3.39Å |
| 1579 | T | 90.6 | Very high | 90.2 | Very high | 61 Ų | 61 | 101.2 Ų | 101.2 | 37% | 0.374 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -31.4 | 177.9 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | N1575 A1576 R1583 | N1575-T1579 PolarHBondContact O-N 3.33Å; N1575-T1579 PolarHBondContact O-OG1 3.37Å; A1576-T1579 PolarHBondContact O-N 2.6Å; T1579-R1583 VanDerWaalsContact O-CG 3.27Å; T1579-R1583 WeakPolarHBondContact O-CG 3.18Å; T1579-R1583 PolarHBondContact O-N 2.87Å; T1579-R1583 VanDerWaalsContact O-N 3.15Å |
| 1580 | Q | 91.7 | Very high | 90 | Very high | 109 Ų | 109 | 98.4 Ų | 98.4 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -52.8 | 170 | 177.1 | 174 | -12.2 | 0 | 0 | 111 | A1576 V1577 R1578 E1582 R1583 E1584 | A1576-Q1580 WeakPolarHBondContact O-CB 2.87Å; A1576-Q1580 PolarHBondContact O-N 3.08Å; V1577-Q1580 PolarHBondContact O-N 2.95Å; R1578-Q1580 VanDerWaalsContact C-N 3.27Å; R1578-Q1580 PolarHBondContact O-N 3.38Å; Q1580-E1582 VanDerWaalsContact C-N 3.31Å; Q1580-E1582 PolarHBondContact O-N 2.91Å; Q1580-R1583 WeakPolarHBondContact O-CB 3.2Å; Q1580-R1583 PolarHBondContact O-N 3.25Å; Q1580-R1583 VanDerWaalsContact O-N 3.08Å; Q1580-E1584 HydrophobicContact CG-CG 4.35Å; Q1580-E1584 WeakPolarHBondContact CG-OE1 3.4Å; Q1580-E1584 PolarHBondContact NE2-OE1 2.94Å; Q1580-E1584 WeakPolarHBondContact O-CG 3.13Å; Q1580-E1584 PolarHBondContact O-N 3.24Å |
| 1581 | L | 90.2 | Very high | 90 | Very high | 89 Ų | 89 | 100 Ų | 100 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -37.5 | 177.8 | -72 | 169.7 | 0 | 0 | 0 | 112.7 | V1577 R1578 R1583 E1584 L1585 | V1577-L1581 HydrophobicContact CG1-CD1 3.94Å; V1577-L1581 HydrophobicContact CG1-CG 4.4Å; V1577-L1581 WeakPolarHBondContact O-CB 3.29Å; V1577-L1581 VanDerWaalsContact O-CG 3.31Å; V1577-L1581 WeakPolarHBondContact O-CG 3.28Å; V1577-L1581 PolarHBondContact O-N 2.94Å; R1578-L1581 PolarHBondContact O-N 2.99Å; L1581-R1583 VanDerWaalsContact C-N 3.34Å; L1581-E1584 PolarHBondContact O-N 3.01Å; L1581-L1585 VanDerWaalsContact O-CB 3.26Å; L1581-L1585 WeakPolarHBondContact O-CB 3.08Å; L1581-L1585 WeakPolarHBondContact O-CG 3.11Å; L1581-L1585 PolarHBondContact O-N 3.27Å |
| 1582 | E | 89.2 | Confident | 89.9 | Confident | 99 Ų | 99 | 99.2 Ų | 99.2 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -33.3 | 176.2 | -74.5 | 167.2 | -179.3 | 0 | 0 | 111.7 | R1578 Q1580 A1586 | R1578-E1582 WeakPolarHBondContact CD-OE1 2.93Å; R1578-E1582 HydrophobicContact CG-CG 4.43Å; R1578-E1582 VanDerWaalsContact CG-OE1 3.3Å; R1578-E1582 WeakPolarHBondContact CG-OE1 3.22Å; R1578-E1582 IonicContact CZ-OE1 2.69Å; R1578-E1582 IonicContact NE-OE1 2.98Å; R1578-E1582 PolarHBondContact NE-OE1 3.44Å; R1578-E1582 WeakPolarHBondContact O-CB 3.37Å; R1578-E1582 WeakPolarHBondContact O-CG 3.41Å; R1578-E1582 PolarHBondContact O-N 3.39Å; Q1580-E1582 VanDerWaalsContact C-N 3.31Å; Q1580-E1582 PolarHBondContact O-N 2.91Å; E1582-A1586 WeakPolarHBondContact O-CB 2.94Å; E1582-A1586 PolarHBondContact O-N 2.85Å; E1582-A1586 VanDerWaalsContact O-N 3.12Å |
| 1583 | R | 89.8 | Confident | 89.6 | Confident | 181 Ų | 181 | 98.7 Ų | 98.7 | 68% | 0.683 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -74.2 | -42.8 | 171.4 | -71.1 | 170.2 | -174.8 | 176.1 | 3 | 112.9 | T1579 Q1580 L1581 L1585 A1586 S1587 | T1579-R1583 VanDerWaalsContact O-CG 3.27Å; T1579-R1583 WeakPolarHBondContact O-CG 3.18Å; T1579-R1583 PolarHBondContact O-N 2.87Å; T1579-R1583 VanDerWaalsContact O-N 3.15Å; Q1580-R1583 WeakPolarHBondContact O-CB 3.2Å; Q1580-R1583 PolarHBondContact O-N 3.25Å; Q1580-R1583 VanDerWaalsContact O-N 3.08Å; L1581-R1583 VanDerWaalsContact C-N 3.34Å; R1583-L1585 VanDerWaalsContact C-N 3.35Å; R1583-A1586 PolarHBondContact O-N 3.4Å; R1583-S1587 WeakPolarHBondContact O-CB 3.36Å; R1583-S1587 PolarHBondContact O-N 2.78Å; R1583-S1587 PolarHBondContact O-OG 2.68Å |
| 1584 | E | 90.7 | Very high | 89.4 | Confident | 92 Ų | 92 | 98.3 Ų | 98.3 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 177 | -74 | 173 | -173.9 | 0 | 0 | 110.3 | Q1580 L1581 S1587 R1588 | Q1580-E1584 HydrophobicContact CG-CG 4.35Å; Q1580-E1584 WeakPolarHBondContact CG-OE1 3.4Å; Q1580-E1584 PolarHBondContact NE2-OE1 2.94Å; Q1580-E1584 WeakPolarHBondContact O-CG 3.13Å; Q1580-E1584 PolarHBondContact O-N 3.24Å; L1581-E1584 PolarHBondContact O-N 3.01Å; E1584-S1587 PolarHBondContact O-N 2.84Å; E1584-S1587 PolarHBondContact O-OG 3.26Å; E1584-R1588 VanDerWaalsContact O-CB 3.22Å; E1584-R1588 WeakPolarHBondContact O-CB 2.94Å; E1584-R1588 PolarHBondContact O-N 3.38Å |
| 1585 | L | 89.3 | Confident | 89.4 | Confident | 100 Ų | 100 | 97 Ų | 97 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 172.6 | -75.1 | 169.2 | 0 | 0 | 0 | 112.1 | L1581 R1583 R1588 D1589 | L1581-L1585 VanDerWaalsContact O-CB 3.26Å; L1581-L1585 WeakPolarHBondContact O-CB 3.08Å; L1581-L1585 WeakPolarHBondContact O-CG 3.11Å; L1581-L1585 PolarHBondContact O-N 3.27Å; R1583-L1585 VanDerWaalsContact C-N 3.35Å; L1585-R1588 PolarHBondContact O-N 3.41Å; L1585-D1589 WeakPolarHBondContact O-CB 3.42Å; L1585-D1589 PolarHBondContact O-N 3.38Å |
| 1586 | A | 89.6 | Confident | 89.2 | Confident | 50 Ų | 50 | 101 Ų | 101 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | E1582 R1583 R1588 D1589 D1590 | E1582-A1586 WeakPolarHBondContact O-CB 2.94Å; E1582-A1586 PolarHBondContact O-N 2.85Å; E1582-A1586 VanDerWaalsContact O-N 3.12Å; R1583-A1586 PolarHBondContact O-N 3.4Å; A1586-R1588 PolarHBondContact O-N 2.96Å; A1586-D1589 PolarHBondContact O-N 3.24Å; A1586-D1589 VanDerWaalsContact O-N 3.15Å; A1586-D1590 PolarHBondContact O-N 3.35Å |
| 1587 | S | 89.2 | Confident | 89 | Confident | 72 Ų | 72 | 105.1 Ų | 105.1 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -30.2 | 177.8 | 69.5 | 0 | 0 | 0 | 0 | 113.4 | R1583 E1584 L1591 | R1583-S1587 WeakPolarHBondContact O-CB 3.36Å; R1583-S1587 PolarHBondContact O-N 2.78Å; R1583-S1587 PolarHBondContact O-OG 2.68Å; E1584-S1587 PolarHBondContact O-N 2.84Å; E1584-S1587 PolarHBondContact O-OG 3.26Å; S1587-L1591 VanDerWaalsContact O-CB 3.29Å; S1587-L1591 WeakPolarHBondContact O-CB 3.41Å; S1587-L1591 PolarHBondContact O-N 2.97Å |
| 1588 | R | 90.6 | Very high | 88.8 | Confident | 153 Ų | 153 | 106.4 Ų | 106.4 | 58% | 0.577 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -75 | -39.9 | 175.1 | 178.4 | -177.4 | 172.3 | 85.2 | 8.9 | 111.6 | E1584 L1585 A1586 L1591 L1592 | E1584-R1588 VanDerWaalsContact O-CB 3.22Å; E1584-R1588 WeakPolarHBondContact O-CB 2.94Å; E1584-R1588 PolarHBondContact O-N 3.38Å; L1585-R1588 PolarHBondContact O-N 3.41Å; A1586-R1588 PolarHBondContact O-N 2.96Å; R1588-L1591 PolarHBondContact O-N 2.6Å; R1588-L1592 HydrophobicContact CG-CD1 3.98Å; R1588-L1592 HydrophobicContact CG-CG 4.42Å; R1588-L1592 VanDerWaalsContact O-CB 3.3Å; R1588-L1592 WeakPolarHBondContact O-CB 3.39Å; R1588-L1592 WeakPolarHBondContact O-CG 3.36Å; R1588-L1592 PolarHBondContact O-N 2.65Å |
| 1589 | D | 88.8 | Confident | 88.6 | Confident | 101 Ų | 101 | 102.6 Ų | 102.6 | 54% | 0.54 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.1 | -38.5 | 177.3 | -76.3 | -15.6 | 0 | 0 | 0 | 110.9 | L1585 A1586 L1592 E1593 | L1585-D1589 WeakPolarHBondContact O-CB 3.42Å; L1585-D1589 PolarHBondContact O-N 3.38Å; A1586-D1589 PolarHBondContact O-N 3.24Å; A1586-D1589 VanDerWaalsContact O-N 3.15Å; D1589-L1592 PolarHBondContact O-N 3.15Å; D1589-E1593 PolarHBondContact O-N 2.9Å |
| 1590 | D | 87.7 | Confident | 88.3 | Confident | 116 Ų | 116 | 103.6 Ų | 103.6 | 62% | 0.62 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.4 | -49.5 | 169.9 | -74.6 | -33.6 | 0 | 0 | 0 | 111.1 | A1586 L1592 E1593 E1594 | A1586-D1590 PolarHBondContact O-N 3.35Å; D1590-L1592 VanDerWaalsContact C-N 3.34Å; D1590-L1592 PolarHBondContact O-N 2.9Å; D1590-E1593 PolarHBondContact O-N 3.21Å; D1590-E1594 PolarHBondContact O-N 2.95Å |
| 1591 | L | 89.9 | Confident | 88 | Confident | 88 Ų | 88 | 104.8 Ų | 104.8 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 176.6 | 178.8 | 64 | 0 | 0 | 0 | 112.4 | S1587 R1588 E1594 Q1595 | S1587-L1591 VanDerWaalsContact O-CB 3.29Å; S1587-L1591 WeakPolarHBondContact O-CB 3.41Å; S1587-L1591 PolarHBondContact O-N 2.97Å; R1588-L1591 PolarHBondContact O-N 2.6Å; L1591-E1594 PolarHBondContact O-N 2.87Å; L1591-Q1595 HydrophobicContact CD1-CG 4.34Å; L1591-Q1595 WeakPolarHBondContact O-CB 3.39Å; L1591-Q1595 VanDerWaalsContact O-CG 3.27Å; L1591-Q1595 WeakPolarHBondContact O-CG 3.22Å; L1591-Q1595 PolarHBondContact O-N 2.92Å |
| 1592 | L | 88.6 | Confident | 87.8 | Confident | 74 Ų | 74 | 108.9 Ų | 108.9 | 39% | 0.387 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.1 | -33.6 | 176.1 | -75.9 | 170.8 | 0 | 0 | 0 | 111.9 | R1588 D1589 D1590 R1596 | R1588-L1592 HydrophobicContact CG-CD1 3.98Å; R1588-L1592 HydrophobicContact CG-CG 4.42Å; R1588-L1592 VanDerWaalsContact O-CB 3.3Å; R1588-L1592 WeakPolarHBondContact O-CB 3.39Å; R1588-L1592 WeakPolarHBondContact O-CG 3.36Å; R1588-L1592 PolarHBondContact O-N 2.65Å; D1589-L1592 PolarHBondContact O-N 3.15Å; D1590-L1592 VanDerWaalsContact C-N 3.34Å; D1590-L1592 PolarHBondContact O-N 2.9Å; L1592-R1596 WeakPolarHBondContact O-CB 2.93Å; L1592-R1596 PolarHBondContact O-N 3.24Å |
| 1593 | E | 85.2 | Confident | 87.5 | Confident | 90 Ų | 90 | 108 Ų | 108 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.5 | -37.8 | 171.9 | -152.2 | -167.5 | 139.9 | 0 | 0 | 111.3 | D1589 D1590 R1596 R1597 | D1589-E1593 PolarHBondContact O-N 2.9Å; D1590-E1593 PolarHBondContact O-N 3.21Å; E1593-R1596 PolarHBondContact O-N 2.75Å; E1593-R1597 VanDerWaalsContact CD-NH2 3.32Å; E1593-R1597 WeakPolarHBondContact O-CB 3.5Å; E1593-R1597 VanDerWaalsContact O-CG 3.23Å; E1593-R1597 WeakPolarHBondContact O-CG 2.89Å; E1593-R1597 PolarHBondContact O-N 2.96Å; E1593-R1597 IonicContact OE1-CZ 3.32Å; E1593-R1597 IonicContact OE1-NE 2.79Å; E1593-R1597 PolarHBondContact OE1-NE 2.77Å; E1593-R1597 IonicContact OE1-NH2 3.19Å; E1593-R1597 PolarHBondContact OE1-NH2 3.15Å; E1593-R1597 IonicContact OE2-NH2 2.68Å |
| 1594 | E | 86.1 | Confident | 87.1 | Confident | 103 Ų | 103 | 107.3 Ų | 107.3 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -52.5 | 173 | -168.8 | -177.1 | 174.8 | 0 | 0 | 111.5 | D1590 L1591 R1596 R1597 Q1598 | D1590-E1594 PolarHBondContact O-N 2.95Å; L1591-E1594 PolarHBondContact O-N 2.87Å; E1594-R1596 PolarHBondContact O-N 3.09Å; E1594-R1597 CarbonylContact O-C 3.32Å; E1594-R1597 PolarHBondContact O-N 3.47Å; E1594-Q1598 HydrophobicContact CG-CG 4.34Å; E1594-Q1598 WeakPolarHBondContact O-CG 3.08Å; E1594-Q1598 PolarHBondContact O-N 2.79Å; E1594-Q1598 PolarHBondContact OE1-NE2 2.72Å |
| 1595 | Q | 88.1 | Confident | 86.7 | Confident | 92 Ų | 92 | 106.1 Ų | 106.1 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -56.5 | -36.6 | 175.2 | -75.4 | 178 | -1.8 | 0 | 0 | 111.8 | L1591 S1599 | L1591-Q1595 HydrophobicContact CD1-CG 4.34Å; L1591-Q1595 WeakPolarHBondContact O-CB 3.39Å; L1591-Q1595 VanDerWaalsContact O-CG 3.27Å; L1591-Q1595 WeakPolarHBondContact O-CG 3.22Å; L1591-Q1595 PolarHBondContact O-N 2.92Å; Q1595-S1599 VanDerWaalsContact O-CB 3.23Å; Q1595-S1599 WeakPolarHBondContact O-CB 3.28Å; Q1595-S1599 PolarHBondContact O-N 2.79Å; Q1595-S1599 PolarHBondContact O-OG 2.77Å |
| 1596 | R | 87 | Confident | 86.5 | Confident | 166 Ų | 166 | 105.6 Ų | 105.6 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.7 | -40.8 | 174.1 | -179.8 | -179.6 | 174.9 | -157 | -4.4 | 112.4 | L1592 E1593 E1594 S1599 L1600 | L1592-R1596 WeakPolarHBondContact O-CB 2.93Å; L1592-R1596 PolarHBondContact O-N 3.24Å; E1593-R1596 PolarHBondContact O-N 2.75Å; E1594-R1596 PolarHBondContact O-N 3.09Å; R1596-S1599 PolarHBondContact O-N 3.42Å; R1596-L1600 HydrophobicContact CG-CD1 4.01Å; R1596-L1600 WeakPolarHBondContact O-CB 3.49Å; R1596-L1600 VanDerWaalsContact O-CG 3.23Å; R1596-L1600 WeakPolarHBondContact O-CG 3.37Å; R1596-L1600 PolarHBondContact O-N 2.84Å |
| 1597 | R | 85 | Confident | 86 | Confident | 144 Ų | 144 | 108.6 Ų | 108.6 | 54% | 0.543 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 175.4 | -72.6 | 168.8 | -174.6 | -179.2 | 6.2 | 111 | E1593 E1594 L1600 K1601 | E1593-R1597 VanDerWaalsContact CD-NH2 3.32Å; E1593-R1597 WeakPolarHBondContact O-CB 3.5Å; E1593-R1597 VanDerWaalsContact O-CG 3.23Å; E1593-R1597 WeakPolarHBondContact O-CG 2.89Å; E1593-R1597 PolarHBondContact O-N 2.96Å; E1593-R1597 IonicContact OE1-CZ 3.32Å; E1593-R1597 IonicContact OE1-NE 2.79Å; E1593-R1597 PolarHBondContact OE1-NE 2.77Å; E1593-R1597 IonicContact OE1-NH2 3.19Å; E1593-R1597 PolarHBondContact OE1-NH2 3.15Å; E1593-R1597 IonicContact OE2-NH2 2.68Å; E1594-R1597 CarbonylContact O-C 3.32Å; E1594-R1597 PolarHBondContact O-N 3.47Å; R1597-L1600 PolarHBondContact O-N 2.96Å; R1597-K1601 PolarHBondContact O-N 3.24Å |
| 1598 | Q | 87 | Confident | 85.6 | Confident | 108 Ų | 108 | 109 Ų | 109 | 51% | 0.505 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60 | -46.3 | 173.6 | -67.9 | 176.3 | 5.1 | 0 | 0 | 111.3 | E1594 L1600 K1601 R1602 | E1594-Q1598 HydrophobicContact CG-CG 4.34Å; E1594-Q1598 WeakPolarHBondContact O-CG 3.08Å; E1594-Q1598 PolarHBondContact O-N 2.79Å; E1594-Q1598 PolarHBondContact OE1-NE2 2.72Å; Q1598-L1600 PolarHBondContact O-N 3.41Å; Q1598-K1601 PolarHBondContact O-N 3.28Å; Q1598-R1602 PolarHBondContact O-N 3.24Å |
| 1599 | S | 85.4 | Confident | 85.3 | Confident | 67 Ų | 67 | 107.4 Ų | 107.4 | 47% | 0.469 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 176.1 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | Q1595 R1596 I1603 | Q1595-S1599 VanDerWaalsContact O-CB 3.23Å; Q1595-S1599 WeakPolarHBondContact O-CB 3.28Å; Q1595-S1599 PolarHBondContact O-N 2.79Å; Q1595-S1599 PolarHBondContact O-OG 2.77Å; R1596-S1599 PolarHBondContact O-N 3.42Å; S1599-I1603 WeakPolarHBondContact O-CB 3.38Å; S1599-I1603 WeakPolarHBondContact O-CD1 3.3Å; S1599-I1603 WeakPolarHBondContact O-CG1 3.42Å; S1599-I1603 PolarHBondContact O-N 3.42Å |
| 1600 | L | 84.4 | Confident | 84.9 | Confident | 82 Ų | 82 | 106.8 Ų | 106.8 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.5 | -32.4 | 176.1 | -74.4 | 169.7 | 0 | 0 | 0 | 112.7 | R1596 R1597 Q1598 R1604 | R1596-L1600 HydrophobicContact CG-CD1 4.01Å; R1596-L1600 WeakPolarHBondContact O-CB 3.49Å; R1596-L1600 VanDerWaalsContact O-CG 3.23Å; R1596-L1600 WeakPolarHBondContact O-CG 3.37Å; R1596-L1600 PolarHBondContact O-N 2.84Å; R1597-L1600 PolarHBondContact O-N 2.96Å; Q1598-L1600 PolarHBondContact O-N 3.41Å; L1600-R1604 VanDerWaalsContact O-CG 3.32Å; L1600-R1604 WeakPolarHBondContact O-CG 3.06Å; L1600-R1604 PolarHBondContact O-N 3.47Å |
| 1601 | K | 85.9 | Confident | 84.4 | Confident | 133 Ų | 133 | 106.8 Ų | 106.8 | 58% | 0.578 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -51.6 | 170.7 | -165.3 | -171.7 | -174.8 | -106.3 | 0 | 109.7 | R1597 Q1598 I1603 R1604 E1605 | R1597-K1601 PolarHBondContact O-N 3.24Å; Q1598-K1601 PolarHBondContact O-N 3.28Å; K1601-I1603 VanDerWaalsContact C-N 3.33Å; K1601-I1603 PolarHBondContact O-N 2.69Å; K1601-R1604 WeakPolarHBondContact O-CA 3.29Å; K1601-R1604 WeakPolarHBondContact O-CB 3.4Å; K1601-R1604 PolarHBondContact O-N 3Å; K1601-E1605 VanDerWaalsContact CE-OE1 3.28Å; K1601-E1605 WeakPolarHBondContact CE-OE1 3.22Å; K1601-E1605 HydrophobicContact CG-CG 4.49Å; K1601-E1605 WeakPolarHBondContact CG-OE1 3.44Å; K1601-E1605 IonicContact NZ-OE1 3.22Å; K1601-E1605 PolarHBondContact NZ-OE1 3.49Å; K1601-E1605 VanDerWaalsContact O-CG 3.31Å; K1601-E1605 WeakPolarHBondContact O-CG 3.38Å; K1601-E1605 PolarHBondContact O-N 3.3Å |
| 1602 | R | 86.3 | Confident | 83.8 | Confident | 175 Ų | 175 | 107.2 Ų | 107.2 | 66% | 0.66 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -34.4 | 178.9 | -166.6 | 172 | -175.7 | 166.2 | 4 | 113.9 | Q1598 E1605 L1606 | Q1598-R1602 PolarHBondContact O-N 3.24Å; R1602-E1605 VanDerWaalsContact CA-OE2 3.23Å; R1602-E1605 WeakPolarHBondContact CA-OE2 2.99Å; R1602-E1605 PolarHBondContact N-OE2 3.5Å; R1602-L1606 HydrophobicContact CG-CD1 4.15Å; R1602-L1606 WeakPolarHBondContact O-CB 3.41Å; R1602-L1606 WeakPolarHBondContact O-CD1 3.42Å; R1602-L1606 VanDerWaalsContact O-CG 3.25Å; R1602-L1606 WeakPolarHBondContact O-CG 3.27Å; R1602-L1606 PolarHBondContact O-N 2.83Å |
| 1603 | I | 83.1 | Confident | 83.3 | Confident | 82 Ų | 82 | 108 Ų | 108 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 171.4 | -73.6 | 164.7 | 0 | 0 | 0 | 110.4 | S1599 K1601 E1605 L1606 E1607 | S1599-I1603 WeakPolarHBondContact O-CB 3.38Å; S1599-I1603 WeakPolarHBondContact O-CD1 3.3Å; S1599-I1603 WeakPolarHBondContact O-CG1 3.42Å; S1599-I1603 PolarHBondContact O-N 3.42Å; K1601-I1603 VanDerWaalsContact C-N 3.33Å; K1601-I1603 PolarHBondContact O-N 2.69Å; I1603-E1605 PolarHBondContact O-N 2.86Å; I1603-L1606 PolarHBondContact O-N 3.45Å; I1603-E1607 HydrophobicContact CG2-CG 4.2Å; I1603-E1607 VanDerWaalsContact O-CB 3.29Å; I1603-E1607 WeakPolarHBondContact O-CB 3.44Å; I1603-E1607 VanDerWaalsContact O-CG 3.23Å; I1603-E1607 WeakPolarHBondContact O-CG 3.28Å; I1603-E1607 PolarHBondContact O-N 2.98Å |
| 1604 | R | 81.8 | Confident | 82.9 | Confident | 165 Ų | 165 | 109.3 Ų | 109.3 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.3 | -42.2 | 175.9 | -75.2 | 172.8 | 176.1 | -170.9 | -2.3 | 112.5 | L1600 K1601 E1607 T1608 | L1600-R1604 VanDerWaalsContact O-CG 3.32Å; L1600-R1604 WeakPolarHBondContact O-CG 3.06Å; L1600-R1604 PolarHBondContact O-N 3.47Å; K1601-R1604 WeakPolarHBondContact O-CA 3.29Å; K1601-R1604 WeakPolarHBondContact O-CB 3.4Å; K1601-R1604 PolarHBondContact O-N 3Å; R1604-E1607 PolarHBondContact O-N 3.38Å; R1604-T1608 PolarHBondContact O-N 2.85Å; R1604-T1608 PolarHBondContact O-OG1 3.27Å |
| 1605 | E | 82.6 | Confident | 82.5 | Confident | 68 Ų | 68 | 111.2 Ų | 111.2 | 32% | 0.318 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.9 | -50.3 | 177.5 | -71.5 | 161.8 | 158.1 | 0 | 0 | 110.5 | K1601 R1602 I1603 E1607 T1608 E1609 | K1601-E1605 VanDerWaalsContact CE-OE1 3.28Å; K1601-E1605 WeakPolarHBondContact CE-OE1 3.22Å; K1601-E1605 HydrophobicContact CG-CG 4.49Å; K1601-E1605 WeakPolarHBondContact CG-OE1 3.44Å; K1601-E1605 IonicContact NZ-OE1 3.22Å; K1601-E1605 PolarHBondContact NZ-OE1 3.49Å; K1601-E1605 VanDerWaalsContact O-CG 3.31Å; K1601-E1605 WeakPolarHBondContact O-CG 3.38Å; K1601-E1605 PolarHBondContact O-N 3.3Å; R1602-E1605 VanDerWaalsContact CA-OE2 3.23Å; R1602-E1605 WeakPolarHBondContact CA-OE2 2.99Å; R1602-E1605 PolarHBondContact N-OE2 3.5Å; I1603-E1605 PolarHBondContact O-N 2.86Å; E1605-E1607 PolarHBondContact O-N 3.42Å; E1605-T1608 WeakPolarHBondContact CA-OG1 3.4Å; E1605-T1608 PolarHBondContact O-N 3.43Å; E1605-T1608 PolarHBondContact O-OG1 3.11Å; E1605-E1609 WeakPolarHBondContact O-CG 3.34Å; E1605-E1609 PolarHBondContact O-N 2.88Å |
| 1606 | L | 83.9 | Confident | 81.9 | Confident | 89 Ų | 89 | 112.6 Ų | 112.6 | 47% | 0.466 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -32.6 | 174.8 | -68.7 | 168.3 | 0 | 0 | 0 | 113.2 | R1602 I1603 L1610 | R1602-L1606 HydrophobicContact CG-CD1 4.15Å; R1602-L1606 WeakPolarHBondContact O-CB 3.41Å; R1602-L1606 WeakPolarHBondContact O-CD1 3.42Å; R1602-L1606 VanDerWaalsContact O-CG 3.25Å; R1602-L1606 WeakPolarHBondContact O-CG 3.27Å; R1602-L1606 PolarHBondContact O-N 2.83Å; I1603-L1606 PolarHBondContact O-N 3.45Å; L1606-L1610 WeakPolarHBondContact O-CB 3.22Å; L1606-L1610 PolarHBondContact O-N 2.71Å |
| 1607 | E | 80.5 | Confident | 81.4 | Confident | 113 Ų | 113 | 112.3 Ų | 112.3 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 172.5 | -78.3 | 172.8 | 159.6 | 0 | 0 | 110.7 | I1603 R1604 E1605 E1611 | I1603-E1607 HydrophobicContact CG2-CG 4.2Å; I1603-E1607 VanDerWaalsContact O-CB 3.29Å; I1603-E1607 WeakPolarHBondContact O-CB 3.44Å; I1603-E1607 VanDerWaalsContact O-CG 3.23Å; I1603-E1607 WeakPolarHBondContact O-CG 3.28Å; I1603-E1607 PolarHBondContact O-N 2.98Å; R1604-E1607 PolarHBondContact O-N 3.38Å; E1605-E1607 PolarHBondContact O-N 3.42Å; E1607-E1611 WeakPolarHBondContact O-CB 3.17Å; E1607-E1611 WeakPolarHBondContact O-CG 3.27Å; E1607-E1611 PolarHBondContact O-N 3.02Å |
| 1608 | T | 79.6 | Confident | 81 | Confident | 80 Ų | 80 | 107.7 Ų | 107.7 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.3 | -45.8 | 174.8 | 42.9 | 0 | 0 | 0 | 0 | 113 | R1604 E1605 L1610 E1611 E1612 | R1604-T1608 PolarHBondContact O-N 2.85Å; R1604-T1608 PolarHBondContact O-OG1 3.27Å; E1605-T1608 WeakPolarHBondContact CA-OG1 3.4Å; E1605-T1608 PolarHBondContact O-N 3.43Å; E1605-T1608 PolarHBondContact O-OG1 3.11Å; T1608-L1610 VanDerWaalsContact C-N 3.28Å; T1608-L1610 PolarHBondContact O-N 2.87Å; T1608-E1611 PolarHBondContact O-N 3.33Å; T1608-E1612 WeakPolarHBondContact O-CB 3.23Å; T1608-E1612 WeakPolarHBondContact O-CG 3.47Å; T1608-E1612 PolarHBondContact O-N 2.99Å |
| 1609 | E | 84.1 | Confident | 80.4 | Confident | 119 Ų | 119 | 105.8 Ų | 105.8 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -57.7 | -42.5 | 175.5 | -73.4 | 169.4 | -166.9 | 0 | 0 | 111 | E1605 E1612 E1613 | E1605-E1609 WeakPolarHBondContact O-CG 3.34Å; E1605-E1609 PolarHBondContact O-N 2.88Å; E1609-E1612 PolarHBondContact O-N 2.95Å; E1609-E1613 WeakPolarHBondContact O-CB 3.41Å; E1609-E1613 PolarHBondContact O-N 3.08Å |
| 1610 | L | 79.8 | Confident | 79.9 | Confident | 88 Ų | 88 | 108.9 Ų | 108.9 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.7 | -38.6 | 177.9 | -176.4 | 63.5 | 0 | 0 | 0 | 112.8 | L1606 T1608 E1612 Q1614 | L1606-L1610 WeakPolarHBondContact O-CB 3.22Å; L1606-L1610 PolarHBondContact O-N 2.71Å; T1608-L1610 VanDerWaalsContact C-N 3.28Å; T1608-L1610 PolarHBondContact O-N 2.87Å; L1610-E1612 VanDerWaalsContact C-N 3.32Å; L1610-Q1614 HydrophobicContact CD1-CG 4.25Å; L1610-Q1614 VanDerWaalsContact O-CB 3.26Å; L1610-Q1614 WeakPolarHBondContact O-CB 3.32Å; L1610-Q1614 WeakPolarHBondContact O-CG 3.43Å; L1610-Q1614 PolarHBondContact O-N 3.15Å |
| 1611 | E | 77.7 | Confident | 79.3 | Confident | 116 Ų | 116 | 108.7 Ų | 108.7 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.8 | -34.5 | 173.4 | -84.6 | -163.9 | -159.9 | 0 | 0 | 112.1 | E1607 T1608 R1615 | E1607-E1611 WeakPolarHBondContact O-CB 3.17Å; E1607-E1611 WeakPolarHBondContact O-CG 3.27Å; E1607-E1611 PolarHBondContact O-N 3.02Å; T1608-E1611 PolarHBondContact O-N 3.33Å; E1611-R1615 WeakPolarHBondContact O-CB 3.39Å; E1611-R1615 PolarHBondContact O-N 2.67Å; E1611-R1615 VanDerWaalsContact O-N 3.09Å; E1611-R1615 IonicContact OE2-NH2 3.69Å; E1611-R1615 PolarHBondContact OE2-NH2 2.64Å |
| 1612 | E | 77.9 | Confident | 78.7 | Confident | 98 Ų | 98 | 106.4 Ų | 106.4 | 46% | 0.458 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -74.9 | -48.2 | 176.6 | -70.1 | -173.4 | 154.6 | 0 | 0 | 111.4 | T1608 E1609 L1610 Q1614 R1615 E1616 | T1608-E1612 WeakPolarHBondContact O-CB 3.23Å; T1608-E1612 WeakPolarHBondContact O-CG 3.47Å; T1608-E1612 PolarHBondContact O-N 2.99Å; E1609-E1612 PolarHBondContact O-N 2.95Å; L1610-E1612 VanDerWaalsContact C-N 3.32Å; E1612-Q1614 VanDerWaalsContact C-N 3.32Å; E1612-Q1614 PolarHBondContact O-N 2.65Å; E1612-R1615 PolarHBondContact O-N 3.22Å; E1612-R1615 VanDerWaalsContact O-N 3.09Å; E1612-E1616 WeakPolarHBondContact O-CG 3.45Å; E1612-E1616 PolarHBondContact O-N 2.72Å |
| 1613 | E | 77.3 | Confident | 78.2 | Confident | 91 Ų | 91 | 101.9 Ų | 101.9 | 43% | 0.425 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.7 | -45.9 | 174.3 | -164.8 | -134.2 | 129.2 | 0 | 0 | 110.9 | E1609 R1615 R1617 | E1609-E1613 WeakPolarHBondContact O-CB 3.41Å; E1609-E1613 PolarHBondContact O-N 3.08Å; E1613-R1615 VanDerWaalsContact C-N 3.34Å; E1613-R1615 PolarHBondContact O-N 2.81Å; E1613-R1617 WeakPolarHBondContact O-CB 3.41Å; E1613-R1617 PolarHBondContact O-N 2.92Å; E1613-R1617 WeakPolarHBondContact OE1-CD 3.19Å; E1613-R1617 IonicContact OE1-CZ 3.99Å; E1613-R1617 IonicContact OE1-NE 2.63Å; E1613-R1617 IonicContact OE1-NH1 2.71Å; E1613-R1617 PolarHBondContact OE1-NH1 2.82Å |
| 1614 | Q | 77.2 | Confident | 77.8 | Confident | 116 Ų | 116 | 105.4 Ų | 105.4 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 177.8 | -74.8 | -178 | 28.2 | 0 | 0 | 112.5 | L1610 E1612 A1618 | L1610-Q1614 HydrophobicContact CD1-CG 4.25Å; L1610-Q1614 VanDerWaalsContact O-CB 3.26Å; L1610-Q1614 WeakPolarHBondContact O-CB 3.32Å; L1610-Q1614 WeakPolarHBondContact O-CG 3.43Å; L1610-Q1614 PolarHBondContact O-N 3.15Å; E1612-Q1614 VanDerWaalsContact C-N 3.32Å; E1612-Q1614 PolarHBondContact O-N 2.65Å; Q1614-A1618 WeakPolarHBondContact O-CB 3.33Å; Q1614-A1618 PolarHBondContact O-N 3.23Å |
| 1615 | R | 77.2 | Confident | 77.5 | Confident | 143 Ų | 143 | 102.9 Ų | 102.9 | 54% | 0.54 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.4 | -47 | -179.1 | -171.1 | -174.8 | -53.4 | 141.6 | 7.1 | 111.6 | E1611 E1612 E1613 S1619 | E1611-R1615 WeakPolarHBondContact O-CB 3.39Å; E1611-R1615 PolarHBondContact O-N 2.67Å; E1611-R1615 VanDerWaalsContact O-N 3.09Å; E1611-R1615 IonicContact OE2-NH2 3.69Å; E1611-R1615 PolarHBondContact OE2-NH2 2.64Å; E1612-R1615 PolarHBondContact O-N 3.22Å; E1612-R1615 VanDerWaalsContact O-N 3.09Å; E1613-R1615 VanDerWaalsContact C-N 3.34Å; E1613-R1615 PolarHBondContact O-N 2.81Å; R1615-S1619 VanDerWaalsContact O-CB 3.27Å; R1615-S1619 WeakPolarHBondContact O-CB 3.46Å; R1615-S1619 PolarHBondContact O-N 2.76Å |
| 1616 | E | 76.7 | Confident | 77.1 | Confident | 121 Ų | 121 | 104.1 Ų | 104.1 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.3 | -50.2 | 176.5 | -69.2 | -173.1 | 166 | 0 | 0 | 111.1 | E1612 A1618 S1619 H1620 | E1612-E1616 WeakPolarHBondContact O-CG 3.45Å; E1612-E1616 PolarHBondContact O-N 2.72Å; E1616-A1618 VanDerWaalsContact C-N 3.33Å; E1616-A1618 PolarHBondContact O-N 2.93Å; E1616-S1619 WeakPolarHBondContact O-CB 3.36Å; E1616-S1619 PolarHBondContact O-N 2.8Å; E1616-S1619 VanDerWaalsContact O-N 3.13Å; E1616-H1620 PolarHBondContact O-CD2 3.36Å; E1616-H1620 PolarHBondContact O-N 3.04Å |
| 1617 | R | 76 | Confident | 76.7 | Confident | 161 Ų | 161 | 105 Ų | 105 | 61% | 0.608 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.9 | -40.6 | 179.1 | -173.1 | 172.1 | 179 | 170.8 | 1 | 111.9 | E1613 L1621 | E1613-R1617 WeakPolarHBondContact O-CB 3.41Å; E1613-R1617 PolarHBondContact O-N 2.92Å; E1613-R1617 WeakPolarHBondContact OE1-CD 3.19Å; E1613-R1617 IonicContact OE1-CZ 3.99Å; E1613-R1617 IonicContact OE1-NE 2.63Å; E1613-R1617 IonicContact OE1-NH1 2.71Å; E1613-R1617 PolarHBondContact OE1-NH1 2.82Å; R1617-L1621 WeakPolarHBondContact O-CB 3.13Å; R1617-L1621 PolarHBondContact O-N 2.86Å |
| 1618 | A | 75.6 | Confident | 76.6 | Confident | 46 Ų | 46 | 104 Ų | 104 | 38% | 0.38 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q1614 E1616 N1622 | Q1614-A1618 WeakPolarHBondContact O-CB 3.33Å; Q1614-A1618 PolarHBondContact O-N 3.23Å; E1616-A1618 VanDerWaalsContact C-N 3.33Å; E1616-A1618 PolarHBondContact O-N 2.93Å; A1618-N1622 WeakPolarHBondContact O-CB 3.39Å; A1618-N1622 PolarHBondContact O-N 3.45Å; A1618-N1622 PolarHBondContact O-ND2 3.03Å |
| 1619 | S | 75.1 | Confident | 76.4 | Confident | 68 Ų | 68 | 104.1 Ų | 104.1 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -59.9 | 177.6 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | R1615 E1616 L1621 N1622 V1623 | R1615-S1619 VanDerWaalsContact O-CB 3.27Å; R1615-S1619 WeakPolarHBondContact O-CB 3.46Å; R1615-S1619 PolarHBondContact O-N 2.76Å; E1616-S1619 WeakPolarHBondContact O-CB 3.36Å; E1616-S1619 PolarHBondContact O-N 2.8Å; E1616-S1619 VanDerWaalsContact O-N 3.13Å; S1619-L1621 PolarHBondContact O-N 2.91Å; S1619-N1622 PolarHBondContact O-N 2.85Å; S1619-V1623 WeakPolarHBondContact O-CB 3.39Å; S1619-V1623 WeakPolarHBondContact O-CG2 3.41Å; S1619-V1623 PolarHBondContact O-N 3.4Å |
| 1620 | H | 74.4 | Confident | 76.1 | Confident | 133 Ų | 133 | 101.7 Ų | 101.7 | 62% | 0.616 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | -179.4 | -70 | -63.1 | 0 | 0 | 0 | 112.2 | E1616 R1624 | E1616-H1620 PolarHBondContact O-CD2 3.36Å; E1616-H1620 PolarHBondContact O-N 3.04Å; H1620-R1624 WeakPolarHBondContact O-CB 3.39Å; H1620-R1624 PolarHBondContact O-N 2.96Å |
| 1621 | L | 73.5 | Confident | 76 | Confident | 77 Ų | 77 | 103.1 Ų | 103.1 | 40% | 0.403 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.1 | -35.8 | -177.3 | -171.6 | 145.4 | 0 | 0 | 0 | 112.4 | R1617 S1619 K1625 | R1617-L1621 WeakPolarHBondContact O-CB 3.13Å; R1617-L1621 PolarHBondContact O-N 2.86Å; S1619-L1621 PolarHBondContact O-N 2.91Å; L1621-K1625 HydrophobicContact CD2-CD 3.72Å; L1621-K1625 HydrophobicContact CD2-CG 4.37Å; L1621-K1625 HydrophobicContact CG-CD 4.11Å; L1621-K1625 HydrophobicContact CG-CG 4.36Å; L1621-K1625 WeakPolarHBondContact O-CB 3.45Å; L1621-K1625 WeakPolarHBondContact O-CG 3.44Å; L1621-K1625 PolarHBondContact O-N 2.84Å |
| 1622 | N | 73.4 | Confident | 76.1 | Confident | 85 Ų | 85 | 100.1 Ų | 100.1 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.4 | -48.4 | 175.4 | -73.9 | -30.9 | 0 | 0 | 0 | 111.6 | A1618 S1619 K1626 | A1618-N1622 WeakPolarHBondContact O-CB 3.39Å; A1618-N1622 PolarHBondContact O-N 3.45Å; A1618-N1622 PolarHBondContact O-ND2 3.03Å; S1619-N1622 PolarHBondContact O-N 2.85Å; N1622-K1626 WeakPolarHBondContact O-CB 3.33Å; N1622-K1626 PolarHBondContact O-N 2.69Å |
| 1623 | V | 74.8 | Confident | 76.1 | Confident | 81 Ų | 81 | 97.9 Ų | 97.9 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.6 | -50.6 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | S1619 K1626 L1627 | S1619-V1623 WeakPolarHBondContact O-CB 3.39Å; S1619-V1623 WeakPolarHBondContact O-CG2 3.41Å; S1619-V1623 PolarHBondContact O-N 3.4Å; V1623-K1626 PolarHBondContact O-N 2.78Å; V1623-L1627 HydrophobicContact CG1-CD1 3.79Å; V1623-L1627 HydrophobicContact CG1-CG 4.46Å; V1623-L1627 WeakPolarHBondContact O-CB 3.44Å; V1623-L1627 WeakPolarHBondContact O-CG 3.37Å; V1623-L1627 PolarHBondContact O-N 2.76Å |
| 1624 | R | 75.2 | Confident | 76.1 | Confident | 156 Ų | 156 | 98.7 Ų | 98.7 | 59% | 0.589 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.8 | -52.6 | -177 | -155.6 | -159.1 | 79.6 | -179.7 | 18.5 | 111.7 | H1620 K1626 L1627 E1628 | H1620-R1624 WeakPolarHBondContact O-CB 3.39Å; H1620-R1624 PolarHBondContact O-N 2.96Å; R1624-K1626 VanDerWaalsContact C-N 3.29Å; R1624-K1626 PolarHBondContact O-N 3.15Å; R1624-L1627 PolarHBondContact O-N 2.65Å; R1624-E1628 HydrophobicContact CG-CG 4.3Å; R1624-E1628 IonicContact CZ-OE1 3.78Å; R1624-E1628 VanDerWaalsContact CZ-OE1 3.27Å; R1624-E1628 IonicContact CZ-OE2 2.67Å; R1624-E1628 IonicContact NE-OE1 3.35Å; R1624-E1628 PolarHBondContact NE-OE1 2.73Å; R1624-E1628 IonicContact NE-OE2 2.67Å; R1624-E1628 PolarHBondContact NE-OE2 3.11Å; R1624-E1628 IonicContact NH2-OE1 2.6Å; R1624-E1628 PolarHBondContact NH2-OE1 2.65Å; R1624-E1628 IonicContact NH2-OE2 3.63Å; R1624-E1628 PolarHBondContact NH2-OE2 3.1Å; R1624-E1628 VanDerWaalsContact O-CB 3.29Å; R1624-E1628 WeakPolarHBondContact O-CB 3.46Å; R1624-E1628 WeakPolarHBondContact O-CG 3.49Å; R1624-E1628 PolarHBondContact O-N 3.35Å |
| 1625 | K | 74.9 | Confident | 76.3 | Confident | 111 Ų | 111 | 95.5 Ų | 95.5 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 179 | -73.9 | -170.9 | 179.1 | -176.6 | 0 | 112.5 | L1621 T1629 | L1621-K1625 HydrophobicContact CD2-CD 3.72Å; L1621-K1625 HydrophobicContact CD2-CG 4.37Å; L1621-K1625 HydrophobicContact CG-CD 4.11Å; L1621-K1625 HydrophobicContact CG-CG 4.36Å; L1621-K1625 WeakPolarHBondContact O-CB 3.45Å; L1621-K1625 WeakPolarHBondContact O-CG 3.44Å; L1621-K1625 PolarHBondContact O-N 2.84Å; K1625-T1629 VanDerWaalsContact O-CB 3.24Å; K1625-T1629 WeakPolarHBondContact O-CB 3.42Å; K1625-T1629 PolarHBondContact O-N 3.47Å; K1625-T1629 PolarHBondContact O-OG1 3.35Å |
| 1626 | K | 73.4 | Confident | 76.4 | Confident | 95 Ų | 95 | 94.8 Ų | 94.8 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -51.1 | 177 | -176.6 | -167.5 | 167.5 | -160.5 | 0 | 110.5 | S649 N1622 V1623 R1624 T1629 D1630 | S649-K1626 WeakPolarHBondContact OG-CE 3.48Å; S649-K1626 PolarHBondContact OG-NZ 3.44Å; N1622-K1626 WeakPolarHBondContact O-CB 3.33Å; N1622-K1626 PolarHBondContact O-N 2.69Å; V1623-K1626 PolarHBondContact O-N 2.78Å; R1624-K1626 VanDerWaalsContact C-N 3.29Å; R1624-K1626 PolarHBondContact O-N 3.15Å; K1626-T1629 PolarHBondContact O-N 2.73Å; K1626-D1630 VanDerWaalsContact CE-OD2 3.23Å; K1626-D1630 WeakPolarHBondContact CE-OD2 3.44Å; K1626-D1630 WeakPolarHBondContact CG-OD2 3.4Å; K1626-D1630 WeakPolarHBondContact O-CB 3.35Å; K1626-D1630 PolarHBondContact O-N 2.89Å |
| 1627 | L | 76.6 | Confident | 76.5 | Confident | 108 Ų | 108 | 95 Ų | 95 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.7 | -42 | 179.3 | -68 | 175.1 | 0 | 0 | 0 | 112 | V1623 R1624 T1629 L1631 | V1623-L1627 HydrophobicContact CG1-CD1 3.79Å; V1623-L1627 HydrophobicContact CG1-CG 4.46Å; V1623-L1627 WeakPolarHBondContact O-CB 3.44Å; V1623-L1627 WeakPolarHBondContact O-CG 3.37Å; V1623-L1627 PolarHBondContact O-N 2.76Å; R1624-L1627 PolarHBondContact O-N 2.65Å; L1627-T1629 VanDerWaalsContact C-N 3.34Å; L1627-T1629 PolarHBondContact O-N 3.3Å; L1627-L1631 WeakPolarHBondContact O-CB 3.37Å; L1627-L1631 PolarHBondContact O-N 3.21Å |
| 1628 | E | 78 | Confident | 76.7 | Confident | 90 Ų | 90 | 92.2 Ų | 92.2 | 42% | 0.421 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.1 | -45.3 | 172.7 | -73.4 | 170.4 | 145 | 0 | 0 | 111.3 | R1624 A1632 | R1624-E1628 HydrophobicContact CG-CG 4.3Å; R1624-E1628 IonicContact CZ-OE1 3.78Å; R1624-E1628 VanDerWaalsContact CZ-OE1 3.27Å; R1624-E1628 IonicContact CZ-OE2 2.67Å; R1624-E1628 IonicContact NE-OE1 3.35Å; R1624-E1628 PolarHBondContact NE-OE1 2.73Å; R1624-E1628 IonicContact NE-OE2 2.67Å; R1624-E1628 PolarHBondContact NE-OE2 3.11Å; R1624-E1628 IonicContact NH2-OE1 2.6Å; R1624-E1628 PolarHBondContact NH2-OE1 2.65Å; R1624-E1628 IonicContact NH2-OE2 3.63Å; R1624-E1628 PolarHBondContact NH2-OE2 3.1Å; R1624-E1628 VanDerWaalsContact O-CB 3.29Å; R1624-E1628 WeakPolarHBondContact O-CB 3.46Å; R1624-E1628 WeakPolarHBondContact O-CG 3.49Å; R1624-E1628 PolarHBondContact O-N 3.35Å; E1628-A1632 VanDerWaalsContact O-CB 3.25Å; E1628-A1632 WeakPolarHBondContact O-CB 3.24Å; E1628-A1632 PolarHBondContact O-N 2.62Å |
| 1629 | T | 76.4 | Confident | 77 | Confident | 84 Ų | 84 | 94.7 Ų | 94.7 | 52% | 0.515 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.7 | -48 | -178.7 | -52.1 | 0 | 0 | 0 | 0 | 112 | K1625 K1626 L1627 L1631 A1632 D1633 | K1625-T1629 VanDerWaalsContact O-CB 3.24Å; K1625-T1629 WeakPolarHBondContact O-CB 3.42Å; K1625-T1629 PolarHBondContact O-N 3.47Å; K1625-T1629 PolarHBondContact O-OG1 3.35Å; K1626-T1629 PolarHBondContact O-N 2.73Å; L1627-T1629 VanDerWaalsContact C-N 3.34Å; L1627-T1629 PolarHBondContact O-N 3.3Å; T1629-L1631 VanDerWaalsContact C-N 3.32Å; T1629-L1631 PolarHBondContact O-N 2.69Å; T1629-A1632 PolarHBondContact O-N 2.84Å; T1629-D1633 WeakPolarHBondContact O-CB 3.45Å; T1629-D1633 PolarHBondContact O-N 3.39Å |
| 1630 | D | 77.5 | Confident | 77.2 | Confident | 68 Ų | 68 | 95.8 Ų | 95.8 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 179.2 | -77.1 | -26.4 | 0 | 0 | 0 | 110.7 | K1626 I1634 | K1626-D1630 VanDerWaalsContact CE-OD2 3.23Å; K1626-D1630 WeakPolarHBondContact CE-OD2 3.44Å; K1626-D1630 WeakPolarHBondContact CG-OD2 3.4Å; K1626-D1630 WeakPolarHBondContact O-CB 3.35Å; K1626-D1630 PolarHBondContact O-N 2.89Å; D1630-I1634 WeakPolarHBondContact O-CB 3.31Å; D1630-I1634 WeakPolarHBondContact O-CD1 3.3Å; D1630-I1634 WeakPolarHBondContact O-CG1 3.42Å; D1630-I1634 PolarHBondContact O-N 3.47Å |
| 1631 | L | 78.1 | Confident | 77.6 | Confident | 118 Ų | 118 | 91.8 Ų | 91.8 | 62% | 0.618 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -67.5 | -39.8 | 175.2 | -171.8 | 151.6 | 0 | 0 | 0 | 111.7 | L1627 T1629 S1635 | L1627-L1631 WeakPolarHBondContact O-CB 3.37Å; L1627-L1631 PolarHBondContact O-N 3.21Å; T1629-L1631 VanDerWaalsContact C-N 3.32Å; T1629-L1631 PolarHBondContact O-N 2.69Å; L1631-S1635 WeakPolarHBondContact O-CB 3.39Å; L1631-S1635 PolarHBondContact O-N 2.72Å; L1631-S1635 PolarHBondContact O-OG 3.16Å |
| 1632 | A | 79.8 | Confident | 78 | Confident | 53 Ų | 53 | 91.7 Ų | 91.7 | 44% | 0.438 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1628 T1629 I1634 S1635 Q1636 | E1628-A1632 VanDerWaalsContact O-CB 3.25Å; E1628-A1632 WeakPolarHBondContact O-CB 3.24Å; E1628-A1632 PolarHBondContact O-N 2.62Å; T1629-A1632 PolarHBondContact O-N 2.84Å; A1632-I1634 VanDerWaalsContact C-N 3.34Å; A1632-I1634 PolarHBondContact O-N 2.9Å; A1632-S1635 PolarHBondContact O-N 3.02Å; A1632-Q1636 VanDerWaalsContact O-CB 3.31Å; A1632-Q1636 WeakPolarHBondContact O-CB 3.3Å; A1632-Q1636 PolarHBondContact O-N 2.98Å |
| 1633 | D | 77 | Confident | 78.4 | Confident | 50 Ų | 50 | 94 Ų | 94 | 27% | 0.267 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 177.8 | -137.6 | 64.1 | 0 | 0 | 0 | 110.2 | R651 T1629 R1637 | R651-D1633 IonicContact NH2-OD2 2.7Å; R651-D1633 PolarHBondContact NH2-OD2 2.91Å; T1629-D1633 WeakPolarHBondContact O-CB 3.45Å; T1629-D1633 PolarHBondContact O-N 3.39Å; D1633-R1637 WeakPolarHBondContact O-CB 3.48Å; D1633-R1637 WeakPolarHBondContact O-CD 3.42Å; D1633-R1637 WeakPolarHBondContact O-CG 3.47Å; D1633-R1637 PolarHBondContact O-N 3.22Å; D1633-R1637 VanDerWaalsContact O-N 3.1Å; D1633-R1637 PolarHBondContact O-NE 2.86Å; D1633-R1637 IonicContact OD2-CZ 2.9Å; D1633-R1637 IonicContact OD2-NE 2.65Å; D1633-R1637 PolarHBondContact OD2-NE 2.75Å; D1633-R1637 IonicContact OD2-NH2 2.79Å; D1633-R1637 PolarHBondContact OD2-NH2 3.12Å |
| 1634 | I | 78 | Confident | 78.7 | Confident | 109 Ų | 109 | 95.8 Ų | 95.8 | 56% | 0.559 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.9 | -43.3 | 176.8 | -69.9 | 167.2 | 0 | 0 | 0 | 111.4 | D1630 A1632 R1637 L1638 | D1630-I1634 WeakPolarHBondContact O-CB 3.31Å; D1630-I1634 WeakPolarHBondContact O-CD1 3.3Å; D1630-I1634 WeakPolarHBondContact O-CG1 3.42Å; D1630-I1634 PolarHBondContact O-N 3.47Å; A1632-I1634 VanDerWaalsContact C-N 3.34Å; A1632-I1634 PolarHBondContact O-N 2.9Å; I1634-R1637 PolarHBondContact O-N 2.88Å; I1634-L1638 WeakPolarHBondContact O-CB 3.24Å; I1634-L1638 PolarHBondContact O-N 2.92Å |
| 1635 | S | 80.9 | Confident | 79 | Confident | 49 Ų | 49 | 95.2 Ų | 95.2 | 34% | 0.343 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 179 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | L1631 A1632 R1637 L1638 E1639 | L1631-S1635 WeakPolarHBondContact O-CB 3.39Å; L1631-S1635 PolarHBondContact O-N 2.72Å; L1631-S1635 PolarHBondContact O-OG 3.16Å; A1632-S1635 PolarHBondContact O-N 3.02Å; S1635-R1637 VanDerWaalsContact C-N 3.34Å; S1635-R1637 PolarHBondContact O-N 3.35Å; S1635-L1638 PolarHBondContact O-N 3.3Å; S1635-E1639 WeakPolarHBondContact O-CB 3.28Å; S1635-E1639 PolarHBondContact O-N 3.04Å |
| 1636 | Q | 79.8 | Confident | 79.4 | Confident | 127 Ų | 127 | 94.3 Ų | 94.3 | 59% | 0.593 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.1 | -38.2 | 175.9 | -170.4 | -178 | 16.1 | 0 | 0 | 111.9 | A1632 L1640 | A1632-Q1636 VanDerWaalsContact O-CB 3.31Å; A1632-Q1636 WeakPolarHBondContact O-CB 3.3Å; A1632-Q1636 PolarHBondContact O-N 2.98Å; Q1636-L1640 VanDerWaalsContact O-CB 3.26Å; Q1636-L1640 WeakPolarHBondContact O-CB 3.44Å; Q1636-L1640 PolarHBondContact O-N 2.93Å |
| 1637 | R | 78.7 | Confident | 79.8 | Confident | 126 Ų | 126 | 95.1 Ų | 95.1 | 48% | 0.475 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 172.9 | -70.8 | 159.1 | -168.5 | -106 | -6.2 | 112.1 | D1633 I1634 S1635 L1640 A1641 | D1633-R1637 WeakPolarHBondContact O-CB 3.48Å; D1633-R1637 WeakPolarHBondContact O-CD 3.42Å; D1633-R1637 WeakPolarHBondContact O-CG 3.47Å; D1633-R1637 PolarHBondContact O-N 3.22Å; D1633-R1637 VanDerWaalsContact O-N 3.1Å; D1633-R1637 PolarHBondContact O-NE 2.86Å; D1633-R1637 IonicContact OD2-CZ 2.9Å; D1633-R1637 IonicContact OD2-NE 2.65Å; D1633-R1637 PolarHBondContact OD2-NE 2.75Å; D1633-R1637 IonicContact OD2-NH2 2.79Å; D1633-R1637 PolarHBondContact OD2-NH2 3.12Å; I1634-R1637 PolarHBondContact O-N 2.88Å; S1635-R1637 VanDerWaalsContact C-N 3.34Å; S1635-R1637 PolarHBondContact O-N 3.35Å; R1637-L1640 PolarHBondContact O-N 3.12Å; R1637-A1641 VanDerWaalsContact O-CB 3.28Å; R1637-A1641 WeakPolarHBondContact O-CB 3.47Å; R1637-A1641 PolarHBondContact O-N 3.42Å |
| 1638 | L | 80.6 | Confident | 80 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 178.5 | -176.8 | 60.8 | 0 | 0 | 0 | 111 | I1634 S1635 N1642 | I1634-L1638 WeakPolarHBondContact O-CB 3.24Å; I1634-L1638 PolarHBondContact O-N 2.92Å; S1635-L1638 PolarHBondContact O-N 3.3Å; L1638-N1642 WeakPolarHBondContact O-CB 3.27Å; L1638-N1642 PolarHBondContact O-N 2.98Å; L1638-N1642 PolarHBondContact O-ND2 3.21Å |
| 1639 | E | 81.4 | Confident | 80.2 | Confident | 97 Ų | 97 | 91.6 Ų | 91.6 | 45% | 0.453 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 169.5 | -82 | -169.5 | -159.1 | 0 | 0 | 112 | S1635 N1642 R1643 | S1635-E1639 WeakPolarHBondContact O-CB 3.28Å; S1635-E1639 PolarHBondContact O-N 3.04Å; E1639-N1642 PolarHBondContact O-N 3.33Å; E1639-R1643 WeakPolarHBondContact O-CB 2.87Å; E1639-R1643 WeakPolarHBondContact O-CG 3.29Å; E1639-R1643 PolarHBondContact O-N 2.7Å; E1639-R1643 IonicContact OE2-CZ 2.62Å; E1639-R1643 VanDerWaalsContact OE2-CZ 3.26Å; E1639-R1643 IonicContact OE2-NH1 3Å; E1639-R1643 PolarHBondContact OE2-NH1 3.12Å; E1639-R1643 VanDerWaalsContact OE2-NH1 3.09Å; E1639-R1643 IonicContact OE2-NH2 2.59Å; E1639-R1643 PolarHBondContact OE2-NH2 2.94Å |
| 1640 | L | 79.7 | Confident | 80.4 | Confident | 92 Ų | 92 | 93.5 Ų | 93.5 | 48% | 0.482 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.2 | -40.6 | -177.7 | -173.2 | 145.5 | 0 | 0 | 0 | 111.7 | Q1636 R1637 R1643 Q1644 | Q1636-L1640 VanDerWaalsContact O-CB 3.26Å; Q1636-L1640 WeakPolarHBondContact O-CB 3.44Å; Q1636-L1640 PolarHBondContact O-N 2.93Å; R1637-L1640 PolarHBondContact O-N 3.12Å; L1640-R1643 PolarHBondContact O-N 2.66Å; L1640-Q1644 HydrophobicContact CD2-CG 4.37Å; L1640-Q1644 WeakPolarHBondContact O-CB 3.42Å; L1640-Q1644 WeakPolarHBondContact O-CG 3.48Å; L1640-Q1644 PolarHBondContact O-N 3.25Å |
| 1641 | A | 81.8 | Confident | 80.5 | Confident | 48 Ų | 48 | 95.7 Ų | 95.7 | 40% | 0.397 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1637 Q1644 K1645 | R1637-A1641 VanDerWaalsContact O-CB 3.28Å; R1637-A1641 WeakPolarHBondContact O-CB 3.47Å; R1637-A1641 PolarHBondContact O-N 3.42Å; A1641-Q1644 PolarHBondContact O-N 3.01Å; A1641-K1645 WeakPolarHBondContact O-CB 3.42Å; A1641-K1645 PolarHBondContact O-N 3.24Å |
| 1642 | N | 81.7 | Confident | 80.5 | Confident | 75 Ų | 75 | 94.6 Ų | 94.6 | 40% | 0.401 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 174.2 | -76.8 | -25.3 | 0 | 0 | 0 | 111.8 | L1638 E1639 K1645 E1646 | L1638-N1642 WeakPolarHBondContact O-CB 3.27Å; L1638-N1642 PolarHBondContact O-N 2.98Å; L1638-N1642 PolarHBondContact O-ND2 3.21Å; E1639-N1642 PolarHBondContact O-N 3.33Å; N1642-K1645 PolarHBondContact O-N 3.15Å; N1642-E1646 WeakPolarHBondContact O-CB 3.45Å; N1642-E1646 WeakPolarHBondContact O-CG 3.48Å; N1642-E1646 PolarHBondContact O-N 3.5Å |
| 1643 | R | 81.4 | Confident | 80.5 | Confident | 134 Ų | 134 | 98.6 Ų | 98.6 | 51% | 0.506 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 172.2 | -75.7 | 179.3 | -171 | 123.7 | 16.1 | 111.7 | E1639 L1640 K1645 E1646 E1647 | E1639-R1643 WeakPolarHBondContact O-CB 2.87Å; E1639-R1643 WeakPolarHBondContact O-CG 3.29Å; E1639-R1643 PolarHBondContact O-N 2.7Å; E1639-R1643 IonicContact OE2-CZ 2.62Å; E1639-R1643 VanDerWaalsContact OE2-CZ 3.26Å; E1639-R1643 IonicContact OE2-NH1 3Å; E1639-R1643 PolarHBondContact OE2-NH1 3.12Å; E1639-R1643 VanDerWaalsContact OE2-NH1 3.09Å; E1639-R1643 IonicContact OE2-NH2 2.59Å; E1639-R1643 PolarHBondContact OE2-NH2 2.94Å; L1640-R1643 PolarHBondContact O-N 2.66Å; R1643-K1645 VanDerWaalsContact C-N 3.34Å; R1643-K1645 PolarHBondContact O-N 3.21Å; R1643-E1646 PolarHBondContact O-N 2.88Å; R1643-E1647 WeakPolarHBondContact O-CB 3.31Å; R1643-E1647 WeakPolarHBondContact O-CG 3.43Å; R1643-E1647 PolarHBondContact O-N 3.42Å |
| 1644 | Q | 81.3 | Confident | 80.6 | Confident | 119 Ų | 119 | 102.6 Ų | 102.6 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.9 | -40.2 | 175 | -75.9 | 177 | -21.8 | 0 | 0 | 112.2 | L1640 A1641 A1648 | L1640-Q1644 HydrophobicContact CD2-CG 4.37Å; L1640-Q1644 WeakPolarHBondContact O-CB 3.42Å; L1640-Q1644 WeakPolarHBondContact O-CG 3.48Å; L1640-Q1644 PolarHBondContact O-N 3.25Å; A1641-Q1644 PolarHBondContact O-N 3.01Å; Q1644-A1648 VanDerWaalsContact O-CB 3.27Å; Q1644-A1648 WeakPolarHBondContact O-CB 3.16Å; Q1644-A1648 PolarHBondContact O-N 3.49Å |
| 1645 | K | 82.9 | Confident | 80.5 | Confident | 144 Ų | 144 | 105.1 Ų | 105.1 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.1 | -46.7 | 172.7 | 179.4 | -175.8 | 175.2 | -176.8 | 0 | 111.7 | A1641 N1642 R1643 A1648 V1649 | A1641-K1645 WeakPolarHBondContact O-CB 3.42Å; A1641-K1645 PolarHBondContact O-N 3.24Å; N1642-K1645 PolarHBondContact O-N 3.15Å; R1643-K1645 VanDerWaalsContact C-N 3.34Å; R1643-K1645 PolarHBondContact O-N 3.21Å; K1645-A1648 PolarHBondContact O-N 3.02Å; K1645-V1649 WeakPolarHBondContact O-CB 3.48Å; K1645-V1649 VanDerWaalsContact O-CG2 3.3Å; K1645-V1649 WeakPolarHBondContact O-CG2 3.18Å; K1645-V1649 PolarHBondContact O-N 3.34Å |
| 1646 | E | 82.3 | Confident | 80.3 | Confident | 92 Ų | 92 | 108.6 Ų | 108.6 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 176.2 | -82.4 | -174.6 | -134.8 | 0 | 0 | 112 | N1642 R1643 V1649 K1650 | N1642-E1646 WeakPolarHBondContact O-CB 3.45Å; N1642-E1646 WeakPolarHBondContact O-CG 3.48Å; N1642-E1646 PolarHBondContact O-N 3.5Å; R1643-E1646 PolarHBondContact O-N 2.88Å; E1646-V1649 PolarHBondContact O-N 3.01Å; E1646-K1650 HydrophobicContact CB-CD 4.46Å; E1646-K1650 WeakPolarHBondContact O-CB 3.2Å; E1646-K1650 WeakPolarHBondContact O-CD 3.28Å; E1646-K1650 WeakPolarHBondContact O-CG 3.49Å; E1646-K1650 PolarHBondContact O-N 3.19Å; E1646-K1650 IonicContact OE2-NZ 3.64Å; E1646-K1650 PolarHBondContact OE2-NZ 2.87Å |
| 1647 | E | 82 | Confident | 80.1 | Confident | 112 Ų | 112 | 106.7 Ų | 106.7 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 177.6 | -76.4 | 174.3 | -168.5 | 0 | 0 | 111.2 | R1643 K1650 Q1651 | R1643-E1647 WeakPolarHBondContact O-CB 3.31Å; R1643-E1647 WeakPolarHBondContact O-CG 3.43Å; R1643-E1647 PolarHBondContact O-N 3.42Å; E1647-K1650 PolarHBondContact O-N 2.93Å; E1647-Q1651 WeakPolarHBondContact O-CB 3.32Å; E1647-Q1651 VanDerWaalsContact O-CG 3.3Å; E1647-Q1651 WeakPolarHBondContact O-CG 3.35Å; E1647-Q1651 PolarHBondContact O-N 3.46Å |
| 1648 | A | 81.6 | Confident | 80 | Confident | 56 Ų | 56 | 103 Ų | 103 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q1644 K1645 Q1651 L1652 | Q1644-A1648 VanDerWaalsContact O-CB 3.27Å; Q1644-A1648 WeakPolarHBondContact O-CB 3.16Å; Q1644-A1648 PolarHBondContact O-N 3.49Å; K1645-A1648 PolarHBondContact O-N 3.02Å; A1648-Q1651 PolarHBondContact O-N 3.22Å; A1648-L1652 WeakPolarHBondContact O-CB 3.4Å; A1648-L1652 PolarHBondContact O-N 3.02Å |
| 1649 | V | 81.7 | Confident | 79.6 | Confident | 68 Ų | 68 | 101.8 Ų | 101.8 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 175.4 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | K1645 E1646 L1652 K1653 | K1645-V1649 WeakPolarHBondContact O-CB 3.48Å; K1645-V1649 VanDerWaalsContact O-CG2 3.3Å; K1645-V1649 WeakPolarHBondContact O-CG2 3.18Å; K1645-V1649 PolarHBondContact O-N 3.34Å; E1646-V1649 PolarHBondContact O-N 3.01Å; V1649-L1652 PolarHBondContact O-N 3.11Å; V1649-K1653 HydrophobicContact CG1-CD 4.36Å; V1649-K1653 WeakPolarHBondContact O-CB 3.48Å; V1649-K1653 WeakPolarHBondContact O-CG 3.33Å; V1649-K1653 PolarHBondContact O-N 3.35Å |
| 1650 | K | 80.5 | Confident | 79.4 | Confident | 124 Ų | 124 | 98.1 Ų | 98.1 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.2 | -38 | 175.1 | -75.4 | 160.8 | 179.7 | 165.5 | 0 | 111.3 | E1646 E1647 K1654 | E1646-K1650 HydrophobicContact CB-CD 4.46Å; E1646-K1650 WeakPolarHBondContact O-CB 3.2Å; E1646-K1650 WeakPolarHBondContact O-CD 3.28Å; E1646-K1650 WeakPolarHBondContact O-CG 3.49Å; E1646-K1650 PolarHBondContact O-N 3.19Å; E1646-K1650 IonicContact OE2-NZ 3.64Å; E1646-K1650 PolarHBondContact OE2-NZ 2.87Å; E1647-K1650 PolarHBondContact O-N 2.93Å; K1650-K1654 VanDerWaalsContact O-CB 3.28Å; K1650-K1654 WeakPolarHBondContact O-CB 3.49Å; K1650-K1654 PolarHBondContact O-N 3.35Å |
| 1651 | Q | 80.3 | Confident | 79.1 | Confident | 113 Ų | 113 | 94.7 Ų | 94.7 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67 | -45.8 | 171.9 | -75.4 | -178.4 | 21.8 | 0 | 0 | 111.6 | E1647 A1648 K1654 Y1655 | E1647-Q1651 WeakPolarHBondContact O-CB 3.32Å; E1647-Q1651 VanDerWaalsContact O-CG 3.3Å; E1647-Q1651 WeakPolarHBondContact O-CG 3.35Å; E1647-Q1651 PolarHBondContact O-N 3.46Å; A1648-Q1651 PolarHBondContact O-N 3.22Å; Q1651-K1654 CarbonylContact O-C 3.55Å; Q1651-K1654 WeakPolarHBondContact O-CA 2.75Å; Q1651-K1654 WeakPolarHBondContact O-CB 3.4Å; Q1651-K1654 PolarHBondContact O-N 2.72Å; Q1651-K1654 VanDerWaalsContact O-N 3.08Å; Q1651-Y1655 HydrophobicContact CB-CE2 4.32Å; Q1651-Y1655 WeakPolarHBondContact O-CD2 3.19Å; Q1651-Y1655 PolarHBondContact O-N 3.12Å |
| 1652 | L | 77.5 | Confident | 78.7 | Confident | 95 Ų | 95 | 96.6 Ų | 96.6 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 177.5 | -174.2 | 143.8 | 0 | 0 | 0 | 111.5 | A1648 V1649 K1654 Y1655 Q1656 | A1648-L1652 WeakPolarHBondContact O-CB 3.4Å; A1648-L1652 PolarHBondContact O-N 3.02Å; V1649-L1652 PolarHBondContact O-N 3.11Å; L1652-K1654 VanDerWaalsContact C-N 3.31Å; L1652-K1654 PolarHBondContact O-N 3.47Å; L1652-Y1655 PolarHBondContact O-N 3.29Å; L1652-Q1656 HydrophobicContact CD2-CG 4.4Å; L1652-Q1656 WeakPolarHBondContact O-CB 3.24Å; L1652-Q1656 WeakPolarHBondContact O-CG 3.39Å; L1652-Q1656 PolarHBondContact O-N 3.48Å |
| 1653 | K | 80.1 | Confident | 78.3 | Confident | 137 Ų | 137 | 97.9 Ų | 97.9 | 60% | 0.596 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61 | -36.6 | 170.6 | -76.3 | -174.9 | 176.1 | -171.3 | 0 | 112.5 | V1649 S1657 | V1649-K1653 HydrophobicContact CG1-CD 4.36Å; V1649-K1653 WeakPolarHBondContact O-CB 3.48Å; V1649-K1653 WeakPolarHBondContact O-CG 3.33Å; V1649-K1653 PolarHBondContact O-N 3.35Å; K1653-S1657 WeakPolarHBondContact O-CB 3.18Å; K1653-S1657 PolarHBondContact O-N 2.79Å |
| 1654 | K | 78.9 | Confident | 78 | Confident | 135 Ų | 135 | 99.5 Ų | 99.5 | 59% | 0.587 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.6 | -43 | 175.1 | -173.8 | 176.9 | -178.5 | 179.1 | 0 | 111.6 | K1650 Q1651 L1652 S1657 V1658 | K1650-K1654 VanDerWaalsContact O-CB 3.28Å; K1650-K1654 WeakPolarHBondContact O-CB 3.49Å; K1650-K1654 PolarHBondContact O-N 3.35Å; Q1651-K1654 CarbonylContact O-C 3.55Å; Q1651-K1654 WeakPolarHBondContact O-CA 2.75Å; Q1651-K1654 WeakPolarHBondContact O-CB 3.4Å; Q1651-K1654 PolarHBondContact O-N 2.72Å; Q1651-K1654 VanDerWaalsContact O-N 3.08Å; L1652-K1654 VanDerWaalsContact C-N 3.31Å; L1652-K1654 PolarHBondContact O-N 3.47Å; K1654-S1657 PolarHBondContact O-N 3.48Å; K1654-V1658 HydrophobicContact CG-CG2 4.44Å; K1654-V1658 WeakPolarHBondContact O-CB 3.18Å; K1654-V1658 VanDerWaalsContact O-CG2 3.29Å; K1654-V1658 WeakPolarHBondContact O-CG2 3.27Å; K1654-V1658 PolarHBondContact O-N 2.85Å |
| 1655 | Y | 75.3 | Confident | 77.6 | Confident | 161 Ų | 161 | 99.4 Ų | 99.4 | 63% | 0.631 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.4 | -47.6 | 174.8 | -71 | -60 | 0 | 0 | 0 | 111.1 | Q1651 L1652 S1657 V1658 T1659 | Q1651-Y1655 HydrophobicContact CB-CE2 4.32Å; Q1651-Y1655 WeakPolarHBondContact O-CD2 3.19Å; Q1651-Y1655 PolarHBondContact O-N 3.12Å; L1652-Y1655 PolarHBondContact O-N 3.29Å; Y1655-S1657 VanDerWaalsContact C-N 3.31Å; Y1655-S1657 PolarHBondContact O-N 2.98Å; Y1655-V1658 PolarHBondContact O-N 2.9Å; Y1655-V1658 VanDerWaalsContact O-N 3.12Å; Y1655-T1659 PolarHBondContact O-N 3.48Å; Y1655-T1659 PolarHBondContact O-OG1 2.73Å |
| 1656 | Q | 76.8 | Confident | 77.1 | Confident | 123 Ų | 123 | 98.2 Ų | 98.2 | 58% | 0.575 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.2 | -41.7 | 173.3 | -72.6 | 175.7 | -28.7 | 0 | 0 | 112.4 | L1652 G1660 | L1652-Q1656 HydrophobicContact CD2-CG 4.4Å; L1652-Q1656 WeakPolarHBondContact O-CB 3.24Å; L1652-Q1656 WeakPolarHBondContact O-CG 3.39Å; L1652-Q1656 PolarHBondContact O-N 3.48Å; Q1656-G1660 PolarHBondContact O-N 2.83Å |
| 1657 | S | 76.3 | Confident | 76.8 | Confident | 86 Ų | 86 | 98.8 Ų | 98.8 | 60% | 0.601 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -71 | -27.3 | 177.3 | -172.5 | 0 | 0 | 0 | 0 | 113.5 | K1653 K1654 Y1655 G1661 | K1653-S1657 WeakPolarHBondContact O-CB 3.18Å; K1653-S1657 PolarHBondContact O-N 2.79Å; K1654-S1657 PolarHBondContact O-N 3.48Å; Y1655-S1657 VanDerWaalsContact C-N 3.31Å; Y1655-S1657 PolarHBondContact O-N 2.98Å; S1657-G1661 WeakPolarHBondContact O-CA 3.44Å; S1657-G1661 PolarHBondContact O-N 3.23Å |
| 1658 | V | 76.7 | Confident | 76.4 | Confident | 49 Ų | 49 | 97.2 Ų | 97.2 | 30% | 0.297 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -79.5 | -42.3 | 174.4 | 168.4 | 0 | 0 | 0 | 0 | 110.3 | K1654 Y1655 G1661 I1662 | K1654-V1658 HydrophobicContact CG-CG2 4.44Å; K1654-V1658 WeakPolarHBondContact O-CB 3.18Å; K1654-V1658 VanDerWaalsContact O-CG2 3.29Å; K1654-V1658 WeakPolarHBondContact O-CG2 3.27Å; K1654-V1658 PolarHBondContact O-N 2.85Å; Y1655-V1658 PolarHBondContact O-N 2.9Å; Y1655-V1658 VanDerWaalsContact O-N 3.12Å; V1658-G1661 PolarHBondContact O-N 2.7Å; V1658-I1662 HydrophobicContact CG1-CD1 3.88Å; V1658-I1662 VanDerWaalsContact O-CG1 3.31Å; V1658-I1662 WeakPolarHBondContact O-CG1 3Å; V1658-I1662 PolarHBondContact O-N 2.84Å |
| 1659 | T | 72.5 | Confident | 76.1 | Confident | 78 Ų | 78 | 97.4 Ų | 97.4 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 173.9 | -58 | 0 | 0 | 0 | 0 | 111.4 | Y1655 G1661 I1662 Q1663 | Y1655-T1659 PolarHBondContact O-N 3.48Å; Y1655-T1659 PolarHBondContact O-OG1 2.73Å; T1659-G1661 VanDerWaalsContact C-N 3.29Å; T1659-G1661 PolarHBondContact O-N 2.83Å; T1659-I1662 PolarHBondContact O-N 3.32Å; T1659-Q1663 PolarHBondContact O-N 2.92Å |
| 1660 | G | 75.3 | Confident | 75.8 | Confident | 19 Ų | 19 | 96.3 Ų | 96.3 | 20% | 0.196 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -69.7 | -24.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1656 R1664 | Q1656-G1660 PolarHBondContact O-N 2.83Å; G1660-R1664 WeakPolarHBondContact O-CG 3.43Å; G1660-R1664 PolarHBondContact O-N 2.83Å; G1660-R1664 VanDerWaalsContact O-N 3.15Å |
| 1661 | G | 74.1 | Confident | 75.6 | Confident | 20 Ų | 20 | 96.3 Ų | 96.3 | 21% | 0.206 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -67.6 | -55.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S1657 V1658 T1659 Q1663 R1664 E1665 | S1657-G1661 WeakPolarHBondContact O-CA 3.44Å; S1657-G1661 PolarHBondContact O-N 3.23Å; V1658-G1661 PolarHBondContact O-N 2.7Å; T1659-G1661 VanDerWaalsContact C-N 3.29Å; T1659-G1661 PolarHBondContact O-N 2.83Å; G1661-Q1663 VanDerWaalsContact C-N 3.29Å; G1661-Q1663 PolarHBondContact O-N 2.84Å; G1661-R1664 CarbonylContact O-C 3.5Å; G1661-R1664 WeakPolarHBondContact O-CA 3.17Å; G1661-R1664 PolarHBondContact O-N 3.48Å; G1661-E1665 WeakPolarHBondContact O-CG 3.29Å; G1661-E1665 PolarHBondContact O-N 2.82Å |
| 1662 | I | 73.9 | Confident | 75.3 | Confident | 88 Ų | 88 | 93.6 Ų | 93.6 | 45% | 0.451 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.3 | -38.2 | 176.7 | -66.7 | 164.3 | 0 | 0 | 0 | 111.2 | V1658 T1659 E1665 L1666 | V1658-I1662 HydrophobicContact CG1-CD1 3.88Å; V1658-I1662 VanDerWaalsContact O-CG1 3.31Å; V1658-I1662 WeakPolarHBondContact O-CG1 3Å; V1658-I1662 PolarHBondContact O-N 2.84Å; T1659-I1662 PolarHBondContact O-N 3.32Å; I1662-E1665 PolarHBondContact O-N 3.3Å; I1662-L1666 VanDerWaalsContact O-CB 3.3Å; I1662-L1666 WeakPolarHBondContact O-CB 3.45Å; I1662-L1666 PolarHBondContact O-N 3.43Å |
| 1663 | Q | 72.6 | Confident | 75.3 | Confident | 102 Ų | 102 | 96.3 Ų | 96.3 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 172.3 | -83.6 | -177.8 | -51.3 | 0 | 0 | 112.3 | T1659 G1661 L1666 E1667 | T1659-Q1663 PolarHBondContact O-N 2.92Å; G1661-Q1663 VanDerWaalsContact C-N 3.29Å; G1661-Q1663 PolarHBondContact O-N 2.84Å; Q1663-L1666 PolarHBondContact O-N 2.84Å; Q1663-E1667 WeakPolarHBondContact O-CB 3.33Å; Q1663-E1667 WeakPolarHBondContact O-CG 3.34Å; Q1663-E1667 PolarHBondContact O-N 3.28Å |
| 1664 | R | 74.9 | Confident | 75.2 | Confident | 168 Ų | 168 | 93.2 Ų | 93.2 | 63% | 0.634 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.8 | -39.1 | 175 | -73.5 | -177.4 | -149.1 | 148 | 6.6 | 112.5 | G1660 G1661 L1666 E1667 D1668 | G1660-R1664 WeakPolarHBondContact O-CG 3.43Å; G1660-R1664 PolarHBondContact O-N 2.83Å; G1660-R1664 VanDerWaalsContact O-N 3.15Å; G1661-R1664 CarbonylContact O-C 3.5Å; G1661-R1664 WeakPolarHBondContact O-CA 3.17Å; G1661-R1664 PolarHBondContact O-N 3.48Å; R1664-L1666 VanDerWaalsContact C-N 3.27Å; R1664-L1666 PolarHBondContact O-N 3.32Å; R1664-E1667 CarbonylContact O-C 3.47Å; R1664-E1667 PolarHBondContact O-N 2.82Å; R1664-D1668 WeakPolarHBondContact O-CB 3.33Å; R1664-D1668 VanDerWaalsContact O-CG 3.31Å; R1664-D1668 PolarHBondContact O-N 2.81Å |
| 1665 | E | 73.3 | Confident | 75 | Confident | 118 Ų | 118 | 93.4 Ų | 93.4 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.5 | -35 | 174.8 | -72 | 164.2 | 171.6 | 0 | 0 | 110.8 | G1661 I1662 A1669 | G1661-E1665 WeakPolarHBondContact O-CG 3.29Å; G1661-E1665 PolarHBondContact O-N 2.82Å; I1662-E1665 PolarHBondContact O-N 3.3Å; E1665-A1669 WeakPolarHBondContact O-CB 3.48Å; E1665-A1669 PolarHBondContact O-N 3.24Å |
| 1666 | L | 73.6 | Confident | 74.9 | Confident | 118 Ų | 118 | 88.1 Ų | 88.1 | 62% | 0.618 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -71.3 | -42 | 171.9 | -158.7 | 85.1 | 0 | 0 | 0 | 112.3 | I1662 Q1663 R1664 D1668 A1670 | I1662-L1666 VanDerWaalsContact O-CB 3.3Å; I1662-L1666 WeakPolarHBondContact O-CB 3.45Å; I1662-L1666 PolarHBondContact O-N 3.43Å; Q1663-L1666 PolarHBondContact O-N 2.84Å; R1664-L1666 VanDerWaalsContact C-N 3.27Å; R1664-L1666 PolarHBondContact O-N 3.32Å; L1666-D1668 VanDerWaalsContact C-N 3.35Å; L1666-A1670 WeakPolarHBondContact O-CB 3.43Å; L1666-A1670 PolarHBondContact O-N 2.84Å |
| 1667 | E | 74.4 | Confident | 75 | Confident | 105 Ų | 105 | 85.2 Ų | 85.2 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.3 | -36 | 173.4 | -77.6 | -176.9 | -174.8 | 0 | 0 | 112.4 | Q1663 R1664 A1670 R1671 | Q1663-E1667 WeakPolarHBondContact O-CB 3.33Å; Q1663-E1667 WeakPolarHBondContact O-CG 3.34Å; Q1663-E1667 PolarHBondContact O-N 3.28Å; R1664-E1667 CarbonylContact O-C 3.47Å; R1664-E1667 PolarHBondContact O-N 2.82Å; E1667-A1670 PolarHBondContact O-N 2.81Å; E1667-R1671 VanDerWaalsContact O-CB 3.32Å; E1667-R1671 WeakPolarHBondContact O-CB 3.48Å; E1667-R1671 VanDerWaalsContact O-CG 3.29Å; E1667-R1671 WeakPolarHBondContact O-CG 3.36Å; E1667-R1671 PolarHBondContact O-N 3.27Å; E1667-R1671 IonicContact OE2-NH1 2.64Å; E1667-R1671 IonicContact OE2-NH2 3.16Å; E1667-R1671 PolarHBondContact OE2-NH2 3.05Å |
| 1668 | D | 75 | Confident | 74.9 | Confident | 79 Ų | 79 | 85.2 Ų | 85.2 | 42% | 0.422 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -82.2 | -31.7 | 179.9 | -73.4 | -26.2 | 0 | 0 | 0 | 111.5 | R1664 L1666 R1671 A1672 | R1664-D1668 WeakPolarHBondContact O-CB 3.33Å; R1664-D1668 VanDerWaalsContact O-CG 3.31Å; R1664-D1668 PolarHBondContact O-N 2.81Å; L1666-D1668 VanDerWaalsContact C-N 3.35Å; D1668-R1671 IonicContact OD1-CZ 3.58Å; D1668-R1671 IonicContact OD1-NE 2.62Å; D1668-R1671 PolarHBondContact OD1-NE 3.3Å; D1668-R1671 IonicContact OD1-NH2 3.88Å; D1668-R1671 PolarHBondContact OD1-NH2 3.35Å; D1668-A1672 WeakPolarHBondContact O-CA 3.28Å; D1668-A1672 WeakPolarHBondContact O-CB 3.33Å; D1668-A1672 PolarHBondContact O-N 3.02Å |
| 1669 | A | 74.2 | Confident | 74.8 | Confident | 60 Ų | 60 | 85.8 Ų | 85.8 | 50% | 0.496 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | E1665 A1672 R1673 | E1665-A1669 WeakPolarHBondContact O-CB 3.48Å; E1665-A1669 PolarHBondContact O-N 3.24Å; A1669-A1672 PolarHBondContact O-N 2.76Å; A1669-R1673 WeakPolarHBondContact O-CB 3.47Å; A1669-R1673 PolarHBondContact O-N 3.32Å |
| 1670 | A | 75.5 | Confident | 74.8 | Confident | 45 Ų | 45 | 84.6 Ų | 84.6 | 37% | 0.372 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.2 | -46.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1666 E1667 R1673 D1674 | L1666-A1670 WeakPolarHBondContact O-CB 3.43Å; L1666-A1670 PolarHBondContact O-N 2.84Å; E1667-A1670 PolarHBondContact O-N 2.81Å; A1670-R1673 PolarHBondContact O-N 2.84Å; A1670-D1674 WeakPolarHBondContact O-CB 3.35Å; A1670-D1674 VanDerWaalsContact O-CG 3.28Å; A1670-D1674 PolarHBondContact O-N 3.18Å |
| 1671 | R | 76.9 | Confident | 74.8 | Confident | 124 Ų | 124 | 90.7 Ų | 90.7 | 47% | 0.468 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.3 | -39 | 173.9 | -78.8 | -171.9 | -79.2 | -114.8 | -6.6 | 112.1 | E1667 D1668 D1674 Q1675 | E1667-R1671 VanDerWaalsContact O-CB 3.32Å; E1667-R1671 WeakPolarHBondContact O-CB 3.48Å; E1667-R1671 VanDerWaalsContact O-CG 3.29Å; E1667-R1671 WeakPolarHBondContact O-CG 3.36Å; E1667-R1671 PolarHBondContact O-N 3.27Å; E1667-R1671 IonicContact OE2-NH1 2.64Å; E1667-R1671 IonicContact OE2-NH2 3.16Å; E1667-R1671 PolarHBondContact OE2-NH2 3.05Å; D1668-R1671 IonicContact OD1-CZ 3.58Å; D1668-R1671 IonicContact OD1-NE 2.62Å; D1668-R1671 PolarHBondContact OD1-NE 3.3Å; D1668-R1671 IonicContact OD1-NH2 3.88Å; D1668-R1671 PolarHBondContact OD1-NH2 3.35Å; R1671-D1674 PolarHBondContact O-N 2.97Å; R1671-Q1675 VanDerWaalsContact O-CB 3.25Å; R1671-Q1675 WeakPolarHBondContact O-CB 3.28Å; R1671-Q1675 VanDerWaalsContact O-CG 3.24Å; R1671-Q1675 WeakPolarHBondContact O-CG 3.19Å; R1671-Q1675 PolarHBondContact O-N 3.1Å |
| 1672 | A | 74.8 | Confident | 74.8 | Confident | 55 Ų | 55 | 94.8 Ų | 94.8 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.2 | -36.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D1668 A1669 Q1675 A1676 | D1668-A1672 WeakPolarHBondContact O-CA 3.28Å; D1668-A1672 WeakPolarHBondContact O-CB 3.33Å; D1668-A1672 PolarHBondContact O-N 3.02Å; A1669-A1672 PolarHBondContact O-N 2.76Å; A1672-Q1675 CarbonylContact O-C 3.43Å; A1672-A1676 WeakPolarHBondContact O-CB 3.03Å; A1672-A1676 PolarHBondContact O-N 3.11Å |
| 1673 | R | 76.4 | Confident | 74.8 | Confident | 153 Ų | 153 | 96.2 Ų | 96.2 | 58% | 0.577 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.3 | -42.2 | 170.8 | -171.6 | -154.2 | 71.3 | 168.5 | -1.9 | 111 | A1669 A1670 A1676 I1677 | A1669-R1673 WeakPolarHBondContact O-CB 3.47Å; A1669-R1673 PolarHBondContact O-N 3.32Å; A1670-R1673 PolarHBondContact O-N 2.84Å; R1673-A1676 CarbonylContact O-C 3.53Å; R1673-A1676 WeakPolarHBondContact O-CB 3.44Å; R1673-A1676 PolarHBondContact O-N 2.83Å; R1673-I1677 HydrophobicContact CG-CD1 4.07Å; R1673-I1677 WeakPolarHBondContact O-CB 3.29Å; R1673-I1677 VanDerWaalsContact O-CG1 3.27Å; R1673-I1677 WeakPolarHBondContact O-CG1 3.45Å; R1673-I1677 PolarHBondContact O-N 2.82Å |
| 1674 | D | 77.2 | Confident | 74.9 | Confident | 71 Ų | 71 | 94.5 Ų | 94.5 | 38% | 0.38 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -74.3 | -32.6 | -179.8 | -70.6 | 1.4 | 0 | 0 | 0 | 111.2 | A1670 R1671 I1677 D1678 | A1670-D1674 WeakPolarHBondContact O-CB 3.35Å; A1670-D1674 VanDerWaalsContact O-CG 3.28Å; A1670-D1674 PolarHBondContact O-N 3.18Å; R1671-D1674 PolarHBondContact O-N 2.97Å; D1674-I1677 PolarHBondContact O-N 2.76Å; D1674-D1678 WeakPolarHBondContact O-CB 3.49Å; D1674-D1678 PolarHBondContact O-N 2.85Å |
| 1675 | Q | 75.9 | Confident | 74.7 | Confident | 139 Ų | 139 | 93.4 Ų | 93.4 | 65% | 0.65 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69 | -30.2 | 164.7 | -75.8 | 179.5 | 11.7 | 0 | 0 | 112.8 | R1671 A1672 S1679 | R1671-Q1675 VanDerWaalsContact O-CB 3.25Å; R1671-Q1675 WeakPolarHBondContact O-CB 3.28Å; R1671-Q1675 VanDerWaalsContact O-CG 3.24Å; R1671-Q1675 WeakPolarHBondContact O-CG 3.19Å; R1671-Q1675 PolarHBondContact O-N 3.1Å; A1672-Q1675 CarbonylContact O-C 3.43Å; Q1675-S1679 WeakPolarHBondContact O-CA 3.36Å; Q1675-S1679 WeakPolarHBondContact O-CB 3.34Å; Q1675-S1679 PolarHBondContact O-N 3.31Å; Q1675-S1679 PolarHBondContact O-OG 2.78Å |
| 1676 | A | 73.1 | Confident | 74.6 | Confident | 51 Ų | 51 | 92.5 Ų | 92.5 | 42% | 0.421 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.5 | -39 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A1672 R1673 S1679 A1680 | A1672-A1676 WeakPolarHBondContact O-CB 3.03Å; A1672-A1676 PolarHBondContact O-N 3.11Å; R1673-A1676 CarbonylContact O-C 3.53Å; R1673-A1676 WeakPolarHBondContact O-CB 3.44Å; R1673-A1676 PolarHBondContact O-N 2.83Å; A1676-S1679 WeakPolarHBondContact CA-OG 3.41Å; A1676-S1679 PolarHBondContact O-OG 3.46Å; A1676-A1680 WeakPolarHBondContact O-CA 3.32Å; A1676-A1680 WeakPolarHBondContact O-CB 3.37Å; A1676-A1680 PolarHBondContact O-N 3.1Å |
| 1677 | I | 77.7 | Confident | 74.5 | Confident | 61 Ų | 61 | 94.9 Ų | 94.9 | 31% | 0.313 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 173 | -71.7 | 163.5 | 0 | 0 | 0 | 110.4 | R1673 D1674 A1680 R1681 | R1673-I1677 HydrophobicContact CG-CD1 4.07Å; R1673-I1677 WeakPolarHBondContact O-CB 3.29Å; R1673-I1677 VanDerWaalsContact O-CG1 3.27Å; R1673-I1677 WeakPolarHBondContact O-CG1 3.45Å; R1673-I1677 PolarHBondContact O-N 2.82Å; D1674-I1677 PolarHBondContact O-N 2.76Å; I1677-A1680 CarbonylContact O-C 3.59Å; I1677-A1680 PolarHBondContact O-N 2.79Å; I1677-R1681 WeakPolarHBondContact O-CB 3.49Å; I1677-R1681 WeakPolarHBondContact O-CD 3.26Å; I1677-R1681 WeakPolarHBondContact O-CG 3.4Å; I1677-R1681 PolarHBondContact O-N 3.07Å |
| 1678 | D | 74.9 | Confident | 74.3 | Confident | 86 Ų | 86 | 97.8 Ų | 97.8 | 46% | 0.46 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -78.5 | -26.9 | 179 | -81.7 | -12.2 | 0 | 0 | 0 | 113.1 | D1674 R1681 E1682 | D1674-D1678 WeakPolarHBondContact O-CB 3.49Å; D1674-D1678 PolarHBondContact O-N 2.85Å; D1678-R1681 CarbonylContact O-C 3.55Å; D1678-R1681 WeakPolarHBondContact OD1-CD 3.34Å; D1678-R1681 IonicContact OD1-CZ 2.6Å; D1678-R1681 IonicContact OD1-NE 3.69Å; D1678-R1681 IonicContact OD1-NH1 2.74Å; D1678-R1681 PolarHBondContact OD1-NH1 3.5Å; D1678-E1682 WeakPolarHBondContact O-CB 3.31Å; D1678-E1682 WeakPolarHBondContact O-CG 3.34Å; D1678-E1682 PolarHBondContact O-N 3.44Å |
| 1679 | S | 73.9 | Confident | 74 | Confident | 62 Ų | 62 | 99 Ų | 99 | 43% | 0.434 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -77.4 | -28.8 | 167.3 | 63.3 | 0 | 0 | 0 | 0 | 112.5 | Q1675 A1676 E1682 L1683 | Q1675-S1679 WeakPolarHBondContact O-CA 3.36Å; Q1675-S1679 WeakPolarHBondContact O-CB 3.34Å; Q1675-S1679 PolarHBondContact O-N 3.31Å; Q1675-S1679 PolarHBondContact O-OG 2.78Å; A1676-S1679 WeakPolarHBondContact CA-OG 3.41Å; A1676-S1679 PolarHBondContact O-OG 3.46Å; S1679-E1682 CarbonylContact O-C 3.31Å; S1679-E1682 PolarHBondContact O-N 2.68Å; S1679-L1683 VanDerWaalsContact O-CB 3.26Å; S1679-L1683 WeakPolarHBondContact O-CB 3.44Å; S1679-L1683 WeakPolarHBondContact O-CG 3.43Å; S1679-L1683 PolarHBondContact O-N 2.7Å |
| 1680 | A | 73.9 | Confident | 73.7 | Confident | 52 Ų | 52 | 102 Ų | 102 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.4 | -34.9 | 167 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1676 I1677 L1683 D1684 | A1676-A1680 WeakPolarHBondContact O-CA 3.32Å; A1676-A1680 WeakPolarHBondContact O-CB 3.37Å; A1676-A1680 PolarHBondContact O-N 3.1Å; I1677-A1680 CarbonylContact O-C 3.59Å; I1677-A1680 PolarHBondContact O-N 2.79Å; A1680-L1683 PolarHBondContact O-N 2.88Å; A1680-D1684 WeakPolarHBondContact O-CB 3.32Å; A1680-D1684 PolarHBondContact O-N 3.09Å |
| 1681 | R | 75.3 | Confident | 73.5 | Confident | 147 Ų | 147 | 103.6 Ų | 103.6 | 56% | 0.555 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -73.8 | -28.5 | 169.2 | -72.3 | 159 | 171.3 | 173.2 | 0.9 | 112.1 | I1677 D1678 K1685 | I1677-R1681 WeakPolarHBondContact O-CB 3.49Å; I1677-R1681 WeakPolarHBondContact O-CD 3.26Å; I1677-R1681 WeakPolarHBondContact O-CG 3.4Å; I1677-R1681 PolarHBondContact O-N 3.07Å; D1678-R1681 CarbonylContact O-C 3.55Å; D1678-R1681 WeakPolarHBondContact OD1-CD 3.34Å; D1678-R1681 IonicContact OD1-CZ 2.6Å; D1678-R1681 IonicContact OD1-NE 3.69Å; D1678-R1681 IonicContact OD1-NH1 2.74Å; D1678-R1681 PolarHBondContact OD1-NH1 3.5Å; R1681-K1685 WeakPolarHBondContact O-CA 3.1Å; R1681-K1685 WeakPolarHBondContact O-CB 3.43Å; R1681-K1685 WeakPolarHBondContact O-CG 3.46Å; R1681-K1685 PolarHBondContact O-N 3.06Å |
| 1682 | E | 73.4 | Confident | 73 | Confident | 107 Ų | 107 | 100 Ų | 100 | 50% | 0.5 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.1 | -35.2 | 166.9 | -83.9 | -140.7 | 150.4 | 0 | 0 | 111.1 | D1678 S1679 K1685 K1686 | D1678-E1682 WeakPolarHBondContact O-CB 3.31Å; D1678-E1682 WeakPolarHBondContact O-CG 3.34Å; D1678-E1682 PolarHBondContact O-N 3.44Å; S1679-E1682 CarbonylContact O-C 3.31Å; S1679-E1682 PolarHBondContact O-N 2.68Å; E1682-K1685 CarbonylContact O-C 3.54Å; E1682-K1686 WeakPolarHBondContact O-CA 3.47Å; E1682-K1686 WeakPolarHBondContact O-CB 3.38Å; E1682-K1686 VanDerWaalsContact O-CD 3.3Å; E1682-K1686 WeakPolarHBondContact O-CD 2.94Å; E1682-K1686 WeakPolarHBondContact O-CG 3.46Å; E1682-K1686 PolarHBondContact O-N 3.03Å; E1682-K1686 WeakPolarHBondContact OE2-CE 3.41Å; E1682-K1686 IonicContact OE2-NZ 3.78Å; E1682-K1686 PolarHBondContact OE2-NZ 2.8Å |
| 1683 | L | 73.3 | Confident | 72.3 | Confident | 118 Ų | 118 | 99.9 Ų | 99.9 | 62% | 0.618 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -73 | -38 | 175.9 | -88.9 | 163.8 | 0 | 0 | 0 | 111.2 | S1679 A1680 K1686 Y1687 | S1679-L1683 VanDerWaalsContact O-CB 3.26Å; S1679-L1683 WeakPolarHBondContact O-CB 3.44Å; S1679-L1683 WeakPolarHBondContact O-CG 3.43Å; S1679-L1683 PolarHBondContact O-N 2.7Å; A1680-L1683 PolarHBondContact O-N 2.88Å; L1683-K1686 CarbonylContact O-C 3.54Å; L1683-K1686 PolarHBondContact O-N 3.38Å; L1683-Y1687 WeakPolarHBondContact O-CA 3.31Å; L1683-Y1687 WeakPolarHBondContact O-CB 3.47Å; L1683-Y1687 PolarHBondContact O-N 2.87Å |
| 1684 | D | 74.5 | Confident | 71.7 | Confident | 65 Ų | 65 | 98.3 Ų | 98.3 | 35% | 0.348 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -75.3 | -34.7 | 172.2 | -176.5 | 33.3 | 0 | 0 | 0 | 111.1 | A1680 K1686 Y1687 R1688 | A1680-D1684 WeakPolarHBondContact O-CB 3.32Å; A1680-D1684 PolarHBondContact O-N 3.09Å; D1684-K1686 VanDerWaalsContact C-N 3.34Å; D1684-Y1687 PolarHBondContact O-N 3.39Å; D1684-R1688 WeakPolarHBondContact O-CB 3.37Å; D1684-R1688 WeakPolarHBondContact O-CG 3.36Å; D1684-R1688 PolarHBondContact O-N 3.45Å; D1684-R1688 IonicContact OD1-CZ 3.59Å; D1684-R1688 IonicContact OD1-NE 2.59Å; D1684-R1688 PolarHBondContact OD1-NE 3.11Å; D1684-R1688 IonicContact OD1-NH2 3.71Å; D1684-R1688 IonicContact OD2-CZ 2.78Å; D1684-R1688 IonicContact OD2-NE 2.88Å; D1684-R1688 PolarHBondContact OD2-NE 3.4Å; D1684-R1688 IonicContact OD2-NH2 2.67Å; D1684-R1688 PolarHBondContact OD2-NH2 3Å |
| 1685 | K | 71.5 | Confident | 71.1 | Confident | 145 Ų | 145 | 97.4 Ų | 97.4 | 63% | 0.63 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.2 | -38.3 | 163.6 | -83.9 | 177.4 | 176.2 | 175.4 | 0 | 111.4 | R1681 E1682 M1689 | R1681-K1685 WeakPolarHBondContact O-CA 3.1Å; R1681-K1685 WeakPolarHBondContact O-CB 3.43Å; R1681-K1685 WeakPolarHBondContact O-CG 3.46Å; R1681-K1685 PolarHBondContact O-N 3.06Å; E1682-K1685 CarbonylContact O-C 3.54Å; K1685-M1689 VanDerWaalsContact O-CA 3.31Å; K1685-M1689 WeakPolarHBondContact O-CA 3.34Å; K1685-M1689 WeakPolarHBondContact O-CB 3.27Å; K1685-M1689 WeakPolarHBondContact O-CG 3.49Å; K1685-M1689 PolarHBondContact O-N 3.33Å |
| 1686 | K | 72 | Confident | 70.3 | Confident | 100 Ų | 100 | 97.4 Ų | 97.4 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -75.8 | -22.6 | 176.2 | -76.1 | 161.3 | -169.8 | 162.1 | 0 | 111.9 | E1682 L1683 D1684 L1690 | E1682-K1686 WeakPolarHBondContact O-CA 3.47Å; E1682-K1686 WeakPolarHBondContact O-CB 3.38Å; E1682-K1686 VanDerWaalsContact O-CD 3.3Å; E1682-K1686 WeakPolarHBondContact O-CD 2.94Å; E1682-K1686 WeakPolarHBondContact O-CG 3.46Å; E1682-K1686 PolarHBondContact O-N 3.03Å; E1682-K1686 WeakPolarHBondContact OE2-CE 3.41Å; E1682-K1686 IonicContact OE2-NZ 3.78Å; E1682-K1686 PolarHBondContact OE2-NZ 2.8Å; L1683-K1686 CarbonylContact O-C 3.54Å; L1683-K1686 PolarHBondContact O-N 3.38Å; D1684-K1686 VanDerWaalsContact C-N 3.34Å; K1686-L1690 WeakPolarHBondContact O-CA 3.26Å; K1686-L1690 WeakPolarHBondContact O-CB 3.44Å; K1686-L1690 WeakPolarHBondContact O-CD1 3.47Å; K1686-L1690 WeakPolarHBondContact O-CG 3.4Å; K1686-L1690 PolarHBondContact O-N 3.32Å |
| 1687 | Y | 70.8 | Confident | 69.4 | Low | 167 Ų | 167 | 101.2 Ų | 101.2 | 66% | 0.655 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -85.6 | -44.6 | 175.8 | -159.2 | -83.7 | 0 | 0 | 0 | 110.3 | L1683 D1684 M1689 L1690 D1691 | L1683-Y1687 WeakPolarHBondContact O-CA 3.31Å; L1683-Y1687 WeakPolarHBondContact O-CB 3.47Å; L1683-Y1687 PolarHBondContact O-N 2.87Å; D1684-Y1687 PolarHBondContact O-N 3.39Å; Y1687-M1689 VanDerWaalsContact C-N 3.32Å; Y1687-L1690 CarbonylContact O-C 3.55Å; Y1687-L1690 PolarHBondContact O-N 3Å; Y1687-L1690 VanDerWaalsContact O-N 3.17Å; Y1687-D1691 WeakPolarHBondContact O-CB 3.5Å; Y1687-D1691 PolarHBondContact O-N 2.92Å |
| 1688 | R | 71.2 | Confident | 68.4 | Low | 167 Ų | 167 | 105.3 Ų | 105.3 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66 | -33 | 168 | -64.4 | 177 | -159.6 | -150.6 | 10.6 | 111.8 | D1684 A1692 | D1684-R1688 WeakPolarHBondContact O-CB 3.37Å; D1684-R1688 WeakPolarHBondContact O-CG 3.36Å; D1684-R1688 PolarHBondContact O-N 3.45Å; D1684-R1688 IonicContact OD1-CZ 3.59Å; D1684-R1688 IonicContact OD1-NE 2.59Å; D1684-R1688 PolarHBondContact OD1-NE 3.11Å; D1684-R1688 IonicContact OD1-NH2 3.71Å; D1684-R1688 IonicContact OD2-CZ 2.78Å; D1684-R1688 IonicContact OD2-NE 2.88Å; D1684-R1688 PolarHBondContact OD2-NE 3.4Å; D1684-R1688 IonicContact OD2-NH2 2.67Å; D1684-R1688 PolarHBondContact OD2-NH2 3Å; R1688-A1692 WeakPolarHBondContact O-CA 3.49Å; R1688-A1692 WeakPolarHBondContact O-CB 3.4Å; R1688-A1692 PolarHBondContact O-N 3.38Å |
| 1689 | M | 68.2 | Low | 67.5 | Low | 105 Ų | 105 | 108 Ų | 108 | 52% | 0.517 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.4 | -38.2 | 166.9 | -78 | 173.2 | 56.3 | 0 | 0 | 110.7 | K1685 Y1687 D1691 A1692 D1693 | K1685-M1689 VanDerWaalsContact O-CA 3.31Å; K1685-M1689 WeakPolarHBondContact O-CA 3.34Å; K1685-M1689 WeakPolarHBondContact O-CB 3.27Å; K1685-M1689 WeakPolarHBondContact O-CG 3.49Å; K1685-M1689 PolarHBondContact O-N 3.33Å; Y1687-M1689 VanDerWaalsContact C-N 3.32Å; M1689-D1691 VanDerWaalsContact C-N 3.29Å; M1689-D1691 PolarHBondContact O-N 3.24Å; M1689-A1692 CarbonylContact O-C 3.6Å; M1689-D1693 WeakPolarHBondContact O-CA 3.34Å; M1689-D1693 WeakPolarHBondContact O-CB 3.41Å; M1689-D1693 PolarHBondContact O-N 2.99Å |
| 1690 | L | 66.7 | Low | 66.5 | Low | 121 Ų | 121 | 107.5 Ų | 107.5 | 63% | 0.634 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.8 | -26.5 | 175.4 | -81.7 | 165.7 | 0 | 0 | 0 | 112.6 | K1686 Y1687 K1694 | K1686-L1690 WeakPolarHBondContact O-CA 3.26Å; K1686-L1690 WeakPolarHBondContact O-CB 3.44Å; K1686-L1690 WeakPolarHBondContact O-CD1 3.47Å; K1686-L1690 WeakPolarHBondContact O-CG 3.4Å; K1686-L1690 PolarHBondContact O-N 3.32Å; Y1687-L1690 CarbonylContact O-C 3.55Å; Y1687-L1690 PolarHBondContact O-N 3Å; Y1687-L1690 VanDerWaalsContact O-N 3.17Å; L1690-K1694 WeakPolarHBondContact O-CB 3.32Å; L1690-K1694 PolarHBondContact O-N 3.38Å |
| 1691 | D | 71.3 | Confident | 65.3 | Low | 80 Ų | 80 | 110.9 Ų | 110.9 | 43% | 0.428 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -87.6 | -33.7 | 176.1 | -143.7 | 35.6 | 0 | 0 | 0 | 111.8 | Y1687 M1689 K1694 A1695 | Y1687-D1691 WeakPolarHBondContact O-CB 3.5Å; Y1687-D1691 PolarHBondContact O-N 2.92Å; M1689-D1691 VanDerWaalsContact C-N 3.29Å; M1689-D1691 PolarHBondContact O-N 3.24Å; D1691-K1694 PolarHBondContact O-N 3.08Å; D1691-K1694 WeakPolarHBondContact OD1-CD 3.39Å; D1691-K1694 WeakPolarHBondContact OD1-CE 3.38Å; D1691-K1694 IonicContact OD1-NZ 3.2Å; D1691-K1694 PolarHBondContact OD1-NZ 2.91Å; D1691-A1695 WeakPolarHBondContact O-CB 3.2Å; D1691-A1695 PolarHBondContact O-N 3.41Å |
| 1692 | A | 68 | Low | 64.5 | Low | 49 Ų | 49 | 105.5 Ų | 105.5 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -77.4 | -24.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1688 M1689 R1696 | R1688-A1692 WeakPolarHBondContact O-CA 3.49Å; R1688-A1692 WeakPolarHBondContact O-CB 3.4Å; R1688-A1692 PolarHBondContact O-N 3.38Å; M1689-A1692 CarbonylContact O-C 3.6Å; A1692-R1696 VanDerWaalsContact O-CB 3.24Å; A1692-R1696 WeakPolarHBondContact O-CB 3.21Å; A1692-R1696 WeakPolarHBondContact O-CG 3.23Å; A1692-R1696 PolarHBondContact O-N 3.2Å |
| 1693 | D | 60.2 | Low | 63.7 | Low | 52 Ų | 52 | 102.7 Ų | 102.7 | 28% | 0.278 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -85 | -12.8 | 167.5 | -64.9 | -26.2 | 0 | 0 | 0 | 110.5 | M1689 L1697 | M1689-D1693 WeakPolarHBondContact O-CA 3.34Å; M1689-D1693 WeakPolarHBondContact O-CB 3.41Å; M1689-D1693 PolarHBondContact O-N 2.99Å; D1693-L1697 WeakPolarHBondContact O-CA 3.41Å; D1693-L1697 WeakPolarHBondContact O-CB 3.33Å; D1693-L1697 VanDerWaalsContact O-CD1 3.29Å; D1693-L1697 WeakPolarHBondContact O-CD1 3.38Å; D1693-L1697 WeakPolarHBondContact O-CG 3.47Å; D1693-L1697 PolarHBondContact O-N 3.36Å |
| 1694 | K | 63.3 | Low | 62.5 | Low | 120 Ų | 120 | 100.5 Ų | 100.5 | 52% | 0.522 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -84.2 | -36.7 | 163.6 | 171.3 | 177.6 | 141 | -140.4 | 0 | 110.8 | L1690 D1691 Q1698 | L1690-K1694 WeakPolarHBondContact O-CB 3.32Å; L1690-K1694 PolarHBondContact O-N 3.38Å; D1691-K1694 PolarHBondContact O-N 3.08Å; D1691-K1694 WeakPolarHBondContact OD1-CD 3.39Å; D1691-K1694 WeakPolarHBondContact OD1-CE 3.38Å; D1691-K1694 IonicContact OD1-NZ 3.2Å; D1691-K1694 PolarHBondContact OD1-NZ 2.91Å; K1694-Q1698 WeakPolarHBondContact O-CG 3.27Å; K1694-Q1698 PolarHBondContact O-N 3.44Å; K1694-Q1698 VanDerWaalsContact O-N 3.13Å |
| 1695 | A | 64.1 | Low | 61.4 | Low | 51 Ų | 51 | 104.3 Ų | 104.3 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1691 Q1698 E1699 | D1691-A1695 WeakPolarHBondContact O-CB 3.2Å; D1691-A1695 PolarHBondContact O-N 3.41Å; A1695-Q1698 CarbonylContact O-C 2.98Å; A1695-Q1698 WeakPolarHBondContact O-CA 3.43Å; A1695-Q1698 WeakPolarHBondContact O-CB 3.21Å; A1695-Q1698 PolarHBondContact O-N 3.03Å; A1695-Q1698 VanDerWaalsContact O-N 3.13Å; A1695-E1699 PolarHBondContact O-N 3.01Å |
| 1696 | R | 59.5 | Low | 60.4 | Low | 140 Ų | 140 | 105.5 Ų | 105.5 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.5 | -41.2 | 171.2 | -80.6 | 173.2 | 144.3 | 176.7 | -4.6 | 112.6 | A1692 Q1698 E1699 D1700 L1701 | A1692-R1696 VanDerWaalsContact O-CB 3.24Å; A1692-R1696 WeakPolarHBondContact O-CB 3.21Å; A1692-R1696 WeakPolarHBondContact O-CG 3.23Å; A1692-R1696 PolarHBondContact O-N 3.2Å; R1696-Q1698 CarbonylContact O-C 3.53Å; R1696-Q1698 PolarHBondContact O-N 3.44Å; R1696-E1699 CarbonylContact O-C 3.15Å; R1696-E1699 PolarHBondContact O-N 3.18Å; R1696-D1700 HydrophobicContact CB-CB 4.1Å; R1696-D1700 WeakPolarHBondContact CB-OD2 3.36Å; R1696-D1700 VanDerWaalsContact CD-OD2 3.23Å; R1696-D1700 WeakPolarHBondContact CD-OD2 3.36Å; R1696-D1700 VanDerWaalsContact CG-OD2 3.22Å; R1696-D1700 WeakPolarHBondContact CG-OD2 3.24Å; R1696-D1700 IonicContact NE-OD2 2.79Å; R1696-D1700 PolarHBondContact NE-OD2 3.05Å; R1696-D1700 CarbonylContact O-C 3.57Å; R1696-D1700 WeakPolarHBondContact O-CA 3.45Å; R1696-D1700 WeakPolarHBondContact O-CB 3.18Å; R1696-D1700 PolarHBondContact O-N 3.01Å; R1696-L1701 PolarHBondContact O-N 2.94Å |
| 1697 | L | 52.9 | Low | 59.6 | Low | 130 Ų | 130 | 105 Ų | 105 | 68% | 0.681 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.8 | 4.7 | 170.2 | -67.6 | 166.6 | 0 | 0 | 0 | 112.8 | D1693 L1701 | D1693-L1697 WeakPolarHBondContact O-CA 3.41Å; D1693-L1697 WeakPolarHBondContact O-CB 3.33Å; D1693-L1697 VanDerWaalsContact O-CD1 3.29Å; D1693-L1697 WeakPolarHBondContact O-CD1 3.38Å; D1693-L1697 WeakPolarHBondContact O-CG 3.47Å; D1693-L1697 PolarHBondContact O-N 3.36Å; L1697-L1701 WeakPolarHBondContact O-CB 3.42Å |
| 1698 | Q | 56.8 | Low | 58.5 | Low | 148 Ų | 148 | 101.2 Ų | 101.2 | 69% | 0.692 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -104.2 | -35.8 | 158.5 | -70.7 | 176.7 | -21.7 | 0 | 0 | 113.4 | K1694 A1695 R1696 | K1694-Q1698 WeakPolarHBondContact O-CG 3.27Å; K1694-Q1698 PolarHBondContact O-N 3.44Å; K1694-Q1698 VanDerWaalsContact O-N 3.13Å; A1695-Q1698 CarbonylContact O-C 2.98Å; A1695-Q1698 WeakPolarHBondContact O-CA 3.43Å; A1695-Q1698 WeakPolarHBondContact O-CB 3.21Å; A1695-Q1698 PolarHBondContact O-N 3.03Å; A1695-Q1698 VanDerWaalsContact O-N 3.13Å; R1696-Q1698 CarbonylContact O-C 3.53Å; R1696-Q1698 PolarHBondContact O-N 3.44Å |
| 1699 | E | 57.1 | Low | 57.6 | Low | 142 Ų | 142 | 102.6 Ų | 102.6 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -93.7 | -51.8 | -179.3 | -171.5 | 169.5 | -142.6 | 0 | 0 | 114 | A1695 R1696 L1701 G1702 V1703 | A1695-E1699 PolarHBondContact O-N 3.01Å; R1696-E1699 CarbonylContact O-C 3.15Å; R1696-E1699 PolarHBondContact O-N 3.18Å; E1699-L1701 PolarHBondContact O-N 3.07Å; E1699-G1702 CarbonylContact O-C 3.08Å; E1699-G1702 WeakPolarHBondContact O-CA 3.31Å; E1699-G1702 PolarHBondContact O-N 3.07Å; E1699-V1703 PolarHBondContact O-N 3.37Å |
| 1700 | D | 51.9 | Low | 56.8 | Low | 52 Ų | 52 | 102.9 Ų | 102.9 | 28% | 0.278 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.5 | -11.8 | 160.4 | -70.7 | -35.1 | 0 | 0 | 0 | 113.5 | R1696 G1702 V1703 S1704 | R1696-D1700 HydrophobicContact CB-CB 4.1Å; R1696-D1700 WeakPolarHBondContact CB-OD2 3.36Å; R1696-D1700 VanDerWaalsContact CD-OD2 3.23Å; R1696-D1700 WeakPolarHBondContact CD-OD2 3.36Å; R1696-D1700 VanDerWaalsContact CG-OD2 3.22Å; R1696-D1700 WeakPolarHBondContact CG-OD2 3.24Å; R1696-D1700 IonicContact NE-OD2 2.79Å; R1696-D1700 PolarHBondContact NE-OD2 3.05Å; R1696-D1700 CarbonylContact O-C 3.57Å; R1696-D1700 WeakPolarHBondContact O-CA 3.45Å; R1696-D1700 WeakPolarHBondContact O-CB 3.18Å; R1696-D1700 PolarHBondContact O-N 3.01Å; D1700-G1702 PolarHBondContact O-N 3.01Å; D1700-V1703 PolarHBondContact O-N 3.28Å; D1700-S1704 WeakPolarHBondContact O-CA 3.39Å; D1700-S1704 WeakPolarHBondContact O-CB 3.06Å; D1700-S1704 PolarHBondContact O-N 2.93Å |
| 1701 | L | 50.1 | Low | 56.1 | Low | 123 Ų | 123 | 103.5 Ų | 103.5 | 64% | 0.644 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.5 | -29.9 | 161.5 | -177.5 | 59.5 | 0 | 0 | 0 | 111.5 | R1696 L1697 E1699 | R1696-L1701 PolarHBondContact O-N 2.94Å; L1697-L1701 WeakPolarHBondContact O-CB 3.42Å; E1699-L1701 PolarHBondContact O-N 3.07Å |
| 1702 | G | 57.7 | Low | 55.1 | Low | 33 Ų | 33 | 107.3 Ų | 107.3 | 34% | 0.34 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -92.3 | -19.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E1699 D1700 | E1699-G1702 CarbonylContact O-C 3.08Å; E1699-G1702 WeakPolarHBondContact O-CA 3.31Å; E1699-G1702 PolarHBondContact O-N 3.07Å; D1700-G1702 PolarHBondContact O-N 3.01Å |
| 1703 | V | 56.8 | Low | 54.5 | Low | 49 Ų | 49 | 108.2 Ų | 108.2 | 30% | 0.297 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -100.4 | -27.3 | -179.4 | -176.7 | 0 | 0 | 0 | 0 | 113.3 | E1699 D1700 E1705 R1706 N1707 | E1699-V1703 PolarHBondContact O-N 3.37Å; D1700-V1703 PolarHBondContact O-N 3.28Å; V1703-E1705 VanDerWaalsContact C-N 3.28Å; V1703-E1705 PolarHBondContact O-N 2.97Å; V1703-R1706 WeakPolarHBondContact O-CA 3.22Å; V1703-R1706 WeakPolarHBondContact O-CB 3.32Å; V1703-R1706 PolarHBondContact O-N 3.47Å; V1703-N1707 HydrophobicContact CG1-CB 4.4Å; V1703-N1707 WeakPolarHBondContact CG1-ND2 3.22Å; V1703-N1707 PolarHBondContact O-N 3.26Å |
| 1704 | S | 48.6 | Very low | 54.1 | Low | 72 Ų | 72 | 110.3 Ų | 110.3 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.9 | -35 | 173.8 | -175.5 | 0 | 0 | 0 | 0 | 112 | D1700 R1706 C1708 | D1700-S1704 WeakPolarHBondContact O-CA 3.39Å; D1700-S1704 WeakPolarHBondContact O-CB 3.06Å; D1700-S1704 PolarHBondContact O-N 2.93Å; S1704-R1706 PolarHBondContact O-N 2.88Å; S1704-C1708 WeakPolarHBondContact O-CB 3.24Å; S1704-C1708 PolarHBondContact O-N 3.28Å |
| 1705 | E | 50.6 | Low | 53.6 | Low | 144 Ų | 144 | 110.3 Ų | 110.3 | 67% | 0.673 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -56.4 | -15.5 | 169.9 | -66.8 | -161.8 | 139 | 0 | 0 | 114.1 | V1703 | V1703-E1705 VanDerWaalsContact C-N 3.28Å; V1703-E1705 PolarHBondContact O-N 2.97Å |
| 1706 | R | 50 | Low | 53.1 | Low | 170 Ų | 170 | 112.7 Ų | 112.7 | 64% | 0.642 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -116.2 | -51.5 | -175.1 | -55.4 | -178.4 | -170.1 | 171.2 | 6.2 | 111.9 | V1703 S1704 C1708 R1709 | V1703-R1706 WeakPolarHBondContact O-CA 3.22Å; V1703-R1706 WeakPolarHBondContact O-CB 3.32Å; V1703-R1706 PolarHBondContact O-N 3.47Å; S1704-R1706 PolarHBondContact O-N 2.88Å; R1706-C1708 VanDerWaalsContact C-N 3.33Å; R1706-C1708 PolarHBondContact O-N 3.47Å; R1706-R1709 PolarHBondContact O-N 3.21Å |
| 1707 | N | 55.4 | Low | 52.9 | Low | 91 Ų | 91 | 112.1 Ų | 112.1 | 49% | 0.487 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -76.7 | -15.5 | -174.1 | -75.7 | -4 | 0 | 0 | 0 | 114.3 | V1703 R1709 N1710 | V1703-N1707 HydrophobicContact CG1-CB 4.4Å; V1703-N1707 WeakPolarHBondContact CG1-ND2 3.22Å; V1703-N1707 PolarHBondContact O-N 3.26Å; N1707-R1709 PolarHBondContact O-N 2.98Å; N1707-N1710 PolarHBondContact O-N 3.05Å; N1707-N1710 VanDerWaalsContact O-N 3.15Å |
| 1708 | C | 48.7 | Very low | 53.1 | Low | 86 Ų | 86 | 109.3 Ų | 109.3 | 58% | 0.581 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -12 | 169.2 | -172 | 0 | 0 | 0 | 0 | 113.6 | S1704 R1706 | S1704-C1708 WeakPolarHBondContact O-CB 3.24Å; S1704-C1708 PolarHBondContact O-N 3.28Å; R1706-C1708 VanDerWaalsContact C-N 3.33Å; R1706-C1708 PolarHBondContact O-N 3.47Å |
| 1709 | R | 50.8 | Low | 53 | Low | 197 Ų | 197 | 107.6 Ų | 107.6 | 74% | 0.743 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -22 | 177.6 | -65.7 | -177 | 177.2 | 133.8 | 7.4 | 115.2 | R1706 N1707 | R1706-R1709 PolarHBondContact O-N 3.21Å; N1707-R1709 PolarHBondContact O-N 2.98Å |
| 1710 | N | 51.3 | Low | 53 | Low | 111 Ų | 111 | 107.5 Ų | 107.5 | 59% | 0.594 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -45.2 | -169.8 | -68.9 | 11.1 | 0 | 0 | 0 | 113.1 | N1707 K1712 S1713 | N1707-N1710 PolarHBondContact O-N 3.05Å; N1707-N1710 VanDerWaalsContact O-N 3.15Å; N1710-K1712 PolarHBondContact O-N 3.12Å; N1710-S1713 PolarHBondContact O-N 3.23Å |
| 1711 | L | 53.5 | Low | 53.1 | Low | 134 Ų | 134 | 112.6 Ų | 112.6 | 70% | 0.702 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 12.5 | -178.9 | -72 | 168.1 | 0 | 0 | 0 | 114.9 | ||
| 1712 | K | 49.9 | Very low | 53.1 | Low | 159 Ų | 159 | 112.2 Ų | 112.2 | 69% | 0.691 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -5.9 | 166.5 | -81.6 | -175 | 171.6 | 179.8 | 0 | 113.7 | N1710 | N1710-K1712 PolarHBondContact O-N 3.12Š|
| 1713 | S | 54.7 | Low | 53.1 | Low | 68 Ų | 68 | 113.5 Ų | 113.5 | 48% | 0.476 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -84 | -60.8 | 177.8 | -156.2 | 0 | 0 | 0 | 0 | 110.8 | N1710 L1715 N1716 | N1710-S1713 PolarHBondContact O-N 3.23Å; S1713-L1715 PolarHBondContact O-N 2.86Å; S1713-N1716 PolarHBondContact O-N 3.2Å |
| 1714 | D | 52.3 | Low | 53.1 | Low | 97 Ų | 97 | 116 Ų | 116 | 52% | 0.519 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.3 | -27.1 | -169.5 | -42.8 | 7.1 | 0 | 0 | 0 | 113 | N1716 E1717 A1718 | D1714-N1716 PolarHBondContact O-N 3.42Å; D1714-E1717 PolarHBondContact O-N 3.15Å; D1714-A1718 PolarHBondContact O-N 2.96Å |
| 1715 | L | 52.2 | Low | 53.4 | Low | 120 Ų | 120 | 115 Ų | 115 | 63% | 0.628 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.5 | -25.7 | 177.9 | -175.4 | 61.2 | 0 | 0 | 0 | 113.2 | S1713 | S1713-L1715 PolarHBondContact O-N 2.86Å |
| 1716 | N | 55.3 | Low | 53.7 | Low | 101 Ų | 101 | 111.5 Ų | 111.5 | 54% | 0.54 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -87.8 | -38.6 | 177.1 | -72 | -21.8 | 0 | 0 | 0 | 112.2 | S1713 D1714 A1718 L1719 E1720 | S1713-N1716 PolarHBondContact O-N 3.2Å; D1714-N1716 PolarHBondContact O-N 3.42Å; N1716-A1718 VanDerWaalsContact C-N 3.33Å; N1716-A1718 PolarHBondContact O-N 3.15Å; N1716-L1719 WeakPolarHBondContact O-CB 3.4Å; N1716-L1719 PolarHBondContact O-N 2.73Å; N1716-E1720 PolarHBondContact O-N 2.88Å; N1716-E1720 VanDerWaalsContact O-N 3.11Å |
| 1717 | E | 55.2 | Low | 54.1 | Low | 127 Ų | 127 | 108.8 Ų | 108.8 | 59% | 0.593 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.6 | -38.2 | -178.9 | -64.9 | -178.1 | 157.1 | 0 | 0 | 111.2 | D1714 L1719 E1720 E1721 | D1714-E1717 PolarHBondContact O-N 3.15Å; E1717-L1719 PolarHBondContact O-N 3.15Å; E1717-E1720 PolarHBondContact O-N 3.38Å; E1717-E1721 PolarHBondContact O-N 2.9Å |
| 1718 | A | 55.4 | Low | 54 | Low | 72 Ų | 72 | 108.1 Ų | 108.1 | 60% | 0.595 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.7 | -19.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1714 N1716 | D1714-A1718 PolarHBondContact O-N 2.96Å; N1716-A1718 VanDerWaalsContact C-N 3.33Å; N1716-A1718 PolarHBondContact O-N 3.15Å |
| 1719 | L | 55.9 | Low | 54.2 | Low | 112 Ų | 112 | 109 Ų | 109 | 59% | 0.586 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -86.6 | -32.7 | 173.4 | -81.7 | 167.2 | 0 | 0 | 0 | 112.3 | N1716 E1717 S1723 | N1716-L1719 WeakPolarHBondContact O-CB 3.4Å; N1716-L1719 PolarHBondContact O-N 2.73Å; E1717-L1719 PolarHBondContact O-N 3.15Å; L1719-S1723 PolarHBondContact O-N 3.34Å |
| 1720 | E | 56.4 | Low | 54.6 | Low | 140 Ų | 140 | 101.9 Ų | 101.9 | 65% | 0.654 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -78.1 | -39.3 | -178.9 | -68.6 | -163.6 | 148.9 | 0 | 0 | 113 | N1716 E1717 L1722 S1723 V1724 | N1716-E1720 PolarHBondContact O-N 2.88Å; N1716-E1720 VanDerWaalsContact O-N 3.11Å; E1717-E1720 PolarHBondContact O-N 3.38Å; E1720-L1722 VanDerWaalsContact C-N 3.29Å; E1720-L1722 PolarHBondContact O-N 3.47Å; E1720-S1723 WeakPolarHBondContact O-CA 3.48Å; E1720-S1723 WeakPolarHBondContact O-CB 3.43Å; E1720-S1723 PolarHBondContact O-N 2.98Å; E1720-S1723 PolarHBondContact O-OG 3.06Å; E1720-V1724 PolarHBondContact O-N 3.24Å; E1720-V1724 VanDerWaalsContact O-N 3.1Å |
| 1721 | E | 54.5 | Low | 54.9 | Low | 158 Ų | 158 | 102.5 Ų | 102.5 | 74% | 0.738 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.8 | -34 | 175.2 | -68.7 | -156 | 144.5 | 0 | 0 | 112.3 | E1717 S1723 V1724 A1725 | E1717-E1721 PolarHBondContact O-N 2.9Å; E1721-S1723 PolarHBondContact O-N 3.05Å; E1721-V1724 PolarHBondContact O-N 2.92Å; E1721-A1725 VanDerWaalsContact O-CB 3.31Å; E1721-A1725 WeakPolarHBondContact O-CB 3.42Å; E1721-A1725 PolarHBondContact O-N 2.77Å |
| 1722 | L | 50.3 | Low | 55.1 | Low | 116 Ų | 116 | 98.4 Ų | 98.4 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.7 | -27.6 | 172.6 | -150.9 | 79.9 | 0 | 0 | 0 | 112.1 | E1720 N1726 | E1720-L1722 VanDerWaalsContact C-N 3.29Å; E1720-L1722 PolarHBondContact O-N 3.47Å; L1722-N1726 WeakPolarHBondContact O-CB 3.38Å; L1722-N1726 PolarHBondContact O-N 2.8Å; L1722-N1726 VanDerWaalsContact O-N 3.09Å |
| 1723 | S | 57 | Low | 55.5 | Low | 59 Ų | 59 | 92.3 Ų | 92.3 | 41% | 0.413 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -76 | -39 | 176 | 86.4 | 0 | 0 | 0 | 0 | 112.9 | L1719 E1720 E1721 N1726 N1727 | L1719-S1723 PolarHBondContact O-N 3.34Å; E1720-S1723 WeakPolarHBondContact O-CA 3.48Å; E1720-S1723 WeakPolarHBondContact O-CB 3.43Å; E1720-S1723 PolarHBondContact O-N 2.98Å; E1720-S1723 PolarHBondContact O-OG 3.06Å; E1721-S1723 PolarHBondContact O-N 3.05Å; S1723-N1726 WeakPolarHBondContact O-CA 3.47Å; S1723-N1726 VanDerWaalsContact O-CB 3.25Å; S1723-N1726 WeakPolarHBondContact O-CB 3.47Å; S1723-N1726 PolarHBondContact O-N 2.98Å; S1723-N1727 PolarHBondContact O-N 2.93Å |
| 1724 | V | 57.5 | Low | 55.8 | Low | 103 Ų | 103 | 94.8 Ų | 94.8 | 62% | 0.624 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73.8 | -38.9 | 176.7 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | E1720 E1721 N1726 N1727 A1728 | E1720-V1724 PolarHBondContact O-N 3.24Å; E1720-V1724 VanDerWaalsContact O-N 3.1Å; E1721-V1724 PolarHBondContact O-N 2.92Å; V1724-N1726 VanDerWaalsContact C-N 3.25Å; V1724-N1726 PolarHBondContact O-N 2.98Å; V1724-N1727 PolarHBondContact O-N 3.37Å; V1724-A1728 PolarHBondContact O-N 2.97Å |
| 1725 | A | 54.2 | Low | 56.2 | Low | 50 Ų | 50 | 96.6 Ų | 96.6 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -51.5 | -49.1 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | E1721 N1727 A1728 K1729 | E1721-A1725 VanDerWaalsContact O-CB 3.31Å; E1721-A1725 WeakPolarHBondContact O-CB 3.42Å; E1721-A1725 PolarHBondContact O-N 2.77Å; A1725-N1727 PolarHBondContact O-N 2.8Å; A1725-A1728 PolarHBondContact O-N 2.75Å; A1725-K1729 WeakPolarHBondContact O-CA 2.86Å; A1725-K1729 WeakPolarHBondContact O-CB 3.36Å; A1725-K1729 PolarHBondContact O-N 3.44Å |
| 1726 | N | 56.5 | Low | 56.5 | Low | 71 Ų | 71 | 95.4 Ų | 95.4 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.1 | -14.4 | 176.5 | -106 | 9.7 | 0 | 0 | 0 | 115.8 | L1722 S1723 V1724 K1729 T1730 | L1722-N1726 WeakPolarHBondContact O-CB 3.38Å; L1722-N1726 PolarHBondContact O-N 2.8Å; L1722-N1726 VanDerWaalsContact O-N 3.09Å; S1723-N1726 WeakPolarHBondContact O-CA 3.47Å; S1723-N1726 VanDerWaalsContact O-CB 3.25Å; S1723-N1726 WeakPolarHBondContact O-CB 3.47Å; S1723-N1726 PolarHBondContact O-N 2.98Å; V1724-N1726 VanDerWaalsContact C-N 3.25Å; V1724-N1726 PolarHBondContact O-N 2.98Å; N1726-K1729 CarbonylContact O-C 3.56Å; N1726-K1729 PolarHBondContact OD1-NZ 2.52Å; N1726-T1730 VanDerWaalsContact O-CB 3.29Å; N1726-T1730 WeakPolarHBondContact O-CB 3.31Å; N1726-T1730 VanDerWaalsContact O-CG2 3.26Å; N1726-T1730 WeakPolarHBondContact O-CG2 3.48Å; N1726-T1730 PolarHBondContact O-N 3.03Å; N1726-T1730 PolarHBondContact O-OG1 2.75Å |
| 1727 | N | 58 | Low | 56.8 | Low | 113 Ų | 113 | 95.6 Ų | 95.6 | 60% | 0.604 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -93.9 | -43.4 | 176 | -79 | -9 | 0 | 0 | 0 | 113.4 | S1723 V1724 A1725 K1729 T1730 L1731 | S1723-N1727 PolarHBondContact O-N 2.93Å; V1724-N1727 PolarHBondContact O-N 3.37Å; A1725-N1727 PolarHBondContact O-N 2.8Å; N1727-K1729 PolarHBondContact O-N 2.72Å; N1727-T1730 WeakPolarHBondContact CA-OG1 3.48Å; N1727-T1730 PolarHBondContact O-N 3.14Å; N1727-T1730 PolarHBondContact O-OG1 3.15Å; N1727-L1731 PolarHBondContact O-N 3.33Å; N1727-L1731 VanDerWaalsContact O-N 3.09Å |
| 1728 | A | 53.4 | Low | 57.5 | Low | 77 Ų | 77 | 98.5 Ų | 98.5 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.3 | -37 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1724 A1725 T1730 A1732 | V1724-A1728 PolarHBondContact O-N 2.97Å; A1725-A1728 PolarHBondContact O-N 2.75Å; A1728-T1730 VanDerWaalsContact C-N 3.29Å; A1728-T1730 PolarHBondContact O-N 2.91Å; A1728-A1732 WeakPolarHBondContact O-CA 3.27Å; A1728-A1732 WeakPolarHBondContact O-CB 3.29Å; A1728-A1732 PolarHBondContact O-N 3.05Å |
| 1729 | K | 53.6 | Low | 58 | Low | 103 Ų | 103 | 99.7 Ų | 99.7 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -84.6 | 20.4 | 168.1 | -170.5 | -158.1 | 160.8 | -153.4 | 0 | 112.2 | A1725 N1726 N1727 L1733 | A1725-K1729 WeakPolarHBondContact O-CA 2.86Å; A1725-K1729 WeakPolarHBondContact O-CB 3.36Å; A1725-K1729 PolarHBondContact O-N 3.44Å; N1726-K1729 CarbonylContact O-C 3.56Å; N1726-K1729 PolarHBondContact OD1-NZ 2.52Å; N1727-K1729 PolarHBondContact O-N 2.72Å; K1729-L1733 HydrophobicContact CG-CD1 4Å; K1729-L1733 HydrophobicContact CG-CG 4.03Å; K1729-L1733 WeakPolarHBondContact O-CB 3.49Å; K1729-L1733 WeakPolarHBondContact O-CD1 3.24Å; K1729-L1733 WeakPolarHBondContact O-CG 3.44Å; K1729-L1733 PolarHBondContact O-N 3.47Å |
| 1730 | T | 58.4 | Low | 58.4 | Low | 49 Ų | 49 | 97.4 Ų | 97.4 | 30% | 0.301 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -117.2 | -24.9 | 154.6 | 36.2 | 0 | 0 | 0 | 0 | 113.1 | N1726 N1727 A1728 L1733 E1734 | N1726-T1730 VanDerWaalsContact O-CB 3.29Å; N1726-T1730 WeakPolarHBondContact O-CB 3.31Å; N1726-T1730 VanDerWaalsContact O-CG2 3.26Å; N1726-T1730 WeakPolarHBondContact O-CG2 3.48Å; N1726-T1730 PolarHBondContact O-N 3.03Å; N1726-T1730 PolarHBondContact O-OG1 2.75Å; N1727-T1730 WeakPolarHBondContact CA-OG1 3.48Å; N1727-T1730 PolarHBondContact O-N 3.14Å; N1727-T1730 PolarHBondContact O-OG1 3.15Å; A1728-T1730 VanDerWaalsContact C-N 3.29Å; A1728-T1730 PolarHBondContact O-N 2.91Å; T1730-L1733 VanDerWaalsContact C-N 3.3Å; T1730-L1733 HydrophobicContact CG2-CB 4.38Å; T1730-L1733 CarbonylContact O-C 3.56Å; T1730-L1733 PolarHBondContact O-N 2.6Å; T1730-L1733 VanDerWaalsContact O-N 3.12Å; T1730-E1734 WeakPolarHBondContact O-CA 3.23Å; T1730-E1734 WeakPolarHBondContact O-CB 3.19Å; T1730-E1734 WeakPolarHBondContact O-CG 3.31Å; T1730-E1734 PolarHBondContact O-N 3.44Å |
| 1731 | L | 58 | Low | 59.1 | Low | 123 Ų | 123 | 93.8 Ų | 93.8 | 64% | 0.644 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.3 | -37.9 | 155.6 | -88.7 | 163.1 | 0 | 0 | 0 | 110.9 | N1727 L1733 E1734 E1735 | N1727-L1731 PolarHBondContact O-N 3.33Å; N1727-L1731 VanDerWaalsContact O-N 3.09Å; L1731-L1733 PolarHBondContact O-N 2.94Å; L1731-E1734 PolarHBondContact O-N 2.93Å; L1731-E1734 VanDerWaalsContact O-N 3.13Å; L1731-E1735 WeakPolarHBondContact O-CA 3.39Å; L1731-E1735 WeakPolarHBondContact O-CB 3.43Å; L1731-E1735 PolarHBondContact O-N 3.31Å |
| 1732 | A | 57.8 | Low | 60 | Low | 48 Ų | 48 | 94.1 Ų | 94.1 | 40% | 0.397 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 33.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1728 K1736 | A1728-A1732 WeakPolarHBondContact O-CA 3.27Å; A1728-A1732 WeakPolarHBondContact O-CB 3.29Å; A1728-A1732 PolarHBondContact O-N 3.05Å; A1732-K1736 HydrophobicContact CB-CB 4.25Å; A1732-K1736 WeakPolarHBondContact O-CB 3.4Å |
| 1733 | L | 58.2 | Low | 60.9 | Low | 31 Ų | 31 | 93 Ų | 93 | 16% | 0.162 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -141.2 | 39.3 | 142.8 | -70.8 | 174 | 0 | 0 | 0 | 109 | K1729 T1730 L1731 K1736 K1737 E1740 | K1729-L1733 HydrophobicContact CG-CD1 4Å; K1729-L1733 HydrophobicContact CG-CG 4.03Å; K1729-L1733 WeakPolarHBondContact O-CB 3.49Å; K1729-L1733 WeakPolarHBondContact O-CD1 3.24Å; K1729-L1733 WeakPolarHBondContact O-CG 3.44Å; K1729-L1733 PolarHBondContact O-N 3.47Å; T1730-L1733 VanDerWaalsContact C-N 3.3Å; T1730-L1733 HydrophobicContact CG2-CB 4.38Å; T1730-L1733 CarbonylContact O-C 3.56Å; T1730-L1733 PolarHBondContact O-N 2.6Å; T1730-L1733 VanDerWaalsContact O-N 3.12Å; L1731-L1733 PolarHBondContact O-N 2.94Å; L1733-K1736 HydrophobicContact CD2-CB 4.5Å; L1733-K1736 HydrophobicContact CD2-CD 4.44Å; L1733-K1737 VanDerWaalsContact C-N 3.28Å; L1733-K1737 HydrophobicContact CB-CG 4.08Å; L1733-K1737 HydrophobicContact CD2-CG 4.5Å; L1733-K1737 WeakPolarHBondContact O-CB 3.32Å; L1733-K1737 VanDerWaalsContact O-CD 3.31Å; L1733-K1737 WeakPolarHBondContact O-CD 3.13Å; L1733-K1737 WeakPolarHBondContact O-CE 3.42Å; L1733-K1737 WeakPolarHBondContact O-CG 3.39Å; L1733-K1737 PolarHBondContact O-NZ 2.75Å; L1733-E1740 WeakPolarHBondContact CD2-OE2 3.2Å |
| 1734 | E | 61.1 | Low | 61.6 | Low | 121 Ų | 121 | 93 Ų | 93 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141 | -42.4 | 170 | -85.4 | -177.8 | 179.8 | 0 | 0 | 109.6 | T1730 L1731 K1737 R1738 | T1730-E1734 WeakPolarHBondContact O-CA 3.23Å; T1730-E1734 WeakPolarHBondContact O-CB 3.19Å; T1730-E1734 WeakPolarHBondContact O-CG 3.31Å; T1730-E1734 PolarHBondContact O-N 3.44Å; L1731-E1734 PolarHBondContact O-N 2.93Å; L1731-E1734 VanDerWaalsContact O-N 3.13Å; E1734-K1737 VanDerWaalsContact N-N 3.19Å; E1734-K1737 CarbonylContact O-C 3.45Å; E1734-R1738 WeakPolarHBondContact O-CB 3.42Å; E1734-R1738 PolarHBondContact O-N 3.07Å |
| 1735 | E | 60.7 | Low | 62.3 | Low | 134 Ų | 134 | 89.5 Ų | 89.5 | 63% | 0.626 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -38.5 | 154.2 | -167.9 | 161 | -108.7 | 0 | 0 | 110.6 | L1731 K1737 R1738 L1739 | L1731-E1735 WeakPolarHBondContact O-CA 3.39Å; L1731-E1735 WeakPolarHBondContact O-CB 3.43Å; L1731-E1735 PolarHBondContact O-N 3.31Å; E1735-K1737 VanDerWaalsContact C-N 3.29Å; E1735-K1737 PolarHBondContact O-N 2.96Å; E1735-R1738 CarbonylContact O-C 3.56Å; E1735-R1738 PolarHBondContact O-N 2.79Å; E1735-R1738 VanDerWaalsContact O-N 3.1Å; E1735-L1739 HydrophobicContact CG-CD1 4.47Å; E1735-L1739 VanDerWaalsContact O-CB 3.27Å; E1735-L1739 WeakPolarHBondContact O-CB 3.49Å; E1735-L1739 WeakPolarHBondContact O-CG 3.18Å; E1735-L1739 PolarHBondContact O-N 2.8Å |
| 1736 | K | 58.8 | Low | 63.1 | Low | 95 Ų | 95 | 91.3 Ų | 91.3 | 41% | 0.413 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -10.2 | 162.6 | -137.1 | -148.8 | 83.7 | 173.2 | 0 | 113.7 | A1732 L1733 E1740 | A1732-K1736 HydrophobicContact CB-CB 4.25Å; A1732-K1736 WeakPolarHBondContact O-CB 3.4Å; L1733-K1736 HydrophobicContact CD2-CB 4.5Å; L1733-K1736 HydrophobicContact CD2-CD 4.44Å; K1736-E1740 WeakPolarHBondContact CE-OE1 3.42Å; K1736-E1740 WeakPolarHBondContact CE-OE2 3.44Å; K1736-E1740 VanDerWaalsContact NZ-CD 3.28Å; K1736-E1740 IonicContact NZ-OE1 2.59Å; K1736-E1740 PolarHBondContact NZ-OE1 3.12Å; K1736-E1740 IonicContact NZ-OE2 3.41Å; K1736-E1740 WeakPolarHBondContact O-CA 3.28Å; K1736-E1740 WeakPolarHBondContact O-CB 3.44Å; K1736-E1740 WeakPolarHBondContact O-CG 3.28Å; K1736-E1740 PolarHBondContact O-N 2.8Å |
| 1737 | K | 61.5 | Low | 63.8 | Low | 105 Ų | 105 | 91.9 Ų | 91.9 | 46% | 0.457 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -1.9 | 157.9 | -76 | -170.2 | -142.6 | 98.9 | 0 | 114.2 | L1733 E1734 E1735 A1741 | L1733-K1737 VanDerWaalsContact C-N 3.28Å; L1733-K1737 HydrophobicContact CB-CG 4.08Å; L1733-K1737 HydrophobicContact CD2-CG 4.5Å; L1733-K1737 WeakPolarHBondContact O-CB 3.32Å; L1733-K1737 VanDerWaalsContact O-CD 3.31Å; L1733-K1737 WeakPolarHBondContact O-CD 3.13Å; L1733-K1737 WeakPolarHBondContact O-CE 3.42Å; L1733-K1737 WeakPolarHBondContact O-CG 3.39Å; L1733-K1737 PolarHBondContact O-NZ 2.75Å; E1734-K1737 VanDerWaalsContact N-N 3.19Å; E1734-K1737 CarbonylContact O-C 3.45Å; E1735-K1737 VanDerWaalsContact C-N 3.29Å; E1735-K1737 PolarHBondContact O-N 2.96Å; K1737-A1741 VanDerWaalsContact O-CA 3.3Å; K1737-A1741 WeakPolarHBondContact O-CA 3.27Å; K1737-A1741 WeakPolarHBondContact O-CB 3.44Å; K1737-A1741 PolarHBondContact O-N 3.45Å |
| 1738 | R | 70.7 | Confident | 64.4 | Low | 189 Ų | 189 | 90.8 Ų | 90.8 | 71% | 0.713 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -19.6 | 164.3 | -115.2 | 177.3 | 170 | 179.9 | -1.7 | 111.9 | E1734 E1735 R1742 | E1734-R1738 WeakPolarHBondContact O-CB 3.42Å; E1734-R1738 PolarHBondContact O-N 3.07Å; E1735-R1738 CarbonylContact O-C 3.56Å; E1735-R1738 PolarHBondContact O-N 2.79Å; E1735-R1738 VanDerWaalsContact O-N 3.1Å; R1738-R1742 WeakPolarHBondContact O-CB 3.4Å; R1738-R1742 PolarHBondContact O-N 3.21Å |
| 1739 | L | 66 | Low | 65.3 | Low | 96 Ų | 96 | 91.9 Ų | 91.9 | 50% | 0.503 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -12.6 | 167.5 | -63.4 | 175.2 | 0 | 0 | 0 | 110.7 | E1735 I1743 | E1735-L1739 HydrophobicContact CG-CD1 4.47Å; E1735-L1739 VanDerWaalsContact O-CB 3.27Å; E1735-L1739 WeakPolarHBondContact O-CB 3.49Å; E1735-L1739 WeakPolarHBondContact O-CG 3.18Å; E1735-L1739 PolarHBondContact O-N 2.8Å; L1739-I1743 WeakPolarHBondContact O-CA 3.25Å; L1739-I1743 WeakPolarHBondContact O-CB 3.44Å; L1739-I1743 VanDerWaalsContact O-CD1 3.28Å; L1739-I1743 WeakPolarHBondContact O-CD1 3.23Å; L1739-I1743 WeakPolarHBondContact O-CG1 3.16Å; L1739-I1743 PolarHBondContact O-N 2.86Å |
| 1740 | E | 64.7 | Low | 66 | Low | 65 Ų | 65 | 91.3 Ų | 91.3 | 30% | 0.304 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -58.8 | 152.1 | -76.1 | 163.9 | 150.3 | 0 | 0 | 107.8 | L1733 K1736 R1742 I1743 T1744 A1745 | L1733-E1740 WeakPolarHBondContact CD2-OE2 3.2Å; K1736-E1740 WeakPolarHBondContact CE-OE1 3.42Å; K1736-E1740 WeakPolarHBondContact CE-OE2 3.44Å; K1736-E1740 VanDerWaalsContact NZ-CD 3.28Å; K1736-E1740 IonicContact NZ-OE1 2.59Å; K1736-E1740 PolarHBondContact NZ-OE1 3.12Å; K1736-E1740 IonicContact NZ-OE2 3.41Å; K1736-E1740 WeakPolarHBondContact O-CA 3.28Å; K1736-E1740 WeakPolarHBondContact O-CB 3.44Å; K1736-E1740 WeakPolarHBondContact O-CG 3.28Å; K1736-E1740 PolarHBondContact O-N 2.8Å; E1740-R1742 CarbonylContact O-C 3.23Å; E1740-R1742 PolarHBondContact O-N 2.77Å; E1740-I1743 CarbonylContact O-C 3.37Å; E1740-I1743 WeakPolarHBondContact O-CA 3.35Å; E1740-I1743 PolarHBondContact O-N 3.48Å; E1740-T1744 CarbonylContact O-C 3.49Å; E1740-T1744 WeakPolarHBondContact O-CA 3.26Å; E1740-T1744 WeakPolarHBondContact O-CB 3.41Å; E1740-T1744 PolarHBondContact O-N 3.25Å; E1740-T1744 PolarHBondContact O-OG1 3.09Å; E1740-A1745 PolarHBondContact O-N 2.99Å |
| 1741 | A | 69.9 | Low | 66.6 | Low | 64 Ų | 64 | 95.4 Ų | 95.4 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 32.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | K1737 T1744 A1745 | K1737-A1741 VanDerWaalsContact O-CA 3.3Å; K1737-A1741 WeakPolarHBondContact O-CA 3.27Å; K1737-A1741 WeakPolarHBondContact O-CB 3.44Å; K1737-A1741 PolarHBondContact O-N 3.45Å; A1741-T1744 WeakPolarHBondContact CA-O 3.41Å; A1741-A1745 WeakPolarHBondContact O-CB 3.36Å |
| 1742 | R | 73.2 | Confident | 67.2 | Low | 165 Ų | 165 | 95.9 Ų | 95.9 | 62% | 0.623 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.5 | -3.6 | 154.3 | -156.8 | 173.1 | 179.1 | -179.2 | 0.2 | 113.9 | R1738 E1740 L1746 | R1738-R1742 WeakPolarHBondContact O-CB 3.4Å; R1738-R1742 PolarHBondContact O-N 3.21Å; E1740-R1742 CarbonylContact O-C 3.23Å; E1740-R1742 PolarHBondContact O-N 2.77Å; R1742-L1746 HydrophobicContact CG-CD1 4.15Å; R1742-L1746 HydrophobicContact CG-CG 4.06Å; R1742-L1746 WeakPolarHBondContact O-CB 3.29Å; R1742-L1746 WeakPolarHBondContact O-CD1 3.14Å; R1742-L1746 WeakPolarHBondContact O-CG 3.13Å; R1742-L1746 PolarHBondContact O-N 3.05Å; R1742-L1746 VanDerWaalsContact O-N 3.09Å |
| 1743 | I | 68.7 | Low | 67.8 | Low | 91 Ų | 91 | 98.9 Ų | 98.9 | 47% | 0.467 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -86.3 | -73.6 | 151.2 | -66.5 | 166.3 | 0 | 0 | 0 | 105.3 | L1739 E1740 A1745 L1746 E1747 | L1739-I1743 WeakPolarHBondContact O-CA 3.25Å; L1739-I1743 WeakPolarHBondContact O-CB 3.44Å; L1739-I1743 VanDerWaalsContact O-CD1 3.28Å; L1739-I1743 WeakPolarHBondContact O-CD1 3.23Å; L1739-I1743 WeakPolarHBondContact O-CG1 3.16Å; L1739-I1743 PolarHBondContact O-N 2.86Å; E1740-I1743 CarbonylContact O-C 3.37Å; E1740-I1743 WeakPolarHBondContact O-CA 3.35Å; E1740-I1743 PolarHBondContact O-N 3.48Å; I1743-A1745 PolarHBondContact O-N 3.47Å; I1743-L1746 CarbonylContact O-C 3.53Å; I1743-L1746 WeakPolarHBondContact O-CA 3.36Å; I1743-L1746 PolarHBondContact O-N 3.39Å; I1743-E1747 HydrophobicContact CG2-CG 3.85Å; I1743-E1747 WeakPolarHBondContact CG2-OE1 3.25Å; I1743-E1747 VanDerWaalsContact CG2-OE2 3.3Å; I1743-E1747 WeakPolarHBondContact CG2-OE2 3.43Å; I1743-E1747 VanDerWaalsContact O-CA 3.3Å; I1743-E1747 WeakPolarHBondContact O-CA 3.49Å; I1743-E1747 WeakPolarHBondContact O-CB 3.48Å; I1743-E1747 VanDerWaalsContact O-CG 3.31Å; I1743-E1747 WeakPolarHBondContact O-CG 3.34Å; I1743-E1747 PolarHBondContact O-N 2.85Å |
| 1744 | T | 72.2 | Confident | 68.4 | Low | 59 Ų | 59 | 101.8 Ų | 101.8 | 36% | 0.362 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 42.2 | 144.5 | 47.1 | 0 | 0 | 0 | 0 | 117.3 | E1740 A1741 E1747 | E1740-T1744 CarbonylContact O-C 3.49Å; E1740-T1744 WeakPolarHBondContact O-CA 3.26Å; E1740-T1744 WeakPolarHBondContact O-CB 3.41Å; E1740-T1744 PolarHBondContact O-N 3.25Å; E1740-T1744 PolarHBondContact O-OG1 3.09Å; A1741-T1744 WeakPolarHBondContact CA-O 3.41Å; T1744-E1747 HydrophobicContact CG2-CB 4.23Å; T1744-E1747 VanDerWaalsContact CG2-OE2 3.29Å; T1744-E1747 WeakPolarHBondContact CG2-OE2 3.48Å; T1744-E1747 PolarHBondContact N-OE2 2.85Å; T1744-E1747 VanDerWaalsContact N-OE2 3.12Å |
| 1745 | A | 71.9 | Confident | 68.8 | Low | 31 Ų | 31 | 99.6 Ų | 99.6 | 26% | 0.256 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.8 | 1.3 | 136.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1740 A1741 I1743 Q1749 | E1740-A1745 PolarHBondContact O-N 2.99Å; A1741-A1745 WeakPolarHBondContact O-CB 3.36Å; I1743-A1745 PolarHBondContact O-N 3.47Å; A1745-Q1749 WeakPolarHBondContact O-CB 3.49Å; A1745-Q1749 WeakPolarHBondContact O-CG 3.34Å |
| 1746 | L | 71.4 | Confident | 69.4 | Low | 88 Ų | 88 | 95.8 Ų | 95.8 | 46% | 0.461 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 3.7 | 151.7 | -67.9 | 171.5 | 0 | 0 | 0 | 112.4 | R1742 I1743 Q1749 L1750 | R1742-L1746 HydrophobicContact CG-CD1 4.15Å; R1742-L1746 HydrophobicContact CG-CG 4.06Å; R1742-L1746 WeakPolarHBondContact O-CB 3.29Å; R1742-L1746 WeakPolarHBondContact O-CD1 3.14Å; R1742-L1746 WeakPolarHBondContact O-CG 3.13Å; R1742-L1746 PolarHBondContact O-N 3.05Å; R1742-L1746 VanDerWaalsContact O-N 3.09Å; I1743-L1746 CarbonylContact O-C 3.53Å; I1743-L1746 WeakPolarHBondContact O-CA 3.36Å; I1743-L1746 PolarHBondContact O-N 3.39Å; L1746-Q1749 CarbonylContact O-C 3.5Å; L1746-L1750 WeakPolarHBondContact O-CA 3.39Å; L1746-L1750 WeakPolarHBondContact O-CB 3.26Å; L1746-L1750 WeakPolarHBondContact O-CD1 3.33Å; L1746-L1750 VanDerWaalsContact O-CG 3.32Å; L1746-L1750 WeakPolarHBondContact O-CG 3.14Å; L1746-L1750 PolarHBondContact O-N 2.82Å |
| 1747 | E | 70.5 | Confident | 69.9 | Low | 82 Ų | 82 | 96 Ų | 96 | 38% | 0.383 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | -20.8 | 172.8 | -62.1 | 173.5 | 158.5 | 0 | 0 | 108.4 | I1743 T1744 E1751 | I1743-E1747 HydrophobicContact CG2-CG 3.85Å; I1743-E1747 WeakPolarHBondContact CG2-OE1 3.25Å; I1743-E1747 VanDerWaalsContact CG2-OE2 3.3Å; I1743-E1747 WeakPolarHBondContact CG2-OE2 3.43Å; I1743-E1747 VanDerWaalsContact O-CA 3.3Å; I1743-E1747 WeakPolarHBondContact O-CA 3.49Å; I1743-E1747 WeakPolarHBondContact O-CB 3.48Å; I1743-E1747 VanDerWaalsContact O-CG 3.31Å; I1743-E1747 WeakPolarHBondContact O-CG 3.34Å; I1743-E1747 PolarHBondContact O-N 2.85Å; T1744-E1747 HydrophobicContact CG2-CB 4.23Å; T1744-E1747 VanDerWaalsContact CG2-OE2 3.29Å; T1744-E1747 WeakPolarHBondContact CG2-OE2 3.48Å; T1744-E1747 PolarHBondContact N-OE2 2.85Å; T1744-E1747 VanDerWaalsContact N-OE2 3.12Å; E1747-E1751 VanDerWaalsContact O-CA 3.24Å; E1747-E1751 WeakPolarHBondContact O-CA 3.48Å; E1747-E1751 WeakPolarHBondContact O-CB 3.3Å; E1747-E1751 WeakPolarHBondContact O-CG 3.25Å; E1747-E1751 PolarHBondContact O-N 2.83Å |
| 1748 | D | 71.3 | Confident | 70.4 | Confident | 90 Ų | 90 | 94.2 Ų | 94.2 | 48% | 0.481 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -21.1 | 148.1 | -63.1 | 14.7 | 0 | 0 | 0 | 109 | E1752 | D1748-E1752 WeakPolarHBondContact O-CA 3.22Å; D1748-E1752 WeakPolarHBondContact O-CB 3.34Å; D1748-E1752 VanDerWaalsContact O-CG 3.23Å; D1748-E1752 WeakPolarHBondContact O-CG 3.22Å; D1748-E1752 PolarHBondContact O-N 3.42Å |
| 1749 | Q | 72 | Confident | 70.4 | Confident | 101 Ų | 101 | 86.3 Ų | 86.3 | 47% | 0.472 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -16.3 | 168.8 | -67.2 | -177 | -17.3 | 0 | 0 | 114.6 | A1745 L1746 I1753 | A1745-Q1749 WeakPolarHBondContact O-CB 3.49Å; A1745-Q1749 WeakPolarHBondContact O-CG 3.34Å; L1746-Q1749 CarbonylContact O-C 3.5Å; Q1749-I1753 WeakPolarHBondContact O-CA 3.47Å; Q1749-I1753 WeakPolarHBondContact O-CB 3.29Å; Q1749-I1753 WeakPolarHBondContact O-CD1 3.32Å; Q1749-I1753 WeakPolarHBondContact O-CG1 3.31Å; Q1749-I1753 PolarHBondContact O-N 3.35Å |
| 1750 | L | 68.8 | Low | 70.6 | Confident | 90 Ų | 90 | 85.5 Ų | 85.5 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -89 | -16.4 | 161.9 | -94.2 | 157.7 | 0 | 0 | 0 | 111.2 | L1746 Q1754 | L1746-L1750 WeakPolarHBondContact O-CA 3.39Å; L1746-L1750 WeakPolarHBondContact O-CB 3.26Å; L1746-L1750 WeakPolarHBondContact O-CD1 3.33Å; L1746-L1750 VanDerWaalsContact O-CG 3.32Å; L1746-L1750 WeakPolarHBondContact O-CG 3.14Å; L1746-L1750 PolarHBondContact O-N 2.82Å; L1750-Q1754 HydrophobicContact CD2-CG 4.34Å; L1750-Q1754 WeakPolarHBondContact O-CA 3.35Å; L1750-Q1754 WeakPolarHBondContact O-CB 3.38Å; L1750-Q1754 WeakPolarHBondContact O-CG 3.34Å; L1750-Q1754 PolarHBondContact O-N 2.72Å |
| 1751 | E | 70.2 | Confident | 70.9 | Confident | 135 Ų | 135 | 85.5 Ų | 85.5 | 63% | 0.631 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -97 | -8.8 | 161.5 | -60.4 | -177.2 | 170.3 | 0 | 0 | 111.7 | E1747 S1755 | E1747-E1751 VanDerWaalsContact O-CA 3.24Å; E1747-E1751 WeakPolarHBondContact O-CA 3.48Å; E1747-E1751 WeakPolarHBondContact O-CB 3.3Å; E1747-E1751 WeakPolarHBondContact O-CG 3.25Å; E1747-E1751 PolarHBondContact O-N 2.83Å; E1751-S1755 WeakPolarHBondContact O-CA 3.48Å; E1751-S1755 WeakPolarHBondContact O-CB 3.45Å; E1751-S1755 PolarHBondContact O-N 2.91Å |
| 1752 | E | 71.4 | Confident | 70.8 | Confident | 134 Ų | 134 | 86.3 Ų | 86.3 | 63% | 0.626 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -86 | -30.4 | 155.8 | -86 | -169.5 | 142.3 | 0 | 0 | 110.9 | D1748 A1756 | D1748-E1752 WeakPolarHBondContact O-CA 3.22Å; D1748-E1752 WeakPolarHBondContact O-CB 3.34Å; D1748-E1752 VanDerWaalsContact O-CG 3.23Å; D1748-E1752 WeakPolarHBondContact O-CG 3.22Å; D1748-E1752 PolarHBondContact O-N 3.42Å; E1752-A1756 WeakPolarHBondContact O-CA 3.45Å; E1752-A1756 WeakPolarHBondContact O-CB 3.3Å; E1752-A1756 PolarHBondContact O-N 2.63Å |
| 1753 | I | 70.5 | Confident | 70.6 | Confident | 111 Ų | 111 | 87.5 Ų | 87.5 | 57% | 0.569 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -87.5 | -18.7 | 172.6 | -63.2 | 168 | 0 | 0 | 0 | 111.4 | Q1749 M1757 | Q1749-I1753 WeakPolarHBondContact O-CA 3.47Å; Q1749-I1753 WeakPolarHBondContact O-CB 3.29Å; Q1749-I1753 WeakPolarHBondContact O-CD1 3.32Å; Q1749-I1753 WeakPolarHBondContact O-CG1 3.31Å; Q1749-I1753 PolarHBondContact O-N 3.35Å; I1753-M1757 VanDerWaalsContact O-CA 3.25Å; I1753-M1757 WeakPolarHBondContact O-CA 3.37Å; I1753-M1757 WeakPolarHBondContact O-CB 3.36Å; I1753-M1757 PolarHBondContact O-N 3.39Å |
| 1754 | Q | 70.3 | Confident | 70.7 | Confident | 91 Ų | 91 | 89.7 Ų | 89.7 | 43% | 0.425 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -99.2 | -12.3 | 161.7 | -61.9 | 175.1 | -125.1 | 0 | 0 | 113.7 | L1750 D1758 | L1750-Q1754 HydrophobicContact CD2-CG 4.34Å; L1750-Q1754 WeakPolarHBondContact O-CA 3.35Å; L1750-Q1754 WeakPolarHBondContact O-CB 3.38Å; L1750-Q1754 WeakPolarHBondContact O-CG 3.34Å; L1750-Q1754 PolarHBondContact O-N 2.72Å; Q1754-D1758 WeakPolarHBondContact O-CA 3.29Å; Q1754-D1758 WeakPolarHBondContact O-CB 3.46Å; Q1754-D1758 PolarHBondContact O-N 3.12Å |
| 1755 | S | 71 | Confident | 70.6 | Confident | 75 Ų | 75 | 92.5 Ų | 92.5 | 52% | 0.524 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -82.9 | -26.1 | 157 | -166.5 | 0 | 0 | 0 | 0 | 110.2 | E1751 A1759 | E1751-S1755 WeakPolarHBondContact O-CA 3.48Å; E1751-S1755 WeakPolarHBondContact O-CB 3.45Å; E1751-S1755 PolarHBondContact O-N 2.91Å; S1755-A1759 WeakPolarHBondContact O-CA 3.46Å; S1755-A1759 WeakPolarHBondContact O-CB 3.43Å; S1755-A1759 PolarHBondContact O-N 3.15Å |
| 1756 | A | 72.5 | Confident | 70.5 | Confident | 54 Ų | 54 | 97.4 Ų | 97.4 | 45% | 0.446 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -82.2 | -29.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1752 T1760 | E1752-A1756 WeakPolarHBondContact O-CA 3.45Å; E1752-A1756 WeakPolarHBondContact O-CB 3.3Å; E1752-A1756 PolarHBondContact O-N 2.63Å; A1756-T1760 WeakPolarHBondContact O-CA 3.46Å; A1756-T1760 WeakPolarHBondContact O-CB 3.39Å; A1756-T1760 WeakPolarHBondContact O-CG2 3.24Å; A1756-T1760 PolarHBondContact O-N 3.49Å; A1756-T1760 PolarHBondContact O-OG1 2.72Å |
| 1757 | M | 70.2 | Confident | 70.5 | Confident | 100 Ų | 100 | 95.6 Ų | 95.6 | 49% | 0.493 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -81.3 | -59.2 | 169.5 | -175.9 | 167.9 | 157.2 | 0 | 0 | 109.6 | I1753 A1759 T1760 E1761 | I1753-M1757 VanDerWaalsContact O-CA 3.25Å; I1753-M1757 WeakPolarHBondContact O-CA 3.37Å; I1753-M1757 WeakPolarHBondContact O-CB 3.36Å; I1753-M1757 PolarHBondContact O-N 3.39Å; M1757-A1759 PolarHBondContact O-N 2.92Å; M1757-T1760 CarbonylContact O-C 3.26Å; M1757-T1760 WeakPolarHBondContact O-CA 3.44Å; M1757-T1760 PolarHBondContact O-N 2.84Å; M1757-T1760 PolarHBondContact O-OG1 3.49Å; M1757-E1761 VanDerWaalsContact O-CA 3.3Å; M1757-E1761 WeakPolarHBondContact O-CA 3.48Å; M1757-E1761 WeakPolarHBondContact O-CB 3.26Å; M1757-E1761 PolarHBondContact O-N 2.75Å |
| 1758 | D | 70.5 | Confident | 70.7 | Confident | 67 Ų | 67 | 97.3 Ų | 97.3 | 36% | 0.358 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 0.7 | 173.2 | -44.9 | -30.1 | 0 | 0 | 0 | 113.5 | Q1754 E1762 | Q1754-D1758 WeakPolarHBondContact O-CA 3.29Å; Q1754-D1758 WeakPolarHBondContact O-CB 3.46Å; Q1754-D1758 PolarHBondContact O-N 3.12Å; D1758-E1762 VanDerWaalsContact C-N 3.28Å; D1758-E1762 VanDerWaalsContact O-CA 3.26Å; D1758-E1762 WeakPolarHBondContact O-CA 3.39Å; D1758-E1762 WeakPolarHBondContact O-CB 3.47Å; D1758-E1762 WeakPolarHBondContact O-CG 3.36Å; D1758-E1762 PolarHBondContact O-N 2.88Å |
| 1759 | A | 71.3 | Confident | 70.7 | Confident | 24 Ų | 24 | 95.9 Ų | 95.9 | 20% | 0.198 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 10.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1755 M1757 E1762 R1763 | S1755-A1759 WeakPolarHBondContact O-CA 3.46Å; S1755-A1759 WeakPolarHBondContact O-CB 3.43Å; S1755-A1759 PolarHBondContact O-N 3.15Å; M1757-A1759 PolarHBondContact O-N 2.92Å; A1759-E1762 HydrophobicContact CB-CB 4.46Å; A1759-R1763 WeakPolarHBondContact O-CB 3.36Å; A1759-R1763 WeakPolarHBondContact O-CD 3.42Å; A1759-R1763 WeakPolarHBondContact O-CG 3.37Å; A1759-R1763 PolarHBondContact O-N 3Å; A1759-R1763 VanDerWaalsContact O-N 3.13Å |
| 1760 | T | 71.2 | Confident | 70.8 | Confident | 78 Ų | 78 | 97.3 Ų | 97.3 | 48% | 0.479 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -14.5 | 147.1 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | A1756 M1757 R1763 H1764 | A1756-T1760 WeakPolarHBondContact O-CA 3.46Å; A1756-T1760 WeakPolarHBondContact O-CB 3.39Å; A1756-T1760 WeakPolarHBondContact O-CG2 3.24Å; A1756-T1760 PolarHBondContact O-N 3.49Å; A1756-T1760 PolarHBondContact O-OG1 2.72Å; M1757-T1760 CarbonylContact O-C 3.26Å; M1757-T1760 WeakPolarHBondContact O-CA 3.44Å; M1757-T1760 PolarHBondContact O-N 2.84Å; M1757-T1760 PolarHBondContact O-OG1 3.49Å; T1760-R1763 CarbonylContact O-C 3.4Å; T1760-H1764 WeakPolarHBondContact O-CA 3.43Å; T1760-H1764 VanDerWaalsContact O-CB 3.23Å; T1760-H1764 WeakPolarHBondContact O-CB 3.31Å; T1760-H1764 PolarHBondContact O-N 2.81Å |
| 1761 | E | 69.5 | Low | 70.9 | Confident | 66 Ų | 66 | 97.7 Ų | 97.7 | 31% | 0.308 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -112.5 | -15.8 | 177.3 | -149.5 | -157.2 | -112.6 | 0 | 0 | 111 | M1757 K1765 | M1757-E1761 VanDerWaalsContact O-CA 3.3Å; M1757-E1761 WeakPolarHBondContact O-CA 3.48Å; M1757-E1761 WeakPolarHBondContact O-CB 3.26Å; M1757-E1761 PolarHBondContact O-N 2.75Å; E1761-K1765 VanDerWaalsContact O-CA 3.32Å; E1761-K1765 WeakPolarHBondContact O-CA 3.5Å; E1761-K1765 WeakPolarHBondContact O-CB 3.35Å; E1761-K1765 VanDerWaalsContact O-CD 3.29Å; E1761-K1765 WeakPolarHBondContact O-CD 3.28Å; E1761-K1765 WeakPolarHBondContact O-CG 3.45Å; E1761-K1765 PolarHBondContact O-N 3.43Å; E1761-K1765 WeakPolarHBondContact OE2-CE 3.37Å; E1761-K1765 IonicContact OE2-NZ 2.58Å; E1761-K1765 PolarHBondContact OE2-NZ 3.03Å |
| 1762 | E | 67.8 | Low | 71 | Confident | 80 Ų | 80 | 95.8 Ų | 95.8 | 37% | 0.374 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -85.4 | -19.5 | 142.8 | -78.2 | -163.7 | 95.7 | 0 | 0 | 111.4 | D1758 A1759 H1764 R1766 | D1758-E1762 VanDerWaalsContact C-N 3.28Å; D1758-E1762 VanDerWaalsContact O-CA 3.26Å; D1758-E1762 WeakPolarHBondContact O-CA 3.39Å; D1758-E1762 WeakPolarHBondContact O-CB 3.47Å; D1758-E1762 WeakPolarHBondContact O-CG 3.36Å; D1758-E1762 PolarHBondContact O-N 2.88Å; A1759-E1762 HydrophobicContact CB-CB 4.46Å; E1762-H1764 VanDerWaalsContact C-N 3.33Å; E1762-R1766 HydrophobicContact CB-CG 4.11Å; E1762-R1766 VanDerWaalsContact CD-NE 3.33Å; E1762-R1766 WeakPolarHBondContact O-CA 3.12Å; E1762-R1766 WeakPolarHBondContact O-CB 3.48Å; E1762-R1766 WeakPolarHBondContact O-CD 3.43Å; E1762-R1766 WeakPolarHBondContact O-CG 3.44Å; E1762-R1766 PolarHBondContact O-N 2.87Å; E1762-R1766 IonicContact OE1-CZ 2.7Å; E1762-R1766 IonicContact OE1-NE 2.71Å; E1762-R1766 PolarHBondContact OE1-NE 3.1Å; E1762-R1766 IonicContact OE1-NH2 3.44Å; E1762-R1766 PolarHBondContact OE1-NH2 2.79Å; E1762-R1766 IonicContact OE2-CZ 3.48Å; E1762-R1766 IonicContact OE2-NE 3.54Å; E1762-R1766 IonicContact OE2-NH2 2.61Å; E1762-R1766 PolarHBondContact OE2-NH2 3.34Å |
| 1763 | R | 69.3 | Low | 71.1 | Confident | 190 Ų | 190 | 94.4 Ų | 94.4 | 72% | 0.717 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -73.6 | -29.3 | 159.2 | -75.8 | 166.7 | -169.7 | 167.8 | 3.2 | 110.7 | A1759 T1760 A1767 | A1759-R1763 WeakPolarHBondContact O-CB 3.36Å; A1759-R1763 WeakPolarHBondContact O-CD 3.42Å; A1759-R1763 WeakPolarHBondContact O-CG 3.37Å; A1759-R1763 PolarHBondContact O-N 3Å; A1759-R1763 VanDerWaalsContact O-N 3.13Å; T1760-R1763 CarbonylContact O-C 3.4Å; R1763-A1767 WeakPolarHBondContact O-CA 3.27Å; R1763-A1767 WeakPolarHBondContact O-CB 3.26Å; R1763-A1767 PolarHBondContact O-N 3.1Å |
| 1764 | H | 70.6 | Confident | 71.2 | Confident | 138 Ų | 138 | 92 Ų | 92 | 64% | 0.639 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -81.8 | -35.2 | 171.9 | -111 | -65.9 | 0 | 0 | 0 | 113.3 | T1760 E1762 Y1768 | T1760-H1764 WeakPolarHBondContact O-CA 3.43Å; T1760-H1764 VanDerWaalsContact O-CB 3.23Å; T1760-H1764 WeakPolarHBondContact O-CB 3.31Å; T1760-H1764 PolarHBondContact O-N 2.81Å; E1762-H1764 VanDerWaalsContact C-N 3.33Å; H1764-Y1768 WeakPolarHBondContact O-CA 3.37Å; H1764-Y1768 WeakPolarHBondContact O-CB 3.47Å; H1764-Y1768 PolarHBondContact O-N 3.26Å |
| 1765 | K | 70.7 | Confident | 71.4 | Confident | 118 Ų | 118 | 93.3 Ų | 93.3 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -81.8 | -29.9 | 172.5 | -70.4 | 161.3 | 176 | 157.2 | 0 | 112 | E1761 C1769 | E1761-K1765 VanDerWaalsContact O-CA 3.32Å; E1761-K1765 WeakPolarHBondContact O-CA 3.5Å; E1761-K1765 WeakPolarHBondContact O-CB 3.35Å; E1761-K1765 VanDerWaalsContact O-CD 3.29Å; E1761-K1765 WeakPolarHBondContact O-CD 3.28Å; E1761-K1765 WeakPolarHBondContact O-CG 3.45Å; E1761-K1765 PolarHBondContact O-N 3.43Å; E1761-K1765 WeakPolarHBondContact OE2-CE 3.37Å; E1761-K1765 IonicContact OE2-NZ 2.58Å; E1761-K1765 PolarHBondContact OE2-NZ 3.03Å; K1765-C1769 VanDerWaalsContact O-CA 3.27Å; K1765-C1769 WeakPolarHBondContact O-CA 3.35Å; K1765-C1769 WeakPolarHBondContact O-CB 3.23Å; K1765-C1769 PolarHBondContact O-N 3.12Å; K1765-C1769 PolarHBondContact O-SG 3.41Å |
| 1766 | R | 69 | Low | 71.5 | Confident | 134 Ų | 134 | 93.7 Ų | 93.7 | 51% | 0.506 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -80.8 | -21.5 | 165.9 | -54.5 | 167.4 | -172.4 | 175.6 | 7.2 | 111.9 | E1762 Q1770 | E1762-R1766 HydrophobicContact CB-CG 4.11Å; E1762-R1766 VanDerWaalsContact CD-NE 3.33Å; E1762-R1766 WeakPolarHBondContact O-CA 3.12Å; E1762-R1766 WeakPolarHBondContact O-CB 3.48Å; E1762-R1766 WeakPolarHBondContact O-CD 3.43Å; E1762-R1766 WeakPolarHBondContact O-CG 3.44Å; E1762-R1766 PolarHBondContact O-N 2.87Å; E1762-R1766 IonicContact OE1-CZ 2.7Å; E1762-R1766 IonicContact OE1-NE 2.71Å; E1762-R1766 PolarHBondContact OE1-NE 3.1Å; E1762-R1766 IonicContact OE1-NH2 3.44Å; E1762-R1766 PolarHBondContact OE1-NH2 2.79Å; E1762-R1766 IonicContact OE2-CZ 3.48Å; E1762-R1766 IonicContact OE2-NE 3.54Å; E1762-R1766 IonicContact OE2-NH2 2.61Å; E1762-R1766 PolarHBondContact OE2-NH2 3.34Å; R1766-Q1770 VanDerWaalsContact O-CA 3.31Å; R1766-Q1770 WeakPolarHBondContact O-CA 3.47Å; R1766-Q1770 WeakPolarHBondContact O-CB 3.47Å; R1766-Q1770 WeakPolarHBondContact O-CG 3.36Å; R1766-Q1770 PolarHBondContact O-N 3.49Å; R1766-Q1770 PolarHBondContact O-OE1 3.15Å |
| 1767 | A | 72.2 | Confident | 71.5 | Confident | 49 Ų | 49 | 94.9 Ų | 94.9 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -82.2 | -34.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1763 Q1770 M1771 | R1763-A1767 WeakPolarHBondContact O-CA 3.27Å; R1763-A1767 WeakPolarHBondContact O-CB 3.26Å; R1763-A1767 PolarHBondContact O-N 3.1Å; A1767-Q1770 CarbonylContact O-C 3.52Å; A1767-Q1770 PolarHBondContact O-N 2.84Å; A1767-M1771 WeakPolarHBondContact O-CB 3.18Å; A1767-M1771 PolarHBondContact O-N 2.99Å |
| 1768 | Y | 73.8 | Confident | 71.6 | Confident | 118 Ų | 118 | 95 Ų | 95 | 46% | 0.463 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -77.4 | -37.8 | 174.9 | -173.2 | -85.7 | 0 | 0 | 0 | 110.8 | H1764 M1771 E1772 | H1764-Y1768 WeakPolarHBondContact O-CA 3.37Å; H1764-Y1768 WeakPolarHBondContact O-CB 3.47Å; H1764-Y1768 PolarHBondContact O-N 3.26Å; Y1768-M1771 HydrophobicContact CD2-CE 3.81Å; Y1768-M1771 HydrophobicContact CE2-CE 3.79Å; Y1768-M1771 CarbonylContact O-C 3.52Å; Y1768-M1771 PolarHBondContact O-N 2.62Å; Y1768-E1772 HydrophobicContact CD1-CG 4.18Å; Y1768-E1772 HydrophobicContact CE1-CG 3.63Å; Y1768-E1772 WeakPolarHBondContact O-CB 3.14Å; Y1768-E1772 PolarHBondContact O-N 2.77Å; Y1768-E1772 PolarHBondContact OH-OE1 3.1Å |
| 1769 | C | 72.8 | Confident | 71.8 | Confident | 61 Ų | 61 | 94.6 Ų | 94.6 | 41% | 0.412 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -73.1 | -33.6 | 163.9 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | K1765 M1771 Q1773 | K1765-C1769 VanDerWaalsContact O-CA 3.27Å; K1765-C1769 WeakPolarHBondContact O-CA 3.35Å; K1765-C1769 WeakPolarHBondContact O-CB 3.23Å; K1765-C1769 PolarHBondContact O-N 3.12Å; K1765-C1769 PolarHBondContact O-SG 3.41Å; C1769-M1771 PolarHBondContact O-N 2.75Å; C1769-Q1773 WeakPolarHBondContact O-CA 3.4Å; C1769-Q1773 WeakPolarHBondContact O-CB 3.27Å; C1769-Q1773 PolarHBondContact O-N 2.79Å |
| 1770 | Q | 72.6 | Confident | 72 | Confident | 131 Ų | 131 | 96.8 Ų | 96.8 | 61% | 0.612 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.5 | -13.8 | 166.5 | -75.4 | 160.9 | 6.4 | 0 | 0 | 112 | R1766 A1767 A1774 | R1766-Q1770 VanDerWaalsContact O-CA 3.31Å; R1766-Q1770 WeakPolarHBondContact O-CA 3.47Å; R1766-Q1770 WeakPolarHBondContact O-CB 3.47Å; R1766-Q1770 WeakPolarHBondContact O-CG 3.36Å; R1766-Q1770 PolarHBondContact O-N 3.49Å; R1766-Q1770 PolarHBondContact O-OE1 3.15Å; A1767-Q1770 CarbonylContact O-C 3.52Å; A1767-Q1770 PolarHBondContact O-N 2.84Å; Q1770-A1774 WeakPolarHBondContact O-CA 3.31Å; Q1770-A1774 WeakPolarHBondContact O-CB 3.47Å; Q1770-A1774 PolarHBondContact O-N 3Å |
| 1771 | M | 71.3 | Confident | 72 | Confident | 98 Ų | 98 | 98.8 Ų | 98.8 | 48% | 0.483 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -89.6 | -47.2 | 172.5 | -170.7 | -178.2 | 73.5 | 0 | 0 | 111.2 | A1767 Y1768 C1769 Q1773 A1774 Q1775 | A1767-M1771 WeakPolarHBondContact O-CB 3.18Å; A1767-M1771 PolarHBondContact O-N 2.99Å; Y1768-M1771 HydrophobicContact CD2-CE 3.81Å; Y1768-M1771 HydrophobicContact CE2-CE 3.79Å; Y1768-M1771 CarbonylContact O-C 3.52Å; Y1768-M1771 PolarHBondContact O-N 2.62Å; C1769-M1771 PolarHBondContact O-N 2.75Å; M1771-Q1773 VanDerWaalsContact C-N 3.31Å; M1771-A1774 CarbonylContact O-C 3.56Å; M1771-A1774 PolarHBondContact O-N 3.49Å; M1771-Q1775 WeakPolarHBondContact O-CA 3.25Å; M1771-Q1775 WeakPolarHBondContact O-CB 3.5Å; M1771-Q1775 PolarHBondContact O-N 2.94Å |
| 1772 | E | 71.9 | Confident | 72.1 | Confident | 94 Ų | 94 | 102.2 Ų | 102.2 | 44% | 0.439 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.5 | -32.4 | 171.1 | -82.5 | -165.5 | 151 | 0 | 0 | 111.8 | Y1768 Q1775 T1776 | Y1768-E1772 HydrophobicContact CD1-CG 4.18Å; Y1768-E1772 HydrophobicContact CE1-CG 3.63Å; Y1768-E1772 WeakPolarHBondContact O-CB 3.14Å; Y1768-E1772 PolarHBondContact O-N 2.77Å; Y1768-E1772 PolarHBondContact OH-OE1 3.1Å; E1772-Q1775 CarbonylContact O-C 3.58Å; E1772-Q1775 PolarHBondContact O-N 2.78Å; E1772-T1776 VanDerWaalsContact O-CB 3.3Å; E1772-T1776 WeakPolarHBondContact O-CB 3.13Å; E1772-T1776 WeakPolarHBondContact O-CG2 3.46Å; E1772-T1776 PolarHBondContact O-N 2.88Å; E1772-T1776 PolarHBondContact O-OG1 2.79Å |
| 1773 | Q | 74.8 | Confident | 72.4 | Confident | 106 Ų | 106 | 102.7 Ų | 102.7 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -82.2 | -34.8 | 172.4 | -164.6 | 174.6 | -0.8 | 0 | 0 | 110.8 | C1769 M1771 Q1775 T1776 D1777 | C1769-Q1773 WeakPolarHBondContact O-CA 3.4Å; C1769-Q1773 WeakPolarHBondContact O-CB 3.27Å; C1769-Q1773 PolarHBondContact O-N 2.79Å; M1771-Q1773 VanDerWaalsContact C-N 3.31Å; Q1773-Q1775 PolarHBondContact O-N 2.87Å; Q1773-T1776 WeakPolarHBondContact CA-OG1 3.46Å; Q1773-D1777 WeakPolarHBondContact CG-OD2 3.34Å; Q1773-D1777 VanDerWaalsContact O-CA 3.26Å; Q1773-D1777 WeakPolarHBondContact O-CA 2.78Å; Q1773-D1777 WeakPolarHBondContact O-CB 3.35Å; Q1773-D1777 PolarHBondContact O-N 2.89Å |
| 1774 | A | 72.5 | Confident | 72.7 | Confident | 59 Ų | 59 | 96.8 Ų | 96.8 | 49% | 0.488 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68 | -23.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1770 M1771 L1778 | Q1770-A1774 WeakPolarHBondContact O-CA 3.31Å; Q1770-A1774 WeakPolarHBondContact O-CB 3.47Å; Q1770-A1774 PolarHBondContact O-N 3Å; M1771-A1774 CarbonylContact O-C 3.56Å; M1771-A1774 PolarHBondContact O-N 3.49Å; A1774-L1778 WeakPolarHBondContact O-CA 3.16Å; A1774-L1778 WeakPolarHBondContact O-CB 3.36Å; A1774-L1778 PolarHBondContact O-N 3.31Å |
| 1775 | Q | 73.4 | Confident | 72.8 | Confident | 120 Ų | 120 | 95.9 Ų | 95.9 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -88.1 | -32.5 | 179.5 | -174.7 | 170.4 | -12.4 | 0 | 0 | 112.1 | M1771 E1772 Q1773 S1779 | M1771-Q1775 WeakPolarHBondContact O-CA 3.25Å; M1771-Q1775 WeakPolarHBondContact O-CB 3.5Å; M1771-Q1775 PolarHBondContact O-N 2.94Å; E1772-Q1775 CarbonylContact O-C 3.58Å; E1772-Q1775 PolarHBondContact O-N 2.78Å; Q1773-Q1775 PolarHBondContact O-N 2.87Å; Q1775-S1779 WeakPolarHBondContact O-CB 3.4Å; Q1775-S1779 PolarHBondContact O-N 2.85Å |
| 1776 | T | 74.3 | Confident | 72.8 | Confident | 82 Ų | 82 | 95.2 Ų | 95.2 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -81.8 | -36 | 168.6 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | E1772 Q1773 S1779 V1780 | E1772-T1776 VanDerWaalsContact O-CB 3.3Å; E1772-T1776 WeakPolarHBondContact O-CB 3.13Å; E1772-T1776 WeakPolarHBondContact O-CG2 3.46Å; E1772-T1776 PolarHBondContact O-N 2.88Å; E1772-T1776 PolarHBondContact O-OG1 2.79Å; Q1773-T1776 WeakPolarHBondContact CA-OG1 3.46Å; T1776-S1779 CarbonylContact O-C 3.55Å; T1776-S1779 WeakPolarHBondContact O-CA 3.17Å; T1776-S1779 WeakPolarHBondContact O-CB 3.45Å; T1776-S1779 PolarHBondContact O-N 3.33Å; T1776-S1779 VanDerWaalsContact O-N 3.11Å; T1776-V1780 VanDerWaalsContact O-CB 3.27Å; T1776-V1780 WeakPolarHBondContact O-CB 3.35Å; T1776-V1780 VanDerWaalsContact O-CG2 3.23Å; T1776-V1780 WeakPolarHBondContact O-CG2 3.46Å; T1776-V1780 PolarHBondContact O-N 2.86Å |
| 1777 | D | 72.5 | Confident | 73 | Confident | 80 Ų | 80 | 97.4 Ų | 97.4 | 43% | 0.428 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.8 | -30.6 | 165.9 | -66.5 | -16.8 | 0 | 0 | 0 | 111.1 | Q1773 S1779 E1781 | Q1773-D1777 WeakPolarHBondContact CG-OD2 3.34Å; Q1773-D1777 VanDerWaalsContact O-CA 3.26Å; Q1773-D1777 WeakPolarHBondContact O-CA 2.78Å; Q1773-D1777 WeakPolarHBondContact O-CB 3.35Å; Q1773-D1777 PolarHBondContact O-N 2.89Å; D1777-S1779 VanDerWaalsContact C-N 3.33Å; D1777-E1781 WeakPolarHBondContact O-CA 3.49Å; D1777-E1781 WeakPolarHBondContact O-CB 3.42Å; D1777-E1781 WeakPolarHBondContact O-CG 3.35Å; D1777-E1781 PolarHBondContact O-N 2.93Å |
| 1778 | L | 72.4 | Confident | 72.9 | Confident | 101 Ų | 101 | 98.2 Ų | 98.2 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.1 | -28.4 | 167.9 | -179.1 | 66.7 | 0 | 0 | 0 | 111.8 | A1774 K1782 | A1774-L1778 WeakPolarHBondContact O-CA 3.16Å; A1774-L1778 WeakPolarHBondContact O-CB 3.36Å; A1774-L1778 PolarHBondContact O-N 3.31Å; L1778-K1782 VanDerWaalsContact O-CB 3.26Å; L1778-K1782 WeakPolarHBondContact O-CB 3.19Å; L1778-K1782 VanDerWaalsContact O-CG 3.28Å; L1778-K1782 WeakPolarHBondContact O-CG 3.38Å; L1778-K1782 PolarHBondContact O-N 3.04Å |
| 1779 | S | 74.1 | Confident | 72.9 | Confident | 59 Ų | 59 | 96 Ų | 96 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -74.5 | -39 | 172.5 | -165 | 0 | 0 | 0 | 0 | 111.6 | Q1775 T1776 D1777 K1782 N1783 | Q1775-S1779 WeakPolarHBondContact O-CB 3.4Å; Q1775-S1779 PolarHBondContact O-N 2.85Å; T1776-S1779 CarbonylContact O-C 3.55Å; T1776-S1779 WeakPolarHBondContact O-CA 3.17Å; T1776-S1779 WeakPolarHBondContact O-CB 3.45Å; T1776-S1779 PolarHBondContact O-N 3.33Å; T1776-S1779 VanDerWaalsContact O-N 3.11Å; D1777-S1779 VanDerWaalsContact C-N 3.33Å; S1779-K1782 PolarHBondContact O-N 3.05Å; S1779-N1783 WeakPolarHBondContact O-CB 3.39Å; S1779-N1783 PolarHBondContact O-N 2.93Å; S1779-N1783 PolarHBondContact O-ND2 2.79Å |
| 1780 | V | 76.2 | Confident | 72.9 | Confident | 71 Ų | 71 | 97.4 Ų | 97.4 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -76.3 | -38.5 | 177.8 | 168.4 | 0 | 0 | 0 | 0 | 109.8 | T1776 N1783 N1784 | T1776-V1780 VanDerWaalsContact O-CB 3.27Å; T1776-V1780 WeakPolarHBondContact O-CB 3.35Å; T1776-V1780 VanDerWaalsContact O-CG2 3.23Å; T1776-V1780 WeakPolarHBondContact O-CG2 3.46Å; T1776-V1780 PolarHBondContact O-N 2.86Å; V1780-N1783 CarbonylContact O-C 3.57Å; V1780-N1783 PolarHBondContact O-N 2.99Å; V1780-N1784 WeakPolarHBondContact CG1-ND2 3.49Å; V1780-N1784 WeakPolarHBondContact O-CA 3.42Å; V1780-N1784 WeakPolarHBondContact O-CB 3.2Å; V1780-N1784 PolarHBondContact O-N 3.1Å; V1780-N1784 PolarHBondContact O-ND2 2.81Å |
| 1781 | E | 70.3 | Confident | 72.9 | Confident | 120 Ų | 120 | 96.9 Ų | 96.9 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.6 | -43.8 | 164.4 | -90 | -77.8 | 108.5 | 0 | 0 | 110.4 | D1777 N1783 N1784 F1785 | D1777-E1781 WeakPolarHBondContact O-CA 3.49Å; D1777-E1781 WeakPolarHBondContact O-CB 3.42Å; D1777-E1781 WeakPolarHBondContact O-CG 3.35Å; D1777-E1781 PolarHBondContact O-N 2.93Å; E1781-N1783 VanDerWaalsContact C-N 3.34Å; E1781-N1783 PolarHBondContact O-N 3.05Å; E1781-N1784 PolarHBondContact O-N 3.23Å; E1781-F1785 WeakPolarHBondContact O-CA 3.3Å; E1781-F1785 WeakPolarHBondContact O-CB 3.49Å; E1781-F1785 PolarHBondContact O-N 2.89Å |
| 1782 | K | 71.9 | Confident | 72.9 | Confident | 138 Ų | 138 | 96.2 Ų | 96.2 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.4 | -40.5 | 175.1 | -86.3 | 179.7 | 173.9 | 179.6 | 0 | 112.5 | L1778 S1779 L1786 | L1778-K1782 VanDerWaalsContact O-CB 3.26Å; L1778-K1782 WeakPolarHBondContact O-CB 3.19Å; L1778-K1782 VanDerWaalsContact O-CG 3.28Å; L1778-K1782 WeakPolarHBondContact O-CG 3.38Å; L1778-K1782 PolarHBondContact O-N 3.04Å; S1779-K1782 PolarHBondContact O-N 3.05Å; K1782-L1786 WeakPolarHBondContact O-CB 3.4Å; K1782-L1786 WeakPolarHBondContact O-CD1 3.47Å; K1782-L1786 WeakPolarHBondContact O-CG 3.43Å; K1782-L1786 PolarHBondContact O-N 2.84Å |
| 1783 | N | 74.9 | Confident | 72.9 | Confident | 89 Ų | 89 | 95.7 Ų | 95.7 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -76 | -33 | 178.3 | -79.6 | -73.6 | 0 | 0 | 0 | 113.1 | S1779 V1780 E1781 R1787 | S1779-N1783 WeakPolarHBondContact O-CB 3.39Å; S1779-N1783 PolarHBondContact O-N 2.93Å; S1779-N1783 PolarHBondContact O-ND2 2.79Å; V1780-N1783 CarbonylContact O-C 3.57Å; V1780-N1783 PolarHBondContact O-N 2.99Å; E1781-N1783 VanDerWaalsContact C-N 3.34Å; E1781-N1783 PolarHBondContact O-N 3.05Å; N1783-R1787 WeakPolarHBondContact O-CB 3.31Å; N1783-R1787 WeakPolarHBondContact O-CG 3.15Å; N1783-R1787 PolarHBondContact O-N 2.97Å |
| 1784 | N | 73.9 | Confident | 72.8 | Confident | 67 Ų | 67 | 93.7 Ų | 93.7 | 36% | 0.358 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -77.4 | -37.8 | 175.4 | -73.1 | -12.7 | 0 | 0 | 0 | 110.5 | V1780 E1781 R1787 S1788 | V1780-N1784 WeakPolarHBondContact CG1-ND2 3.49Å; V1780-N1784 WeakPolarHBondContact O-CA 3.42Å; V1780-N1784 WeakPolarHBondContact O-CB 3.2Å; V1780-N1784 PolarHBondContact O-N 3.1Å; V1780-N1784 PolarHBondContact O-ND2 2.81Å; E1781-N1784 PolarHBondContact O-N 3.23Å; N1784-R1787 CarbonylContact O-C 3.56Å; N1784-R1787 PolarHBondContact O-N 2.99Å; N1784-S1788 WeakPolarHBondContact O-CA 3.47Å; N1784-S1788 WeakPolarHBondContact O-CB 3.34Å; N1784-S1788 PolarHBondContact O-N 3.42Å; N1784-S1788 PolarHBondContact O-OG 3.31Å |
| 1785 | F | 72.9 | Confident | 72.6 | Confident | 118 Ų | 118 | 95.5 Ų | 95.5 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 168.4 | -177.2 | -91.1 | 0 | 0 | 0 | 110.2 | E1781 R1787 S1788 E1789 | E1781-F1785 WeakPolarHBondContact O-CA 3.3Å; E1781-F1785 WeakPolarHBondContact O-CB 3.49Å; E1781-F1785 PolarHBondContact O-N 2.89Å; F1785-R1787 PolarHBondContact O-N 2.87Å; F1785-S1788 PolarHBondContact O-N 3.16Å; F1785-E1789 VanDerWaalsContact CE1-OE2 3.31Å; F1785-E1789 WeakPolarHBondContact CE1-OE2 3.08Å; F1785-E1789 WeakPolarHBondContact O-CA 3.46Å; F1785-E1789 WeakPolarHBondContact O-CB 3.16Å; F1785-E1789 PolarHBondContact O-N 2.88Å |
| 1786 | L | 71.8 | Confident | 72.5 | Confident | 105 Ų | 105 | 94.4 Ų | 94.4 | 55% | 0.55 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 172.4 | -82.8 | 163.8 | 0 | 0 | 0 | 112.5 | K1782 C1790 | K1782-L1786 WeakPolarHBondContact O-CB 3.4Å; K1782-L1786 WeakPolarHBondContact O-CD1 3.47Å; K1782-L1786 WeakPolarHBondContact O-CG 3.43Å; K1782-L1786 PolarHBondContact O-N 2.84Å; L1786-C1790 WeakPolarHBondContact O-CB 3.28Å; L1786-C1790 PolarHBondContact O-N 2.78Å; L1786-C1790 PolarHBondContact O-SG 3.07Å; L1786-C1790 VanDerWaalsContact O-SG 3.36Å |
| 1787 | R | 73 | Confident | 72.3 | Confident | 179 Ų | 179 | 96.9 Ų | 96.9 | 68% | 0.675 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68 | -45.3 | 176.7 | -82.5 | 178.8 | 168.1 | -176.7 | -2.3 | 113.1 | N1783 N1784 F1785 E1789 C1790 Q1791 | N1783-R1787 WeakPolarHBondContact O-CB 3.31Å; N1783-R1787 WeakPolarHBondContact O-CG 3.15Å; N1783-R1787 PolarHBondContact O-N 2.97Å; N1784-R1787 CarbonylContact O-C 3.56Å; N1784-R1787 PolarHBondContact O-N 2.99Å; F1785-R1787 PolarHBondContact O-N 2.87Å; R1787-E1789 VanDerWaalsContact C-N 3.34Å; R1787-C1790 CarbonylContact O-C 3.59Å; R1787-C1790 PolarHBondContact O-N 3.47Å; R1787-Q1791 WeakPolarHBondContact O-CB 3.31Å; R1787-Q1791 WeakPolarHBondContact O-CG 3.4Å; R1787-Q1791 PolarHBondContact O-N 2.8Å |
| 1788 | S | 70.3 | Confident | 72.2 | Confident | 67 Ų | 67 | 97.9 Ų | 97.9 | 47% | 0.469 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.9 | -26.9 | 178.7 | -65.9 | 0 | 0 | 0 | 0 | 111.8 | N1784 F1785 R1792 | N1784-S1788 WeakPolarHBondContact O-CA 3.47Å; N1784-S1788 WeakPolarHBondContact O-CB 3.34Å; N1784-S1788 PolarHBondContact O-N 3.42Å; N1784-S1788 PolarHBondContact O-OG 3.31Å; F1785-S1788 PolarHBondContact O-N 3.16Å; S1788-R1792 WeakPolarHBondContact O-CA 3.4Å; S1788-R1792 WeakPolarHBondContact O-CB 3.07Å; S1788-R1792 PolarHBondContact O-N 3.37Å |
| 1789 | E | 72.4 | Confident | 72.1 | Confident | 70 Ų | 70 | 96.1 Ų | 96.1 | 33% | 0.327 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.6 | -42.7 | 169 | -175.2 | 125.3 | -101.6 | 0 | 0 | 110.7 | F1785 R1787 Q1791 R1792 V1793 | F1785-E1789 VanDerWaalsContact CE1-OE2 3.31Å; F1785-E1789 WeakPolarHBondContact CE1-OE2 3.08Å; F1785-E1789 WeakPolarHBondContact O-CA 3.46Å; F1785-E1789 WeakPolarHBondContact O-CB 3.16Å; F1785-E1789 PolarHBondContact O-N 2.88Å; R1787-E1789 VanDerWaalsContact C-N 3.34Å; E1789-Q1791 PolarHBondContact O-N 3.2Å; E1789-R1792 PolarHBondContact O-N 2.92Å; E1789-R1792 IonicContact OE1-CZ 3.38Å; E1789-R1792 IonicContact OE1-NE 2.63Å; E1789-R1792 PolarHBondContact OE1-NE 2.6Å; E1789-R1792 IonicContact OE1-NH2 2.65Å; E1789-R1792 PolarHBondContact OE1-NH2 2.97Å; E1789-V1793 WeakPolarHBondContact O-CB 3.11Å; E1789-V1793 WeakPolarHBondContact O-CG2 3.38Å; E1789-V1793 PolarHBondContact O-N 2.83Å |
| 1790 | C | 72.6 | Confident | 72.1 | Confident | 91 Ų | 91 | 99.8 Ų | 99.8 | 62% | 0.615 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.2 | -41.9 | 169.7 | -76.3 | 0 | 0 | 0 | 0 | 112.5 | L1786 R1787 V1793 S1794 | L1786-C1790 WeakPolarHBondContact O-CB 3.28Å; L1786-C1790 PolarHBondContact O-N 2.78Å; L1786-C1790 PolarHBondContact O-SG 3.07Å; L1786-C1790 VanDerWaalsContact O-SG 3.36Å; R1787-C1790 CarbonylContact O-C 3.59Å; R1787-C1790 PolarHBondContact O-N 3.47Å; C1790-V1793 PolarHBondContact O-N 3.41Å; C1790-S1794 WeakPolarHBondContact O-CB 3.4Å; C1790-S1794 PolarHBondContact O-N 3.26Å |
| 1791 | Q | 74 | Confident | 72 | Confident | 121 Ų | 121 | 100.8 Ų | 100.8 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69 | -37.8 | 174.5 | -77.8 | 179.8 | -34.3 | 0 | 0 | 111.5 | R1787 E1789 S1794 L1795 | R1787-Q1791 WeakPolarHBondContact O-CB 3.31Å; R1787-Q1791 WeakPolarHBondContact O-CG 3.4Å; R1787-Q1791 PolarHBondContact O-N 2.8Å; E1789-Q1791 PolarHBondContact O-N 3.2Å; Q1791-S1794 CarbonylContact O-C 3.02Å; Q1791-S1794 WeakPolarHBondContact O-CB 2.78Å; Q1791-S1794 PolarHBondContact O-N 2.96Å; Q1791-L1795 VanDerWaalsContact O-CB 3.29Å; Q1791-L1795 WeakPolarHBondContact O-CB 3.28Å; Q1791-L1795 VanDerWaalsContact O-CG 3.3Å; Q1791-L1795 WeakPolarHBondContact O-CG 3.23Å; Q1791-L1795 PolarHBondContact O-N 3.29Å |
| 1792 | R | 71.3 | Confident | 71.9 | Confident | 83 Ų | 83 | 100.2 Ų | 100.2 | 31% | 0.313 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 172.7 | 178.8 | -176.7 | 73.5 | 74.7 | -0.1 | 110.9 | S1788 E1789 S1794 L1795 E1796 | S1788-R1792 WeakPolarHBondContact O-CA 3.4Å; S1788-R1792 WeakPolarHBondContact O-CB 3.07Å; S1788-R1792 PolarHBondContact O-N 3.37Å; E1789-R1792 PolarHBondContact O-N 2.92Å; E1789-R1792 IonicContact OE1-CZ 3.38Å; E1789-R1792 IonicContact OE1-NE 2.63Å; E1789-R1792 PolarHBondContact OE1-NE 2.6Å; E1789-R1792 IonicContact OE1-NH2 2.65Å; E1789-R1792 PolarHBondContact OE1-NH2 2.97Å; R1792-S1794 VanDerWaalsContact C-N 3.3Å; R1792-S1794 PolarHBondContact O-N 2.99Å; R1792-L1795 PolarHBondContact O-N 3.38Å; R1792-E1796 WeakPolarHBondContact CD-OE1 3.36Å; R1792-E1796 HydrophobicContact CG-CG 4.26Å; R1792-E1796 WeakPolarHBondContact CG-OE1 3.39Å; R1792-E1796 IonicContact CZ-OE1 3.39Å; R1792-E1796 IonicContact NE-OE1 3.25Å; R1792-E1796 IonicContact NH1-OE1 3.22Å; R1792-E1796 PolarHBondContact NH1-OE1 3.44Å; R1792-E1796 IonicContact NH1-OE2 3.56Å; R1792-E1796 PolarHBondContact NH1-OE2 2.9Å; R1792-E1796 VanDerWaalsContact O-CB 3.27Å; R1792-E1796 WeakPolarHBondContact O-CB 2.97Å; R1792-E1796 WeakPolarHBondContact O-CG 3.46Å; R1792-E1796 PolarHBondContact O-N 3.19Å |
| 1793 | V | 72 | Confident | 71.8 | Confident | 84 Ų | 84 | 100.3 Ų | 100.3 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -35.8 | 176.3 | 170.9 | 0 | 0 | 0 | 0 | 111 | E1789 C1790 K1797 | E1789-V1793 WeakPolarHBondContact O-CB 3.11Å; E1789-V1793 WeakPolarHBondContact O-CG2 3.38Å; E1789-V1793 PolarHBondContact O-N 2.83Å; C1790-V1793 PolarHBondContact O-N 3.41Å; V1793-K1797 WeakPolarHBondContact O-CB 3.47Å; V1793-K1797 PolarHBondContact O-N 3.43Å; V1793-K1797 VanDerWaalsContact O-N 3.11Å |
| 1794 | S | 71.1 | Confident | 71.5 | Confident | 64 Ų | 64 | 100.2 Ų | 100.2 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 173 | -171.2 | 0 | 0 | 0 | 0 | 112.6 | C1790 Q1791 R1792 K1797 Q1798 | C1790-S1794 WeakPolarHBondContact O-CB 3.4Å; C1790-S1794 PolarHBondContact O-N 3.26Å; Q1791-S1794 CarbonylContact O-C 3.02Å; Q1791-S1794 WeakPolarHBondContact O-CB 2.78Å; Q1791-S1794 PolarHBondContact O-N 2.96Å; R1792-S1794 VanDerWaalsContact C-N 3.3Å; R1792-S1794 PolarHBondContact O-N 2.99Å; S1794-K1797 PolarHBondContact O-N 2.92Å; S1794-Q1798 WeakPolarHBondContact O-CG 3.26Å; S1794-Q1798 PolarHBondContact O-N 3.5Å |
| 1795 | L | 70.1 | Confident | 71.3 | Confident | 97 Ų | 97 | 104.2 Ų | 104.2 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.6 | -39.4 | 179.9 | -74.9 | 166.9 | 0 | 0 | 0 | 112.1 | Q1791 R1792 K1797 Q1798 V1799 | Q1791-L1795 VanDerWaalsContact O-CB 3.29Å; Q1791-L1795 WeakPolarHBondContact O-CB 3.28Å; Q1791-L1795 VanDerWaalsContact O-CG 3.3Å; Q1791-L1795 WeakPolarHBondContact O-CG 3.23Å; Q1791-L1795 PolarHBondContact O-N 3.29Å; R1792-L1795 PolarHBondContact O-N 3.38Å; L1795-K1797 VanDerWaalsContact C-N 3.25Å; L1795-K1797 PolarHBondContact O-N 3.45Å; L1795-Q1798 PolarHBondContact O-N 3.06Å; L1795-V1799 VanDerWaalsContact O-CB 3.29Å; L1795-V1799 WeakPolarHBondContact O-CB 3.32Å; L1795-V1799 VanDerWaalsContact O-CG2 3.26Å; L1795-V1799 WeakPolarHBondContact O-CG2 3.35Å; L1795-V1799 PolarHBondContact O-N 3.3Å |
| 1796 | E | 70.4 | Confident | 70.7 | Confident | 96 Ų | 96 | 101.4 Ų | 101.4 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -35.4 | 172 | -77.2 | 172.7 | -166.7 | 0 | 0 | 110.9 | R1792 K1800 | R1792-E1796 WeakPolarHBondContact CD-OE1 3.36Å; R1792-E1796 HydrophobicContact CG-CG 4.26Å; R1792-E1796 WeakPolarHBondContact CG-OE1 3.39Å; R1792-E1796 IonicContact CZ-OE1 3.39Å; R1792-E1796 IonicContact NE-OE1 3.25Å; R1792-E1796 IonicContact NH1-OE1 3.22Å; R1792-E1796 PolarHBondContact NH1-OE1 3.44Å; R1792-E1796 IonicContact NH1-OE2 3.56Å; R1792-E1796 PolarHBondContact NH1-OE2 2.9Å; R1792-E1796 VanDerWaalsContact O-CB 3.27Å; R1792-E1796 WeakPolarHBondContact O-CB 2.97Å; R1792-E1796 WeakPolarHBondContact O-CG 3.46Å; R1792-E1796 PolarHBondContact O-N 3.19Å; E1796-K1800 VanDerWaalsContact O-CB 3.26Å; E1796-K1800 WeakPolarHBondContact O-CB 3.2Å; E1796-K1800 PolarHBondContact O-N 3.44Å |
| 1797 | K | 70.2 | Confident | 70.6 | Confident | 135 Ų | 135 | 99.7 Ų | 99.7 | 59% | 0.587 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.3 | -44.4 | 171.8 | -167.2 | 178.7 | 178.3 | -172.8 | 0 | 112.1 | V1793 S1794 L1795 K1800 E1801 | V1793-K1797 WeakPolarHBondContact O-CB 3.47Å; V1793-K1797 PolarHBondContact O-N 3.43Å; V1793-K1797 VanDerWaalsContact O-N 3.11Å; S1794-K1797 PolarHBondContact O-N 2.92Å; L1795-K1797 VanDerWaalsContact C-N 3.25Å; L1795-K1797 PolarHBondContact O-N 3.45Å; K1797-K1800 PolarHBondContact O-N 3.37Å; K1797-E1801 WeakPolarHBondContact CE-OE1 3.44Å; K1797-E1801 WeakPolarHBondContact O-CG 3.25Å; K1797-E1801 PolarHBondContact O-N 3.37Å |
| 1798 | Q | 71.1 | Confident | 70.3 | Confident | 101 Ų | 101 | 97.2 Ų | 97.2 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 176.1 | -74.8 | -178 | -4.2 | 0 | 0 | 112.9 | S1794 L1795 K1800 E1801 L1802 | S1794-Q1798 WeakPolarHBondContact O-CG 3.26Å; S1794-Q1798 PolarHBondContact O-N 3.5Å; L1795-Q1798 PolarHBondContact O-N 3.06Å; Q1798-K1800 VanDerWaalsContact C-N 3.29Å; Q1798-K1800 PolarHBondContact O-N 3.46Å; Q1798-E1801 PolarHBondContact O-N 2.62Å; Q1798-L1802 WeakPolarHBondContact O-CB 3.42Å; Q1798-L1802 VanDerWaalsContact O-CG 3.27Å; Q1798-L1802 WeakPolarHBondContact O-CG 3.38Å; Q1798-L1802 PolarHBondContact O-N 3.41Å |
| 1799 | V | 69.3 | Low | 70 | Confident | 64 Ų | 64 | 98.3 Ų | 98.3 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.3 | -33.9 | 174.8 | 168.9 | 0 | 0 | 0 | 0 | 110.6 | L1795 R1803 | L1795-V1799 VanDerWaalsContact O-CB 3.29Å; L1795-V1799 WeakPolarHBondContact O-CB 3.32Å; L1795-V1799 VanDerWaalsContact O-CG2 3.26Å; L1795-V1799 WeakPolarHBondContact O-CG2 3.35Å; L1795-V1799 PolarHBondContact O-N 3.3Å; V1799-R1803 WeakPolarHBondContact O-CB 3.44Å; V1799-R1803 WeakPolarHBondContact O-CG 3.38Å; V1799-R1803 PolarHBondContact O-N 2.85Å |
| 1800 | K | 73.9 | Confident | 69.4 | Low | 135 Ų | 135 | 101.9 Ų | 101.9 | 59% | 0.587 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67 | -50.5 | 170.6 | -170.5 | 174.6 | 179.7 | -177.5 | 0 | 111.5 | E1796 K1797 Q1798 L1802 R1803 D1804 | E1796-K1800 VanDerWaalsContact O-CB 3.26Å; E1796-K1800 WeakPolarHBondContact O-CB 3.2Å; E1796-K1800 PolarHBondContact O-N 3.44Å; K1797-K1800 PolarHBondContact O-N 3.37Å; Q1798-K1800 VanDerWaalsContact C-N 3.29Å; Q1798-K1800 PolarHBondContact O-N 3.46Å; K1800-L1802 PolarHBondContact O-N 3.15Å; K1800-R1803 PolarHBondContact O-N 2.95Å; K1800-R1803 VanDerWaalsContact O-N 3.12Å; K1800-D1804 WeakPolarHBondContact O-CB 3.34Å; K1800-D1804 VanDerWaalsContact O-CG 3.27Å; K1800-D1804 PolarHBondContact O-N 3.33Å |
| 1801 | E | 73.8 | Confident | 68.7 | Low | 93 Ų | 93 | 105.4 Ų | 105.4 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.1 | -34.5 | 175.2 | -73.9 | 175.2 | -164.8 | 0 | 0 | 112.6 | K1797 Q1798 R1805 | K1797-E1801 WeakPolarHBondContact CE-OE1 3.44Å; K1797-E1801 WeakPolarHBondContact O-CG 3.25Å; K1797-E1801 PolarHBondContact O-N 3.37Å; Q1798-E1801 PolarHBondContact O-N 2.62Å; E1801-R1805 WeakPolarHBondContact O-CB 3.36Å; E1801-R1805 VanDerWaalsContact O-CG 3.26Å; E1801-R1805 WeakPolarHBondContact O-CG 3.41Å; E1801-R1805 PolarHBondContact O-N 2.97Å |
| 1802 | L | 68.9 | Low | 67.8 | Low | 108 Ų | 108 | 107.4 Ų | 107.4 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -76.1 | -34.3 | 175.4 | -73.4 | 171.8 | 0 | 0 | 0 | 113.2 | Q1798 K1800 L1806 | Q1798-L1802 WeakPolarHBondContact O-CB 3.42Å; Q1798-L1802 VanDerWaalsContact O-CG 3.27Å; Q1798-L1802 WeakPolarHBondContact O-CG 3.38Å; Q1798-L1802 PolarHBondContact O-N 3.41Å; K1800-L1802 PolarHBondContact O-N 3.15Å; L1802-L1806 WeakPolarHBondContact O-CB 3.47Å; L1802-L1806 PolarHBondContact O-N 3.04Å |
| 1803 | R | 69.2 | Low | 66.5 | Low | 140 Ų | 140 | 107.1 Ų | 107.1 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.8 | -42.7 | 171.6 | -81.4 | -179.4 | 172.1 | 147.1 | 3 | 111.8 | V1799 K1800 R1805 L1806 V1807 | V1799-R1803 WeakPolarHBondContact O-CB 3.44Å; V1799-R1803 WeakPolarHBondContact O-CG 3.38Å; V1799-R1803 PolarHBondContact O-N 2.85Å; K1800-R1803 PolarHBondContact O-N 2.95Å; K1800-R1803 VanDerWaalsContact O-N 3.12Å; R1803-R1805 VanDerWaalsContact C-N 3.33Å; R1803-R1805 PolarHBondContact O-N 2.89Å; R1803-L1806 PolarHBondContact O-N 3.24Å; R1803-L1806 VanDerWaalsContact O-N 3.16Å; R1803-V1807 WeakPolarHBondContact O-CG2 3.44Å; R1803-V1807 PolarHBondContact O-N 3.38Å |
| 1804 | D | 69.7 | Low | 65.3 | Low | 87 Ų | 87 | 106 Ų | 106 | 47% | 0.465 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 175.6 | -67.1 | -23.1 | 0 | 0 | 0 | 109.7 | K1800 V1807 E1808 | K1800-D1804 WeakPolarHBondContact O-CB 3.34Å; K1800-D1804 VanDerWaalsContact O-CG 3.27Å; K1800-D1804 PolarHBondContact O-N 3.33Å; D1804-V1807 PolarHBondContact O-N 3.27Å; D1804-E1808 PolarHBondContact O-N 3.11Å |
| 1805 | R | 69.3 | Low | 64.7 | Low | 150 Ų | 150 | 114.8 Ų | 114.8 | 57% | 0.566 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.5 | -35.6 | 171.3 | -78.7 | 176.9 | 177.6 | 168.2 | 4.7 | 114.5 | E1801 R1803 V1807 E1808 V1809 | E1801-R1805 WeakPolarHBondContact O-CB 3.36Å; E1801-R1805 VanDerWaalsContact O-CG 3.26Å; E1801-R1805 WeakPolarHBondContact O-CG 3.41Å; E1801-R1805 PolarHBondContact O-N 2.97Å; R1803-R1805 VanDerWaalsContact C-N 3.33Å; R1803-R1805 PolarHBondContact O-N 2.89Å; R1805-V1807 VanDerWaalsContact C-N 3.33Å; R1805-E1808 PolarHBondContact O-N 3.44Å; R1805-V1809 WeakPolarHBondContact O-CG2 3.47Å; R1805-V1809 PolarHBondContact O-N 2.95Å |
| 1806 | L | 60 | Low | 63.9 | Low | 60 Ų | 60 | 121.1 Ų | 121.1 | 31% | 0.314 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.7 | -43.3 | 175.6 | -166.2 | 75.9 | 0 | 0 | 0 | 110 | L1802 R1803 E1808 V1809 E1810 L1828 | L1802-L1806 WeakPolarHBondContact O-CB 3.47Å; L1802-L1806 PolarHBondContact O-N 3.04Å; R1803-L1806 PolarHBondContact O-N 3.24Å; R1803-L1806 VanDerWaalsContact O-N 3.16Å; L1806-E1808 VanDerWaalsContact C-N 3.31Å; L1806-E1808 PolarHBondContact O-N 2.99Å; L1806-V1809 PolarHBondContact O-N 3.17Å; L1806-E1810 WeakPolarHBondContact O-CB 3.16Å; L1806-E1810 WeakPolarHBondContact O-CG 3.38Å; L1806-E1810 PolarHBondContact O-N 3.4Å; L1806-L1828 HydrophobicContact CD1-CD1 4.44Å; L1806-L1828 HydrophobicContact CD2-CD1 3.9Å |
| 1807 | V | 70.3 | Confident | 63.4 | Low | 69 Ų | 69 | 117.6 Ų | 117.6 | 42% | 0.418 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.9 | -28.7 | 176.1 | 172 | 0 | 0 | 0 | 0 | 112.5 | R1803 D1804 R1805 K1811 | R1803-V1807 WeakPolarHBondContact O-CG2 3.44Å; R1803-V1807 PolarHBondContact O-N 3.38Å; D1804-V1807 PolarHBondContact O-N 3.27Å; R1805-V1807 VanDerWaalsContact C-N 3.33Å; V1807-K1811 WeakPolarHBondContact O-CD 3.47Å; V1807-K1811 VanDerWaalsContact O-CG 3.3Å; V1807-K1811 WeakPolarHBondContact O-CG 3.49Å; V1807-K1811 PolarHBondContact O-N 3.4Å |
| 1808 | E | 66.4 | Low | 62.8 | Low | 126 Ų | 126 | 119.5 Ų | 119.5 | 59% | 0.589 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.2 | -50.1 | 167.5 | -71.4 | -178.8 | 140.7 | 0 | 0 | 111.6 | D1804 R1805 L1806 E1810 K1811 E1812 | D1804-E1808 PolarHBondContact O-N 3.11Å; R1805-E1808 PolarHBondContact O-N 3.44Å; L1806-E1808 VanDerWaalsContact C-N 3.31Å; L1806-E1808 PolarHBondContact O-N 2.99Å; E1808-E1810 VanDerWaalsContact C-N 3.34Å; E1808-E1810 PolarHBondContact O-N 2.97Å; E1808-K1811 WeakPolarHBondContact O-CB 3.42Å; E1808-K1811 PolarHBondContact O-N 3.4Å; E1808-E1812 PolarHBondContact O-N 3.1Å |
| 1809 | V | 62.8 | Low | 62.4 | Low | 91 Ų | 91 | 118 Ų | 118 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.8 | -31.8 | -178.6 | 172.7 | 0 | 0 | 0 | 0 | 112.8 | R1805 L1806 K1811 E1812 | R1805-V1809 WeakPolarHBondContact O-CG2 3.47Å; R1805-V1809 PolarHBondContact O-N 2.95Å; L1806-V1809 PolarHBondContact O-N 3.17Å; V1809-K1811 VanDerWaalsContact C-N 3.33Å; V1809-E1812 PolarHBondContact O-N 2.82Å |
| 1810 | E | 60.2 | Low | 62.1 | Low | 145 Ų | 145 | 121.6 Ų | 121.6 | 68% | 0.678 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.4 | -28.8 | 171.8 | -75.3 | -170.4 | 139.6 | 0 | 0 | 112.8 | L1806 E1808 | L1806-E1810 WeakPolarHBondContact O-CB 3.16Å; L1806-E1810 WeakPolarHBondContact O-CG 3.38Å; L1806-E1810 PolarHBondContact O-N 3.4Å; E1808-E1810 VanDerWaalsContact C-N 3.34Å; E1808-E1810 PolarHBondContact O-N 2.97Å |
| 1811 | K | 58.3 | Low | 61.7 | Low | 165 Ų | 165 | 118.7 Ų | 118.7 | 72% | 0.717 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -75.1 | -33.7 | 171 | -73.8 | 169.4 | -177 | 168.3 | 0 | 111.9 | V1807 E1808 V1809 G1813 | V1807-K1811 WeakPolarHBondContact O-CD 3.47Å; V1807-K1811 VanDerWaalsContact O-CG 3.3Å; V1807-K1811 WeakPolarHBondContact O-CG 3.49Å; V1807-K1811 PolarHBondContact O-N 3.4Å; E1808-K1811 WeakPolarHBondContact O-CB 3.42Å; E1808-K1811 PolarHBondContact O-N 3.4Å; V1809-K1811 VanDerWaalsContact C-N 3.33Å; K1811-G1813 PolarHBondContact O-N 2.92Å |
| 1812 | E | 56 | Low | 61.6 | Low | 163 Ų | 163 | 116.6 Ų | 116.6 | 76% | 0.762 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -82.9 | 57.3 | 177.2 | -63 | -156.9 | 146 | 0 | 0 | 113.3 | E1808 V1809 G1814 | E1808-E1812 PolarHBondContact O-N 3.1Å; V1809-E1812 PolarHBondContact O-N 2.82Å; E1812-G1814 PolarHBondContact O-N 3.15Å |
| 1813 | G | 44.1 | Very low | 61.8 | Low | 76 Ų | 76 | 115.5 Ų | 115.5 | 78% | 0.784 | 59% | 0.587 | S | S | * | * | trans | -59.8 | 99.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K1811 | K1811-G1813 PolarHBondContact O-N 2.92Š| ||
| 1814 | G | 46.8 | Very low | 61.8 | Low | 60 Ų | 60 | 112.9 Ų | 112.9 | 62% | 0.619 | 58% | 0.583 | S | S | * | * | trans | -123.4 | 33.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 119 | E1812 R1816 | E1812-G1814 PolarHBondContact O-N 3.15Å; G1814-R1816 VanDerWaalsContact C-N 3.27Å; G1814-R1816 PolarHBondContact O-N 3.35Å | ||
| 1815 | R | 57 | Low | 62 | Low | 249 Ų | 249 | 114 Ų | 114 | 94% | 0.94 | 59% | 0.585 | S | S | * | * | S | Bend | trans | 53 | -44.7 | 173.5 | -74.9 | -169.8 | 177.4 | -166 | -0.4 | 120.3 | G1817 | R1815-G1817 PolarHBondContact O-N 3.3Š|
| 1816 | R | 54.2 | Low | 62.3 | Low | 230 Ų | 230 | 109.2 Ų | 109.2 | 87% | 0.868 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -21.4 | 171.3 | -110.7 | -176.8 | 179.1 | 174.6 | -0.1 | 112.2 | G1814 K1818 | G1814-R1816 VanDerWaalsContact C-N 3.27Å; G1814-R1816 PolarHBondContact O-N 3.35Å; R1816-K1818 VanDerWaalsContact C-N 3.31Å; R1816-K1818 PolarHBondContact O-N 3.38Å |
| 1817 | G | 59.2 | Low | 63 | Low | 22 Ų | 22 | 114.3 Ų | 114.3 | 23% | 0.227 | 59% | 0.593 | C | S | . | * | H | α-helix | trans | -43 | -50.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1815 A1819 Q1820 I1821 | R1815-G1817 PolarHBondContact O-N 3.3Å; G1817-A1819 CarbonylContact O-C 3.55Å; G1817-A1819 PolarHBondContact O-N 2.92Å; G1817-Q1820 CarbonylContact O-C 3.51Å; G1817-Q1820 PolarHBondContact O-N 2.76Å; G1817-I1821 WeakPolarHBondContact O-CB 3.46Å; G1817-I1821 WeakPolarHBondContact O-CG1 3.43Å; G1817-I1821 PolarHBondContact O-N 2.79Å |
| 1818 | K | 57.7 | Low | 63 | Low | 176 Ų | 176 | 114.3 Ų | 114.3 | 77% | 0.765 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -47.4 | -31.7 | -166.5 | -77.9 | -154.5 | 170.1 | -159.2 | 0 | 117.5 | R1816 A1822 | R1816-K1818 VanDerWaalsContact C-N 3.31Å; R1816-K1818 PolarHBondContact O-N 3.38Å; K1818-A1822 VanDerWaalsContact O-CB 3.23Å; K1818-A1822 WeakPolarHBondContact O-CB 3.3Å; K1818-A1822 PolarHBondContact O-N 2.88Å |
| 1819 | A | 63.7 | Low | 63.4 | Low | 70 Ų | 70 | 112.1 Ų | 112.1 | 58% | 0.579 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -79.6 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G1817 A1822 T1823 | G1817-A1819 CarbonylContact O-C 3.55Å; G1817-A1819 PolarHBondContact O-N 2.92Å; A1819-A1822 PolarHBondContact O-N 3.2Å; A1819-T1823 PolarHBondContact O-N 3.13Å; A1819-T1823 PolarHBondContact O-OG1 2.93Å |
| 1820 | Q | 62.2 | Low | 64 | Low | 139 Ų | 139 | 111.1 Ų | 111.1 | 65% | 0.65 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -68.4 | -37.6 | 173.3 | -76.3 | 178.5 | -63.9 | 0 | 0 | 111.3 | G1817 T1823 L1824 | G1817-Q1820 CarbonylContact O-C 3.51Å; G1817-Q1820 PolarHBondContact O-N 2.76Å; Q1820-T1823 CarbonylContact O-C 3.57Å; Q1820-T1823 PolarHBondContact O-N 3.29Å; Q1820-L1824 VanDerWaalsContact O-CB 3.22Å; Q1820-L1824 WeakPolarHBondContact O-CB 3.33Å; Q1820-L1824 WeakPolarHBondContact O-CG 3.45Å; Q1820-L1824 PolarHBondContact O-N 3.29Å |
| 1821 | I | 65.2 | Low | 64.7 | Low | 74 Ų | 74 | 108.8 Ų | 108.8 | 38% | 0.379 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -58.2 | -53.1 | 169.1 | -69.2 | 172.2 | 0 | 0 | 0 | 108.8 | G1817 T1823 L1824 E1825 | G1817-I1821 WeakPolarHBondContact O-CB 3.46Å; G1817-I1821 WeakPolarHBondContact O-CG1 3.43Å; G1817-I1821 PolarHBondContact O-N 2.79Å; I1821-T1823 PolarHBondContact O-N 3.47Å; I1821-T1823 VanDerWaalsContact O-N 3.15Å; I1821-L1824 CarbonylContact O-C 3.56Å; I1821-L1824 WeakPolarHBondContact O-CA 3.5Å; I1821-L1824 PolarHBondContact O-N 3.43Å; I1821-E1825 VanDerWaalsContact CG2-CD 3.41Å; I1821-E1825 HydrophobicContact CG2-CG 3.89Å; I1821-E1825 VanDerWaalsContact CG2-OE1 3.32Å; I1821-E1825 WeakPolarHBondContact CG2-OE1 3.47Å; I1821-E1825 VanDerWaalsContact O-CB 3.3Å; I1821-E1825 WeakPolarHBondContact O-CB 3.42Å; I1821-E1825 VanDerWaalsContact O-CG 3.27Å; I1821-E1825 WeakPolarHBondContact O-CG 3.11Å; I1821-E1825 PolarHBondContact O-N 3.48Å |
| 1822 | A | 73 | Confident | 65.3 | Low | 49 Ų | 49 | 104.3 Ų | 104.3 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.9 | -33 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K1818 A1819 E1825 A1826 | K1818-A1822 VanDerWaalsContact O-CB 3.23Å; K1818-A1822 WeakPolarHBondContact O-CB 3.3Å; K1818-A1822 PolarHBondContact O-N 2.88Å; A1819-A1822 PolarHBondContact O-N 3.2Å; A1822-E1825 WeakPolarHBondContact CA-OE2 3.36Å; A1822-A1826 WeakPolarHBondContact O-CB 3.31Å; A1822-A1826 PolarHBondContact O-N 2.68Å |
| 1823 | T | 72.4 | Confident | 66.3 | Low | 84 Ų | 84 | 103.1 Ų | 103.1 | 52% | 0.515 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -76.8 | -30.1 | 175.2 | -40.2 | 0 | 0 | 0 | 0 | 112.3 | A1819 Q1820 I1821 R1827 | A1819-T1823 PolarHBondContact O-N 3.13Å; A1819-T1823 PolarHBondContact O-OG1 2.93Å; Q1820-T1823 CarbonylContact O-C 3.57Å; Q1820-T1823 PolarHBondContact O-N 3.29Å; I1821-T1823 PolarHBondContact O-N 3.47Å; I1821-T1823 VanDerWaalsContact O-N 3.15Å; T1823-R1827 VanDerWaalsContact O-CB 3.28Å; T1823-R1827 WeakPolarHBondContact O-CB 3.21Å; T1823-R1827 WeakPolarHBondContact O-CG 3.28Å; T1823-R1827 PolarHBondContact O-N 3.21Å |
| 1824 | L | 68.7 | Low | 67.6 | Low | 86 Ų | 86 | 105.6 Ų | 105.6 | 45% | 0.45 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -82.7 | -24.8 | 175.1 | -73.2 | 167.9 | 0 | 0 | 0 | 112.1 | Q1820 I1821 R1827 L1828 | Q1820-L1824 VanDerWaalsContact O-CB 3.22Å; Q1820-L1824 WeakPolarHBondContact O-CB 3.33Å; Q1820-L1824 WeakPolarHBondContact O-CG 3.45Å; Q1820-L1824 PolarHBondContact O-N 3.29Å; I1821-L1824 CarbonylContact O-C 3.56Å; I1821-L1824 WeakPolarHBondContact O-CA 3.5Å; I1821-L1824 PolarHBondContact O-N 3.43Å; L1824-R1827 CarbonylContact O-C 3.57Å; L1824-L1828 WeakPolarHBondContact O-CA 3.11Å; L1824-L1828 WeakPolarHBondContact O-CB 3.45Å; L1824-L1828 WeakPolarHBondContact O-CD1 3.17Å; L1824-L1828 WeakPolarHBondContact O-CG 3.49Å; L1824-L1828 PolarHBondContact O-N 3.16Å |
| 1825 | E | 74.9 | Confident | 68.6 | Low | 109 Ų | 109 | 105.2 Ų | 105.2 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -76.6 | -41.5 | 169.6 | -74.8 | 169.5 | 157.8 | 0 | 0 | 109.3 | I1821 A1822 L1828 T1829 | I1821-E1825 VanDerWaalsContact CG2-CD 3.41Å; I1821-E1825 HydrophobicContact CG2-CG 3.89Å; I1821-E1825 VanDerWaalsContact CG2-OE1 3.32Å; I1821-E1825 WeakPolarHBondContact CG2-OE1 3.47Å; I1821-E1825 VanDerWaalsContact O-CB 3.3Å; I1821-E1825 WeakPolarHBondContact O-CB 3.42Å; I1821-E1825 VanDerWaalsContact O-CG 3.27Å; I1821-E1825 WeakPolarHBondContact O-CG 3.11Å; I1821-E1825 PolarHBondContact O-N 3.48Å; A1822-E1825 WeakPolarHBondContact CA-OE2 3.36Å; E1825-L1828 PolarHBondContact O-N 3.12Å; E1825-T1829 WeakPolarHBondContact O-CB 3.44Å; E1825-T1829 WeakPolarHBondContact O-CG2 3.33Å; E1825-T1829 PolarHBondContact O-N 2.88Å; E1825-T1829 PolarHBondContact O-OG1 2.91Å |
| 1826 | A | 75.1 | Confident | 69.5 | Low | 50 Ų | 50 | 97.7 Ų | 97.7 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -37.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1822 T1829 T1830 | A1822-A1826 WeakPolarHBondContact O-CB 3.31Å; A1822-A1826 PolarHBondContact O-N 2.68Å; A1826-T1829 WeakPolarHBondContact CA-OG1 3.47Å; A1826-T1829 PolarHBondContact O-OG1 2.95Å; A1826-T1830 WeakPolarHBondContact O-CB 3.48Å; A1826-T1830 PolarHBondContact O-N 2.95Å; A1826-T1830 PolarHBondContact O-OG1 3.46Å |
| 1827 | R | 74.4 | Confident | 70.4 | Confident | 168 Ų | 168 | 89.2 Ų | 89.2 | 63% | 0.634 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -73.6 | -33.5 | 170.3 | -82.6 | -177.5 | 167.8 | -175.1 | -4.5 | 113.1 | T1823 L1824 T1830 L1831 | T1823-R1827 VanDerWaalsContact O-CB 3.28Å; T1823-R1827 WeakPolarHBondContact O-CB 3.21Å; T1823-R1827 WeakPolarHBondContact O-CG 3.28Å; T1823-R1827 PolarHBondContact O-N 3.21Å; L1824-R1827 CarbonylContact O-C 3.57Å; R1827-T1830 WeakPolarHBondContact CA-OG1 3.28Å; R1827-T1830 PolarHBondContact O-OG1 3.05Å; R1827-L1831 WeakPolarHBondContact O-CA 3.4Å; R1827-L1831 WeakPolarHBondContact O-CB 3.35Å; R1827-L1831 WeakPolarHBondContact O-CD1 3.46Å; R1827-L1831 WeakPolarHBondContact O-CG 3.27Å; R1827-L1831 PolarHBondContact O-N 3.14Å |
| 1828 | L | 70.6 | Confident | 71 | Confident | 68 Ų | 68 | 93.6 Ų | 93.6 | 36% | 0.356 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.8 | -35.5 | 175.1 | -86.4 | 162.9 | 0 | 0 | 0 | 110.8 | L1806 L1824 E1825 L1831 D1832 | L1806-L1828 HydrophobicContact CD1-CD1 4.44Å; L1806-L1828 HydrophobicContact CD2-CD1 3.9Å; L1824-L1828 WeakPolarHBondContact O-CA 3.11Å; L1824-L1828 WeakPolarHBondContact O-CB 3.45Å; L1824-L1828 WeakPolarHBondContact O-CD1 3.17Å; L1824-L1828 WeakPolarHBondContact O-CG 3.49Å; L1824-L1828 PolarHBondContact O-N 3.16Å; E1825-L1828 PolarHBondContact O-N 3.12Å; L1828-L1831 CarbonylContact O-C 3.59Å; L1828-L1831 PolarHBondContact O-N 2.98Å; L1828-D1832 WeakPolarHBondContact O-CA 3.43Å; L1828-D1832 WeakPolarHBondContact O-CB 3.44Å; L1828-D1832 PolarHBondContact O-N 3.46Å |
| 1829 | T | 75.6 | Confident | 71.5 | Confident | 81 Ų | 81 | 88.9 Ų | 88.9 | 50% | 0.497 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -72.4 | -41.3 | 173.2 | 44 | 0 | 0 | 0 | 0 | 111.6 | E1825 A1826 D1832 E1833 | E1825-T1829 WeakPolarHBondContact O-CB 3.44Å; E1825-T1829 WeakPolarHBondContact O-CG2 3.33Å; E1825-T1829 PolarHBondContact O-N 2.88Å; E1825-T1829 PolarHBondContact O-OG1 2.91Å; A1826-T1829 WeakPolarHBondContact CA-OG1 3.47Å; A1826-T1829 PolarHBondContact O-OG1 2.95Å; T1829-D1832 PolarHBondContact O-N 2.81Å; T1829-E1833 VanDerWaalsContact O-CB 3.23Å; T1829-E1833 WeakPolarHBondContact O-CB 3.32Å; T1829-E1833 VanDerWaalsContact O-CG 3.28Å; T1829-E1833 WeakPolarHBondContact O-CG 3.38Å; T1829-E1833 PolarHBondContact O-N 3.19Å |
| 1830 | T | 75.4 | Confident | 72 | Confident | 69 Ų | 69 | 90.4 Ų | 90.4 | 42% | 0.423 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.6 | -28 | 171.3 | 46.4 | 0 | 0 | 0 | 0 | 113.4 | A1826 R1827 Q1834 | A1826-T1830 WeakPolarHBondContact O-CB 3.48Å; A1826-T1830 PolarHBondContact O-N 2.95Å; A1826-T1830 PolarHBondContact O-OG1 3.46Å; R1827-T1830 WeakPolarHBondContact CA-OG1 3.28Å; R1827-T1830 PolarHBondContact O-OG1 3.05Å; T1830-Q1834 WeakPolarHBondContact O-CB 3.3Å; T1830-Q1834 WeakPolarHBondContact O-CG 3.41Å; T1830-Q1834 PolarHBondContact O-N 3.4Å |
| 1831 | L | 73.2 | Confident | 72.5 | Confident | 97 Ų | 97 | 90.7 Ų | 90.7 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -81.7 | -23.9 | 171.7 | -72.4 | 168 | 0 | 0 | 0 | 113.3 | R1827 L1828 L1835 | R1827-L1831 WeakPolarHBondContact O-CA 3.4Å; R1827-L1831 WeakPolarHBondContact O-CB 3.35Å; R1827-L1831 WeakPolarHBondContact O-CD1 3.46Å; R1827-L1831 WeakPolarHBondContact O-CG 3.27Å; R1827-L1831 PolarHBondContact O-N 3.14Å; L1828-L1831 CarbonylContact O-C 3.59Å; L1828-L1831 PolarHBondContact O-N 2.98Å; L1831-L1835 WeakPolarHBondContact O-CA 3.36Å; L1831-L1835 WeakPolarHBondContact O-CB 3.49Å; L1831-L1835 PolarHBondContact O-N 2.81Å |
| 1832 | D | 72.6 | Confident | 72.6 | Confident | 70 Ų | 70 | 91.9 Ų | 91.9 | 37% | 0.374 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -85.8 | -26.3 | 170.8 | -85.7 | -40.2 | 0 | 0 | 0 | 111 | L1828 T1829 E1836 | L1828-D1832 WeakPolarHBondContact O-CA 3.43Å; L1828-D1832 WeakPolarHBondContact O-CB 3.44Å; L1828-D1832 PolarHBondContact O-N 3.46Å; T1829-D1832 PolarHBondContact O-N 2.81Å; D1832-E1836 WeakPolarHBondContact O-CA 3.38Å; D1832-E1836 WeakPolarHBondContact O-CB 3.49Å; D1832-E1836 WeakPolarHBondContact O-CG 3.42Å; D1832-E1836 PolarHBondContact O-N 2.88Å |
| 1833 | E | 76 | Confident | 72.5 | Confident | 139 Ų | 139 | 94 Ų | 94 | 65% | 0.65 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72 | -39.1 | 163.9 | -76.8 | 180 | 163.5 | 0 | 0 | 110.5 | T1829 A1837 | T1829-E1833 VanDerWaalsContact O-CB 3.23Å; T1829-E1833 WeakPolarHBondContact O-CB 3.32Å; T1829-E1833 VanDerWaalsContact O-CG 3.28Å; T1829-E1833 WeakPolarHBondContact O-CG 3.38Å; T1829-E1833 PolarHBondContact O-N 3.19Å; E1833-A1837 WeakPolarHBondContact O-CA 3.41Å; E1833-A1837 WeakPolarHBondContact O-CB 3.29Å; E1833-A1837 PolarHBondContact O-N 3.31Å |
| 1834 | Q | 72.4 | Confident | 72.5 | Confident | 127 Ų | 127 | 93.6 Ų | 93.6 | 59% | 0.593 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -70.9 | -32.3 | 169.4 | -77.2 | 177.8 | -13.5 | 0 | 0 | 112.3 | T1830 E1838 | T1830-Q1834 WeakPolarHBondContact O-CB 3.3Å; T1830-Q1834 WeakPolarHBondContact O-CG 3.41Å; T1830-Q1834 PolarHBondContact O-N 3.4Å; Q1834-E1838 WeakPolarHBondContact O-CA 3.37Å; Q1834-E1838 WeakPolarHBondContact O-CB 3.49Å; Q1834-E1838 PolarHBondContact O-N 2.74Å |
| 1835 | L | 67.8 | Low | 72.7 | Confident | 52 Ų | 52 | 92 Ų | 92 | 27% | 0.272 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -79.8 | -28.1 | 175.2 | -175.4 | 70.7 | 0 | 0 | 0 | 111.5 | L1831 K1839 | L1831-L1835 WeakPolarHBondContact O-CA 3.36Å; L1831-L1835 WeakPolarHBondContact O-CB 3.49Å; L1831-L1835 PolarHBondContact O-N 2.81Å; L1835-K1839 HydrophobicContact CG-CD 4.29Å; L1835-K1839 HydrophobicContact CG-CG 4.5Å; L1835-K1839 WeakPolarHBondContact O-CA 3.47Å; L1835-K1839 WeakPolarHBondContact O-CB 3.31Å; L1835-K1839 WeakPolarHBondContact O-CD 3.36Å; L1835-K1839 WeakPolarHBondContact O-CG 3.45Å; L1835-K1839 PolarHBondContact O-N 3.46Å |
| 1836 | E | 74.2 | Confident | 72.5 | Confident | 92 Ų | 92 | 89.8 Ų | 89.8 | 43% | 0.43 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -81.3 | -28 | 169.1 | -75.5 | -61.4 | 157.4 | 0 | 0 | 112 | D1832 K1839 L1840 | D1832-E1836 WeakPolarHBondContact O-CA 3.38Å; D1832-E1836 WeakPolarHBondContact O-CB 3.49Å; D1832-E1836 WeakPolarHBondContact O-CG 3.42Å; D1832-E1836 PolarHBondContact O-N 2.88Å; E1836-K1839 HydrophobicContact CG-CD 4.31Å; E1836-K1839 WeakPolarHBondContact OE1-CD 3.01Å; E1836-K1839 WeakPolarHBondContact OE1-CE 3.27Å; E1836-K1839 IonicContact OE1-NZ 2.71Å; E1836-K1839 PolarHBondContact OE1-NZ 3.47Å; E1836-K1839 WeakPolarHBondContact OE2-CD 3.42Å; E1836-L1840 VanDerWaalsContact O-CB 3.25Å; E1836-L1840 WeakPolarHBondContact O-CB 3.31Å; E1836-L1840 VanDerWaalsContact O-CD1 3.28Å; E1836-L1840 WeakPolarHBondContact O-CD1 3.3Å; E1836-L1840 PolarHBondContact O-N 2.95Å |
| 1837 | A | 74.3 | Confident | 72.2 | Confident | 52 Ų | 52 | 92.7 Ų | 92.7 | 43% | 0.43 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.1 | -45.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | E1833 L1840 E1841 | E1833-A1837 WeakPolarHBondContact O-CA 3.41Å; E1833-A1837 WeakPolarHBondContact O-CB 3.29Å; E1833-A1837 PolarHBondContact O-N 3.31Å; A1837-L1840 CarbonylContact O-C 3.53Å; A1837-L1840 PolarHBondContact O-N 3.03Å; A1837-E1841 WeakPolarHBondContact O-CB 3.3Å; A1837-E1841 WeakPolarHBondContact O-CG 3.47Å; A1837-E1841 PolarHBondContact O-N 3.41Å |
| 1838 | E | 71.5 | Confident | 72 | Confident | 113 Ų | 113 | 88.9 Ų | 88.9 | 53% | 0.528 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70 | -30.6 | 174.2 | -167.9 | -167 | -133.1 | 0 | 0 | 111 | Q1834 K1842 | Q1834-E1838 WeakPolarHBondContact O-CA 3.37Å; Q1834-E1838 WeakPolarHBondContact O-CB 3.49Å; Q1834-E1838 PolarHBondContact O-N 2.74Å; E1838-K1842 WeakPolarHBondContact O-CA 3.33Å; E1838-K1842 WeakPolarHBondContact O-CB 3.31Å; E1838-K1842 PolarHBondContact O-N 2.7Å |
| 1839 | K | 68.9 | Low | 72 | Confident | 77 Ų | 77 | 91.2 Ų | 91.2 | 34% | 0.335 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.6 | -43 | 166.7 | -77.6 | 157.1 | -176 | 158.4 | 0 | 110.1 | L1835 E1836 E1841 K1842 L1843 | L1835-K1839 HydrophobicContact CG-CD 4.29Å; L1835-K1839 HydrophobicContact CG-CG 4.5Å; L1835-K1839 WeakPolarHBondContact O-CA 3.47Å; L1835-K1839 WeakPolarHBondContact O-CB 3.31Å; L1835-K1839 WeakPolarHBondContact O-CD 3.36Å; L1835-K1839 WeakPolarHBondContact O-CG 3.45Å; L1835-K1839 PolarHBondContact O-N 3.46Å; E1836-K1839 HydrophobicContact CG-CD 4.31Å; E1836-K1839 WeakPolarHBondContact OE1-CD 3.01Å; E1836-K1839 WeakPolarHBondContact OE1-CE 3.27Å; E1836-K1839 IonicContact OE1-NZ 2.71Å; E1836-K1839 PolarHBondContact OE1-NZ 3.47Å; E1836-K1839 WeakPolarHBondContact OE2-CD 3.42Å; K1839-E1841 VanDerWaalsContact C-N 3.29Å; K1839-E1841 PolarHBondContact O-N 2.7Å; K1839-K1842 CarbonylContact O-C 3.48Å; K1839-K1842 PolarHBondContact O-N 2.59Å; K1839-L1843 WeakPolarHBondContact O-CA 3.44Å; K1839-L1843 WeakPolarHBondContact O-CB 3.44Å; K1839-L1843 PolarHBondContact O-N 3.06Å |
| 1840 | L | 73.6 | Confident | 71.6 | Confident | 103 Ų | 103 | 95.4 Ų | 95.4 | 54% | 0.539 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.2 | -34.1 | 176.1 | -104.7 | 90.3 | 0 | 0 | 0 | 111 | E1836 A1837 N1844 | E1836-L1840 VanDerWaalsContact O-CB 3.25Å; E1836-L1840 WeakPolarHBondContact O-CB 3.31Å; E1836-L1840 VanDerWaalsContact O-CD1 3.28Å; E1836-L1840 WeakPolarHBondContact O-CD1 3.3Å; E1836-L1840 PolarHBondContact O-N 2.95Å; A1837-L1840 CarbonylContact O-C 3.53Å; A1837-L1840 PolarHBondContact O-N 3.03Å; L1840-N1844 WeakPolarHBondContact O-CA 3.33Å; L1840-N1844 WeakPolarHBondContact O-CB 3.42Å; L1840-N1844 PolarHBondContact O-N 2.69Å; L1840-N1844 PolarHBondContact O-ND2 2.77Å |
| 1841 | E | 73.1 | Confident | 71.4 | Confident | 144 Ų | 144 | 99.9 Ų | 99.9 | 67% | 0.673 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -74.1 | -33.8 | 171.5 | -77.7 | -161.2 | 126.9 | 0 | 0 | 111.5 | A1837 K1839 A1845 | A1837-E1841 WeakPolarHBondContact O-CB 3.3Å; A1837-E1841 WeakPolarHBondContact O-CG 3.47Å; A1837-E1841 PolarHBondContact O-N 3.41Å; K1839-E1841 VanDerWaalsContact C-N 3.29Å; K1839-E1841 PolarHBondContact O-N 2.7Å; E1841-A1845 VanDerWaalsContact O-CA 3.25Å; E1841-A1845 WeakPolarHBondContact O-CA 3.26Å; E1841-A1845 WeakPolarHBondContact O-CB 3.4Å; E1841-A1845 PolarHBondContact O-N 2.89Å |
| 1842 | K | 66.5 | Low | 71.2 | Confident | 100 Ų | 100 | 97.9 Ų | 97.9 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -82.7 | -14.1 | 175.6 | -172 | 176.2 | -177.7 | 177.1 | 0 | 112.8 | E1838 K1839 N1846 | E1838-K1842 WeakPolarHBondContact O-CA 3.33Å; E1838-K1842 WeakPolarHBondContact O-CB 3.31Å; E1838-K1842 PolarHBondContact O-N 2.7Å; K1839-K1842 CarbonylContact O-C 3.48Å; K1839-K1842 PolarHBondContact O-N 2.59Å; K1842-N1846 WeakPolarHBondContact O-CA 3.24Å; K1842-N1846 WeakPolarHBondContact O-CB 3.33Å; K1842-N1846 PolarHBondContact O-N 2.82Å; K1842-N1846 PolarHBondContact O-ND2 3.38Å |
| 1843 | L | 70.9 | Confident | 70.9 | Confident | 92 Ų | 92 | 97.6 Ų | 97.6 | 48% | 0.482 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -102.8 | -26.9 | 175.3 | -158.5 | 165.1 | 0 | 0 | 0 | 109.8 | K1839 N1846 K1847 | K1839-L1843 WeakPolarHBondContact O-CA 3.44Å; K1839-L1843 WeakPolarHBondContact O-CB 3.44Å; K1839-L1843 PolarHBondContact O-N 3.06Å; L1843-N1846 CarbonylContact O-C 3.53Å; L1843-K1847 HydrophobicContact CD2-CD 3.83Å; L1843-K1847 HydrophobicContact CD2-CG 4.25Å; L1843-K1847 WeakPolarHBondContact O-CA 3.37Å; L1843-K1847 WeakPolarHBondContact O-CB 3.19Å; L1843-K1847 WeakPolarHBondContact O-CD 3.33Å; L1843-K1847 WeakPolarHBondContact O-CG 3.49Å; L1843-K1847 PolarHBondContact O-N 3.37Å |
| 1844 | N | 73.7 | Confident | 70.6 | Confident | 76 Ų | 76 | 95 Ų | 95 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -78.9 | -28.6 | 160.7 | -71.7 | -26.2 | 0 | 0 | 0 | 111.6 | L1840 K1847 N1848 | L1840-N1844 WeakPolarHBondContact O-CA 3.33Å; L1840-N1844 WeakPolarHBondContact O-CB 3.42Å; L1840-N1844 PolarHBondContact O-N 2.69Å; L1840-N1844 PolarHBondContact O-ND2 2.77Å; N1844-K1847 CarbonylContact O-C 3.53Å; N1844-K1847 PolarHBondContact O-N 3.4Å; N1844-N1848 WeakPolarHBondContact O-CA 3.34Å; N1844-N1848 WeakPolarHBondContact O-CB 3.49Å; N1844-N1848 PolarHBondContact O-N 2.54Å; N1844-N1848 PolarHBondContact O-ND2 3.42Å; N1844-N1848 PolarHBondContact O-OD1 2.98Å |
| 1845 | A | 72.7 | Confident | 70.6 | Confident | 52 Ų | 52 | 96 Ų | 96 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -85.4 | -21.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E1841 F1849 | E1841-A1845 VanDerWaalsContact O-CA 3.25Å; E1841-A1845 WeakPolarHBondContact O-CA 3.26Å; E1841-A1845 WeakPolarHBondContact O-CB 3.4Å; E1841-A1845 PolarHBondContact O-N 2.89Å; A1845-F1849 VanDerWaalsContact O-CA 3.3Å; A1845-F1849 WeakPolarHBondContact O-CA 3.5Å; A1845-F1849 WeakPolarHBondContact O-CB 3.29Å; A1845-F1849 PolarHBondContact O-N 3.21Å |
| 1846 | N | 70.9 | Confident | 70.5 | Confident | 64 Ų | 64 | 96.5 Ų | 96.5 | 34% | 0.342 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -78.5 | -26.1 | 159 | -95.8 | -88.2 | 0 | 0 | 0 | 111.9 | K1842 L1843 R1850 | K1842-N1846 WeakPolarHBondContact O-CA 3.24Å; K1842-N1846 WeakPolarHBondContact O-CB 3.33Å; K1842-N1846 PolarHBondContact O-N 2.82Å; K1842-N1846 PolarHBondContact O-ND2 3.38Å; L1843-N1846 CarbonylContact O-C 3.53Å; N1846-R1850 WeakPolarHBondContact O-CA 3.19Å; N1846-R1850 WeakPolarHBondContact O-CB 3.19Å; N1846-R1850 WeakPolarHBondContact O-CD 3.49Å; N1846-R1850 WeakPolarHBondContact O-CG 3.41Å; N1846-R1850 PolarHBondContact O-N 2.75Å |
| 1847 | K | 68 | Low | 70.2 | Confident | 110 Ų | 110 | 98.1 Ų | 98.1 | 48% | 0.478 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -77.4 | -33 | 169.9 | -79.8 | 163.9 | 177.6 | 167.6 | 0 | 110.9 | L1843 N1844 R1850 R1851 | L1843-K1847 HydrophobicContact CD2-CD 3.83Å; L1843-K1847 HydrophobicContact CD2-CG 4.25Å; L1843-K1847 WeakPolarHBondContact O-CA 3.37Å; L1843-K1847 WeakPolarHBondContact O-CB 3.19Å; L1843-K1847 WeakPolarHBondContact O-CD 3.33Å; L1843-K1847 WeakPolarHBondContact O-CG 3.49Å; L1843-K1847 PolarHBondContact O-N 3.37Å; N1844-K1847 CarbonylContact O-C 3.53Å; N1844-K1847 PolarHBondContact O-N 3.4Å; K1847-R1850 CarbonylContact O-C 2.98Å; K1847-R1851 WeakPolarHBondContact O-CA 3.3Å; K1847-R1851 WeakPolarHBondContact O-CB 3.24Å; K1847-R1851 VanDerWaalsContact O-CD 3.24Å; K1847-R1851 WeakPolarHBondContact O-CD 3.39Å; K1847-R1851 WeakPolarHBondContact O-CG 3.14Å; K1847-R1851 PolarHBondContact O-N 3.38Å |
| 1848 | N | 71.2 | Confident | 70 | Confident | 88 Ų | 88 | 97.7 Ų | 97.7 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -82.6 | -38.6 | 177.2 | -70.6 | -14.1 | 0 | 0 | 0 | 110.4 | N1844 R1851 A1852 | N1844-N1848 WeakPolarHBondContact O-CA 3.34Å; N1844-N1848 WeakPolarHBondContact O-CB 3.49Å; N1844-N1848 PolarHBondContact O-N 2.54Å; N1844-N1848 PolarHBondContact O-ND2 3.42Å; N1844-N1848 PolarHBondContact O-OD1 2.98Å; N1848-R1851 CarbonylContact O-C 3.57Å; N1848-R1851 VanDerWaalsContact O-C 3.3Å; N1848-R1851 WeakPolarHBondContact O-CA 3.42Å; N1848-R1851 PolarHBondContact O-N 2.66Å; N1848-R1851 VanDerWaalsContact O-N 3.11Å; N1848-A1852 WeakPolarHBondContact O-CA 3.31Å; N1848-A1852 WeakPolarHBondContact O-CB 3.13Å; N1848-A1852 PolarHBondContact O-N 3.25Å |
| 1849 | F | 69.5 | Low | 70 | Confident | 118 Ų | 118 | 97.2 Ų | 97.2 | 52% | 0.518 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.4 | -53.6 | 163.7 | -169.4 | -91.2 | 0 | 0 | 0 | 109.8 | A1845 R1851 A1852 E1853 | A1845-F1849 VanDerWaalsContact O-CA 3.3Å; A1845-F1849 WeakPolarHBondContact O-CA 3.5Å; A1845-F1849 WeakPolarHBondContact O-CB 3.29Å; A1845-F1849 PolarHBondContact O-N 3.21Å; F1849-R1851 PolarHBondContact O-N 3.01Å; F1849-A1852 CarbonylContact O-C 3.57Å; F1849-A1852 PolarHBondContact O-N 3.13Å; F1849-E1853 HydrophobicContact CD1-CB 3.73Å; F1849-E1853 HydrophobicContact CD1-CG 4.3Å; F1849-E1853 HydrophobicContact CE1-CB 3.63Å; F1849-E1853 HydrophobicContact CE1-CG 3.72Å; F1849-E1853 HydrophobicContact CG-CB 4.29Å; F1849-E1853 HydrophobicContact CZ-CB 4.11Å; F1849-E1853 HydrophobicContact CZ-CG 4.16Å; F1849-E1853 VanDerWaalsContact O-CA 3.29Å; F1849-E1853 WeakPolarHBondContact O-CA 3.17Å; F1849-E1853 WeakPolarHBondContact O-CB 3.37Å; F1849-E1853 PolarHBondContact O-N 3.02Å |
| 1850 | R | 67.9 | Low | 70.1 | Confident | 168 Ų | 168 | 97.9 Ų | 97.9 | 63% | 0.634 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -68.7 | 8.6 | 170.4 | -57.7 | 169.6 | -177.8 | -165.2 | -0.9 | 114.8 | N1846 K1847 K1854 | N1846-R1850 WeakPolarHBondContact O-CA 3.19Å; N1846-R1850 WeakPolarHBondContact O-CB 3.19Å; N1846-R1850 WeakPolarHBondContact O-CD 3.49Å; N1846-R1850 WeakPolarHBondContact O-CG 3.41Å; N1846-R1850 PolarHBondContact O-N 2.75Å; K1847-R1850 CarbonylContact O-C 2.98Å; R1850-K1854 WeakPolarHBondContact O-CB 3.46Å |
| 1851 | R | 69.8 | Low | 69.7 | Low | 164 Ų | 164 | 97 Ų | 97 | 62% | 0.619 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -113.4 | -13.3 | 162.7 | -80.7 | 165.4 | 171.9 | -172.9 | -5 | 112.3 | K1847 N1848 F1849 K1855 | K1847-R1851 WeakPolarHBondContact O-CA 3.3Å; K1847-R1851 WeakPolarHBondContact O-CB 3.24Å; K1847-R1851 VanDerWaalsContact O-CD 3.24Å; K1847-R1851 WeakPolarHBondContact O-CD 3.39Å; K1847-R1851 WeakPolarHBondContact O-CG 3.14Å; K1847-R1851 PolarHBondContact O-N 3.38Å; N1848-R1851 CarbonylContact O-C 3.57Å; N1848-R1851 VanDerWaalsContact O-C 3.3Å; N1848-R1851 WeakPolarHBondContact O-CA 3.42Å; N1848-R1851 PolarHBondContact O-N 2.66Å; N1848-R1851 VanDerWaalsContact O-N 3.11Å; F1849-R1851 PolarHBondContact O-N 3.01Å; R1851-K1855 VanDerWaalsContact C-N 3.32Å; R1851-K1855 WeakPolarHBondContact O-CA 3.28Å; R1851-K1855 WeakPolarHBondContact O-CB 3.23Å; R1851-K1855 VanDerWaalsContact O-CG 3.28Å; R1851-K1855 WeakPolarHBondContact O-CG 3.27Å; R1851-K1855 PolarHBondContact O-N 2.92Å |
| 1852 | A | 70.5 | Confident | 69.5 | Low | 55 Ų | 55 | 93.8 Ų | 93.8 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -107.6 | -42.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | N1848 F1849 K1854 K1855 C1856 | N1848-A1852 WeakPolarHBondContact O-CA 3.31Å; N1848-A1852 WeakPolarHBondContact O-CB 3.13Å; N1848-A1852 PolarHBondContact O-N 3.25Å; F1849-A1852 CarbonylContact O-C 3.57Å; F1849-A1852 PolarHBondContact O-N 3.13Å; A1852-K1854 VanDerWaalsContact C-N 3.33Å; A1852-K1855 CarbonylContact O-C 3.55Å; A1852-K1855 PolarHBondContact O-N 2.84Å; A1852-C1856 WeakPolarHBondContact O-CA 3.45Å; A1852-C1856 WeakPolarHBondContact O-CB 3.39Å; A1852-C1856 PolarHBondContact O-N 3.43Å |
| 1853 | E | 65.5 | Low | 69.6 | Low | 63 Ų | 63 | 93.8 Ų | 93.8 | 29% | 0.294 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.3 | -30.9 | 152.9 | -163.7 | -141.2 | 168.7 | 0 | 0 | 111.7 | F1849 K1857 | F1849-E1853 HydrophobicContact CD1-CB 3.73Å; F1849-E1853 HydrophobicContact CD1-CG 4.3Å; F1849-E1853 HydrophobicContact CE1-CB 3.63Å; F1849-E1853 HydrophobicContact CE1-CG 3.72Å; F1849-E1853 HydrophobicContact CG-CB 4.29Å; F1849-E1853 HydrophobicContact CZ-CB 4.11Å; F1849-E1853 HydrophobicContact CZ-CG 4.16Å; F1849-E1853 VanDerWaalsContact O-CA 3.29Å; F1849-E1853 WeakPolarHBondContact O-CA 3.17Å; F1849-E1853 WeakPolarHBondContact O-CB 3.37Å; F1849-E1853 PolarHBondContact O-N 3.02Å; E1853-K1857 HydrophobicContact CG-CD 4.39Å; E1853-K1857 WeakPolarHBondContact O-CA 3.36Å; E1853-K1857 WeakPolarHBondContact O-CB 3.31Å; E1853-K1857 VanDerWaalsContact O-CG 3.27Å; E1853-K1857 WeakPolarHBondContact O-CG 3.47Å; E1853-K1857 PolarHBondContact O-N 3.2Å; E1853-K1857 VanDerWaalsContact OE1-CE 3.26Å; E1853-K1857 WeakPolarHBondContact OE1-CE 3.22Å; E1853-K1857 IonicContact OE1-NZ 3.17Å; E1853-K1857 PolarHBondContact OE1-NZ 3.39Å |
| 1854 | K | 70 | Confident | 69.4 | Low | 84 Ų | 84 | 92.4 Ų | 92.4 | 37% | 0.365 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -81.7 | -30.8 | 165 | -172.4 | 174.4 | 173.2 | -179.5 | 0 | 112.9 | R1850 A1852 C1856 D1858 | R1850-K1854 WeakPolarHBondContact O-CB 3.46Å; A1852-K1854 VanDerWaalsContact C-N 3.33Å; K1854-C1856 VanDerWaalsContact C-N 3.26Å; K1854-C1856 PolarHBondContact O-N 3.09Å; K1854-D1858 WeakPolarHBondContact CE-OD1 3.39Å; K1854-D1858 WeakPolarHBondContact CE-OD2 3.26Å; K1854-D1858 WeakPolarHBondContact O-CA 3.27Å; K1854-D1858 WeakPolarHBondContact O-CB 3.32Å; K1854-D1858 PolarHBondContact O-N 3.22Å |
| 1855 | K | 71.4 | Confident | 69.1 | Low | 150 Ų | 150 | 91.7 Ų | 91.7 | 65% | 0.652 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -69.2 | -27.5 | 166.1 | -96.1 | -174.3 | 166.6 | -172 | 0 | 111.1 | R1851 A1852 D1858 L1859 | R1851-K1855 VanDerWaalsContact C-N 3.32Å; R1851-K1855 WeakPolarHBondContact O-CA 3.28Å; R1851-K1855 WeakPolarHBondContact O-CB 3.23Å; R1851-K1855 VanDerWaalsContact O-CG 3.28Å; R1851-K1855 WeakPolarHBondContact O-CG 3.27Å; R1851-K1855 PolarHBondContact O-N 2.92Å; A1852-K1855 CarbonylContact O-C 3.55Å; A1852-K1855 PolarHBondContact O-N 2.84Å; K1855-D1858 CarbonylContact O-C 3.37Å; K1855-L1859 VanDerWaalsContact O-CA 3.3Å; K1855-L1859 WeakPolarHBondContact O-CA 3.26Å; K1855-L1859 WeakPolarHBondContact O-CB 3.27Å; K1855-L1859 WeakPolarHBondContact O-CD1 3.28Å; K1855-L1859 WeakPolarHBondContact O-CG 3.45Å; K1855-L1859 PolarHBondContact O-N 3.13Å |
| 1856 | C | 66.4 | Low | 69 | Low | 62 Ų | 62 | 94.3 Ų | 94.3 | 42% | 0.419 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -90.9 | -25.3 | -179.3 | -167.3 | 0 | 0 | 0 | 0 | 110.7 | A1852 K1854 I1860 | A1852-C1856 WeakPolarHBondContact O-CA 3.45Å; A1852-C1856 WeakPolarHBondContact O-CB 3.39Å; A1852-C1856 PolarHBondContact O-N 3.43Å; K1854-C1856 VanDerWaalsContact C-N 3.26Å; K1854-C1856 PolarHBondContact O-N 3.09Å; C1856-I1860 WeakPolarHBondContact O-CA 3.12Å; C1856-I1860 WeakPolarHBondContact O-CB 3.45Å; C1856-I1860 WeakPolarHBondContact O-CD1 3.4Å; C1856-I1860 WeakPolarHBondContact O-CG1 3.36Å; C1856-I1860 PolarHBondContact O-N 3.24Å |
| 1857 | K | 69 | Low | 68.9 | Low | 126 Ų | 126 | 99 Ų | 99 | 55% | 0.548 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -78.6 | -33.3 | 161.1 | -76.9 | 172.9 | 170 | 168.2 | 0 | 111.9 | E1853 L1859 L1861 | E1853-K1857 HydrophobicContact CG-CD 4.39Å; E1853-K1857 WeakPolarHBondContact O-CA 3.36Å; E1853-K1857 WeakPolarHBondContact O-CB 3.31Å; E1853-K1857 VanDerWaalsContact O-CG 3.27Å; E1853-K1857 WeakPolarHBondContact O-CG 3.47Å; E1853-K1857 PolarHBondContact O-N 3.2Å; E1853-K1857 VanDerWaalsContact OE1-CE 3.26Å; E1853-K1857 WeakPolarHBondContact OE1-CE 3.22Å; E1853-K1857 IonicContact OE1-NZ 3.17Å; E1853-K1857 PolarHBondContact OE1-NZ 3.39Å; K1857-L1859 VanDerWaalsContact C-N 3.34Å; K1857-L1861 VanDerWaalsContact O-CA 3.29Å; K1857-L1861 WeakPolarHBondContact O-CA 3.23Å; K1857-L1861 WeakPolarHBondContact O-CB 3.18Å; K1857-L1861 PolarHBondContact O-N 2.73Å |
| 1858 | D | 69.1 | Low | 68.8 | Low | 43 Ų | 43 | 99.9 Ų | 99.9 | 23% | 0.23 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -78.8 | -17.5 | 171.1 | -66.2 | -0.2 | 0 | 0 | 0 | 110.9 | K1854 K1855 Q1862 | K1854-D1858 WeakPolarHBondContact CE-OD1 3.39Å; K1854-D1858 WeakPolarHBondContact CE-OD2 3.26Å; K1854-D1858 WeakPolarHBondContact O-CA 3.27Å; K1854-D1858 WeakPolarHBondContact O-CB 3.32Å; K1854-D1858 PolarHBondContact O-N 3.22Å; K1855-D1858 CarbonylContact O-C 3.37Å; D1858-Q1862 WeakPolarHBondContact O-CA 3.39Å; D1858-Q1862 WeakPolarHBondContact O-CB 3.42Å; D1858-Q1862 WeakPolarHBondContact O-CG 3.32Å; D1858-Q1862 PolarHBondContact O-N 3.33Å |
| 1859 | L | 70.9 | Confident | 68.6 | Low | 103 Ų | 103 | 98.9 Ų | 98.9 | 54% | 0.539 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -94.6 | -33.9 | 171.5 | -77.6 | 166.5 | 0 | 0 | 0 | 112.8 | K1855 K1857 Q1862 N1863 | K1855-L1859 VanDerWaalsContact O-CA 3.3Å; K1855-L1859 WeakPolarHBondContact O-CA 3.26Å; K1855-L1859 WeakPolarHBondContact O-CB 3.27Å; K1855-L1859 WeakPolarHBondContact O-CD1 3.28Å; K1855-L1859 WeakPolarHBondContact O-CG 3.45Å; K1855-L1859 PolarHBondContact O-N 3.13Å; K1857-L1859 VanDerWaalsContact C-N 3.34Å; L1859-Q1862 CarbonylContact O-C 3.55Å; L1859-Q1862 PolarHBondContact O-N 2.92Å; L1859-N1863 WeakPolarHBondContact O-CA 3.3Å; L1859-N1863 WeakPolarHBondContact O-CB 3.34Å; L1859-N1863 PolarHBondContact O-N 3.43Å |
| 1860 | I | 70.7 | Confident | 68.6 | Low | 91 Ų | 91 | 96 Ų | 96 | 47% | 0.467 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -71 | -41.6 | 165.9 | -69.3 | 165 | 0 | 0 | 0 | 107.9 | C1856 Q1862 N1863 D1864 | C1856-I1860 WeakPolarHBondContact O-CA 3.12Å; C1856-I1860 WeakPolarHBondContact O-CB 3.45Å; C1856-I1860 WeakPolarHBondContact O-CD1 3.4Å; C1856-I1860 WeakPolarHBondContact O-CG1 3.36Å; C1856-I1860 PolarHBondContact O-N 3.24Å; I1860-Q1862 VanDerWaalsContact C-N 3.34Å; I1860-N1863 CarbonylContact O-C 3.58Å; I1860-N1863 PolarHBondContact O-N 3.46Å; I1860-N1863 VanDerWaalsContact O-N 3.08Å; I1860-D1864 WeakPolarHBondContact O-CA 3.35Å; I1860-D1864 WeakPolarHBondContact O-CB 3.47Å; I1860-D1864 PolarHBondContact O-N 3.13Å |
| 1861 | L | 66.9 | Low | 68.6 | Low | 85 Ų | 85 | 94.2 Ų | 94.2 | 45% | 0.445 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.6 | -24 | 169 | -158.3 | 96.8 | 0 | 0 | 0 | 111.7 | K1857 D1865 | K1857-L1861 VanDerWaalsContact O-CA 3.29Å; K1857-L1861 WeakPolarHBondContact O-CA 3.23Å; K1857-L1861 WeakPolarHBondContact O-CB 3.18Å; K1857-L1861 PolarHBondContact O-N 2.73Å; L1861-D1865 WeakPolarHBondContact CD2-OD2 3.29Å; L1861-D1865 WeakPolarHBondContact CG-OD2 3.48Å; L1861-D1865 VanDerWaalsContact O-CA 3.23Å; L1861-D1865 WeakPolarHBondContact O-CA 3.29Å; L1861-D1865 WeakPolarHBondContact O-CB 3.37Å; L1861-D1865 PolarHBondContact O-N 3.38Å |
| 1862 | Q | 67.7 | Low | 68.5 | Low | 75 Ų | 75 | 88.7 Ų | 88.7 | 35% | 0.35 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -80.3 | -12.4 | 164.1 | -85.2 | -174.9 | -115.5 | 0 | 0 | 113.7 | K1111 D1858 L1859 I1860 L1866 | K1111-Q1862 VanDerWaalsContact NZ-CD 3.3Å; D1858-Q1862 WeakPolarHBondContact O-CA 3.39Å; D1858-Q1862 WeakPolarHBondContact O-CB 3.42Å; D1858-Q1862 WeakPolarHBondContact O-CG 3.32Å; D1858-Q1862 PolarHBondContact O-N 3.33Å; L1859-Q1862 CarbonylContact O-C 3.55Å; L1859-Q1862 PolarHBondContact O-N 2.92Å; I1860-Q1862 VanDerWaalsContact C-N 3.34Å; Q1862-L1866 WeakPolarHBondContact O-CA 3.43Å; Q1862-L1866 WeakPolarHBondContact O-CB 3.3Å; Q1862-L1866 VanDerWaalsContact O-CD1 3.28Å; Q1862-L1866 WeakPolarHBondContact O-CD1 3.41Å; Q1862-L1866 WeakPolarHBondContact O-CG 3.49Å; Q1862-L1866 PolarHBondContact O-N 3.19Å |
| 1863 | N | 68.8 | Low | 68.4 | Low | 100 Ų | 100 | 91.9 Ų | 91.9 | 54% | 0.535 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -102.6 | -19.2 | 175.9 | -151.3 | -8.4 | 0 | 0 | 0 | 111.1 | L1859 I1860 R1867 | L1859-N1863 WeakPolarHBondContact O-CA 3.3Å; L1859-N1863 WeakPolarHBondContact O-CB 3.34Å; L1859-N1863 PolarHBondContact O-N 3.43Å; I1860-N1863 CarbonylContact O-C 3.58Å; I1860-N1863 PolarHBondContact O-N 3.46Å; I1860-N1863 VanDerWaalsContact O-N 3.08Å; N1863-R1867 WeakPolarHBondContact O-CA 3.4Å; N1863-R1867 WeakPolarHBondContact O-CB 3.47Å; N1863-R1867 WeakPolarHBondContact O-CG 3.46Å; N1863-R1867 PolarHBondContact O-N 3.07Å |
| 1864 | D | 67.8 | Low | 68.7 | Low | 63 Ų | 63 | 95 Ų | 95 | 34% | 0.337 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -90 | -23.4 | 164.3 | -73.8 | -12.8 | 0 | 0 | 0 | 110.8 | I1860 R1868 | I1860-D1864 WeakPolarHBondContact O-CA 3.35Å; I1860-D1864 WeakPolarHBondContact O-CB 3.47Å; I1860-D1864 PolarHBondContact O-N 3.13Å; D1864-R1868 WeakPolarHBondContact O-CA 3.41Å; D1864-R1868 WeakPolarHBondContact O-CB 3.47Å; D1864-R1868 VanDerWaalsContact O-CD 3.26Å; D1864-R1868 WeakPolarHBondContact O-CD 3.34Å; D1864-R1868 WeakPolarHBondContact O-CG 3.42Å; D1864-R1868 PolarHBondContact O-N 3.44Å |
| 1865 | D | 66.7 | Low | 68.6 | Low | 61 Ų | 61 | 94.1 Ų | 94.1 | 33% | 0.326 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -96.9 | -10.8 | 164.5 | -58.7 | -18.8 | 0 | 0 | 0 | 111.8 | L1861 R1868 C1869 | L1861-D1865 WeakPolarHBondContact CD2-OD2 3.29Å; L1861-D1865 WeakPolarHBondContact CG-OD2 3.48Å; L1861-D1865 VanDerWaalsContact O-CA 3.23Å; L1861-D1865 WeakPolarHBondContact O-CA 3.29Å; L1861-D1865 WeakPolarHBondContact O-CB 3.37Å; L1861-D1865 PolarHBondContact O-N 3.38Å; D1865-R1868 IonicContact OD1-CZ 3.7Å; D1865-R1868 IonicContact OD1-NH1 2.67Å; D1865-R1868 PolarHBondContact OD1-NH1 3.3Å; D1865-C1869 WeakPolarHBondContact O-CA 3.46Å; D1865-C1869 WeakPolarHBondContact O-CB 3.42Å; D1865-C1869 PolarHBondContact O-N 2.89Å; D1865-C1869 PolarHBondContact O-SG 2.88Å |
| 1866 | L | 70.4 | Confident | 68.3 | Low | 108 Ų | 108 | 89.9 Ų | 89.9 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -86 | -25.8 | 155.4 | -76.3 | 166.6 | 0 | 0 | 0 | 111.1 | Q1862 C1869 A1870 | Q1862-L1866 WeakPolarHBondContact O-CA 3.43Å; Q1862-L1866 WeakPolarHBondContact O-CB 3.3Å; Q1862-L1866 VanDerWaalsContact O-CD1 3.28Å; Q1862-L1866 WeakPolarHBondContact O-CD1 3.41Å; Q1862-L1866 WeakPolarHBondContact O-CG 3.49Å; Q1862-L1866 PolarHBondContact O-N 3.19Å; L1866-C1869 CarbonylContact O-C 3.53Å; L1866-A1870 WeakPolarHBondContact O-CA 3.31Å; L1866-A1870 WeakPolarHBondContact O-CB 3.34Å; L1866-A1870 PolarHBondContact O-N 3.33Å |
| 1867 | R | 69.4 | Low | 68.6 | Low | 161 Ų | 161 | 92.8 Ų | 92.8 | 61% | 0.608 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -75.4 | -41.4 | 163.8 | -82.8 | 174.5 | 163.1 | -163.4 | -6.5 | 111.4 | N1863 A1870 E1871 | N1863-R1867 WeakPolarHBondContact O-CA 3.4Å; N1863-R1867 WeakPolarHBondContact O-CB 3.47Å; N1863-R1867 WeakPolarHBondContact O-CG 3.46Å; N1863-R1867 PolarHBondContact O-N 3.07Å; R1867-A1870 CarbonylContact O-C 3.57Å; R1867-A1870 PolarHBondContact O-N 2.83Å; R1867-E1871 WeakPolarHBondContact O-CA 3.32Å; R1867-E1871 WeakPolarHBondContact O-CB 3.47Å; R1867-E1871 VanDerWaalsContact O-CG 3.25Å; R1867-E1871 WeakPolarHBondContact O-CG 3.41Å; R1867-E1871 PolarHBondContact O-N 2.85Å |
| 1868 | R | 64.6 | Low | 68.7 | Low | 129 Ų | 129 | 91 Ų | 91 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72.9 | -27 | 169.7 | -68 | 161.6 | -163.2 | 142.1 | 2.7 | 112.1 | D1864 D1865 A1872 | D1864-R1868 WeakPolarHBondContact O-CA 3.41Å; D1864-R1868 WeakPolarHBondContact O-CB 3.47Å; D1864-R1868 VanDerWaalsContact O-CD 3.26Å; D1864-R1868 WeakPolarHBondContact O-CD 3.34Å; D1864-R1868 WeakPolarHBondContact O-CG 3.42Å; D1864-R1868 PolarHBondContact O-N 3.44Å; D1865-R1868 IonicContact OD1-CZ 3.7Å; D1865-R1868 IonicContact OD1-NH1 2.67Å; D1865-R1868 PolarHBondContact OD1-NH1 3.3Å; R1868-A1872 WeakPolarHBondContact O-CA 3.39Å; R1868-A1872 WeakPolarHBondContact O-CB 3.44Å; R1868-A1872 PolarHBondContact O-N 3.24Å |
| 1869 | C | 67.4 | Low | 68.5 | Low | 67 Ų | 67 | 91.8 Ų | 91.8 | 45% | 0.453 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -82.9 | -12.6 | 166.7 | -66.3 | 0 | 0 | 0 | 0 | 112.9 | D1865 L1866 L1873 | D1865-C1869 WeakPolarHBondContact O-CA 3.46Å; D1865-C1869 WeakPolarHBondContact O-CB 3.42Å; D1865-C1869 PolarHBondContact O-N 2.89Å; D1865-C1869 PolarHBondContact O-SG 2.88Å; L1866-C1869 CarbonylContact O-C 3.53Å; C1869-L1873 WeakPolarHBondContact O-CA 3.42Å; C1869-L1873 WeakPolarHBondContact O-CB 3.49Å; C1869-L1873 VanDerWaalsContact O-CD1 3.24Å; C1869-L1873 WeakPolarHBondContact O-CD1 3.48Å; C1869-L1873 WeakPolarHBondContact O-CG 3.22Å; C1869-L1873 PolarHBondContact O-N 3.37Å |
| 1870 | A | 69.9 | Low | 68.4 | Low | 58 Ų | 58 | 88.2 Ų | 88.2 | 48% | 0.479 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -94.1 | -29.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | L1866 R1867 K1874 | L1866-A1870 WeakPolarHBondContact O-CA 3.31Å; L1866-A1870 WeakPolarHBondContact O-CB 3.34Å; L1866-A1870 PolarHBondContact O-N 3.33Å; R1867-A1870 CarbonylContact O-C 3.57Å; R1867-A1870 PolarHBondContact O-N 2.83Å; A1870-K1874 WeakPolarHBondContact O-CA 3.36Å; A1870-K1874 WeakPolarHBondContact O-CB 3.17Å; A1870-K1874 PolarHBondContact O-N 2.91Å |
| 1871 | E | 68.1 | Low | 68.4 | Low | 131 Ų | 131 | 87.8 Ų | 87.8 | 61% | 0.612 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -83.9 | -29.9 | 171.4 | -69.6 | -178.7 | 151.3 | 0 | 0 | 110.5 | R1867 E1875 | R1867-E1871 WeakPolarHBondContact O-CA 3.32Å; R1867-E1871 WeakPolarHBondContact O-CB 3.47Å; R1867-E1871 VanDerWaalsContact O-CG 3.25Å; R1867-E1871 WeakPolarHBondContact O-CG 3.41Å; R1867-E1871 PolarHBondContact O-N 2.85Å; E1871-E1875 VanDerWaalsContact O-CA 3.31Å; E1871-E1875 WeakPolarHBondContact O-CA 3.44Å; E1871-E1875 WeakPolarHBondContact O-CB 3.39Å; E1871-E1875 PolarHBondContact O-N 2.93Å |
| 1872 | A | 66.4 | Low | 68.3 | Low | 47 Ų | 47 | 85.3 Ų | 85.3 | 39% | 0.388 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -97.6 | -2.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1868 S1876 | R1868-A1872 WeakPolarHBondContact O-CA 3.39Å; R1868-A1872 WeakPolarHBondContact O-CB 3.44Å; R1868-A1872 PolarHBondContact O-N 3.24Å; A1872-S1876 VanDerWaalsContact O-CA 3.28Å; A1872-S1876 WeakPolarHBondContact O-CA 3.5Å; A1872-S1876 WeakPolarHBondContact O-CB 3.23Å; A1872-S1876 PolarHBondContact O-N 2.86Å |
| 1873 | L | 69.5 | Low | 68.1 | Low | 122 Ų | 122 | 81.7 Ų | 81.7 | 64% | 0.639 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -85.7 | -25.5 | 149.5 | -77.8 | 166.4 | 0 | 0 | 0 | 111 | C1869 S1876 F1877 | C1869-L1873 WeakPolarHBondContact O-CA 3.42Å; C1869-L1873 WeakPolarHBondContact O-CB 3.49Å; C1869-L1873 VanDerWaalsContact O-CD1 3.24Å; C1869-L1873 WeakPolarHBondContact O-CD1 3.48Å; C1869-L1873 WeakPolarHBondContact O-CG 3.22Å; C1869-L1873 PolarHBondContact O-N 3.37Å; L1873-S1876 CarbonylContact O-C 3.41Å; L1873-F1877 VanDerWaalsContact O-CA 3.3Å; L1873-F1877 WeakPolarHBondContact O-CA 3.49Å; L1873-F1877 WeakPolarHBondContact O-CB 3.16Å; L1873-F1877 PolarHBondContact O-N 2.71Å |
| 1874 | K | 71.2 | Confident | 68 | Low | 129 Ų | 129 | 78.7 Ų | 78.7 | 56% | 0.561 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -77.3 | -40.3 | 170.4 | -177.7 | -177.9 | 172 | -166.9 | 0 | 110.6 | A1870 F1877 E1878 | A1870-K1874 WeakPolarHBondContact O-CA 3.36Å; A1870-K1874 WeakPolarHBondContact O-CB 3.17Å; A1870-K1874 PolarHBondContact O-N 2.91Å; K1874-F1877 CarbonylContact O-C 3.4Å; K1874-F1877 PolarHBondContact O-N 2.95Å; K1874-E1878 WeakPolarHBondContact CE-OE1 3.45Å; K1874-E1878 VanDerWaalsContact O-CB 3.27Å; K1874-E1878 WeakPolarHBondContact O-CB 3.42Å; K1874-E1878 VanDerWaalsContact O-CG 3.28Å; K1874-E1878 WeakPolarHBondContact O-CG 3.45Å; K1874-E1878 PolarHBondContact O-N 2.88Å |
| 1875 | E | 67.8 | Low | 68 | Low | 65 Ų | 65 | 80.9 Ų | 80.9 | 30% | 0.304 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -84.2 | -17.3 | 174.5 | -161.6 | -152.4 | -121 | 0 | 0 | 111.4 | E1871 K1879 V1977 | E1871-E1875 VanDerWaalsContact O-CA 3.31Å; E1871-E1875 WeakPolarHBondContact O-CA 3.44Å; E1871-E1875 WeakPolarHBondContact O-CB 3.39Å; E1871-E1875 PolarHBondContact O-N 2.93Å; E1875-K1879 HydrophobicContact CG-CD 4.22Å; E1875-K1879 HydrophobicContact CG-CG 4.43Å; E1875-K1879 WeakPolarHBondContact O-CA 3.38Å; E1875-K1879 WeakPolarHBondContact O-CB 3.32Å; E1875-K1879 WeakPolarHBondContact O-CD 3.41Å; E1875-K1879 WeakPolarHBondContact O-CG 3.36Å; E1875-K1879 PolarHBondContact O-N 3.22Å; E1875-K1879 IonicContact OE1-NZ 2.72Å; E1875-K1879 WeakPolarHBondContact OE2-CE 3.29Å; E1875-K1879 IonicContact OE2-NZ 3.99Å; E1875-K1879 PolarHBondContact OE2-NZ 2.86Å; E1875-V1977 WeakPolarHBondContact OE1-CG2 3.29Å |
| 1876 | S | 65.6 | Low | 68 | Low | 62 Ų | 62 | 81.4 Ų | 81.4 | 43% | 0.434 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -95.5 | 3.1 | 159.3 | -159.9 | 0 | 0 | 0 | 0 | 113.3 | A1872 L1873 K1879 A1880 | A1872-S1876 VanDerWaalsContact O-CA 3.28Å; A1872-S1876 WeakPolarHBondContact O-CA 3.5Å; A1872-S1876 WeakPolarHBondContact O-CB 3.23Å; A1872-S1876 PolarHBondContact O-N 2.86Å; L1873-S1876 CarbonylContact O-C 3.41Å; S1876-K1879 CarbonylContact O-C 3.46Å; S1876-K1879 VanDerWaalsContact O-C 3.31Å; S1876-A1880 VanDerWaalsContact C-N 3.34Å; S1876-A1880 WeakPolarHBondContact O-CA 3.08Å; S1876-A1880 WeakPolarHBondContact O-CB 3.49Å; S1876-A1880 PolarHBondContact O-N 3.08Å |
| 1877 | F | 72.2 | Confident | 67.8 | Low | 123 Ų | 123 | 78.6 Ų | 78.6 | 54% | 0.539 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -98.7 | -24.7 | 159.9 | -175.9 | -94.9 | 0 | 0 | 0 | 110.5 | L1873 K1874 A1880 Q1881 | L1873-F1877 VanDerWaalsContact O-CA 3.3Å; L1873-F1877 WeakPolarHBondContact O-CA 3.49Å; L1873-F1877 WeakPolarHBondContact O-CB 3.16Å; L1873-F1877 PolarHBondContact O-N 2.71Å; K1874-F1877 CarbonylContact O-C 3.4Å; K1874-F1877 PolarHBondContact O-N 2.95Å; F1877-A1880 VanDerWaalsContact C-N 3.31Å; F1877-A1880 CarbonylContact O-C 3.13Å; F1877-A1880 PolarHBondContact O-N 2.92Å; F1877-Q1881 HydrophobicContact CD1-CB 4.28Å; F1877-Q1881 HydrophobicContact CE1-CB 4.14Å; F1877-Q1881 HydrophobicContact CE1-CG 4.36Å; F1877-Q1881 HydrophobicContact CZ-CB 4.42Å; F1877-Q1881 HydrophobicContact CZ-CG 4.46Å; F1877-Q1881 VanDerWaalsContact O-CA 3.3Å; F1877-Q1881 WeakPolarHBondContact O-CA 3.34Å; F1877-Q1881 WeakPolarHBondContact O-CB 3.5Å; F1877-Q1881 PolarHBondContact O-N 3.35Å |
| 1878 | E | 70.9 | Confident | 67.8 | Low | 89 Ų | 89 | 76.5 Ų | 76.5 | 42% | 0.416 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -79.3 | -53.1 | 165.2 | -72 | 165.8 | -162.1 | 0 | 0 | 107.1 | K1874 A1880 Q1881 S1882 S1883 | K1874-E1878 WeakPolarHBondContact CE-OE1 3.45Å; K1874-E1878 VanDerWaalsContact O-CB 3.27Å; K1874-E1878 WeakPolarHBondContact O-CB 3.42Å; K1874-E1878 VanDerWaalsContact O-CG 3.28Å; K1874-E1878 WeakPolarHBondContact O-CG 3.45Å; K1874-E1878 PolarHBondContact O-N 2.88Å; E1878-A1880 PolarHBondContact O-N 3.45Å; E1878-Q1881 PolarHBondContact O-N 3.47Å; E1878-S1882 PolarHBondContact O-N 3.45Å; E1878-S1882 PolarHBondContact O-OG 2.83Å; E1878-S1883 WeakPolarHBondContact O-CA 3.38Å; E1878-S1883 VanDerWaalsContact O-CB 3.29Å; E1878-S1883 WeakPolarHBondContact O-CB 3.47Å; E1878-S1883 PolarHBondContact O-N 2.74Å |
| 1879 | K | 65.6 | Low | 67.9 | Low | 59 Ų | 59 | 79.7 Ų | 79.7 | 26% | 0.257 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.2 | 23.7 | 156 | -47.8 | 159.7 | 178.7 | 168.1 | 0 | 114.1 | E1875 S1876 S1883 T1979 N1981 | E1875-K1879 HydrophobicContact CG-CD 4.22Å; E1875-K1879 HydrophobicContact CG-CG 4.43Å; E1875-K1879 WeakPolarHBondContact O-CA 3.38Å; E1875-K1879 WeakPolarHBondContact O-CB 3.32Å; E1875-K1879 WeakPolarHBondContact O-CD 3.41Å; E1875-K1879 WeakPolarHBondContact O-CG 3.36Å; E1875-K1879 PolarHBondContact O-N 3.22Å; E1875-K1879 IonicContact OE1-NZ 2.72Å; E1875-K1879 WeakPolarHBondContact OE2-CE 3.29Å; E1875-K1879 IonicContact OE2-NZ 3.99Å; E1875-K1879 PolarHBondContact OE2-NZ 2.86Å; S1876-K1879 CarbonylContact O-C 3.46Å; S1876-K1879 VanDerWaalsContact O-C 3.31Å; K1879-S1883 VanDerWaalsContact C-OG 3.27Å; K1879-S1883 VanDerWaalsContact CA-OG 3.22Å; K1879-S1883 WeakPolarHBondContact CA-OG 3.41Å; K1879-S1883 WeakPolarHBondContact O-CB 3.31Å; K1879-S1883 PolarHBondContact O-OG 3.32Å; K1879-T1979 HydrophobicContact CB-CG2 4.1Å; K1879-T1979 HydrophobicContact CG-CG2 3.37Å; K1879-N1981 VanDerWaalsContact O-CG 3.31Å; K1879-N1981 PolarHBondContact O-ND2 3.29Å; K1879-N1981 PolarHBondContact O-OD1 3.34Å |
| 1880 | A | 68.3 | Low | 67.8 | Low | 28 Ų | 28 | 80.3 Ų | 80.3 | 23% | 0.231 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -125.9 | -13 | 144.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S1876 F1877 E1878 S1883 C1884 | S1876-A1880 VanDerWaalsContact C-N 3.34Å; S1876-A1880 WeakPolarHBondContact O-CA 3.08Å; S1876-A1880 WeakPolarHBondContact O-CB 3.49Å; S1876-A1880 PolarHBondContact O-N 3.08Å; F1877-A1880 VanDerWaalsContact C-N 3.31Å; F1877-A1880 CarbonylContact O-C 3.13Å; F1877-A1880 PolarHBondContact O-N 2.92Å; E1878-A1880 PolarHBondContact O-N 3.45Å; A1880-S1883 VanDerWaalsContact C-CA 3.46Å; A1880-S1883 VanDerWaalsContact N-CB 3.3Å; A1880-S1883 CarbonylContact O-C 3.47Å; A1880-C1884 WeakPolarHBondContact O-CA 3.15Å; A1880-C1884 WeakPolarHBondContact O-CB 3.4Å; A1880-C1884 PolarHBondContact O-N 2.98Å; A1880-C1884 PolarHBondContact O-SG 2.93Å |
| 1881 | Q | 71.4 | Confident | 67.8 | Low | 81 Ų | 81 | 80.2 Ų | 80.2 | 38% | 0.379 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -119.7 | -34.9 | -175.7 | -163.3 | -126.7 | 81 | 0 | 0 | 116.9 | F1877 E1878 C1884 K1885 | F1877-Q1881 HydrophobicContact CD1-CB 4.28Å; F1877-Q1881 HydrophobicContact CE1-CB 4.14Å; F1877-Q1881 HydrophobicContact CE1-CG 4.36Å; F1877-Q1881 HydrophobicContact CZ-CB 4.42Å; F1877-Q1881 HydrophobicContact CZ-CG 4.46Å; F1877-Q1881 VanDerWaalsContact O-CA 3.3Å; F1877-Q1881 WeakPolarHBondContact O-CA 3.34Å; F1877-Q1881 WeakPolarHBondContact O-CB 3.5Å; F1877-Q1881 PolarHBondContact O-N 3.35Å; E1878-Q1881 PolarHBondContact O-N 3.47Å; Q1881-C1884 PolarHBondContact O-N 2.93Å; Q1881-K1885 WeakPolarHBondContact O-CD 3.47Å; Q1881-K1885 WeakPolarHBondContact O-CE 3.45Å; Q1881-K1885 PolarHBondContact O-NZ 3.28Å |
| 1882 | S | 64.6 | Low | 68 | Low | 33 Ų | 33 | 76.5 Ų | 76.5 | 23% | 0.231 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -55.6 | 158.4 | 66.1 | 0 | 0 | 0 | 0 | 108.8 | E1878 K1885 T1979 N1980 | E1878-S1882 PolarHBondContact O-N 3.45Å; E1878-S1882 PolarHBondContact O-OG 2.83Å; S1882-K1885 VanDerWaalsContact O-CB 3.24Å; S1882-K1885 WeakPolarHBondContact O-CB 3.27Å; S1882-K1885 PolarHBondContact O-N 3.14Å; S1882-T1979 WeakPolarHBondContact OG-CB 3.26Å; S1882-T1979 WeakPolarHBondContact OG-CG2 3.39Å; S1882-T1979 PolarHBondContact OG-OG1 2.83Å; S1882-N1980 PolarHBondContact O-OD1 2.9Å; S1882-N1980 PolarHBondContact OG-OD1 3.39Å |
| 1883 | S | 62.5 | Low | 68.2 | Low | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | 46.6 | -126.3 | 99.8 | -35.9 | 0 | 0 | 0 | 0 | 116 | E1878 K1879 A1880 K1885 Q1886 N1980 N1981 | E1878-S1883 WeakPolarHBondContact O-CA 3.38Å; E1878-S1883 VanDerWaalsContact O-CB 3.29Å; E1878-S1883 WeakPolarHBondContact O-CB 3.47Å; E1878-S1883 PolarHBondContact O-N 2.74Å; K1879-S1883 VanDerWaalsContact C-OG 3.27Å; K1879-S1883 VanDerWaalsContact CA-OG 3.22Å; K1879-S1883 WeakPolarHBondContact CA-OG 3.41Å; K1879-S1883 WeakPolarHBondContact O-CB 3.31Å; K1879-S1883 PolarHBondContact O-OG 3.32Å; A1880-S1883 VanDerWaalsContact C-CA 3.46Å; A1880-S1883 VanDerWaalsContact N-CB 3.3Å; A1880-S1883 CarbonylContact O-C 3.47Å; S1883-K1885 PolarHBondContact O-N 2.81Å; S1883-Q1886 PolarHBondContact O-N 2.92Å; S1883-N1980 PolarHBondContact N-OD1 3.24Å; S1883-N1980 CarbonylContact O-C 3.49Å; S1883-N1980 WeakPolarHBondContact OG-CA 3.07Å; S1883-N1980 PolarHBondContact OG-N 2.91Å; S1883-N1981 CarbonylContact C-O 3.48Å; S1883-N1981 VanDerWaalsContact CB-CB 3.49Å; S1883-N1981 VanDerWaalsContact CB-OD1 3.26Å; S1883-N1981 WeakPolarHBondContact CB-OD1 3.41Å; S1883-N1981 CarbonylContact O-C 3.45Å; S1883-N1981 WeakPolarHBondContact O-CA 3.41Å; S1883-N1981 PolarHBondContact O-N 3.1Å; S1883-N1981 PolarHBondContact OG-N 2.93Å; S1883-N1981 PolarHBondContact OG-OD1 2.82Å | |
| 1884 | C | 67.4 | Low | 68.2 | Low | 37 Ų | 37 | 73.7 Ų | 73.7 | 25% | 0.25 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -35.6 | -16.6 | 173.3 | -85.2 | 0 | 0 | 0 | 0 | 117.5 | A1880 Q1881 K1888 N1981 T1982 | A1880-C1884 WeakPolarHBondContact O-CA 3.15Å; A1880-C1884 WeakPolarHBondContact O-CB 3.4Å; A1880-C1884 PolarHBondContact O-N 2.98Å; A1880-C1884 PolarHBondContact O-SG 2.93Å; Q1881-C1884 PolarHBondContact O-N 2.93Å; C1884-K1888 WeakPolarHBondContact O-CB 3.35Å; C1884-K1888 WeakPolarHBondContact O-CD 3.35Å; C1884-K1888 WeakPolarHBondContact O-CG 3.46Å; C1884-N1981 CarbonylContact C-O 3.39Å; C1884-N1981 VanDerWaalsContact C-O 3.27Å; C1884-N1981 WeakPolarHBondContact CA-O 3.35Å; C1884-N1981 PolarHBondContact N-O 3.2Å; C1884-T1982 VanDerWaalsContact CA-OG1 3.23Å; C1884-T1982 WeakPolarHBondContact CA-OG1 3.28Å; C1884-T1982 PolarHBondContact SG-OG1 3.31Å |
| 1885 | K | 68.4 | Low | 68.1 | Low | 108 Ų | 108 | 73.5 Ų | 73.5 | 47% | 0.47 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -95.1 | -31.4 | -176.9 | -55.7 | 152.6 | -166.9 | 159.4 | 0 | 112.2 | Q1881 S1882 S1883 R1889 | Q1881-K1885 WeakPolarHBondContact O-CD 3.47Å; Q1881-K1885 WeakPolarHBondContact O-CE 3.45Å; Q1881-K1885 PolarHBondContact O-NZ 3.28Å; S1882-K1885 VanDerWaalsContact O-CB 3.24Å; S1882-K1885 WeakPolarHBondContact O-CB 3.27Å; S1882-K1885 PolarHBondContact O-N 3.14Å; S1883-K1885 PolarHBondContact O-N 2.81Å; K1885-R1889 VanDerWaalsContact O-CG 3.25Å; K1885-R1889 WeakPolarHBondContact O-CG 3.28Å; K1885-R1889 PolarHBondContact O-N 3.47Å |
| 1886 | Q | 65.5 | Low | 68.2 | Low | 72 Ų | 72 | 75.5 Ų | 75.5 | 34% | 0.336 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -88.5 | -41.6 | 173.6 | 138.2 | -176.6 | 15.1 | 0 | 0 | 117.1 | S1883 K1888 R1889 E1890 N1980 | S1883-Q1886 PolarHBondContact O-N 2.92Å; Q1886-K1888 PolarHBondContact O-N 3.37Å; Q1886-R1889 CarbonylContact O-C 3.45Å; Q1886-R1889 WeakPolarHBondContact O-CA 3.44Å; Q1886-R1889 PolarHBondContact O-N 3.16Å; Q1886-E1890 HydrophobicContact CG-CB 4.38Å; Q1886-E1890 PolarHBondContact NE2-OE1 3.27Å; Q1886-E1890 WeakPolarHBondContact O-CA 3.45Å; Q1886-E1890 WeakPolarHBondContact O-CB 3.41Å; Q1886-E1890 PolarHBondContact O-N 3.24Å; Q1886-N1980 HydrophobicContact CB-CB 3.24Å; Q1886-N1980 HydrophobicContact CG-CB 3.34Å; Q1886-N1980 PolarHBondContact OE1-ND2 3.1Å |
| 1887 | N | 66.9 | Low | 68.3 | Low | 49 Ų | 49 | 76.7 Ų | 76.7 | 26% | 0.262 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70.8 | 3.5 | 160.5 | -29.9 | 9.2 | 0 | 0 | 0 | 112.6 | I1891 N1980 N1981 T1982 | N1887-I1891 HydrophobicContact CB-CD1 4.27Å; N1887-I1891 HydrophobicContact CB-CG1 4.12Å; N1887-I1891 WeakPolarHBondContact O-CA 3.47Å; N1887-I1891 WeakPolarHBondContact O-CB 3.27Å; N1887-I1891 WeakPolarHBondContact O-CD1 3.49Å; N1887-I1891 WeakPolarHBondContact O-CG1 3.48Å; N1887-I1891 PolarHBondContact O-N 3.22Å; N1887-N1980 PolarHBondContact OD1-O 3.06Å; N1887-N1981 WeakPolarHBondContact CA-O 3.39Å; N1887-N1981 PolarHBondContact N-O 3.09Å; N1887-N1981 WeakPolarHBondContact OD1-CA 2.89Å; N1887-N1981 PolarHBondContact OD1-N 2.9Å; N1887-T1982 CarbonylContact C-O 3.54Å; N1887-T1982 VanDerWaalsContact CB-N 3.26Å; N1887-T1982 CarbonylContact O-C 3.57Å; N1887-T1982 VanDerWaalsContact O-O 3.07Å |
| 1888 | K | 69.2 | Low | 68.2 | Low | 118 Ų | 118 | 74.6 Ų | 74.6 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -82.2 | -38.2 | 154 | -100.1 | -179.2 | 165.5 | 121.9 | 0 | 113 | C1884 Q1886 E1890 A1892 T1982 N1983 | C1884-K1888 WeakPolarHBondContact O-CB 3.35Å; C1884-K1888 WeakPolarHBondContact O-CD 3.35Å; C1884-K1888 WeakPolarHBondContact O-CG 3.46Å; Q1886-K1888 PolarHBondContact O-N 3.37Å; K1888-E1890 VanDerWaalsContact C-N 3.32Å; K1888-A1892 WeakPolarHBondContact O-CA 3.22Å; K1888-A1892 WeakPolarHBondContact O-CB 3.18Å; K1888-A1892 PolarHBondContact O-N 2.88Å; K1888-T1982 PolarHBondContact N-O 3.17Å; K1888-N1983 WeakPolarHBondContact CD-ND2 3.45Å; K1888-N1983 WeakPolarHBondContact CE-ND2 3.28Å; K1888-N1983 HydrophobicContact CG-CB 4.39Å; K1888-N1983 VanDerWaalsContact NZ-CG 3.3Å; K1888-N1983 PolarHBondContact NZ-ND2 2.95Å; K1888-N1983 PolarHBondContact NZ-OD1 3.05Å |
| 1889 | R | 67.8 | Low | 68.3 | Low | 196 Ų | 196 | 73.1 Ų | 73.1 | 74% | 0.74 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -75.6 | -18.6 | 172.5 | -71.4 | 164.9 | 174.1 | -175.4 | -3.3 | 113.9 | K1885 Q1886 G1893 | K1885-R1889 VanDerWaalsContact O-CG 3.25Å; K1885-R1889 WeakPolarHBondContact O-CG 3.28Å; K1885-R1889 PolarHBondContact O-N 3.47Å; Q1886-R1889 CarbonylContact O-C 3.45Å; Q1886-R1889 WeakPolarHBondContact O-CA 3.44Å; Q1886-R1889 PolarHBondContact O-N 3.16Å; R1889-G1893 WeakPolarHBondContact O-CA 3.43Å; R1889-G1893 PolarHBondContact O-N 2.89Å |
| 1890 | E | 65.2 | Low | 68.6 | Low | 79 Ų | 79 | 75.6 Ų | 75.6 | 37% | 0.369 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -116.3 | -18.8 | -171.3 | -166 | -169.7 | -78.1 | 0 | 0 | 109.7 | Q1886 K1888 L1894 | Q1886-E1890 HydrophobicContact CG-CB 4.38Å; Q1886-E1890 PolarHBondContact NE2-OE1 3.27Å; Q1886-E1890 WeakPolarHBondContact O-CA 3.45Å; Q1886-E1890 WeakPolarHBondContact O-CB 3.41Å; Q1886-E1890 PolarHBondContact O-N 3.24Å; K1888-E1890 VanDerWaalsContact C-N 3.32Å; E1890-L1894 WeakPolarHBondContact O-CA 3.14Å; E1890-L1894 WeakPolarHBondContact O-CB 3.21Å; E1890-L1894 WeakPolarHBondContact O-CD1 3.42Å; E1890-L1894 WeakPolarHBondContact O-CG 3.4Å; E1890-L1894 PolarHBondContact O-N 3.15Å |
| 1891 | I | 69.2 | Low | 68.7 | Low | 57 Ų | 57 | 77 Ų | 77 | 29% | 0.292 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -79.9 | -39.9 | 149.9 | -65.1 | 171.5 | 0 | 0 | 0 | 110.2 | N1887 G1893 L1894 E1895 | N1887-I1891 HydrophobicContact CB-CD1 4.27Å; N1887-I1891 HydrophobicContact CB-CG1 4.12Å; N1887-I1891 WeakPolarHBondContact O-CA 3.47Å; N1887-I1891 WeakPolarHBondContact O-CB 3.27Å; N1887-I1891 WeakPolarHBondContact O-CD1 3.49Å; N1887-I1891 WeakPolarHBondContact O-CG1 3.48Å; N1887-I1891 PolarHBondContact O-N 3.22Å; I1891-G1893 PolarHBondContact O-N 3Å; I1891-L1894 CarbonylContact O-C 3.31Å; I1891-L1894 PolarHBondContact O-N 3.28Å; I1891-E1895 HydrophobicContact CG2-CG 3.82Å; I1891-E1895 WeakPolarHBondContact O-CA 3.35Å; I1891-E1895 WeakPolarHBondContact O-CB 3.15Å; I1891-E1895 WeakPolarHBondContact O-CG 3.46Å; I1891-E1895 PolarHBondContact O-N 3.46Å |
| 1892 | A | 71.8 | Confident | 68.7 | Low | 52 Ų | 52 | 76.6 Ų | 76.6 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.8 | -35.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | K1888 E1896 | K1888-A1892 WeakPolarHBondContact O-CA 3.22Å; K1888-A1892 WeakPolarHBondContact O-CB 3.18Å; K1888-A1892 PolarHBondContact O-N 2.88Å; A1892-E1896 WeakPolarHBondContact O-CB 3.45Å; A1892-E1896 PolarHBondContact O-N 3.46Å |
| 1893 | G | 70.9 | Confident | 69.1 | Low | 30 Ų | 30 | 77.5 Ų | 77.5 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.1 | -52.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1889 I1891 E1895 E1896 E1897 | R1889-G1893 WeakPolarHBondContact O-CA 3.43Å; R1889-G1893 PolarHBondContact O-N 2.89Å; I1891-G1893 PolarHBondContact O-N 3Å; G1893-E1895 VanDerWaalsContact C-N 3.32Å; G1893-E1895 PolarHBondContact O-N 3.19Å; G1893-E1896 PolarHBondContact O-N 3.35Å; G1893-E1897 WeakPolarHBondContact O-CA 3.4Å; G1893-E1897 WeakPolarHBondContact O-CB 3.39Å; G1893-E1897 PolarHBondContact O-N 2.89Å |
| 1894 | L | 68.8 | Low | 69.4 | Low | 81 Ų | 81 | 81.6 Ų | 81.6 | 42% | 0.424 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -75.5 | -11.7 | 176.7 | -69.6 | 166.7 | 0 | 0 | 0 | 113.9 | E1890 I1891 N1898 | E1890-L1894 WeakPolarHBondContact O-CA 3.14Å; E1890-L1894 WeakPolarHBondContact O-CB 3.21Å; E1890-L1894 WeakPolarHBondContact O-CD1 3.42Å; E1890-L1894 WeakPolarHBondContact O-CG 3.4Å; E1890-L1894 PolarHBondContact O-N 3.15Å; I1891-L1894 CarbonylContact O-C 3.31Å; I1891-L1894 PolarHBondContact O-N 3.28Å; L1894-N1898 WeakPolarHBondContact O-CA 3.3Å; L1894-N1898 WeakPolarHBondContact O-CB 3.11Å; L1894-N1898 PolarHBondContact O-N 2.92Å; L1894-N1898 PolarHBondContact O-ND2 3.16Å |
| 1895 | E | 69.6 | Low | 69.5 | Low | 124 Ų | 124 | 82 Ų | 82 | 58% | 0.579 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -86.4 | -37.9 | 168.8 | -80 | -179.4 | 156.8 | 0 | 0 | 110.1 | I1891 G1893 A1899 | I1891-E1895 HydrophobicContact CG2-CG 3.82Å; I1891-E1895 WeakPolarHBondContact O-CA 3.35Å; I1891-E1895 WeakPolarHBondContact O-CB 3.15Å; I1891-E1895 WeakPolarHBondContact O-CG 3.46Å; I1891-E1895 PolarHBondContact O-N 3.46Å; G1893-E1895 VanDerWaalsContact C-N 3.32Å; G1893-E1895 PolarHBondContact O-N 3.19Å; E1895-A1899 WeakPolarHBondContact O-CA 3.46Å; E1895-A1899 WeakPolarHBondContact O-CB 3.3Å; E1895-A1899 PolarHBondContact O-N 3.23Å |
| 1896 | E | 70.7 | Confident | 69.6 | Low | 108 Ų | 108 | 84.5 Ų | 84.5 | 51% | 0.505 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -71 | -36.6 | 169.1 | -155.5 | -167.9 | 143.6 | 0 | 0 | 110.7 | A1892 G1893 A1899 R1900 | A1892-E1896 WeakPolarHBondContact O-CB 3.45Å; A1892-E1896 PolarHBondContact O-N 3.46Å; G1893-E1896 PolarHBondContact O-N 3.35Å; E1896-A1899 CarbonylContact O-C 3.55Å; E1896-A1899 WeakPolarHBondContact O-CB 3.2Å; E1896-A1899 PolarHBondContact O-N 3.03Å; E1896-R1900 WeakPolarHBondContact O-CB 3.16Å; E1896-R1900 WeakPolarHBondContact O-CG 3.09Å; E1896-R1900 PolarHBondContact O-N 3.5Å; E1896-R1900 IonicContact OE1-CZ 3.98Å; E1896-R1900 VanDerWaalsContact OE1-CZ 3.25Å; E1896-R1900 IonicContact OE1-NE 3.66Å; E1896-R1900 PolarHBondContact OE1-NE 3.28Å; E1896-R1900 IonicContact OE1-NH2 2.66Å; E1896-R1900 PolarHBondContact OE1-NH2 2.72Å |
| 1897 | E | 67.8 | Low | 69.9 | Low | 86 Ų | 86 | 88.9 Ų | 88.9 | 40% | 0.402 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -74.8 | -38.9 | 174.3 | -161.5 | -178.8 | -172.6 | 0 | 0 | 111 | G1893 A1899 R1900 I1901 | G1893-E1897 WeakPolarHBondContact O-CA 3.4Å; G1893-E1897 WeakPolarHBondContact O-CB 3.39Å; G1893-E1897 PolarHBondContact O-N 2.89Å; E1897-A1899 VanDerWaalsContact C-N 3.28Å; E1897-A1899 PolarHBondContact O-N 2.78Å; E1897-R1900 CarbonylContact O-C 3.54Å; E1897-R1900 PolarHBondContact O-N 2.79Å; E1897-I1901 HydrophobicContact CG-CD1 3.82Å; E1897-I1901 HydrophobicContact CG-CG1 4.23Å; E1897-I1901 WeakPolarHBondContact O-CA 3.4Å; E1897-I1901 WeakPolarHBondContact O-CB 3.44Å; E1897-I1901 VanDerWaalsContact O-CG1 3.26Å; E1897-I1901 WeakPolarHBondContact O-CG1 3.36Å; E1897-I1901 PolarHBondContact O-N 2.85Å |
| 1898 | N | 69.4 | Low | 69.9 | Low | 80 Ų | 80 | 88.8 Ų | 88.8 | 43% | 0.428 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.6 | -26.8 | 165.9 | -88.9 | -84.1 | 0 | 0 | 0 | 112.1 | L1894 N1902 | L1894-N1898 WeakPolarHBondContact O-CA 3.3Å; L1894-N1898 WeakPolarHBondContact O-CB 3.11Å; L1894-N1898 PolarHBondContact O-N 2.92Å; L1894-N1898 PolarHBondContact O-ND2 3.16Å; N1898-N1902 WeakPolarHBondContact O-CA 3.02Å; N1898-N1902 WeakPolarHBondContact O-CB 3.16Å; N1898-N1902 PolarHBondContact O-N 3.09Å; N1898-N1902 PolarHBondContact O-ND2 2.88Å |
| 1899 | A | 74 | Confident | 69.9 | Low | 57 Ų | 57 | 88.5 Ų | 88.5 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.7 | -40.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1895 E1896 E1897 A1903 | E1895-A1899 WeakPolarHBondContact O-CA 3.46Å; E1895-A1899 WeakPolarHBondContact O-CB 3.3Å; E1895-A1899 PolarHBondContact O-N 3.23Å; E1896-A1899 CarbonylContact O-C 3.55Å; E1896-A1899 WeakPolarHBondContact O-CB 3.2Å; E1896-A1899 PolarHBondContact O-N 3.03Å; E1897-A1899 VanDerWaalsContact C-N 3.28Å; E1897-A1899 PolarHBondContact O-N 2.78Å; A1899-A1903 WeakPolarHBondContact O-CA 3.41Å; A1899-A1903 WeakPolarHBondContact O-CB 3.25Å; A1899-A1903 PolarHBondContact O-N 3.08Å |
| 1900 | R | 71.6 | Confident | 70.2 | Confident | 112 Ų | 112 | 87 Ų | 87 | 42% | 0.423 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 174.8 | -72.3 | 165.6 | -177 | -150 | 7.5 | 111.8 | E1896 E1897 A1903 R1904 V1953 | E1896-R1900 WeakPolarHBondContact O-CB 3.16Å; E1896-R1900 WeakPolarHBondContact O-CG 3.09Å; E1896-R1900 PolarHBondContact O-N 3.5Å; E1896-R1900 IonicContact OE1-CZ 3.98Å; E1896-R1900 VanDerWaalsContact OE1-CZ 3.25Å; E1896-R1900 IonicContact OE1-NE 3.66Å; E1896-R1900 PolarHBondContact OE1-NE 3.28Å; E1896-R1900 IonicContact OE1-NH2 2.66Å; E1896-R1900 PolarHBondContact OE1-NH2 2.72Å; E1897-R1900 CarbonylContact O-C 3.54Å; E1897-R1900 PolarHBondContact O-N 2.79Å; R1900-A1903 CarbonylContact O-C 3.59Å; R1900-A1903 PolarHBondContact O-N 2.87Å; R1900-R1904 VanDerWaalsContact O-CB 3.31Å; R1900-R1904 WeakPolarHBondContact O-CB 3.34Å; R1900-R1904 WeakPolarHBondContact O-CG 3.28Å; R1900-R1904 PolarHBondContact O-N 2.93Å; R1900-V1953 HydrophobicContact CB-CG1 4.09Å |
| 1901 | I | 70.4 | Confident | 70.5 | Confident | 56 Ų | 56 | 87 Ų | 87 | 29% | 0.287 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.6 | -38.2 | 176.7 | -68.1 | 172.7 | 0 | 0 | 0 | 110.8 | E1897 C1905 | E1897-I1901 HydrophobicContact CG-CD1 3.82Å; E1897-I1901 HydrophobicContact CG-CG1 4.23Å; E1897-I1901 WeakPolarHBondContact O-CA 3.4Å; E1897-I1901 WeakPolarHBondContact O-CB 3.44Å; E1897-I1901 VanDerWaalsContact O-CG1 3.26Å; E1897-I1901 WeakPolarHBondContact O-CG1 3.36Å; E1897-I1901 PolarHBondContact O-N 2.85Å; I1901-C1905 WeakPolarHBondContact O-CA 3.47Å; I1901-C1905 WeakPolarHBondContact O-CB 3.31Å; I1901-C1905 PolarHBondContact O-N 2.67Å; I1901-C1905 PolarHBondContact O-SG 3.15Å |
| 1902 | N | 70.6 | Confident | 70.5 | Confident | 74 Ų | 74 | 88.7 Ų | 88.7 | 40% | 0.396 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.8 | -31.4 | 170.4 | -79.7 | -87.5 | 0 | 0 | 0 | 111.5 | N1898 R1906 | N1898-N1902 WeakPolarHBondContact O-CA 3.02Å; N1898-N1902 WeakPolarHBondContact O-CB 3.16Å; N1898-N1902 PolarHBondContact O-N 3.09Å; N1898-N1902 PolarHBondContact O-ND2 2.88Å; N1902-R1906 WeakPolarHBondContact O-CB 3.28Å; N1902-R1906 WeakPolarHBondContact O-CD 3.45Å; N1902-R1906 WeakPolarHBondContact O-CG 3.5Å; N1902-R1906 PolarHBondContact O-N 2.89Å |
| 1903 | A | 72.7 | Confident | 70.7 | Confident | 52 Ų | 52 | 91.3 Ų | 91.3 | 43% | 0.43 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -70.9 | -39.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1899 R1900 R1906 R1907 | A1899-A1903 WeakPolarHBondContact O-CA 3.41Å; A1899-A1903 WeakPolarHBondContact O-CB 3.25Å; A1899-A1903 PolarHBondContact O-N 3.08Å; R1900-A1903 CarbonylContact O-C 3.59Å; R1900-A1903 PolarHBondContact O-N 2.87Å; A1903-R1906 CarbonylContact O-C 3.24Å; A1903-R1906 PolarHBondContact O-N 2.68Å; A1903-R1907 WeakPolarHBondContact O-CG 3.46Å; A1903-R1907 PolarHBondContact O-N 2.97Å |
| 1904 | R | 69.7 | Low | 70.9 | Confident | 85 Ų | 85 | 96.7 Ų | 96.7 | 32% | 0.321 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -80.3 | -33.4 | 177.1 | -70.6 | -166.8 | 69.7 | 179.4 | -1.4 | 112.1 | R1900 R1906 R1907 L1908 D1952 | R1900-R1904 VanDerWaalsContact O-CB 3.31Å; R1900-R1904 WeakPolarHBondContact O-CB 3.34Å; R1900-R1904 WeakPolarHBondContact O-CG 3.28Å; R1900-R1904 PolarHBondContact O-N 2.93Å; R1904-R1906 PolarHBondContact O-N 3.24Å; R1904-R1907 CarbonylContact O-C 3.36Å; R1904-R1907 WeakPolarHBondContact O-CA 3.45Å; R1904-R1907 WeakPolarHBondContact O-CB 3.27Å; R1904-R1907 PolarHBondContact O-N 2.84Å; R1904-R1907 VanDerWaalsContact O-N 3.14Å; R1904-L1908 VanDerWaalsContact O-CB 3.25Å; R1904-L1908 WeakPolarHBondContact O-CB 3.26Å; R1904-L1908 WeakPolarHBondContact O-CD1 3.4Å; R1904-L1908 WeakPolarHBondContact O-CG 3.48Å; R1904-L1908 PolarHBondContact O-N 3.08Å; R1904-D1952 HydrophobicContact CB-CB 3.86Å; R1904-D1952 HydrophobicContact CG-CB 4.3Å; R1904-D1952 VanDerWaalsContact CZ-CB 3.44Å; R1904-D1952 IonicContact CZ-OD1 2.68Å; R1904-D1952 IonicContact CZ-OD2 3.72Å; R1904-D1952 VanDerWaalsContact NE-CB 3.32Å; R1904-D1952 IonicContact NE-OD1 3.78Å; R1904-D1952 IonicContact NE-OD2 3.11Å; R1904-D1952 PolarHBondContact NE-OD2 3.15Å; R1904-D1952 IonicContact NH1-OD1 2.64Å; R1904-D1952 IonicContact NH1-OD2 3.92Å; R1904-D1952 IonicContact NH2-OD1 2.68Å; R1904-D1952 PolarHBondContact NH2-OD1 3.31Å; R1904-D1952 IonicContact NH2-OD2 3.78Å; R1904-D1952 PolarHBondContact NH2-OD2 2.9Å |
| 1905 | C | 69 | Low | 71.2 | Confident | 47 Ų | 47 | 97.3 Ų | 97.3 | 32% | 0.318 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 163 | -72.7 | 0 | 0 | 0 | 0 | 111.8 | I1901 R1907 Q1909 | I1901-C1905 WeakPolarHBondContact O-CA 3.47Å; I1901-C1905 WeakPolarHBondContact O-CB 3.31Å; I1901-C1905 PolarHBondContact O-N 2.67Å; I1901-C1905 PolarHBondContact O-SG 3.15Å; C1905-R1907 VanDerWaalsContact C-N 3.33Å; C1905-Q1909 WeakPolarHBondContact O-CA 3.49Å; C1905-Q1909 WeakPolarHBondContact O-CB 3.31Å; C1905-Q1909 PolarHBondContact O-N 3.42Å |
| 1906 | R | 71.5 | Confident | 71.3 | Confident | 160 Ų | 160 | 95 Ų | 95 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -72.1 | -22.6 | 171.7 | -74.7 | 171.6 | -168.2 | -175 | 6.5 | 113.5 | N1902 A1903 R1904 R1910 | N1902-R1906 WeakPolarHBondContact O-CB 3.28Å; N1902-R1906 WeakPolarHBondContact O-CD 3.45Å; N1902-R1906 WeakPolarHBondContact O-CG 3.5Å; N1902-R1906 PolarHBondContact O-N 2.89Å; A1903-R1906 CarbonylContact O-C 3.24Å; A1903-R1906 PolarHBondContact O-N 2.68Å; R1904-R1906 PolarHBondContact O-N 3.24Å; R1906-R1910 VanDerWaalsContact O-CG 3.32Å; R1906-R1910 WeakPolarHBondContact O-CG 3.26Å; R1906-R1910 PolarHBondContact O-N 2.9Å |
| 1907 | R | 72.3 | Confident | 71.5 | Confident | 164 Ų | 164 | 93.5 Ų | 93.5 | 62% | 0.619 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -73 | -64.3 | 164.7 | -75 | -172.7 | -175.4 | -167.2 | 2.4 | 109.2 | A1903 R1904 C1905 Q1909 R1910 D1911 | A1903-R1907 WeakPolarHBondContact O-CG 3.46Å; A1903-R1907 PolarHBondContact O-N 2.97Å; R1904-R1907 CarbonylContact O-C 3.36Å; R1904-R1907 WeakPolarHBondContact O-CA 3.45Å; R1904-R1907 WeakPolarHBondContact O-CB 3.27Å; R1904-R1907 PolarHBondContact O-N 2.84Å; R1904-R1907 VanDerWaalsContact O-N 3.14Å; C1905-R1907 VanDerWaalsContact C-N 3.33Å; R1907-Q1909 PolarHBondContact O-N 3.46Å; R1907-R1910 CarbonylContact O-C 3.49Å; R1907-R1910 VanDerWaalsContact O-CA 3.3Å; R1907-R1910 WeakPolarHBondContact O-CA 3.37Å; R1907-R1910 WeakPolarHBondContact O-CB 3.38Å; R1907-R1910 PolarHBondContact O-N 3.29Å; R1907-D1911 VanDerWaalsContact C-CG 3.46Å; R1907-D1911 PolarHBondContact O-N 3.33Å |
| 1908 | L | 66.1 | Low | 71.9 | Confident | 46 Ų | 46 | 91.7 Ų | 91.7 | 24% | 0.241 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -47.4 | -31.6 | 175.4 | -69.5 | 161.7 | 0 | 0 | 0 | 114.3 | R1904 D1911 L1912 P1951 | R1904-L1908 VanDerWaalsContact O-CB 3.25Å; R1904-L1908 WeakPolarHBondContact O-CB 3.26Å; R1904-L1908 WeakPolarHBondContact O-CD1 3.4Å; R1904-L1908 WeakPolarHBondContact O-CG 3.48Å; R1904-L1908 PolarHBondContact O-N 3.08Å; L1908-D1911 PolarHBondContact N-OD2 3.2Å; L1908-L1912 WeakPolarHBondContact O-CA 3.3Å; L1908-L1912 WeakPolarHBondContact O-CB 3.45Å; L1908-L1912 PolarHBondContact O-N 3.29Å; L1908-P1951 HydrophobicContact CD1-CG 4.06Å; L1908-P1951 WeakPolarHBondContact CD1-O 3.4Å; L1908-P1951 HydrophobicContact CD2-CG 4.39Å |
| 1909 | Q | 68.7 | Low | 72.1 | Confident | 112 Ų | 112 | 93.2 Ų | 93.2 | 52% | 0.523 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -76.8 | -37.3 | 174.3 | -172.6 | 170.5 | 17.2 | 0 | 0 | 112 | C1905 R1907 E1913 | C1905-Q1909 WeakPolarHBondContact O-CA 3.49Å; C1905-Q1909 WeakPolarHBondContact O-CB 3.31Å; C1905-Q1909 PolarHBondContact O-N 3.42Å; R1907-Q1909 PolarHBondContact O-N 3.46Å; Q1909-E1913 VanDerWaalsContact O-CB 3.29Å; Q1909-E1913 WeakPolarHBondContact O-CB 3.46Å; Q1909-E1913 WeakPolarHBondContact O-CG 3.37Å; Q1909-E1913 PolarHBondContact O-N 2.97Å |
| 1910 | R | 74.3 | Confident | 72.1 | Confident | 165 Ų | 165 | 96.5 Ų | 96.5 | 62% | 0.623 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -70.2 | -39.8 | 167.4 | -72.3 | 176 | -172.1 | 160.9 | 2.7 | 112.4 | R1906 R1907 L1912 E1913 E1914 | R1906-R1910 VanDerWaalsContact O-CG 3.32Å; R1906-R1910 WeakPolarHBondContact O-CG 3.26Å; R1906-R1910 PolarHBondContact O-N 2.9Å; R1907-R1910 CarbonylContact O-C 3.49Å; R1907-R1910 VanDerWaalsContact O-CA 3.3Å; R1907-R1910 WeakPolarHBondContact O-CA 3.37Å; R1907-R1910 WeakPolarHBondContact O-CB 3.38Å; R1907-R1910 PolarHBondContact O-N 3.29Å; R1910-L1912 VanDerWaalsContact C-N 3.31Å; R1910-E1913 CarbonylContact O-C 3.39Å; R1910-E1913 PolarHBondContact O-N 3.37Å; R1910-E1914 WeakPolarHBondContact O-CB 3.44Å; R1910-E1914 WeakPolarHBondContact O-CG 3.46Å; R1910-E1914 PolarHBondContact O-N 3.14Å |
| 1911 | D | 72.3 | Confident | 72.2 | Confident | 78 Ų | 78 | 94.1 Ų | 94.1 | 42% | 0.417 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.7 | -35.1 | 177.7 | -51.7 | -24.6 | 0 | 0 | 0 | 109.2 | R1907 L1908 V1915 | R1907-D1911 VanDerWaalsContact C-CG 3.46Å; R1907-D1911 PolarHBondContact O-N 3.33Å; L1908-D1911 PolarHBondContact N-OD2 3.2Å; D1911-V1915 WeakPolarHBondContact O-CB 3.29Å; D1911-V1915 WeakPolarHBondContact O-CG2 3.48Å; D1911-V1915 PolarHBondContact O-N 3.43Å |
| 1912 | L | 69 | Low | 72.3 | Confident | 94 Ų | 94 | 96.3 Ų | 96.3 | 49% | 0.492 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.1 | -34.4 | 169.8 | -172.5 | 74.3 | 0 | 0 | 0 | 111.6 | L1908 R1910 M1916 | L1908-L1912 WeakPolarHBondContact O-CA 3.3Å; L1908-L1912 WeakPolarHBondContact O-CB 3.45Å; L1908-L1912 PolarHBondContact O-N 3.29Å; R1910-L1912 VanDerWaalsContact C-N 3.31Å; L1912-M1916 HydrophobicContact CD2-CE 4.44Å; L1912-M1916 HydrophobicContact CG-CE 4.18Å; L1912-M1916 HydrophobicContact CG-CG 4.38Å; L1912-M1916 WeakPolarHBondContact O-CA 3.41Å; L1912-M1916 WeakPolarHBondContact O-CB 3.42Å; L1912-M1916 WeakPolarHBondContact O-CG 3.5Å; L1912-M1916 PolarHBondContact O-N 3.08Å |
| 1913 | E | 75 | Confident | 72.1 | Confident | 107 Ų | 107 | 97.2 Ų | 97.2 | 50% | 0.5 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.3 | -41.5 | 172.5 | -80.3 | 170.6 | -177.9 | 0 | 0 | 111.8 | Q1909 R1910 M1916 E1917 | Q1909-E1913 VanDerWaalsContact O-CB 3.29Å; Q1909-E1913 WeakPolarHBondContact O-CB 3.46Å; Q1909-E1913 WeakPolarHBondContact O-CG 3.37Å; Q1909-E1913 PolarHBondContact O-N 2.97Å; R1910-E1913 CarbonylContact O-C 3.39Å; R1910-E1913 PolarHBondContact O-N 3.37Å; E1913-M1916 HydrophobicContact CG-CE 4.17Å; E1913-M1916 PolarHBondContact O-N 2.82Å; E1913-E1917 WeakPolarHBondContact O-CB 3.45Å; E1913-E1917 PolarHBondContact O-N 3.07Å |
| 1914 | E | 76.3 | Confident | 72.1 | Confident | 142 Ų | 142 | 101.4 Ų | 101.4 | 66% | 0.664 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.1 | -42.8 | 172.4 | -76.6 | -169.4 | -177.2 | 0 | 0 | 111.1 | R1910 M1916 E1917 A1918 | R1910-E1914 WeakPolarHBondContact O-CB 3.44Å; R1910-E1914 WeakPolarHBondContact O-CG 3.46Å; R1910-E1914 PolarHBondContact O-N 3.14Å; E1914-M1916 VanDerWaalsContact C-N 3.35Å; E1914-E1917 PolarHBondContact O-N 2.85Å; E1914-A1918 WeakPolarHBondContact O-CA 3.31Å; E1914-A1918 WeakPolarHBondContact O-CB 3.4Å; E1914-A1918 PolarHBondContact O-N 2.87Å |
| 1915 | V | 73.3 | Confident | 72.1 | Confident | 94 Ų | 94 | 101.1 Ų | 101.1 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -70 | -29.8 | 173.5 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | D1911 K1919 | D1911-V1915 WeakPolarHBondContact O-CB 3.29Å; D1911-V1915 WeakPolarHBondContact O-CG2 3.48Å; D1911-V1915 PolarHBondContact O-N 3.43Å; V1915-K1919 WeakPolarHBondContact O-CA 3.28Å; V1915-K1919 WeakPolarHBondContact O-CB 3.48Å; V1915-K1919 PolarHBondContact O-N 3.07Å |
| 1916 | M | 72.2 | Confident | 71.6 | Confident | 76 Ų | 76 | 101.9 Ų | 101.9 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -74.4 | -37.4 | 172.3 | -82.3 | -168 | -60.3 | 0 | 0 | 112.3 | L1912 E1913 E1914 K1919 R1920 | L1912-M1916 HydrophobicContact CD2-CE 4.44Å; L1912-M1916 HydrophobicContact CG-CE 4.18Å; L1912-M1916 HydrophobicContact CG-CG 4.38Å; L1912-M1916 WeakPolarHBondContact O-CA 3.41Å; L1912-M1916 WeakPolarHBondContact O-CB 3.42Å; L1912-M1916 WeakPolarHBondContact O-CG 3.5Å; L1912-M1916 PolarHBondContact O-N 3.08Å; E1913-M1916 HydrophobicContact CG-CE 4.17Å; E1913-M1916 PolarHBondContact O-N 2.82Å; E1914-M1916 VanDerWaalsContact C-N 3.35Å; M1916-K1919 CarbonylContact O-C 3.6Å; M1916-K1919 PolarHBondContact O-N 2.99Å; M1916-R1920 WeakPolarHBondContact O-CB 3.35Å; M1916-R1920 WeakPolarHBondContact O-CD 3.36Å; M1916-R1920 WeakPolarHBondContact O-CG 3.24Å; M1916-R1920 PolarHBondContact O-N 3.29Å |
| 1917 | E | 76.2 | Confident | 71.1 | Confident | 77 Ų | 77 | 100.2 Ų | 100.2 | 36% | 0.36 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -80 | -34.2 | 178 | -157.6 | 59.5 | -140.4 | 0 | 0 | 111.2 | E1913 E1914 R1920 T1921 R1924 | E1913-E1917 WeakPolarHBondContact O-CB 3.45Å; E1913-E1917 PolarHBondContact O-N 3.07Å; E1914-E1917 PolarHBondContact O-N 2.85Å; E1917-R1920 PolarHBondContact O-N 2.88Å; E1917-R1920 WeakPolarHBondContact OE2-CD 3.24Å; E1917-R1920 IonicContact OE2-CZ 3.64Å; E1917-R1920 IonicContact OE2-NE 3.77Å; E1917-R1920 IonicContact OE2-NH1 2.72Å; E1917-R1920 PolarHBondContact OE2-NH1 3.46Å; E1917-T1921 WeakPolarHBondContact O-CB 3.21Å; E1917-T1921 PolarHBondContact O-N 3.24Å; E1917-T1921 PolarHBondContact O-OG1 3.1Å; E1917-R1924 IonicContact OE1-NH1 3.11Å; E1917-R1924 PolarHBondContact OE1-NH1 2.91Å; E1917-R1924 VanDerWaalsContact OE1-NH1 3.11Å; E1917-R1924 IonicContact OE1-NH2 3.95Å |
| 1918 | A | 76 | Confident | 70.6 | Confident | 47 Ų | 47 | 96.3 Ų | 96.3 | 39% | 0.388 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 165 | 0 | 0 | 0 | 0 | 0 | 110.9 | E1914 T1921 I1922 | E1914-A1918 WeakPolarHBondContact O-CA 3.31Å; E1914-A1918 WeakPolarHBondContact O-CB 3.4Å; E1914-A1918 PolarHBondContact O-N 2.87Å; A1918-T1921 PolarHBondContact O-N 2.59Å; A1918-I1922 VanDerWaalsContact O-CB 3.31Å; A1918-I1922 WeakPolarHBondContact O-CB 3.27Å; A1918-I1922 VanDerWaalsContact O-CG1 3.27Å; A1918-I1922 WeakPolarHBondContact O-CG1 3.39Å; A1918-I1922 PolarHBondContact O-N 3.42Å |
| 1919 | K | 72.5 | Confident | 70 | Confident | 112 Ų | 112 | 99.2 Ų | 99.2 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 170.9 | 176.6 | -179.9 | 169.9 | -176.2 | 0 | 111.6 | V1915 M1916 T1921 I1922 E1923 | V1915-K1919 WeakPolarHBondContact O-CA 3.28Å; V1915-K1919 WeakPolarHBondContact O-CB 3.48Å; V1915-K1919 PolarHBondContact O-N 3.07Å; M1916-K1919 CarbonylContact O-C 3.6Å; M1916-K1919 PolarHBondContact O-N 2.99Å; K1919-T1921 VanDerWaalsContact C-N 3.29Å; K1919-T1921 PolarHBondContact O-N 3.22Å; K1919-I1922 CarbonylContact O-C 3.44Å; K1919-I1922 PolarHBondContact O-N 2.86Å; K1919-E1923 WeakPolarHBondContact CE-OE1 3.31Å; K1919-E1923 HydrophobicContact CG-CG 4.12Å; K1919-E1923 IonicContact NZ-OE1 3.15Å; K1919-E1923 WeakPolarHBondContact O-CA 3.32Å; K1919-E1923 WeakPolarHBondContact O-CB 3.5Å; K1919-E1923 VanDerWaalsContact O-CG 3.27Å; K1919-E1923 WeakPolarHBondContact O-CG 3.4Å; K1919-E1923 PolarHBondContact O-N 3.17Å |
| 1920 | R | 75.1 | Confident | 69.3 | Low | 126 Ų | 126 | 102.3 Ų | 102.3 | 48% | 0.475 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -33.3 | 174 | -77.1 | 161.6 | 175.4 | 168.2 | 3.9 | 111.8 | M1916 E1917 R1924 | M1916-R1920 WeakPolarHBondContact O-CB 3.35Å; M1916-R1920 WeakPolarHBondContact O-CD 3.36Å; M1916-R1920 WeakPolarHBondContact O-CG 3.24Å; M1916-R1920 PolarHBondContact O-N 3.29Å; E1917-R1920 PolarHBondContact O-N 2.88Å; E1917-R1920 WeakPolarHBondContact OE2-CD 3.24Å; E1917-R1920 IonicContact OE2-CZ 3.64Å; E1917-R1920 IonicContact OE2-NE 3.77Å; E1917-R1920 IonicContact OE2-NH1 2.72Å; E1917-R1920 PolarHBondContact OE2-NH1 3.46Å; R1920-R1924 WeakPolarHBondContact O-CB 3.35Å; R1920-R1924 VanDerWaalsContact O-CG 3.22Å; R1920-R1924 WeakPolarHBondContact O-CG 3.45Å; R1920-R1924 PolarHBondContact O-N 2.97Å |
| 1921 | T | 72.4 | Confident | 68.3 | Low | 63 Ų | 63 | 102.1 Ų | 102.1 | 39% | 0.387 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.7 | -50.7 | 174 | -54.4 | 0 | 0 | 0 | 0 | 109.8 | E1917 A1918 K1919 E1923 R1924 D1925 | E1917-T1921 WeakPolarHBondContact O-CB 3.21Å; E1917-T1921 PolarHBondContact O-N 3.24Å; E1917-T1921 PolarHBondContact O-OG1 3.1Å; A1918-T1921 PolarHBondContact O-N 2.59Å; K1919-T1921 VanDerWaalsContact C-N 3.29Å; K1919-T1921 PolarHBondContact O-N 3.22Å; T1921-E1923 VanDerWaalsContact C-N 3.26Å; T1921-E1923 PolarHBondContact O-N 3.48Å; T1921-R1924 WeakPolarHBondContact O-CB 3.47Å; T1921-R1924 PolarHBondContact O-N 2.84Å; T1921-R1924 VanDerWaalsContact O-N 3.16Å; T1921-D1925 WeakPolarHBondContact O-CB 3.48Å; T1921-D1925 PolarHBondContact O-N 3.04Å |
| 1922 | I | 73 | Confident | 67.4 | Low | 102 Ų | 102 | 105.6 Ų | 105.6 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -28 | 173.7 | -69.4 | 167.3 | 0 | 0 | 0 | 112.2 | A1918 K1919 L1926 | A1918-I1922 VanDerWaalsContact O-CB 3.31Å; A1918-I1922 WeakPolarHBondContact O-CB 3.27Å; A1918-I1922 VanDerWaalsContact O-CG1 3.27Å; A1918-I1922 WeakPolarHBondContact O-CG1 3.39Å; A1918-I1922 PolarHBondContact O-N 3.42Å; K1919-I1922 CarbonylContact O-C 3.44Å; K1919-I1922 PolarHBondContact O-N 2.86Å; I1922-L1926 HydrophobicContact CG2-CD1 3.95Å; I1922-L1926 HydrophobicContact CG2-CG 4.41Å; I1922-L1926 WeakPolarHBondContact O-CA 3.41Å; I1922-L1926 WeakPolarHBondContact O-CB 3.49Å; I1922-L1926 VanDerWaalsContact O-CG 3.24Å; I1922-L1926 WeakPolarHBondContact O-CG 3.49Å; I1922-L1926 PolarHBondContact O-N 3.19Å |
| 1923 | E | 66.6 | Low | 66.3 | Low | 92 Ų | 92 | 105.2 Ų | 105.2 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -82.6 | -32.3 | 174.7 | -78.9 | -178.8 | 158.9 | 0 | 0 | 112.2 | K1919 T1921 Q1927 | K1919-E1923 WeakPolarHBondContact CE-OE1 3.31Å; K1919-E1923 HydrophobicContact CG-CG 4.12Å; K1919-E1923 IonicContact NZ-OE1 3.15Å; K1919-E1923 WeakPolarHBondContact O-CA 3.32Å; K1919-E1923 WeakPolarHBondContact O-CB 3.5Å; K1919-E1923 VanDerWaalsContact O-CG 3.27Å; K1919-E1923 WeakPolarHBondContact O-CG 3.4Å; K1919-E1923 PolarHBondContact O-N 3.17Å; T1921-E1923 VanDerWaalsContact C-N 3.26Å; T1921-E1923 PolarHBondContact O-N 3.48Å; E1923-Q1927 VanDerWaalsContact O-CB 3.29Å; E1923-Q1927 WeakPolarHBondContact O-CB 3.5Å; E1923-Q1927 VanDerWaalsContact O-CG 3.27Å; E1923-Q1927 WeakPolarHBondContact O-CG 3.27Å; E1923-Q1927 PolarHBondContact O-N 2.97Å |
| 1924 | R | 71.5 | Confident | 64.4 | Low | 140 Ų | 140 | 111.3 Ų | 111.3 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.9 | -46.4 | 165.1 | -76.2 | 171 | -173.6 | 123.9 | -0.8 | 109.9 | E1917 R1920 T1921 Q1927 N1928 | E1917-R1924 IonicContact OE1-NH1 3.11Å; E1917-R1924 PolarHBondContact OE1-NH1 2.91Å; E1917-R1924 VanDerWaalsContact OE1-NH1 3.11Å; E1917-R1924 IonicContact OE1-NH2 3.95Å; R1920-R1924 WeakPolarHBondContact O-CB 3.35Å; R1920-R1924 VanDerWaalsContact O-CG 3.22Å; R1920-R1924 WeakPolarHBondContact O-CG 3.45Å; R1920-R1924 PolarHBondContact O-N 2.97Å; T1921-R1924 WeakPolarHBondContact O-CB 3.47Å; T1921-R1924 PolarHBondContact O-N 2.84Å; T1921-R1924 VanDerWaalsContact O-N 3.16Å; R1924-Q1927 CarbonylContact O-C 3.52Å; R1924-Q1927 PolarHBondContact O-N 2.6Å; R1924-Q1927 VanDerWaalsContact O-N 3.14Å; R1924-N1928 WeakPolarHBondContact O-CB 3.49Å; R1924-N1928 PolarHBondContact O-N 2.85Å; R1924-N1928 PolarHBondContact O-ND2 2.8Å |
| 1925 | D | 69.7 | Low | 62.5 | Low | 80 Ų | 80 | 110.2 Ų | 110.2 | 43% | 0.428 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.9 | -34.9 | 179.8 | -68.4 | -24 | 0 | 0 | 0 | 112.1 | T1921 N1928 L1929 | T1921-D1925 WeakPolarHBondContact O-CB 3.48Å; T1921-D1925 PolarHBondContact O-N 3.04Å; D1925-N1928 PolarHBondContact O-N 2.86Å; D1925-L1929 VanDerWaalsContact O-CB 3.27Å; D1925-L1929 WeakPolarHBondContact O-CB 3.3Å; D1925-L1929 VanDerWaalsContact O-CG 3.24Å; D1925-L1929 WeakPolarHBondContact O-CG 3.29Å; D1925-L1929 PolarHBondContact O-N 2.78Å |
| 1926 | L | 59.5 | Low | 60.7 | Low | 63 Ų | 63 | 112.4 Ų | 112.4 | 33% | 0.33 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.9 | -29.5 | 167.6 | -82.4 | 169.1 | 0 | 0 | 0 | 112.4 | I1922 R1930 | I1922-L1926 HydrophobicContact CG2-CD1 3.95Å; I1922-L1926 HydrophobicContact CG2-CG 4.41Å; I1922-L1926 WeakPolarHBondContact O-CA 3.41Å; I1922-L1926 WeakPolarHBondContact O-CB 3.49Å; I1922-L1926 VanDerWaalsContact O-CG 3.24Å; I1922-L1926 WeakPolarHBondContact O-CG 3.49Å; I1922-L1926 PolarHBondContact O-N 3.19Å; L1926-R1930 WeakPolarHBondContact O-CA 3.38Å; L1926-R1930 WeakPolarHBondContact O-CB 3.39Å; L1926-R1930 WeakPolarHBondContact O-CD 3.48Å; L1926-R1930 WeakPolarHBondContact O-CG 3.28Å; L1926-R1930 PolarHBondContact O-N 2.81Å |
| 1927 | Q | 61.7 | Low | 58.9 | Low | 125 Ų | 125 | 120.3 Ų | 120.3 | 58% | 0.584 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.1 | -34.6 | 169.6 | -81.1 | -171.4 | 14.5 | 0 | 0 | 111.5 | E1923 R1924 K1931 | E1923-Q1927 VanDerWaalsContact O-CB 3.29Å; E1923-Q1927 WeakPolarHBondContact O-CB 3.5Å; E1923-Q1927 VanDerWaalsContact O-CG 3.27Å; E1923-Q1927 WeakPolarHBondContact O-CG 3.27Å; E1923-Q1927 PolarHBondContact O-N 2.97Å; R1924-Q1927 CarbonylContact O-C 3.52Å; R1924-Q1927 PolarHBondContact O-N 2.6Å; R1924-Q1927 VanDerWaalsContact O-N 3.14Å; Q1927-K1931 WeakPolarHBondContact O-CB 3.39Å; Q1927-K1931 VanDerWaalsContact O-CG 3.25Å; Q1927-K1931 WeakPolarHBondContact O-CG 3.46Å; Q1927-K1931 PolarHBondContact O-N 2.94Å |
| 1928 | N | 60.2 | Low | 57.2 | Low | 82 Ų | 82 | 122.4 Ų | 122.4 | 44% | 0.439 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.1 | -47 | 173.9 | -66.7 | -28.1 | 0 | 0 | 0 | 110.6 | R1924 D1925 K1931 L1932 | R1924-N1928 WeakPolarHBondContact O-CB 3.49Å; R1924-N1928 PolarHBondContact O-N 2.85Å; R1924-N1928 PolarHBondContact O-ND2 2.8Å; D1925-N1928 PolarHBondContact O-N 2.86Å; N1928-K1931 WeakPolarHBondContact O-CB 3.34Å; N1928-K1931 PolarHBondContact O-N 3.16Å; N1928-L1932 VanDerWaalsContact O-CD1 3.25Å; N1928-L1932 WeakPolarHBondContact O-CD1 3.4Å; N1928-L1932 PolarHBondContact O-N 2.73Å |
| 1929 | L | 54.2 | Low | 55.5 | Low | 107 Ų | 107 | 128.1 Ų | 128.1 | 56% | 0.56 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.4 | -36.8 | 175.7 | -71.7 | 165.1 | 0 | 0 | 0 | 112.9 | D1925 K1931 L1932 S1933 | D1925-L1929 VanDerWaalsContact O-CB 3.27Å; D1925-L1929 WeakPolarHBondContact O-CB 3.3Å; D1925-L1929 VanDerWaalsContact O-CG 3.24Å; D1925-L1929 WeakPolarHBondContact O-CG 3.29Å; D1925-L1929 PolarHBondContact O-N 2.78Å; L1929-K1931 VanDerWaalsContact C-N 3.29Å; L1929-K1931 PolarHBondContact O-N 3.48Å; L1929-L1932 CarbonylContact O-C 3.51Å; L1929-L1932 WeakPolarHBondContact O-CA 3.5Å; L1929-L1932 PolarHBondContact O-N 2.75Å; L1929-S1933 PolarHBondContact O-N 3.01Å |
| 1930 | R | 53.9 | Low | 54 | Low | 176 Ų | 176 | 133.2 Ų | 133.2 | 66% | 0.664 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.7 | -17.4 | 172.5 | -70.5 | 167.8 | 175.2 | 169 | -0.7 | 113.1 | L1926 | L1926-R1930 WeakPolarHBondContact O-CA 3.38Å; L1926-R1930 WeakPolarHBondContact O-CB 3.39Å; L1926-R1930 WeakPolarHBondContact O-CD 3.48Å; L1926-R1930 WeakPolarHBondContact O-CG 3.28Å; L1926-R1930 PolarHBondContact O-N 2.81Å |
| 1931 | K | 54.5 | Low | 52.3 | Low | 161 Ų | 161 | 134.3 Ų | 134.3 | 70% | 0.7 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.8 | -24.8 | 164 | -79.7 | 169.9 | -179.4 | 171.9 | 0 | 112.3 | Q1927 N1928 L1929 | Q1927-K1931 WeakPolarHBondContact O-CB 3.39Å; Q1927-K1931 VanDerWaalsContact O-CG 3.25Å; Q1927-K1931 WeakPolarHBondContact O-CG 3.46Å; Q1927-K1931 PolarHBondContact O-N 2.94Å; N1928-K1931 WeakPolarHBondContact O-CB 3.34Å; N1928-K1931 PolarHBondContact O-N 3.16Å; L1929-K1931 VanDerWaalsContact C-N 3.29Å; L1929-K1931 PolarHBondContact O-N 3.48Å |
| 1932 | L | 52.8 | Low | 50.3 | Low | 152 Ų | 152 | 139.8 Ų | 139.8 | 80% | 0.796 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -87.8 | -24.7 | 172.1 | -86.9 | 84.6 | 0 | 0 | 0 | 114.3 | N1928 L1929 | N1928-L1932 VanDerWaalsContact O-CD1 3.25Å; N1928-L1932 WeakPolarHBondContact O-CD1 3.4Å; N1928-L1932 PolarHBondContact O-N 2.73Å; L1929-L1932 CarbonylContact O-C 3.51Å; L1929-L1932 WeakPolarHBondContact O-CA 3.5Å; L1929-L1932 PolarHBondContact O-N 2.75Å |
| 1933 | S | 45.1 | Very low | 48.8 | Very low | 85 Ų | 85 | 139.8 Ų | 139.8 | 59% | 0.594 | 68% | 0.678 | S | S | * | * | trans | -115 | 102.6 | -175 | -167.6 | 0 | 0 | 0 | 0 | 113.5 | L1929 | L1929-S1933 PolarHBondContact O-N 3.01Š| ||
| 1934 | R | 35.5 | Very low | 47.5 | Very low | 235 Ų | 235 | 141.4 Ų | 141.4 | 89% | 0.887 | 70% | 0.695 | S | S | * | * | trans | -108.3 | 94.8 | 173.6 | -78.6 | 178 | 163.5 | 179.7 | -4.2 | 111.5 | ||||
| 1935 | T | 37.2 | Very low | 45.8 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 73% | 0.73 | 71% | 0.709 | S | S | * | * | trans | -163.9 | 130 | 154.6 | 11 | 0 | 0 | 0 | 0 | 113 | ||||
| 1936 | T | 35.2 | Very low | 44 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 87% | 0.865 | 73% | 0.73 | S | S | * | * | trans | 58.1 | 155.8 | 155.5 | 44.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1937 | R | 33.7 | Very low | 42.9 | Very low | 242 Ų | 242 | 147.5 Ų | 147.5 | 91% | 0.913 | 75% | 0.75 | S | S | * | * | trans | -126.4 | 160.6 | -175.5 | -68.4 | 174.8 | 169.2 | 171.1 | -5.3 | 110.5 | ||||
| 1938 | P | 39.9 | Very low | 41.7 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | -149 | 173.2 | 120.5 | 38.8 | -23.3 | 0 | 0 | 0 | 117.2 | |||||
| 1939 | N | 40.7 | Very low | 40.8 | Very low | 167 Ų | 167 | 151.3 Ų | 151.3 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | 70.2 | 156.2 | 158 | -76.3 | 7.4 | 0 | 0 | 0 | 122.9 | ||||
| 1940 | R | 41.5 | Very low | 40.5 | Very low | 219 Ų | 219 | 149.7 Ų | 149.7 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -152.5 | 140.3 | -160.8 | -125.7 | -176.9 | 173.8 | -175.6 | -3.4 | 110.8 | ||||
| 1941 | Q | 39.4 | Very low | 40 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | 54.3 | 103.4 | 145.1 | -68.5 | 168.4 | -62.1 | 0 | 0 | 120.6 | ||||
| 1942 | L | 30.3 | Very low | 39.8 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 93% | 0.927 | 75% | 0.745 | S | S | * | * | trans | -126.5 | 119.4 | 137.2 | -102.9 | 164.7 | 0 | 0 | 0 | 107.2 | ||||
| 1943 | P | 41 | Very low | 39.8 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 66% | 0.662 | 72% | 0.721 | S | S | * | * | trans | -118.3 | 168.9 | 174.5 | 39.2 | -29.7 | 0 | 0 | 0 | 113 | ||||
| 1944 | T | 39 | Very low | 40.2 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | cis | -176.8 | 110.4 | -28 | -80.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1945 | V | 35.7 | Very low | 40.8 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | trans | -150.6 | 148.6 | 164.4 | -165.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1946 | L | 32.6 | Very low | 41.1 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 88% | 0.88 | 71% | 0.708 | S | S | * | * | trans | 82.8 | 159 | 178.4 | -68 | 163.2 | 0 | 0 | 0 | 118.7 | ||||
| 1947 | S | 35.8 | Very low | 41.6 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 74% | 0.741 | 70% | 0.701 | S | S | * | * | trans | 72.3 | 152.2 | -179.9 | -174.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1948 | T | 37.2 | Very low | 41.8 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 77% | 0.767 | 69% | 0.688 | S | S | * | * | 172.7 | 143.2 | -55.6 | 35.3 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 1949 | L | 42.1 | Very low | 41.8 | Very low | 162 Ų | 162 | 123.8 Ų | 123.8 | 85% | 0.848 | 68% | 0.675 | S | S | * | * | trans | -152.2 | 139 | 171.5 | -74.1 | 175.3 | 0 | 0 | 0 | 105.7 | ||||
| 1950 | S | 47.9 | Very low | 41.9 | Very low | 73 Ų | 73 | 120.4 Ų | 120.4 | 51% | 0.51 | 67% | 0.665 | S | S | . | * | cis | -144.7 | 162.3 | 4.4 | -85.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1951 | P | 42 | Very low | 41.8 | Very low | 74 Ų | 74 | 115.5 Ų | 115.5 | 48% | 0.481 | 66% | 0.659 | S | S | . | * | trans | -84 | 166.4 | -174.9 | 34.9 | -37.8 | 0 | 0 | 0 | 114.1 | L1908 | L1908-P1951 HydrophobicContact CD1-CG 4.06Å; L1908-P1951 WeakPolarHBondContact CD1-O 3.4Å; L1908-P1951 HydrophobicContact CD2-CG 4.39Å | ||
| 1952 | D | 51.1 | Low | 42 | Very low | 45 Ų | 45 | 114.9 Ų | 114.9 | 24% | 0.241 | 66% | 0.66 | C | S | . | * | 160.8 | 137.4 | 110.3 | -85.2 | -34.3 | 0 | 0 | 0 | 119.4 | R1904 | R1904-D1952 HydrophobicContact CB-CB 3.86Å; R1904-D1952 HydrophobicContact CG-CB 4.3Å; R1904-D1952 VanDerWaalsContact CZ-CB 3.44Å; R1904-D1952 IonicContact CZ-OD1 2.68Å; R1904-D1952 IonicContact CZ-OD2 3.72Å; R1904-D1952 VanDerWaalsContact NE-CB 3.32Å; R1904-D1952 IonicContact NE-OD1 3.78Å; R1904-D1952 IonicContact NE-OD2 3.11Å; R1904-D1952 PolarHBondContact NE-OD2 3.15Å; R1904-D1952 IonicContact NH1-OD1 2.64Å; R1904-D1952 IonicContact NH1-OD2 3.92Å; R1904-D1952 IonicContact NH2-OD1 2.68Å; R1904-D1952 PolarHBondContact NH2-OD1 3.31Å; R1904-D1952 IonicContact NH2-OD2 3.78Å; R1904-D1952 PolarHBondContact NH2-OD2 2.9Å | |||
| 1953 | V | 53.4 | Low | 42.3 | Very low | 48 Ų | 48 | 114.3 Ų | 114.3 | 29% | 0.291 | 65% | 0.653 | S | S | . | * | trans | 104.1 | 98.5 | 143.7 | 101.4 | 0 | 0 | 0 | 0 | 122.1 | R1900 | R1900-V1953 HydrophobicContact CB-CG1 4.09Š| ||
| 1954 | T | 52.5 | Low | 42.7 | Very low | 93 Ų | 93 | 115.5 Ų | 115.5 | 57% | 0.571 | 65% | 0.653 | S | S | * | * | trans | 60.1 | 128.3 | 135.1 | 61.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1955 | V | 48.4 | Very low | 42.8 | Very low | 119 Ų | 119 | 116.9 Ų | 116.9 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | 72.2 | 111.9 | 126.2 | 172 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1956 | D | 42.7 | Very low | 43 | Very low | 123 Ų | 123 | 115.1 Ų | 115.1 | 66% | 0.658 | 65% | 0.649 | S | S | * | * | cis | -139.8 | 154.2 | 11.4 | -94.1 | -27.7 | 0 | 0 | 0 | 115.3 | ||||
| 1957 | E | 47.3 | Very low | 43.3 | Very low | 152 Ų | 152 | 114.2 Ų | 114.2 | 71% | 0.71 | 64% | 0.644 | S | S | * | * | trans | 26.9 | 132.5 | 137 | -57.2 | -168.6 | 140.3 | 0 | 0 | 120.1 | ||||
| 1958 | H | 37.9 | Very low | 43.6 | Very low | 136 Ų | 136 | 116.2 Ų | 116.2 | 63% | 0.63 | 65% | 0.652 | S | S | * | * | cis | -145 | 139.2 | 11.8 | -98.9 | -29.9 | 0 | 0 | 0 | 112.7 | ||||
| 1959 | N | 40 | Very low | 43.5 | Very low | 98 Ų | 98 | 114.8 Ų | 114.8 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | trans | 70.2 | 125.4 | 157 | -58.1 | -33.6 | 0 | 0 | 0 | 115.9 | ||||
| 1960 | S | 41.7 | Very low | 43.1 | Very low | 95 Ų | 95 | 115.1 Ų | 115.1 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | cis | 60.9 | 115.4 | 39.8 | 88.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 1961 | V | 39.6 | Very low | 42.3 | Very low | 116 Ų | 116 | 121 Ų | 121 | 70% | 0.703 | 67% | 0.666 | S | S | * | * | -171.6 | 168.4 | 74 | 153 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 1962 | N | 44 | Very low | 42.2 | Very low | 138 Ų | 138 | 120.7 Ų | 120.7 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | trans | -9 | 145.2 | 156.1 | -41.1 | -12.9 | 0 | 0 | 0 | 116.2 | ||||
| 1963 | E | 35.6 | Very low | 41.7 | Very low | 164 Ų | 164 | 123.9 Ų | 123.9 | 77% | 0.766 | 70% | 0.702 | S | S | * | * | -147.1 | 159.8 | 52.3 | -96.2 | -168.9 | 157.5 | 0 | 0 | 116.4 | D1965 | E1963-D1965 PolarHBondContact O-N 3.11Å; E1963-D1965 VanDerWaalsContact O-N 3.07Å | |||
| 1964 | L | 49.2 | Very low | 41.3 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 67% | 0.665 | 73% | 0.725 | S | S | * | * | 9.6 | 83.5 | 127.7 | -73.2 | 120.2 | 0 | 0 | 0 | 116.8 | |||||
| 1965 | D | 41.3 | Very low | 41 | Very low | 157 Ų | 157 | 126 Ų | 126 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | 53.6 | 74 | 115.1 | -55.3 | -48.1 | 0 | 0 | 0 | 115.9 | E1963 | E1963-D1965 PolarHBondContact O-N 3.11Å; E1963-D1965 VanDerWaalsContact O-N 3.07Å | |||
| 1966 | S | 40.9 | Very low | 40.9 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | trans | -150.2 | 164.9 | 177.4 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1967 | I | 38.8 | Very low | 41.2 | Very low | 150 Ų | 150 | 123 Ų | 123 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | 69 | 116.5 | 171.9 | -52.1 | 173.5 | 0 | 0 | 0 | 116.9 | ||||
| 1968 | T | 42.2 | Very low | 41.2 | Very low | 148 Ų | 148 | 121.5 Ų | 121.5 | 91% | 0.908 | 73% | 0.727 | S | S | * | * | trans | -130.9 | 119.7 | 152.8 | 52.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1969 | S | 35.2 | Very low | 41.8 | Very low | 94 Ų | 94 | 116.8 Ų | 116.8 | 66% | 0.657 | 71% | 0.707 | S | S | * | * | trans | -102 | 135.4 | -171.5 | 44.4 | 0 | 0 | 0 | 0 | 113.7 | F1971 | S1969-F1971 PolarHBondContact O-N 3.02Š| ||
| 1970 | D | 32.4 | Very low | 42.2 | Very low | 170 Ų | 170 | 114.5 Ų | 114.5 | 91% | 0.909 | 70% | 0.695 | S | S | * | * | trans | -66.8 | 99.2 | 144.5 | -95.6 | -46 | 0 | 0 | 0 | 107.6 | ||||
| 1971 | F | 32.5 | Very low | 42.5 | Very low | 196 Ų | 196 | 112.6 Ų | 112.6 | 86% | 0.86 | 68% | 0.678 | S | S | * | * | trans | -150.4 | 126.7 | 156.8 | -116.8 | -76.3 | 0 | 0 | 0 | 111.1 | S1969 | S1969-F1971 PolarHBondContact O-N 3.02Š| ||
| 1972 | G | 38.6 | Very low | 42.9 | Very low | 67 Ų | 67 | 109 Ų | 109 | 69% | 0.691 | 66% | 0.656 | S | S | * | * | trans | -93.8 | 147.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1973 | S | 41.7 | Very low | 43.1 | Very low | 112 Ų | 112 | 104.5 Ų | 104.5 | 78% | 0.783 | 63% | 0.632 | S | S | * | * | trans | 75.3 | 115.7 | 154.5 | -149.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1974 | S | 45.2 | Very low | 43.7 | Very low | 112 Ų | 112 | 103.2 Ų | 103.2 | 78% | 0.783 | 63% | 0.63 | S | S | * | * | trans | 44.5 | 127.1 | 135.9 | 62.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1975 | G | 45.5 | Very low | 43.8 | Very low | 75 Ų | 75 | 105 Ų | 105 | 77% | 0.773 | 64% | 0.64 | S | S | * | * | cis | 179.2 | -161.2 | 11.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1976 | S | 47.3 | Very low | 44.2 | Very low | 106 Ų | 106 | 100.9 Ų | 100.9 | 74% | 0.741 | 63% | 0.628 | S | S | * | * | cis | -171.6 | 132.4 | 15.5 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1977 | V | 48.3 | Very low | 44.4 | Very low | 72 Ų | 72 | 98.4 Ų | 98.4 | 44% | 0.436 | 61% | 0.611 | S | S | . | * | trans | 72.9 | 146.4 | 149.9 | -164 | 0 | 0 | 0 | 0 | 113.1 | E1875 | E1875-V1977 WeakPolarHBondContact OE1-CG2 3.29Š| ||
| 1978 | V | 47 | Very low | 44.9 | Very low | 121 Ų | 121 | 94.9 Ų | 94.9 | 73% | 0.733 | 60% | 0.596 | S | S | * | * | -153.4 | 109 | 51 | 175.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1979 | T | 50.1 | Low | 44.8 | Very low | 37 Ų | 37 | 90 Ų | 90 | 23% | 0.227 | 57% | 0.567 | C | S | . | * | trans | 49.6 | 133.6 | 142.8 | 70.9 | 0 | 0 | 0 | 0 | 123.6 | K1879 S1882 | K1879-T1979 HydrophobicContact CB-CG2 4.1Å; K1879-T1979 HydrophobicContact CG-CG2 3.37Å; S1882-T1979 WeakPolarHBondContact OG-CB 3.26Å; S1882-T1979 WeakPolarHBondContact OG-CG2 3.39Å; S1882-T1979 PolarHBondContact OG-OG1 2.83Å | ||
| 1980 | N | 48.3 | Very low | 45.5 | Very low | 49 Ų | 49 | 88.8 Ų | 88.8 | 26% | 0.262 | 56% | 0.559 | S | S | . | * | 179.1 | 143.9 | 108.6 | -69.7 | -29.4 | 0 | 0 | 0 | 113.4 | S1882 S1883 Q1886 N1887 | S1882-N1980 PolarHBondContact O-OD1 2.9Å; S1882-N1980 PolarHBondContact OG-OD1 3.39Å; S1883-N1980 PolarHBondContact N-OD1 3.24Å; S1883-N1980 CarbonylContact O-C 3.49Å; S1883-N1980 WeakPolarHBondContact OG-CA 3.07Å; S1883-N1980 PolarHBondContact OG-N 2.91Å; Q1886-N1980 HydrophobicContact CB-CB 3.24Å; Q1886-N1980 HydrophobicContact CG-CB 3.34Å; Q1886-N1980 PolarHBondContact OE1-ND2 3.1Å; N1887-N1980 PolarHBondContact OD1-O 3.06Å | |||
| 1981 | N | 48.5 | Very low | 46.2 | Very low | 56 Ų | 56 | 84 Ų | 84 | 30% | 0.299 | 54% | 0.543 | S | S | . | . | trans | -136.3 | -179.4 | -169.3 | -52.1 | 12.3 | 0 | 0 | 0 | 118.9 | K1879 S1883 C1884 N1887 | K1879-N1981 VanDerWaalsContact O-CG 3.31Å; K1879-N1981 PolarHBondContact O-ND2 3.29Å; K1879-N1981 PolarHBondContact O-OD1 3.34Å; S1883-N1981 CarbonylContact C-O 3.48Å; S1883-N1981 VanDerWaalsContact CB-CB 3.49Å; S1883-N1981 VanDerWaalsContact CB-OD1 3.26Å; S1883-N1981 WeakPolarHBondContact CB-OD1 3.41Å; S1883-N1981 CarbonylContact O-C 3.45Å; S1883-N1981 WeakPolarHBondContact O-CA 3.41Å; S1883-N1981 PolarHBondContact O-N 3.1Å; S1883-N1981 PolarHBondContact OG-N 2.93Å; S1883-N1981 PolarHBondContact OG-OD1 2.82Å; C1884-N1981 CarbonylContact C-O 3.39Å; C1884-N1981 VanDerWaalsContact C-O 3.27Å; C1884-N1981 WeakPolarHBondContact CA-O 3.35Å; C1884-N1981 PolarHBondContact N-O 3.2Å; N1887-N1981 WeakPolarHBondContact CA-O 3.39Å; N1887-N1981 PolarHBondContact N-O 3.09Å; N1887-N1981 WeakPolarHBondContact OD1-CA 2.89Å; N1887-N1981 PolarHBondContact OD1-N 2.9Å | ||
| 1982 | T | 47.5 | Very low | 46.9 | Very low | 41 Ų | 41 | 80.7 Ų | 80.7 | 25% | 0.252 | 53% | 0.534 | S | S | . | . | trans | 54.7 | 142.3 | 159.8 | 89.4 | 0 | 0 | 0 | 0 | 122.6 | C1884 N1887 K1888 | C1884-T1982 VanDerWaalsContact CA-OG1 3.23Å; C1884-T1982 WeakPolarHBondContact CA-OG1 3.28Å; C1884-T1982 PolarHBondContact SG-OG1 3.31Å; N1887-T1982 CarbonylContact C-O 3.54Å; N1887-T1982 VanDerWaalsContact CB-N 3.26Å; N1887-T1982 CarbonylContact O-C 3.57Å; N1887-T1982 VanDerWaalsContact O-O 3.07Å; K1888-T1982 PolarHBondContact N-O 3.17Å | ||
| 1983 | N | 49.3 | Very low | 47.2 | Very low | 43 Ų | 43 | 84.3 Ų | 84.3 | 23% | 0.23 | 53% | 0.533 | C | S | . | . | -163.4 | 136.4 | 69.3 | -90.3 | -93 | 0 | 0 | 0 | 116.4 | K1888 | K1888-N1983 WeakPolarHBondContact CD-ND2 3.45Å; K1888-N1983 WeakPolarHBondContact CE-ND2 3.28Å; K1888-N1983 HydrophobicContact CG-CB 4.39Å; K1888-N1983 VanDerWaalsContact NZ-CG 3.3Å; K1888-N1983 PolarHBondContact NZ-ND2 2.95Å; K1888-N1983 PolarHBondContact NZ-OD1 3.05Å | |||
| 1984 | N | 47 | Very low | 47.4 | Very low | 136 Ų | 136 | 90.1 Ų | 90.1 | 73% | 0.727 | 56% | 0.555 | S | S | * | * | trans | 54 | 130.4 | 136.6 | -52.2 | -5.4 | 0 | 0 | 0 | 126 | ||||
| 1985 | N | 51.4 | Low | 47.5 | Very low | 164 Ų | 164 | 89.1 Ų | 89.1 | 88% | 0.877 | 54% | 0.544 | S | S | * | . | trans | 165.8 | 172.9 | 142.9 | -90.7 | -46.1 | 0 | 0 | 0 | 112.9 | ||||
| 1986 | A | 50.6 | Low | 47.7 | Very low | 71 Ų | 71 | 89.8 Ų | 89.8 | 59% | 0.587 | 53% | 0.532 | S | S | * | . | -168.8 | 108.8 | -52.7 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 1987 | S | 44 | Very low | 47.7 | Very low | 46 Ų | 46 | 88.9 Ų | 88.9 | 32% | 0.322 | 52% | 0.52 | S | S | . | . | trans | 76.4 | 144.7 | 150.2 | 59.7 | 0 | 0 | 0 | 0 | 131.8 | V1232 | V1232-S1987 VanDerWaalsContact C-CA 3.5Å; V1232-S1987 WeakPolarHBondContact CG1-O 3.29Å; V1232-S1987 CarbonylContact O-C 3.5Å; V1232-S1987 WeakPolarHBondContact O-CA 3.24Å; V1232-S1987 WeakPolarHBondContact O-CB 3.21Å | ||
| 1988 | T | 50.4 | Low | 47.6 | Very low | 76 Ų | 76 | 89.9 Ų | 89.9 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | trans | 88.3 | 0 | 178.2 | 75.6 | 0 | 0 | 0 | 0 | 123.4 | R1229 V1232 | R1229-T1988 CarbonylContact C-O 3.46Å; R1229-T1988 WeakPolarHBondContact CA-O 3.34Å; R1229-T1988 VanDerWaalsContact CB-O 3.22Å; R1229-T1988 WeakPolarHBondContact CB-O 3.26Å; R1229-T1988 WeakPolarHBondContact CG-O 3.4Å; R1229-T1988 CarbonylContact O-C 3.59Å; V1232-T1988 WeakPolarHBondContact CG1-O 3.27Å; V1232-T1988 PolarHBondContact O-N 3.32Å | ||
| 1989 | P | 41 | Very low | 47.7 | Very low | 45 Ų | 45 | 87.9 Ų | 87.9 | 29% | 0.292 | 51% | 0.512 | S | S | . | . | 0 | 156.9 | 0 | 14.7 | 10.8 | 0 | 0 | 0 | 125.1 | R1229 Q1233 | R1229-P1989 VanDerWaalsContact CB-O 3.24Å; R1229-P1989 WeakPolarHBondContact CB-O 3.47Å; R1229-P1989 WeakPolarHBondContact CD-O 3.28Å; R1229-P1989 WeakPolarHBondContact O-CA 3.42Å; Q1233-P1989 HydrophobicContact CB-CB 3.77Å; Q1233-P1989 HydrophobicContact CG-CB 4.25Å | |||
| 1990 | S | 48.7 | Very low | 47.5 | Very low | 70 Ų | 70 | 91.3 Ų | 91.3 | 49% | 0.49 | 53% | 0.531 | S | S | . | . | trans | 72.5 | 137.2 | 140.7 | 72.6 | 0 | 0 | 0 | 0 | 129.9 | ||||
| 1991 | A | 46.7 | Very low | 47.5 | Very low | 68 Ų | 68 | 94.4 Ų | 94.4 | 56% | 0.562 | 55% | 0.551 | S | S | * | * | trans | 123 | 128 | 130.9 | 0 | 0 | 0 | 0 | 0 | 124.1 | S1226 | S1226-A1991 PolarHBondContact OG-O 2.88Š| ||
| 1992 | N | 48.1 | Very low | 47.4 | Very low | 127 Ų | 127 | 97.3 Ų | 97.3 | 68% | 0.679 | 57% | 0.57 | S | S | * | * | trans | 42.6 | 131 | 158 | -70.6 | 48.7 | 0 | 0 | 0 | 127.9 | ||||
| 1993 | E | 45.7 | Very low | 47.4 | Very low | 143 Ų | 143 | 102 Ų | 102 | 67% | 0.668 | 60% | 0.596 | S | S | * | * | 37.5 | 133.4 | 129.1 | -59.1 | 162.4 | 161 | 0 | 0 | 120.7 | |||||
| 1994 | N | 45.6 | Very low | 47.2 | Very low | 235 Ų | 235 | 107.4 Ų | 107.4 | 100% | 1.257 | 63% | 0.63 | S | S | * | * | cis | -122.1 | 0 | 1.3 | -89.7 | -19.3 | 0 | 0 | 0 | 110.6 |
Retrieved 1,994 of 1,994 residues in 1375.8 ms
(Link to these results)