| 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 | 59.3 | Low | 81.8 | Confident | 198 Ų | 198 | 114.4 Ų | 114.4 | 98% | 0.975 | 58% | 0.577 | S | S | * | * | 0 | -74.1 | 0 | -68.5 | -106.3 | -124.2 | 0 | 0 | 111.6 | V3 D4 E5 | M1-V3 PolarHBondContact O-N 2.94Å; M1-D4 VanDerWaalsContact CA-OD2 3.23Å; M1-D4 WeakPolarHBondContact CA-OD2 3.32Å; M1-D4 PolarHBondContact N-OD2 2.98Å; M1-D4 PolarHBondContact O-N 3.43Å; M1-E5 PolarHBondContact O-N 3.47Å | |||
| 2 | L | 72.3 | Confident | 82.4 | Confident | 159 Ų | 159 | 114.3 Ų | 114.3 | 83% | 0.832 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -57.7 | -42.5 | -178.7 | -85.8 | 162.3 | 0 | 0 | 0 | 113.7 | D4 E5 S6 | L2-D4 VanDerWaalsContact C-N 3.35Å; L2-D4 PolarHBondContact O-N 3.15Å; L2-E5 PolarHBondContact O-N 3.35Å; L2-S6 PolarHBondContact O-N 2.91Å; L2-S6 VanDerWaalsContact O-N 3.12Å; L2-S6 PolarHBondContact O-OG 3.26Å |
| 3 | V | 81.9 | Confident | 82.9 | Confident | 109 Ų | 109 | 112.4 Ų | 112.4 | 66% | 0.661 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.8 | -36.6 | 179.7 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | M1 S6 R7 | M1-V3 PolarHBondContact O-N 2.94Å; V3-S6 WeakPolarHBondContact CA-OG 3.46Å; V3-S6 PolarHBondContact O-OG 3.16Å; V3-R7 WeakPolarHBondContact O-CB 3.39Å; V3-R7 PolarHBondContact O-N 3.48Å |
| 4 | D | 82.2 | Confident | 83.1 | Confident | 93 Ų | 93 | 105.3 Ų | 105.3 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.2 | -39 | -179.3 | -49.6 | -70.9 | 0 | 0 | 0 | 111.1 | M1 L2 R7 K8 | M1-D4 VanDerWaalsContact CA-OD2 3.23Å; M1-D4 WeakPolarHBondContact CA-OD2 3.32Å; M1-D4 PolarHBondContact N-OD2 2.98Å; M1-D4 PolarHBondContact O-N 3.43Å; L2-D4 VanDerWaalsContact C-N 3.35Å; L2-D4 PolarHBondContact O-N 3.15Å; D4-R7 PolarHBondContact O-N 2.98Å; D4-K8 WeakPolarHBondContact O-CG 3.29Å; D4-K8 PolarHBondContact O-N 3.46Å; D4-K8 VanDerWaalsContact O-N 3.07Å |
| 5 | E | 87.1 | Confident | 83.2 | Confident | 98 Ų | 98 | 103.9 Ų | 103.9 | 46% | 0.458 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -70.9 | -43 | 178.1 | -156.9 | 63.2 | -168.6 | 0 | 0 | 111.6 | M1 L2 R7 K8 L9 | M1-E5 PolarHBondContact O-N 3.47Å; L2-E5 PolarHBondContact O-N 3.35Å; E5-R7 PolarHBondContact O-N 2.88Å; E5-K8 PolarHBondContact O-N 3.3Å; E5-K8 IonicContact OE2-NZ 3.99Å; E5-K8 PolarHBondContact OE2-NZ 2.95Å; E5-L9 WeakPolarHBondContact O-CG 3.47Å; E5-L9 PolarHBondContact O-N 3.45Å |
| 6 | S | 84.9 | Confident | 83.5 | Confident | 66 Ų | 66 | 105.1 Ų | 105.1 | 46% | 0.462 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.4 | -34 | 172.7 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | L2 V3 L10 | L2-S6 PolarHBondContact O-N 2.91Å; L2-S6 VanDerWaalsContact O-N 3.12Å; L2-S6 PolarHBondContact O-OG 3.26Å; V3-S6 WeakPolarHBondContact CA-OG 3.46Å; V3-S6 PolarHBondContact O-OG 3.16Å; S6-L10 VanDerWaalsContact O-CB 3.29Å; S6-L10 WeakPolarHBondContact O-CB 3.43Å; S6-L10 PolarHBondContact O-N 2.9Å |
| 7 | R | 84.7 | Confident | 83.6 | Confident | 165 Ų | 165 | 106.7 Ų | 106.7 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.3 | -36.9 | 177.3 | -172 | 177 | -179.3 | -142.9 | -1 | 112.1 | V3 D4 E5 N11 | V3-R7 WeakPolarHBondContact O-CB 3.39Å; V3-R7 PolarHBondContact O-N 3.48Å; D4-R7 PolarHBondContact O-N 2.98Å; E5-R7 PolarHBondContact O-N 2.88Å; R7-N11 VanDerWaalsContact O-CG 3.22Å; R7-N11 PolarHBondContact O-N 3.31Å; R7-N11 PolarHBondContact O-ND2 3Å |
| 8 | K | 87.3 | Confident | 83.4 | Confident | 120 Ų | 120 | 104.4 Ų | 104.4 | 52% | 0.522 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.3 | -51.8 | 172.5 | -69.1 | 173.8 | -160.9 | 160.5 | 0 | 111.4 | D4 E5 L10 N11 E12 | D4-K8 WeakPolarHBondContact O-CG 3.29Å; D4-K8 PolarHBondContact O-N 3.46Å; D4-K8 VanDerWaalsContact O-N 3.07Å; E5-K8 PolarHBondContact O-N 3.3Å; E5-K8 IonicContact OE2-NZ 3.99Å; E5-K8 PolarHBondContact OE2-NZ 2.95Å; K8-L10 VanDerWaalsContact C-N 3.26Å; K8-L10 PolarHBondContact O-N 3.12Å; K8-N11 PolarHBondContact O-N 3Å; K8-N11 VanDerWaalsContact O-N 3.08Å; K8-E12 WeakPolarHBondContact O-CB 3.5Å; K8-E12 PolarHBondContact O-N 3.47Å |
| 9 | L | 89.4 | Confident | 83.3 | Confident | 91 Ų | 91 | 105.4 Ų | 105.4 | 48% | 0.476 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.9 | -38.4 | 178.7 | -68.8 | 171.3 | 0 | 0 | 0 | 111.9 | E5 E12 L13 | E5-L9 WeakPolarHBondContact O-CG 3.47Å; E5-L9 PolarHBondContact O-N 3.45Å; L9-E12 PolarHBondContact O-N 2.69Å; L9-L13 WeakPolarHBondContact O-CB 3.31Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.32Å |
| 10 | L | 86.1 | Confident | 82.9 | Confident | 96 Ų | 96 | 104.2 Ų | 104.2 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 174.3 | -178.2 | 61.8 | 0 | 0 | 0 | 111.7 | S6 K8 E12 L13 I14 | S6-L10 VanDerWaalsContact O-CB 3.29Å; S6-L10 WeakPolarHBondContact O-CB 3.43Å; S6-L10 PolarHBondContact O-N 2.9Å; K8-L10 VanDerWaalsContact C-N 3.26Å; K8-L10 PolarHBondContact O-N 3.12Å; L10-E12 VanDerWaalsContact C-N 3.34Å; L10-E12 PolarHBondContact O-N 2.68Å; L10-L13 PolarHBondContact O-N 2.99Å; L10-I14 HydrophobicContact CD1-CD1 4.12Å; L10-I14 HydrophobicContact CD1-CG1 4.4Å; L10-I14 HydrophobicContact CG-CD1 3.8Å; L10-I14 WeakPolarHBondContact O-CB 3.45Å; L10-I14 WeakPolarHBondContact O-CD1 3.48Å; L10-I14 WeakPolarHBondContact O-CG1 3.23Å; L10-I14 PolarHBondContact O-N 3.08Å |
| 11 | N | 84.4 | Confident | 82.2 | Confident | 63 Ų | 63 | 104.9 Ų | 104.9 | 34% | 0.337 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.7 | -35.7 | 177.1 | -70.5 | -23 | 0 | 0 | 0 | 112.9 | R7 K8 S15 | R7-N11 VanDerWaalsContact O-CG 3.22Å; R7-N11 PolarHBondContact O-N 3.31Å; R7-N11 PolarHBondContact O-ND2 3Å; K8-N11 PolarHBondContact O-N 3Å; K8-N11 VanDerWaalsContact O-N 3.08Å; N11-S15 WeakPolarHBondContact O-CB 3.27Å; N11-S15 PolarHBondContact O-N 3.27Å; N11-S15 PolarHBondContact O-OG 3.27Å |
| 12 | E | 89.3 | Confident | 82.8 | Confident | 113 Ų | 113 | 102.7 Ų | 102.7 | 53% | 0.528 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.7 | -52.8 | 173.7 | -172.5 | 173.9 | -167.9 | 0 | 0 | 110.5 | K8 L9 L10 I14 S15 D16 | K8-E12 WeakPolarHBondContact O-CB 3.5Å; K8-E12 PolarHBondContact O-N 3.47Å; L9-E12 PolarHBondContact O-N 2.69Å; L10-E12 VanDerWaalsContact C-N 3.34Å; L10-E12 PolarHBondContact O-N 2.68Å; E12-I14 PolarHBondContact O-N 3.44Å; E12-S15 WeakPolarHBondContact O-CA 3.33Å; E12-S15 WeakPolarHBondContact O-CB 3.46Å; E12-S15 PolarHBondContact O-N 2.97Å; E12-D16 PolarHBondContact O-N 3.07Å |
| 13 | L | 88.9 | Confident | 82.5 | Confident | 90 Ų | 90 | 101.5 Ų | 101.5 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 175.5 | -71.6 | 168.9 | 0 | 0 | 0 | 112.8 | L9 L10 S15 D16 F17 | L9-L13 WeakPolarHBondContact O-CB 3.31Å; L9-L13 VanDerWaalsContact O-CG 3.31Å; L9-L13 WeakPolarHBondContact O-CG 3.49Å; L9-L13 PolarHBondContact O-N 3.32Å; L10-L13 PolarHBondContact O-N 2.99Å; L13-S15 VanDerWaalsContact C-N 3.26Å; L13-S15 PolarHBondContact O-N 3.47Å; L13-D16 PolarHBondContact O-N 3.46Å; L13-F17 HydrophobicContact CB-CE2 4.49Å; L13-F17 WeakPolarHBondContact O-CD2 3.35Å; L13-F17 PolarHBondContact O-N 3.3Å |
| 14 | I | 85.1 | Confident | 81.7 | Confident | 13 Ų | 13 | 100.4 Ų | 100.4 | 7% | 0.067 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -57.1 | -43.1 | 174.8 | -74.6 | 165.3 | 0 | 0 | 0 | 110.7 | L10 E12 F17 G18 W19 L24 | L10-I14 HydrophobicContact CD1-CD1 4.12Å; L10-I14 HydrophobicContact CD1-CG1 4.4Å; L10-I14 HydrophobicContact CG-CD1 3.8Å; L10-I14 WeakPolarHBondContact O-CB 3.45Å; L10-I14 WeakPolarHBondContact O-CD1 3.48Å; L10-I14 WeakPolarHBondContact O-CG1 3.23Å; L10-I14 PolarHBondContact O-N 3.08Å; E12-I14 PolarHBondContact O-N 3.44Å; I14-F17 PolarHBondContact O-N 3.47Å; I14-G18 PolarHBondContact O-N 3Å; I14-W19 HydrophobicContact CG2-CB 4.19Å; I14-W19 WeakPolarHBondContact CG2-O 3.28Å; I14-W19 PolarHBondContact O-N 2.87Å; I14-L24 HydrophobicContact CD1-CD1 3.4Å; I14-L24 HydrophobicContact CG1-CD1 3.69Å |
| 15 | S | 85.6 | Confident | 81 | Confident | 84 Ų | 84 | 99.9 Ų | 99.9 | 59% | 0.587 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.1 | -40.9 | 178.3 | -53.7 | 0 | 0 | 0 | 0 | 112 | N11 E12 L13 F17 G18 | N11-S15 WeakPolarHBondContact O-CB 3.27Å; N11-S15 PolarHBondContact O-N 3.27Å; N11-S15 PolarHBondContact O-OG 3.27Å; E12-S15 WeakPolarHBondContact O-CA 3.33Å; E12-S15 WeakPolarHBondContact O-CB 3.46Å; E12-S15 PolarHBondContact O-N 2.97Å; L13-S15 VanDerWaalsContact C-N 3.26Å; L13-S15 PolarHBondContact O-N 3.47Å; S15-F17 VanDerWaalsContact C-N 3.33Å; S15-F17 PolarHBondContact O-N 3.05Å; S15-G18 WeakPolarHBondContact O-CA 3.49Å; S15-G18 PolarHBondContact O-N 3.34Å |
| 16 | D | 88.1 | Confident | 80.1 | Confident | 124 Ų | 124 | 102 Ų | 102 | 66% | 0.663 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -37.4 | 176.7 | -77.4 | -11.6 | 0 | 0 | 0 | 112.6 | E12 L13 G18 | E12-D16 PolarHBondContact O-N 3.07Å; L13-D16 PolarHBondContact O-N 3.46Å; D16-G18 PolarHBondContact O-N 3.4Å |
| 17 | F | 85.4 | Confident | 79.4 | Confident | 132 Ų | 132 | 104 Ų | 104 | 58% | 0.579 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -3.1 | 172.9 | -67.5 | -60.8 | 0 | 0 | 0 | 113.6 | L13 I14 S15 W19 | L13-F17 HydrophobicContact CB-CE2 4.49Å; L13-F17 WeakPolarHBondContact O-CD2 3.35Å; L13-F17 PolarHBondContact O-N 3.3Å; I14-F17 PolarHBondContact O-N 3.47Å; S15-F17 VanDerWaalsContact C-N 3.33Å; S15-F17 PolarHBondContact O-N 3.05Å; F17-W19 HydrophobicContact CB-CD2 3.83Å; F17-W19 HydrophobicContact CB-CE3 4.32Å; F17-W19 HydrophobicContact CB-CG 4.02Å; F17-W19 HydrophobicContact CB-CZ2 4.32Å; F17-W19 PolarHBondContact O-N 2.71Å; F17-W19 PolarHBondContact O-NE1 3.31Å |
| 18 | G | 78.9 | Confident | 79 | Confident | 66 Ų | 66 | 99 Ų | 99 | 68% | 0.68 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 22.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I14 S15 D16 | I14-G18 PolarHBondContact O-N 3Å; S15-G18 WeakPolarHBondContact O-CA 3.49Å; S15-G18 PolarHBondContact O-N 3.34Å; D16-G18 PolarHBondContact O-N 3.4Å |
| 19 | W | 81.6 | Confident | 78.8 | Confident | 122 Ų | 122 | 100.1 Ų | 100.1 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | trans | -90.9 | 147 | -178.7 | -63 | -7.8 | 0 | 0 | 0 | 110.4 | I14 F17 F23 L24 | I14-W19 HydrophobicContact CG2-CB 4.19Å; I14-W19 WeakPolarHBondContact CG2-O 3.28Å; I14-W19 PolarHBondContact O-N 2.87Å; F17-W19 HydrophobicContact CB-CD2 3.83Å; F17-W19 HydrophobicContact CB-CE3 4.32Å; F17-W19 HydrophobicContact CB-CG 4.02Å; F17-W19 HydrophobicContact CB-CZ2 4.32Å; F17-W19 PolarHBondContact O-N 2.71Å; F17-W19 PolarHBondContact O-NE1 3.31Å; W19-F23 HydrophobicContact CD2-CD1 4.48Å; W19-F23 HydrophobicContact CG-CD1 4.35Å; W19-L24 HydrophobicContact CE3-CD2 4.05Å; W19-L24 HydrophobicContact CZ3-CD2 4.38Å | ||
| 20 | T | 75.7 | Confident | 78.6 | Confident | 82 Ų | 82 | 102.3 Ų | 102.3 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | trans | -91 | 152.8 | 168.7 | 61.5 | 0 | 0 | 0 | 0 | 109.8 | E22 F23 | T20-E22 PolarHBondContact O-N 3.24Å; T20-F23 VanDerWaalsContact O-CB 3.32Å; T20-F23 WeakPolarHBondContact O-CB 3.27Å; T20-F23 PolarHBondContact O-N 2.93Å; T20-F23 PolarHBondContact OG1-N 2.96Å | ||
| 21 | H | 68.3 | Low | 78.6 | Confident | 119 Ų | 119 | 98.3 Ų | 98.3 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.9 | -25.7 | 172.4 | -168.8 | -68.2 | 0 | 0 | 0 | 111.7 | L24 S25 | H21-L24 PolarHBondContact O-N 3.24Å; H21-S25 PolarHBondContact O-N 2.93Å; H21-S25 VanDerWaalsContact O-N 3.07Å |
| 22 | E | 70.7 | Confident | 78.9 | Confident | 151 Ų | 151 | 101.5 Ų | 101.5 | 71% | 0.706 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -40.2 | 172 | -61.2 | -178.8 | 167.8 | 0 | 0 | 112 | T20 L24 S25 Y26 | T20-E22 PolarHBondContact O-N 3.24Å; E22-L24 VanDerWaalsContact C-N 3.28Å; E22-L24 PolarHBondContact O-N 3.19Å; E22-S25 WeakPolarHBondContact CA-OG 3.36Å; E22-S25 PolarHBondContact O-N 2.99Å; E22-S25 PolarHBondContact O-OG 3.33Å; E22-Y26 PolarHBondContact O-N 3.38Å |
| 23 | F | 66.4 | Low | 79 | Confident | 135 Ų | 135 | 96.4 Ų | 96.4 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.5 | -35.4 | 177.2 | -170.8 | -100.6 | 0 | 0 | 0 | 112.5 | W19 T20 | W19-F23 HydrophobicContact CD2-CD1 4.48Å; W19-F23 HydrophobicContact CG-CD1 4.35Å; T20-F23 VanDerWaalsContact O-CB 3.32Å; T20-F23 WeakPolarHBondContact O-CB 3.27Å; T20-F23 PolarHBondContact O-N 2.93Å; T20-F23 PolarHBondContact OG1-N 2.96Å |
| 24 | L | 65.7 | Low | 79.1 | Confident | 86 Ų | 86 | 96.8 Ų | 96.8 | 45% | 0.45 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -78.9 | -21.7 | 173.5 | -64.2 | -172.8 | 0 | 0 | 0 | 114 | I14 W19 H21 E22 Y26 | I14-L24 HydrophobicContact CD1-CD1 3.4Å; I14-L24 HydrophobicContact CG1-CD1 3.69Å; W19-L24 HydrophobicContact CE3-CD2 4.05Å; W19-L24 HydrophobicContact CZ3-CD2 4.38Å; H21-L24 PolarHBondContact O-N 3.24Å; E22-L24 VanDerWaalsContact C-N 3.28Å; E22-L24 PolarHBondContact O-N 3.19Å; L24-Y26 VanDerWaalsContact C-N 3.32Å |
| 25 | S | 68.3 | Low | 79.2 | Confident | 82 Ų | 82 | 100.9 Ų | 100.9 | 57% | 0.573 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -77.2 | -18 | -178.5 | 74.6 | 0 | 0 | 0 | 0 | 113.8 | H21 E22 P27 | H21-S25 PolarHBondContact O-N 2.93Å; H21-S25 VanDerWaalsContact O-N 3.07Å; E22-S25 WeakPolarHBondContact CA-OG 3.36Å; E22-S25 PolarHBondContact O-N 2.99Å; E22-S25 PolarHBondContact O-OG 3.33Å; S25-P27 WeakPolarHBondContact O-CD 3.45Å |
| 26 | Y | 67.9 | Low | 79.2 | Confident | 141 Ų | 141 | 98 Ų | 98 | 55% | 0.553 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -83.6 | 116.3 | 178.2 | -163.8 | -86.6 | 0 | 0 | 0 | 110 | E22 L24 V28 K44 | E22-Y26 PolarHBondContact O-N 3.38Å; L24-Y26 VanDerWaalsContact C-N 3.32Å; Y26-V28 HydrophobicContact CD1-CG2 4.11Å; Y26-V28 PolarHBondContact O-N 3.04Å; Y26-K44 PolarHBondContact OH-NZ 3.3Å; Y26-K44 VanDerWaalsContact OH-NZ 3.16Å |
| 27 | P | 69.7 | Low | 79 | Confident | 109 Ų | 109 | 99 Ų | 99 | 71% | 0.708 | 50% | 0.5 | S | S | * | . | trans | -67.9 | 99.4 | 177.2 | 27.7 | -33.4 | 0 | 0 | 0 | 109.8 | S25 E29 | S25-P27 WeakPolarHBondContact O-CD 3.45Å; P27-E29 PolarHBondContact O-N 2.92Å | ||
| 28 | V | 76 | Confident | 79 | Confident | 59 Ų | 59 | 98.8 Ų | 98.8 | 36% | 0.358 | 51% | 0.505 | S | S | . | . | trans | -83.2 | 105.8 | 168 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | Y26 Y30 P42 | Y26-V28 HydrophobicContact CD1-CG2 4.11Å; Y26-V28 PolarHBondContact O-N 3.04Å; V28-Y30 HydrophobicContact CB-CE2 3.89Å; V28-Y30 HydrophobicContact CG1-CD2 4.32Å; V28-Y30 HydrophobicContact CG1-CE1 4.47Å; V28-Y30 HydrophobicContact CG1-CE2 3.84Å; V28-Y30 WeakPolarHBondContact O-CD2 3.34Å; V28-Y30 VanDerWaalsContact O-CE2 3.29Å; V28-Y30 WeakPolarHBondContact O-CE2 3.34Å; V28-Y30 PolarHBondContact O-N 2.91Å; V28-P42 HydrophobicContact CG1-CB 3.67Å; V28-P42 HydrophobicContact CG1-CG 3.8Å | ||
| 29 | E | 82.7 | Confident | 79.4 | Confident | 144 Ų | 144 | 97 Ų | 97 | 67% | 0.673 | 48% | 0.479 | S | S | * | . | trans | -64.5 | 127.3 | 170.1 | -64.7 | 176 | 178.5 | 0 | 0 | 109.6 | P27 P42 V43 | P27-E29 PolarHBondContact O-N 2.92Å; E29-P42 CarbonylContact O-C 3.53Å; E29-P42 VanDerWaalsContact O-CA 3.31Å; E29-P42 WeakPolarHBondContact O-CA 3.46Å; E29-V43 HydrophobicContact CB-CB 4.26Å; E29-V43 HydrophobicContact CB-CG2 3.79Å; E29-V43 WeakPolarHBondContact O-CG2 3.31Å; E29-V43 PolarHBondContact O-N 3.03Å | ||
| 30 | Y | 86.1 | Confident | 79.7 | Confident | 137 Ų | 137 | 98.9 Ų | 98.9 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 128.9 | 176.1 | -71.6 | -93.1 | 0 | 0 | 0 | 110.7 | V28 V41 P42 | V28-Y30 HydrophobicContact CB-CE2 3.89Å; V28-Y30 HydrophobicContact CG1-CD2 4.32Å; V28-Y30 HydrophobicContact CG1-CE1 4.47Å; V28-Y30 HydrophobicContact CG1-CE2 3.84Å; V28-Y30 WeakPolarHBondContact O-CD2 3.34Å; V28-Y30 VanDerWaalsContact O-CE2 3.29Å; V28-Y30 WeakPolarHBondContact O-CE2 3.34Å; V28-Y30 PolarHBondContact O-N 2.91Å; Y30-V41 WeakPolarHBondContact CA-O 3.44Å; Y30-P42 HydrophobicContact CD1-CG 4.35Å; Y30-P42 HydrophobicContact CE1-CG 3.96Å |
| 31 | G | 86.5 | Confident | 80.2 | Confident | 12 Ų | 12 | 95.3 Ų | 95.3 | 12% | 0.124 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 157.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | V41 | G31-V41 PolarHBondContact N-O 2.97Å; G31-V41 PolarHBondContact O-N 2.93Å |
| 32 | R | 90.5 | Very high | 81.2 | Confident | 130 Ų | 130 | 91.7 Ų | 91.7 | 49% | 0.491 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133.9 | 176.6 | -164.4 | -179.5 | -167.7 | -176 | 5.4 | 110.6 | Q37 H39 W40 | R32-Q37 VanDerWaalsContact CZ-O 3.27Å; R32-Q37 PolarHBondContact NE-O 2.88Å; R32-Q37 PolarHBondContact NH2-O 3.41Å; R32-H39 WeakPolarHBondContact CA-O 3.36Å; R32-W40 HydrophobicContact CB-CZ3 4.46Å |
| 33 | C | 92 | Very high | 81.9 | Confident | 7 Ų | 7 | 87.5 Ų | 87.5 | 5% | 0.047 | 44% | 0.436 | C | S | . | . | trans | -64.6 | 139.5 | 176.7 | 179.9 | 0 | 0 | 0 | 0 | 112.3 | Y35 H39 H49 N50 | C33-Y35 VanDerWaalsContact C-N 3.32Å; C33-Y35 PolarHBondContact O-N 2.92Å; C33-Y35 PolarHBondContact SG-N 2.98Å; C33-Y35 VanDerWaalsContact SG-N 3.37Å; C33-H39 HydrophobicContact CB-CB 3.66Å; C33-H39 PolarHBondContact N-O 3.09Å; C33-H49 PolarHBondContact SG-CD2 3.15Å; C33-H49 PolarHBondContact SG-NE2 3.06Å; C33-H49 VanDerWaalsContact SG-NE2 3.37Å; C33-N50 PolarHBondContact SG-OD1 2.78Å | ||
| 34 | S | 89.9 | Confident | 82.8 | Confident | 98 Ų | 98 | 89.4 Ų | 89.4 | 69% | 0.685 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -73.3 | -22.7 | 178.4 | -49.6 | 0 | 0 | 0 | 0 | 113.4 | N50 | S34-N50 PolarHBondContact N-OD1 3.34Å; S34-N50 VanDerWaalsContact N-OD1 3.12Å |
| 35 | Y | 87.8 | Confident | 83.8 | Confident | 98 Ų | 98 | 85.5 Ų | 85.5 | 38% | 0.384 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -97.9 | -21.7 | -176.3 | -60.6 | -81.9 | 0 | 0 | 0 | 113.8 | C33 N50 C53 S54 Q57 | C33-Y35 VanDerWaalsContact C-N 3.32Å; C33-Y35 PolarHBondContact O-N 2.92Å; C33-Y35 PolarHBondContact SG-N 2.98Å; C33-Y35 VanDerWaalsContact SG-N 3.37Å; Y35-N50 HydrophobicContact CD2-CB 4.29Å; Y35-N50 VanDerWaalsContact CD2-O 3.3Å; Y35-N50 WeakPolarHBondContact CD2-O 3.4Å; Y35-N50 HydrophobicContact CE2-CB 3.98Å; Y35-N50 WeakPolarHBondContact CE2-O 3.36Å; Y35-C53 HydrophobicContact CD2-CB 4.45Å; Y35-S54 VanDerWaalsContact CZ-CB 3.49Å; Y35-Q57 PolarHBondContact O-NE2 3.1Å |
| 36 | S | 86.2 | Confident | 84.8 | Confident | 24 Ų | 24 | 83.2 Ų | 83.2 | 17% | 0.168 | 41% | 0.405 | C | S | . | . | trans | -139.1 | 114.6 | -178.7 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | N38 H39 | S36-N38 PolarHBondContact O-N 2.91Å; S36-H39 WeakPolarHBondContact CB-CE1 3.44Å; S36-H39 WeakPolarHBondContact CB-ND1 3.4Å; S36-H39 PolarHBondContact O-N 2.9Å; S36-H39 PolarHBondContact OG-CD2 2.69Å; S36-H39 PolarHBondContact OG-CE1 3.49Å; S36-H39 PolarHBondContact OG-NE2 2.78Å | ||
| 37 | Q | 83.7 | Confident | 85.8 | Confident | 145 Ų | 145 | 81.9 Ų | 81.9 | 68% | 0.678 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -14.6 | -179.7 | -75 | -171.3 | 14 | 0 | 0 | 114.3 | R32 | R32-Q37 VanDerWaalsContact CZ-O 3.27Å; R32-Q37 PolarHBondContact NE-O 2.88Å; R32-Q37 PolarHBondContact NH2-O 3.41Å |
| 38 | N | 84.6 | Confident | 86.7 | Confident | 128 Ų | 128 | 78.9 Ų | 78.9 | 68% | 0.684 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -0.9 | -175.3 | -64 | -4.7 | 0 | 0 | 0 | 113.5 | S36 | S36-N38 PolarHBondContact O-N 2.91Š|
| 39 | H | 87.3 | Confident | 87.4 | Confident | 29 Ų | 29 | 76.5 Ų | 76.5 | 13% | 0.134 | 38% | 0.376 | C | S | . | . | trans | -95.8 | 119.1 | 179.6 | -57.5 | 172.1 | 0 | 0 | 0 | 110.6 | R32 C33 S36 V41 H49 C79 | R32-H39 WeakPolarHBondContact CA-O 3.36Å; C33-H39 HydrophobicContact CB-CB 3.66Å; C33-H39 PolarHBondContact N-O 3.09Å; S36-H39 WeakPolarHBondContact CB-CE1 3.44Å; S36-H39 WeakPolarHBondContact CB-ND1 3.4Å; S36-H39 PolarHBondContact O-N 2.9Å; S36-H39 PolarHBondContact OG-CD2 2.69Å; S36-H39 PolarHBondContact OG-CE1 3.49Å; S36-H39 PolarHBondContact OG-NE2 2.78Å; H39-V41 HydrophobicContact CB-CG2 4.37Å; H39-H49 AromaticContact CG-CE1 3.94Å; H39-H49 AromaticContact CG-NE2 3.68Å; H39-H49 AromaticContact ND1-CE1 3.32Å; H39-H49 PolarHBondContact ND1-CE1 2.99Å; H39-H49 VanDerWaalsContact ND1-CE1 3.32Å; H39-H49 AromaticContact ND1-NE2 3.07Å; H39-H49 PolarHBondContact ND1-NE2 3.04Å; H39-C79 VanDerWaalsContact CE1-SG 3.51Å; H39-C79 PolarHBondContact NE2-SG 2.96Å | ||
| 40 | W | 87.5 | Confident | 87.8 | Confident | 160 Ų | 160 | 71.1 Ų | 71.1 | 61% | 0.606 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.1 | 169.6 | -68.9 | 91.2 | 0 | 0 | 0 | 108.5 | R32 | R32-W40 HydrophobicContact CB-CZ3 4.46Å |
| 41 | V | 87 | Confident | 87.9 | Confident | 7 Ų | 7 | 69.4 Ų | 69.4 | 4% | 0.042 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 140.8 | -168.1 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | Y30 G31 H39 V43 S45 L46 H49 | Y30-V41 WeakPolarHBondContact CA-O 3.44Å; G31-V41 PolarHBondContact N-O 2.97Å; G31-V41 PolarHBondContact O-N 2.93Å; H39-V41 HydrophobicContact CB-CG2 4.37Å; V41-V43 PolarHBondContact O-N 2.92Å; V41-S45 VanDerWaalsContact CG1-OG 3.32Å; V41-S45 WeakPolarHBondContact CG1-OG 3.37Å; V41-L46 HydrophobicContact CB-CD1 4.47Å; V41-H49 HydrophobicContact CB-CB 4.5Å; V41-H49 HydrophobicContact CG1-CB 3.91Å; V41-H49 HydrophobicContact CG2-CB 4.34Å |
| 42 | P | 88.4 | Confident | 88.1 | Confident | 43 Ų | 43 | 69.5 Ų | 69.5 | 28% | 0.279 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52 | 133.6 | 176.8 | -28.3 | 36.1 | 0 | 0 | 0 | 111.7 | V28 E29 Y30 K44 S45 L46 | V28-P42 HydrophobicContact CG1-CB 3.67Å; V28-P42 HydrophobicContact CG1-CG 3.8Å; E29-P42 CarbonylContact O-C 3.53Å; E29-P42 VanDerWaalsContact O-CA 3.31Å; E29-P42 WeakPolarHBondContact O-CA 3.46Å; Y30-P42 HydrophobicContact CD1-CG 4.35Å; Y30-P42 HydrophobicContact CE1-CG 3.96Å; P42-K44 PolarHBondContact O-N 3.33Å; P42-K44 VanDerWaalsContact O-N 3.14Å; P42-S45 CarbonylContact O-C 3.47Å; P42-S45 WeakPolarHBondContact O-CA 3.45Å; P42-S45 PolarHBondContact O-N 3.44Å; P42-S45 PolarHBondContact O-OG 2.95Å; P42-L46 PolarHBondContact O-N 3.21Å; P42-L46 VanDerWaalsContact O-N 3.08Å |
| 43 | V | 86.6 | Confident | 88.2 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 38% | 0.382 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -53.4 | -39.7 | -175.5 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | E29 V41 S45 L46 | E29-V43 HydrophobicContact CB-CB 4.26Å; E29-V43 HydrophobicContact CB-CG2 3.79Å; E29-V43 WeakPolarHBondContact O-CG2 3.31Å; E29-V43 PolarHBondContact O-N 3.03Å; V41-V43 PolarHBondContact O-N 2.92Å; V43-S45 PolarHBondContact O-N 3.18Å; V43-L46 WeakPolarHBondContact O-CB 3.37Å; V43-L46 PolarHBondContact O-N 2.96Å |
| 44 | K | 85.5 | Confident | 88.1 | Confident | 175 Ų | 175 | 64.3 Ų | 64.3 | 76% | 0.761 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -54.1 | -25.9 | 174.4 | -59.4 | -178.7 | -177 | 177.7 | 0 | 114 | Y26 P42 | Y26-K44 PolarHBondContact OH-NZ 3.3Å; Y26-K44 VanDerWaalsContact OH-NZ 3.16Å; P42-K44 PolarHBondContact O-N 3.33Å; P42-K44 VanDerWaalsContact O-N 3.14Å |
| 45 | S | 86.5 | Confident | 88.2 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.028 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -114.6 | 3.3 | 179.9 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | V41 P42 V43 T47 T48 H49 | V41-S45 VanDerWaalsContact CG1-OG 3.32Å; V41-S45 WeakPolarHBondContact CG1-OG 3.37Å; P42-S45 CarbonylContact O-C 3.47Å; P42-S45 WeakPolarHBondContact O-CA 3.45Å; P42-S45 PolarHBondContact O-N 3.44Å; P42-S45 PolarHBondContact O-OG 2.95Å; V43-S45 PolarHBondContact O-N 3.18Å; S45-T47 VanDerWaalsContact C-N 3.31Å; S45-T47 PolarHBondContact O-N 2.69Å; S45-T48 PolarHBondContact O-N 3.14Å; S45-T48 PolarHBondContact O-OG1 2.97Å; S45-H49 WeakPolarHBondContact O-CB 3.46Å; S45-H49 PolarHBondContact O-N 3.37Å |
| 46 | L | 88.4 | Confident | 88.3 | Confident | 34 Ų | 34 | 60 Ų | 60 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.3 | -36.8 | -175.9 | -175.5 | 65.3 | 0 | 0 | 0 | 112.1 | V41 P42 V43 H49 N50 | V41-L46 HydrophobicContact CB-CD1 4.47Å; P42-L46 PolarHBondContact O-N 3.21Å; P42-L46 VanDerWaalsContact O-N 3.08Å; V43-L46 WeakPolarHBondContact O-CB 3.37Å; V43-L46 PolarHBondContact O-N 2.96Å; L46-H49 PolarHBondContact O-N 3.18Å; L46-N50 VanDerWaalsContact O-CB 3.3Å; L46-N50 WeakPolarHBondContact O-CB 3.46Å; L46-N50 VanDerWaalsContact O-CG 3.28Å; L46-N50 PolarHBondContact O-N 3.4Å; L46-N50 PolarHBondContact O-ND2 3.25Å |
| 47 | T | 88.4 | Confident | 88.4 | Confident | 114 Ų | 114 | 65.1 Ų | 65.1 | 70% | 0.699 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.9 | -46.9 | 178.9 | -51.3 | 0 | 0 | 0 | 0 | 112.2 | S45 N50 H51 | S45-T47 VanDerWaalsContact C-N 3.31Å; S45-T47 PolarHBondContact O-N 2.69Å; T47-N50 PolarHBondContact O-N 2.94Å; T47-H51 PolarHBondContact O-N 3.46Å |
| 48 | T | 88.7 | Confident | 88.5 | Confident | 46 Ų | 46 | 64 Ų | 64 | 28% | 0.282 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 177.1 | 51.2 | 0 | 0 | 0 | 0 | 111 | S45 H51 Y52 | S45-T48 PolarHBondContact O-N 3.14Å; S45-T48 PolarHBondContact O-OG1 2.97Å; T48-H51 PolarHBondContact O-N 3.24Å; T48-Y52 WeakPolarHBondContact O-CB 3.37Å; T48-Y52 PolarHBondContact O-N 3.29Å |
| 49 | H | 90.8 | Very high | 88.7 | Confident | 9 Ų | 9 | 60.5 Ų | 60.5 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 172.5 | 179.2 | 83.7 | 0 | 0 | 0 | 113 | C33 H39 V41 S45 L46 H51 Y52 C53 C75 | C33-H49 PolarHBondContact SG-CD2 3.15Å; C33-H49 PolarHBondContact SG-NE2 3.06Å; C33-H49 VanDerWaalsContact SG-NE2 3.37Å; H39-H49 AromaticContact CG-CE1 3.94Å; H39-H49 AromaticContact CG-NE2 3.68Å; H39-H49 AromaticContact ND1-CE1 3.32Å; H39-H49 PolarHBondContact ND1-CE1 2.99Å; H39-H49 VanDerWaalsContact ND1-CE1 3.32Å; H39-H49 AromaticContact ND1-NE2 3.07Å; H39-H49 PolarHBondContact ND1-NE2 3.04Å; V41-H49 HydrophobicContact CB-CB 4.5Å; V41-H49 HydrophobicContact CG1-CB 3.91Å; V41-H49 HydrophobicContact CG2-CB 4.34Å; S45-H49 WeakPolarHBondContact O-CB 3.46Å; S45-H49 PolarHBondContact O-N 3.37Å; L46-H49 PolarHBondContact O-N 3.18Å; H49-H51 VanDerWaalsContact C-N 3.31Å; H49-H51 PolarHBondContact O-N 3.37Å; H49-Y52 PolarHBondContact O-N 3.06Å; H49-C53 WeakPolarHBondContact O-CB 3.41Å; H49-C53 PolarHBondContact O-N 2.92Å; H49-C75 WeakPolarHBondContact CA-SG 3.45Å; H49-C75 PolarHBondContact N-SG 2.67Å |
| 50 | N | 91.2 | Very high | 88.7 | Confident | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.16 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 178.6 | -84.9 | -20.4 | 0 | 0 | 0 | 110.6 | C33 S34 Y35 L46 T47 C53 S54 | C33-N50 PolarHBondContact SG-OD1 2.78Å; S34-N50 PolarHBondContact N-OD1 3.34Å; S34-N50 VanDerWaalsContact N-OD1 3.12Å; Y35-N50 HydrophobicContact CD2-CB 4.29Å; Y35-N50 VanDerWaalsContact CD2-O 3.3Å; Y35-N50 WeakPolarHBondContact CD2-O 3.4Å; Y35-N50 HydrophobicContact CE2-CB 3.98Å; Y35-N50 WeakPolarHBondContact CE2-O 3.36Å; L46-N50 VanDerWaalsContact O-CB 3.3Å; L46-N50 WeakPolarHBondContact O-CB 3.46Å; L46-N50 VanDerWaalsContact O-CG 3.28Å; L46-N50 PolarHBondContact O-N 3.4Å; L46-N50 PolarHBondContact O-ND2 3.25Å; T47-N50 PolarHBondContact O-N 2.94Å; N50-C53 PolarHBondContact O-N 2.92Å; N50-S54 WeakPolarHBondContact O-CB 3.39Å; N50-S54 PolarHBondContact O-N 3.09Å |
| 51 | H | 89.1 | Confident | 88.6 | Confident | 101 Ų | 101 | 55.6 Ų | 55.6 | 47% | 0.468 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 175.1 | -165 | -114.7 | 0 | 0 | 0 | 112.2 | T47 T48 H49 C53 S54 L55 I69 | T47-H51 PolarHBondContact O-N 3.46Å; T48-H51 PolarHBondContact O-N 3.24Å; H49-H51 VanDerWaalsContact C-N 3.31Å; H49-H51 PolarHBondContact O-N 3.37Å; H51-C53 PolarHBondContact O-N 2.93Å; H51-S54 PolarHBondContact O-N 3.17Å; H51-L55 PolarHBondContact O-N 3.34Å; H51-I69 HydrophobicContact CB-CD1 4.28Å; H51-I69 WeakPolarHBondContact ND1-CD1 3.39Å; H51-I69 WeakPolarHBondContact ND1-CG1 3.47Å |
| 52 | Y | 90.9 | Very high | 88.5 | Confident | 15 Ų | 15 | 59.7 Ų | 59.7 | 6% | 0.059 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 176.2 | -171.7 | -92.6 | 0 | 0 | 0 | 112.8 | T48 H49 L55 R56 K62 I65 D66 I69 A72 C75 | T48-Y52 WeakPolarHBondContact O-CB 3.37Å; T48-Y52 PolarHBondContact O-N 3.29Å; H49-Y52 PolarHBondContact O-N 3.06Å; Y52-L55 PolarHBondContact O-N 2.94Å; Y52-R56 HydrophobicContact CD1-CG 4.45Å; Y52-R56 HydrophobicContact CE1-CG 4.17Å; Y52-R56 PolarHBondContact O-N 3.25Å; Y52-R56 PolarHBondContact OH-NE 3.39Å; Y52-R56 PolarHBondContact OH-NH2 3.47Å; Y52-K62 WeakPolarHBondContact OH-CG 3.48Å; Y52-I65 HydrophobicContact CD2-CB 4.27Å; Y52-I65 HydrophobicContact CD2-CG2 3.24Å; Y52-I65 HydrophobicContact CE2-CB 4.01Å; Y52-I65 HydrophobicContact CE2-CG2 3.46Å; Y52-I65 VanDerWaalsContact CE2-CG2 3.46Å; Y52-I65 HydrophobicContact CG-CG2 4.06Å; Y52-D66 WeakPolarHBondContact CE2-OD1 3.41Å; Y52-I69 HydrophobicContact CD2-CD1 4.39Å; Y52-A72 HydrophobicContact CD2-CB 3.79Å; Y52-A72 HydrophobicContact CE2-CB 4.02Å; Y52-C75 HydrophobicContact CD1-CB 4.48Å; Y52-C75 HydrophobicContact CG-CB 4.46Å |
| 53 | C | 91 | Very high | 88.4 | Confident | 11 Ų | 11 | 63 Ų | 63 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -70.2 | -35.5 | -178.8 | -165.2 | 0 | 0 | 0 | 0 | 111.9 | Y35 H49 N50 H51 R56 Q57 | Y35-C53 HydrophobicContact CD2-CB 4.45Å; H49-C53 WeakPolarHBondContact O-CB 3.41Å; H49-C53 PolarHBondContact O-N 2.92Å; N50-C53 PolarHBondContact O-N 2.92Å; H51-C53 PolarHBondContact O-N 2.93Å; C53-R56 PolarHBondContact O-N 2.81Å; C53-Q57 WeakPolarHBondContact O-CB 3.34Å; C53-Q57 PolarHBondContact O-N 2.67Å |
| 54 | S | 91.5 | Very high | 88.3 | Confident | 16 Ų | 16 | 60.7 Ų | 60.7 | 11% | 0.112 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.7 | -48 | 172.3 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | Y35 N50 H51 R56 Q57 Q58 | Y35-S54 VanDerWaalsContact CZ-CB 3.49Å; N50-S54 WeakPolarHBondContact O-CB 3.39Å; N50-S54 PolarHBondContact O-N 3.09Å; H51-S54 PolarHBondContact O-N 3.17Å; S54-R56 PolarHBondContact O-N 2.8Å; S54-Q57 PolarHBondContact O-N 3.47Å; S54-Q58 WeakPolarHBondContact O-CG 3.47Å; S54-Q58 PolarHBondContact O-N 3.11Å; S54-Q58 PolarHBondContact O-NE2 2.91Å; S54-Q58 PolarHBondContact OG-NE2 3.4Å; S54-Q58 VanDerWaalsContact OG-NE2 3.16Å |
| 55 | L | 90.5 | Very high | 88.4 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.9 | -38.5 | 178.3 | -67.1 | 170.4 | 0 | 0 | 0 | 111.9 | H51 Y52 Q57 Q58 G59 F60 I65 M68 I69 | H51-L55 PolarHBondContact O-N 3.34Å; Y52-L55 PolarHBondContact O-N 2.94Å; L55-Q57 PolarHBondContact O-N 3.39Å; L55-Q58 PolarHBondContact O-N 2.87Å; L55-G59 PolarHBondContact O-N 3.36Å; L55-F60 HydrophobicContact CB-CB 4.24Å; L55-F60 HydrophobicContact CB-CD2 4.23Å; L55-F60 HydrophobicContact CB-CG 4.33Å; L55-F60 HydrophobicContact CD2-CD2 3.91Å; L55-F60 HydrophobicContact CD2-CE2 3.84Å; L55-F60 HydrophobicContact CD2-CG 4.31Å; L55-F60 HydrophobicContact CD2-CZ 4.18Å; L55-F60 WeakPolarHBondContact O-CB 3.24Å; L55-F60 WeakPolarHBondContact O-CD2 3.31Å; L55-F60 PolarHBondContact O-N 2.75Å; L55-I65 HydrophobicContact CB-CD1 3.74Å; L55-I65 HydrophobicContact CB-CG1 3.74Å; L55-I65 HydrophobicContact CB-CG2 4.33Å; L55-I65 HydrophobicContact CD1-CG1 4.34Å; L55-I65 HydrophobicContact CD1-CG2 3.89Å; L55-M68 HydrophobicContact CD1-SD 4.45Å; L55-I69 HydrophobicContact CD1-CD1 4.06Å; L55-I69 HydrophobicContact CD1-CG1 4.46Å |
| 56 | R | 90.2 | Very high | 88.4 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 171.3 | -78 | -162.4 | 171.5 | -143.6 | 7.2 | 112.5 | Y52 C53 S54 Q58 G59 I65 | Y52-R56 HydrophobicContact CD1-CG 4.45Å; Y52-R56 HydrophobicContact CE1-CG 4.17Å; Y52-R56 PolarHBondContact O-N 3.25Å; Y52-R56 PolarHBondContact OH-NE 3.39Å; Y52-R56 PolarHBondContact OH-NH2 3.47Å; C53-R56 PolarHBondContact O-N 2.81Å; S54-R56 PolarHBondContact O-N 2.8Å; R56-Q58 VanDerWaalsContact C-N 3.28Å; R56-Q58 PolarHBondContact O-N 2.69Å; R56-G59 PolarHBondContact O-N 2.85Å; R56-I65 HydrophobicContact CB-CD1 4.27Å; R56-I65 HydrophobicContact CG-CD1 3.42Å; R56-I65 VanDerWaalsContact CG-CD1 3.42Å |
| 57 | Q | 88 | Confident | 88.2 | Confident | 132 Ų | 132 | 55.6 Ų | 55.6 | 62% | 0.617 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.3 | -32 | 177.5 | -171 | 175.3 | 58.1 | 0 | 0 | 112.3 | Y35 C53 S54 L55 G59 | Y35-Q57 PolarHBondContact O-NE2 3.1Å; C53-Q57 WeakPolarHBondContact O-CB 3.34Å; C53-Q57 PolarHBondContact O-N 2.67Å; S54-Q57 PolarHBondContact O-N 3.47Å; L55-Q57 PolarHBondContact O-N 3.39Å; Q57-G59 PolarHBondContact O-N 3.18Å |
| 58 | Q | 87.3 | Confident | 87.8 | Confident | 121 Ų | 121 | 53.9 Ų | 53.9 | 57% | 0.565 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -4 | 172.6 | -67.7 | 172.9 | 52.7 | 0 | 0 | 113.9 | S54 L55 R56 F60 | S54-Q58 WeakPolarHBondContact O-CG 3.47Å; S54-Q58 PolarHBondContact O-N 3.11Å; S54-Q58 PolarHBondContact O-NE2 2.91Å; S54-Q58 PolarHBondContact OG-NE2 3.4Å; S54-Q58 VanDerWaalsContact OG-NE2 3.16Å; L55-Q58 PolarHBondContact O-N 2.87Å; R56-Q58 VanDerWaalsContact C-N 3.28Å; R56-Q58 PolarHBondContact O-N 2.69Å; Q58-F60 HydrophobicContact CB-CD2 3.85Å; Q58-F60 HydrophobicContact CB-CE2 3.94Å |
| 59 | G | 87.7 | Confident | 87.5 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 56% | 0.557 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | 21.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L55 R56 Q57 | L55-G59 PolarHBondContact O-N 3.36Å; R56-G59 PolarHBondContact O-N 2.85Å; Q57-G59 PolarHBondContact O-N 3.18Å |
| 60 | F | 87.1 | Confident | 86.3 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 18% | 0.18 | 31% | 0.309 | C | S | . | . | trans | -72.3 | 137.7 | 167 | -70.3 | -106.9 | 0 | 0 | 0 | 110 | L55 Q58 E64 I65 M68 | L55-F60 HydrophobicContact CB-CB 4.24Å; L55-F60 HydrophobicContact CB-CD2 4.23Å; L55-F60 HydrophobicContact CB-CG 4.33Å; L55-F60 HydrophobicContact CD2-CD2 3.91Å; L55-F60 HydrophobicContact CD2-CE2 3.84Å; L55-F60 HydrophobicContact CD2-CG 4.31Å; L55-F60 HydrophobicContact CD2-CZ 4.18Å; L55-F60 WeakPolarHBondContact O-CB 3.24Å; L55-F60 WeakPolarHBondContact O-CD2 3.31Å; L55-F60 PolarHBondContact O-N 2.75Å; Q58-F60 HydrophobicContact CB-CD2 3.85Å; Q58-F60 HydrophobicContact CB-CE2 3.94Å; F60-E64 WeakPolarHBondContact CA-OE2 3.35Å; F60-E64 HydrophobicContact CD1-CB 4.31Å; F60-I65 HydrophobicContact CB-CD1 3.98Å; F60-I65 HydrophobicContact CB-CG1 3.63Å; F60-M68 HydrophobicContact CD1-SD 4.14Å; F60-M68 HydrophobicContact CE1-SD 3.95Å | ||
| 61 | A | 86.3 | Confident | 85 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | trans | -76.9 | 155.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | E63 E64 I65 | A61-E63 PolarHBondContact O-N 3.4Å; A61-E63 VanDerWaalsContact O-N 3.15Å; A61-E64 HydrophobicContact CB-CG 3.95Å; A61-E64 PolarHBondContact N-OE2 2.89Å; A61-E64 WeakPolarHBondContact O-CB 3.11Å; A61-E64 PolarHBondContact O-N 2.83Å; A61-I65 WeakPolarHBondContact O-CG1 3.18Å; A61-I65 PolarHBondContact O-N 3.06Å; A61-I65 VanDerWaalsContact O-N 3.12Å | ||
| 62 | K | 85.2 | Confident | 83.6 | Confident | 93 Ų | 93 | 57 Ų | 57 | 40% | 0.404 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -51.9 | -43.2 | -174.6 | 172.1 | 172.4 | -169.7 | -58.7 | 0 | 111.7 | Y52 E64 I65 D66 | Y52-K62 WeakPolarHBondContact OH-CG 3.48Å; K62-E64 VanDerWaalsContact C-N 3.26Å; K62-E64 PolarHBondContact O-N 3.2Å; K62-I65 PolarHBondContact O-N 2.96Å; K62-D66 WeakPolarHBondContact CG-OD2 3.35Å; K62-D66 IonicContact NZ-OD1 2.76Å; K62-D66 IonicContact NZ-OD2 3.91Å; K62-D66 PolarHBondContact NZ-OD2 3.24Å; K62-D66 WeakPolarHBondContact O-CB 3.33Å; K62-D66 PolarHBondContact O-N 3.36Å |
| 63 | E | 85 | Confident | 81.9 | Confident | 112 Ų | 112 | 60.5 Ų | 60.5 | 52% | 0.523 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.5 | -21.4 | -176.3 | -53 | 69.4 | -149.9 | 0 | 0 | 113.1 | A61 | A61-E63 PolarHBondContact O-N 3.4Å; A61-E63 VanDerWaalsContact O-N 3.15Å |
| 64 | E | 85.4 | Confident | 80.3 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 7% | 0.07 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -79.9 | -43.8 | 172.2 | -35.7 | -174 | 121.2 | 0 | 0 | 109.6 | F60 A61 K62 A67 M68 L121 R125 | F60-E64 WeakPolarHBondContact CA-OE2 3.35Å; F60-E64 HydrophobicContact CD1-CB 4.31Å; A61-E64 HydrophobicContact CB-CG 3.95Å; A61-E64 PolarHBondContact N-OE2 2.89Å; A61-E64 WeakPolarHBondContact O-CB 3.11Å; A61-E64 PolarHBondContact O-N 2.83Å; K62-E64 VanDerWaalsContact C-N 3.26Å; K62-E64 PolarHBondContact O-N 3.2Å; E64-A67 PolarHBondContact O-N 3.17Å; E64-M68 WeakPolarHBondContact O-CG 3.47Å; E64-M68 PolarHBondContact O-N 2.91Å; E64-M68 VanDerWaalsContact O-N 3.11Å; E64-L121 HydrophobicContact CB-CD1 4.15Å; E64-L121 HydrophobicContact CG-CB 4.4Å; E64-L121 HydrophobicContact CG-CD1 3.9Å; E64-L121 HydrophobicContact CG-CD2 4.08Å; E64-L121 HydrophobicContact CG-CG 4.34Å; E64-L121 WeakPolarHBondContact OE1-CB 3.5Å; E64-R125 IonicContact OE1-CZ 2.65Å; E64-R125 IonicContact OE1-NH2 3.47Å; E64-R125 PolarHBondContact OE1-NH2 3.41Å; E64-R125 IonicContact OE2-CZ 3.75Å; E64-R125 IonicContact OE2-NE 3.94Å; E64-R125 IonicContact OE2-NH2 2.67Å; E64-R125 PolarHBondContact OE2-NH2 2.93Å |
| 65 | I | 88.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.2 | -45.9 | -179.2 | -56.9 | 172.8 | 0 | 0 | 0 | 110.8 | Y52 L55 R56 F60 A61 K62 A67 M68 I69 | Y52-I65 HydrophobicContact CD2-CB 4.27Å; Y52-I65 HydrophobicContact CD2-CG2 3.24Å; Y52-I65 HydrophobicContact CE2-CB 4.01Å; Y52-I65 HydrophobicContact CE2-CG2 3.46Å; Y52-I65 VanDerWaalsContact CE2-CG2 3.46Å; Y52-I65 HydrophobicContact CG-CG2 4.06Å; L55-I65 HydrophobicContact CB-CD1 3.74Å; L55-I65 HydrophobicContact CB-CG1 3.74Å; L55-I65 HydrophobicContact CB-CG2 4.33Å; L55-I65 HydrophobicContact CD1-CG1 4.34Å; L55-I65 HydrophobicContact CD1-CG2 3.89Å; R56-I65 HydrophobicContact CB-CD1 4.27Å; R56-I65 HydrophobicContact CG-CD1 3.42Å; R56-I65 VanDerWaalsContact CG-CD1 3.42Å; F60-I65 HydrophobicContact CB-CD1 3.98Å; F60-I65 HydrophobicContact CB-CG1 3.63Å; A61-I65 WeakPolarHBondContact O-CG1 3.18Å; A61-I65 PolarHBondContact O-N 3.06Å; A61-I65 VanDerWaalsContact O-N 3.12Å; K62-I65 PolarHBondContact O-N 2.96Å; I65-A67 PolarHBondContact O-N 3.09Å; I65-M68 CarbonylContact O-C 3.58Å; I65-M68 WeakPolarHBondContact O-CA 3.46Å; I65-M68 PolarHBondContact O-N 3.09Å; I65-I69 HydrophobicContact CG2-CD1 3.72Å; I65-I69 HydrophobicContact CG2-CG1 4.3Å; I65-I69 PolarHBondContact O-N 3.43Å |
| 66 | D | 85.1 | Confident | 76.7 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.4 | -25.9 | 176.7 | -60.8 | -8.7 | 0 | 0 | 0 | 111.5 | Y52 K62 I69 | Y52-D66 WeakPolarHBondContact CE2-OD1 3.41Å; K62-D66 WeakPolarHBondContact CG-OD2 3.35Å; K62-D66 IonicContact NZ-OD1 2.76Å; K62-D66 IonicContact NZ-OD2 3.91Å; K62-D66 PolarHBondContact NZ-OD2 3.24Å; K62-D66 WeakPolarHBondContact O-CB 3.33Å; K62-D66 PolarHBondContact O-N 3.36Å; D66-I69 CarbonylContact O-C 3.57Å |
| 67 | A | 84.2 | Confident | 75 | Confident | 51 Ų | 51 | 68.5 Ų | 68.5 | 42% | 0.421 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -82.8 | -20.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E64 I65 | E64-A67 PolarHBondContact O-N 3.17Å; I65-A67 PolarHBondContact O-N 3.09Å |
| 68 | M | 81.5 | Confident | 73.2 | Confident | 77 Ų | 77 | 70.5 Ų | 70.5 | 38% | 0.379 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -91.3 | -24.2 | 174 | -67.1 | 177.5 | 75.9 | 0 | 0 | 112.8 | L55 F60 E64 I65 L118 | L55-M68 HydrophobicContact CD1-SD 4.45Å; F60-M68 HydrophobicContact CD1-SD 4.14Å; F60-M68 HydrophobicContact CE1-SD 3.95Å; E64-M68 WeakPolarHBondContact O-CG 3.47Å; E64-M68 PolarHBondContact O-N 2.91Å; E64-M68 VanDerWaalsContact O-N 3.11Å; I65-M68 CarbonylContact O-C 3.58Å; I65-M68 WeakPolarHBondContact O-CA 3.46Å; I65-M68 PolarHBondContact O-N 3.09Å; M68-L118 HydrophobicContact CG-CD1 3.65Å; M68-L118 HydrophobicContact CG-CD2 3.86Å; M68-L118 HydrophobicContact CG-CG 4.43Å; M68-L118 HydrophobicContact SD-CD1 3.75Å; M68-L118 HydrophobicContact SD-CD2 4.37Å |
| 69 | I | 81.1 | Confident | 71.3 | Confident | 18 Ų | 18 | 66.9 Ų | 66.9 | 9% | 0.092 | 40% | 0.396 | C | S | . | . | trans | -130 | 89 | -178.9 | -46.6 | 172.7 | 0 | 0 | 0 | 108.2 | H51 Y52 L55 I65 D66 D71 A72 | H51-I69 HydrophobicContact CB-CD1 4.28Å; H51-I69 WeakPolarHBondContact ND1-CD1 3.39Å; H51-I69 WeakPolarHBondContact ND1-CG1 3.47Å; Y52-I69 HydrophobicContact CD2-CD1 4.39Å; L55-I69 HydrophobicContact CD1-CD1 4.06Å; L55-I69 HydrophobicContact CD1-CG1 4.46Å; I65-I69 HydrophobicContact CG2-CD1 3.72Å; I65-I69 HydrophobicContact CG2-CG1 4.3Å; I65-I69 PolarHBondContact O-N 3.43Å; D66-I69 CarbonylContact O-C 3.57Å; I69-D71 PolarHBondContact O-N 2.96Å; I69-A72 HydrophobicContact CB-CB 4.08Å; I69-A72 HydrophobicContact CG2-CB 4.02Å; I69-A72 VanDerWaalsContact O-CB 3.29Å; I69-A72 WeakPolarHBondContact O-CB 3.49Å; I69-A72 PolarHBondContact O-N 3.36Å; I69-A72 VanDerWaalsContact O-N 3.16Å | ||
| 70 | P | 66.4 | Low | 69.4 | Low | 111 Ų | 111 | 68.8 Ų | 68.8 | 72% | 0.721 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -35.5 | -178.3 | -26.9 | 35.8 | 0 | 0 | 0 | 113.6 | A72 | P70-A72 VanDerWaalsContact C-N 3.3Å; P70-A72 PolarHBondContact O-N 2.88Å |
| 71 | D | 63.7 | Low | 67.5 | Low | 115 Ų | 115 | 72.6 Ų | 72.6 | 62% | 0.615 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 17.2 | -176.8 | -56.6 | -32.5 | 0 | 0 | 0 | 113.9 | I69 S73 | I69-D71 PolarHBondContact O-N 2.96Å; D71-S73 PolarHBondContact O-N 3.45Å; D71-S73 VanDerWaalsContact O-N 3.07Å |
| 72 | A | 59 | Low | 65.3 | Low | 8 Ų | 8 | 75.8 Ų | 75.8 | 7% | 0.066 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -66.8 | -4.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y52 I69 P70 I74 C75 | Y52-A72 HydrophobicContact CD2-CB 3.79Å; Y52-A72 HydrophobicContact CE2-CB 4.02Å; I69-A72 HydrophobicContact CB-CB 4.08Å; I69-A72 HydrophobicContact CG2-CB 4.02Å; I69-A72 VanDerWaalsContact O-CB 3.29Å; I69-A72 WeakPolarHBondContact O-CB 3.49Å; I69-A72 PolarHBondContact O-N 3.36Å; I69-A72 VanDerWaalsContact O-N 3.16Å; P70-A72 VanDerWaalsContact C-N 3.3Å; P70-A72 PolarHBondContact O-N 2.88Å; A72-I74 PolarHBondContact O-N 3.23Å; A72-I74 VanDerWaalsContact O-N 3.1Å; A72-C75 WeakPolarHBondContact O-CB 3.49Å; A72-C75 PolarHBondContact O-N 3.17Å |
| 73 | S | 56.7 | Low | 63.3 | Low | 89 Ų | 89 | 77.6 Ų | 77.6 | 62% | 0.622 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -55.7 | -25.3 | 178 | 58.8 | 0 | 0 | 0 | 0 | 114 | D71 C75 | D71-S73 PolarHBondContact O-N 3.45Å; D71-S73 VanDerWaalsContact O-N 3.07Å; S73-C75 PolarHBondContact O-N 3.35Å |
| 74 | I | 56.5 | Low | 61.1 | Low | 108 Ų | 108 | 77.2 Ų | 77.2 | 55% | 0.554 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -72.1 | -16.4 | 178.1 | -46.9 | 172.2 | 0 | 0 | 0 | 111.9 | A72 | A72-I74 PolarHBondContact O-N 3.23Å; A72-I74 VanDerWaalsContact O-N 3.1Å |
| 75 | C | 52.9 | Low | 59.1 | Low | 9 Ų | 9 | 82.1 Ų | 82.1 | 6% | 0.061 | 49% | 0.488 | C | S | . | . | G | 310 helix | trans | -99.4 | 24.7 | -173 | -69 | 0 | 0 | 0 | 0 | 114.7 | H49 Y52 A72 S73 A77 | H49-C75 WeakPolarHBondContact CA-SG 3.45Å; H49-C75 PolarHBondContact N-SG 2.67Å; Y52-C75 HydrophobicContact CD1-CB 4.48Å; Y52-C75 HydrophobicContact CG-CB 4.46Å; A72-C75 WeakPolarHBondContact O-CB 3.49Å; A72-C75 PolarHBondContact O-N 3.17Å; S73-C75 PolarHBondContact O-N 3.35Å; C75-A77 PolarHBondContact O-N 3.1Å |
| 76 | T | 53.7 | Low | 56.9 | Low | 118 Ų | 118 | 93.7 Ų | 93.7 | 72% | 0.724 | 53% | 0.532 | S | S | * | . | trans | -75.7 | 37.9 | 175 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | E78 | T76-E78 PolarHBondContact O-N 2.91Š| ||
| 77 | A | 54.5 | Low | 55.4 | Low | 65 Ų | 65 | 96.7 Ų | 96.7 | 54% | 0.537 | 55% | 0.552 | S | S | . | * | trans | -76.3 | 103.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | C75 C79 | C75-A77 PolarHBondContact O-N 3.1Å; A77-C79 PolarHBondContact O-N 3.33Å | ||
| 78 | E | 49.4 | Very low | 53.9 | Low | 175 Ų | 175 | 102 Ų | 102 | 82% | 0.818 | 57% | 0.574 | S | S | * | * | trans | -61.6 | 100.3 | -173.9 | -140.5 | -176.2 | -171.2 | 0 | 0 | 109.9 | T76 T80 | T76-E78 PolarHBondContact O-N 2.91Å; E78-T80 VanDerWaalsContact CG-OG1 3.28Å; E78-T80 WeakPolarHBondContact CG-OG1 3.43Å; E78-T80 PolarHBondContact O-N 3.27Å; E78-T80 PolarHBondContact OE2-OG1 3.35Å | ||
| 79 | C | 48.1 | Very low | 52.4 | Low | 45 Ų | 45 | 102.7 Ų | 102.7 | 30% | 0.304 | 58% | 0.579 | S | S | . | * | trans | -73.9 | 63.3 | 172.9 | -173.2 | 0 | 0 | 0 | 0 | 109 | H39 A77 Q81 | H39-C79 VanDerWaalsContact CE1-SG 3.51Å; H39-C79 PolarHBondContact NE2-SG 2.96Å; A77-C79 PolarHBondContact O-N 3.33Å; C79-Q81 PolarHBondContact O-N 2.77Å | ||
| 80 | T | 47.6 | Very low | 51.4 | Low | 94 Ų | 94 | 106.3 Ų | 106.3 | 58% | 0.577 | 60% | 0.603 | S | S | * | * | trans | -78.3 | 70.8 | 177.8 | -53.7 | 0 | 0 | 0 | 0 | 108 | E78 | E78-T80 VanDerWaalsContact CG-OG1 3.28Å; E78-T80 WeakPolarHBondContact CG-OG1 3.43Å; E78-T80 PolarHBondContact O-N 3.27Å; E78-T80 PolarHBondContact OE2-OG1 3.35Å | ||
| 81 | Q | 46.1 | Very low | 51 | Low | 121 Ų | 121 | 105.5 Ų | 105.5 | 57% | 0.565 | 60% | 0.6 | S | S | * | * | trans | -51.6 | 128.2 | 154.1 | -72 | -68.9 | -32.8 | 0 | 0 | 107 | C79 T83 | C79-Q81 PolarHBondContact O-N 2.77Å; Q81-T83 PolarHBondContact O-N 2.99Å | ||
| 82 | P | 40.9 | Very low | 50.6 | Low | 112 Ų | 112 | 109.2 Ų | 109.2 | 73% | 0.727 | 61% | 0.606 | S | S | * | * | trans | -70.4 | 85 | -176.8 | 28.3 | -34.3 | 0 | 0 | 0 | 109.7 | S84 | P82-S84 PolarHBondContact O-N 3.11Š| ||
| 83 | T | 42.6 | Very low | 50.3 | Low | 132 Ų | 132 | 115.1 Ų | 115.1 | 81% | 0.81 | 64% | 0.635 | S | S | * | * | trans | -72.5 | 80.2 | 165.7 | 47.4 | 0 | 0 | 0 | 0 | 107.9 | Q81 D85 | Q81-T83 PolarHBondContact O-N 2.99Å; T83-D85 VanDerWaalsContact C-N 3.29Å; T83-D85 PolarHBondContact O-N 2.9Å | ||
| 84 | S | 38.8 | Very low | 50.2 | Low | 104 Ų | 104 | 117.3 Ų | 117.3 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | trans | -62.1 | 96 | 158.8 | 56.6 | 0 | 0 | 0 | 0 | 107.7 | P82 | P82-S84 PolarHBondContact O-N 3.11Š| ||
| 85 | D | 43.8 | Very low | 50.2 | Low | 117 Ų | 117 | 117.1 Ų | 117.1 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -176.7 | 107.9 | 150.6 | -89.2 | -20.2 | 0 | 0 | 0 | 113.8 | T83 T87 | T83-D85 VanDerWaalsContact C-N 3.29Å; T83-D85 PolarHBondContact O-N 2.9Å; D85-T87 PolarHBondContact O-N 2.95Å |
| 86 | W | 43.2 | Very low | 50.4 | Low | 244 Ų | 244 | 123.5 Ų | 123.5 | 92% | 0.924 | 67% | 0.667 | S | S | * | * | trans | 51.9 | 6 | 134.8 | -58.3 | 101.1 | 0 | 0 | 0 | 124.5 | N88 | W86-N88 PolarHBondContact O-N 3.25Š| ||
| 87 | T | 52.8 | Low | 50.6 | Low | 117 Ų | 117 | 125.4 Ų | 125.4 | 72% | 0.718 | 67% | 0.668 | S | S | * | * | trans | -87.7 | 3 | -168.6 | 48 | 0 | 0 | 0 | 0 | 118.1 | D85 | D85-T87 PolarHBondContact O-N 2.95Š| ||
| 88 | N | 53.4 | Low | 50.7 | Low | 164 Ų | 164 | 126.1 Ų | 126.1 | 88% | 0.877 | 67% | 0.674 | S | S | * | * | trans | -102.4 | 26.5 | -171.1 | -130.3 | -8.8 | 0 | 0 | 0 | 115.7 | W86 | W86-N88 PolarHBondContact O-N 3.25Š| ||
| 89 | D | 48.3 | Very low | 50.9 | Low | 91 Ų | 91 | 123.7 Ų | 123.7 | 49% | 0.487 | 66% | 0.661 | S | S | . | * | trans | -98.8 | 118.8 | 163.2 | 179.4 | 5.3 | 0 | 0 | 0 | 109.1 | S91 W92 | D89-S91 PolarHBondContact O-N 3.39Å; D89-S91 VanDerWaalsContact OD1-CB 3.23Å; D89-S91 WeakPolarHBondContact OD1-CB 3.33Å; D89-S91 PolarHBondContact OD1-N 3.47Å; D89-S91 PolarHBondContact OD1-OG 3.32Å; D89-S91 WeakPolarHBondContact OD2-CB 3.46Å; D89-S91 PolarHBondContact OD2-OG 3.47Å; D89-W92 PolarHBondContact O-NE1 3.21Å | ||
| 90 | P | 60.9 | Low | 51.1 | Low | 93 Ų | 93 | 126.3 Ų | 126.3 | 60% | 0.604 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -70.3 | -6.7 | 176.2 | -19.2 | 33 | 0 | 0 | 0 | 115 | W92 I93 | P90-W92 PolarHBondContact O-N 3.43Å; P90-W92 VanDerWaalsContact O-N 3.1Å; P90-I93 HydrophobicContact CB-CD1 4.26Å; P90-I93 WeakPolarHBondContact O-CB 3.36Å; P90-I93 WeakPolarHBondContact O-CG1 3.21Å; P90-I93 PolarHBondContact O-N 2.88Å |
| 91 | S | 57.6 | Low | 51.2 | Low | 95 Ų | 95 | 128.2 Ų | 128.2 | 66% | 0.664 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -63.5 | -18.6 | -169.9 | 73.4 | 0 | 0 | 0 | 0 | 115.7 | D89 | D89-S91 PolarHBondContact O-N 3.39Å; D89-S91 VanDerWaalsContact OD1-CB 3.23Å; D89-S91 WeakPolarHBondContact OD1-CB 3.33Å; D89-S91 PolarHBondContact OD1-N 3.47Å; D89-S91 PolarHBondContact OD1-OG 3.32Å; D89-S91 WeakPolarHBondContact OD2-CB 3.46Å; D89-S91 PolarHBondContact OD2-OG 3.47Å |
| 92 | W | 56.4 | Low | 51.3 | Low | 193 Ų | 193 | 129.5 Ų | 129.5 | 73% | 0.731 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -91.8 | 6.6 | 176.5 | 74.2 | -65.6 | 0 | 0 | 0 | 114.3 | D89 P90 M94 | D89-W92 PolarHBondContact O-NE1 3.21Å; P90-W92 PolarHBondContact O-N 3.43Å; P90-W92 VanDerWaalsContact O-N 3.1Å; W92-M94 PolarHBondContact O-N 2.65Å |
| 93 | I | 52.1 | Low | 51.7 | Low | 131 Ų | 131 | 133.1 Ų | 133.1 | 67% | 0.672 | 71% | 0.707 | S | S | * | * | trans | -70.6 | 72 | 165.5 | -57 | 175.7 | 0 | 0 | 0 | 108.1 | P90 N95 | P90-I93 HydrophobicContact CB-CD1 4.26Å; P90-I93 WeakPolarHBondContact O-CB 3.36Å; P90-I93 WeakPolarHBondContact O-CG1 3.21Å; P90-I93 PolarHBondContact O-N 2.88Å; I93-N95 PolarHBondContact O-N 2.85Å; I93-N95 VanDerWaalsContact O-N 3.15Å | ||
| 94 | M | 55.6 | Low | 52 | Low | 136 Ų | 136 | 131.9 Ų | 131.9 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | trans | -60.4 | 114.2 | 163.7 | -87.4 | -174.4 | 133.1 | 0 | 0 | 107.2 | W92 M96 F99 | W92-M94 PolarHBondContact O-N 2.65Å; M94-M96 PolarHBondContact O-N 3.15Å; M94-F99 HydrophobicContact CB-CE2 4.47Å; M94-F99 HydrophobicContact CE-CE2 4.47Å; M94-F99 HydrophobicContact CE-CZ 4.1Å; M94-F99 HydrophobicContact SD-CE2 4.04Å; M94-F99 HydrophobicContact SD-CZ 4.05Å | ||
| 95 | N | 55.2 | Low | 52.3 | Low | 103 Ų | 103 | 135.1 Ų | 135.1 | 55% | 0.551 | 71% | 0.706 | S | S | * | * | trans | -52.9 | 110.3 | 177.2 | -174.2 | -6.9 | 0 | 0 | 0 | 109.8 | I93 Q97 A98 | I93-N95 PolarHBondContact O-N 2.85Å; I93-N95 VanDerWaalsContact O-N 3.15Å; N95-Q97 PolarHBondContact O-N 3.17Å; N95-Q97 PolarHBondContact OD1-N 3.12Å; N95-A98 VanDerWaalsContact O-CB 3.31Å; N95-A98 WeakPolarHBondContact O-CB 3.42Å; N95-A98 PolarHBondContact O-N 3.04Å | ||
| 96 | M | 58.2 | Low | 52.3 | Low | 143 Ų | 143 | 141.7 Ų | 141.7 | 70% | 0.704 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -58.5 | -25.1 | -173.5 | -82.3 | -96.2 | 62.9 | 0 | 0 | 113 | M94 A98 F99 | M94-M96 PolarHBondContact O-N 3.15Å; M96-A98 PolarHBondContact O-N 3.37Å; M96-F99 HydrophobicContact CE-CD2 4.16Å; M96-F99 PolarHBondContact O-N 3.03Å |
| 97 | Q | 57.7 | Low | 52.3 | Low | 159 Ų | 159 | 134.6 Ų | 134.6 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -63 | -20.3 | 174.8 | -113.4 | 156.7 | -22.4 | 0 | 0 | 113.8 | N95 F99 | N95-Q97 PolarHBondContact O-N 3.17Å; N95-Q97 PolarHBondContact OD1-N 3.12Å; Q97-F99 VanDerWaalsContact C-N 3.26Å; Q97-F99 PolarHBondContact O-N 3.26Å |
| 98 | A | 55.3 | Low | 52 | Low | 80 Ų | 80 | 134 Ų | 134 | 66% | 0.661 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -75.2 | -8.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N95 M96 | N95-A98 VanDerWaalsContact O-CB 3.31Å; N95-A98 WeakPolarHBondContact O-CB 3.42Å; N95-A98 PolarHBondContact O-N 3.04Å; M96-A98 PolarHBondContact O-N 3.37Å |
| 99 | F | 55.1 | Low | 51.5 | Low | 124 Ų | 124 | 133 Ų | 133 | 54% | 0.544 | 71% | 0.705 | S | S | . | * | G | 310 helix | trans | -105.9 | 1.2 | -179.8 | -70.9 | -75.6 | 0 | 0 | 0 | 114.6 | M94 M96 Q97 T101 | M94-F99 HydrophobicContact CB-CE2 4.47Å; M94-F99 HydrophobicContact CE-CE2 4.47Å; M94-F99 HydrophobicContact CE-CZ 4.1Å; M94-F99 HydrophobicContact SD-CE2 4.04Å; M94-F99 HydrophobicContact SD-CZ 4.05Å; M96-F99 HydrophobicContact CE-CD2 4.16Å; M96-F99 PolarHBondContact O-N 3.03Å; Q97-F99 VanDerWaalsContact C-N 3.26Å; Q97-F99 PolarHBondContact O-N 3.26Å; F99-T101 PolarHBondContact O-N 3.36Å |
| 100 | S | 52.5 | Low | 51.2 | Low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | trans | -76.2 | 75 | 171.7 | -71.1 | 0 | 0 | 0 | 0 | 111 | D102 | S100-D102 PolarHBondContact O-N 3.16Š| ||
| 101 | T | 49.2 | Very low | 50.3 | Low | 135 Ų | 135 | 136.3 Ų | 136.3 | 83% | 0.828 | 73% | 0.726 | S | S | * | * | trans | -73.8 | 78.2 | 163.6 | 56.2 | 0 | 0 | 0 | 0 | 109.2 | F99 K103 | F99-T101 PolarHBondContact O-N 3.36Å; T101-K103 PolarHBondContact O-N 3.2Å; T101-K103 VanDerWaalsContact O-N 3.16Å | ||
| 102 | D | 47.3 | Very low | 49.8 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -67.7 | 109.1 | 172 | -172.5 | -6.4 | 0 | 0 | 0 | 109.8 | S100 | S100-D102 PolarHBondContact O-N 3.16Š| ||
| 103 | K | 50.7 | Low | 49.4 | Very low | 188 Ų | 188 | 136.3 Ų | 136.3 | 82% | 0.817 | 74% | 0.737 | S | S | * | * | trans | -167.4 | 131.9 | 145.3 | -108.7 | 158.7 | -173.3 | 175.7 | 0 | 112.5 | T101 | T101-K103 PolarHBondContact O-N 3.2Å; T101-K103 VanDerWaalsContact O-N 3.16Å | ||
| 104 | S | 48.7 | Very low | 49.5 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | 81.4 | 107.1 | 162 | 72.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 105 | H | 44.6 | Very low | 49.9 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | trans | 46.6 | 104.8 | 133.9 | -77.8 | -90.9 | 0 | 0 | 0 | 119.7 | ||||
| 106 | R | 43.1 | Very low | 51.1 | Low | 256 Ų | 256 | 133 Ų | 133 | 97% | 0.966 | 73% | 0.732 | S | S | * | * | -147.3 | 106.4 | 118.3 | -120.5 | 168.7 | 176.9 | -106.6 | -2.6 | 111.5 | |||||
| 107 | S | 43.9 | Very low | 52.4 | Low | 95 Ų | 95 | 132.7 Ų | 132.7 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | trans | -68 | 162.3 | 177.2 | -46.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 108 | S | 46 | Very low | 53.4 | Low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | trans | 110.8 | 93.2 | 155.8 | -56.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 109 | N | 43.5 | Very low | 54.7 | Low | 144 Ų | 144 | 129.1 Ų | 129.1 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | trans | 59.3 | 96.1 | 133.9 | -51.3 | -6.5 | 0 | 0 | 0 | 118.5 | ||||
| 110 | N | 42 | Very low | 56.1 | Low | 145 Ų | 145 | 126.2 Ų | 126.2 | 78% | 0.775 | 69% | 0.69 | S | S | * | * | -175.8 | 140.6 | 107.7 | -89.6 | -17.6 | 0 | 0 | 0 | 112.5 | S112 | N110-S112 PolarHBondContact O-N 2.81Š| |||
| 111 | S | 41.6 | Very low | 57.6 | Low | 108 Ų | 108 | 123.2 Ų | 123.2 | 76% | 0.755 | 67% | 0.666 | S | S | * | * | trans | 24.7 | 87.3 | 159.2 | 58.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 112 | S | 46.5 | Very low | 59.3 | Low | 119 Ų | 119 | 119.4 Ų | 119.4 | 83% | 0.832 | 65% | 0.645 | S | S | * | * | trans | -100.6 | 31.5 | 172.1 | -52.8 | 0 | 0 | 0 | 0 | 113.2 | N110 | N110-S112 PolarHBondContact O-N 2.81Š| ||
| 113 | Q | 48.3 | Very low | 61.1 | Low | 170 Ų | 170 | 117.7 Ų | 117.7 | 79% | 0.794 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -127.4 | 144.2 | 171.4 | -71.4 | -178 | -39.9 | 0 | 0 | 108.6 | ||
| 114 | D | 53.7 | Low | 62.8 | Low | 160 Ų | 160 | 113.7 Ų | 113.7 | 86% | 0.856 | 62% | 0.619 | S | S | * | * | trans | 72.3 | 28.2 | 174.6 | -51.4 | -18.7 | 0 | 0 | 0 | 118.9 | S116 | D114-S116 PolarHBondContact O-N 3.24Š| ||
| 115 | V | 64.8 | Low | 64.5 | Low | 71 Ų | 71 | 111.4 Ų | 111.4 | 43% | 0.43 | 59% | 0.594 | S | S | . | * | trans | -69.2 | 111.6 | 158.7 | -153.7 | 0 | 0 | 0 | 0 | 108.4 | E119 V120 M123 | V115-E119 HydrophobicContact CG1-CB 4.14Å; V115-E119 HydrophobicContact CG1-CG 3.83Å; V115-E119 WeakPolarHBondContact CG1-OE2 3.43Å; V115-V120 HydrophobicContact CB-CG2 4.22Å; V115-V120 HydrophobicContact CG1-CG2 4Å; V115-M123 HydrophobicContact CG1-SD 4.26Å | ||
| 116 | S | 81.6 | Confident | 66.4 | Low | 70 Ų | 70 | 106 Ų | 106 | 49% | 0.49 | 57% | 0.571 | S | S | . | * | trans | -63.1 | 148.5 | -174.2 | 176.3 | 0 | 0 | 0 | 0 | 111.7 | D114 L118 E119 V120 | D114-S116 PolarHBondContact O-N 3.24Å; S116-L118 PolarHBondContact O-N 3.47Å; S116-L118 VanDerWaalsContact O-N 3.11Å; S116-E119 PolarHBondContact N-OE2 3Å; S116-E119 WeakPolarHBondContact O-CA 3.49Å; S116-E119 WeakPolarHBondContact O-CB 3.31Å; S116-E119 PolarHBondContact O-N 3.16Å; S116-V120 PolarHBondContact O-N 3.35Å | ||
| 117 | K | 83.6 | Confident | 68.2 | Low | 135 Ų | 135 | 95.6 Ų | 95.6 | 59% | 0.587 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -50.3 | -40.5 | 174.7 | -178.5 | -173.9 | 173.2 | -166.1 | 0 | 111.4 | L121 | K117-L121 HydrophobicContact CG-CD1 4.08Å; K117-L121 WeakPolarHBondContact O-CB 3.5Å; K117-L121 WeakPolarHBondContact O-CD1 3.39Å; K117-L121 WeakPolarHBondContact O-CG 3.16Å; K117-L121 PolarHBondContact O-N 2.94Å; K117-L121 VanDerWaalsContact O-N 3.09Å |
| 118 | L | 79 | Confident | 70 | Confident | 62 Ų | 62 | 97.9 Ų | 97.9 | 33% | 0.325 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.8 | -34.1 | 178.1 | -175.5 | 61.7 | 0 | 0 | 0 | 112.7 | M68 S116 S122 | M68-L118 HydrophobicContact CG-CD1 3.65Å; M68-L118 HydrophobicContact CG-CD2 3.86Å; M68-L118 HydrophobicContact CG-CG 4.43Å; M68-L118 HydrophobicContact SD-CD1 3.75Å; M68-L118 HydrophobicContact SD-CD2 4.37Å; S116-L118 PolarHBondContact O-N 3.47Å; S116-L118 VanDerWaalsContact O-N 3.11Å; L118-S122 WeakPolarHBondContact O-CB 3.37Å; L118-S122 PolarHBondContact O-N 3.1Å |
| 119 | E | 82.7 | Confident | 71.6 | Confident | 102 Ų | 102 | 102.1 Ų | 102.1 | 48% | 0.477 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.6 | -44.9 | 177 | -175 | 177.8 | -168.5 | 0 | 0 | 111.2 | V115 S116 L121 S122 M123 | V115-E119 HydrophobicContact CG1-CB 4.14Å; V115-E119 HydrophobicContact CG1-CG 3.83Å; V115-E119 WeakPolarHBondContact CG1-OE2 3.43Å; S116-E119 PolarHBondContact N-OE2 3Å; S116-E119 WeakPolarHBondContact O-CA 3.49Å; S116-E119 WeakPolarHBondContact O-CB 3.31Å; S116-E119 PolarHBondContact O-N 3.16Å; E119-L121 VanDerWaalsContact C-N 3.29Å; E119-L121 PolarHBondContact O-N 3.42Å; E119-S122 CarbonylContact O-C 3.54Å; E119-S122 WeakPolarHBondContact O-CA 3.39Å; E119-S122 WeakPolarHBondContact O-CB 3.23Å; E119-S122 PolarHBondContact O-N 3.07Å; E119-S122 VanDerWaalsContact O-N 3.09Å; E119-M123 WeakPolarHBondContact O-CG 3.46Å; E119-M123 PolarHBondContact O-N 2.96Å |
| 120 | V | 84.5 | Confident | 73.2 | Confident | 64 Ų | 64 | 100.7 Ų | 100.7 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -55.9 | -45.5 | 172.5 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | V115 S116 M123 M124 | V115-V120 HydrophobicContact CB-CG2 4.22Å; V115-V120 HydrophobicContact CG1-CG2 4Å; S116-V120 PolarHBondContact O-N 3.35Å; V120-M123 PolarHBondContact O-N 2.91Å; V120-M124 HydrophobicContact CG1-SD 4.38Å; V120-M124 VanDerWaalsContact O-CG 3.31Å; V120-M124 WeakPolarHBondContact O-CG 3.44Å; V120-M124 PolarHBondContact O-N 3.33Å |
| 121 | L | 85 | Confident | 74.4 | Confident | 35 Ų | 35 | 102.7 Ų | 102.7 | 18% | 0.183 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 175.4 | -75.4 | 167.1 | 0 | 0 | 0 | 112.2 | E64 K117 E119 M124 R125 | E64-L121 HydrophobicContact CB-CD1 4.15Å; E64-L121 HydrophobicContact CG-CB 4.4Å; E64-L121 HydrophobicContact CG-CD1 3.9Å; E64-L121 HydrophobicContact CG-CD2 4.08Å; E64-L121 HydrophobicContact CG-CG 4.34Å; E64-L121 WeakPolarHBondContact OE1-CB 3.5Å; K117-L121 HydrophobicContact CG-CD1 4.08Å; K117-L121 WeakPolarHBondContact O-CB 3.5Å; K117-L121 WeakPolarHBondContact O-CD1 3.39Å; K117-L121 WeakPolarHBondContact O-CG 3.16Å; K117-L121 PolarHBondContact O-N 2.94Å; K117-L121 VanDerWaalsContact O-N 3.09Å; E119-L121 VanDerWaalsContact C-N 3.29Å; E119-L121 PolarHBondContact O-N 3.42Å; L121-M124 PolarHBondContact O-N 3.49Å; L121-R125 PolarHBondContact O-N 3.26Å |
| 122 | S | 85.2 | Confident | 75.3 | Confident | 56 Ų | 56 | 103.6 Ų | 103.6 | 39% | 0.392 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.5 | -47 | 173.6 | -162.1 | 0 | 0 | 0 | 0 | 112.3 | L118 E119 M124 R125 D126 | L118-S122 WeakPolarHBondContact O-CB 3.37Å; L118-S122 PolarHBondContact O-N 3.1Å; E119-S122 CarbonylContact O-C 3.54Å; E119-S122 WeakPolarHBondContact O-CA 3.39Å; E119-S122 WeakPolarHBondContact O-CB 3.23Å; E119-S122 PolarHBondContact O-N 3.07Å; E119-S122 VanDerWaalsContact O-N 3.09Å; S122-M124 VanDerWaalsContact C-N 3.31Å; S122-M124 PolarHBondContact O-N 3.4Å; S122-R125 WeakPolarHBondContact O-CB 3.48Å; S122-R125 PolarHBondContact O-N 3.18Å; S122-D126 VanDerWaalsContact O-CB 3.31Å; S122-D126 WeakPolarHBondContact O-CB 3.37Å; S122-D126 PolarHBondContact O-N 2.76Å |
| 123 | M | 84.9 | Confident | 76.3 | Confident | 112 Ų | 112 | 101.8 Ų | 101.8 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.2 | -40 | 174.3 | -69.3 | 173 | 74.2 | 0 | 0 | 111.8 | V115 E119 V120 A127 | V115-M123 HydrophobicContact CG1-SD 4.26Å; E119-M123 WeakPolarHBondContact O-CG 3.46Å; E119-M123 PolarHBondContact O-N 2.96Å; V120-M123 PolarHBondContact O-N 2.91Å; M123-A127 WeakPolarHBondContact O-CB 3.45Å; M123-A127 PolarHBondContact O-N 3.05Å |
| 124 | M | 85.6 | Confident | 76.8 | Confident | 104 Ų | 104 | 99.4 Ų | 99.4 | 51% | 0.512 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 175.7 | -72.7 | 177.9 | 74.5 | 0 | 0 | 112.2 | V120 L121 S122 K128 | V120-M124 HydrophobicContact CG1-SD 4.38Å; V120-M124 VanDerWaalsContact O-CG 3.31Å; V120-M124 WeakPolarHBondContact O-CG 3.44Å; V120-M124 PolarHBondContact O-N 3.33Å; L121-M124 PolarHBondContact O-N 3.49Å; S122-M124 VanDerWaalsContact C-N 3.31Å; S122-M124 PolarHBondContact O-N 3.4Å; M124-K128 WeakPolarHBondContact O-CG 3.5Å; M124-K128 PolarHBondContact O-N 3.42Å |
| 125 | R | 84.4 | Confident | 77.1 | Confident | 56 Ų | 56 | 101.5 Ų | 101.5 | 21% | 0.211 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 176 | -166.9 | -172.3 | -51.8 | 104.5 | 8.9 | 111.5 | E64 L121 S122 K128 R129 | E64-R125 IonicContact OE1-CZ 2.65Å; E64-R125 IonicContact OE1-NH2 3.47Å; E64-R125 PolarHBondContact OE1-NH2 3.41Å; E64-R125 IonicContact OE2-CZ 3.75Å; E64-R125 IonicContact OE2-NE 3.94Å; E64-R125 IonicContact OE2-NH2 2.67Å; E64-R125 PolarHBondContact OE2-NH2 2.93Å; L121-R125 PolarHBondContact O-N 3.26Å; S122-R125 WeakPolarHBondContact O-CB 3.48Å; S122-R125 PolarHBondContact O-N 3.18Å; R125-K128 WeakPolarHBondContact O-CB 3.29Å; R125-K128 PolarHBondContact O-N 3.47Å; R125-R129 PolarHBondContact O-N 2.93Å |
| 126 | D | 85.1 | Confident | 76.9 | Confident | 58 Ų | 58 | 101.1 Ų | 101.1 | 31% | 0.31 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 177.3 | 178.9 | 34.1 | 0 | 0 | 0 | 111.6 | S122 K128 R129 R130 | S122-D126 VanDerWaalsContact O-CB 3.31Å; S122-D126 WeakPolarHBondContact O-CB 3.37Å; S122-D126 PolarHBondContact O-N 2.76Å; D126-K128 PolarHBondContact O-N 3.21Å; D126-R129 WeakPolarHBondContact O-CB 3.44Å; D126-R129 PolarHBondContact O-N 3.48Å; D126-R130 WeakPolarHBondContact O-CB 3.39Å; D126-R130 WeakPolarHBondContact O-CG 3.34Å; D126-R130 PolarHBondContact O-N 3.25Å; D126-R130 IonicContact OD1-CZ 3.8Å; D126-R130 IonicContact OD1-NE 3.47Å; D126-R130 IonicContact OD1-NH1 2.69Å; D126-R130 PolarHBondContact OD1-NH1 3.18Å; D126-R130 IonicContact OD1-NH2 2.99Å; D126-R130 PolarHBondContact OD1-NH2 2.73Å; D126-R130 IonicContact OD2-CZ 4Å; D126-R130 IonicContact OD2-NH1 3.43Å; D126-R130 PolarHBondContact OD2-NH1 2.9Å; D126-R130 IonicContact OD2-NH2 3.04Å; D126-R130 PolarHBondContact OD2-NH2 3.5Å |
| 127 | A | 80.9 | Confident | 76 | Confident | 38 Ų | 38 | 102.7 Ų | 102.7 | 31% | 0.314 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | M123 R131 | M123-A127 WeakPolarHBondContact O-CB 3.45Å; M123-A127 PolarHBondContact O-N 3.05Å; A127-R131 WeakPolarHBondContact O-CB 3.13Å; A127-R131 VanDerWaalsContact O-CG 3.24Å; A127-R131 WeakPolarHBondContact O-CG 3.47Å; A127-R131 PolarHBondContact O-N 3.49Å |
| 128 | K | 82.4 | Confident | 74.8 | Confident | 143 Ų | 143 | 102.1 Ų | 102.1 | 62% | 0.622 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.3 | -41.5 | 172.7 | -75.8 | 173 | -176.9 | 175.7 | 0 | 111.8 | M124 R125 D126 R131 | M124-K128 WeakPolarHBondContact O-CG 3.5Å; M124-K128 PolarHBondContact O-N 3.42Å; R125-K128 WeakPolarHBondContact O-CB 3.29Å; R125-K128 PolarHBondContact O-N 3.47Å; D126-K128 PolarHBondContact O-N 3.21Å; K128-R131 PolarHBondContact O-N 2.85Å |
| 129 | R | 79.3 | Confident | 73.9 | Confident | 192 Ų | 192 | 105.8 Ų | 105.8 | 73% | 0.725 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62 | -49.8 | 175.5 | -171.4 | -176.5 | -72.1 | -115 | 3.5 | 110.8 | R125 D126 R131 Q132 | R125-R129 PolarHBondContact O-N 2.93Å; D126-R129 WeakPolarHBondContact O-CB 3.44Å; D126-R129 PolarHBondContact O-N 3.48Å; R129-R131 VanDerWaalsContact C-N 3.34Å; R129-R131 PolarHBondContact O-N 2.77Å; R129-Q132 PolarHBondContact O-N 2.9Å |
| 130 | R | 76.3 | Confident | 73.1 | Confident | 115 Ų | 115 | 104.2 Ų | 104.2 | 43% | 0.434 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.7 | -37 | 174.5 | -73.5 | -159.8 | -162.8 | 86.8 | 5.5 | 113.3 | D126 Q132 S133 Y134 | D126-R130 WeakPolarHBondContact O-CB 3.39Å; D126-R130 WeakPolarHBondContact O-CG 3.34Å; D126-R130 PolarHBondContact O-N 3.25Å; D126-R130 IonicContact OD1-CZ 3.8Å; D126-R130 IonicContact OD1-NE 3.47Å; D126-R130 IonicContact OD1-NH1 2.69Å; D126-R130 PolarHBondContact OD1-NH1 3.18Å; D126-R130 IonicContact OD1-NH2 2.99Å; D126-R130 PolarHBondContact OD1-NH2 2.73Å; D126-R130 IonicContact OD2-CZ 4Å; D126-R130 IonicContact OD2-NH1 3.43Å; D126-R130 PolarHBondContact OD2-NH1 2.9Å; D126-R130 IonicContact OD2-NH2 3.04Å; D126-R130 PolarHBondContact OD2-NH2 3.5Å; R130-Q132 PolarHBondContact O-N 2.96Å; R130-Q132 VanDerWaalsContact O-N 3.17Å; R130-S133 PolarHBondContact O-N 3.37Å; R130-S133 VanDerWaalsContact O-N 3.09Å; R130-S133 PolarHBondContact O-OG 2.91Å; R130-Y134 HydrophobicContact CB-CD2 3.96Å; R130-Y134 HydrophobicContact CB-CE2 3.81Å; R130-Y134 HydrophobicContact CG-CE2 4.24Å; R130-Y134 WeakPolarHBondContact O-CD2 3.49Å; R130-Y134 PolarHBondContact O-N 3.3Å |
| 131 | R | 67.2 | Low | 72.5 | Confident | 186 Ų | 186 | 113 Ų | 113 | 70% | 0.702 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.7 | -24 | 177.1 | -80.4 | 171.9 | -170.6 | -86.1 | 3.5 | 113.5 | A127 K128 R129 R135 | A127-R131 WeakPolarHBondContact O-CB 3.13Å; A127-R131 VanDerWaalsContact O-CG 3.24Å; A127-R131 WeakPolarHBondContact O-CG 3.47Å; A127-R131 PolarHBondContact O-N 3.49Å; K128-R131 PolarHBondContact O-N 2.85Å; R129-R131 VanDerWaalsContact C-N 3.34Å; R129-R131 PolarHBondContact O-N 2.77Å; R131-R135 PolarHBondContact O-N 3.18Å |
| 132 | Q | 61.6 | Low | 72.2 | Confident | 128 Ų | 128 | 116 Ų | 116 | 60% | 0.598 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -78.5 | -38 | 173 | -60.4 | -64.4 | -2.8 | 0 | 0 | 112.2 | R129 R130 R135 | R129-Q132 PolarHBondContact O-N 2.9Å; R130-Q132 PolarHBondContact O-N 2.96Å; R130-Q132 VanDerWaalsContact O-N 3.17Å; Q132-R135 WeakPolarHBondContact O-CB 3.39Å; Q132-R135 PolarHBondContact O-N 2.98Å |
| 133 | S | 66 | Low | 72.3 | Confident | 81 Ų | 81 | 115.8 Ų | 115.8 | 57% | 0.566 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71 | -35.6 | 174.9 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | R130 R135 | R130-S133 PolarHBondContact O-N 3.37Å; R130-S133 VanDerWaalsContact O-N 3.09Å; R130-S133 PolarHBondContact O-OG 2.91Å; S133-R135 PolarHBondContact O-N 3.35Å |
| 134 | Y | 59.1 | Low | 72.5 | Confident | 120 Ų | 120 | 119 Ų | 119 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -78.9 | 2.1 | 175.3 | -64.8 | -60.6 | 0 | 0 | 0 | 114.4 | R130 G136 I137 | R130-Y134 HydrophobicContact CB-CD2 3.96Å; R130-Y134 HydrophobicContact CB-CE2 3.81Å; R130-Y134 HydrophobicContact CG-CE2 4.24Å; R130-Y134 WeakPolarHBondContact O-CD2 3.49Å; R130-Y134 PolarHBondContact O-N 3.3Å; Y134-G136 PolarHBondContact O-N 3.34Å; Y134-I137 HydrophobicContact CD1-CB 4.16Å; Y134-I137 HydrophobicContact CD1-CD1 3.66Å; Y134-I137 HydrophobicContact CD1-CG1 4.45Å; Y134-I137 HydrophobicContact CD1-CG2 4.37Å; Y134-I137 HydrophobicContact CE1-CD1 4.1Å; Y134-I137 PolarHBondContact O-N 3.48Å |
| 135 | R | 60.7 | Low | 72.6 | Confident | 203 Ų | 203 | 117.6 Ų | 117.6 | 77% | 0.766 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -72.2 | 1.4 | -175.1 | -125.4 | 176.7 | 177 | -163.6 | -4.3 | 115.4 | R131 Q132 S133 | R131-R135 PolarHBondContact O-N 3.18Å; Q132-R135 WeakPolarHBondContact O-CB 3.39Å; Q132-R135 PolarHBondContact O-N 2.98Å; S133-R135 PolarHBondContact O-N 3.35Å |
| 136 | G | 60.1 | Low | 72.7 | Confident | 64 Ų | 64 | 116.7 Ų | 116.7 | 66% | 0.66 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -128.8 | 8.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y134 | Y134-G136 PolarHBondContact O-N 3.34Š|
| 137 | I | 63.1 | Low | 72.8 | Confident | 102 Ų | 102 | 116.5 Ų | 116.5 | 52% | 0.523 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -103 | 113.3 | -179.3 | -65.2 | 169.5 | 0 | 0 | 0 | 107.8 | Y134 T139 | Y134-I137 HydrophobicContact CD1-CB 4.16Å; Y134-I137 HydrophobicContact CD1-CD1 3.66Å; Y134-I137 HydrophobicContact CD1-CG1 4.45Å; Y134-I137 HydrophobicContact CD1-CG2 4.37Å; Y134-I137 HydrophobicContact CE1-CD1 4.1Å; Y134-I137 PolarHBondContact O-N 3.48Å; I137-T139 PolarHBondContact O-N 3.32Å |
| 138 | H | 57 | Low | 73.4 | Confident | 123 Ų | 123 | 118 Ų | 118 | 57% | 0.569 | 56% | 0.562 | S | S | * | * | trans | -63.7 | 98.1 | -176.4 | -69.2 | -90 | 0 | 0 | 0 | 111.2 | A140 E146 | H138-A140 CarbonylContact C-O 3.57Å; H138-E146 IonicContact CD2-OE1 3.68Å; H138-E146 PolarHBondContact CD2-OE1 3.36Å; H138-E146 IonicContact CD2-OE2 2.77Å; H138-E146 IonicContact CG-OE1 3.37Å; H138-E146 IonicContact CG-OE2 3.96Å; H138-E146 IonicContact NE2-OE1 2.99Å | ||
| 139 | T | 61.3 | Low | 73.9 | Confident | 139 Ų | 139 | 118.9 Ų | 118.9 | 85% | 0.853 | 56% | 0.562 | S | S | * | * | trans | -76.6 | -13 | 169.1 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | I137 | I137-T139 PolarHBondContact O-N 3.32Š| ||
| 140 | A | 66.3 | Low | 74.4 | Confident | 69 Ų | 69 | 113.3 Ų | 113.3 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -82.5 | 156.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | H138 K142 | H138-A140 CarbonylContact C-O 3.57Å; A140-K142 PolarHBondContact O-N 3.37Å |
| 141 | R | 70.9 | Confident | 75.3 | Confident | 249 Ų | 249 | 111.1 Ų | 111.1 | 94% | 0.94 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 127.7 | 177.1 | -58.2 | 177.1 | 87.1 | 144.1 | 3.2 | 109.7 | S143 | R141-S143 PolarHBondContact O-N 3.07Š|
| 142 | K | 79.7 | Confident | 76.6 | Confident | 98 Ų | 98 | 107 Ų | 107 | 43% | 0.426 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -49.7 | 136.5 | 176.8 | -62.3 | -179.3 | 172.7 | 171.2 | 0 | 110.5 | A140 E146 V147 E150 | A140-K142 PolarHBondContact O-N 3.37Å; K142-E146 VanDerWaalsContact CA-OE2 3.29Å; K142-E146 WeakPolarHBondContact CA-OE2 3.46Å; K142-E146 HydrophobicContact CB-CB 4.43Å; K142-E146 HydrophobicContact CB-CG 4.32Å; K142-V147 HydrophobicContact CB-CG2 3.76Å; K142-V147 HydrophobicContact CD-CG2 4.38Å; K142-E150 WeakPolarHBondContact CD-OE2 3.11Å; K142-E150 IonicContact NZ-OE1 2.68Å; K142-E150 PolarHBondContact NZ-OE1 3.45Å; K142-E150 IonicContact NZ-OE2 2.69Å; K142-E150 PolarHBondContact NZ-OE2 3.25Å |
| 143 | S | 85.9 | Confident | 78.1 | Confident | 52 Ų | 52 | 103.4 Ų | 103.4 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 155.1 | 174.8 | 76.2 | 0 | 0 | 0 | 0 | 110.7 | R141 T145 E146 V147 | R141-S143 PolarHBondContact O-N 3.07Å; S143-T145 PolarHBondContact O-N 3.37Å; S143-T145 VanDerWaalsContact O-N 3.15Å; S143-T145 PolarHBondContact OG-OG1 3.45Å; S143-E146 PolarHBondContact N-OE2 3.42Å; S143-E146 WeakPolarHBondContact O-CA 3.3Å; S143-E146 VanDerWaalsContact O-CB 3.32Å; S143-E146 WeakPolarHBondContact O-CB 3.32Å; S143-E146 PolarHBondContact O-N 3.26Å; S143-E146 WeakPolarHBondContact OG-CB 3.28Å; S143-E146 PolarHBondContact OG-N 3.02Å; S143-V147 PolarHBondContact O-N 3.37Å |
| 144 | Y | 88.9 | Confident | 79.4 | Confident | 179 Ų | 179 | 104.2 Ų | 104.2 | 70% | 0.702 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -52.5 | -38.9 | 173.9 | 176.6 | -110.7 | 0 | 0 | 0 | 112.1 | E146 V147 L148 | Y144-E146 VanDerWaalsContact C-N 3.27Å; Y144-E146 PolarHBondContact O-N 3.49Å; Y144-V147 PolarHBondContact O-N 2.95Å; Y144-L148 HydrophobicContact CD1-CD1 4.03Å; Y144-L148 HydrophobicContact CE1-CD1 3.51Å; Y144-L148 HydrophobicContact CE1-CG 4.25Å; Y144-L148 HydrophobicContact CE2-CD1 4.42Å; Y144-L148 HydrophobicContact CE2-CD2 4.48Å; Y144-L148 HydrophobicContact CE2-CG 4.33Å; Y144-L148 WeakPolarHBondContact O-CG 3.37Å; Y144-L148 PolarHBondContact O-N 3.43Å |
| 145 | T | 88.4 | Confident | 81.1 | Confident | 75 Ų | 75 | 104 Ų | 104 | 46% | 0.46 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.3 | -21 | 176.5 | 75.6 | 0 | 0 | 0 | 0 | 114.7 | S143 R149 | S143-T145 PolarHBondContact O-N 3.37Å; S143-T145 VanDerWaalsContact O-N 3.15Å; S143-T145 PolarHBondContact OG-OG1 3.45Å; T145-R149 WeakPolarHBondContact O-CG 3.42Å; T145-R149 PolarHBondContact O-N 3.23Å; T145-R149 PolarHBondContact O-NE 2.82Å; T145-R149 PolarHBondContact OG1-NH2 2.81Å |
| 146 | E | 86.2 | Confident | 82.7 | Confident | 37 Ų | 37 | 97.8 Ų | 97.8 | 17% | 0.173 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -86.4 | -41.9 | 178.9 | -175.5 | -171.8 | 162.1 | 0 | 0 | 109.6 | H138 K142 S143 Y144 L148 R149 E150 | H138-E146 IonicContact CD2-OE1 3.68Å; H138-E146 PolarHBondContact CD2-OE1 3.36Å; H138-E146 IonicContact CD2-OE2 2.77Å; H138-E146 IonicContact CG-OE1 3.37Å; H138-E146 IonicContact CG-OE2 3.96Å; H138-E146 IonicContact NE2-OE1 2.99Å; K142-E146 VanDerWaalsContact CA-OE2 3.29Å; K142-E146 WeakPolarHBondContact CA-OE2 3.46Å; K142-E146 HydrophobicContact CB-CB 4.43Å; K142-E146 HydrophobicContact CB-CG 4.32Å; S143-E146 PolarHBondContact N-OE2 3.42Å; S143-E146 WeakPolarHBondContact O-CA 3.3Å; S143-E146 VanDerWaalsContact O-CB 3.32Å; S143-E146 WeakPolarHBondContact O-CB 3.32Å; S143-E146 PolarHBondContact O-N 3.26Å; S143-E146 WeakPolarHBondContact OG-CB 3.28Å; S143-E146 PolarHBondContact OG-N 3.02Å; Y144-E146 VanDerWaalsContact C-N 3.27Å; Y144-E146 PolarHBondContact O-N 3.49Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 3.01Å; E146-R149 WeakPolarHBondContact O-CB 3.2Å; E146-R149 PolarHBondContact O-N 3.47Å; E146-R149 VanDerWaalsContact O-N 3.12Å; E146-E150 PolarHBondContact O-N 2.83Å |
| 147 | V | 88.4 | Confident | 84.3 | Confident | 53 Ų | 53 | 101.4 Ų | 101.4 | 32% | 0.321 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | 169.3 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | K142 S143 Y144 R149 E150 I151 | K142-V147 HydrophobicContact CB-CG2 3.76Å; K142-V147 HydrophobicContact CD-CG2 4.38Å; S143-V147 PolarHBondContact O-N 3.37Å; Y144-V147 PolarHBondContact O-N 2.95Å; V147-R149 VanDerWaalsContact C-N 3.34Å; V147-R149 PolarHBondContact O-N 3.12Å; V147-E150 PolarHBondContact O-N 3.47Å; V147-I151 HydrophobicContact CG1-CD1 3.89Å; V147-I151 VanDerWaalsContact O-CG1 3.31Å; V147-I151 WeakPolarHBondContact O-CG1 3.41Å; V147-I151 PolarHBondContact O-N 3.13Å |
| 148 | L | 92.8 | Very high | 85.7 | Confident | 69 Ų | 69 | 101.8 Ų | 101.8 | 36% | 0.361 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 173.7 | -73.3 | 178.6 | 0 | 0 | 0 | 112.7 | Y144 E146 I151 I152 | Y144-L148 HydrophobicContact CD1-CD1 4.03Å; Y144-L148 HydrophobicContact CE1-CD1 3.51Å; Y144-L148 HydrophobicContact CE1-CG 4.25Å; Y144-L148 HydrophobicContact CE2-CD1 4.42Å; Y144-L148 HydrophobicContact CE2-CD2 4.48Å; Y144-L148 HydrophobicContact CE2-CG 4.33Å; Y144-L148 WeakPolarHBondContact O-CG 3.37Å; Y144-L148 PolarHBondContact O-N 3.43Å; E146-L148 VanDerWaalsContact C-N 3.33Å; E146-L148 PolarHBondContact O-N 3.01Å; L148-I151 PolarHBondContact O-N 2.98Å; L148-I152 WeakPolarHBondContact O-CB 3.41Å; L148-I152 WeakPolarHBondContact O-CD1 3.3Å; L148-I152 VanDerWaalsContact O-CG1 3.23Å; L148-I152 WeakPolarHBondContact O-CG1 3.33Å; L148-I152 PolarHBondContact O-N 3.01Å |
| 149 | R | 91.9 | Very high | 87.4 | Confident | 163 Ų | 163 | 101.7 Ų | 101.7 | 62% | 0.615 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65 | -39.2 | 176.4 | -84 | 178.1 | -88.9 | -178.1 | -7.5 | 112.1 | T145 E146 V147 A153 | T145-R149 WeakPolarHBondContact O-CG 3.42Å; T145-R149 PolarHBondContact O-N 3.23Å; T145-R149 PolarHBondContact O-NE 2.82Å; T145-R149 PolarHBondContact OG1-NH2 2.81Å; E146-R149 WeakPolarHBondContact O-CB 3.2Å; E146-R149 PolarHBondContact O-N 3.47Å; E146-R149 VanDerWaalsContact O-N 3.12Å; V147-R149 VanDerWaalsContact C-N 3.34Å; V147-R149 PolarHBondContact O-N 3.12Å; R149-A153 WeakPolarHBondContact O-CB 3.47Å; R149-A153 PolarHBondContact O-N 3.45Å |
| 150 | E | 90.5 | Very high | 88.8 | Confident | 75 Ų | 75 | 98.4 Ų | 98.4 | 35% | 0.35 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 175.5 | -177.4 | 172.4 | -145.9 | 0 | 0 | 112.1 | K142 E146 V147 A153 Q154 | K142-E150 WeakPolarHBondContact CD-OE2 3.11Å; K142-E150 IonicContact NZ-OE1 2.68Å; K142-E150 PolarHBondContact NZ-OE1 3.45Å; K142-E150 IonicContact NZ-OE2 2.69Å; K142-E150 PolarHBondContact NZ-OE2 3.25Å; E146-E150 PolarHBondContact O-N 2.83Å; V147-E150 PolarHBondContact O-N 3.47Å; E150-A153 PolarHBondContact O-N 3.06Å; E150-Q154 WeakPolarHBondContact O-CG 3.32Å; E150-Q154 PolarHBondContact O-N 2.83Å |
| 151 | I | 94.8 | Very high | 89.9 | Confident | 69 Ų | 69 | 97.2 Ų | 97.2 | 35% | 0.354 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 176.2 | -68.1 | 165.2 | 0 | 0 | 0 | 111 | V147 L148 Q154 Q155 | V147-I151 HydrophobicContact CG1-CD1 3.89Å; V147-I151 VanDerWaalsContact O-CG1 3.31Å; V147-I151 WeakPolarHBondContact O-CG1 3.41Å; V147-I151 PolarHBondContact O-N 3.13Å; L148-I151 PolarHBondContact O-N 2.98Å; I151-Q154 PolarHBondContact O-N 3.34Å; I151-Q155 HydrophobicContact CG2-CG 4.49Å; I151-Q155 WeakPolarHBondContact O-CB 3.5Å; I151-Q155 WeakPolarHBondContact O-CG 3.31Å; I151-Q155 PolarHBondContact O-N 3.14Å |
| 152 | I | 94.4 | Very high | 90.8 | Very high | 100 Ų | 100 | 88.6 Ų | 88.6 | 51% | 0.513 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 177.8 | -68.9 | 164.4 | 0 | 0 | 0 | 110.2 | L148 Q154 Q155 T156 | L148-I152 WeakPolarHBondContact O-CB 3.41Å; L148-I152 WeakPolarHBondContact O-CD1 3.3Å; L148-I152 VanDerWaalsContact O-CG1 3.23Å; L148-I152 WeakPolarHBondContact O-CG1 3.33Å; L148-I152 PolarHBondContact O-N 3.01Å; I152-Q154 PolarHBondContact O-N 3.08Å; I152-Q155 PolarHBondContact O-N 3.06Å; I152-T156 HydrophobicContact CG2-CG2 4.42Å; I152-T156 WeakPolarHBondContact O-CG2 3.4Å; I152-T156 PolarHBondContact O-N 2.83Å; I152-T156 PolarHBondContact O-OG1 3.43Å; I152-T156 VanDerWaalsContact O-OG1 3.08Å |
| 153 | A | 93.2 | Very high | 91.2 | Very high | 51 Ų | 51 | 89 Ų | 89 | 42% | 0.421 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | R149 E150 Q155 T156 E157 | R149-A153 WeakPolarHBondContact O-CB 3.47Å; R149-A153 PolarHBondContact O-N 3.45Å; E150-A153 PolarHBondContact O-N 3.06Å; A153-Q155 PolarHBondContact O-N 3.31Å; A153-T156 WeakPolarHBondContact CA-OG1 3.49Å; A153-T156 PolarHBondContact O-N 3.41Å; A153-T156 PolarHBondContact O-OG1 2.84Å; A153-E157 WeakPolarHBondContact O-CB 3.46Å; A153-E157 PolarHBondContact O-N 3.41Å |
| 154 | Q | 94.4 | Very high | 91.3 | Very high | 99 Ų | 99 | 91.5 Ų | 91.5 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 176.5 | -72.4 | 173.4 | -8.8 | 0 | 0 | 112.2 | E150 I151 I152 E157 I158 | E150-Q154 WeakPolarHBondContact O-CG 3.32Å; E150-Q154 PolarHBondContact O-N 2.83Å; I151-Q154 PolarHBondContact O-N 3.34Å; I152-Q154 PolarHBondContact O-N 3.08Å; Q154-E157 PolarHBondContact O-N 3.42Å; Q154-I158 WeakPolarHBondContact O-CD1 3.04Å; Q154-I158 VanDerWaalsContact O-CG1 3.28Å; Q154-I158 WeakPolarHBondContact O-CG1 3.32Å; Q154-I158 PolarHBondContact O-N 3.16Å |
| 155 | Q | 94.6 | Very high | 91 | Very high | 114 Ų | 114 | 87.7 Ų | 87.7 | 53% | 0.533 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 177.3 | -73.8 | 177.7 | -12.6 | 0 | 0 | 112.1 | I151 I152 A153 L159 | I151-Q155 HydrophobicContact CG2-CG 4.49Å; I151-Q155 WeakPolarHBondContact O-CB 3.5Å; I151-Q155 WeakPolarHBondContact O-CG 3.31Å; I151-Q155 PolarHBondContact O-N 3.14Å; I152-Q155 PolarHBondContact O-N 3.06Å; A153-Q155 PolarHBondContact O-N 3.31Å; Q155-L159 WeakPolarHBondContact O-CB 3.29Å; Q155-L159 VanDerWaalsContact O-CG 3.27Å; Q155-L159 WeakPolarHBondContact O-CG 3.04Å; Q155-L159 PolarHBondContact O-N 2.96Å; Q155-L159 VanDerWaalsContact O-N 3.07Å |
| 156 | T | 93.3 | Very high | 90.4 | Very high | 73 Ų | 73 | 87.4 Ų | 87.4 | 45% | 0.448 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 175.2 | 49.4 | 0 | 0 | 0 | 0 | 112.1 | I152 A153 L159 T160 | I152-T156 HydrophobicContact CG2-CG2 4.42Å; I152-T156 WeakPolarHBondContact O-CG2 3.4Å; I152-T156 PolarHBondContact O-N 2.83Å; I152-T156 PolarHBondContact O-OG1 3.43Å; I152-T156 VanDerWaalsContact O-OG1 3.08Å; A153-T156 WeakPolarHBondContact CA-OG1 3.49Å; A153-T156 PolarHBondContact O-N 3.41Å; A153-T156 PolarHBondContact O-OG1 2.84Å; T156-L159 PolarHBondContact O-N 2.88Å; T156-T160 WeakPolarHBondContact O-CB 3.48Å; T156-T160 PolarHBondContact O-N 3.41Å; T156-T160 PolarHBondContact O-OG1 2.86Å; T156-T160 VanDerWaalsContact O-OG1 3.1Å |
| 157 | E | 93.7 | Very high | 90 | Very high | 140 Ų | 140 | 89.9 Ų | 89.9 | 65% | 0.654 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.1 | -45.9 | 177.1 | -176.2 | 175.7 | -165.9 | 0 | 0 | 111.7 | A153 Q154 L159 T160 A161 | A153-E157 WeakPolarHBondContact O-CB 3.46Å; A153-E157 PolarHBondContact O-N 3.41Å; Q154-E157 PolarHBondContact O-N 3.42Å; E157-L159 PolarHBondContact O-N 3.27Å; E157-T160 PolarHBondContact O-N 3.5Å; E157-A161 WeakPolarHBondContact O-CB 3.35Å; E157-A161 PolarHBondContact O-N 3.4Å |
| 158 | I | 92.2 | Very high | 89.1 | Confident | 110 Ų | 110 | 92.6 Ų | 92.6 | 56% | 0.564 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.5 | -41.8 | 176.9 | -67.7 | 163.9 | 0 | 0 | 0 | 111.6 | Q154 S162 | Q154-I158 WeakPolarHBondContact O-CD1 3.04Å; Q154-I158 VanDerWaalsContact O-CG1 3.28Å; Q154-I158 WeakPolarHBondContact O-CG1 3.32Å; Q154-I158 PolarHBondContact O-N 3.16Å; I158-S162 WeakPolarHBondContact O-CB 3.38Å; I158-S162 PolarHBondContact O-N 2.94Å; I158-S162 PolarHBondContact O-OG 3.04Å |
| 159 | L | 92.9 | Very high | 87.6 | Confident | 121 Ų | 121 | 95.8 Ų | 95.8 | 63% | 0.634 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.3 | -43.2 | 178.4 | -71.2 | 170.8 | 0 | 0 | 0 | 111.9 | Q155 T156 E157 S162 Q163 | Q155-L159 WeakPolarHBondContact O-CB 3.29Å; Q155-L159 VanDerWaalsContact O-CG 3.27Å; Q155-L159 WeakPolarHBondContact O-CG 3.04Å; Q155-L159 PolarHBondContact O-N 2.96Å; Q155-L159 VanDerWaalsContact O-N 3.07Å; T156-L159 PolarHBondContact O-N 2.88Å; E157-L159 PolarHBondContact O-N 3.27Å; L159-S162 PolarHBondContact O-N 2.9Å; L159-Q163 PolarHBondContact O-N 3.44Å |
| 160 | T | 91.6 | Very high | 86.1 | Confident | 71 Ų | 71 | 91.3 Ų | 91.3 | 44% | 0.436 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 175.4 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | T156 E157 S162 Q163 E164 | T156-T160 WeakPolarHBondContact O-CB 3.48Å; T156-T160 PolarHBondContact O-N 3.41Å; T156-T160 PolarHBondContact O-OG1 2.86Å; T156-T160 VanDerWaalsContact O-OG1 3.1Å; E157-T160 PolarHBondContact O-N 3.5Å; T160-S162 VanDerWaalsContact C-N 3.29Å; T160-S162 PolarHBondContact O-N 3.19Å; T160-Q163 WeakPolarHBondContact O-CB 3.11Å; T160-Q163 PolarHBondContact O-N 3.02Å; T160-Q163 VanDerWaalsContact O-N 3.09Å; T160-E164 HydrophobicContact CG2-CG 4.45Å; T160-E164 WeakPolarHBondContact O-CG 3.4Å; T160-E164 PolarHBondContact O-N 3.39Å |
| 161 | A | 90.3 | Very high | 84.6 | Confident | 43 Ų | 43 | 94 Ų | 94 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E157 Q163 E164 L165 | E157-A161 WeakPolarHBondContact O-CB 3.35Å; E157-A161 PolarHBondContact O-N 3.4Å; A161-Q163 VanDerWaalsContact C-N 3.34Å; A161-E164 PolarHBondContact O-N 3.44Å; A161-L165 WeakPolarHBondContact O-CB 3.37Å; A161-L165 VanDerWaalsContact O-CG 3.27Å; A161-L165 WeakPolarHBondContact O-CG 3.48Å; A161-L165 PolarHBondContact O-N 3.02Å |
| 162 | S | 89 | Confident | 82.8 | Confident | 68 Ų | 68 | 96.5 Ų | 96.5 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -36.5 | 175.3 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | I158 L159 T160 S166 | I158-S162 WeakPolarHBondContact O-CB 3.38Å; I158-S162 PolarHBondContact O-N 2.94Å; I158-S162 PolarHBondContact O-OG 3.04Å; L159-S162 PolarHBondContact O-N 2.9Å; T160-S162 VanDerWaalsContact C-N 3.29Å; T160-S162 PolarHBondContact O-N 3.19Å; S162-S166 PolarHBondContact O-N 3.28Å |
| 163 | Q | 88.4 | Confident | 81 | Confident | 108 Ų | 108 | 101.6 Ų | 101.6 | 51% | 0.505 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.7 | -50.1 | 174.3 | -177.5 | 178.7 | -17.5 | 0 | 0 | 111.1 | L159 T160 A161 L165 S166 E167 | L159-Q163 PolarHBondContact O-N 3.44Å; T160-Q163 WeakPolarHBondContact O-CB 3.11Å; T160-Q163 PolarHBondContact O-N 3.02Å; T160-Q163 VanDerWaalsContact O-N 3.09Å; A161-Q163 VanDerWaalsContact C-N 3.34Å; Q163-L165 VanDerWaalsContact C-N 3.31Å; Q163-L165 PolarHBondContact O-N 3.07Å; Q163-S166 WeakPolarHBondContact O-CA 3.48Å; Q163-S166 WeakPolarHBondContact O-CB 3.5Å; Q163-S166 PolarHBondContact O-N 3.35Å; Q163-S166 PolarHBondContact O-OG 3.37Å; Q163-E167 HydrophobicContact CG-CG 4.48Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.31Å; Q163-E167 PolarHBondContact NE2-OE1 3.01Å; Q163-E167 PolarHBondContact O-N 3.36Å |
| 164 | E | 87 | Confident | 79.3 | Confident | 104 Ų | 104 | 109 Ų | 109 | 49% | 0.486 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.4 | -41.6 | 178.9 | -71.4 | 177 | 176.7 | 0 | 0 | 112.1 | T160 A161 S166 E167 Q168 | T160-E164 HydrophobicContact CG2-CG 4.45Å; T160-E164 WeakPolarHBondContact O-CG 3.4Å; T160-E164 PolarHBondContact O-N 3.39Å; A161-E164 PolarHBondContact O-N 3.44Å; E164-S166 VanDerWaalsContact C-N 3.32Å; E164-S166 PolarHBondContact O-N 2.89Å; E164-E167 PolarHBondContact O-N 2.73Å; E164-Q168 WeakPolarHBondContact O-CG 3.37Å; E164-Q168 PolarHBondContact O-N 3.48Å |
| 165 | L | 82.5 | Confident | 77.2 | Confident | 99 Ų | 99 | 108.5 Ų | 108.5 | 52% | 0.518 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.4 | -34 | 174.3 | -72.9 | 171 | 0 | 0 | 0 | 113 | A161 Q163 Q169 | A161-L165 WeakPolarHBondContact O-CB 3.37Å; A161-L165 VanDerWaalsContact O-CG 3.27Å; A161-L165 WeakPolarHBondContact O-CG 3.48Å; A161-L165 PolarHBondContact O-N 3.02Å; Q163-L165 VanDerWaalsContact C-N 3.31Å; Q163-L165 PolarHBondContact O-N 3.07Å; L165-Q169 WeakPolarHBondContact O-CG 3.14Å; L165-Q169 PolarHBondContact O-N 2.68Å |
| 166 | S | 76.9 | Confident | 75 | Confident | 68 Ų | 68 | 107.4 Ų | 107.4 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -72.9 | -34.4 | 175.9 | 77.7 | 0 | 0 | 0 | 0 | 112.4 | S162 Q163 E164 S170 | S162-S166 PolarHBondContact O-N 3.28Å; Q163-S166 WeakPolarHBondContact O-CA 3.48Å; Q163-S166 WeakPolarHBondContact O-CB 3.5Å; Q163-S166 PolarHBondContact O-N 3.35Å; Q163-S166 PolarHBondContact O-OG 3.37Å; E164-S166 VanDerWaalsContact C-N 3.32Å; E164-S166 PolarHBondContact O-N 2.89Å; S166-S170 PolarHBondContact O-N 3.05Å |
| 167 | E | 78.2 | Confident | 73 | Confident | 90 Ų | 90 | 107.9 Ų | 107.9 | 42% | 0.421 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.3 | -48 | 175.8 | -71 | 173.9 | -175.5 | 0 | 0 | 110.2 | Q163 E164 Q169 S170 E171 | Q163-E167 HydrophobicContact CG-CG 4.48Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.31Å; Q163-E167 PolarHBondContact NE2-OE1 3.01Å; Q163-E167 PolarHBondContact O-N 3.36Å; E164-E167 PolarHBondContact O-N 2.73Å; E167-Q169 PolarHBondContact O-N 3.42Å; E167-S170 CarbonylContact O-C 3.6Å; E167-S170 WeakPolarHBondContact O-CA 3.47Å; E167-S170 WeakPolarHBondContact O-CB 3.43Å; E167-S170 PolarHBondContact O-N 2.99Å; E167-S170 PolarHBondContact O-OG 2.95Å; E167-E171 PolarHBondContact O-N 3.48Å |
| 168 | Q | 67.7 | Low | 71.1 | Confident | 109 Ų | 109 | 106.7 Ų | 106.7 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -57.9 | -44.8 | 175.8 | -74 | 175.3 | -2.1 | 0 | 0 | 112.9 | E164 S170 E171 D172 | E164-Q168 WeakPolarHBondContact O-CG 3.37Å; E164-Q168 PolarHBondContact O-N 3.48Å; Q168-S170 PolarHBondContact O-N 2.86Å; Q168-E171 PolarHBondContact O-N 3.08Å; Q168-E171 VanDerWaalsContact O-N 3.14Å; Q168-D172 PolarHBondContact O-N 3.04Å |
| 169 | Q | 62 | Low | 69 | Low | 136 Ų | 136 | 110.3 Ų | 110.3 | 64% | 0.636 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.5 | -26.6 | 174.7 | -75.3 | -177.9 | 40.8 | 0 | 0 | 113.5 | L165 E167 R173 | L165-Q169 WeakPolarHBondContact O-CG 3.14Å; L165-Q169 PolarHBondContact O-N 2.68Å; E167-Q169 PolarHBondContact O-N 3.42Å; Q169-R173 WeakPolarHBondContact O-CG 3.29Å |
| 170 | S | 61.3 | Low | 66.8 | Low | 70 Ų | 70 | 109.3 Ų | 109.3 | 49% | 0.49 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -79.6 | -33.4 | 175 | 85.2 | 0 | 0 | 0 | 0 | 112.5 | S166 E167 Q168 R174 | S166-S170 PolarHBondContact O-N 3.05Å; E167-S170 CarbonylContact O-C 3.6Å; E167-S170 WeakPolarHBondContact O-CA 3.47Å; E167-S170 WeakPolarHBondContact O-CB 3.43Å; E167-S170 PolarHBondContact O-N 2.99Å; E167-S170 PolarHBondContact O-OG 2.95Å; Q168-S170 PolarHBondContact O-N 2.86Å; S170-R174 WeakPolarHBondContact O-CB 3.36Å; S170-R174 PolarHBondContact O-N 3.32Å |
| 171 | E | 58.4 | Low | 64.7 | Low | 131 Ų | 131 | 113.9 Ų | 113.9 | 61% | 0.612 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.8 | -43.9 | 178.5 | -68.7 | -169.2 | 145.7 | 0 | 0 | 112.2 | E167 Q168 R173 R174 S175 | E167-E171 PolarHBondContact O-N 3.48Å; Q168-E171 PolarHBondContact O-N 3.08Å; Q168-E171 VanDerWaalsContact O-N 3.14Å; E171-R173 VanDerWaalsContact C-N 3.32Å; E171-R173 PolarHBondContact O-N 3.05Å; E171-R174 CarbonylContact O-C 3.59Å; E171-R174 WeakPolarHBondContact O-CA 3.39Å; E171-R174 PolarHBondContact O-N 3.28Å; E171-S175 PolarHBondContact O-N 3.23Å |
| 172 | D | 56.1 | Low | 62.4 | Low | 121 Ų | 121 | 116.5 Ų | 116.5 | 65% | 0.647 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -58.5 | -42.9 | 176.3 | -82.2 | -24.9 | 0 | 0 | 0 | 111.9 | Q168 R174 S176 | Q168-D172 PolarHBondContact O-N 3.04Å; D172-R174 VanDerWaalsContact C-N 3.26Å; D172-R174 PolarHBondContact O-N 2.76Å; D172-S176 PolarHBondContact O-N 3.07Å |
| 173 | R | 57.4 | Low | 60.4 | Low | 208 Ų | 208 | 120.1 Ų | 120.1 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.1 | -23.2 | 174.9 | -75.6 | -173.1 | 172.5 | -143.7 | -1.3 | 113.7 | Q169 E171 | Q169-R173 WeakPolarHBondContact O-CG 3.29Å; E171-R173 VanDerWaalsContact C-N 3.32Å; E171-R173 PolarHBondContact O-N 3.05Å |
| 174 | R | 56.5 | Low | 58.7 | Low | 207 Ų | 207 | 124.5 Ų | 124.5 | 78% | 0.781 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -88.5 | -32.9 | 179.9 | -165.3 | 170.3 | -173.4 | 143.1 | 0.8 | 111.9 | S170 E171 D172 | S170-R174 WeakPolarHBondContact O-CB 3.36Å; S170-R174 PolarHBondContact O-N 3.32Å; E171-R174 CarbonylContact O-C 3.59Å; E171-R174 WeakPolarHBondContact O-CA 3.39Å; E171-R174 PolarHBondContact O-N 3.28Å; D172-R174 VanDerWaalsContact C-N 3.26Å; D172-R174 PolarHBondContact O-N 2.76Å |
| 175 | S | 51.7 | Low | 56.5 | Low | 87 Ų | 87 | 124.4 Ų | 124.4 | 61% | 0.608 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.1 | -33.6 | 177.1 | -151.9 | 0 | 0 | 0 | 0 | 112.4 | E171 S177 V178 | E171-S175 PolarHBondContact O-N 3.23Å; S175-S177 PolarHBondContact O-N 3.32Å; S175-V178 WeakPolarHBondContact O-CG2 3.23Å |
| 176 | S | 48.5 | Very low | 54.5 | Low | 92 Ų | 92 | 127.7 Ų | 127.7 | 64% | 0.643 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -6.8 | 178.2 | 92.5 | 0 | 0 | 0 | 0 | 115 | D172 | D172-S176 PolarHBondContact O-N 3.07Š|
| 177 | S | 51.5 | Low | 52.9 | Low | 82 Ų | 82 | 131.1 Ų | 131.1 | 57% | 0.573 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -3.3 | -172.9 | -171.1 | 0 | 0 | 0 | 0 | 114.4 | S175 | S175-S177 PolarHBondContact O-N 3.32Š|
| 178 | V | 53.1 | Low | 51.5 | Low | 116 Ų | 116 | 133 Ų | 133 | 70% | 0.703 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -112.1 | -7.3 | -169.8 | -63.5 | 0 | 0 | 0 | 0 | 115.6 | S175 | S175-V178 WeakPolarHBondContact O-CG2 3.23Š|
| 179 | E | 48.2 | Very low | 50.4 | Low | 185 Ų | 185 | 135.9 Ų | 135.9 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -97 | -9.1 | -179.7 | -82.6 | -149 | 106.2 | 0 | 0 | 115.8 | ||
| 180 | S | 47.4 | Very low | 49.6 | Very low | 101 Ų | 101 | 139 Ų | 139 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -102.7 | 10.6 | -170.8 | -52.4 | 0 | 0 | 0 | 0 | 116 | ||
| 181 | L | 46.7 | Very low | 49 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 87% | 0.869 | 74% | 0.736 | S | S | * | * | trans | -122.6 | 60 | -174.7 | -64.2 | 178 | 0 | 0 | 0 | 112.8 | ||||
| 182 | S | 42.6 | Very low | 48.2 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | trans | -127.8 | 137 | 165.1 | -169.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 183 | N | 46.7 | Very low | 47.4 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 90.4 | 89 | 178.4 | -51.3 | -62.6 | 0 | 0 | 0 | 118.8 | ||
| 184 | K | 51.6 | Low | 46.7 | Very low | 199 Ų | 199 | 141.7 Ų | 141.7 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | trans | 85.6 | 153.5 | 130.3 | -82.8 | -170.5 | 169.6 | -178.4 | 0 | 119.7 | ||||
| 185 | P | 41.2 | Very low | 46.2 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | trans | -131.8 | -163.3 | -130.7 | 32.5 | -8.3 | 0 | 0 | 0 | 114 | ||||
| 186 | E | 40.9 | Very low | 45.9 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | 70.3 | 100.9 | 165.1 | -52.8 | -175.8 | 168 | 0 | 0 | 117.4 | ||||
| 187 | N | 44.3 | Very low | 46.2 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | -174.3 | 160.8 | 102.8 | -108 | -90.3 | 0 | 0 | 0 | 114.6 | |||||
| 188 | L | 47.4 | Very low | 46 | Very low | 128 Ų | 128 | 154.9 Ų | 154.9 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -47.9 | 142.9 | -178.6 | -69 | 71.2 | 0 | 0 | 0 | 115.8 | ||||
| 189 | H | 45.5 | Very low | 45.6 | Very low | 171 Ų | 171 | 155.8 Ų | 155.8 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | -173.6 | 148.2 | 87.7 | -112.3 | -85.1 | 0 | 0 | 0 | 114.1 | |||||
| 190 | K | 44.4 | Very low | 45.7 | Very low | 200 Ų | 200 | 155.2 Ų | 155.2 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | trans | -70.1 | 139 | 169.8 | -86.4 | 111.7 | 167.6 | 177.2 | 0 | 110.9 | ||||
| 191 | S | 49.4 | Very low | 45.8 | Very low | 115 Ų | 115 | 155.7 Ų | 155.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -144.6 | 125.5 | 139 | -169.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 192 | R | 40.7 | Very low | 45.6 | Very low | 244 Ų | 244 | 153.7 Ų | 153.7 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -88.8 | 129 | 169.6 | -82.3 | 171.9 | 158.7 | 178.2 | -6.6 | 107.9 | ||||
| 193 | C | 38.8 | Very low | 45.6 | Very low | 134 Ų | 134 | 153.8 Ų | 153.8 | 91% | 0.905 | 78% | 0.781 | S | S | * | * | trans | -134.5 | 130.2 | 151.2 | -95.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 194 | S | 43.2 | Very low | 45.6 | Very low | 95 Ų | 95 | 157.9 Ų | 157.9 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | -113.8 | 122.7 | -174.8 | 146.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 195 | H | 46.3 | Very low | 45.3 | Very low | 162 Ų | 162 | 155.4 Ų | 155.4 | 75% | 0.75 | 78% | 0.78 | S | S | * | * | trans | -128.2 | 124 | 160.9 | -100.5 | -59.9 | 0 | 0 | 0 | 111.8 | Y197 | H195-Y197 HydrophobicContact CB-CE1 3.94Å; H195-Y197 AromaticContact ND1-CE1 3.98Å | ||
| 196 | K | 44.6 | Very low | 45.4 | Very low | 189 Ų | 189 | 158.7 Ų | 158.7 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -103.2 | 125 | 177 | -69 | 178.7 | 176.5 | 179.1 | 0 | 110.1 | ||||
| 197 | Y | 56 | Low | 45.3 | Very low | 190 Ų | 190 | 161.7 Ų | 161.7 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | trans | -165.3 | 148.8 | 157.2 | 23.7 | -106.4 | 0 | 0 | 0 | 109.5 | H195 | H195-Y197 HydrophobicContact CB-CE1 3.94Å; H195-Y197 AromaticContact ND1-CE1 3.98Å | ||
| 198 | K | 46.8 | Very low | 45.3 | Very low | 204 Ų | 204 | 165.3 Ų | 165.3 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | cis | -156.5 | 140.4 | -34.3 | -176 | 167.9 | 176.7 | 177.2 | 0 | 105.8 | ||||
| 199 | T | 44.7 | Very low | 45.1 | Very low | 134 Ų | 134 | 163.7 Ų | 163.7 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -73.8 | 134.7 | -169 | 42.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 200 | Q | 49.9 | Very low | 45.1 | Very low | 174 Ų | 174 | 161.6 Ų | 161.6 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -165.4 | 151.7 | 148.3 | -85.8 | -133.6 | 57 | 0 | 0 | 108.3 | ||||
| 201 | N | 49.2 | Very low | 45 | Very low | 111 Ų | 111 | 156.6 Ų | 156.6 | 59% | 0.594 | 79% | 0.786 | S | S | * | * | cis | -165 | 112.2 | -18.9 | 179.6 | -5.9 | 0 | 0 | 0 | 109.5 | ||||
| 202 | P | 42.8 | Very low | 44.6 | Very low | 123 Ų | 123 | 157.9 Ų | 157.9 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -98.5 | 110.1 | -176.5 | 34.5 | -27.5 | 0 | 0 | 0 | 111.8 | ||||
| 203 | S | 43.2 | Very low | 44.7 | Very low | 101 Ų | 101 | 151.7 Ų | 151.7 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -160.1 | 143.7 | 176.4 | -84.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 204 | R | 45.8 | Very low | 45.1 | Very low | 230 Ų | 230 | 151 Ų | 151 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | 81.4 | 108.7 | 175.6 | -58.7 | -178.5 | -179 | -150.5 | -3.3 | 115.5 | ||||
| 205 | I | 46.2 | Very low | 45.1 | Very low | 147 Ų | 147 | 152 Ų | 152 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | 70.9 | 126.1 | 59.3 | -59 | 161.5 | 0 | 0 | 0 | 108.9 | |||||
| 206 | H | 42.8 | Very low | 44.9 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | cis | -146.2 | 150.2 | 34.9 | -146.1 | -78 | 0 | 0 | 0 | 112.6 | ||||
| 207 | R | 40.2 | Very low | 44.8 | Very low | 231 Ų | 231 | 145 Ų | 145 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | trans | -82.8 | 144.6 | 163.3 | -56.4 | 178.9 | -169.3 | -178.9 | 3.1 | 109.2 | ||||
| 208 | Y | 43.3 | Very low | 44.1 | Very low | 216 Ų | 216 | 141 Ų | 141 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | trans | -140.1 | 126 | 159 | -155.8 | -98 | 0 | 0 | 0 | 110.7 | ||||
| 209 | S | 44.2 | Very low | 43.8 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | trans | -95.5 | 152.1 | -179.4 | -62.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 210 | P | 44 | Very low | 43.6 | Very low | 127 Ų | 127 | 135.4 Ų | 135.4 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -82.9 | 140.7 | -176 | 32.9 | -34.7 | 0 | 0 | 0 | 112.7 | ||||
| 211 | S | 43.2 | Very low | 43.2 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 66% | 0.664 | 76% | 0.758 | S | S | * | * | trans | -158.7 | 144.3 | 163.8 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 212 | N | 40.6 | Very low | 42.8 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 71 | 91 | 150.5 | -58.4 | -17.1 | 0 | 0 | 0 | 122 | ||||
| 213 | S | 43.9 | Very low | 42.8 | Very low | 114 Ų | 114 | 132 Ų | 132 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | 70.6 | 155.2 | 108.6 | -60.5 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 214 | P | 46.9 | Very low | 43 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -120 | 163.2 | -151.3 | 41.8 | -30 | 0 | 0 | 0 | 116.3 | ||||
| 215 | S | 42.3 | Very low | 42.9 | Very low | 115 Ų | 115 | 128.9 Ų | 128.9 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -150.8 | 142.7 | 162.4 | -57.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 216 | S | 43.2 | Very low | 42.7 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | 0.1 | 149.6 | 144.1 | 60.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 217 | S | 41.3 | Very low | 42.6 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | cis | -174.5 | 152.4 | 24 | 8.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 218 | S | 40.8 | Very low | 42.8 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 59.7 | 109.9 | 132.5 | -51.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 219 | S | 41.3 | Very low | 42.8 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | 105.1 | 136.7 | 118 | -64 | 0 | 0 | 0 | 0 | 122 | |||||
| 220 | S | 41.3 | Very low | 42.9 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | 76.4 | 142.4 | 154.3 | -61.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 221 | S | 40.1 | Very low | 43.1 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | cis | -174.3 | 177.2 | -19.3 | -106.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 222 | T | 42.1 | Very low | 42.9 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | 78.5 | 145.4 | 168.7 | 79.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 223 | T | 42.5 | Very low | 43 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | cis | -165.7 | 165.3 | -30.1 | 29.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 224 | T | 47.5 | Very low | 43.2 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 75.1 | 146 | 165.8 | 86.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 225 | T | 44 | Very low | 42.7 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | cis | -136.2 | 155.3 | -1.7 | 39.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 226 | R | 40.3 | Very low | 42.7 | Very low | 228 Ų | 228 | 143 Ų | 143 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -73.3 | 147.3 | 172.7 | -65.7 | 160 | 121.2 | 176.5 | -0.2 | 112.6 | ||||
| 227 | R | 41.4 | Very low | 42.8 | Very low | 253 Ų | 253 | 147.3 Ų | 147.3 | 96% | 0.955 | 80% | 0.799 | S | S | * | * | trans | -150.4 | 132.6 | 134.8 | -120.4 | 173.4 | -174.4 | 158.5 | 2.7 | 111.6 | ||||
| 228 | N | 45.6 | Very low | 42.8 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | trans | -77.4 | 151.5 | -176.2 | -55.5 | -24.4 | 0 | 0 | 0 | 110.9 | ||||
| 229 | N | 43.6 | Very low | 43 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | -151.6 | 128.2 | 112.1 | -136.6 | -5.1 | 0 | 0 | 0 | 111.5 | |||||
| 230 | E | 45.2 | Very low | 43.3 | Very low | 167 Ų | 167 | 150.2 Ų | 150.2 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | -87.9 | 144.9 | 174.7 | -58 | -175.3 | 119.2 | 0 | 0 | 109.8 | ||||
| 231 | T | 48.8 | Very low | 43.6 | Very low | 136 Ų | 136 | 154.1 Ų | 154.1 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -165.2 | 139 | 130.4 | 8.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 232 | C | 39.4 | Very low | 43.8 | Very low | 105 Ų | 105 | 156.3 Ų | 156.3 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | trans | 42 | 97.9 | 157.3 | -69.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 233 | R | 42.8 | Very low | 44 | Very low | 221 Ų | 221 | 155.7 Ų | 155.7 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | 82.1 | 102.9 | 67.9 | -73.3 | 175.4 | 179.6 | -172.8 | 2.1 | 114.9 | |||||
| 234 | K | 46.4 | Very low | 44 | Very low | 189 Ų | 189 | 157.7 Ų | 157.7 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | 52.9 | 100.6 | 128.1 | -56.7 | -179 | -179.2 | -175.5 | 0 | 118.6 | |||||
| 235 | T | 38 | Very low | 43.8 | Very low | 146 Ų | 146 | 159.5 Ų | 159.5 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | -146.7 | 101.3 | 119.1 | 48.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 236 | S | 40.4 | Very low | 43.6 | Very low | 126 Ų | 126 | 161.8 Ų | 161.8 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | trans | -80.1 | 119.9 | 168 | -52.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 237 | K | 45.4 | Very low | 43.8 | Very low | 197 Ų | 197 | 155.7 Ų | 155.7 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -136.8 | 87.7 | 157.8 | -160.6 | 162.5 | -173.8 | 174.7 | 0 | 111 | T239 | K237-T239 PolarHBondContact O-N 3.38Š| ||
| 238 | S | 42.6 | Very low | 44.1 | Very low | 102 Ų | 102 | 147.9 Ų | 147.9 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -64.8 | 123.4 | 170.1 | 173 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 239 | T | 45.2 | Very low | 44 | Very low | 135 Ų | 135 | 150.7 Ų | 150.7 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | trans | -144.5 | 63.7 | 141.1 | 45.8 | 0 | 0 | 0 | 0 | 108.3 | K237 K241 | K237-T239 PolarHBondContact O-N 3.38Å; T239-K241 PolarHBondContact O-N 2.98Å | ||
| 240 | L | 46.4 | Very low | 43.9 | Very low | 137 Ų | 137 | 154.6 Ų | 154.6 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | trans | -83.1 | 100.7 | 175.5 | -159 | 79 | 0 | 0 | 0 | 109 | ||||
| 241 | K | 47.9 | Very low | 44 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -110.8 | 80.5 | 169 | -76.3 | -167.9 | 175 | -172.2 | 0 | 109.7 | T239 T243 | T239-K241 PolarHBondContact O-N 2.98Å; K241-T243 PolarHBondContact O-N 3.25Å | ||
| 242 | H | 44.2 | Very low | 43.9 | Very low | 141 Ų | 141 | 155 Ų | 155 | 65% | 0.653 | 79% | 0.789 | S | S | * | * | trans | -82.3 | 100.7 | 164.7 | -75 | -66.5 | 0 | 0 | 0 | 109.4 | H244 | H242-H244 PolarHBondContact O-N 3.44Š| ||
| 243 | T | 47.3 | Very low | 44.2 | Very low | 114 Ų | 114 | 159 Ų | 159 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -86.5 | 98.2 | 164.5 | 47.4 | 0 | 0 | 0 | 0 | 109 | K241 H245 | K241-T243 PolarHBondContact O-N 3.25Å; T243-H245 PolarHBondContact O-N 3.22Å | ||
| 244 | H | 42.5 | Very low | 44.1 | Very low | 156 Ų | 156 | 158.8 Ų | 158.8 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -71.3 | 112.3 | 166.8 | -81.2 | -95.5 | 0 | 0 | 0 | 109.5 | H242 | H242-H244 PolarHBondContact O-N 3.44Š| ||
| 245 | H | 42.2 | Very low | 44.3 | Very low | 170 Ų | 170 | 158.5 Ų | 158.5 | 79% | 0.787 | 80% | 0.795 | S | S | * | * | trans | -109.3 | 100.1 | 163.6 | -82.8 | -72.4 | 0 | 0 | 0 | 109.9 | T243 | T243-H245 PolarHBondContact O-N 3.22Š| ||
| 246 | H | 39.3 | Very low | 44.5 | Very low | 180 Ų | 180 | 155 Ų | 155 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | trans | -81.9 | 117.4 | 157.4 | -84 | -92.2 | 0 | 0 | 0 | 108.6 | ||||
| 247 | S | 44.9 | Very low | 44.7 | Very low | 101 Ų | 101 | 154.5 Ų | 154.5 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -163.9 | 86.1 | 170.6 | 179.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 248 | S | 47.8 | Very low | 44.7 | Very low | 89 Ų | 89 | 150.8 Ų | 150.8 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | 75.4 | 92.3 | 94.2 | 73.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 249 | K | 43.8 | Very low | 44.5 | Very low | 192 Ų | 192 | 151.5 Ų | 151.5 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | 62 | 88.9 | 119.2 | -159.2 | -177.6 | -167.5 | -179.9 | 0 | 116.7 | |||||
| 250 | W | 41.6 | Very low | 44.4 | Very low | 247 Ų | 247 | 151 Ų | 151 | 94% | 0.936 | 78% | 0.777 | S | S | * | * | trans | -127.6 | 142.9 | 154.6 | -78.3 | 89.3 | 0 | 0 | 0 | 110.7 | ||||
| 251 | N | 47.9 | Very low | 44.1 | Very low | 142 Ų | 142 | 149.4 Ų | 149.4 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -75.4 | 129.7 | -166.8 | -67.7 | -36.6 | 0 | 0 | 0 | 112.7 | K253 | N251-K253 PolarHBondContact O-N 3.48Š| ||
| 252 | D | 46.3 | Very low | 44.2 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -71.2 | 114.4 | 153.9 | -104.3 | -50.4 | 0 | 0 | 0 | 109.3 | R254 | D252-R254 PolarHBondContact O-N 2.87Š| ||
| 253 | K | 45.7 | Very low | 44.3 | Very low | 189 Ų | 189 | 146.5 Ų | 146.5 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | -86.7 | 98.8 | -177.2 | -167.7 | 162.8 | -176.3 | 174.9 | 0 | 109.7 | N251 Q255 | N251-K253 PolarHBondContact O-N 3.48Å; K253-Q255 PolarHBondContact O-N 3.29Å | ||
| 254 | R | 39.7 | Very low | 44.1 | Very low | 216 Ų | 216 | 148.1 Ų | 148.1 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | trans | -42.1 | 124.7 | 165.7 | -75.8 | -179.1 | 166.9 | -148.1 | -0.6 | 110.7 | D252 | D252-R254 PolarHBondContact O-N 2.87Š| ||
| 255 | Q | 51.1 | Low | 44 | Very low | 183 Ų | 183 | 151.3 Ų | 151.3 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -106.6 | 118 | 148.3 | -78.5 | -71.1 | 8 | 0 | 0 | 106.5 | K253 | K253-Q255 PolarHBondContact O-N 3.29Š| ||
| 256 | S | 42.6 | Very low | 44 | Very low | 73 Ų | 73 | 149 Ų | 149 | 51% | 0.51 | 78% | 0.78 | S | S | . | * | trans | -114.7 | 127.4 | -175.9 | -67 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 257 | S | 45.4 | Very low | 44 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | 73.2 | 164.3 | 151.3 | -52.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 258 | P | 45.3 | Very low | 43.9 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | cis | -123.9 | 164.3 | 1.3 | 37.6 | -21.9 | 0 | 0 | 0 | 116.2 | ||||
| 259 | S | 36.8 | Very low | 44 | Very low | 117 Ų | 117 | 150.7 Ų | 150.7 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -59.6 | 143.3 | 164.7 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 260 | S | 44.6 | Very low | 44 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | trans | -135.4 | 129.5 | 152.6 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 261 | S | 39.9 | Very low | 44.4 | Very low | 103 Ų | 103 | 146.6 Ų | 146.6 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | -120.2 | 118.3 | -175 | 139.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 262 | S | 48.8 | Very low | 44.3 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -166.2 | 111.9 | 152.8 | -116.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 263 | K | 46.9 | Very low | 44.3 | Very low | 162 Ų | 162 | 144.5 Ų | 144.5 | 70% | 0.704 | 76% | 0.763 | S | S | * | * | 81.6 | 115.4 | 65.3 | -85 | -174.6 | 172.9 | 177.1 | 0 | 114.6 | |||||
| 264 | H | 43 | Very low | 44.2 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | 82.3 | 116.1 | 160.6 | -50 | -49.7 | 0 | 0 | 0 | 117 | ||||
| 265 | R | 41.5 | Very low | 44.4 | Very low | 223 Ų | 223 | 140 Ų | 140 | 84% | 0.842 | 75% | 0.753 | S | S | * | * | 73.3 | 136.5 | 96.6 | -72.5 | -165.7 | 166.9 | -168.3 | -2.7 | 112.8 | |||||
| 266 | T | 40.6 | Very low | 44.3 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | cis | -169.3 | 159.9 | 8.5 | 11 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 267 | S | 39.9 | Very low | 44.6 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | 76.3 | 118.8 | 147.6 | -153.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 268 | S | 44 | Very low | 44.2 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | 44.9 | 121.6 | 128.9 | -35.7 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 269 | K | 48.3 | Very low | 44.5 | Very low | 205 Ų | 205 | 144.8 Ų | 144.8 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | -165.6 | 159.4 | 69.2 | -94.1 | 174.8 | 172.9 | 173.7 | 0 | 112.9 | |||||
| 270 | E | 43.5 | Very low | 45 | Very low | 180 Ų | 180 | 144.6 Ų | 144.6 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | trans | -61.5 | 157.2 | 164 | -59.7 | 166.7 | 93.2 | 0 | 0 | 112.8 | ||||
| 271 | M | 50.6 | Low | 45.4 | Very low | 172 Ų | 172 | 145.9 Ų | 145.9 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | 166.2 | 104.4 | 136.8 | -85.3 | -87.7 | 151.9 | 0 | 0 | 107.1 | ||||
| 272 | N | 45.8 | Very low | 45.7 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | 89.5 | 95.1 | 75.1 | -178.1 | 73.9 | 0 | 0 | 0 | 114.4 | |||||
| 273 | K | 46.7 | Very low | 46.3 | Very low | 163 Ų | 163 | 150.6 Ų | 150.6 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | trans | 68.3 | 142 | 138.4 | -70 | 178.4 | -163.1 | 134.4 | 0 | 122.3 | ||||
| 274 | R | 44 | Very low | 46.3 | Very low | 225 Ų | 225 | 148.6 Ų | 148.6 | 85% | 0.849 | 75% | 0.75 | S | S | * | * | trans | 72.6 | 149.6 | 147.3 | -73.3 | 162.2 | -179.4 | -115.3 | 0.7 | 115.9 | ||||
| 275 | S | 44.2 | Very low | 46.5 | Very low | 84 Ų | 84 | 147.5 Ų | 147.5 | 59% | 0.587 | 75% | 0.749 | S | S | * | * | cis | -174.6 | 167.1 | -10.6 | 44.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 276 | H | 47.2 | Very low | 46.7 | Very low | 154 Ų | 154 | 144 Ų | 144 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | 68.4 | 138.8 | 173.3 | -62.2 | -76 | 0 | 0 | 0 | 114.3 | ||||
| 277 | H | 48.9 | Very low | 47.1 | Very low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | cis | -140.2 | 145.6 | 49.8 | -91.5 | -97 | 0 | 0 | 0 | 115.1 | ||||
| 278 | D | 38.4 | Very low | 47.9 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | -67.4 | 140.1 | 152.5 | -72.8 | -79.5 | 0 | 0 | 0 | 110.2 | ||||
| 279 | S | 50.5 | Low | 48.2 | Very low | 111 Ų | 111 | 149.4 Ų | 149.4 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -151.2 | 134.4 | 131.5 | -164.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 280 | V | 46.8 | Very low | 48.2 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | trans | -71.2 | 151.4 | 169.2 | -70.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 281 | D | 53.4 | Low | 48.5 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | -147.4 | 130.1 | 146.5 | -95 | -45.9 | 0 | 0 | 0 | 109.3 | ||||
| 282 | I | 46.3 | Very low | 48.3 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | trans | -106.7 | 126.1 | -178.2 | -65.4 | 171 | 0 | 0 | 0 | 106.9 | ||||
| 283 | H | 61.6 | Low | 48.4 | Very low | 181 Ų | 181 | 143.3 Ų | 143.3 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | trans | -125.1 | 105.9 | 166.6 | -85.8 | -71.8 | 0 | 0 | 0 | 109.9 | ||||
| 284 | D | 48 | Very low | 48.8 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 65% | 0.647 | 75% | 0.754 | S | S | * | * | trans | -71.3 | 153.2 | 169 | -97.6 | -72.9 | 0 | 0 | 0 | 111.8 | ||||
| 285 | N | 46.1 | Very low | 49.3 | Very low | 125 Ų | 125 | 143 Ų | 143 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | trans | 31.4 | 133.8 | 152.6 | -45.5 | -57.4 | 0 | 0 | 0 | 118.7 | ||||
| 286 | D | 47 | Very low | 49.5 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | -170.5 | 170.5 | 65.1 | -104.6 | -55.9 | 0 | 0 | 0 | 113.6 | |||||
| 287 | E | 47.5 | Very low | 50.1 | Low | 165 Ų | 165 | 148.1 Ų | 148.1 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | trans | 89.6 | 135.3 | 141.1 | -109.2 | -171 | 116 | 0 | 0 | 125.1 | ||||
| 288 | V | 57.3 | Low | 50.5 | Low | 115 Ų | 115 | 148.8 Ų | 148.8 | 70% | 0.697 | 77% | 0.77 | S | S | * | * | trans | 55.9 | 102.9 | 153.1 | -82 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 289 | D | 51.1 | Low | 51.4 | Low | 156 Ų | 156 | 149.9 Ų | 149.9 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | 101.6 | 139.8 | 111.4 | -139.3 | -3.7 | 0 | 0 | 0 | 120.8 | |||||
| 290 | S | 47.2 | Very low | 51.9 | Low | 98 Ų | 98 | 153.9 Ų | 153.9 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -91.1 | 166.1 | 179.2 | -65.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 291 | P | 50.4 | Low | 52.8 | Low | 116 Ų | 116 | 158.4 Ų | 158.4 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | -153.6 | 134.2 | 101.1 | 33.6 | -13.6 | 0 | 0 | 0 | 117.9 | |||||
| 292 | L | 46.9 | Very low | 53 | Low | 149 Ų | 149 | 159.1 Ų | 159.1 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | 57.9 | 107 | 127.1 | -56.6 | 174.4 | 0 | 0 | 0 | 121.9 | |||||
| 293 | H | 46.3 | Very low | 53.4 | Low | 173 Ų | 173 | 157.7 Ų | 157.7 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | 62.3 | 106.2 | 112.3 | -125.1 | -102.7 | 0 | 0 | 0 | 119.6 | |||||
| 294 | K | 55.3 | Low | 53.7 | Low | 194 Ų | 194 | 158.3 Ų | 158.3 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -149.3 | 92.1 | 158.1 | -104.4 | 144.7 | -166.5 | 169.1 | 0 | 115.4 | ||||
| 295 | K | 54.2 | Low | 54.1 | Low | 186 Ų | 186 | 161.1 Ų | 161.1 | 81% | 0.809 | 79% | 0.793 | S | S | * | * | trans | 57.7 | 95.4 | 134.7 | -58.8 | 177.3 | -178.6 | -179.6 | 0 | 119.3 | ||||
| 296 | L | 48.5 | Very low | 55 | Low | 167 Ų | 167 | 164.7 Ų | 164.7 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -74.1 | 125 | 150.4 | -84.1 | 92 | 0 | 0 | 0 | 111 | ||||
| 297 | K | 59.7 | Low | 55.6 | Low | 179 Ų | 179 | 166 Ų | 166 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | trans | -99.5 | 107.1 | 162.6 | -85.2 | -175.2 | 172.6 | -179.6 | 0 | 110.2 | H299 | K297-H299 PolarHBondContact O-N 3.12Š| ||
| 298 | K | 58 | Low | 56.6 | Low | 200 Ų | 200 | 168.1 Ų | 168.1 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | trans | -72.8 | 118.7 | 170.5 | -68.9 | 178.2 | 177.1 | 177.3 | 0 | 109.7 | ||||
| 299 | H | 58.2 | Low | 57 | Low | 164 Ų | 164 | 171.3 Ų | 171.3 | 76% | 0.759 | 82% | 0.817 | S | S | * | * | trans | -106.9 | 110.8 | 170.8 | -83.2 | -80.8 | 0 | 0 | 0 | 111.6 | K297 K301 | K297-H299 PolarHBondContact O-N 3.12Å; H299-K301 PolarHBondContact O-N 2.62Å | ||
| 300 | K | 59.9 | Low | 57.6 | Low | 195 Ų | 195 | 173 Ų | 173 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | trans | -75.2 | 111.3 | 177.3 | -171.5 | 170.6 | -177.3 | 173.3 | 0 | 109.5 | ||||
| 301 | K | 65 | Low | 58.3 | Low | 208 Ų | 208 | 173.9 Ų | 173.9 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 131.8 | 173.3 | -80.9 | -177.3 | 176.7 | 174.8 | 0 | 110.5 | H299 | H299-K301 PolarHBondContact O-N 2.62Š|
| 302 | H | 59.3 | Low | 59 | Low | 167 Ų | 167 | 177.1 Ų | 177.1 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 132 | -177.9 | -72.5 | -108.1 | 0 | 0 | 0 | 111.6 | ||
| 303 | S | 54.3 | Low | 59.7 | Low | 105 Ų | 105 | 183.4 Ų | 183.4 | 73% | 0.734 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 134.8 | 163.8 | -178.8 | 0 | 0 | 0 | 0 | 110 | ||
| 304 | K | 67.6 | Low | 60.3 | Low | 194 Ų | 194 | 183.9 Ų | 183.9 | 84% | 0.843 | 85% | 0.848 | S | S | * | * | trans | -125.2 | 100.6 | 167.6 | -79.9 | -171.1 | 174.9 | -178.7 | 0 | 109.1 | ||||
| 305 | H | 56.2 | Low | 60.6 | Low | 179 Ų | 179 | 183.4 Ų | 183.4 | 83% | 0.829 | 85% | 0.849 | S | S | * | * | trans | -56.1 | 140.2 | 162.2 | -91.4 | -99.2 | 0 | 0 | 0 | 110.2 | ||||
| 306 | K | 65.4 | Low | 61 | Low | 201 Ų | 201 | 183.2 Ų | 183.2 | 87% | 0.874 | 85% | 0.851 | S | S | * | * | trans | -130.9 | 138.9 | 157.9 | -94.4 | -165.4 | 171 | -171.9 | 0 | 110.5 | ||||
| 307 | H | 60.6 | Low | 61.7 | Low | 176 Ų | 176 | 184.2 Ų | 184.2 | 82% | 0.815 | 85% | 0.85 | S | S | * | * | trans | -64.8 | 144.1 | -173.9 | -76.7 | -113.8 | 0 | 0 | 0 | 112.7 | ||||
| 308 | K | 67.6 | Low | 61.8 | Low | 209 Ų | 209 | 184.5 Ų | 184.5 | 91% | 0.909 | 85% | 0.854 | S | S | * | * | trans | -101.6 | 100.2 | 164.6 | -152.9 | 173.5 | -170.4 | 177.2 | 0 | 107.5 | K310 | K308-K310 PolarHBondContact O-N 3.34Š| ||
| 309 | H | 65.7 | Low | 62.1 | Low | 181 Ų | 181 | 183.5 Ų | 183.5 | 84% | 0.838 | 85% | 0.853 | S | S | * | * | trans | -67.4 | 130.7 | 171.7 | -89.1 | -96.4 | 0 | 0 | 0 | 109.6 | ||||
| 310 | K | 64.1 | Low | 62.3 | Low | 193 Ų | 193 | 184.9 Ų | 184.9 | 84% | 0.839 | 86% | 0.86 | S | S | * | * | trans | -106.7 | 97.1 | 178.5 | -169.2 | 174.1 | -173.3 | 174.9 | 0 | 107.3 | K308 | K308-K310 PolarHBondContact O-N 3.34Š| ||
| 311 | S | 62.2 | Low | 62.5 | Low | 116 Ų | 116 | 184.1 Ų | 184.1 | 81% | 0.811 | 86% | 0.861 | S | S | * | * | trans | -69.9 | 133.3 | 171.8 | -155.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 312 | K | 65.3 | Low | 62.3 | Low | 183 Ų | 183 | 182.1 Ų | 182.1 | 80% | 0.796 | 86% | 0.857 | S | S | * | * | trans | -114.7 | 149.8 | 169.6 | -91.7 | -175.8 | 170.2 | -176.5 | 0 | 107.5 | ||||
| 313 | K | 60 | Low | 62.6 | Low | 281 Ų | 281 | 183.5 Ų | 183.5 | 100% | 1.222 | 87% | 0.865 | S | S | * | * | trans | 70.6 | 0 | -168.8 | -65.3 | -175.8 | 171.1 | -176.9 | 0 | 113.2 |
Retrieved 313 of 313 residues in 201.2 ms
(Link to these results)