| 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 | 66.5 | Low | 83.8 | Confident | 195 Ų | 195 | 121.5 Ų | 121.5 | 96% | 0.961 | 62% | 0.617 | S | S | * | * | 0 | -47.2 | 0 | -84.5 | -164.5 | 170.3 | 0 | 0 | 112.7 | I3 L4 D5 | M1-I3 PolarHBondContact O-N 3.37Å; M1-L4 WeakPolarHBondContact O-CB 3.13Å; M1-L4 PolarHBondContact O-N 2.77Å; M1-L4 VanDerWaalsContact O-N 3.1Å; M1-D5 PolarHBondContact O-N 3.43Å | |||
| 2 | T | 83.1 | Confident | 83.9 | Confident | 117 Ų | 117 | 114.7 Ų | 114.7 | 72% | 0.718 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -53.6 | -43.8 | -178.3 | 49.7 | 0 | 0 | 0 | 0 | 115.4 | L4 D5 E6 | T2-L4 PolarHBondContact O-N 2.94Å; T2-D5 PolarHBondContact O-N 3.3Å; T2-E6 WeakPolarHBondContact O-CB 3.34Å; T2-E6 PolarHBondContact O-N 2.82Å |
| 3 | I | 81.2 | Confident | 84.1 | Confident | 135 Ų | 135 | 112.5 Ų | 112.5 | 69% | 0.692 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.9 | -38 | 178.7 | -61.5 | 170.9 | 0 | 0 | 0 | 111.8 | M1 E6 C7 | M1-I3 PolarHBondContact O-N 3.37Å; I3-E6 PolarHBondContact O-N 2.92Å; I3-C7 VanDerWaalsContact O-CB 3.27Å; I3-C7 WeakPolarHBondContact O-CB 3.38Å; I3-C7 PolarHBondContact O-N 3.29Å |
| 4 | L | 82.7 | Confident | 83.9 | Confident | 114 Ų | 114 | 111.5 Ų | 111.5 | 60% | 0.597 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.8 | -42.8 | 178.2 | -103.6 | 150.5 | 0 | 0 | 0 | 111 | M1 T2 C7 H8 | M1-L4 WeakPolarHBondContact O-CB 3.13Å; M1-L4 PolarHBondContact O-N 2.77Å; M1-L4 VanDerWaalsContact O-N 3.1Å; T2-L4 PolarHBondContact O-N 2.94Å; L4-C7 PolarHBondContact O-N 3.29Å; L4-H8 WeakPolarHBondContact O-CB 3.35Å; L4-H8 PolarHBondContact O-N 2.9Å |
| 5 | D | 86.4 | Confident | 83.8 | Confident | 94 Ų | 94 | 112.9 Ų | 112.9 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.6 | -40.2 | 174.9 | -74.9 | -21.3 | 0 | 0 | 0 | 112.1 | M1 T2 H8 K9 | M1-D5 PolarHBondContact O-N 3.43Å; T2-D5 PolarHBondContact O-N 3.3Å; D5-H8 PolarHBondContact O-N 2.93Å; D5-K9 WeakPolarHBondContact O-CB 3.34Å; D5-K9 WeakPolarHBondContact O-CG 3.47Å; D5-K9 PolarHBondContact O-N 3.28Å |
| 6 | E | 88.5 | Confident | 83.6 | Confident | 103 Ų | 103 | 114.3 Ų | 114.3 | 48% | 0.481 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.5 | -39.5 | 175.9 | -160.6 | -170.7 | 147.6 | 0 | 0 | 111.3 | T2 I3 K9 K10 | T2-E6 WeakPolarHBondContact O-CB 3.34Å; T2-E6 PolarHBondContact O-N 2.82Å; I3-E6 PolarHBondContact O-N 2.92Å; E6-K9 PolarHBondContact O-N 3.18Å; E6-K10 WeakPolarHBondContact O-CB 3.31Å; E6-K10 WeakPolarHBondContact O-CG 3.49Å; E6-K10 PolarHBondContact O-N 2.93Å; E6-K10 WeakPolarHBondContact OE1-CE 3.12Å; E6-K10 IonicContact OE1-NZ 2.86Å; E6-K10 PolarHBondContact OE1-NZ 3.44Å |
| 7 | C | 84.1 | Confident | 83.4 | Confident | 78 Ų | 78 | 114.5 Ų | 114.5 | 53% | 0.527 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.4 | -42.3 | 175.1 | -156.5 | 0 | 0 | 0 | 0 | 111.3 | I3 L4 K10 L11 | I3-C7 VanDerWaalsContact O-CB 3.27Å; I3-C7 WeakPolarHBondContact O-CB 3.38Å; I3-C7 PolarHBondContact O-N 3.29Å; L4-C7 PolarHBondContact O-N 3.29Å; C7-K10 PolarHBondContact O-N 3.5Å; C7-L11 WeakPolarHBondContact O-CB 3.35Å; C7-L11 PolarHBondContact O-N 3.37Å |
| 8 | H | 86.3 | Confident | 83 | Confident | 121 Ų | 121 | 113.2 Ų | 113.2 | 56% | 0.56 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.8 | -41.9 | 173.8 | -83.8 | 8.6 | 0 | 0 | 0 | 112.8 | L4 D5 L11 A12 | L4-H8 WeakPolarHBondContact O-CB 3.35Å; L4-H8 PolarHBondContact O-N 2.9Å; D5-H8 PolarHBondContact O-N 2.93Å; H8-L11 PolarHBondContact O-N 2.93Å; H8-A12 WeakPolarHBondContact O-CB 3.42Å; H8-A12 PolarHBondContact O-N 3.02Å |
| 9 | K | 87.6 | Confident | 82.8 | Confident | 147 Ų | 147 | 110.3 Ų | 110.3 | 64% | 0.639 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.2 | -47.1 | 172.9 | -77.5 | 178.5 | -178.9 | 176.9 | 0 | 111.4 | D5 E6 L11 A12 D13 | D5-K9 WeakPolarHBondContact O-CB 3.34Å; D5-K9 WeakPolarHBondContact O-CG 3.47Å; D5-K9 PolarHBondContact O-N 3.28Å; E6-K9 PolarHBondContact O-N 3.18Å; K9-L11 VanDerWaalsContact C-N 3.33Å; K9-L11 PolarHBondContact O-N 3.07Å; K9-A12 PolarHBondContact O-N 3.5Å; K9-D13 WeakPolarHBondContact O-CB 3.25Å; K9-D13 PolarHBondContact O-N 3.35Å |
| 10 | K | 88.4 | Confident | 82.5 | Confident | 119 Ų | 119 | 110.8 Ų | 110.8 | 52% | 0.517 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.7 | -41.9 | 175.7 | -78.1 | 175.4 | 173.7 | 160.1 | 0 | 112 | E6 C7 L14 | E6-K10 WeakPolarHBondContact O-CB 3.31Å; E6-K10 WeakPolarHBondContact O-CG 3.49Å; E6-K10 PolarHBondContact O-N 2.93Å; E6-K10 WeakPolarHBondContact OE1-CE 3.12Å; E6-K10 IonicContact OE1-NZ 2.86Å; E6-K10 PolarHBondContact OE1-NZ 3.44Å; C7-K10 PolarHBondContact O-N 3.5Å; K10-L14 VanDerWaalsContact O-CB 3.31Å; K10-L14 WeakPolarHBondContact O-CB 3.46Å; K10-L14 VanDerWaalsContact O-CG 3.26Å; K10-L14 WeakPolarHBondContact O-CG 3.46Å; K10-L14 PolarHBondContact O-N 2.87Å |
| 11 | L | 87.7 | Confident | 82.1 | Confident | 113 Ų | 113 | 109.3 Ų | 109.3 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.9 | -43.3 | 176.7 | -161.3 | 86.2 | 0 | 0 | 0 | 111.7 | C7 H8 K9 L14 Q15 | C7-L11 WeakPolarHBondContact O-CB 3.35Å; C7-L11 PolarHBondContact O-N 3.37Å; H8-L11 PolarHBondContact O-N 2.93Å; K9-L11 VanDerWaalsContact C-N 3.33Å; K9-L11 PolarHBondContact O-N 3.07Å; L11-L14 PolarHBondContact O-N 3.4Å; L11-Q15 WeakPolarHBondContact O-CB 3.49Å; L11-Q15 PolarHBondContact O-N 3.47Å |
| 12 | A | 85 | Confident | 82.5 | Confident | 40 Ų | 40 | 102.5 Ų | 102.5 | 33% | 0.331 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | H8 K9 Q15 K16 | H8-A12 WeakPolarHBondContact O-CB 3.42Å; H8-A12 PolarHBondContact O-N 3.02Å; K9-A12 PolarHBondContact O-N 3.5Å; A12-Q15 PolarHBondContact O-N 3.09Å; A12-K16 WeakPolarHBondContact O-CG 3.49Å; A12-K16 PolarHBondContact O-N 2.89Å |
| 13 | D | 85.9 | Confident | 82.1 | Confident | 87 Ų | 87 | 105.5 Ų | 105.5 | 47% | 0.465 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 175.3 | -73.5 | -20.2 | 0 | 0 | 0 | 111.3 | K9 K16 Q17 | K9-D13 WeakPolarHBondContact O-CB 3.25Å; K9-D13 PolarHBondContact O-N 3.35Å; D13-K16 PolarHBondContact O-N 3.17Å; D13-Q17 WeakPolarHBondContact O-CB 3.21Å; D13-Q17 WeakPolarHBondContact O-CG 3.27Å; D13-Q17 PolarHBondContact O-N 2.94Å |
| 14 | L | 81.9 | Confident | 81.8 | Confident | 98 Ų | 98 | 102.3 Ų | 102.3 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 170.9 | -78.7 | 169.2 | 0 | 0 | 0 | 111.4 | K10 L11 K16 Q17 V18 | K10-L14 VanDerWaalsContact O-CB 3.31Å; K10-L14 WeakPolarHBondContact O-CB 3.46Å; K10-L14 VanDerWaalsContact O-CG 3.26Å; K10-L14 WeakPolarHBondContact O-CG 3.46Å; K10-L14 PolarHBondContact O-N 2.87Å; L11-L14 PolarHBondContact O-N 3.4Å; L14-K16 PolarHBondContact O-N 3.16Å; L14-Q17 PolarHBondContact O-N 3.3Å; L14-V18 WeakPolarHBondContact O-CB 3.44Å; L14-V18 VanDerWaalsContact O-CG2 3.29Å; L14-V18 WeakPolarHBondContact O-CG2 3.43Å; L14-V18 PolarHBondContact O-N 3.38Å |
| 15 | Q | 82 | Confident | 81.3 | Confident | 133 Ų | 133 | 99 Ų | 99 | 62% | 0.621 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.8 | -40.7 | 176.9 | -170.7 | 179.9 | 1.1 | 0 | 0 | 111.7 | L11 A12 V18 T19 | L11-Q15 WeakPolarHBondContact O-CB 3.49Å; L11-Q15 PolarHBondContact O-N 3.47Å; A12-Q15 PolarHBondContact O-N 3.09Å; Q15-V18 PolarHBondContact O-N 3.18Å; Q15-T19 WeakPolarHBondContact O-CB 3.34Å; Q15-T19 VanDerWaalsContact O-CG2 3.26Å; Q15-T19 WeakPolarHBondContact O-CG2 3.34Å; Q15-T19 PolarHBondContact O-N 2.92Å; Q15-T19 PolarHBondContact O-OG1 2.89Å |
| 16 | K | 81.3 | Confident | 80.6 | Confident | 134 Ų | 134 | 98.1 Ų | 98.1 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.7 | -43.7 | 172.7 | -75.8 | 176.2 | -175.3 | 172 | 0 | 111.8 | A12 D13 L14 T19 Q20 | A12-K16 WeakPolarHBondContact O-CG 3.49Å; A12-K16 PolarHBondContact O-N 2.89Å; D13-K16 PolarHBondContact O-N 3.17Å; L14-K16 PolarHBondContact O-N 3.16Å; K16-T19 WeakPolarHBondContact CA-OG1 3.49Å; K16-T19 PolarHBondContact O-N 3.43Å; K16-T19 PolarHBondContact O-OG1 3.36Å; K16-Q20 VanDerWaalsContact O-CB 3.26Å; K16-Q20 WeakPolarHBondContact O-CB 3.49Å; K16-Q20 PolarHBondContact O-N 3.18Å |
| 17 | Q | 80 | Confident | 79.9 | Confident | 118 Ų | 118 | 96 Ų | 96 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.4 | -43.2 | 176.8 | -74.7 | -179.3 | 1 | 0 | 0 | 111.9 | D13 L14 Q20 T21 | D13-Q17 WeakPolarHBondContact O-CB 3.21Å; D13-Q17 WeakPolarHBondContact O-CG 3.27Å; D13-Q17 PolarHBondContact O-N 2.94Å; L14-Q17 PolarHBondContact O-N 3.3Å; Q17-Q20 PolarHBondContact O-N 2.92Å; Q17-T21 WeakPolarHBondContact O-CB 3.4Å; Q17-T21 VanDerWaalsContact O-CG2 3.27Å; Q17-T21 WeakPolarHBondContact O-CG2 3.49Å; Q17-T21 PolarHBondContact O-N 3.05Å; Q17-T21 PolarHBondContact O-OG1 3.02Å |
| 18 | V | 76 | Confident | 79.2 | Confident | 92 Ų | 92 | 96.2 Ų | 96.2 | 56% | 0.558 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65.5 | -40.4 | 176.7 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | L14 Q15 T21 S22 | L14-V18 WeakPolarHBondContact O-CB 3.44Å; L14-V18 VanDerWaalsContact O-CG2 3.29Å; L14-V18 WeakPolarHBondContact O-CG2 3.43Å; L14-V18 PolarHBondContact O-N 3.38Å; Q15-V18 PolarHBondContact O-N 3.18Å; V18-T21 VanDerWaalsContact CA-OG1 3.29Å; V18-T21 WeakPolarHBondContact CA-OG1 3.41Å; V18-T21 PolarHBondContact O-OG1 3Å; V18-S22 VanDerWaalsContact O-CB 3.29Å; V18-S22 WeakPolarHBondContact O-CB 3.45Å; V18-S22 PolarHBondContact O-N 3.29Å; V18-S22 PolarHBondContact O-OG 3.1Å |
| 19 | T | 78.1 | Confident | 78.1 | Confident | 58 Ų | 58 | 90.6 Ų | 90.6 | 36% | 0.356 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.1 | -37.1 | 176.7 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | Q15 K16 S22 R23 | Q15-T19 WeakPolarHBondContact O-CB 3.34Å; Q15-T19 VanDerWaalsContact O-CG2 3.26Å; Q15-T19 WeakPolarHBondContact O-CG2 3.34Å; Q15-T19 PolarHBondContact O-N 2.92Å; Q15-T19 PolarHBondContact O-OG1 2.89Å; K16-T19 WeakPolarHBondContact CA-OG1 3.49Å; K16-T19 PolarHBondContact O-N 3.43Å; K16-T19 PolarHBondContact O-OG1 3.36Å; T19-S22 VanDerWaalsContact CA-OG 3.32Å; T19-S22 WeakPolarHBondContact CA-OG 3.38Å; T19-S22 PolarHBondContact O-OG 3.21Å; T19-R23 WeakPolarHBondContact O-CB 3.44Å; T19-R23 VanDerWaalsContact O-CG 3.27Å; T19-R23 WeakPolarHBondContact O-CG 3.43Å; T19-R23 PolarHBondContact O-N 3.16Å |
| 20 | Q | 78.1 | Confident | 77.1 | Confident | 119 Ų | 119 | 87.9 Ų | 87.9 | 56% | 0.556 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -70.4 | -43.1 | 175.6 | -171.4 | 173.5 | 4.9 | 0 | 0 | 111.8 | K16 Q17 R23 N24 | K16-Q20 VanDerWaalsContact O-CB 3.26Å; K16-Q20 WeakPolarHBondContact O-CB 3.49Å; K16-Q20 PolarHBondContact O-N 3.18Å; Q17-Q20 PolarHBondContact O-N 2.92Å; Q20-R23 PolarHBondContact O-N 3.39Å; Q20-N24 WeakPolarHBondContact O-CB 3.49Å; Q20-N24 PolarHBondContact O-N 3.29Å; Q20-N24 PolarHBondContact O-ND2 3.03Å |
| 21 | T | 74 | Confident | 75.9 | Confident | 80 Ų | 80 | 87 Ų | 87 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 175.8 | 49.2 | 0 | 0 | 0 | 0 | 111.6 | Q17 V18 N24 V25 | Q17-T21 WeakPolarHBondContact O-CB 3.4Å; Q17-T21 VanDerWaalsContact O-CG2 3.27Å; Q17-T21 WeakPolarHBondContact O-CG2 3.49Å; Q17-T21 PolarHBondContact O-N 3.05Å; Q17-T21 PolarHBondContact O-OG1 3.02Å; V18-T21 VanDerWaalsContact CA-OG1 3.29Å; V18-T21 WeakPolarHBondContact CA-OG1 3.41Å; V18-T21 PolarHBondContact O-OG1 3Å; T21-N24 PolarHBondContact O-N 2.98Å; T21-V25 WeakPolarHBondContact O-CG2 3.26Å; T21-V25 PolarHBondContact O-N 3.12Å |
| 22 | S | 73.8 | Confident | 74.7 | Confident | 52 Ų | 52 | 82.1 Ų | 82.1 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 174.4 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | V18 T19 N24 V25 I26 | V18-S22 VanDerWaalsContact O-CB 3.29Å; V18-S22 WeakPolarHBondContact O-CB 3.45Å; V18-S22 PolarHBondContact O-N 3.29Å; V18-S22 PolarHBondContact O-OG 3.1Å; T19-S22 VanDerWaalsContact CA-OG 3.32Å; T19-S22 WeakPolarHBondContact CA-OG 3.38Å; T19-S22 PolarHBondContact O-OG 3.21Å; S22-N24 VanDerWaalsContact C-N 3.34Å; S22-N24 PolarHBondContact O-N 3.32Å; S22-V25 PolarHBondContact O-N 3.36Å; S22-I26 VanDerWaalsContact O-CG1 3.26Å; S22-I26 WeakPolarHBondContact O-CG1 3.43Å; S22-I26 PolarHBondContact O-N 3.19Å |
| 23 | R | 74.9 | Confident | 73.6 | Confident | 180 Ų | 180 | 85.8 Ų | 85.8 | 68% | 0.679 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -60.1 | -41.9 | 172.6 | -77.6 | 176.4 | -178.9 | 160.6 | 1.3 | 112.3 | T19 Q20 I26 S27 | T19-R23 WeakPolarHBondContact O-CB 3.44Å; T19-R23 VanDerWaalsContact O-CG 3.27Å; T19-R23 WeakPolarHBondContact O-CG 3.43Å; T19-R23 PolarHBondContact O-N 3.16Å; Q20-R23 PolarHBondContact O-N 3.39Å; R23-I26 PolarHBondContact O-N 3.44Å; R23-S27 WeakPolarHBondContact O-CB 3.36Å; R23-S27 PolarHBondContact O-N 3.36Å; R23-S27 PolarHBondContact O-OG 3.44Å |
| 24 | N | 76.2 | Confident | 72.3 | Confident | 68 Ų | 68 | 90.1 Ų | 90.1 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 176.8 | -72.1 | -17.2 | 0 | 0 | 0 | 112.5 | Q20 T21 S22 S27 R28 | Q20-N24 WeakPolarHBondContact O-CB 3.49Å; Q20-N24 PolarHBondContact O-N 3.29Å; Q20-N24 PolarHBondContact O-ND2 3.03Å; T21-N24 PolarHBondContact O-N 2.98Å; S22-N24 VanDerWaalsContact C-N 3.34Å; S22-N24 PolarHBondContact O-N 3.32Å; N24-S27 WeakPolarHBondContact CA-OG 3.42Å; N24-S27 PolarHBondContact O-OG 3Å; N24-S27 VanDerWaalsContact O-OG 3.1Å; N24-R28 VanDerWaalsContact O-CB 3.3Å; N24-R28 WeakPolarHBondContact O-CB 3.49Å; N24-R28 VanDerWaalsContact O-CG 3.28Å; N24-R28 WeakPolarHBondContact O-CG 3.28Å; N24-R28 PolarHBondContact O-N 3.13Å |
| 25 | V | 72.4 | Confident | 71.1 | Confident | 44 Ų | 44 | 86.9 Ų | 86.9 | 27% | 0.267 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 173.7 | 166.7 | 0 | 0 | 0 | 0 | 110.3 | T21 S22 R28 T29 V482 | T21-V25 WeakPolarHBondContact O-CG2 3.26Å; T21-V25 PolarHBondContact O-N 3.12Å; S22-V25 PolarHBondContact O-N 3.36Å; V25-R28 PolarHBondContact O-N 2.95Å; V25-T29 HydrophobicContact CG1-CG2 4.5Å; V25-T29 WeakPolarHBondContact O-CB 3.41Å; V25-T29 VanDerWaalsContact O-CG2 3.26Å; V25-T29 WeakPolarHBondContact O-CG2 3.42Å; V25-T29 PolarHBondContact O-N 3.44Å; V25-T29 PolarHBondContact O-OG1 3.29Å; V25-V482 HydrophobicContact CB-CG2 4.24Å; V25-V482 HydrophobicContact CG1-CG2 3.87Å; V25-V482 HydrophobicContact CG2-CG2 4.29Å |
| 26 | I | 71.5 | Confident | 69.8 | Low | 77 Ų | 77 | 81.2 Ų | 81.2 | 40% | 0.395 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 178.8 | -66.6 | 164.3 | 0 | 0 | 0 | 111.1 | S22 R23 R28 T29 Q30 | S22-I26 VanDerWaalsContact O-CG1 3.26Å; S22-I26 WeakPolarHBondContact O-CG1 3.43Å; S22-I26 PolarHBondContact O-N 3.19Å; R23-I26 PolarHBondContact O-N 3.44Å; I26-R28 VanDerWaalsContact C-N 3.33Å; I26-R28 PolarHBondContact O-N 3.46Å; I26-T29 WeakPolarHBondContact CA-OG1 3.5Å; I26-T29 PolarHBondContact O-N 3.12Å; I26-T29 PolarHBondContact O-OG1 3.28Å; I26-Q30 HydrophobicContact CG2-CG 4.43Å; I26-Q30 WeakPolarHBondContact O-CB 3.29Å; I26-Q30 VanDerWaalsContact O-CG 3.28Å; I26-Q30 WeakPolarHBondContact O-CG 3.43Å; I26-Q30 PolarHBondContact O-N 3.14Å |
| 27 | S | 72.5 | Confident | 68.3 | Low | 57 Ų | 57 | 79.5 Ų | 79.5 | 40% | 0.399 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | -180 | 67 | 0 | 0 | 0 | 0 | 112 | R23 N24 Q30 K31 | R23-S27 WeakPolarHBondContact O-CB 3.36Å; R23-S27 PolarHBondContact O-N 3.36Å; R23-S27 PolarHBondContact O-OG 3.44Å; N24-S27 WeakPolarHBondContact CA-OG 3.42Å; N24-S27 PolarHBondContact O-OG 3Å; N24-S27 VanDerWaalsContact O-OG 3.1Å; S27-Q30 PolarHBondContact O-N 2.89Å; S27-K31 WeakPolarHBondContact O-CB 3.34Å; S27-K31 PolarHBondContact O-N 3.47Å |
| 28 | R | 69 | Low | 67.1 | Low | 83 Ų | 83 | 76.6 Ų | 76.6 | 31% | 0.313 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.4 | -44.7 | 175.5 | -77.6 | -175 | 171.5 | 120.9 | -1.3 | 113.2 | N24 V25 I26 Q30 K31 W32 V482 | N24-R28 VanDerWaalsContact O-CB 3.3Å; N24-R28 WeakPolarHBondContact O-CB 3.49Å; N24-R28 VanDerWaalsContact O-CG 3.28Å; N24-R28 WeakPolarHBondContact O-CG 3.28Å; N24-R28 PolarHBondContact O-N 3.13Å; V25-R28 PolarHBondContact O-N 2.95Å; I26-R28 VanDerWaalsContact C-N 3.33Å; I26-R28 PolarHBondContact O-N 3.46Å; R28-Q30 VanDerWaalsContact C-N 3.28Å; R28-Q30 PolarHBondContact O-N 2.78Å; R28-K31 WeakPolarHBondContact O-CB 3.45Å; R28-K31 PolarHBondContact O-N 3.38Å; R28-K31 VanDerWaalsContact O-N 3.17Å; R28-W32 PolarHBondContact O-N 3.49Å; R28-V482 HydrophobicContact CB-CG2 4.22Å |
| 29 | T | 63.2 | Low | 65.9 | Low | 4 Ų | 4 | 77.5 Ų | 77.5 | 3% | 0.025 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 175.4 | 52.2 | 0 | 0 | 0 | 0 | 111.3 | V25 I26 W32 R33 R478 Q481 V482 | V25-T29 HydrophobicContact CG1-CG2 4.5Å; V25-T29 WeakPolarHBondContact O-CB 3.41Å; V25-T29 VanDerWaalsContact O-CG2 3.26Å; V25-T29 WeakPolarHBondContact O-CG2 3.42Å; V25-T29 PolarHBondContact O-N 3.44Å; V25-T29 PolarHBondContact O-OG1 3.29Å; I26-T29 WeakPolarHBondContact CA-OG1 3.5Å; I26-T29 PolarHBondContact O-N 3.12Å; I26-T29 PolarHBondContact O-OG1 3.28Å; T29-W32 PolarHBondContact O-N 2.91Å; T29-R33 WeakPolarHBondContact O-CG 3.32Å; T29-R33 PolarHBondContact O-N 3.49Å; T29-R33 VanDerWaalsContact O-N 3.08Å; T29-R478 HydrophobicContact CG2-CB 4.19Å; T29-R478 HydrophobicContact CG2-CG 4.32Å; T29-Q481 HydrophobicContact CG2-CB 3.99Å; T29-V482 HydrophobicContact CG2-CG2 3.86Å |
| 30 | Q | 66.6 | Low | 64.8 | Low | 90 Ų | 90 | 76.9 Ų | 76.9 | 42% | 0.421 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 172.2 | -73.9 | 177.2 | -11.6 | 0 | 0 | 112.2 | I26 S27 R28 W32 R33 R34 | I26-Q30 HydrophobicContact CG2-CG 4.43Å; I26-Q30 WeakPolarHBondContact O-CB 3.29Å; I26-Q30 VanDerWaalsContact O-CG 3.28Å; I26-Q30 WeakPolarHBondContact O-CG 3.43Å; I26-Q30 PolarHBondContact O-N 3.14Å; S27-Q30 PolarHBondContact O-N 2.89Å; R28-Q30 VanDerWaalsContact C-N 3.28Å; R28-Q30 PolarHBondContact O-N 2.78Å; Q30-W32 PolarHBondContact O-N 2.68Å; Q30-R33 PolarHBondContact O-N 3.49Å; Q30-R34 WeakPolarHBondContact O-CG 3.27Å; Q30-R34 PolarHBondContact O-N 3.3Å |
| 31 | K | 64.6 | Low | 63.9 | Low | 101 Ų | 101 | 74.2 Ų | 74.2 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.2 | -47.5 | 175.5 | -172.5 | -179.4 | 178.3 | -176.5 | 0 | 111.2 | S27 R28 R33 R34 L35 E489 | S27-K31 WeakPolarHBondContact O-CB 3.34Å; S27-K31 PolarHBondContact O-N 3.47Å; R28-K31 WeakPolarHBondContact O-CB 3.45Å; R28-K31 PolarHBondContact O-N 3.38Å; R28-K31 VanDerWaalsContact O-N 3.17Å; K31-R33 VanDerWaalsContact C-N 3.34Å; K31-R33 PolarHBondContact O-N 3.01Å; K31-R34 PolarHBondContact O-N 3.42Å; K31-L35 HydrophobicContact CG-CD1 4.17Å; K31-L35 WeakPolarHBondContact O-CD1 3.49Å; K31-L35 WeakPolarHBondContact O-CG 3.36Å; K31-L35 PolarHBondContact O-N 3.16Å; K31-E489 IonicContact NZ-OE1 3.92Å; K31-E489 PolarHBondContact NZ-OE1 3.42Å |
| 32 | W | 62.6 | Low | 63.8 | Low | 9 Ų | 9 | 76.9 Ų | 76.9 | 3% | 0.034 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.9 | -43 | 175.7 | -170.9 | -102.6 | 0 | 0 | 0 | 112.7 | R28 T29 Q30 L35 L484 Y488 I586 | R28-W32 PolarHBondContact O-N 3.49Å; T29-W32 PolarHBondContact O-N 2.91Å; Q30-W32 PolarHBondContact O-N 2.68Å; W32-L35 HydrophobicContact CE3-CD1 4.48Å; W32-L35 PolarHBondContact O-N 2.89Å; W32-L484 HydrophobicContact CH2-CB 3.77Å; W32-L484 HydrophobicContact CZ2-CB 3.72Å; W32-L484 HydrophobicContact CZ2-CD1 4.15Å; W32-L484 HydrophobicContact CZ2-CG 4.47Å; W32-L484 HydrophobicContact CZ3-CB 4.25Å; W32-Y488 HydrophobicContact CZ3-CD2 4.44Å; W32-Y488 HydrophobicContact CZ3-CG 4.02Å; W32-I586 HydrophobicContact CD2-CD1 4.27Å; W32-I586 HydrophobicContact CE3-CD1 3.8Å; W32-I586 HydrophobicContact CH2-CD1 3.06Å; W32-I586 HydrophobicContact CZ2-CD1 3.55Å; W32-I586 HydrophobicContact CZ3-CD1 3.18Å |
| 33 | R | 61.4 | Low | 64.4 | Low | 117 Ų | 117 | 75.3 Ų | 75.3 | 44% | 0.442 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 175.3 | -71.3 | -176.3 | -152 | -175 | 4.3 | 112.6 | T29 Q30 K31 L35 S36 | T29-R33 WeakPolarHBondContact O-CG 3.32Å; T29-R33 PolarHBondContact O-N 3.49Å; T29-R33 VanDerWaalsContact O-N 3.08Å; Q30-R33 PolarHBondContact O-N 3.49Å; K31-R33 VanDerWaalsContact C-N 3.34Å; K31-R33 PolarHBondContact O-N 3.01Å; R33-L35 VanDerWaalsContact C-N 3.33Å; R33-L35 PolarHBondContact O-N 3.27Å; R33-S36 PolarHBondContact O-N 3.41Å; R33-S36 VanDerWaalsContact O-N 3.14Å; R33-S36 PolarHBondContact O-OG 3.33Å |
| 34 | R | 58 | Low | 65.2 | Low | 178 Ų | 178 | 67.5 Ų | 67.5 | 67% | 0.672 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -64.4 | -37.4 | 179.1 | -71 | 179.7 | -167.3 | 172.4 | 4.5 | 112.3 | Q30 K31 S36 T37 | Q30-R34 WeakPolarHBondContact O-CG 3.27Å; Q30-R34 PolarHBondContact O-N 3.3Å; K31-R34 PolarHBondContact O-N 3.42Å; R34-S36 PolarHBondContact O-N 3.36Å; R34-S36 VanDerWaalsContact O-N 3.16Å; R34-T37 WeakPolarHBondContact O-CG2 3.41Å; R34-T37 PolarHBondContact O-OG1 3.2Å |
| 35 | L | 57.2 | Low | 66.1 | Low | 31 Ų | 31 | 64.3 Ų | 64.3 | 16% | 0.162 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.7 | -19.7 | 175.6 | -69.2 | 159.2 | 0 | 0 | 0 | 112.6 | K31 W32 R33 T584 R585 I586 | K31-L35 HydrophobicContact CG-CD1 4.17Å; K31-L35 WeakPolarHBondContact O-CD1 3.49Å; K31-L35 WeakPolarHBondContact O-CG 3.36Å; K31-L35 PolarHBondContact O-N 3.16Å; W32-L35 HydrophobicContact CE3-CD1 4.48Å; W32-L35 PolarHBondContact O-N 2.89Å; R33-L35 VanDerWaalsContact C-N 3.33Å; R33-L35 PolarHBondContact O-N 3.27Å; L35-T584 WeakPolarHBondContact CD2-O 3.44Å; L35-R585 WeakPolarHBondContact O-CA 3.22Å; L35-I586 PolarHBondContact O-N 3.02Å |
| 36 | S | 55.7 | Low | 67.1 | Low | 14 Ų | 14 | 62.2 Ų | 62.2 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 18.1 | -175.3 | 67.6 | 0 | 0 | 0 | 0 | 116.4 | R33 R34 V38 I586 R591 | R33-S36 PolarHBondContact O-N 3.41Å; R33-S36 VanDerWaalsContact O-N 3.14Å; R33-S36 PolarHBondContact O-OG 3.33Å; R34-S36 PolarHBondContact O-N 3.36Å; R34-S36 VanDerWaalsContact O-N 3.16Å; S36-V38 PolarHBondContact O-N 3.04Å; S36-I586 VanDerWaalsContact CA-O 3.31Å; S36-I586 WeakPolarHBondContact CA-O 3.26Å; S36-R591 PolarHBondContact OG-NH1 2.81Å; S36-R591 VanDerWaalsContact OG-NH1 3.08Å |
| 37 | T | 49 | Very low | 68.1 | Low | 98 Ų | 98 | 58.8 Ų | 58.8 | 60% | 0.601 | 30% | 0.302 | S | S | * | . | trans | -91.7 | 14.6 | -168.8 | 50.6 | 0 | 0 | 0 | 0 | 115.6 | R34 | R34-T37 WeakPolarHBondContact O-CG2 3.41Å; R34-T37 PolarHBondContact O-OG1 3.2Å | ||
| 38 | V | 53.9 | Low | 69.1 | Low | 56 Ų | 56 | 56.1 Ų | 56.1 | 34% | 0.339 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -62.5 | 127.1 | 171.6 | -176.9 | 0 | 0 | 0 | 0 | 108 | S36 S40 R585 | S36-V38 PolarHBondContact O-N 3.04Å; V38-S40 PolarHBondContact O-N 3.13Å; V38-S40 VanDerWaalsContact O-N 3.16Å; V38-R585 HydrophobicContact CG2-CB 4.03Å |
| 39 | P | 51.1 | Low | 70.3 | Confident | 112 Ų | 112 | 52.2 Ų | 52.2 | 73% | 0.727 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 123.9 | 172.7 | 21.8 | -29.8 | 0 | 0 | 0 | 107.9 | T41 | P39-T41 PolarHBondContact O-N 3.25Š|
| 40 | S | 54.9 | Low | 71.6 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 31% | 0.308 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -56 | 125 | 169.8 | 44.8 | 0 | 0 | 0 | 0 | 107.2 | V38 D42 | V38-S40 PolarHBondContact O-N 3.13Å; V38-S40 VanDerWaalsContact O-N 3.16Å; S40-D42 PolarHBondContact O-N 3.41Å |
| 41 | T | 59.1 | Low | 72.6 | Confident | 64 Ų | 64 | 56.4 Ų | 56.4 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 136.1 | 154.2 | 48.5 | 0 | 0 | 0 | 0 | 107.2 | P39 C43 | P39-T41 PolarHBondContact O-N 3.25Å; T41-C43 VanDerWaalsContact O-CB 3.23Å; T41-C43 WeakPolarHBondContact O-CB 3.45Å; T41-C43 PolarHBondContact O-N 2.95Å |
| 42 | D | 72.6 | Confident | 73.4 | Confident | 136 Ų | 136 | 59.4 Ų | 59.4 | 73% | 0.727 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -48.9 | 106.8 | 175.1 | -79.8 | -28.7 | 0 | 0 | 0 | 108.6 | S40 | S40-D42 PolarHBondContact O-N 3.41Š|
| 43 | C | 86.7 | Confident | 74.6 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 12% | 0.122 | 31% | 0.311 | C | S | . | . | trans | -146.3 | 129.4 | -170.8 | 177.6 | 0 | 0 | 0 | 0 | 107.7 | T41 V45 Y88 L89 | T41-C43 VanDerWaalsContact O-CB 3.23Å; T41-C43 WeakPolarHBondContact O-CB 3.45Å; T41-C43 PolarHBondContact O-N 2.95Å; C43-V45 PolarHBondContact SG-O 3.48Å; C43-V45 VanDerWaalsContact SG-O 3.35Å; C43-Y88 HydrophobicContact CB-CD1 4.11Å; C43-Y88 VanDerWaalsContact SG-CB 3.57Å; C43-L89 PolarHBondContact SG-N 3.44Å; C43-L89 VanDerWaalsContact SG-N 3.44Å | ||
| 44 | D | 91.7 | Very high | 75.8 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 9% | 0.091 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -96.4 | -42 | -177.4 | -60.4 | -68.7 | 0 | 0 | 0 | 110.8 | L89 T90 R143 V147 P189 L190 | D44-L89 PolarHBondContact N-O 3Å; D44-T90 WeakPolarHBondContact OD2-CB 3.25Å; D44-T90 PolarHBondContact OD2-OG1 3.1Å; D44-R143 IonicContact OD1-CZ 3.42Å; D44-R143 IonicContact OD1-NE 2.6Å; D44-R143 PolarHBondContact OD1-NE 3.22Å; D44-R143 IonicContact OD1-NH2 3.28Å; D44-R143 IonicContact OD2-NE 3.23Å; D44-R143 IonicContact OD2-NH2 2.95Å; D44-V147 HydrophobicContact CB-CG2 4.19Å; D44-P189 VanDerWaalsContact O-CA 3.27Å; D44-P189 WeakPolarHBondContact O-CA 3.3Å; D44-L190 PolarHBondContact O-N 2.67Å |
| 45 | V | 94.2 | Very high | 77.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 138.3 | -172.9 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | C43 L89 S144 V147 L151 I187 F652 | C43-V45 PolarHBondContact SG-O 3.48Å; C43-V45 VanDerWaalsContact SG-O 3.35Å; V45-L89 HydrophobicContact CB-CB 4.39Å; V45-L89 PolarHBondContact N-O 3.43Å; V45-L89 VanDerWaalsContact N-O 3.09Å; V45-L89 WeakPolarHBondContact O-CB 2.94Å; V45-L89 PolarHBondContact O-N 3.44Å; V45-S144 WeakPolarHBondContact CG2-O 3.41Å; V45-V147 HydrophobicContact CB-CB 4.5Å; V45-V147 HydrophobicContact CB-CG1 3.79Å; V45-V147 HydrophobicContact CG2-CB 3.85Å; V45-V147 HydrophobicContact CG2-CG1 3.69Å; V45-L151 HydrophobicContact CG1-CD1 4.19Å; V45-I187 HydrophobicContact CG1-CG2 3.68Å; V45-F652 HydrophobicContact CG1-CE1 4.39Å; V45-F652 HydrophobicContact CG1-CZ 3.99Å; V45-F652 HydrophobicContact CG2-CE1 3.86Å; V45-F652 HydrophobicContact CG2-CZ 4.3Å |
| 46 | V | 92.9 | Very high | 78.8 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.4 | 176 | -177.5 | 0 | 0 | 0 | 0 | 110.5 | I48 A86 L87 Y88 I187 F188 L190 A589 | V46-I48 HydrophobicContact CG1-CD1 4.49Å; V46-I48 HydrophobicContact CG1-CG1 3.99Å; V46-A86 HydrophobicContact CG1-CB 4.36Å; V46-L87 WeakPolarHBondContact CA-O 3.23Å; V46-Y88 HydrophobicContact CG2-CD1 4.03Å; V46-Y88 HydrophobicContact CG2-CE1 4.22Å; V46-I187 WeakPolarHBondContact O-CA 3.47Å; V46-F188 HydrophobicContact CB-CE2 4.36Å; V46-F188 HydrophobicContact CB-CZ 4.18Å; V46-F188 HydrophobicContact CG1-CZ 4.32Å; V46-F188 PolarHBondContact N-O 3.11Å; V46-F188 PolarHBondContact O-N 3.4Å; V46-F188 VanDerWaalsContact O-N 3.17Å; V46-L190 HydrophobicContact CG2-CD1 4.39Å; V46-A589 HydrophobicContact CG1-CB 4.2Å; V46-A589 HydrophobicContact CG2-CB 3.9Å |
| 47 | V | 94 | Very high | 80.4 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 4% | 0.036 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 124.6 | 172.6 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | F49 A86 L87 L89 L151 I184 I187 | V47-F49 HydrophobicContact CG1-CE1 4.44Å; V47-F49 HydrophobicContact CG1-CZ 4.3Å; V47-A86 CarbonylContact O-C 3.6Å; V47-A86 WeakPolarHBondContact O-CA 3.34Å; V47-L87 HydrophobicContact CB-CB 4.24Å; V47-L87 PolarHBondContact N-O 3.05Å; V47-L87 PolarHBondContact O-N 3.36Å; V47-L89 HydrophobicContact CG2-CD1 3.61Å; V47-L151 HydrophobicContact CG2-CD1 4.18Å; V47-I184 HydrophobicContact CG1-CD1 4.32Å; V47-I184 HydrophobicContact CG1-CG1 4.3Å; V47-I184 HydrophobicContact CG1-CG2 3.83Å; V47-I187 HydrophobicContact CG1-CG1 4.28Å; V47-I187 HydrophobicContact CG2-CD1 4.44Å; V47-I187 HydrophobicContact CG2-CG1 4.17Å; V47-I187 HydrophobicContact CG2-CG2 4.2Å |
| 48 | I | 92.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.3 | 178.9 | -61 | -172.1 | 0 | 0 | 0 | 110 | V46 Q84 A86 L185 Q186 F188 A593 | V46-I48 HydrophobicContact CG1-CD1 4.49Å; V46-I48 HydrophobicContact CG1-CG1 3.99Å; I48-Q84 HydrophobicContact CG2-CB 4.23Å; I48-Q84 VanDerWaalsContact CG2-OE1 3.23Å; I48-A86 HydrophobicContact CG1-CB 4.35Å; I48-L185 PolarHBondContact O-N 3.4Å; I48-Q186 HydrophobicContact CB-CG 4.02Å; I48-Q186 HydrophobicContact CD1-CG 4.44Å; I48-Q186 HydrophobicContact CG1-CG 4.49Å; I48-Q186 PolarHBondContact N-O 2.87Å; I48-Q186 PolarHBondContact O-N 3.31Å; I48-F188 HydrophobicContact CD1-CE1 3.63Å; I48-F188 HydrophobicContact CD1-CZ 4.02Å; I48-F188 HydrophobicContact CG1-CE1 4.13Å; I48-A593 HydrophobicContact CD1-CB 3.25Å |
| 49 | F | 93.9 | Very high | 84.2 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 166 | 178.4 | -62.5 | -76.6 | 0 | 0 | 0 | 113 | V47 L53 V58 L61 Y85 L87 I183 I184 L185 | V47-F49 HydrophobicContact CG1-CE1 4.44Å; V47-F49 HydrophobicContact CG1-CZ 4.3Å; F49-L53 HydrophobicContact CB-CD2 3.73Å; F49-L53 HydrophobicContact CD1-CD2 3.78Å; F49-L53 HydrophobicContact CG-CD2 3.83Å; F49-V58 HydrophobicContact CD2-CG1 4.37Å; F49-V58 HydrophobicContact CD2-CG2 3.84Å; F49-V58 HydrophobicContact CE2-CB 4.33Å; F49-V58 HydrophobicContact CE2-CG1 3.7Å; F49-V58 HydrophobicContact CE2-CG2 3.86Å; F49-V58 HydrophobicContact CG-CG2 4.27Å; F49-V58 HydrophobicContact CZ-CG1 4.24Å; F49-V58 HydrophobicContact CZ-CG2 4.32Å; F49-L61 HydrophobicContact CE1-CD2 3.85Å; F49-L61 HydrophobicContact CZ-CD2 3.88Å; F49-Y85 WeakPolarHBondContact CD2-O 3.38Å; F49-Y85 PolarHBondContact N-O 3.33Å; F49-Y85 VanDerWaalsContact N-O 3.08Å; F49-L87 HydrophobicContact CE2-CD1 4.02Å; F49-L87 HydrophobicContact CE2-CD2 4.17Å; F49-L87 HydrophobicContact CE2-CG 3.67Å; F49-L87 HydrophobicContact CZ-CD1 3.8Å; F49-L87 HydrophobicContact CZ-CG 4Å; F49-I183 WeakPolarHBondContact CA-O 3.01Å; F49-I183 HydrophobicContact CD1-CG2 4.35Å; F49-I184 HydrophobicContact CD1-CG1 4.04Å; F49-I184 HydrophobicContact CE1-CG1 3.9Å; F49-L185 WeakPolarHBondContact O-CD1 3.13Å |
| 50 | K | 91.7 | Very high | 86.1 | Confident | 119 Ų | 119 | 52.4 Ų | 52.4 | 52% | 0.517 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 144 | 172 | -168.4 | 177.9 | 175.8 | -178.6 | 0 | 111.4 | E52 L53 I183 L185 | K50-E52 PolarHBondContact O-N 3Å; K50-L53 WeakPolarHBondContact O-CB 3.41Å; K50-L53 PolarHBondContact O-N 2.87Å; K50-I183 PolarHBondContact N-O 2.86Å; K50-L185 HydrophobicContact CB-CD2 4.4Å; K50-L185 HydrophobicContact CB-CG 4.38Å; K50-L185 HydrophobicContact CG-CD2 4.49Å |
| 51 | T | 86.9 | Confident | 87.8 | Confident | 63 Ų | 63 | 50.5 Ų | 50.5 | 39% | 0.387 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 136.1 | 173.7 | -42.6 | 0 | 0 | 0 | 0 | 110.1 | L53 R83 Q84 | T51-L53 VanDerWaalsContact C-N 3.3Å; T51-L53 PolarHBondContact O-N 2.86Å; T51-R83 HydrophobicContact CG2-CB 4.38Å; T51-Q84 PolarHBondContact OG1-NE2 3.12Å |
| 52 | E | 81.9 | Confident | 89.4 | Confident | 164 Ų | 164 | 48.3 Ų | 48.3 | 77% | 0.766 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 27.3 | 178.6 | -55.6 | 177.3 | 169.6 | 0 | 0 | 115 | K50 R83 | K50-E52 PolarHBondContact O-N 3Å; E52-R83 PolarHBondContact N-O 3.24Å |
| 53 | L | 86.1 | Confident | 90.3 | Very high | 26 Ų | 26 | 48.6 Ų | 48.6 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | trans | -64.4 | 144.2 | 168.9 | -169.5 | 68.5 | 0 | 0 | 0 | 110.9 | F49 K50 T51 I57 V58 Y85 I183 | F49-L53 HydrophobicContact CB-CD2 3.73Å; F49-L53 HydrophobicContact CD1-CD2 3.78Å; F49-L53 HydrophobicContact CG-CD2 3.83Å; K50-L53 WeakPolarHBondContact O-CB 3.41Å; K50-L53 PolarHBondContact O-N 2.87Å; T51-L53 VanDerWaalsContact C-N 3.3Å; T51-L53 PolarHBondContact O-N 2.86Å; L53-I57 HydrophobicContact CD1-CB 4.44Å; L53-I57 HydrophobicContact CD1-CD1 3.75Å; L53-I57 HydrophobicContact CD1-CG2 4.4Å; L53-I57 HydrophobicContact CD2-CB 4.33Å; L53-I57 HydrophobicContact CD2-CG2 4.1Å; L53-I57 HydrophobicContact CG-CB 4.35Å; L53-I57 HydrophobicContact CG-CD1 4.44Å; L53-V58 HydrophobicContact CD2-CG2 3.79Å; L53-Y85 VanDerWaalsContact O-CE2 3.3Å; L53-Y85 WeakPolarHBondContact O-CE2 3.11Å; L53-I183 HydrophobicContact CD1-CG2 4.31Å; L53-I183 HydrophobicContact CD2-CG2 4.08Å | ||
| 54 | S | 87.1 | Confident | 90.4 | Very high | 54 Ų | 54 | 48.3 Ų | 48.3 | 38% | 0.378 | 24% | 0.236 | S | C | . | . | trans | -65.6 | 141.8 | 172.4 | 57.8 | 0 | 0 | 0 | 0 | 111 | E56 I57 | S54-E56 PolarHBondContact O-N 3.27Å; S54-I57 PolarHBondContact O-N 3.14Å; S54-I57 VanDerWaalsContact OG-CD1 3.29Å; S54-I57 WeakPolarHBondContact OG-CD1 3.26Å; S54-I57 WeakPolarHBondContact OG-CG1 3.5Å | ||
| 55 | E | 89.3 | Confident | 90.5 | Very high | 98 Ų | 98 | 47.6 Ų | 47.6 | 46% | 0.458 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.5 | -33.4 | -179.9 | -168.9 | 170.9 | -177.4 | 0 | 0 | 111.9 | I57 V58 D59 K76 Y85 | E55-I57 PolarHBondContact O-N 3.43Å; E55-V58 WeakPolarHBondContact O-CB 3.35Å; E55-V58 PolarHBondContact O-N 3.35Å; E55-V58 VanDerWaalsContact O-N 3.11Å; E55-D59 PolarHBondContact O-N 3.43Å; E55-K76 VanDerWaalsContact CD-NZ 3.29Å; E55-K76 IonicContact OE1-NZ 3.93Å; E55-K76 PolarHBondContact OE1-NZ 3.08Å; E55-Y85 HydrophobicContact CB-CE2 4.39Å; E55-Y85 HydrophobicContact CG-CE1 4.16Å |
| 56 | E | 88.8 | Confident | 90.4 | Very high | 155 Ų | 155 | 53 Ų | 53 | 72% | 0.724 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -58.3 | -40.6 | 179.8 | -62.6 | 173.3 | 179.3 | 0 | 0 | 113.3 | S54 V58 D59 W60 | S54-E56 PolarHBondContact O-N 3.27Å; E56-V58 VanDerWaalsContact C-N 3.3Å; E56-V58 PolarHBondContact O-N 3.25Å; E56-D59 PolarHBondContact O-N 3.01Å; E56-W60 VanDerWaalsContact O-CB 3.26Å; E56-W60 WeakPolarHBondContact O-CB 3.23Å; E56-W60 PolarHBondContact O-N 3.42Å |
| 57 | I | 89.1 | Confident | 90.3 | Very high | 37 Ų | 37 | 58.8 Ų | 58.8 | 19% | 0.19 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 178.9 | -66.3 | 170.2 | 0 | 0 | 0 | 110.3 | L53 S54 E55 L61 I183 | L53-I57 HydrophobicContact CD1-CB 4.44Å; L53-I57 HydrophobicContact CD1-CD1 3.75Å; L53-I57 HydrophobicContact CD1-CG2 4.4Å; L53-I57 HydrophobicContact CD2-CB 4.33Å; L53-I57 HydrophobicContact CD2-CG2 4.1Å; L53-I57 HydrophobicContact CG-CB 4.35Å; L53-I57 HydrophobicContact CG-CD1 4.44Å; S54-I57 PolarHBondContact O-N 3.14Å; S54-I57 VanDerWaalsContact OG-CD1 3.29Å; S54-I57 WeakPolarHBondContact OG-CD1 3.26Å; S54-I57 WeakPolarHBondContact OG-CG1 3.5Å; E55-I57 PolarHBondContact O-N 3.43Å; I57-L61 PolarHBondContact O-N 3.02Å; I57-L61 VanDerWaalsContact O-N 3.09Å; I57-I183 HydrophobicContact CG2-CG2 4.43Å |
| 58 | V | 90.9 | Very high | 90 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68 | -45.5 | 178 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | F49 L53 E55 E56 L61 I62 K76 Y85 L87 | F49-V58 HydrophobicContact CD2-CG1 4.37Å; F49-V58 HydrophobicContact CD2-CG2 3.84Å; F49-V58 HydrophobicContact CE2-CB 4.33Å; F49-V58 HydrophobicContact CE2-CG1 3.7Å; F49-V58 HydrophobicContact CE2-CG2 3.86Å; F49-V58 HydrophobicContact CG-CG2 4.27Å; F49-V58 HydrophobicContact CZ-CG1 4.24Å; F49-V58 HydrophobicContact CZ-CG2 4.32Å; L53-V58 HydrophobicContact CD2-CG2 3.79Å; E55-V58 WeakPolarHBondContact O-CB 3.35Å; E55-V58 PolarHBondContact O-N 3.35Å; E55-V58 VanDerWaalsContact O-N 3.11Å; E56-V58 VanDerWaalsContact C-N 3.3Å; E56-V58 PolarHBondContact O-N 3.25Å; V58-L61 PolarHBondContact O-N 3.1Å; V58-I62 HydrophobicContact CG1-CD1 4Å; V58-I62 VanDerWaalsContact O-CG1 3.27Å; V58-I62 WeakPolarHBondContact O-CG1 3.47Å; V58-I62 PolarHBondContact O-N 3.43Å; V58-K76 HydrophobicContact CG1-CD 4.42Å; V58-K76 HydrophobicContact CG1-CG 4.37Å; V58-Y85 HydrophobicContact CG2-CD2 4.17Å; V58-Y85 HydrophobicContact CG2-CG 4.01Å; V58-L87 HydrophobicContact CG1-CD2 3.87Å |
| 59 | D | 92.1 | Very high | 89.9 | Confident | 67 Ų | 67 | 63 Ų | 63 | 36% | 0.358 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.7 | -35.9 | 178.6 | -70.1 | -34.2 | 0 | 0 | 0 | 112.8 | E55 E56 I62 K63 K76 | E55-D59 PolarHBondContact O-N 3.43Å; E56-D59 PolarHBondContact O-N 3.01Å; D59-I62 PolarHBondContact O-N 3.14Å; D59-K63 WeakPolarHBondContact O-CB 3.36Å; D59-K63 PolarHBondContact O-N 2.72Å; D59-K76 WeakPolarHBondContact OD1-CE 3.35Å; D59-K76 IonicContact OD1-NZ 2.68Å; D59-K76 PolarHBondContact OD1-NZ 3.32Å; D59-K76 IonicContact OD2-NZ 3.78Å; D59-K76 PolarHBondContact OD2-NZ 2.93Å |
| 60 | W | 91.1 | Very high | 89.7 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 12% | 0.121 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.6 | -49.9 | 169.9 | 166.1 | 80.7 | 0 | 0 | 0 | 111.3 | E56 I62 K63 I64 D160 M163 C164 F168 | E56-W60 VanDerWaalsContact O-CB 3.26Å; E56-W60 WeakPolarHBondContact O-CB 3.23Å; E56-W60 PolarHBondContact O-N 3.42Å; W60-I62 PolarHBondContact O-N 2.87Å; W60-K63 WeakPolarHBondContact O-CB 3.35Å; W60-K63 PolarHBondContact O-N 2.87Å; W60-I64 HydrophobicContact CD2-CD1 3.9Å; W60-I64 HydrophobicContact CE3-CD1 4.46Å; W60-I64 HydrophobicContact CG-CD1 4.46Å; W60-I64 HydrophobicContact CH2-CD1 3.89Å; W60-I64 HydrophobicContact CZ2-CD1 3.25Å; W60-I64 HydrophobicContact CZ3-CD1 4.44Å; W60-I64 PolarHBondContact O-N 3.41Å; W60-D160 HydrophobicContact CZ2-CB 4.21Å; W60-D160 WeakPolarHBondContact CZ2-O 3.3Å; W60-M163 HydrophobicContact CD2-CB 4.27Å; W60-M163 HydrophobicContact CG-CB 3.97Å; W60-M163 HydrophobicContact CG-CG 4.2Å; W60-C164 HydrophobicContact CH2-CB 4.45Å; W60-C164 VanDerWaalsContact CH2-SG 3.58Å; W60-C164 WeakPolarHBondContact CZ3-SG 3.39Å; W60-F168 HydrophobicContact CH2-CE2 4.06Å; W60-F168 HydrophobicContact CH2-CZ 4.27Å; W60-F168 HydrophobicContact CZ2-CE2 4.41Å |
| 61 | L | 91.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 179.4 | -176.1 | 60.9 | 0 | 0 | 0 | 111.5 | F49 I57 V58 K63 I64 I65 I175 L178 | F49-L61 HydrophobicContact CE1-CD2 3.85Å; F49-L61 HydrophobicContact CZ-CD2 3.88Å; I57-L61 PolarHBondContact O-N 3.02Å; I57-L61 VanDerWaalsContact O-N 3.09Å; V58-L61 PolarHBondContact O-N 3.1Å; L61-K63 VanDerWaalsContact C-N 3.31Å; L61-K63 PolarHBondContact O-N 3.22Å; L61-I64 PolarHBondContact O-N 2.88Å; L61-I65 HydrophobicContact CD1-CD1 4.22Å; L61-I65 HydrophobicContact CD1-CG1 4.31Å; L61-I65 HydrophobicContact CG-CD1 3.89Å; L61-I65 HydrophobicContact CG-CG1 4.42Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.41Å; L61-I65 PolarHBondContact O-N 3.48Å; L61-I175 HydrophobicContact CD1-CD1 4.38Å; L61-I175 HydrophobicContact CD2-CD1 4.47Å; L61-L178 HydrophobicContact CD1-CD1 4.1Å; L61-L178 HydrophobicContact CD2-CD1 4.19Å |
| 62 | I | 92.2 | Very high | 89.9 | Confident | 17 Ų | 17 | 62.3 Ų | 62.3 | 9% | 0.087 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 174.9 | -69.1 | 166.4 | 0 | 0 | 0 | 110.6 | V58 D59 W60 I64 I65 K66 I74 K76 L87 | V58-I62 HydrophobicContact CG1-CD1 4Å; V58-I62 VanDerWaalsContact O-CG1 3.27Å; V58-I62 WeakPolarHBondContact O-CG1 3.47Å; V58-I62 PolarHBondContact O-N 3.43Å; D59-I62 PolarHBondContact O-N 3.14Å; W60-I62 PolarHBondContact O-N 2.87Å; I62-I64 VanDerWaalsContact C-N 3.34Å; I62-I64 PolarHBondContact O-N 3.1Å; I62-I65 PolarHBondContact O-N 3.14Å; I62-K66 HydrophobicContact CG2-CD 3.97Å; I62-K66 HydrophobicContact CG2-CG 4.33Å; I62-K66 WeakPolarHBondContact O-CB 3.41Å; I62-K66 WeakPolarHBondContact O-CG 3.41Å; I62-K66 PolarHBondContact O-N 2.91Å; I62-I74 HydrophobicContact CG1-CG2 4.2Å; I62-I74 HydrophobicContact CG2-CD1 4.48Å; I62-K76 HydrophobicContact CD1-CB 3.88Å; I62-K76 HydrophobicContact CD1-CD 3.95Å; I62-K76 HydrophobicContact CD1-CG 4.11Å; I62-L87 HydrophobicContact CD1-CD2 3.66Å; I62-L87 HydrophobicContact CG1-CD1 4.19Å; I62-L87 HydrophobicContact CG1-CD2 3.77Å |
| 63 | K | 91.5 | Very high | 90.3 | Very high | 143 Ų | 143 | 57.4 Ų | 57.4 | 62% | 0.622 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.3 | -43.3 | 178.6 | -173.7 | 180 | 179.2 | -177.5 | 0 | 111.3 | D59 W60 L61 N67 | D59-K63 WeakPolarHBondContact O-CB 3.36Å; D59-K63 PolarHBondContact O-N 2.72Å; W60-K63 WeakPolarHBondContact O-CB 3.35Å; W60-K63 PolarHBondContact O-N 2.87Å; L61-K63 VanDerWaalsContact C-N 3.31Å; L61-K63 PolarHBondContact O-N 3.22Å; K63-N67 WeakPolarHBondContact O-CB 3.22Å; K63-N67 PolarHBondContact O-N 3.33Å; K63-N67 VanDerWaalsContact O-N 3.08Å; K63-N67 PolarHBondContact O-OD1 2.9Å |
| 64 | I | 90 | Very high | 90.6 | Very high | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -49.1 | 176.6 | -71.4 | 176.8 | 0 | 0 | 0 | 111.2 | W60 L61 I62 K66 N67 R68 L154 D160 M174 | W60-I64 HydrophobicContact CD2-CD1 3.9Å; W60-I64 HydrophobicContact CE3-CD1 4.46Å; W60-I64 HydrophobicContact CG-CD1 4.46Å; W60-I64 HydrophobicContact CH2-CD1 3.89Å; W60-I64 HydrophobicContact CZ2-CD1 3.25Å; W60-I64 HydrophobicContact CZ3-CD1 4.44Å; W60-I64 PolarHBondContact O-N 3.41Å; L61-I64 PolarHBondContact O-N 2.88Å; I62-I64 VanDerWaalsContact C-N 3.34Å; I62-I64 PolarHBondContact O-N 3.1Å; I64-K66 PolarHBondContact O-N 2.79Å; I64-N67 PolarHBondContact O-N 3.08Å; I64-R68 PolarHBondContact O-N 3.38Å; I64-L154 HydrophobicContact CG2-CD2 4.38Å; I64-D160 HydrophobicContact CD1-CB 4.2Å; I64-M174 HydrophobicContact CG2-CE 3.54Å; I64-M174 HydrophobicContact CG2-SD 4.3Å |
| 65 | I | 92.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -46.5 | -178 | -61.8 | 165.7 | 0 | 0 | 0 | 110 | L61 I62 N67 R68 V69 L72 I74 L151 L154 | L61-I65 HydrophobicContact CD1-CD1 4.22Å; L61-I65 HydrophobicContact CD1-CG1 4.31Å; L61-I65 HydrophobicContact CG-CD1 3.89Å; L61-I65 HydrophobicContact CG-CG1 4.42Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.41Å; L61-I65 PolarHBondContact O-N 3.48Å; I62-I65 PolarHBondContact O-N 3.14Å; I65-N67 VanDerWaalsContact C-N 3.29Å; I65-N67 PolarHBondContact O-N 3.43Å; I65-R68 PolarHBondContact O-N 2.84Å; I65-V69 CarbonylContact O-C 3.58Å; I65-V69 WeakPolarHBondContact O-CA 3.27Å; I65-V69 PolarHBondContact O-N 2.93Å; I65-L72 HydrophobicContact CG2-CB 4.37Å; I65-L72 HydrophobicContact CG2-CD1 3.72Å; I65-I74 HydrophobicContact CB-CD1 3.62Å; I65-I74 HydrophobicContact CD1-CD1 4.29Å; I65-I74 HydrophobicContact CG2-CD1 3.43Å; I65-I74 VanDerWaalsContact CG2-CD1 3.43Å; I65-I74 HydrophobicContact CG2-CG1 4.43Å; I65-L151 HydrophobicContact CD1-CD2 4.26Å; I65-L154 HydrophobicContact CG1-CD2 3.77Å |
| 66 | K | 92.3 | Very high | 90.7 | Very high | 114 Ų | 114 | 56.7 Ų | 56.7 | 50% | 0.496 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.3 | -36.9 | 178.6 | -75.4 | -177.1 | 175.5 | -175.7 | 0 | 113.2 | I62 I64 I74 | I62-K66 HydrophobicContact CG2-CD 3.97Å; I62-K66 HydrophobicContact CG2-CG 4.33Å; I62-K66 WeakPolarHBondContact O-CB 3.41Å; I62-K66 WeakPolarHBondContact O-CG 3.41Å; I62-K66 PolarHBondContact O-N 2.91Å; I64-K66 PolarHBondContact O-N 2.79Å; K66-I74 HydrophobicContact CG-CD1 4.1Å |
| 67 | N | 90.7 | Very high | 90.5 | Very high | 120 Ų | 120 | 52.1 Ų | 52.1 | 64% | 0.642 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -74.5 | -35.9 | -179.2 | -73.3 | -3.4 | 0 | 0 | 0 | 112.8 | K63 I64 I65 | K63-N67 WeakPolarHBondContact O-CB 3.22Å; K63-N67 PolarHBondContact O-N 3.33Å; K63-N67 VanDerWaalsContact O-N 3.08Å; K63-N67 PolarHBondContact O-OD1 2.9Å; I64-N67 PolarHBondContact O-N 3.08Å; I65-N67 VanDerWaalsContact C-N 3.29Å; I65-N67 PolarHBondContact O-N 3.43Å |
| 68 | R | 89.2 | Confident | 90.3 | Very high | 81 Ų | 81 | 53.7 Ų | 53.7 | 31% | 0.306 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -95.8 | -31.9 | -173.7 | -67.1 | -171 | 177.8 | 143.4 | 21.3 | 114 | I64 I65 L154 R155 C157 D160 M174 | I64-R68 PolarHBondContact O-N 3.38Å; I65-R68 PolarHBondContact O-N 2.84Å; R68-L154 HydrophobicContact CB-CD1 3.96Å; R68-R155 PolarHBondContact NH1-O 3.33Å; R68-C157 VanDerWaalsContact CZ-SG 3.55Å; R68-D160 IonicContact CZ-OD1 2.68Å; R68-D160 IonicContact CZ-OD2 3.04Å; R68-D160 IonicContact NH1-OD1 3Å; R68-D160 IonicContact NH1-OD2 3.49Å; R68-D160 PolarHBondContact NH1-OD2 3.15Å; R68-D160 IonicContact NH2-OD1 2.83Å; R68-D160 PolarHBondContact NH2-OD1 3.41Å; R68-D160 IonicContact NH2-OD2 3.92Å; R68-D160 PolarHBondContact NH2-OD2 3.06Å; R68-M174 VanDerWaalsContact NH1-CE 3.27Å |
| 69 | V | 90.6 | Very high | 90 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | trans | -129 | 75 | -177.3 | -169.6 | 0 | 0 | 0 | 0 | 108 | I65 Q71 L72 F150 L154 | I65-V69 CarbonylContact O-C 3.58Å; I65-V69 WeakPolarHBondContact O-CA 3.27Å; I65-V69 PolarHBondContact O-N 2.93Å; V69-Q71 HydrophobicContact CG1-CB 4.34Å; V69-Q71 PolarHBondContact O-N 2.84Å; V69-Q71 VanDerWaalsContact O-N 3.12Å; V69-L72 HydrophobicContact CB-CD1 4.09Å; V69-L72 HydrophobicContact CB-CG 4.43Å; V69-L72 HydrophobicContact CG1-CB 4.33Å; V69-L72 HydrophobicContact CG1-CD1 3.7Å; V69-L72 HydrophobicContact CG1-CG 3.69Å; V69-L72 PolarHBondContact O-N 2.73Å; V69-F150 HydrophobicContact CG1-CB 4.15Å; V69-F150 HydrophobicContact CG1-CD1 4.43Å; V69-F150 HydrophobicContact CG1-CG 4.21Å; V69-L154 HydrophobicContact CG2-CD1 3.8Å | ||
| 70 | P | 89.4 | Confident | 89.3 | Confident | 97 Ų | 97 | 58.6 Ų | 58.6 | 63% | 0.63 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -14.9 | 180 | 28 | -36.4 | 0 | 0 | 0 | 113 | L72 | P70-L72 PolarHBondContact O-N 3.41Š|
| 71 | Q | 90.2 | Very high | 88.4 | Confident | 63 Ų | 63 | 58.3 Ų | 58.3 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.3 | 176.6 | -60.1 | 85.6 | -4.5 | 0 | 0 | 112.9 | V69 A91 S92 | V69-Q71 HydrophobicContact CG1-CB 4.34Å; V69-Q71 PolarHBondContact O-N 2.84Å; V69-Q71 VanDerWaalsContact O-N 3.12Å; Q71-A91 WeakPolarHBondContact O-CA 3.21Å; Q71-S92 PolarHBondContact O-N 3.22Å; Q71-S92 VanDerWaalsContact O-N 3.15Å |
| 72 | L | 92.2 | Very high | 87.9 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.047 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.4 | -175.8 | -73.4 | 174.2 | 0 | 0 | 0 | 112.1 | I65 V69 P70 A91 V147 F150 L151 | I65-L72 HydrophobicContact CG2-CB 4.37Å; I65-L72 HydrophobicContact CG2-CD1 3.72Å; V69-L72 HydrophobicContact CB-CD1 4.09Å; V69-L72 HydrophobicContact CB-CG 4.43Å; V69-L72 HydrophobicContact CG1-CB 4.33Å; V69-L72 HydrophobicContact CG1-CD1 3.7Å; V69-L72 HydrophobicContact CG1-CG 3.69Å; V69-L72 PolarHBondContact O-N 2.73Å; P70-L72 PolarHBondContact O-N 3.41Å; L72-A91 HydrophobicContact CD2-CB 4.27Å; L72-V147 HydrophobicContact CD2-CB 4.47Å; L72-V147 HydrophobicContact CD2-CG1 3.94Å; L72-V147 HydrophobicContact CD2-CG2 4.34Å; L72-F150 HydrophobicContact CD1-CB 3.92Å; L72-F150 HydrophobicContact CD2-CB 4.34Å; L72-F150 HydrophobicContact CD2-CD2 4.1Å; L72-F150 HydrophobicContact CG-CB 4.28Å; L72-F150 HydrophobicContact CG-CD2 4.4Å; L72-L151 HydrophobicContact CD1-CD2 4.24Å |
| 73 | V | 90.7 | Very high | 87.5 | Confident | 61 Ų | 61 | 65.1 Ų | 65.1 | 37% | 0.37 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 121.6 | 171.6 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | T90 | V73-T90 HydrophobicContact CB-CG2 3.78Å; V73-T90 HydrophobicContact CG1-CG2 4.22Å; V73-T90 PolarHBondContact N-O 3.37Å; V73-T90 PolarHBondContact O-N 3.42Å |
| 74 | I | 91.7 | Very high | 87.4 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 9% | 0.087 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 124.6 | -172 | -47.5 | 176.8 | 0 | 0 | 0 | 110 | I62 I65 K66 L87 L89 | I62-I74 HydrophobicContact CG1-CG2 4.2Å; I62-I74 HydrophobicContact CG2-CD1 4.48Å; I65-I74 HydrophobicContact CB-CD1 3.62Å; I65-I74 HydrophobicContact CD1-CD1 4.29Å; I65-I74 HydrophobicContact CG2-CD1 3.43Å; I65-I74 VanDerWaalsContact CG2-CD1 3.43Å; I65-I74 HydrophobicContact CG2-CG1 4.43Å; K66-I74 HydrophobicContact CG-CD1 4.1Å; I74-L87 HydrophobicContact CG2-CB 4.28Å; I74-L87 HydrophobicContact CG2-CD1 4.39Å; I74-L87 HydrophobicContact CG2-CD2 4.17Å; I74-L87 HydrophobicContact CG2-CG 4.5Å; I74-L89 HydrophobicContact CB-CD2 4Å; I74-L89 HydrophobicContact CD1-CD2 4.33Å; I74-L89 HydrophobicContact CG1-CD2 3.65Å; I74-L89 HydrophobicContact CG2-CD2 3.7Å |
| 75 | H | 89.5 | Confident | 87.4 | Confident | 85 Ų | 85 | 61 Ų | 61 | 39% | 0.394 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 116.8 | 170.5 | -61 | 91.3 | 0 | 0 | 0 | 110.1 | Y88 | H75-Y88 PolarHBondContact N-O 2.84Å; H75-Y88 PolarHBondContact O-N 3.43Å |
| 76 | K | 88.9 | Confident | 87.4 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 27% | 0.265 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 129.5 | 172.9 | -176.9 | -173.4 | -177 | -178.5 | 0 | 109.1 | E55 V58 D59 I62 L87 | E55-K76 VanDerWaalsContact CD-NZ 3.29Å; E55-K76 IonicContact OE1-NZ 3.93Å; E55-K76 PolarHBondContact OE1-NZ 3.08Å; V58-K76 HydrophobicContact CG1-CD 4.42Å; V58-K76 HydrophobicContact CG1-CG 4.37Å; D59-K76 WeakPolarHBondContact OD1-CE 3.35Å; D59-K76 IonicContact OD1-NZ 2.68Å; D59-K76 PolarHBondContact OD1-NZ 3.32Å; D59-K76 IonicContact OD2-NZ 3.78Å; D59-K76 PolarHBondContact OD2-NZ 2.93Å; I62-K76 HydrophobicContact CD1-CB 3.88Å; I62-K76 HydrophobicContact CD1-CD 3.95Å; I62-K76 HydrophobicContact CD1-CG 4.11Å; K76-L87 HydrophobicContact CB-CD2 4.29Å; K76-L87 HydrophobicContact CG-CD2 4.43Å |
| 77 | Q | 85.5 | Confident | 87.4 | Confident | 59 Ų | 59 | 55.5 Ų | 55.5 | 28% | 0.276 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 148.8 | 168.6 | -55.4 | -175.9 | -5.7 | 0 | 0 | 110.6 | A86 Y88 | Q77-A86 PolarHBondContact N-O 3.17Å; Q77-A86 PolarHBondContact O-N 3.11Å; Q77-A86 VanDerWaalsContact O-O 3.08Å; Q77-Y88 HydrophobicContact CB-CD2 4.14Å; Q77-Y88 HydrophobicContact CB-CE2 3.69Å; Q77-Y88 HydrophobicContact CG-CD2 3.79Å; Q77-Y88 HydrophobicContact CG-CE2 3.66Å; Q77-Y88 PolarHBondContact OE1-OH 3.36Å |
| 78 | F | 85.4 | Confident | 87.5 | Confident | 71 Ų | 71 | 50.1 Ų | 50.1 | 31% | 0.311 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.6 | 173 | -176.9 | -106 | 0 | 0 | 0 | 110.1 | R80 R83 Y85 | F78-R80 HydrophobicContact CD1-CG 4.11Å; F78-R80 HydrophobicContact CE1-CG 4.44Å; F78-R80 PolarHBondContact O-N 2.73Å; F78-R83 HydrophobicContact CZ-CB 4.42Å; F78-Y85 HydrophobicContact CB-CD1 4.23Å; F78-Y85 HydrophobicContact CB-CE1 4.14Å; F78-Y85 AromaticContact CD2-CD1 3.65Å; F78-Y85 HydrophobicContact CD2-CD1 3.65Å; F78-Y85 HydrophobicContact CD2-CD2 4.19Å; F78-Y85 AromaticContact CD2-CE1 3.5Å; F78-Y85 HydrophobicContact CD2-CE1 3.5Å; F78-Y85 HydrophobicContact CD2-CE2 4.08Å; F78-Y85 AromaticContact CD2-CG 3.98Å; F78-Y85 HydrophobicContact CD2-CG 3.98Å; F78-Y85 AromaticContact CD2-CZ 3.73Å; F78-Y85 HydrophobicContact CE2-CD2 4.36Å; F78-Y85 HydrophobicContact CE2-CE1 4.31Å; F78-Y85 HydrophobicContact CE2-CE2 4.11Å; F78-Y85 HydrophobicContact CG-CD1 4.41Å; F78-Y85 HydrophobicContact CG-CE1 4.17Å |
| 79 | H | 84 | Confident | 87.7 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 102.3 | 175.5 | -72.7 | -179.4 | 0 | 0 | 0 | 109.4 | T81 S82 R83 Q84 Y88 T587 E590 | H79-T81 VanDerWaalsContact C-N 3.32Å; H79-T81 PolarHBondContact O-N 3.37Å; H79-S82 WeakPolarHBondContact CB-OG 3.47Å; H79-R83 VanDerWaalsContact O-CA 3.25Å; H79-R83 WeakPolarHBondContact O-CA 3.46Å; H79-R83 PolarHBondContact O-N 3.01Å; H79-Q84 WeakPolarHBondContact CB-O 3.48Å; H79-Q84 PolarHBondContact N-O 3.45Å; H79-Q84 PolarHBondContact O-N 3.33Å; H79-Y88 AromaticContact NE2-CE2 3.86Å; H79-Y88 AromaticContact NE2-CZ 3.74Å; H79-Y88 PolarHBondContact NE2-OH 2.97Å; H79-T587 PolarHBondContact NE2-OG1 3.13Å; H79-E590 HydrophobicContact CB-CG 4.35Å; H79-E590 WeakPolarHBondContact CB-OE1 3.41Å |
| 80 | R | 76.1 | Confident | 87.7 | Confident | 167 Ų | 167 | 46.4 Ų | 46.4 | 63% | 0.63 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -34.4 | -176.9 | -65.3 | -176.1 | -178.8 | -176.5 | 0.7 | 112.4 | F78 | F78-R80 HydrophobicContact CD1-CG 4.11Å; F78-R80 HydrophobicContact CE1-CG 4.44Å; F78-R80 PolarHBondContact O-N 2.73Å |
| 81 | T | 73.2 | Confident | 87.9 | Confident | 25 Ų | 25 | 42.1 Ų | 42.1 | 15% | 0.153 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -51 | -179.1 | -40.9 | 0 | 0 | 0 | 0 | 110.6 | H79 R83 Y488 R491 E590 | H79-T81 VanDerWaalsContact C-N 3.32Å; H79-T81 PolarHBondContact O-N 3.37Å; T81-R83 VanDerWaalsContact C-N 3.31Å; T81-R83 PolarHBondContact O-N 3.5Å; T81-Y488 HydrophobicContact CG2-CD2 3.67Å; T81-Y488 HydrophobicContact CG2-CE2 4.3Å; T81-R491 PolarHBondContact O-NH1 3.39Å; T81-E590 WeakPolarHBondContact CA-OE1 2.96Å; T81-E590 WeakPolarHBondContact CB-OE1 3.26Å; T81-E590 PolarHBondContact N-OE1 2.92Å; T81-E590 PolarHBondContact OG1-OE1 3.4Å; T81-E590 PolarHBondContact OG1-OE2 2.8Å |
| 82 | S | 79.7 | Confident | 88 | Confident | 30 Ų | 30 | 41.7 Ų | 41.7 | 21% | 0.21 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -15.2 | 179.7 | 65.1 | 0 | 0 | 0 | 0 | 113.5 | H79 Q84 E590 | H79-S82 WeakPolarHBondContact CB-OG 3.47Å; S82-Q84 VanDerWaalsContact C-N 3.29Å; S82-Q84 WeakPolarHBondContact OG-CB 3.4Å; S82-Q84 PolarHBondContact OG-OE1 2.96Å; S82-E590 PolarHBondContact N-OE1 3.48Å |
| 83 | R | 84.6 | Confident | 87.9 | Confident | 135 Ų | 135 | 43.9 Ų | 43.9 | 51% | 0.509 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 42.2 | -172.1 | -67.8 | -80.2 | -65.7 | 168.6 | 3.1 | 111.7 | T51 E52 F78 H79 T81 | T51-R83 HydrophobicContact CG2-CB 4.38Å; E52-R83 PolarHBondContact N-O 3.24Å; F78-R83 HydrophobicContact CZ-CB 4.42Å; H79-R83 VanDerWaalsContact O-CA 3.25Å; H79-R83 WeakPolarHBondContact O-CA 3.46Å; H79-R83 PolarHBondContact O-N 3.01Å; T81-R83 VanDerWaalsContact C-N 3.31Å; T81-R83 PolarHBondContact O-N 3.5Å |
| 84 | Q | 88.7 | Confident | 88 | Confident | 27 Ų | 27 | 47 Ų | 47 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 146.2 | -177.6 | -69.2 | 168.8 | -15.9 | 0 | 0 | 110.3 | I48 T51 H79 S82 | I48-Q84 HydrophobicContact CG2-CB 4.23Å; I48-Q84 VanDerWaalsContact CG2-OE1 3.23Å; T51-Q84 PolarHBondContact OG1-NE2 3.12Å; H79-Q84 WeakPolarHBondContact CB-O 3.48Å; H79-Q84 PolarHBondContact N-O 3.45Å; H79-Q84 PolarHBondContact O-N 3.33Å; S82-Q84 VanDerWaalsContact C-N 3.29Å; S82-Q84 WeakPolarHBondContact OG-CB 3.4Å; S82-Q84 PolarHBondContact OG-OE1 2.96Å |
| 85 | Y | 91.6 | Very high | 88 | Confident | 40 Ų | 40 | 46.3 Ų | 46.3 | 16% | 0.157 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 143.1 | 164.9 | -70.7 | -77.8 | 0 | 0 | 0 | 109.3 | F49 L53 E55 V58 F78 | F49-Y85 WeakPolarHBondContact CD2-O 3.38Å; F49-Y85 PolarHBondContact N-O 3.33Å; F49-Y85 VanDerWaalsContact N-O 3.08Å; L53-Y85 VanDerWaalsContact O-CE2 3.3Å; L53-Y85 WeakPolarHBondContact O-CE2 3.11Å; E55-Y85 HydrophobicContact CB-CE2 4.39Å; E55-Y85 HydrophobicContact CG-CE1 4.16Å; V58-Y85 HydrophobicContact CG2-CD2 4.17Å; V58-Y85 HydrophobicContact CG2-CG 4.01Å; F78-Y85 HydrophobicContact CB-CD1 4.23Å; F78-Y85 HydrophobicContact CB-CE1 4.14Å; F78-Y85 AromaticContact CD2-CD1 3.65Å; F78-Y85 HydrophobicContact CD2-CD1 3.65Å; F78-Y85 HydrophobicContact CD2-CD2 4.19Å; F78-Y85 AromaticContact CD2-CE1 3.5Å; F78-Y85 HydrophobicContact CD2-CE1 3.5Å; F78-Y85 HydrophobicContact CD2-CE2 4.08Å; F78-Y85 AromaticContact CD2-CG 3.98Å; F78-Y85 HydrophobicContact CD2-CG 3.98Å; F78-Y85 AromaticContact CD2-CZ 3.73Å; F78-Y85 HydrophobicContact CE2-CD2 4.36Å; F78-Y85 HydrophobicContact CE2-CE1 4.31Å; F78-Y85 HydrophobicContact CE2-CE2 4.11Å; F78-Y85 HydrophobicContact CG-CD1 4.41Å; F78-Y85 HydrophobicContact CG-CE1 4.17Å |
| 86 | A | 90.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V46 V47 I48 Q77 Y88 | V46-A86 HydrophobicContact CG1-CB 4.36Å; V47-A86 CarbonylContact O-C 3.6Å; V47-A86 WeakPolarHBondContact O-CA 3.34Å; I48-A86 HydrophobicContact CG1-CB 4.35Å; Q77-A86 PolarHBondContact N-O 3.17Å; Q77-A86 PolarHBondContact O-N 3.11Å; Q77-A86 VanDerWaalsContact O-O 3.08Å; A86-Y88 HydrophobicContact CB-CE2 4.1Å |
| 87 | L | 92.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129.9 | 169.1 | -53.6 | -179.4 | 0 | 0 | 0 | 109.3 | V46 V47 F49 V58 I62 I74 K76 L89 | V46-L87 WeakPolarHBondContact CA-O 3.23Å; V47-L87 HydrophobicContact CB-CB 4.24Å; V47-L87 PolarHBondContact N-O 3.05Å; V47-L87 PolarHBondContact O-N 3.36Å; F49-L87 HydrophobicContact CE2-CD1 4.02Å; F49-L87 HydrophobicContact CE2-CD2 4.17Å; F49-L87 HydrophobicContact CE2-CG 3.67Å; F49-L87 HydrophobicContact CZ-CD1 3.8Å; F49-L87 HydrophobicContact CZ-CG 4Å; V58-L87 HydrophobicContact CG1-CD2 3.87Å; I62-L87 HydrophobicContact CD1-CD2 3.66Å; I62-L87 HydrophobicContact CG1-CD1 4.19Å; I62-L87 HydrophobicContact CG1-CD2 3.77Å; I74-L87 HydrophobicContact CG2-CB 4.28Å; I74-L87 HydrophobicContact CG2-CD1 4.39Å; I74-L87 HydrophobicContact CG2-CD2 4.17Å; I74-L87 HydrophobicContact CG2-CG 4.5Å; K76-L87 HydrophobicContact CB-CD2 4.29Å; K76-L87 HydrophobicContact CG-CD2 4.43Å; L87-L89 HydrophobicContact CB-CD2 4.21Å; L87-L89 HydrophobicContact CB-CG 4.32Å |
| 88 | Y | 92.4 | Very high | 88.9 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 3% | 0.027 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.7 | 171.9 | -68.6 | -108.6 | 0 | 0 | 0 | 107.2 | C43 V46 H75 Q77 H79 A86 T587 A589 | C43-Y88 HydrophobicContact CB-CD1 4.11Å; C43-Y88 VanDerWaalsContact SG-CB 3.57Å; V46-Y88 HydrophobicContact CG2-CD1 4.03Å; V46-Y88 HydrophobicContact CG2-CE1 4.22Å; H75-Y88 PolarHBondContact N-O 2.84Å; H75-Y88 PolarHBondContact O-N 3.43Å; Q77-Y88 HydrophobicContact CB-CD2 4.14Å; Q77-Y88 HydrophobicContact CB-CE2 3.69Å; Q77-Y88 HydrophobicContact CG-CD2 3.79Å; Q77-Y88 HydrophobicContact CG-CE2 3.66Å; Q77-Y88 PolarHBondContact OE1-OH 3.36Å; H79-Y88 AromaticContact NE2-CE2 3.86Å; H79-Y88 AromaticContact NE2-CZ 3.74Å; H79-Y88 PolarHBondContact NE2-OH 2.97Å; A86-Y88 HydrophobicContact CB-CE2 4.1Å; Y88-T587 PolarHBondContact OH-OG1 3.07Å; Y88-A589 HydrophobicContact CE1-CB 3.5Å; Y88-A589 VanDerWaalsContact CE1-CB 3.5Å; Y88-A589 WeakPolarHBondContact OH-CB 3.37Å |
| 89 | L | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.6 | -169.9 | -57.4 | 172.2 | 0 | 0 | 0 | 109.5 | C43 D44 V45 V47 I74 L87 V147 L151 | C43-L89 PolarHBondContact SG-N 3.44Å; C43-L89 VanDerWaalsContact SG-N 3.44Å; D44-L89 PolarHBondContact N-O 3Å; V45-L89 HydrophobicContact CB-CB 4.39Å; V45-L89 PolarHBondContact N-O 3.43Å; V45-L89 VanDerWaalsContact N-O 3.09Å; V45-L89 WeakPolarHBondContact O-CB 2.94Å; V45-L89 PolarHBondContact O-N 3.44Å; V47-L89 HydrophobicContact CG2-CD1 3.61Å; I74-L89 HydrophobicContact CB-CD2 4Å; I74-L89 HydrophobicContact CD1-CD2 4.33Å; I74-L89 HydrophobicContact CG1-CD2 3.65Å; I74-L89 HydrophobicContact CG2-CD2 3.7Å; L87-L89 HydrophobicContact CB-CD2 4.21Å; L87-L89 HydrophobicContact CB-CG 4.32Å; L89-V147 HydrophobicContact CB-CG1 3.84Å; L89-L151 HydrophobicContact CD1-CD1 3.28Å; L89-L151 HydrophobicContact CD1-CD2 3.69Å; L89-L151 HydrophobicContact CD1-CG 3.96Å |
| 90 | T | 92.3 | Very high | 89.7 | Confident | 17 Ų | 17 | 35.7 Ų | 35.7 | 10% | 0.104 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 177.8 | 166 | -170.5 | 0 | 0 | 0 | 0 | 107.9 | D44 V73 | D44-T90 WeakPolarHBondContact OD2-CB 3.25Å; D44-T90 PolarHBondContact OD2-OG1 3.1Å; V73-T90 HydrophobicContact CB-CG2 3.78Å; V73-T90 HydrophobicContact CG1-CG2 4.22Å; V73-T90 PolarHBondContact N-O 3.37Å; V73-T90 PolarHBondContact O-N 3.42Å |
| 91 | A | 92.3 | Very high | 90.5 | Very high | 7 Ų | 7 | 31 Ų | 31 | 6% | 0.058 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 152.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q71 L72 L96 V147 | Q71-A91 WeakPolarHBondContact O-CA 3.21Å; L72-A91 HydrophobicContact CD2-CB 4.27Å; A91-L96 HydrophobicContact CB-CD2 3.76Å; A91-L96 HydrophobicContact CB-CG 3.87Å; A91-V147 HydrophobicContact CB-CG2 4.23Å |
| 92 | S | 91.7 | Very high | 91.3 | Very high | 54 Ų | 54 | 35 Ų | 35 | 38% | 0.378 | 17% | 0.172 | S | C | . | . | trans | -59.6 | 155.1 | 166.9 | 63 | 0 | 0 | 0 | 0 | 110.3 | Q71 I94 G95 L96 | Q71-S92 PolarHBondContact O-N 3.22Å; Q71-S92 VanDerWaalsContact O-N 3.15Å; S92-I94 VanDerWaalsContact C-N 3.3Å; S92-I94 PolarHBondContact O-N 3.41Å; S92-G95 CarbonylContact O-C 3.46Å; S92-G95 VanDerWaalsContact O-CA 3.31Å; S92-G95 WeakPolarHBondContact O-CA 3.35Å; S92-G95 PolarHBondContact O-N 3.04Å; S92-G95 PolarHBondContact OG-N 3.45Å; S92-G95 VanDerWaalsContact OG-N 3.15Å; S92-L96 PolarHBondContact O-N 2.81Å | ||
| 93 | Y | 91.8 | Very high | 91.8 | Very high | 54 Ų | 54 | 36.6 Ų | 36.6 | 21% | 0.212 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.3 | -42.8 | 179.9 | -174.2 | -121.8 | 0 | 0 | 0 | 112.6 | G95 L96 L97 V131 E134 F137 L138 | Y93-G95 VanDerWaalsContact C-N 3.28Å; Y93-G95 PolarHBondContact O-N 3.26Å; Y93-L96 WeakPolarHBondContact O-CB 3.21Å; Y93-L96 PolarHBondContact O-N 3.46Å; Y93-L96 VanDerWaalsContact O-N 3.08Å; Y93-L97 HydrophobicContact CD1-CD1 4.12Å; Y93-L97 HydrophobicContact CD1-CG 4.43Å; Y93-L97 HydrophobicContact CE1-CD1 3.7Å; Y93-L97 HydrophobicContact CE1-CD2 4.29Å; Y93-L97 HydrophobicContact CE1-CG 4.08Å; Y93-L97 HydrophobicContact CE2-CD2 4.09Å; Y93-L97 HydrophobicContact CE2-CG 4.29Å; Y93-L97 WeakPolarHBondContact O-CG 3.18Å; Y93-L97 PolarHBondContact O-N 3.37Å; Y93-V131 PolarHBondContact OH-O 3.34Å; Y93-E134 HydrophobicContact CD2-CB 3.7Å; Y93-E134 HydrophobicContact CD2-CG 3.53Å; Y93-E134 HydrophobicContact CE2-CB 3.68Å; Y93-E134 HydrophobicContact CE2-CG 3.78Å; Y93-E134 HydrophobicContact CG-CB 4.4Å; Y93-E134 HydrophobicContact CG-CG 4.47Å; Y93-F137 WeakPolarHBondContact OH-CD1 3.33Å; Y93-L138 HydrophobicContact CE2-CD1 4.25Å |
| 94 | I | 91.8 | Very high | 92 | Very high | 128 Ų | 128 | 36.8 Ų | 36.8 | 66% | 0.656 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -58.4 | -43.7 | 173.3 | -60.4 | 169.9 | 0 | 0 | 0 | 110.4 | S92 L96 L97 T98 | S92-I94 VanDerWaalsContact C-N 3.3Å; S92-I94 PolarHBondContact O-N 3.41Å; I94-L96 VanDerWaalsContact C-N 3.35Å; I94-L96 PolarHBondContact O-N 3.23Å; I94-L97 PolarHBondContact O-N 3.07Å; I94-T98 WeakPolarHBondContact O-CG2 3.29Å; I94-T98 PolarHBondContact O-N 3.05Å; I94-T98 PolarHBondContact O-OG1 2.99Å |
| 95 | G | 92.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58 | -44.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S92 Y93 L97 T98 G99 F150 | S92-G95 CarbonylContact O-C 3.46Å; S92-G95 VanDerWaalsContact O-CA 3.31Å; S92-G95 WeakPolarHBondContact O-CA 3.35Å; S92-G95 PolarHBondContact O-N 3.04Å; S92-G95 PolarHBondContact OG-N 3.45Å; S92-G95 VanDerWaalsContact OG-N 3.15Å; Y93-G95 VanDerWaalsContact C-N 3.28Å; Y93-G95 PolarHBondContact O-N 3.26Å; G95-L97 PolarHBondContact O-N 3.43Å; G95-T98 WeakPolarHBondContact CA-OG1 3.31Å; G95-T98 PolarHBondContact O-N 3.35Å; G95-T98 PolarHBondContact O-OG1 2.62Å; G95-G99 PolarHBondContact O-N 3.06Å; G95-F150 WeakPolarHBondContact O-CE2 3.28Å; G95-F150 WeakPolarHBondContact O-CZ 3.44Å |
| 96 | L | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.2 | -40.9 | 175.9 | -68 | 172.7 | 0 | 0 | 0 | 112 | A91 S92 Y93 I94 G99 A100 L138 R143 I146 V147 | A91-L96 HydrophobicContact CB-CD2 3.76Å; A91-L96 HydrophobicContact CB-CG 3.87Å; S92-L96 PolarHBondContact O-N 2.81Å; Y93-L96 WeakPolarHBondContact O-CB 3.21Å; Y93-L96 PolarHBondContact O-N 3.46Å; Y93-L96 VanDerWaalsContact O-N 3.08Å; I94-L96 VanDerWaalsContact C-N 3.35Å; I94-L96 PolarHBondContact O-N 3.23Å; L96-G99 PolarHBondContact O-N 3.23Å; L96-A100 WeakPolarHBondContact O-CB 3.32Å; L96-A100 PolarHBondContact O-N 2.92Å; L96-L138 HydrophobicContact CB-CD1 3.61Å; L96-L138 HydrophobicContact CD1-CD1 4.24Å; L96-L138 HydrophobicContact CG-CD1 4.44Å; L96-R143 HydrophobicContact CD1-CG 4.31Å; L96-I146 HydrophobicContact CD2-CB 4.3Å; L96-I146 HydrophobicContact CD2-CD1 4.45Å; L96-I146 HydrophobicContact CD2-CG2 4.03Å; L96-V147 HydrophobicContact CD2-CG2 4.34Å |
| 97 | L | 94.6 | Very high | 92.1 | Very high | 18 Ų | 18 | 37.8 Ų | 37.8 | 9% | 0.094 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.4 | -45.6 | 176 | -66.7 | -177.3 | 0 | 0 | 0 | 111.8 | Y93 I94 G95 G99 A100 E101 F120 V122 F137 | Y93-L97 HydrophobicContact CD1-CD1 4.12Å; Y93-L97 HydrophobicContact CD1-CG 4.43Å; Y93-L97 HydrophobicContact CE1-CD1 3.7Å; Y93-L97 HydrophobicContact CE1-CD2 4.29Å; Y93-L97 HydrophobicContact CE1-CG 4.08Å; Y93-L97 HydrophobicContact CE2-CD2 4.09Å; Y93-L97 HydrophobicContact CE2-CG 4.29Å; Y93-L97 WeakPolarHBondContact O-CG 3.18Å; Y93-L97 PolarHBondContact O-N 3.37Å; I94-L97 PolarHBondContact O-N 3.07Å; G95-L97 PolarHBondContact O-N 3.43Å; L97-G99 VanDerWaalsContact C-N 3.29Å; L97-G99 PolarHBondContact O-N 3Å; L97-A100 WeakPolarHBondContact O-CB 3.49Å; L97-A100 PolarHBondContact O-N 3.45Å; L97-A100 VanDerWaalsContact O-N 3.11Å; L97-E101 PolarHBondContact O-N 2.92Å; L97-E101 VanDerWaalsContact O-N 3.08Å; L97-F120 HydrophobicContact CB-CE1 3.89Å; L97-F120 HydrophobicContact CB-CZ 4.13Å; L97-F120 HydrophobicContact CD1-CZ 4.45Å; L97-F120 HydrophobicContact CD2-CE1 3.98Å; L97-F120 HydrophobicContact CD2-CE2 4.45Å; L97-F120 HydrophobicContact CD2-CZ 3.7Å; L97-F120 HydrophobicContact CG-CE1 4.47Å; L97-F120 HydrophobicContact CG-CZ 4.3Å; L97-F120 WeakPolarHBondContact O-CE1 3.37Å; L97-V122 HydrophobicContact CB-CG2 4.36Å; L97-F137 HydrophobicContact CD2-CD1 3.83Å; L97-F137 HydrophobicContact CD2-CE1 3.57Å |
| 98 | T | 93.4 | Very high | 92 | Very high | 39 Ų | 39 | 40 Ų | 40 | 24% | 0.239 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.9 | -40.5 | 175.2 | 56.1 | 0 | 0 | 0 | 0 | 112 | I94 G95 A100 E101 E102 V122 | I94-T98 WeakPolarHBondContact O-CG2 3.29Å; I94-T98 PolarHBondContact O-N 3.05Å; I94-T98 PolarHBondContact O-OG1 2.99Å; G95-T98 WeakPolarHBondContact CA-OG1 3.31Å; G95-T98 PolarHBondContact O-N 3.35Å; G95-T98 PolarHBondContact O-OG1 2.62Å; T98-A100 VanDerWaalsContact C-N 3.34Å; T98-A100 PolarHBondContact O-N 3.23Å; T98-E101 PolarHBondContact O-N 3.09Å; T98-E102 PolarHBondContact O-N 3.23Å; T98-V122 HydrophobicContact CG2-CG2 4.38Å |
| 99 | G | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.4 | -29.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | G95 L96 L97 E101 E102 L103 | G95-G99 PolarHBondContact O-N 3.06Å; L96-G99 PolarHBondContact O-N 3.23Å; L97-G99 VanDerWaalsContact C-N 3.29Å; L97-G99 PolarHBondContact O-N 3Å; G99-E101 VanDerWaalsContact C-N 3.33Å; G99-E102 PolarHBondContact O-N 2.97Å; G99-L103 WeakPolarHBondContact O-CB 3.49Å; G99-L103 PolarHBondContact O-N 3.15Å |
| 100 | A | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.7 | -35.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L96 L97 T98 R104 I105 F120 L138 I146 | L96-A100 WeakPolarHBondContact O-CB 3.32Å; L96-A100 PolarHBondContact O-N 2.92Å; L97-A100 WeakPolarHBondContact O-CB 3.49Å; L97-A100 PolarHBondContact O-N 3.45Å; L97-A100 VanDerWaalsContact O-N 3.11Å; T98-A100 VanDerWaalsContact C-N 3.34Å; T98-A100 PolarHBondContact O-N 3.23Å; A100-R104 PolarHBondContact O-N 3.42Å; A100-R104 VanDerWaalsContact O-N 3.17Å; A100-I105 HydrophobicContact CB-CB 4.42Å; A100-I105 HydrophobicContact CB-CD1 3.98Å; A100-I105 HydrophobicContact CB-CG1 4.41Å; A100-I105 PolarHBondContact O-N 2.95Å; A100-F120 HydrophobicContact CB-CD1 3.85Å; A100-F120 HydrophobicContact CB-CE1 4.42Å; A100-L138 HydrophobicContact CB-CD2 4.36Å; A100-I146 HydrophobicContact CB-CD1 4.11Å |
| 101 | E | 93 | Very high | 91.3 | Very high | 68 Ų | 68 | 46.9 Ų | 46.9 | 32% | 0.318 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.7 | -45.1 | 172.1 | 178.2 | 168.8 | -128.8 | 0 | 0 | 111.5 | L97 T98 G99 L103 R104 F120 S121 V122 | L97-E101 PolarHBondContact O-N 2.92Å; L97-E101 VanDerWaalsContact O-N 3.08Å; T98-E101 PolarHBondContact O-N 3.09Å; G99-E101 VanDerWaalsContact C-N 3.33Å; E101-L103 VanDerWaalsContact C-N 3.32Å; E101-L103 PolarHBondContact O-N 2.7Å; E101-R104 PolarHBondContact O-N 2.6Å; E101-F120 HydrophobicContact CB-CD1 4.28Å; E101-S121 WeakPolarHBondContact OE1-CA 3.44Å; E101-S121 WeakPolarHBondContact OE1-CB 3.25Å; E101-S121 PolarHBondContact OE1-OG 3.08Å; E101-V122 HydrophobicContact CB-CG2 4.18Å; E101-V122 PolarHBondContact OE1-N 2.94Å; E101-V122 VanDerWaalsContact OE2-CG2 3.27Å; E101-V122 WeakPolarHBondContact OE2-CG2 3.43Å |
| 102 | E | 90 | Very high | 90.9 | Very high | 108 Ų | 108 | 54.2 Ų | 54.2 | 51% | 0.505 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 176.1 | -73.8 | -175.8 | 177.9 | 0 | 0 | 112.7 | T98 G99 R104 H149 F150 | T98-E102 PolarHBondContact O-N 3.23Å; G99-E102 PolarHBondContact O-N 2.97Å; E102-R104 PolarHBondContact O-N 2.89Å; E102-H149 IonicContact OE2-CE1 3.81Å; E102-H149 PolarHBondContact OE2-CE1 2.82Å; E102-H149 IonicContact OE2-ND1 2.78Å; E102-H149 PolarHBondContact OE2-ND1 3.05Å; E102-F150 WeakPolarHBondContact OE2-CE1 3.36Å |
| 103 | L | 89.5 | Confident | 90.4 | Very high | 64 Ų | 64 | 53.9 Ų | 53.9 | 34% | 0.335 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -1 | 176.7 | -72.2 | 179.9 | 0 | 0 | 0 | 113.7 | G99 E101 I105 I146 H149 | G99-L103 WeakPolarHBondContact O-CB 3.49Å; G99-L103 PolarHBondContact O-N 3.15Å; E101-L103 VanDerWaalsContact C-N 3.32Å; E101-L103 PolarHBondContact O-N 2.7Å; L103-I105 VanDerWaalsContact C-N 3.25Å; L103-I105 HydrophobicContact CB-CD1 4.32Å; L103-I105 HydrophobicContact CB-CG1 3.87Å; L103-I105 PolarHBondContact O-N 3.35Å; L103-I146 HydrophobicContact CD1-CB 4.45Å; L103-I146 HydrophobicContact CD1-CG1 3.84Å; L103-H149 HydrophobicContact CD1-CB 4.05Å; L103-H149 HydrophobicContact CD2-CB 3.95Å; L103-H149 HydrophobicContact CG-CB 4.2Å |
| 104 | R | 89.2 | Confident | 89.8 | Confident | 139 Ų | 139 | 51.5 Ų | 51.5 | 53% | 0.525 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 43.4 | -177.8 | -56.5 | -176.4 | -176.3 | -174.4 | -2.7 | 112.8 | A100 E101 E102 K106 E119 | A100-R104 PolarHBondContact O-N 3.42Å; A100-R104 VanDerWaalsContact O-N 3.17Å; E101-R104 PolarHBondContact O-N 2.6Å; E102-R104 PolarHBondContact O-N 2.89Å; R104-K106 PolarHBondContact O-N 3.38Å; R104-E119 HydrophobicContact CB-CG 4.32Å |
| 105 | I | 91.3 | Very high | 89.5 | Confident | 24 Ų | 24 | 45.6 Ų | 45.6 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | trans | -66 | 126.8 | -178.9 | -58.3 | -178.3 | 0 | 0 | 0 | 108.7 | A100 L103 K107 F120 E142 I146 | A100-I105 HydrophobicContact CB-CB 4.42Å; A100-I105 HydrophobicContact CB-CD1 3.98Å; A100-I105 HydrophobicContact CB-CG1 4.41Å; A100-I105 PolarHBondContact O-N 2.95Å; L103-I105 VanDerWaalsContact C-N 3.25Å; L103-I105 HydrophobicContact CB-CD1 4.32Å; L103-I105 HydrophobicContact CB-CG1 3.87Å; L103-I105 PolarHBondContact O-N 3.35Å; I105-K107 HydrophobicContact CG2-CD 4.34Å; I105-K107 HydrophobicContact CG2-CG 4.44Å; I105-F120 VanDerWaalsContact O-CB 3.27Å; I105-F120 WeakPolarHBondContact O-CB 3.46Å; I105-F120 PolarHBondContact O-N 3.3Å; I105-E142 HydrophobicContact CD1-CB 4.29Å; I105-E142 HydrophobicContact CD1-CG 4.48Å; I105-I146 HydrophobicContact CD1-CD1 3.93Å; I105-I146 HydrophobicContact CD1-CG1 4.05Å | ||
| 106 | K | 90.6 | Very high | 89.2 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 126.1 | 179.1 | -68.8 | 174.6 | 176.6 | 173.6 | 0 | 111.1 | R104 R118 E119 D295 | R104-K106 PolarHBondContact O-N 3.38Å; K106-R118 CarbonylContact C-O 3.55Å; K106-R118 VanDerWaalsContact CA-O 3.22Å; K106-R118 WeakPolarHBondContact CA-O 3.44Å; K106-E119 HydrophobicContact CG-CG 3.98Å; K106-D295 IonicContact NZ-OD2 2.84Å; K106-D295 PolarHBondContact NZ-OD2 3.22Å |
| 107 | K | 92.2 | Very high | 88.9 | Confident | 19 Ų | 19 | 50 Ų | 50 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 158.4 | -177.6 | -65.5 | -65.5 | -175.4 | -174.3 | 0 | 112 | I105 L117 R118 F120 F128 F137 E142 | I105-K107 HydrophobicContact CG2-CD 4.34Å; I105-K107 HydrophobicContact CG2-CG 4.44Å; K107-L117 WeakPolarHBondContact O-CA 3.42Å; K107-R118 PolarHBondContact N-O 3.26Å; K107-R118 PolarHBondContact O-N 3.3Å; K107-F120 HydrophobicContact CG-CB 4.26Å; K107-F128 HydrophobicContact CB-CD1 3.74Å; K107-F128 HydrophobicContact CB-CE1 4.21Å; K107-F137 HydrophobicContact CB-CE2 3.93Å; K107-F137 HydrophobicContact CB-CZ 4.03Å; K107-F137 HydrophobicContact CD-CE2 4.03Å; K107-F137 HydrophobicContact CD-CZ 4.1Å; K107-F137 VanDerWaalsContact CE-O 3.29Å; K107-F137 WeakPolarHBondContact CE-O 3.4Å; K107-F137 HydrophobicContact CG-CE1 4.37Å; K107-F137 HydrophobicContact CG-CE2 3.82Å; K107-F137 HydrophobicContact CG-CZ 3.59Å; K107-F137 PolarHBondContact NZ-O 3.2Å; K107-E142 VanDerWaalsContact NZ-CD 3.26Å; K107-E142 IonicContact NZ-OE1 2.89Å; K107-E142 PolarHBondContact NZ-OE1 3.29Å; K107-E142 IonicContact NZ-OE2 3.39Å; K107-E142 PolarHBondContact NZ-OE2 3.49Å |
| 108 | S | 90.2 | Very high | 88.5 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 34% | 0.336 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 129.5 | 179.3 | 42 | 0 | 0 | 0 | 0 | 111 | G116 F128 D129 | S108-G116 CarbonylContact C-O 3.59Å; S108-G116 WeakPolarHBondContact CA-O 3.2Å; S108-F128 WeakPolarHBondContact O-CA 3.24Å; S108-D129 PolarHBondContact O-N 2.86Å |
| 109 | L | 90 | Very high | 88.3 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -79.1 | 152.7 | 168.8 | -66 | 173.9 | 0 | 0 | 0 | 110.8 | G116 R118 L127 F128 | L109-G116 PolarHBondContact N-O 2.83Å; L109-R118 HydrophobicContact CD1-CB 3.87Å; L109-R118 HydrophobicContact CD2-CB 4.18Å; L109-R118 HydrophobicContact CG-CB 3.95Å; L109-L127 WeakPolarHBondContact CA-O 3.23Å; L109-L127 HydrophobicContact CD2-CB 4.02Å; L109-F128 HydrophobicContact CD2-CD1 3.79Å; L109-F128 HydrophobicContact CD2-CE1 3.73Å; L109-F128 HydrophobicContact CD2-CG 4.24Å; L109-F128 HydrophobicContact CD2-CZ 4.11Å |
| 110 | L | 88.5 | Confident | 88.2 | Confident | 47 Ų | 47 | 56.5 Ų | 56.5 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 146.2 | 169.4 | -69.5 | 170.7 | 0 | 0 | 0 | 110.7 | E112 H113 G115 S126 L127 D129 | L110-E112 PolarHBondContact O-N 2.77Å; L110-E112 VanDerWaalsContact O-N 3.16Å; L110-H113 PolarHBondContact O-N 2.64Å; L110-H113 VanDerWaalsContact O-N 3.12Å; L110-G115 PolarHBondContact O-N 3.32Å; L110-S126 VanDerWaalsContact CD1-O 3.28Å; L110-S126 WeakPolarHBondContact CD1-O 3.28Å; L110-L127 PolarHBondContact N-O 2.97Å; L110-D129 HydrophobicContact CD2-CB 4.17Å |
| 111 | P | 84.4 | Confident | 88.1 | Confident | 109 Ų | 109 | 57.7 Ų | 57.7 | 71% | 0.708 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -55.7 | -32.3 | 179.7 | -26.6 | 34.8 | 0 | 0 | 0 | 114.2 | H113 G114 | P111-H113 VanDerWaalsContact C-N 3.32Å; P111-H113 PolarHBondContact O-N 3.41Å; P111-G114 PolarHBondContact O-N 2.99Å |
| 112 | E | 82.9 | Confident | 88 | Confident | 161 Ų | 161 | 56.4 Ų | 56.4 | 75% | 0.752 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -65.2 | -33.6 | -179.8 | -60.9 | 176.1 | -177.4 | 0 | 0 | 112.3 | L110 G114 | L110-E112 PolarHBondContact O-N 2.77Å; L110-E112 VanDerWaalsContact O-N 3.16Å; E112-G114 PolarHBondContact O-N 3.21Å |
| 113 | H | 81.7 | Confident | 87.9 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 22% | 0.218 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -90.1 | 24.3 | -179.7 | -57.5 | 114.7 | 0 | 0 | 0 | 113 | L110 P111 G115 L127 | L110-H113 PolarHBondContact O-N 2.64Å; L110-H113 VanDerWaalsContact O-N 3.12Å; P111-H113 VanDerWaalsContact C-N 3.32Å; P111-H113 PolarHBondContact O-N 3.41Å; H113-G115 VanDerWaalsContact C-N 3.29Å; H113-G115 PolarHBondContact O-N 3.14Å; H113-L127 VanDerWaalsContact CE1-CD2 3.49Å; H113-L127 WeakPolarHBondContact CE1-CD2 3.42Å; H113-L127 WeakPolarHBondContact NE2-CD2 3.36Å |
| 114 | G | 79.6 | Confident | 87.8 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -8.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P111 E112 | P111-G114 PolarHBondContact O-N 2.99Å; E112-G114 PolarHBondContact O-N 3.21Å |
| 115 | G | 85 | Confident | 87.7 | Confident | 4 Ų | 4 | 56.7 Ų | 56.7 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | trans | 65.2 | -165.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L110 H113 L735 | L110-G115 PolarHBondContact O-N 3.32Å; H113-G115 VanDerWaalsContact C-N 3.29Å; H113-G115 PolarHBondContact O-N 3.14Å; G115-L735 VanDerWaalsContact O-CD1 3.3Å; G115-L735 WeakPolarHBondContact O-CD1 3.46Å | ||
| 116 | G | 85.4 | Confident | 87.5 | Confident | 29 Ų | 29 | 59.3 Ų | 59.3 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 71.9 | -167.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S108 L109 | S108-G116 CarbonylContact C-O 3.59Å; S108-G116 WeakPolarHBondContact CA-O 3.2Å; L109-G116 PolarHBondContact N-O 2.83Å |
| 117 | L | 87.9 | Confident | 87.4 | Confident | 64 Ų | 64 | 58.8 Ų | 58.8 | 34% | 0.335 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126 | -168.2 | -65.4 | 158.9 | 0 | 0 | 0 | 111.5 | K107 S292 R739 | K107-L117 WeakPolarHBondContact O-CA 3.42Å; L117-S292 WeakPolarHBondContact CD1-OG 3.41Å; L117-R739 PolarHBondContact O-NH2 2.99Å |
| 118 | R | 87.1 | Confident | 87.4 | Confident | 97 Ų | 97 | 58.1 Ų | 58.1 | 37% | 0.366 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 149.4 | 175.3 | -174.2 | 179 | 175.5 | -162.6 | -8.1 | 109.8 | K106 K107 L109 F120 E124 F128 | K106-R118 CarbonylContact C-O 3.55Å; K106-R118 VanDerWaalsContact CA-O 3.22Å; K106-R118 WeakPolarHBondContact CA-O 3.44Å; K107-R118 PolarHBondContact N-O 3.26Å; K107-R118 PolarHBondContact O-N 3.3Å; L109-R118 HydrophobicContact CD1-CB 3.87Å; L109-R118 HydrophobicContact CD2-CB 4.18Å; L109-R118 HydrophobicContact CG-CB 3.95Å; R118-F120 PolarHBondContact O-N 3.32Å; R118-E124 IonicContact CZ-OE2 2.76Å; R118-E124 IonicContact NH1-OE2 3.58Å; R118-E124 PolarHBondContact NH1-OE2 3.36Å; R118-E124 IonicContact NH2-OE1 3.44Å; R118-E124 PolarHBondContact NH2-OE1 3.33Å; R118-E124 IonicContact NH2-OE2 3.46Å; R118-E124 PolarHBondContact NH2-OE2 3.32Å; R118-F128 HydrophobicContact CB-CE1 4.23Å |
| 119 | E | 88.9 | Confident | 87.3 | Confident | 91 Ų | 91 | 58.4 Ų | 58.4 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 130.9 | 170.5 | -64.4 | -177.9 | 175.6 | 0 | 0 | 109.5 | R104 K106 F128 | R104-E119 HydrophobicContact CB-CG 4.32Å; K106-E119 HydrophobicContact CG-CG 3.98Å; E119-F128 VanDerWaalsContact O-CZ 3.29Å; E119-F128 WeakPolarHBondContact O-CZ 3.31Å |
| 120 | F | 91.5 | Very high | 87.2 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | trans | -66.8 | 137.4 | 179 | 179.8 | -106.3 | 0 | 0 | 0 | 110.7 | L97 A100 E101 I105 K107 R118 V122 F125 F128 F137 | L97-F120 HydrophobicContact CB-CE1 3.89Å; L97-F120 HydrophobicContact CB-CZ 4.13Å; L97-F120 HydrophobicContact CD1-CZ 4.45Å; L97-F120 HydrophobicContact CD2-CE1 3.98Å; L97-F120 HydrophobicContact CD2-CE2 4.45Å; L97-F120 HydrophobicContact CD2-CZ 3.7Å; L97-F120 HydrophobicContact CG-CE1 4.47Å; L97-F120 HydrophobicContact CG-CZ 4.3Å; L97-F120 WeakPolarHBondContact O-CE1 3.37Å; A100-F120 HydrophobicContact CB-CD1 3.85Å; A100-F120 HydrophobicContact CB-CE1 4.42Å; E101-F120 HydrophobicContact CB-CD1 4.28Å; I105-F120 VanDerWaalsContact O-CB 3.27Å; I105-F120 WeakPolarHBondContact O-CB 3.46Å; I105-F120 PolarHBondContact O-N 3.3Å; K107-F120 HydrophobicContact CG-CB 4.26Å; R118-F120 PolarHBondContact O-N 3.32Å; F120-V122 HydrophobicContact CE1-CG2 3.8Å; F120-V122 HydrophobicContact CZ-CG2 4.41Å; F120-F125 HydrophobicContact CE2-CB 4.44Å; F120-F125 HydrophobicContact CZ-CB 4.43Å; F120-F128 HydrophobicContact CD2-CD1 4.27Å; F120-F128 AromaticContact CD2-CD2 3.78Å; F120-F128 HydrophobicContact CD2-CD2 3.78Å; F120-F128 HydrophobicContact CD2-CE1 4.32Å; F120-F128 AromaticContact CD2-CE2 3.85Å; F120-F128 HydrophobicContact CD2-CE2 3.85Å; F120-F128 HydrophobicContact CD2-CG 4.02Å; F120-F128 HydrophobicContact CD2-CZ 4.13Å; F120-F128 AromaticContact CE2-CD2 3.96Å; F120-F128 HydrophobicContact CE2-CD2 3.96Å; F120-F128 HydrophobicContact CE2-CE2 4.28Å; F120-F128 HydrophobicContact CE2-CG 4.39Å; F120-F137 HydrophobicContact CD2-CE1 4.07Å; F120-F137 AromaticContact CD2-CZ 3.52Å; F120-F137 HydrophobicContact CD2-CZ 3.52Å; F120-F137 AromaticContact CE2-CE1 3.91Å; F120-F137 HydrophobicContact CE2-CE1 3.91Å; F120-F137 AromaticContact CE2-CZ 3.59Å; F120-F137 HydrophobicContact CE2-CZ 3.59Å; F120-F137 HydrophobicContact CG-CZ 4.28Å; F120-F137 HydrophobicContact CZ-CE1 4.31Å; F120-F137 HydrophobicContact CZ-CZ 4.43Å | ||
| 121 | S | 91.4 | Very high | 87.2 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 18% | 0.175 | 32% | 0.32 | C | S | . | . | trans | -133.5 | 137 | 170.5 | 179.8 | 0 | 0 | 0 | 0 | 109.3 | E101 E124 F125 | E101-S121 WeakPolarHBondContact OE1-CA 3.44Å; E101-S121 WeakPolarHBondContact OE1-CB 3.25Å; E101-S121 PolarHBondContact OE1-OG 3.08Å; S121-E124 CarbonylContact O-C 3.6Å; S121-E124 PolarHBondContact O-N 3Å; S121-F125 PolarHBondContact O-N 3.37Å | ||
| 122 | V | 89.8 | Confident | 87.3 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 25% | 0.248 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -69.5 | -36.9 | -177.7 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | L97 T98 E101 F120 E124 F125 | L97-V122 HydrophobicContact CB-CG2 4.36Å; T98-V122 HydrophobicContact CG2-CG2 4.38Å; E101-V122 HydrophobicContact CB-CG2 4.18Å; E101-V122 PolarHBondContact OE1-N 2.94Å; E101-V122 VanDerWaalsContact OE2-CG2 3.27Å; E101-V122 WeakPolarHBondContact OE2-CG2 3.43Å; F120-V122 HydrophobicContact CE1-CG2 3.8Å; F120-V122 HydrophobicContact CZ-CG2 4.41Å; V122-E124 PolarHBondContact O-N 3.49Å; V122-F125 WeakPolarHBondContact O-CB 3.48Å; V122-F125 WeakPolarHBondContact O-CD1 3.28Å; V122-F125 PolarHBondContact O-N 2.96Å |
| 123 | D | 88.2 | Confident | 87.6 | Confident | 147 Ų | 147 | 58.4 Ų | 58.4 | 79% | 0.786 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -34.2 | 179.6 | -66.2 | -24.5 | 0 | 0 | 0 | 112 | ||
| 124 | E | 87.4 | Confident | 87.8 | Confident | 71 Ų | 71 | 59.1 Ų | 59.1 | 33% | 0.332 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 28.6 | -177.9 | -64.1 | -177.9 | -173.5 | 0 | 0 | 112.3 | R118 S121 V122 S126 L127 F128 | R118-E124 IonicContact CZ-OE2 2.76Å; R118-E124 IonicContact NH1-OE2 3.58Å; R118-E124 PolarHBondContact NH1-OE2 3.36Å; R118-E124 IonicContact NH2-OE1 3.44Å; R118-E124 PolarHBondContact NH2-OE1 3.33Å; R118-E124 IonicContact NH2-OE2 3.46Å; R118-E124 PolarHBondContact NH2-OE2 3.32Å; S121-E124 CarbonylContact O-C 3.6Å; S121-E124 PolarHBondContact O-N 3Å; V122-E124 PolarHBondContact O-N 3.49Å; E124-S126 PolarHBondContact O-N 3.27Å; E124-S126 VanDerWaalsContact O-N 3.11Å; E124-L127 HydrophobicContact CB-CD1 3.8Å; E124-L127 HydrophobicContact CB-CG 4.12Å; E124-L127 HydrophobicContact CG-CD1 4.19Å; E124-L127 WeakPolarHBondContact O-CB 3.36Å; E124-L127 PolarHBondContact O-N 3.05Å; E124-L127 WeakPolarHBondContact OE2-CD1 3.1Å; E124-F128 WeakPolarHBondContact O-CD2 3.37Å; E124-F128 WeakPolarHBondContact O-CE2 3.38Å |
| 125 | F | 88.1 | Confident | 88 | Confident | 99 Ų | 99 | 67.1 Ų | 67.1 | 43% | 0.434 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -58.3 | -31.1 | -172.6 | 79.4 | -88.2 | 0 | 0 | 0 | 113.3 | F120 S121 V122 L127 F128 V131 | F120-F125 HydrophobicContact CE2-CB 4.44Å; F120-F125 HydrophobicContact CZ-CB 4.43Å; S121-F125 PolarHBondContact O-N 3.37Å; V122-F125 WeakPolarHBondContact O-CB 3.48Å; V122-F125 WeakPolarHBondContact O-CD1 3.28Å; V122-F125 PolarHBondContact O-N 2.96Å; F125-L127 PolarHBondContact O-N 3.06Å; F125-F128 PolarHBondContact O-N 2.88Å; F125-V131 HydrophobicContact CB-CG1 4.23Å; F125-V131 HydrophobicContact CD2-CG1 3.98Å; F125-V131 WeakPolarHBondContact O-CG2 3.49Å |
| 126 | S | 87 | Confident | 88.1 | Confident | 79 Ų | 79 | 72.6 Ų | 72.6 | 55% | 0.552 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -65.4 | -17 | 179.2 | 58.2 | 0 | 0 | 0 | 0 | 114.2 | L110 E124 F128 | L110-S126 VanDerWaalsContact CD1-O 3.28Å; L110-S126 WeakPolarHBondContact CD1-O 3.28Å; E124-S126 PolarHBondContact O-N 3.27Å; E124-S126 VanDerWaalsContact O-N 3.11Å; S126-F128 VanDerWaalsContact C-N 3.33Å |
| 127 | L | 88.6 | Confident | 88.4 | Confident | 34 Ų | 34 | 71.6 Ų | 71.6 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -79.3 | -18.2 | 179.5 | -56 | -173.9 | 0 | 0 | 0 | 113.1 | L109 L110 H113 E124 F125 | L109-L127 WeakPolarHBondContact CA-O 3.23Å; L109-L127 HydrophobicContact CD2-CB 4.02Å; L110-L127 PolarHBondContact N-O 2.97Å; H113-L127 VanDerWaalsContact CE1-CD2 3.49Å; H113-L127 WeakPolarHBondContact CE1-CD2 3.42Å; H113-L127 WeakPolarHBondContact NE2-CD2 3.36Å; E124-L127 HydrophobicContact CB-CD1 3.8Å; E124-L127 HydrophobicContact CB-CG 4.12Å; E124-L127 HydrophobicContact CG-CD1 4.19Å; E124-L127 WeakPolarHBondContact O-CB 3.36Å; E124-L127 PolarHBondContact O-N 3.05Å; E124-L127 WeakPolarHBondContact OE2-CD1 3.1Å; F125-L127 PolarHBondContact O-N 3.06Å |
| 128 | F | 91.2 | Very high | 88.7 | Confident | 6 Ų | 6 | 68.7 Ų | 68.7 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -93.8 | 146.4 | -172.9 | -61.8 | -90.9 | 0 | 0 | 0 | 111.7 | K107 S108 L109 R118 E119 F120 E124 F125 S126 V131 F137 | K107-F128 HydrophobicContact CB-CD1 3.74Å; K107-F128 HydrophobicContact CB-CE1 4.21Å; S108-F128 WeakPolarHBondContact O-CA 3.24Å; L109-F128 HydrophobicContact CD2-CD1 3.79Å; L109-F128 HydrophobicContact CD2-CE1 3.73Å; L109-F128 HydrophobicContact CD2-CG 4.24Å; L109-F128 HydrophobicContact CD2-CZ 4.11Å; R118-F128 HydrophobicContact CB-CE1 4.23Å; E119-F128 VanDerWaalsContact O-CZ 3.29Å; E119-F128 WeakPolarHBondContact O-CZ 3.31Å; F120-F128 HydrophobicContact CD2-CD1 4.27Å; F120-F128 AromaticContact CD2-CD2 3.78Å; F120-F128 HydrophobicContact CD2-CD2 3.78Å; F120-F128 HydrophobicContact CD2-CE1 4.32Å; F120-F128 AromaticContact CD2-CE2 3.85Å; F120-F128 HydrophobicContact CD2-CE2 3.85Å; F120-F128 HydrophobicContact CD2-CG 4.02Å; F120-F128 HydrophobicContact CD2-CZ 4.13Å; F120-F128 AromaticContact CE2-CD2 3.96Å; F120-F128 HydrophobicContact CE2-CD2 3.96Å; F120-F128 HydrophobicContact CE2-CE2 4.28Å; F120-F128 HydrophobicContact CE2-CG 4.39Å; E124-F128 WeakPolarHBondContact O-CD2 3.37Å; E124-F128 WeakPolarHBondContact O-CE2 3.38Å; F125-F128 PolarHBondContact O-N 2.88Å; S126-F128 VanDerWaalsContact C-N 3.33Å; F128-V131 HydrophobicContact CB-CG2 3.3Å; F128-V131 HydrophobicContact CG-CG2 4.49Å; F128-V131 VanDerWaalsContact O-CG2 3.26Å; F128-V131 WeakPolarHBondContact O-CG2 3.31Å; F128-F137 HydrophobicContact CB-CE2 4.14Å |
| 129 | D | 88.7 | Confident | 88.9 | Confident | 54 Ų | 54 | 65 Ų | 65 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 144.8 | 179.9 | -171.4 | 26.7 | 0 | 0 | 0 | 111.5 | S108 L110 V131 F137 | S108-D129 PolarHBondContact O-N 2.86Å; L110-D129 HydrophobicContact CD2-CB 4.17Å; D129-V131 PolarHBondContact O-N 3.33Å; D129-V131 VanDerWaalsContact O-N 3.1Å; D129-F137 WeakPolarHBondContact O-CD2 3.44Å |
| 130 | N | 88.9 | Confident | 89 | Confident | 78 Ų | 78 | 61.7 Ų | 61.7 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 18.5 | 178 | -56.9 | -57.3 | 0 | 0 | 0 | 116.8 | M132 D133 L136 | N130-M132 PolarHBondContact O-N 2.85Å; N130-M132 VanDerWaalsContact O-N 3.14Å; N130-D133 PolarHBondContact O-N 3.16Å; N130-L136 HydrophobicContact CB-CB 4.24Å |
| 131 | V | 87.9 | Confident | 89.1 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 6% | 0.061 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.8 | -177.3 | -179.7 | 0 | 0 | 0 | 0 | 113.3 | Y93 F125 F128 D129 D133 F137 | Y93-V131 PolarHBondContact OH-O 3.34Å; F125-V131 HydrophobicContact CB-CG1 4.23Å; F125-V131 HydrophobicContact CD2-CG1 3.98Å; F125-V131 WeakPolarHBondContact O-CG2 3.49Å; F128-V131 HydrophobicContact CB-CG2 3.3Å; F128-V131 HydrophobicContact CG-CG2 4.49Å; F128-V131 VanDerWaalsContact O-CG2 3.26Å; F128-V131 WeakPolarHBondContact O-CG2 3.31Å; D129-V131 PolarHBondContact O-N 3.33Å; D129-V131 VanDerWaalsContact O-N 3.1Å; V131-D133 PolarHBondContact O-N 2.8Å; V131-F137 HydrophobicContact CB-CD2 4.48Å; V131-F137 HydrophobicContact CG2-CD2 3.94Å; V131-F137 HydrophobicContact CG2-CE2 3.58Å; V131-F137 HydrophobicContact CG2-CZ 3.99Å |
| 132 | M | 86.9 | Confident | 89.3 | Confident | 170 Ų | 170 | 61.6 Ų | 61.6 | 84% | 0.837 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17.1 | 177.7 | -57.8 | -55.5 | -68.4 | 0 | 0 | 112.8 | N130 | N130-M132 PolarHBondContact O-N 2.85Å; N130-M132 VanDerWaalsContact O-N 3.14Å |
| 133 | D | 88.5 | Confident | 89.5 | Confident | 70 Ų | 70 | 61 Ų | 61 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | trans | -107.2 | 106.8 | 179 | -171.2 | -17.8 | 0 | 0 | 0 | 110.7 | N130 V131 K135 L136 F137 | N130-D133 PolarHBondContact O-N 3.16Å; V131-D133 PolarHBondContact O-N 2.8Å; D133-K135 PolarHBondContact O-N 2.85Å; D133-K135 PolarHBondContact OD1-N 2.69Å; D133-L136 HydrophobicContact CB-CB 4.16Å; D133-L136 HydrophobicContact CB-CD1 4.26Å; D133-L136 HydrophobicContact CB-CG 4.37Å; D133-L136 PolarHBondContact O-N 2.84Å; D133-L136 WeakPolarHBondContact OD2-CD1 3.45Å; D133-L136 WeakPolarHBondContact OD2-CG 3.5Å; D133-F137 WeakPolarHBondContact O-CB 3.46Å; D133-F137 PolarHBondContact O-N 3.12Å | ||
| 134 | E | 85.5 | Confident | 89.8 | Confident | 63 Ų | 63 | 54 Ų | 54 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -52.8 | -41.5 | 178.4 | 175.1 | 179.6 | 167.4 | 0 | 0 | 112.8 | Y93 L138 R143 | Y93-E134 HydrophobicContact CD2-CB 3.7Å; Y93-E134 HydrophobicContact CD2-CG 3.53Å; Y93-E134 HydrophobicContact CE2-CB 3.68Å; Y93-E134 HydrophobicContact CE2-CG 3.78Å; Y93-E134 HydrophobicContact CG-CB 4.4Å; Y93-E134 HydrophobicContact CG-CG 4.47Å; E134-L138 PolarHBondContact O-N 3.26Å; E134-R143 IonicContact OE1-CZ 3.97Å; E134-R143 VanDerWaalsContact OE1-CZ 3.28Å; E134-R143 IonicContact OE1-NH1 3.77Å; E134-R143 PolarHBondContact OE1-NH1 2.68Å; E134-R143 IonicContact OE1-NH2 3.71Å; E134-R143 PolarHBondContact OE1-NH2 2.69Å |
| 135 | K | 84.4 | Confident | 90.1 | Very high | 172 Ų | 172 | 52.3 Ų | 52.3 | 75% | 0.748 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -76.6 | -33 | -171.7 | -66.7 | -174.7 | 178.5 | -175.8 | 0 | 112.5 | D133 | D133-K135 PolarHBondContact O-N 2.85Å; D133-K135 PolarHBondContact OD1-N 2.69Å |
| 136 | L | 87.2 | Confident | 90.4 | Very high | 119 Ų | 119 | 47.6 Ų | 47.6 | 62% | 0.623 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -83.5 | -34 | 177.3 | -66.7 | 178.3 | 0 | 0 | 0 | 111.6 | N130 D133 | N130-L136 HydrophobicContact CB-CB 4.24Å; D133-L136 HydrophobicContact CB-CB 4.16Å; D133-L136 HydrophobicContact CB-CD1 4.26Å; D133-L136 HydrophobicContact CB-CG 4.37Å; D133-L136 PolarHBondContact O-N 2.84Å; D133-L136 WeakPolarHBondContact OD2-CD1 3.45Å; D133-L136 WeakPolarHBondContact OD2-CG 3.5Å |
| 137 | F | 92.3 | Very high | 90.8 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.2 | -47.8 | -176.1 | -170 | -115.7 | 0 | 0 | 0 | 112.9 | Y93 L97 K107 F120 F128 D129 V131 D133 | Y93-F137 WeakPolarHBondContact OH-CD1 3.33Å; L97-F137 HydrophobicContact CD2-CD1 3.83Å; L97-F137 HydrophobicContact CD2-CE1 3.57Å; K107-F137 HydrophobicContact CB-CE2 3.93Å; K107-F137 HydrophobicContact CB-CZ 4.03Å; K107-F137 HydrophobicContact CD-CE2 4.03Å; K107-F137 HydrophobicContact CD-CZ 4.1Å; K107-F137 VanDerWaalsContact CE-O 3.29Å; K107-F137 WeakPolarHBondContact CE-O 3.4Å; K107-F137 HydrophobicContact CG-CE1 4.37Å; K107-F137 HydrophobicContact CG-CE2 3.82Å; K107-F137 HydrophobicContact CG-CZ 3.59Å; K107-F137 PolarHBondContact NZ-O 3.2Å; F120-F137 HydrophobicContact CD2-CE1 4.07Å; F120-F137 AromaticContact CD2-CZ 3.52Å; F120-F137 HydrophobicContact CD2-CZ 3.52Å; F120-F137 AromaticContact CE2-CE1 3.91Å; F120-F137 HydrophobicContact CE2-CE1 3.91Å; F120-F137 AromaticContact CE2-CZ 3.59Å; F120-F137 HydrophobicContact CE2-CZ 3.59Å; F120-F137 HydrophobicContact CG-CZ 4.28Å; F120-F137 HydrophobicContact CZ-CE1 4.31Å; F120-F137 HydrophobicContact CZ-CZ 4.43Å; F128-F137 HydrophobicContact CB-CE2 4.14Å; D129-F137 WeakPolarHBondContact O-CD2 3.44Å; V131-F137 HydrophobicContact CB-CD2 4.48Å; V131-F137 HydrophobicContact CG2-CD2 3.94Å; V131-F137 HydrophobicContact CG2-CE2 3.58Å; V131-F137 HydrophobicContact CG2-CZ 3.99Å; D133-F137 WeakPolarHBondContact O-CB 3.46Å; D133-F137 PolarHBondContact O-N 3.12Å |
| 138 | L | 92.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -110.7 | 125.8 | -177 | -64.2 | 176.8 | 0 | 0 | 0 | 111.4 | Y93 L96 A100 E134 R143 I146 | Y93-L138 HydrophobicContact CE2-CD1 4.25Å; L96-L138 HydrophobicContact CB-CD1 3.61Å; L96-L138 HydrophobicContact CD1-CD1 4.24Å; L96-L138 HydrophobicContact CG-CD1 4.44Å; A100-L138 HydrophobicContact CB-CD2 4.36Å; E134-L138 PolarHBondContact O-N 3.26Å; L138-R143 HydrophobicContact CB-CG 3.85Å; L138-R143 HydrophobicContact CD1-CG 4.45Å; L138-I146 HydrophobicContact CD1-CD1 4.34Å; L138-I146 HydrophobicContact CD2-CD1 4.44Å |
| 139 | S | 92.3 | Very high | 91.2 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 13% | 0.126 | 23% | 0.231 | C | C | . | . | trans | -70.8 | 155.1 | 174.3 | 99.8 | 0 | 0 | 0 | 0 | 110.7 | S141 E142 R143 E218 | S139-S141 PolarHBondContact O-N 3.4Å; S139-S141 PolarHBondContact OG-N 3.49Å; S139-E142 PolarHBondContact N-OE2 2.71Å; S139-E142 PolarHBondContact O-N 3.18Å; S139-E142 VanDerWaalsContact O-N 3.09Å; S139-E142 WeakPolarHBondContact OG-CG 3.47Å; S139-E142 PolarHBondContact OG-N 3.1Å; S139-R143 WeakPolarHBondContact O-CG 3.41Å; S139-R143 PolarHBondContact O-N 3.24Å; S139-E218 WeakPolarHBondContact CB-O 3.49Å; S139-E218 PolarHBondContact OG-O 3.06Å | ||
| 140 | T | 91.7 | Very high | 91.4 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 14% | 0.141 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.6 | -33.9 | 177.5 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | S144 E192 E195 R650 | T140-S144 PolarHBondContact O-N 3.45Å; T140-S144 PolarHBondContact O-OG 3.26Å; T140-E192 WeakPolarHBondContact CG2-OE2 3.47Å; T140-E195 HydrophobicContact CG2-CG 4.3Å; T140-R650 VanDerWaalsContact C-NH2 3.27Å; T140-R650 PolarHBondContact OG1-NH2 3.13Å |
| 141 | S | 93.2 | Very high | 91.6 | Very high | 3 Ų | 3 | 40.6 Ų | 40.6 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.6 | -45.4 | 174.7 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | S139 S144 N145 E218 R650 G653 | S139-S141 PolarHBondContact O-N 3.4Å; S139-S141 PolarHBondContact OG-N 3.49Å; S141-S144 PolarHBondContact O-N 3.34Å; S141-S144 PolarHBondContact O-OG 3.03Å; S141-N145 WeakPolarHBondContact O-CB 3.07Å; S141-N145 VanDerWaalsContact O-CG 3.25Å; S141-N145 PolarHBondContact O-N 3.33Å; S141-N145 PolarHBondContact O-ND2 3.01Å; S141-E218 WeakPolarHBondContact CB-O 3.17Å; S141-E218 PolarHBondContact N-O 3.41Å; S141-R650 VanDerWaalsContact N-NH2 3.15Å; S141-G653 WeakPolarHBondContact OG-CA 3.38Å |
| 142 | E | 94.1 | Very high | 91.6 | Very high | 26 Ų | 26 | 41.4 Ų | 41.4 | 12% | 0.121 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | 178.3 | -68.3 | 167.6 | 163.8 | 0 | 0 | 111.9 | I105 K107 S139 S144 N145 I146 | I105-E142 HydrophobicContact CD1-CB 4.29Å; I105-E142 HydrophobicContact CD1-CG 4.48Å; K107-E142 VanDerWaalsContact NZ-CD 3.26Å; K107-E142 IonicContact NZ-OE1 2.89Å; K107-E142 PolarHBondContact NZ-OE1 3.29Å; K107-E142 IonicContact NZ-OE2 3.39Å; K107-E142 PolarHBondContact NZ-OE2 3.49Å; S139-E142 PolarHBondContact N-OE2 2.71Å; S139-E142 PolarHBondContact O-N 3.18Å; S139-E142 VanDerWaalsContact O-N 3.09Å; S139-E142 WeakPolarHBondContact OG-CG 3.47Å; S139-E142 PolarHBondContact OG-N 3.1Å; E142-S144 VanDerWaalsContact C-N 3.33Å; E142-S144 PolarHBondContact O-N 2.83Å; E142-N145 WeakPolarHBondContact O-CB 3.45Å; E142-N145 PolarHBondContact O-N 3.08Å; E142-N145 VanDerWaalsContact O-N 3.15Å; E142-I146 WeakPolarHBondContact O-CD1 3.42Å; E142-I146 VanDerWaalsContact O-CG1 3.28Å; E142-I146 WeakPolarHBondContact O-CG1 3.1Å; E142-I146 PolarHBondContact O-N 2.98Å |
| 143 | R | 94.3 | Very high | 91.7 | Very high | 27 Ų | 27 | 34.8 Ų | 34.8 | 10% | 0.102 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55 | -49.6 | 174.2 | -69.8 | 176.4 | 60.8 | 157.8 | 19.9 | 111.8 | D44 L96 E134 L138 S139 N145 I146 V147 | D44-R143 IonicContact OD1-CZ 3.42Å; D44-R143 IonicContact OD1-NE 2.6Å; D44-R143 PolarHBondContact OD1-NE 3.22Å; D44-R143 IonicContact OD1-NH2 3.28Å; D44-R143 IonicContact OD2-NE 3.23Å; D44-R143 IonicContact OD2-NH2 2.95Å; L96-R143 HydrophobicContact CD1-CG 4.31Å; E134-R143 IonicContact OE1-CZ 3.97Å; E134-R143 VanDerWaalsContact OE1-CZ 3.28Å; E134-R143 IonicContact OE1-NH1 3.77Å; E134-R143 PolarHBondContact OE1-NH1 2.68Å; E134-R143 IonicContact OE1-NH2 3.71Å; E134-R143 PolarHBondContact OE1-NH2 2.69Å; L138-R143 HydrophobicContact CB-CG 3.85Å; L138-R143 HydrophobicContact CD1-CG 4.45Å; S139-R143 WeakPolarHBondContact O-CG 3.41Å; S139-R143 PolarHBondContact O-N 3.24Å; R143-N145 VanDerWaalsContact C-N 3.28Å; R143-N145 PolarHBondContact O-N 3.2Å; R143-I146 PolarHBondContact O-N 3.47Å; R143-V147 WeakPolarHBondContact O-CG2 3.49Å; R143-V147 PolarHBondContact O-N 2.9Å |
| 144 | S | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.7 | -35.4 | 179.5 | 76.3 | 0 | 0 | 0 | 0 | 112.6 | V45 T140 S141 E142 H148 | V45-S144 WeakPolarHBondContact CG2-O 3.41Å; T140-S144 PolarHBondContact O-N 3.45Å; T140-S144 PolarHBondContact O-OG 3.26Å; S141-S144 PolarHBondContact O-N 3.34Å; S141-S144 PolarHBondContact O-OG 3.03Å; E142-S144 VanDerWaalsContact C-N 3.33Å; E142-S144 PolarHBondContact O-N 2.83Å; S144-H148 VanDerWaalsContact O-CB 3.23Å; S144-H148 WeakPolarHBondContact O-CB 3.45Å; S144-H148 PolarHBondContact O-N 3.25Å |
| 145 | N | 94.5 | Very high | 91.7 | Very high | 36 Ų | 36 | 32.3 Ų | 32.3 | 19% | 0.193 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.3 | -38 | 176.3 | -74.5 | -17.4 | 0 | 0 | 0 | 112.4 | S141 E142 R143 H148 H149 G653 | S141-N145 WeakPolarHBondContact O-CB 3.07Å; S141-N145 VanDerWaalsContact O-CG 3.25Å; S141-N145 PolarHBondContact O-N 3.33Å; S141-N145 PolarHBondContact O-ND2 3.01Å; E142-N145 WeakPolarHBondContact O-CB 3.45Å; E142-N145 PolarHBondContact O-N 3.08Å; E142-N145 VanDerWaalsContact O-N 3.15Å; R143-N145 VanDerWaalsContact C-N 3.28Å; R143-N145 PolarHBondContact O-N 3.2Å; N145-H148 WeakPolarHBondContact O-CB 3.38Å; N145-H148 PolarHBondContact O-N 2.82Å; N145-H149 WeakPolarHBondContact O-CB 3.41Å; N145-H149 PolarHBondContact O-N 3.24Å; N145-G653 PolarHBondContact ND2-O 3.13Å; N145-G653 PolarHBondContact OD1-N 3.2Å; N145-G653 PolarHBondContact OD1-O 3.03Å |
| 146 | I | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.4 | -50.2 | 175.3 | -69.6 | 158.8 | 0 | 0 | 0 | 110.1 | L96 A100 L103 I105 L138 E142 R143 H148 H149 F150 | L96-I146 HydrophobicContact CD2-CB 4.3Å; L96-I146 HydrophobicContact CD2-CD1 4.45Å; L96-I146 HydrophobicContact CD2-CG2 4.03Å; A100-I146 HydrophobicContact CB-CD1 4.11Å; L103-I146 HydrophobicContact CD1-CB 4.45Å; L103-I146 HydrophobicContact CD1-CG1 3.84Å; I105-I146 HydrophobicContact CD1-CD1 3.93Å; I105-I146 HydrophobicContact CD1-CG1 4.05Å; L138-I146 HydrophobicContact CD1-CD1 4.34Å; L138-I146 HydrophobicContact CD2-CD1 4.44Å; E142-I146 WeakPolarHBondContact O-CD1 3.42Å; E142-I146 VanDerWaalsContact O-CG1 3.28Å; E142-I146 WeakPolarHBondContact O-CG1 3.1Å; E142-I146 PolarHBondContact O-N 2.98Å; R143-I146 PolarHBondContact O-N 3.47Å; I146-H148 VanDerWaalsContact C-N 3.27Å; I146-H148 PolarHBondContact O-N 3.31Å; I146-H149 WeakPolarHBondContact O-CB 3.27Å; I146-H149 PolarHBondContact O-N 3.09Å; I146-H149 VanDerWaalsContact O-N 3.15Å; I146-F150 HydrophobicContact CG2-CD2 3.96Å; I146-F150 HydrophobicContact CG2-CE2 3.5Å; I146-F150 VanDerWaalsContact CG2-CE2 3.5Å; I146-F150 HydrophobicContact CG2-CZ 4.1Å; I146-F150 WeakPolarHBondContact O-CD2 3.31Å; I146-F150 PolarHBondContact O-N 2.69Å |
| 147 | V | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.9 | -40.5 | 176.7 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | D44 V45 L72 L89 A91 L96 R143 F150 L151 | D44-V147 HydrophobicContact CB-CG2 4.19Å; V45-V147 HydrophobicContact CB-CB 4.5Å; V45-V147 HydrophobicContact CB-CG1 3.79Å; V45-V147 HydrophobicContact CG2-CB 3.85Å; V45-V147 HydrophobicContact CG2-CG1 3.69Å; L72-V147 HydrophobicContact CD2-CB 4.47Å; L72-V147 HydrophobicContact CD2-CG1 3.94Å; L72-V147 HydrophobicContact CD2-CG2 4.34Å; L89-V147 HydrophobicContact CB-CG1 3.84Å; A91-V147 HydrophobicContact CB-CG2 4.23Å; L96-V147 HydrophobicContact CD2-CG2 4.34Å; R143-V147 WeakPolarHBondContact O-CG2 3.49Å; R143-V147 PolarHBondContact O-N 2.9Å; V147-F150 PolarHBondContact O-N 2.95Å; V147-L151 WeakPolarHBondContact O-CG 3.02Å; V147-L151 PolarHBondContact O-N 3.2Å |
| 148 | H | 94.7 | Very high | 90.2 | Very high | 44 Ų | 44 | 30.3 Ų | 30.3 | 20% | 0.204 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | 175.1 | -170 | 72.3 | 0 | 0 | 0 | 112.6 | S144 N145 I146 L151 M152 F652 | S144-H148 VanDerWaalsContact O-CB 3.23Å; S144-H148 WeakPolarHBondContact O-CB 3.45Å; S144-H148 PolarHBondContact O-N 3.25Å; N145-H148 WeakPolarHBondContact O-CB 3.38Å; N145-H148 PolarHBondContact O-N 2.82Å; I146-H148 VanDerWaalsContact C-N 3.27Å; I146-H148 PolarHBondContact O-N 3.31Å; H148-L151 PolarHBondContact O-N 3.19Å; H148-M152 WeakPolarHBondContact CE1-CE 3.49Å; H148-M152 WeakPolarHBondContact O-CG 3.36Å; H148-M152 PolarHBondContact O-N 2.91Å; H148-F652 HydrophobicContact CB-CD1 3.91Å; H148-F652 HydrophobicContact CB-CE1 3.61Å; H148-F652 HydrophobicContact CB-CZ 4.16Å; H148-F652 AromaticContact CE1-CD2 3.92Å; H148-F652 AromaticContact CE1-CE2 3.58Å; H148-F652 AromaticContact CE1-CZ 3.88Å; H148-F652 AromaticContact CG-CD1 3.94Å; H148-F652 AromaticContact CG-CE1 3.73Å; H148-F652 AromaticContact CG-CZ 3.87Å; H148-F652 AromaticContact ND1-CE1 3.63Å; H148-F652 AromaticContact ND1-CE2 3.47Å; H148-F652 WeakPolarHBondContact ND1-CE2 3.38Å; H148-F652 AromaticContact ND1-CZ 3.26Å; H148-F652 VanDerWaalsContact ND1-CZ 3.26Å; H148-F652 WeakPolarHBondContact ND1-CZ 3.27Å |
| 149 | H | 92.1 | Very high | 89.1 | Confident | 52 Ų | 52 | 38.2 Ų | 38.2 | 24% | 0.241 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.7 | -48 | 176.7 | 176.1 | -104.7 | 0 | 0 | 0 | 111 | E102 L103 N145 I146 L151 M152 S153 | E102-H149 IonicContact OE2-CE1 3.81Å; E102-H149 PolarHBondContact OE2-CE1 2.82Å; E102-H149 IonicContact OE2-ND1 2.78Å; E102-H149 PolarHBondContact OE2-ND1 3.05Å; L103-H149 HydrophobicContact CD1-CB 4.05Å; L103-H149 HydrophobicContact CD2-CB 3.95Å; L103-H149 HydrophobicContact CG-CB 4.2Å; N145-H149 WeakPolarHBondContact O-CB 3.41Å; N145-H149 PolarHBondContact O-N 3.24Å; I146-H149 WeakPolarHBondContact O-CB 3.27Å; I146-H149 PolarHBondContact O-N 3.09Å; I146-H149 VanDerWaalsContact O-N 3.15Å; H149-L151 VanDerWaalsContact C-N 3.25Å; H149-L151 PolarHBondContact O-N 3.34Å; H149-M152 PolarHBondContact O-N 3.04Å; H149-M152 VanDerWaalsContact O-N 3.16Å; H149-S153 VanDerWaalsContact O-CB 3.25Å; H149-S153 WeakPolarHBondContact O-CB 3.19Å; H149-S153 PolarHBondContact O-N 3.38Å; H149-S153 PolarHBondContact O-OG 3.41Å |
| 150 | F | 93.5 | Very high | 88 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.6 | -33.7 | 177 | -70.5 | -39.9 | 0 | 0 | 0 | 113.8 | V69 L72 G95 E102 I146 V147 S153 | V69-F150 HydrophobicContact CG1-CB 4.15Å; V69-F150 HydrophobicContact CG1-CD1 4.43Å; V69-F150 HydrophobicContact CG1-CG 4.21Å; L72-F150 HydrophobicContact CD1-CB 3.92Å; L72-F150 HydrophobicContact CD2-CB 4.34Å; L72-F150 HydrophobicContact CD2-CD2 4.1Å; L72-F150 HydrophobicContact CG-CB 4.28Å; L72-F150 HydrophobicContact CG-CD2 4.4Å; G95-F150 WeakPolarHBondContact O-CE2 3.28Å; G95-F150 WeakPolarHBondContact O-CZ 3.44Å; E102-F150 WeakPolarHBondContact OE2-CE1 3.36Å; I146-F150 HydrophobicContact CG2-CD2 3.96Å; I146-F150 HydrophobicContact CG2-CE2 3.5Å; I146-F150 VanDerWaalsContact CG2-CE2 3.5Å; I146-F150 HydrophobicContact CG2-CZ 4.1Å; I146-F150 WeakPolarHBondContact O-CD2 3.31Å; I146-F150 PolarHBondContact O-N 2.69Å; V147-F150 PolarHBondContact O-N 2.95Å; F150-S153 PolarHBondContact O-OG 2.86Å |
| 151 | L | 92.5 | Very high | 86.8 | Confident | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -72.5 | -45.8 | 174.2 | -67.9 | 171.2 | 0 | 0 | 0 | 111.9 | V45 V47 I65 L72 L89 V147 H148 H149 S153 L154 I175 | V45-L151 HydrophobicContact CG1-CD1 4.19Å; V47-L151 HydrophobicContact CG2-CD1 4.18Å; I65-L151 HydrophobicContact CD1-CD2 4.26Å; L72-L151 HydrophobicContact CD1-CD2 4.24Å; L89-L151 HydrophobicContact CD1-CD1 3.28Å; L89-L151 HydrophobicContact CD1-CD2 3.69Å; L89-L151 HydrophobicContact CD1-CG 3.96Å; V147-L151 WeakPolarHBondContact O-CG 3.02Å; V147-L151 PolarHBondContact O-N 3.2Å; H148-L151 PolarHBondContact O-N 3.19Å; H149-L151 VanDerWaalsContact C-N 3.25Å; H149-L151 PolarHBondContact O-N 3.34Å; L151-S153 VanDerWaalsContact C-N 3.34Å; L151-L154 WeakPolarHBondContact O-CB 3.29Å; L151-L154 PolarHBondContact O-N 3.06Å; L151-I175 HydrophobicContact CB-CG1 4.36Å; L151-I175 WeakPolarHBondContact O-CG1 3.41Å |
| 152 | M | 89.7 | Confident | 85.4 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 13% | 0.128 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.1 | -32.5 | -176.3 | -68.6 | -58.2 | 175.7 | 0 | 0 | 112.4 | H148 H149 L154 I175 P176 I187 | H148-M152 WeakPolarHBondContact CE1-CE 3.49Å; H148-M152 WeakPolarHBondContact O-CG 3.36Å; H148-M152 PolarHBondContact O-N 2.91Å; H149-M152 PolarHBondContact O-N 3.04Å; H149-M152 VanDerWaalsContact O-N 3.16Å; M152-L154 PolarHBondContact O-N 3.17Å; M152-I175 HydrophobicContact CE-CG2 3.98Å; M152-I175 HydrophobicContact SD-CB 4.2Å; M152-I175 HydrophobicContact SD-CG2 3.81Å; M152-P176 HydrophobicContact SD-CG 4.1Å; M152-I187 HydrophobicContact CE-CD1 3.9Å |
| 153 | S | 87.2 | Confident | 83.9 | Confident | 31 Ų | 31 | 50.6 Ų | 50.6 | 22% | 0.217 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -7.5 | 176.8 | 71.9 | 0 | 0 | 0 | 0 | 113.7 | H149 F150 L151 R155 | H149-S153 VanDerWaalsContact O-CB 3.25Å; H149-S153 WeakPolarHBondContact O-CB 3.19Å; H149-S153 PolarHBondContact O-N 3.38Å; H149-S153 PolarHBondContact O-OG 3.41Å; F150-S153 PolarHBondContact O-OG 2.86Å; L151-S153 VanDerWaalsContact C-N 3.34Å; S153-R155 VanDerWaalsContact O-CG 3.28Å; S153-R155 WeakPolarHBondContact O-CG 3.33Å; S153-R155 PolarHBondContact O-N 3.34Å; S153-R155 VanDerWaalsContact O-N 3.16Å |
| 154 | L | 89.5 | Confident | 82.6 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | trans | -64.7 | 112.3 | -179.2 | -170.4 | 75.9 | 0 | 0 | 0 | 111.1 | I64 I65 R68 V69 L151 M152 C173 M174 I175 | I64-L154 HydrophobicContact CG2-CD2 4.38Å; I65-L154 HydrophobicContact CG1-CD2 3.77Å; R68-L154 HydrophobicContact CB-CD1 3.96Å; V69-L154 HydrophobicContact CG2-CD1 3.8Å; L151-L154 WeakPolarHBondContact O-CB 3.29Å; L151-L154 PolarHBondContact O-N 3.06Å; M152-L154 PolarHBondContact O-N 3.17Å; L154-C173 WeakPolarHBondContact O-CA 3.39Å; L154-M174 HydrophobicContact CB-CE 4.39Å; L154-M174 HydrophobicContact CD1-CE 4.18Å; L154-M174 HydrophobicContact CD2-CE 3.46Å; L154-M174 VanDerWaalsContact CD2-CE 3.46Å; L154-M174 HydrophobicContact CG-CE 3.34Å; L154-M174 PolarHBondContact O-N 2.93Å; L154-I175 HydrophobicContact CD2-CD1 4.35Å; L154-I175 HydrophobicContact CD2-CG1 4.41Å | ||
| 155 | R | 85.6 | Confident | 81.5 | Confident | 75 Ų | 75 | 56.3 Ų | 56.3 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | B | Isolated β-bridge | trans | -99.1 | 147.3 | -175.8 | -56.2 | -170.1 | -177.4 | -73.4 | -19.3 | 113 | R68 S153 D171 Q172 C173 M174 E303 | R68-R155 PolarHBondContact NH1-O 3.33Å; S153-R155 VanDerWaalsContact O-CG 3.28Å; S153-R155 WeakPolarHBondContact O-CG 3.33Å; S153-R155 PolarHBondContact O-N 3.34Å; S153-R155 VanDerWaalsContact O-N 3.16Å; R155-D171 WeakPolarHBondContact CD-O 2.95Å; R155-D171 PolarHBondContact NH1-O 2.84Å; R155-D171 VanDerWaalsContact NH1-O 3.12Å; R155-Q172 CarbonylContact C-O 3.53Å; R155-Q172 WeakPolarHBondContact CA-O 3.26Å; R155-C173 PolarHBondContact NH1-SG 2.8Å; R155-C173 VanDerWaalsContact NH1-SG 3.39Å; R155-M174 VanDerWaalsContact O-CE 3.23Å; R155-M174 WeakPolarHBondContact O-CE 3.42Å; R155-E303 IonicContact CZ-OE1 3.37Å; R155-E303 IonicContact NH2-OE1 3.81Å; R155-E303 PolarHBondContact NH2-OE1 3.23Å |
| 156 | A | 83.4 | Confident | 80.4 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | trans | -79.8 | 143.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F168 D171 Q172 M174 | A156-F168 HydrophobicContact CB-CB 3.49Å; A156-F168 VanDerWaalsContact CB-CB 3.49Å; A156-F168 HydrophobicContact CB-CD1 4.26Å; A156-F168 HydrophobicContact CB-CG 3.88Å; A156-D171 PolarHBondContact O-N 3.36Å; A156-Q172 PolarHBondContact N-O 3.05Å; A156-M174 HydrophobicContact CB-CG 3.56Å; A156-M174 HydrophobicContact CB-SD 3.92Å | ||
| 157 | C | 79.4 | Confident | 79.5 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 41% | 0.405 | 33% | 0.33 | S | S | . | . | trans | -112.4 | 163.2 | 168.3 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | R68 E159 D160 | R68-C157 VanDerWaalsContact CZ-SG 3.55Å; C157-E159 PolarHBondContact O-N 3.25Å; C157-D160 PolarHBondContact N-OD2 3.29Å; C157-D160 PolarHBondContact O-N 3.15Å; C157-D160 VanDerWaalsContact O-N 3.1Å | ||
| 158 | R | 68.4 | Low | 78.6 | Confident | 196 Ų | 196 | 66.6 Ų | 66.6 | 74% | 0.74 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -52.7 | -31.6 | -177.1 | -71.8 | -175.6 | -178.6 | -173.6 | 0.1 | 114.5 | D160 S161 N170 | R158-D160 VanDerWaalsContact C-N 3.32Å; R158-D160 PolarHBondContact O-N 2.94Å; R158-S161 PolarHBondContact O-OG 2.87Å; R158-N170 WeakPolarHBondContact CG-OD1 3.22Å; R158-N170 PolarHBondContact NE-ND2 2.86Å |
| 159 | E | 69.8 | Low | 77.5 | Confident | 170 Ų | 170 | 68.5 Ų | 68.5 | 79% | 0.794 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -78.7 | -11.7 | -174.8 | -61.9 | 173.2 | -173.5 | 0 | 0 | 113.7 | C157 | C157-E159 PolarHBondContact O-N 3.25Š|
| 160 | D | 70.6 | Confident | 76.5 | Confident | 12 Ų | 12 | 69.5 Ų | 69.5 | 6% | 0.064 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -84.7 | -13.7 | -171.8 | -58.8 | -37.6 | 0 | 0 | 0 | 113.9 | W60 I64 R68 C157 R158 D162 | W60-D160 HydrophobicContact CZ2-CB 4.21Å; W60-D160 WeakPolarHBondContact CZ2-O 3.3Å; I64-D160 HydrophobicContact CD1-CB 4.2Å; R68-D160 IonicContact CZ-OD1 2.68Å; R68-D160 IonicContact CZ-OD2 3.04Å; R68-D160 IonicContact NH1-OD1 3Å; R68-D160 IonicContact NH1-OD2 3.49Å; R68-D160 PolarHBondContact NH1-OD2 3.15Å; R68-D160 IonicContact NH2-OD1 2.83Å; R68-D160 PolarHBondContact NH2-OD1 3.41Å; R68-D160 IonicContact NH2-OD2 3.92Å; R68-D160 PolarHBondContact NH2-OD2 3.06Å; C157-D160 PolarHBondContact N-OD2 3.29Å; C157-D160 PolarHBondContact O-N 3.15Å; C157-D160 VanDerWaalsContact O-N 3.1Å; R158-D160 VanDerWaalsContact C-N 3.32Å; R158-D160 PolarHBondContact O-N 2.94Å; D160-D162 PolarHBondContact O-N 3.37Å |
| 161 | S | 65.7 | Low | 75.6 | Confident | 41 Ų | 41 | 73.2 Ų | 73.2 | 29% | 0.287 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -71.9 | -11.5 | -171 | 53.4 | 0 | 0 | 0 | 0 | 115 | R158 | R158-S161 PolarHBondContact O-OG 2.87Š|
| 162 | D | 64.1 | Low | 74.9 | Confident | 139 Ų | 139 | 74.8 Ų | 74.8 | 74% | 0.743 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -80 | -27.4 | -164.8 | -65.6 | -9.5 | 0 | 0 | 0 | 114 | D160 | D160-D162 PolarHBondContact O-N 3.37Š|
| 163 | M | 63.5 | Low | 74.6 | Confident | 138 Ų | 138 | 74.5 Ų | 74.5 | 68% | 0.68 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -92.2 | -26.2 | -175.6 | -70.7 | -68.2 | -162.4 | 0 | 0 | 113.9 | W60 | W60-M163 HydrophobicContact CD2-CB 4.27Å; W60-M163 HydrophobicContact CG-CB 3.97Å; W60-M163 HydrophobicContact CG-CG 4.2Å |
| 164 | C | 65.9 | Low | 74.5 | Confident | 12 Ų | 12 | 73 Ų | 73 | 8% | 0.081 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -102.2 | 147.3 | -179.2 | -81 | 0 | 0 | 0 | 0 | 110.6 | W60 I166 F168 | W60-C164 HydrophobicContact CH2-CB 4.45Å; W60-C164 VanDerWaalsContact CH2-SG 3.58Å; W60-C164 WeakPolarHBondContact CZ3-SG 3.39Å; C164-I166 PolarHBondContact O-N 3.04Å; C164-F168 HydrophobicContact CB-CE2 4.45Å |
| 165 | S | 70.4 | Confident | 74.5 | Confident | 134 Ų | 134 | 73 Ų | 73 | 94% | 0.937 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -64.6 | 3.5 | 171.7 | -46 | 0 | 0 | 0 | 0 | 114.1 | ||
| 166 | I | 72.1 | Confident | 74.5 | Confident | 40 Ų | 40 | 70.2 Ų | 70.2 | 21% | 0.205 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -110.4 | 124.2 | -173 | -57.1 | 167.5 | 0 | 0 | 0 | 108.4 | C164 F168 L178 A181 I183 | C164-I166 PolarHBondContact O-N 3.04Å; I166-F168 HydrophobicContact CB-CZ 4.38Å; I166-F168 HydrophobicContact CG2-CD1 4.46Å; I166-F168 HydrophobicContact CG2-CE1 4.17Å; I166-F168 HydrophobicContact CG2-CZ 4.3Å; I166-L178 HydrophobicContact CD1-CD2 4.07Å; I166-A181 HydrophobicContact CD1-CB 3.37Å; I166-A181 HydrophobicContact CG1-CB 4.3Å; I166-I183 HydrophobicContact CD1-CD1 3.6Å |
| 167 | K | 76 | Confident | 74.4 | Confident | 191 Ų | 191 | 70.8 Ų | 70.8 | 83% | 0.83 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -81.4 | 121.5 | 169.7 | -66.3 | -179.1 | 178.3 | -176.9 | 0 | 109 | ||
| 168 | F | 76.1 | Confident | 74.9 | Confident | 22 Ų | 22 | 68 Ų | 68 | 10% | 0.096 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -93.3 | 137.9 | 173.8 | -59.4 | -79.2 | 0 | 0 | 0 | 110.2 | W60 A156 C164 I166 M174 L178 | W60-F168 HydrophobicContact CH2-CE2 4.06Å; W60-F168 HydrophobicContact CH2-CZ 4.27Å; W60-F168 HydrophobicContact CZ2-CE2 4.41Å; A156-F168 HydrophobicContact CB-CB 3.49Å; A156-F168 VanDerWaalsContact CB-CB 3.49Å; A156-F168 HydrophobicContact CB-CD1 4.26Å; A156-F168 HydrophobicContact CB-CG 3.88Å; C164-F168 HydrophobicContact CB-CE2 4.45Å; I166-F168 HydrophobicContact CB-CZ 4.38Å; I166-F168 HydrophobicContact CG2-CD1 4.46Å; I166-F168 HydrophobicContact CG2-CE1 4.17Å; I166-F168 HydrophobicContact CG2-CZ 4.3Å; F168-M174 HydrophobicContact CD1-CG 4.26Å; F168-M174 HydrophobicContact CE1-CB 4.42Å; F168-M174 HydrophobicContact CE1-CG 4.19Å; F168-L178 HydrophobicContact CZ-CD2 4.08Å; F168-L178 HydrophobicContact CZ-CG 4.46Å |
| 169 | D | 71.2 | Confident | 75.8 | Confident | 83 Ų | 83 | 61.1 Ų | 61.1 | 44% | 0.444 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 156 | 167.2 | -65.6 | -40.7 | 0 | 0 | 0 | 110.3 | D171 Q172 | D169-D171 PolarHBondContact O-N 2.79Å; D169-Q172 HydrophobicContact CB-CB 4.26Å; D169-Q172 VanDerWaalsContact N-OE1 3.16Å; D169-Q172 VanDerWaalsContact O-CB 3.31Å; D169-Q172 WeakPolarHBondContact O-CB 3.23Å; D169-Q172 PolarHBondContact O-N 3.02Å |
| 170 | N | 72.2 | Confident | 76.4 | Confident | 73 Ų | 73 | 56.7 Ų | 56.7 | 39% | 0.39 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 134 | 176.8 | -63.6 | -33.1 | 0 | 0 | 0 | 110.8 | R158 Q172 | R158-N170 WeakPolarHBondContact CG-OD1 3.22Å; R158-N170 PolarHBondContact NE-ND2 2.86Å; N170-Q172 PolarHBondContact O-N 3.43Å |
| 171 | D | 73.7 | Confident | 77.1 | Confident | 85 Ų | 85 | 58.7 Ų | 58.7 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 13.1 | 179.3 | -60.8 | -38.1 | 0 | 0 | 0 | 115.6 | R155 A156 D169 | R155-D171 WeakPolarHBondContact CD-O 2.95Å; R155-D171 PolarHBondContact NH1-O 2.84Å; R155-D171 VanDerWaalsContact NH1-O 3.12Å; A156-D171 PolarHBondContact O-N 3.36Å; D169-D171 PolarHBondContact O-N 2.79Å |
| 172 | Q | 79.3 | Confident | 78.2 | Confident | 36 Ų | 36 | 58.1 Ų | 58.1 | 17% | 0.168 | 33% | 0.329 | C | S | . | . | trans | -74.8 | 141.1 | 173.8 | -176.4 | 178.5 | -6.2 | 0 | 0 | 111.6 | R155 A156 D169 N170 M174 S177 | R155-Q172 CarbonylContact C-O 3.53Å; R155-Q172 WeakPolarHBondContact CA-O 3.26Å; A156-Q172 PolarHBondContact N-O 3.05Å; D169-Q172 HydrophobicContact CB-CB 4.26Å; D169-Q172 VanDerWaalsContact N-OE1 3.16Å; D169-Q172 VanDerWaalsContact O-CB 3.31Å; D169-Q172 WeakPolarHBondContact O-CB 3.23Å; D169-Q172 PolarHBondContact O-N 3.02Å; N170-Q172 PolarHBondContact O-N 3.43Å; Q172-M174 PolarHBondContact O-N 3.24Å; Q172-S177 PolarHBondContact NE2-OG 3.37Å | ||
| 173 | C | 82.1 | Confident | 79.4 | Confident | 20 Ų | 20 | 52.8 Ų | 52.8 | 14% | 0.135 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -66.3 | 126.7 | 173.6 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | L154 R155 P176 S177 | L154-C173 WeakPolarHBondContact O-CA 3.39Å; R155-C173 PolarHBondContact NH1-SG 2.8Å; R155-C173 VanDerWaalsContact NH1-SG 3.39Å; C173-P176 HydrophobicContact CB-CG 4Å; C173-S177 PolarHBondContact O-OG 3.15Å |
| 174 | M | 85.6 | Confident | 80.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -77.9 | -48.3 | -173.6 | -73.5 | -174.5 | -66.7 | 0 | 0 | 112.9 | I64 R68 L154 R155 A156 F168 Q172 S177 L178 | I64-M174 HydrophobicContact CG2-CE 3.54Å; I64-M174 HydrophobicContact CG2-SD 4.3Å; R68-M174 VanDerWaalsContact NH1-CE 3.27Å; L154-M174 HydrophobicContact CB-CE 4.39Å; L154-M174 HydrophobicContact CD1-CE 4.18Å; L154-M174 HydrophobicContact CD2-CE 3.46Å; L154-M174 VanDerWaalsContact CD2-CE 3.46Å; L154-M174 HydrophobicContact CG-CE 3.34Å; L154-M174 PolarHBondContact O-N 2.93Å; R155-M174 VanDerWaalsContact O-CE 3.23Å; R155-M174 WeakPolarHBondContact O-CE 3.42Å; A156-M174 HydrophobicContact CB-CG 3.56Å; A156-M174 HydrophobicContact CB-SD 3.92Å; F168-M174 HydrophobicContact CD1-CG 4.26Å; F168-M174 HydrophobicContact CE1-CB 4.42Å; F168-M174 HydrophobicContact CE1-CG 4.19Å; Q172-M174 PolarHBondContact O-N 3.24Å; M174-S177 WeakPolarHBondContact O-CB 3.08Å; M174-S177 PolarHBondContact O-N 3.23Å; M174-S177 VanDerWaalsContact O-N 3.08Å; M174-L178 WeakPolarHBondContact O-CG 3.23Å; M174-L178 PolarHBondContact O-N 3.37Å |
| 175 | I | 89.5 | Confident | 81.9 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.7 | -48 | -173.7 | -59.7 | -56.6 | 0 | 0 | 0 | 112.5 | L61 L151 M152 L154 S177 L178 Q179 I184 I187 | L61-I175 HydrophobicContact CD1-CD1 4.38Å; L61-I175 HydrophobicContact CD2-CD1 4.47Å; L151-I175 HydrophobicContact CB-CG1 4.36Å; L151-I175 WeakPolarHBondContact O-CG1 3.41Å; M152-I175 HydrophobicContact CE-CG2 3.98Å; M152-I175 HydrophobicContact SD-CB 4.2Å; M152-I175 HydrophobicContact SD-CG2 3.81Å; L154-I175 HydrophobicContact CD2-CD1 4.35Å; L154-I175 HydrophobicContact CD2-CG1 4.41Å; I175-S177 VanDerWaalsContact C-N 3.26Å; I175-S177 PolarHBondContact O-N 2.9Å; I175-L178 HydrophobicContact CD1-CD1 4.31Å; I175-L178 PolarHBondContact O-N 3.35Å; I175-Q179 WeakPolarHBondContact O-CG 3.4Å; I175-Q179 PolarHBondContact O-N 3.19Å; I175-I184 HydrophobicContact CD1-CD1 3.98Å; I175-I184 HydrophobicContact CG2-CD1 4.17Å; I175-I187 HydrophobicContact CG2-CD1 3.5Å; I175-I187 VanDerWaalsContact CG2-CD1 3.5Å |
| 176 | P | 84.6 | Confident | 82.9 | Confident | 17 Ų | 17 | 45.4 Ų | 45.4 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -53.9 | -41.2 | 172.9 | -32.5 | 40.1 | 0 | 0 | 0 | 113.9 | M152 C173 Q179 S180 P306 | M152-P176 HydrophobicContact SD-CG 4.1Å; C173-P176 HydrophobicContact CB-CG 4Å; P176-Q179 PolarHBondContact O-N 3.27Å; P176-S180 PolarHBondContact O-N 3.43Å; P176-P306 HydrophobicContact CB-CB 3.77Å; P176-P306 HydrophobicContact CB-CG 3.88Å; P176-P306 HydrophobicContact CG-CG 4.41Å |
| 177 | S | 82.5 | Confident | 83.9 | Confident | 13 Ų | 13 | 43.7 Ų | 43.7 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.6 | -42.6 | -179.8 | -52.8 | 0 | 0 | 0 | 0 | 111 | Q172 C173 M174 I175 S180 A181 | Q172-S177 PolarHBondContact NE2-OG 3.37Å; C173-S177 PolarHBondContact O-OG 3.15Å; M174-S177 WeakPolarHBondContact O-CB 3.08Å; M174-S177 PolarHBondContact O-N 3.23Å; M174-S177 VanDerWaalsContact O-N 3.08Å; I175-S177 VanDerWaalsContact C-N 3.26Å; I175-S177 PolarHBondContact O-N 2.9Å; S177-S180 PolarHBondContact O-N 3.47Å; S177-S180 PolarHBondContact O-OG 2.94Å; S177-A181 PolarHBondContact O-N 3.36Å |
| 178 | L | 88.6 | Confident | 84.8 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.5 | -34.8 | 175.7 | -68.4 | 175 | 0 | 0 | 0 | 113.2 | L61 I166 F168 M174 I175 G182 I183 I184 | L61-L178 HydrophobicContact CD1-CD1 4.1Å; L61-L178 HydrophobicContact CD2-CD1 4.19Å; I166-L178 HydrophobicContact CD1-CD2 4.07Å; F168-L178 HydrophobicContact CZ-CD2 4.08Å; F168-L178 HydrophobicContact CZ-CG 4.46Å; M174-L178 WeakPolarHBondContact O-CG 3.23Å; M174-L178 PolarHBondContact O-N 3.37Å; I175-L178 HydrophobicContact CD1-CD1 4.31Å; I175-L178 PolarHBondContact O-N 3.35Å; L178-G182 PolarHBondContact O-N 3.48Å; L178-I183 HydrophobicContact CD2-CB 4.49Å; L178-I183 HydrophobicContact CD2-CD1 3.83Å; L178-I183 PolarHBondContact O-N 3.26Å; L178-I183 VanDerWaalsContact O-N 3.08Å; L178-I184 HydrophobicContact CB-CD1 3.71Å; L178-I184 HydrophobicContact CB-CG1 4.03Å; L178-I184 HydrophobicContact CD1-CD1 4.01Å; L178-I184 PolarHBondContact O-N 3.39Å |
| 179 | Q | 88.8 | Confident | 85.7 | Confident | 52 Ų | 52 | 33.6 Ų | 33.6 | 24% | 0.243 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.6 | -44.2 | 171.8 | -72.9 | -178.1 | -55.6 | 0 | 0 | 111.3 | I175 P176 A181 G182 I184 I187 | I175-Q179 WeakPolarHBondContact O-CG 3.4Å; I175-Q179 PolarHBondContact O-N 3.19Å; P176-Q179 PolarHBondContact O-N 3.27Å; Q179-A181 VanDerWaalsContact C-N 3.26Å; Q179-A181 PolarHBondContact O-N 2.84Å; Q179-G182 PolarHBondContact O-N 3.16Å; Q179-I184 HydrophobicContact CG-CB 3.95Å; Q179-I184 HydrophobicContact CG-CG2 3.9Å; Q179-I187 HydrophobicContact CG-CD1 4.44Å |
| 180 | S | 82.9 | Confident | 86.6 | Confident | 77 Ų | 77 | 30 Ų | 30 | 54% | 0.538 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.8 | -30.9 | 178.5 | 76.5 | 0 | 0 | 0 | 0 | 113.2 | P176 S177 G182 | P176-S180 PolarHBondContact O-N 3.43Å; S177-S180 PolarHBondContact O-N 3.47Å; S177-S180 PolarHBondContact O-OG 2.94Å; S180-G182 VanDerWaalsContact C-N 3.28Å |
| 181 | A | 85.3 | Confident | 87.4 | Confident | 54 Ų | 54 | 27.2 Ų | 27.2 | 45% | 0.446 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -8.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I166 S177 Q179 I183 | I166-A181 HydrophobicContact CD1-CB 3.37Å; I166-A181 HydrophobicContact CG1-CB 4.3Å; S177-A181 PolarHBondContact O-N 3.36Å; Q179-A181 VanDerWaalsContact C-N 3.26Å; Q179-A181 PolarHBondContact O-N 2.84Å; A181-I183 VanDerWaalsContact C-N 3.29Å; A181-I183 HydrophobicContact CB-CG1 4.35Å; A181-I183 PolarHBondContact O-N 3.09Å |
| 182 | G | 87.1 | Confident | 88.1 | Confident | 28 Ų | 28 | 26 Ų | 26 | 29% | 0.289 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 18.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | L178 Q179 S180 | L178-G182 PolarHBondContact O-N 3.48Å; Q179-G182 PolarHBondContact O-N 3.16Å; S180-G182 VanDerWaalsContact C-N 3.28Å |
| 183 | I | 90.1 | Very high | 88.3 | Confident | 28 Ų | 28 | 27.1 Ų | 27.1 | 14% | 0.144 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -73.1 | -48.1 | 171.8 | -64.8 | 176.7 | 0 | 0 | 0 | 109.2 | F49 K50 L53 I57 I166 L178 A181 | F49-I183 WeakPolarHBondContact CA-O 3.01Å; F49-I183 HydrophobicContact CD1-CG2 4.35Å; K50-I183 PolarHBondContact N-O 2.86Å; L53-I183 HydrophobicContact CD1-CG2 4.31Å; L53-I183 HydrophobicContact CD2-CG2 4.08Å; I57-I183 HydrophobicContact CG2-CG2 4.43Å; I166-I183 HydrophobicContact CD1-CD1 3.6Å; L178-I183 HydrophobicContact CD2-CB 4.49Å; L178-I183 HydrophobicContact CD2-CD1 3.83Å; L178-I183 PolarHBondContact O-N 3.26Å; L178-I183 VanDerWaalsContact O-N 3.08Å; A181-I183 VanDerWaalsContact C-N 3.29Å; A181-I183 HydrophobicContact CB-CG1 4.35Å; A181-I183 PolarHBondContact O-N 3.09Å |
| 184 | I | 92.2 | Very high | 88.5 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 118.6 | 169.5 | -62.2 | 173.8 | 0 | 0 | 0 | 107.2 | V47 F49 I175 L178 Q179 I187 | V47-I184 HydrophobicContact CG1-CD1 4.32Å; V47-I184 HydrophobicContact CG1-CG1 4.3Å; V47-I184 HydrophobicContact CG1-CG2 3.83Å; F49-I184 HydrophobicContact CD1-CG1 4.04Å; F49-I184 HydrophobicContact CE1-CG1 3.9Å; I175-I184 HydrophobicContact CD1-CD1 3.98Å; I175-I184 HydrophobicContact CG2-CD1 4.17Å; L178-I184 HydrophobicContact CB-CD1 3.71Å; L178-I184 HydrophobicContact CB-CG1 4.03Å; L178-I184 HydrophobicContact CD1-CD1 4.01Å; L178-I184 PolarHBondContact O-N 3.39Å; Q179-I184 HydrophobicContact CG-CB 3.95Å; Q179-I184 HydrophobicContact CG-CG2 3.9Å; I184-I187 HydrophobicContact CG2-CD1 4.11Å; I184-I187 HydrophobicContact CG2-CG1 3.76Å |
| 185 | L | 89.8 | Confident | 88.6 | Confident | 87 Ų | 87 | 34.7 Ų | 34.7 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -50.5 | 178.8 | -70 | -180 | 0 | 0 | 0 | 111.4 | I48 F49 K50 | I48-L185 PolarHBondContact O-N 3.4Å; F49-L185 WeakPolarHBondContact O-CD1 3.13Å; K50-L185 HydrophobicContact CB-CD2 4.4Å; K50-L185 HydrophobicContact CB-CG 4.38Å; K50-L185 HydrophobicContact CG-CD2 4.49Å |
| 186 | Q | 91.5 | Very high | 88.7 | Confident | 39 Ų | 39 | 35.6 Ų | 35.6 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 151 | -176.3 | 59.8 | -176.2 | -4.2 | 0 | 0 | 111.8 | I48 F188 A593 | I48-Q186 HydrophobicContact CB-CG 4.02Å; I48-Q186 HydrophobicContact CD1-CG 4.44Å; I48-Q186 HydrophobicContact CG1-CG 4.49Å; I48-Q186 PolarHBondContact N-O 2.87Å; I48-Q186 PolarHBondContact O-N 3.31Å; Q186-F188 HydrophobicContact CG-CD1 4.11Å; Q186-F188 HydrophobicContact CG-CE1 4.17Å; Q186-A593 PolarHBondContact NE2-O 3.46Å; Q186-A593 VanDerWaalsContact NE2-O 3.1Å |
| 187 | I | 93.7 | Very high | 88.9 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 126.7 | 173.4 | -53.6 | 178.5 | 0 | 0 | 0 | 105.9 | V45 V46 V47 M152 I175 Q179 I184 F652 | V45-I187 HydrophobicContact CG1-CG2 3.68Å; V46-I187 WeakPolarHBondContact O-CA 3.47Å; V47-I187 HydrophobicContact CG1-CG1 4.28Å; V47-I187 HydrophobicContact CG2-CD1 4.44Å; V47-I187 HydrophobicContact CG2-CG1 4.17Å; V47-I187 HydrophobicContact CG2-CG2 4.2Å; M152-I187 HydrophobicContact CE-CD1 3.9Å; I175-I187 HydrophobicContact CG2-CD1 3.5Å; I175-I187 VanDerWaalsContact CG2-CD1 3.5Å; Q179-I187 HydrophobicContact CG-CD1 4.44Å; I184-I187 HydrophobicContact CG2-CD1 4.11Å; I184-I187 HydrophobicContact CG2-CG1 3.76Å; I187-F652 HydrophobicContact CG2-CE2 4.18Å; I187-F652 HydrophobicContact CG2-CZ 3.94Å |
| 188 | F | 94.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 149.6 | 179.1 | 61.3 | -87 | 0 | 0 | 0 | 110.9 | V46 I48 Q186 E592 A593 | V46-F188 HydrophobicContact CB-CE2 4.36Å; V46-F188 HydrophobicContact CB-CZ 4.18Å; V46-F188 HydrophobicContact CG1-CZ 4.32Å; V46-F188 PolarHBondContact N-O 3.11Å; V46-F188 PolarHBondContact O-N 3.4Å; V46-F188 VanDerWaalsContact O-N 3.17Å; I48-F188 HydrophobicContact CD1-CE1 3.63Å; I48-F188 HydrophobicContact CD1-CZ 4.02Å; I48-F188 HydrophobicContact CG1-CE1 4.13Å; Q186-F188 HydrophobicContact CG-CD1 4.11Å; Q186-F188 HydrophobicContact CG-CE1 4.17Å; F188-E592 HydrophobicContact CE2-CB 3.88Å; F188-E592 HydrophobicContact CZ-CB 4.48Å; F188-A593 HydrophobicContact CE1-CB 4.08Å; F188-A593 HydrophobicContact CZ-CB 3.93Å |
| 189 | P | 94.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 144.1 | 171.4 | 32.3 | -33.5 | 0 | 0 | 0 | 110.7 | D44 R650 F652 | D44-P189 VanDerWaalsContact O-CA 3.27Å; D44-P189 WeakPolarHBondContact O-CA 3.3Å; P189-R650 WeakPolarHBondContact CD-O 3.48Å; P189-R650 HydrophobicContact CG-CB 3.94Å; P189-R650 HydrophobicContact CG-CG 3.86Å; P189-R650 WeakPolarHBondContact CG-O 3.44Å; P189-F652 HydrophobicContact CB-CD1 4.25Å; P189-F652 HydrophobicContact CB-CE1 3.96Å; P189-F652 HydrophobicContact CB-CZ 4.47Å; P189-F652 HydrophobicContact CG-CD1 4.01Å; P189-F652 HydrophobicContact CG-CE1 4.05Å; P189-F652 HydrophobicContact CG-CG 4.3Å; P189-F652 HydrophobicContact CG-CZ 4.39Å |
| 190 | L | 90.5 | Very high | 89.5 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -79.7 | 145.6 | 178.2 | -163.6 | 71.7 | 0 | 0 | 0 | 110.6 | D44 V46 E192 A589 E592 R650 | D44-L190 PolarHBondContact O-N 2.67Å; V46-L190 HydrophobicContact CG2-CD1 4.39Å; L190-E192 PolarHBondContact O-N 3.31Å; L190-A589 HydrophobicContact CD1-CB 3.91Å; L190-E592 WeakPolarHBondContact CD1-OE2 3.34Å; L190-R650 PolarHBondContact O-NH1 3.32Å; L190-R650 VanDerWaalsContact O-NH1 3.09Å |
| 191 | H | 89.5 | Confident | 89.8 | Confident | 13 Ų | 13 | 41.7 Ų | 41.7 | 6% | 0.06 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 120.9 | 168.1 | -78.3 | -74.4 | 0 | 0 | 0 | 111.1 | P193 L196 Y219 E592 R650 | H191-P193 WeakPolarHBondContact O-CD 3.15Å; H191-L196 HydrophobicContact CB-CD2 4.12Å; H191-Y219 WeakPolarHBondContact CA-OH 3.37Å; H191-Y219 AromaticContact ND1-CE1 3.58Å; H191-Y219 AromaticContact ND1-CZ 3.66Å; H191-Y219 PolarHBondContact ND1-OH 2.74Å; H191-E592 IonicContact CD2-OE2 2.98Å; H191-E592 PolarHBondContact CD2-OE2 2.82Å; H191-E592 IonicContact CG-OE2 3.47Å; H191-E592 PolarHBondContact N-OE2 2.87Å; H191-R650 PolarHBondContact NE2-N 3.23Å |
| 192 | E | 87 | Confident | 89.9 | Confident | 60 Ų | 60 | 41 Ų | 41 | 28% | 0.28 | 22% | 0.221 | S | C | . | . | P | Polyproline II helix | trans | -74.9 | 121.5 | 166.8 | -170.8 | 179.2 | 166.3 | 0 | 0 | 109.9 | T140 L190 N194 L196 Y219 | T140-E192 WeakPolarHBondContact CG2-OE2 3.47Å; L190-E192 PolarHBondContact O-N 3.31Å; E192-N194 VanDerWaalsContact C-N 3.34Å; E192-N194 PolarHBondContact O-N 2.89Å; E192-L196 WeakPolarHBondContact O-CB 3.37Å; E192-L196 PolarHBondContact O-N 2.55Å; E192-Y219 PolarHBondContact N-OH 2.75Å |
| 193 | P | 83.5 | Confident | 90 | Very high | 60 Ų | 60 | 39.6 Ų | 39.6 | 39% | 0.39 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -68.2 | -32.8 | -172.7 | 26 | -34.3 | 0 | 0 | 0 | 112.9 | H191 N197 | H191-P193 WeakPolarHBondContact O-CD 3.15Å; P193-N197 VanDerWaalsContact O-CB 3.26Å; P193-N197 WeakPolarHBondContact O-CB 3.35Å; P193-N197 PolarHBondContact O-N 2.83Å; P193-N197 PolarHBondContact O-ND2 3.24Å |
| 194 | N | 87.5 | Confident | 89.8 | Confident | 110 Ų | 110 | 39.6 Ų | 39.6 | 59% | 0.588 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -68.5 | -55.5 | -177.1 | -63.9 | -27.1 | 0 | 0 | 0 | 111 | E192 L196 N197 K198 | E192-N194 VanDerWaalsContact C-N 3.34Å; E192-N194 PolarHBondContact O-N 2.89Å; N194-L196 PolarHBondContact O-N 2.96Å; N194-N197 PolarHBondContact O-N 3.43Å; N194-K198 PolarHBondContact O-N 3.44Å |
| 195 | E | 87.7 | Confident | 89.2 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 32% | 0.318 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.7 | -37.5 | 178.1 | -67.5 | -52.2 | 122.5 | 0 | 0 | 112.1 | T140 N197 K198 L199 Y219 | T140-E195 HydrophobicContact CG2-CG 4.3Å; E195-N197 VanDerWaalsContact C-N 3.35Å; E195-N197 PolarHBondContact O-N 2.81Å; E195-K198 PolarHBondContact O-N 3.5Å; E195-K198 IonicContact OE2-NZ 2.64Å; E195-L199 WeakPolarHBondContact O-CB 3.39Å; E195-L199 PolarHBondContact O-N 3.18Å; E195-Y219 HydrophobicContact CB-CD2 4.13Å; E195-Y219 HydrophobicContact CB-CE2 3.99Å |
| 196 | L | 90.5 | Very high | 88.7 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 13% | 0.126 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.2 | -40.8 | 175.7 | -174 | 61.6 | 0 | 0 | 0 | 112.1 | H191 E192 N194 L199 T200 Y219 | H191-L196 HydrophobicContact CB-CD2 4.12Å; E192-L196 WeakPolarHBondContact O-CB 3.37Å; E192-L196 PolarHBondContact O-N 2.55Å; N194-L196 PolarHBondContact O-N 2.96Å; L196-L199 PolarHBondContact O-N 3.05Å; L196-T200 WeakPolarHBondContact O-CB 3.23Å; L196-T200 PolarHBondContact O-N 3.02Å; L196-T200 PolarHBondContact O-OG1 3.42Å; L196-Y219 HydrophobicContact CD1-CE1 3.98Å |
| 197 | N | 89.8 | Confident | 87.7 | Confident | 103 Ų | 103 | 59 Ų | 59 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -66.8 | -41.2 | 177.7 | -78.1 | -34.3 | 0 | 0 | 0 | 111.6 | P193 N194 E195 S201 | P193-N197 VanDerWaalsContact O-CB 3.26Å; P193-N197 WeakPolarHBondContact O-CB 3.35Å; P193-N197 PolarHBondContact O-N 2.83Å; P193-N197 PolarHBondContact O-ND2 3.24Å; N194-N197 PolarHBondContact O-N 3.43Å; E195-N197 VanDerWaalsContact C-N 3.35Å; E195-N197 PolarHBondContact O-N 2.81Å; N197-S201 WeakPolarHBondContact O-CB 3.33Å; N197-S201 PolarHBondContact O-N 3.38Å |
| 198 | K | 90.7 | Very high | 86.5 | Confident | 107 Ų | 107 | 62.9 Ų | 62.9 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.8 | -52.6 | 173.4 | -179.8 | -176 | 169.3 | -164.3 | 0 | 110.6 | N194 E195 T200 S201 I202 | N194-K198 PolarHBondContact O-N 3.44Å; E195-K198 PolarHBondContact O-N 3.5Å; E195-K198 IonicContact OE2-NZ 2.64Å; K198-T200 PolarHBondContact O-N 3.42Å; K198-S201 PolarHBondContact O-N 3.42Å; K198-S201 VanDerWaalsContact O-N 3.14Å; K198-S201 PolarHBondContact O-OG 2.97Å; K198-I202 HydrophobicContact CG-CD1 4.21Å; K198-I202 PolarHBondContact O-N 2.83Å; K198-I202 VanDerWaalsContact O-N 3.16Å |
| 199 | L | 91.6 | Very high | 85.1 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 178 | -177.7 | 61.3 | 0 | 0 | 0 | 111.5 | E195 L196 S201 I202 W203 P212 E215 I216 Y219 F220 | E195-L199 WeakPolarHBondContact O-CB 3.39Å; E195-L199 PolarHBondContact O-N 3.18Å; L196-L199 PolarHBondContact O-N 3.05Å; L199-S201 VanDerWaalsContact C-N 3.27Å; L199-S201 PolarHBondContact O-N 3.21Å; L199-I202 PolarHBondContact O-N 2.79Å; L199-W203 HydrophobicContact CD1-CB 4.33Å; L199-W203 HydrophobicContact CD1-CE3 4.32Å; L199-W203 HydrophobicContact CD2-CE3 4.3Å; L199-W203 HydrophobicContact CG-CE3 4.1Å; L199-W203 WeakPolarHBondContact O-CB 3.45Å; L199-W203 PolarHBondContact O-N 2.76Å; L199-P212 HydrophobicContact CD1-CG 4.42Å; L199-E215 HydrophobicContact CD1-CB 3.84Å; L199-I216 HydrophobicContact CD1-CG1 4.23Å; L199-Y219 HydrophobicContact CD2-CD1 4.08Å; L199-Y219 HydrophobicContact CD2-CG 4.06Å; L199-F220 HydrophobicContact CD2-CD2 4.24Å; L199-F220 HydrophobicContact CD2-CE2 3.7Å |
| 200 | T | 89.1 | Confident | 84.5 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 18% | 0.178 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.2 | -38.7 | 176.7 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | L196 K198 I204 R205 | L196-T200 WeakPolarHBondContact O-CB 3.23Å; L196-T200 PolarHBondContact O-N 3.02Å; L196-T200 PolarHBondContact O-OG1 3.42Å; K198-T200 PolarHBondContact O-N 3.42Å; T200-I204 HydrophobicContact CG2-CB 4.28Å; T200-I204 HydrophobicContact CG2-CD1 3.93Å; T200-I204 WeakPolarHBondContact O-CB 3.27Å; T200-I204 PolarHBondContact O-N 3.12Å; T200-R205 PolarHBondContact O-N 2.84Å; T200-R205 VanDerWaalsContact O-N 3.13Å |
| 201 | S | 89 | Confident | 84.5 | Confident | 42 Ų | 42 | 74 Ų | 74 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.2 | -35.9 | 179.7 | 79 | 0 | 0 | 0 | 0 | 113 | N197 K198 L199 R205 | N197-S201 WeakPolarHBondContact O-CB 3.33Å; N197-S201 PolarHBondContact O-N 3.38Å; K198-S201 PolarHBondContact O-N 3.42Å; K198-S201 VanDerWaalsContact O-N 3.14Å; K198-S201 PolarHBondContact O-OG 2.97Å; L199-S201 VanDerWaalsContact C-N 3.27Å; L199-S201 PolarHBondContact O-N 3.21Å; S201-R205 WeakPolarHBondContact O-CB 3.26Å |
| 202 | I | 89.4 | Confident | 84.6 | Confident | 39 Ų | 39 | 74 Ų | 74 | 20% | 0.2 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -84.5 | -39.3 | -178.8 | -61.5 | 167 | 0 | 0 | 0 | 110.6 | K198 L199 R206 P212 | K198-I202 HydrophobicContact CG-CD1 4.21Å; K198-I202 PolarHBondContact O-N 2.83Å; K198-I202 VanDerWaalsContact O-N 3.16Å; L199-I202 PolarHBondContact O-N 2.79Å; I202-R206 WeakPolarHBondContact O-CB 3.34Å; I202-P212 HydrophobicContact CG2-CB 3.98Å; I202-P212 HydrophobicContact CG2-CG 4.05Å |
| 203 | W | 89 | Confident | 85 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -93.3 | -43.8 | -169.7 | -170.9 | 24.1 | 0 | 0 | 0 | 113.6 | L199 P212 I216 F220 F228 R638 A641 | L199-W203 HydrophobicContact CD1-CB 4.33Å; L199-W203 HydrophobicContact CD1-CE3 4.32Å; L199-W203 HydrophobicContact CD2-CE3 4.3Å; L199-W203 HydrophobicContact CG-CE3 4.1Å; L199-W203 WeakPolarHBondContact O-CB 3.45Å; L199-W203 PolarHBondContact O-N 2.76Å; W203-P212 HydrophobicContact CB-CG 3.74Å; W203-P212 HydrophobicContact CG-CG 3.94Å; W203-I216 HydrophobicContact CD2-CD1 3.95Å; W203-I216 HydrophobicContact CD2-CG1 4.11Å; W203-I216 VanDerWaalsContact CE2-CD1 3.45Å; W203-I216 HydrophobicContact CE3-CD1 4.49Å; W203-I216 HydrophobicContact CE3-CG1 4.2Å; W203-I216 HydrophobicContact CG-CD1 4.43Å; W203-I216 HydrophobicContact CH2-CD1 4.13Å; W203-I216 HydrophobicContact CH2-CG1 4.14Å; W203-I216 HydrophobicContact CZ2-CD1 3.53Å; W203-I216 HydrophobicContact CZ2-CG1 4.04Å; W203-I216 HydrophobicContact CZ3-CG1 4.24Å; W203-F220 HydrophobicContact CZ3-CD2 4.42Å; W203-F220 AromaticContact CZ3-CE2 3.84Å; W203-F220 HydrophobicContact CZ3-CE2 3.84Å; W203-F228 HydrophobicContact CH2-CD1 4.49Å; W203-F228 AromaticContact CH2-CD2 3.94Å; W203-F228 HydrophobicContact CH2-CD2 3.94Å; W203-F228 HydrophobicContact CH2-CE1 4.04Å; W203-F228 AromaticContact CH2-CE2 3.43Å; W203-F228 HydrophobicContact CH2-CE2 3.43Å; W203-F228 VanDerWaalsContact CH2-CE2 3.43Å; W203-F228 HydrophobicContact CH2-CG 4.44Å; W203-F228 AromaticContact CH2-CZ 3.48Å; W203-F228 HydrophobicContact CH2-CZ 3.48Å; W203-F228 VanDerWaalsContact CH2-CZ 3.48Å; W203-F228 AromaticContact CZ2-CD1 3.63Å; W203-F228 HydrophobicContact CZ2-CD1 3.63Å; W203-F228 AromaticContact CZ2-CD2 3.73Å; W203-F228 HydrophobicContact CZ2-CD2 3.73Å; W203-F228 AromaticContact CZ2-CE1 3.43Å; W203-F228 HydrophobicContact CZ2-CE1 3.43Å; W203-F228 VanDerWaalsContact CZ2-CE1 3.43Å; W203-F228 AromaticContact CZ2-CE2 3.55Å; W203-F228 HydrophobicContact CZ2-CE2 3.55Å; W203-F228 AromaticContact CZ2-CG 3.77Å; W203-F228 HydrophobicContact CZ2-CG 3.77Å; W203-F228 AromaticContact CZ2-CZ 3.38Å; W203-F228 HydrophobicContact CZ2-CZ 3.38Å; W203-R638 PolarHBondContact O-NH1 3.22Å; W203-A641 HydrophobicContact CD2-CB 3.55Å; W203-A641 HydrophobicContact CE3-CB 3.78Å; W203-A641 HydrophobicContact CG-CB 4.24Å; W203-A641 HydrophobicContact CH2-CB 3.71Å; W203-A641 HydrophobicContact CZ2-CB 3.47Å; W203-A641 VanDerWaalsContact CZ2-CB 3.47Å; W203-A641 HydrophobicContact CZ3-CB 3.83Å |
| 204 | I | 85.1 | Confident | 85.5 | Confident | 28 Ų | 28 | 72.3 Ų | 72.3 | 14% | 0.144 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -42.4 | -175 | -63.2 | 163.1 | 0 | 0 | 0 | 110.7 | T200 A641 Y642 | T200-I204 HydrophobicContact CG2-CB 4.28Å; T200-I204 HydrophobicContact CG2-CD1 3.93Å; T200-I204 WeakPolarHBondContact O-CB 3.27Å; T200-I204 PolarHBondContact O-N 3.12Å; I204-A641 HydrophobicContact CD1-CB 4.41Å; I204-A641 HydrophobicContact CG1-CB 3.8Å; I204-Y642 HydrophobicContact CG2-CD2 4.37Å |
| 205 | R | 79.8 | Confident | 85.8 | Confident | 191 Ų | 191 | 70.6 Ų | 70.6 | 72% | 0.721 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -79 | -33.6 | -175.2 | -61.8 | -174.5 | -179.2 | 179.3 | 0.8 | 113.6 | T200 S201 W207 | T200-R205 PolarHBondContact O-N 2.84Å; T200-R205 VanDerWaalsContact O-N 3.13Å; S201-R205 WeakPolarHBondContact O-CB 3.26Å; R205-W207 PolarHBondContact O-N 3.48Å |
| 206 | R | 79.1 | Confident | 86.1 | Confident | 142 Ų | 142 | 67.4 Ų | 67.4 | 54% | 0.536 | 32% | 0.322 | S | S | . | . | trans | -82.7 | 111.5 | 174.9 | -61.2 | 179.2 | -178.2 | 176.8 | -1 | 108.7 | I202 V208 | I202-R206 WeakPolarHBondContact O-CB 3.34Å; R206-V208 HydrophobicContact CB-CB 4.41Å; R206-V208 HydrophobicContact CB-CG2 3.98Å; R206-V208 PolarHBondContact O-N 3.19Å | ||
| 207 | W | 71.3 | Confident | 86.3 | Confident | 203 Ų | 203 | 68.2 Ų | 68.2 | 77% | 0.769 | 32% | 0.324 | S | S | * | . | trans | -75.5 | 43.9 | 170.1 | -76.8 | 54.2 | 0 | 0 | 0 | 111.3 | R205 | R205-W207 PolarHBondContact O-N 3.48Š| ||
| 208 | V | 66.5 | Low | 86.5 | Confident | 85 Ų | 85 | 68 Ų | 68 | 52% | 0.515 | 32% | 0.32 | S | S | . | . | trans | -90.3 | 131.8 | 178.3 | 175 | 0 | 0 | 0 | 0 | 108.6 | R206 L210 R638 | R206-V208 HydrophobicContact CB-CB 4.41Å; R206-V208 HydrophobicContact CB-CG2 3.98Å; R206-V208 PolarHBondContact O-N 3.19Å; V208-L210 HydrophobicContact CG1-CB 4.33Å; V208-L210 PolarHBondContact O-N 2.99Å; V208-L210 VanDerWaalsContact O-N 3.12Å; V208-R638 PolarHBondContact O-NH2 3.09Å | ||
| 209 | V | 65.4 | Low | 86.7 | Confident | 95 Ų | 95 | 63.1 Ų | 63.1 | 58% | 0.576 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -60.6 | -25.7 | -173.8 | -159.5 | 0 | 0 | 0 | 0 | 112.7 | Y236 | V209-Y236 HydrophobicContact CB-CE1 4.31Å; V209-Y236 VanDerWaalsContact CB-OH 3.3Å; V209-Y236 WeakPolarHBondContact CB-OH 3.42Å; V209-Y236 HydrophobicContact CG1-CD1 4.43Å; V209-Y236 HydrophobicContact CG1-CE1 3.46Å; V209-Y236 VanDerWaalsContact CG1-CE1 3.46Å; V209-Y236 HydrophobicContact CG1-CE2 4.3Å; V209-Y236 WeakPolarHBondContact CG1-OH 3.32Å; V209-Y236 PolarHBondContact O-OH 2.97Å |
| 210 | L | 82.6 | Confident | 86.8 | Confident | 129 Ų | 129 | 62.9 Ų | 62.9 | 68% | 0.675 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -81.4 | 124.8 | 176.7 | -166 | 69.2 | 0 | 0 | 0 | 111.5 | V208 Y236 | V208-L210 HydrophobicContact CG1-CB 4.33Å; V208-L210 PolarHBondContact O-N 2.99Å; V208-L210 VanDerWaalsContact O-N 3.12Å; L210-Y236 PolarHBondContact N-OH 3.35Å |
| 211 | Q | 89.8 | Confident | 87 | Confident | 18 Ų | 18 | 61.7 Ų | 61.7 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | trans | -86.9 | 140.9 | 177.4 | -63.8 | -175.8 | 79 | 0 | 0 | 111.3 | L213 F228 I637 | Q211-L213 VanDerWaalsContact C-N 3.3Å; Q211-L213 HydrophobicContact CB-CD2 3.92Å; Q211-L213 HydrophobicContact CB-CG 4.44Å; Q211-L213 PolarHBondContact O-N 3.44Å; Q211-F228 PolarHBondContact NE2-O 2.67Å; Q211-I637 HydrophobicContact CG-CG2 4.1Å | ||
| 212 | P | 93.1 | Very high | 87.3 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | trans | -78 | 74.9 | 177.1 | 33.2 | -35 | 0 | 0 | 0 | 111 | L199 I202 W203 D214 E215 I216 | L199-P212 HydrophobicContact CD1-CG 4.42Å; I202-P212 HydrophobicContact CG2-CB 3.98Å; I202-P212 HydrophobicContact CG2-CG 4.05Å; W203-P212 HydrophobicContact CB-CG 3.74Å; W203-P212 HydrophobicContact CG-CG 3.94Å; P212-D214 PolarHBondContact O-N 3.08Å; P212-E215 VanDerWaalsContact C-OE2 3.3Å; P212-E215 WeakPolarHBondContact CA-OE2 3.26Å; P212-E215 HydrophobicContact CB-CB 4.33Å; P212-E215 HydrophobicContact CB-CG 4.49Å; P212-E215 VanDerWaalsContact CB-OE2 3.23Å; P212-E215 WeakPolarHBondContact CB-OE2 3.17Å; P212-E215 PolarHBondContact O-N 2.89Å; P212-I216 HydrophobicContact CG-CD1 4.37Å; P212-I216 WeakPolarHBondContact O-CD1 3.33Å; P212-I216 WeakPolarHBondContact O-CG1 3.48Å; P212-I216 PolarHBondContact O-N 2.88Å; P212-I216 VanDerWaalsContact O-N 3.1Å | ||
| 213 | L | 94.3 | Very high | 87.5 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 19% | 0.194 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.5 | -32.2 | -169.6 | -57.7 | 175.8 | 0 | 0 | 0 | 113.8 | Q211 K217 F228 A229 W291 | Q211-L213 VanDerWaalsContact C-N 3.3Å; Q211-L213 HydrophobicContact CB-CD2 3.92Å; Q211-L213 HydrophobicContact CB-CG 4.44Å; Q211-L213 PolarHBondContact O-N 3.44Å; L213-K217 WeakPolarHBondContact O-CB 3.47Å; L213-K217 PolarHBondContact O-N 2.74Å; L213-F228 HydrophobicContact CD2-CB 4.4Å; L213-A229 HydrophobicContact CD1-CB 3.88Å; L213-A229 HydrophobicContact CD2-CB 4.01Å; L213-W291 HydrophobicContact CB-CH2 4.47Å; L213-W291 HydrophobicContact CB-CZ2 3.82Å |
| 214 | D | 93.3 | Very high | 87.7 | Confident | 48 Ų | 48 | 60.8 Ų | 60.8 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -71.4 | -43 | 179.9 | -71.2 | -9.1 | 0 | 0 | 0 | 110.7 | P212 I216 K217 E218 R290 W291 | P212-D214 PolarHBondContact O-N 3.08Å; D214-I216 VanDerWaalsContact C-N 3.31Å; D214-I216 PolarHBondContact O-N 3.21Å; D214-K217 CarbonylContact O-C 3.53Å; D214-K217 WeakPolarHBondContact O-CB 3.47Å; D214-K217 PolarHBondContact O-N 2.96Å; D214-K217 VanDerWaalsContact O-N 3.12Å; D214-E218 WeakPolarHBondContact O-CG 3.23Å; D214-E218 PolarHBondContact O-N 3.38Å; D214-R290 IonicContact OD1-CZ 3.14Å; D214-R290 VanDerWaalsContact OD1-CZ 3.28Å; D214-R290 IonicContact OD1-NE 3.12Å; D214-R290 PolarHBondContact OD1-NE 2.78Å; D214-R290 IonicContact OD1-NH2 2.85Å; D214-R290 PolarHBondContact OD1-NH2 3.49Å; D214-R290 IonicContact OD2-CZ 3.32Å; D214-R290 VanDerWaalsContact OD2-CZ 3.31Å; D214-R290 IonicContact OD2-NE 3.96Å; D214-R290 PolarHBondContact OD2-NE 3Å; D214-R290 IonicContact OD2-NH2 3.91Å; D214-R290 PolarHBondContact OD2-NH2 3.47Å; D214-W291 PolarHBondContact OD1-NE1 2.73Å |
| 215 | E | 93.7 | Very high | 88.3 | Confident | 75 Ų | 75 | 59.5 Ų | 59.5 | 35% | 0.35 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.1 | -35.6 | 177.1 | -60.3 | 88.2 | 155.4 | 0 | 0 | 111.4 | L199 P212 Y219 | L199-E215 HydrophobicContact CD1-CB 3.84Å; P212-E215 VanDerWaalsContact C-OE2 3.3Å; P212-E215 WeakPolarHBondContact CA-OE2 3.26Å; P212-E215 HydrophobicContact CB-CB 4.33Å; P212-E215 HydrophobicContact CB-CG 4.49Å; P212-E215 VanDerWaalsContact CB-OE2 3.23Å; P212-E215 WeakPolarHBondContact CB-OE2 3.17Å; P212-E215 PolarHBondContact O-N 2.89Å; E215-Y219 WeakPolarHBondContact O-CB 3.33Å; E215-Y219 PolarHBondContact O-N 3.38Å; E215-Y219 VanDerWaalsContact O-N 3.15Å |
| 216 | I | 95 | Very high | 89 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.6 | -44.3 | 171.4 | -66.3 | 162.5 | 0 | 0 | 0 | 110.2 | L199 W203 P212 D214 Y219 F220 V224 A225 F228 | L199-I216 HydrophobicContact CD1-CG1 4.23Å; W203-I216 HydrophobicContact CD2-CD1 3.95Å; W203-I216 HydrophobicContact CD2-CG1 4.11Å; W203-I216 VanDerWaalsContact CE2-CD1 3.45Å; W203-I216 HydrophobicContact CE3-CD1 4.49Å; W203-I216 HydrophobicContact CE3-CG1 4.2Å; W203-I216 HydrophobicContact CG-CD1 4.43Å; W203-I216 HydrophobicContact CH2-CD1 4.13Å; W203-I216 HydrophobicContact CH2-CG1 4.14Å; W203-I216 HydrophobicContact CZ2-CD1 3.53Å; W203-I216 HydrophobicContact CZ2-CG1 4.04Å; W203-I216 HydrophobicContact CZ3-CG1 4.24Å; P212-I216 HydrophobicContact CG-CD1 4.37Å; P212-I216 WeakPolarHBondContact O-CD1 3.33Å; P212-I216 WeakPolarHBondContact O-CG1 3.48Å; P212-I216 PolarHBondContact O-N 2.88Å; P212-I216 VanDerWaalsContact O-N 3.1Å; D214-I216 VanDerWaalsContact C-N 3.31Å; D214-I216 PolarHBondContact O-N 3.21Å; I216-Y219 PolarHBondContact O-N 2.99Å; I216-F220 HydrophobicContact CG2-CD2 4.31Å; I216-F220 PolarHBondContact O-N 2.93Å; I216-V224 HydrophobicContact CG2-CG1 4.49Å; I216-A225 HydrophobicContact CG2-CB 4.22Å; I216-F228 HydrophobicContact CD1-CB 4.42Å; I216-F228 HydrophobicContact CG2-CD2 4.21Å |
| 217 | K | 95 | Very high | 89.8 | Confident | 42 Ų | 42 | 43.7 Ų | 43.7 | 18% | 0.183 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 177.5 | 174.7 | -99.4 | 177.6 | -177.7 | 0 | 111.9 | L213 D214 Y219 G221 T222 A225 W291 | L213-K217 WeakPolarHBondContact O-CB 3.47Å; L213-K217 PolarHBondContact O-N 2.74Å; D214-K217 CarbonylContact O-C 3.53Å; D214-K217 WeakPolarHBondContact O-CB 3.47Å; D214-K217 PolarHBondContact O-N 2.96Å; D214-K217 VanDerWaalsContact O-N 3.12Å; K217-Y219 VanDerWaalsContact C-N 3.29Å; K217-Y219 PolarHBondContact O-N 3.46Å; K217-G221 WeakPolarHBondContact O-CA 3.43Å; K217-G221 PolarHBondContact O-N 3.45Å; K217-T222 HydrophobicContact CG-CG2 3.86Å; K217-A225 HydrophobicContact CB-CB 3.7Å; K217-A225 HydrophobicContact CG-CB 4.47Å; K217-W291 HydrophobicContact CD-CG 4.35Å; K217-W291 HydrophobicContact CG-CD2 4.21Å; K217-W291 HydrophobicContact CG-CG 4.08Å |
| 218 | E | 93.5 | Very high | 91 | Very high | 97 Ų | 97 | 34.1 Ų | 34.1 | 45% | 0.453 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66 | -31.4 | 179.7 | -76.6 | 174.1 | -175.4 | 0 | 0 | 112.9 | S139 S141 D214 | S139-E218 WeakPolarHBondContact CB-O 3.49Å; S139-E218 PolarHBondContact OG-O 3.06Å; S141-E218 WeakPolarHBondContact CB-O 3.17Å; S141-E218 PolarHBondContact N-O 3.41Å; D214-E218 WeakPolarHBondContact O-CG 3.23Å; D214-E218 PolarHBondContact O-N 3.38Å |
| 219 | Y | 94.7 | Very high | 92.4 | Very high | 6 Ų | 6 | 30.4 Ų | 30.4 | 2% | 0.024 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -95.4 | -45.9 | -176.4 | -164.1 | -93.1 | 0 | 0 | 0 | 114.1 | H191 E192 E195 L196 L199 E215 I216 K217 R650 | H191-Y219 WeakPolarHBondContact CA-OH 3.37Å; H191-Y219 AromaticContact ND1-CE1 3.58Å; H191-Y219 AromaticContact ND1-CZ 3.66Å; H191-Y219 PolarHBondContact ND1-OH 2.74Å; E192-Y219 PolarHBondContact N-OH 2.75Å; E195-Y219 HydrophobicContact CB-CD2 4.13Å; E195-Y219 HydrophobicContact CB-CE2 3.99Å; L196-Y219 HydrophobicContact CD1-CE1 3.98Å; L199-Y219 HydrophobicContact CD2-CD1 4.08Å; L199-Y219 HydrophobicContact CD2-CG 4.06Å; E215-Y219 WeakPolarHBondContact O-CB 3.33Å; E215-Y219 PolarHBondContact O-N 3.38Å; E215-Y219 VanDerWaalsContact O-N 3.15Å; I216-Y219 PolarHBondContact O-N 2.99Å; K217-Y219 VanDerWaalsContact C-N 3.29Å; K217-Y219 PolarHBondContact O-N 3.46Å; Y219-R650 HydrophobicContact CE1-CG 4.43Å; Y219-R650 PolarHBondContact O-NE 2.97Å; Y219-R650 VanDerWaalsContact O-NE 3.16Å; Y219-R650 PolarHBondContact O-NH2 3.03Å |
| 220 | F | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -105.4 | -9.9 | -176.3 | -66.6 | -66.9 | 0 | 0 | 0 | 114.1 | L199 W203 I216 V224 L644 R650 P651 | L199-F220 HydrophobicContact CD2-CD2 4.24Å; L199-F220 HydrophobicContact CD2-CE2 3.7Å; W203-F220 HydrophobicContact CZ3-CD2 4.42Å; W203-F220 AromaticContact CZ3-CE2 3.84Å; W203-F220 HydrophobicContact CZ3-CE2 3.84Å; I216-F220 HydrophobicContact CG2-CD2 4.31Å; I216-F220 PolarHBondContact O-N 2.93Å; F220-V224 HydrophobicContact CB-CB 3.96Å; F220-V224 HydrophobicContact CB-CG1 3.93Å; F220-V224 HydrophobicContact CB-CG2 4.32Å; F220-V224 HydrophobicContact CG-CG1 4.46Å; F220-L644 HydrophobicContact CB-CD2 4.5Å; F220-L644 HydrophobicContact CD1-CD2 3.67Å; F220-L644 HydrophobicContact CD1-CG 4.02Å; F220-L644 HydrophobicContact CD2-CD2 3.74Å; F220-L644 HydrophobicContact CE1-CD1 4.32Å; F220-L644 HydrophobicContact CE1-CD2 3.64Å; F220-L644 HydrophobicContact CE1-CG 3.57Å; F220-L644 HydrophobicContact CE2-CD2 3.72Å; F220-L644 HydrophobicContact CE2-CG 4.26Å; F220-L644 HydrophobicContact CG-CD2 3.71Å; F220-L644 HydrophobicContact CZ-CB 4.48Å; F220-L644 HydrophobicContact CZ-CD2 3.66Å; F220-L644 HydrophobicContact CZ-CG 3.7Å; F220-R650 HydrophobicContact CD1-CG 4.47Å; F220-R650 HydrophobicContact CE1-CG 4.45Å; F220-P651 HydrophobicContact CD1-CG 4.09Å |
| 221 | G | 93.6 | Very high | 94.5 | Very high | 5 Ų | 5 | 19.9 Ų | 19.9 | 5% | 0.052 | 10% | 0.099 | C | C | . | . | trans | 90.5 | 173.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K217 A225 | K217-G221 WeakPolarHBondContact O-CA 3.43Å; K217-G221 PolarHBondContact O-N 3.45Å; G221-A225 WeakPolarHBondContact O-CB 3.37Å; G221-A225 PolarHBondContact O-N 2.92Å; G221-A225 VanDerWaalsContact O-N 3.16Å | ||
| 222 | T | 93.4 | Very high | 94.7 | Very high | 13 Ų | 13 | 19.2 Ų | 19.2 | 8% | 0.08 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -69.3 | -38.2 | -169.4 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | K217 V224 A225 F226 W291 K654 F655 A656 | K217-T222 HydrophobicContact CG-CG2 3.86Å; T222-V224 PolarHBondContact O-N 2.85Å; T222-A225 PolarHBondContact O-N 2.93Å; T222-F226 VanDerWaalsContact O-CD2 3.32Å; T222-F226 WeakPolarHBondContact O-CD2 3.36Å; T222-F226 PolarHBondContact O-N 2.92Å; T222-W291 HydrophobicContact CG2-CB 4.38Å; T222-K654 PolarHBondContact N-O 3.09Å; T222-K654 PolarHBondContact OG1-O 2.93Å; T222-F655 WeakPolarHBondContact OG1-CA 3.46Å; T222-A656 PolarHBondContact OG1-N 3.33Å |
| 223 | K | 93.6 | Very high | 94.8 | Very high | 42 Ų | 42 | 19.9 Ų | 19.9 | 18% | 0.183 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.3 | -45.2 | -179.4 | -167.4 | 174.9 | -172.8 | 176.5 | 0 | 112.4 | F226 Y227 D415 D600 K654 A656 | K223-F226 PolarHBondContact O-N 2.76Å; K223-Y227 PolarHBondContact O-N 3.45Å; K223-D415 IonicContact NZ-OD1 2.66Å; K223-D600 VanDerWaalsContact CE-OD1 3.32Å; K223-D600 WeakPolarHBondContact CE-OD1 3.41Å; K223-D600 IonicContact NZ-OD1 3.5Å; K223-D600 PolarHBondContact NZ-OD1 3.33Å; K223-D600 IonicContact NZ-OD2 3.89Å; K223-D600 PolarHBondContact NZ-OD2 2.86Å; K223-K654 HydrophobicContact CB-CB 4.03Å; K223-K654 HydrophobicContact CD-CB 4.01Å; K223-K654 HydrophobicContact CD-CD 3.95Å; K223-K654 PolarHBondContact N-O 3.45Å; K223-A656 HydrophobicContact CB-CB 3.9Å; K223-A656 HydrophobicContact CG-CB 4.19Å |
| 224 | V | 94.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 18.1 Ų | 18.1 | 4% | 0.042 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -69.5 | -39.5 | 176.2 | 178 | 0 | 0 | 0 | 0 | 111 | I216 F220 T222 F226 Y227 F228 Y598 L644 P651 | I216-V224 HydrophobicContact CG2-CG1 4.49Å; F220-V224 HydrophobicContact CB-CB 3.96Å; F220-V224 HydrophobicContact CB-CG1 3.93Å; F220-V224 HydrophobicContact CB-CG2 4.32Å; F220-V224 HydrophobicContact CG-CG1 4.46Å; T222-V224 PolarHBondContact O-N 2.85Å; V224-F226 VanDerWaalsContact C-N 3.32Å; V224-F226 PolarHBondContact O-N 3.21Å; V224-Y227 WeakPolarHBondContact O-CB 3.48Å; V224-Y227 PolarHBondContact O-N 2.84Å; V224-F228 HydrophobicContact CG1-CD2 3.92Å; V224-F228 HydrophobicContact CG1-CE2 3.8Å; V224-F228 WeakPolarHBondContact O-CD2 3.45Å; V224-F228 PolarHBondContact O-N 2.7Å; V224-Y598 HydrophobicContact CG2-CE1 4.3Å; V224-L644 HydrophobicContact CG1-CD2 3.77Å; V224-P651 HydrophobicContact CG2-CG 4.38Å |
| 225 | A | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.6 | -38.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | I216 K217 G221 T222 Y227 F228 A229 W291 | I216-A225 HydrophobicContact CG2-CB 4.22Å; K217-A225 HydrophobicContact CB-CB 3.7Å; K217-A225 HydrophobicContact CG-CB 4.47Å; G221-A225 WeakPolarHBondContact O-CB 3.37Å; G221-A225 PolarHBondContact O-N 2.92Å; G221-A225 VanDerWaalsContact O-N 3.16Å; T222-A225 PolarHBondContact O-N 2.93Å; A225-Y227 VanDerWaalsContact C-N 3.34Å; A225-Y227 PolarHBondContact O-N 3.3Å; A225-F228 PolarHBondContact O-N 3.16Å; A225-A229 VanDerWaalsContact O-CB 3.24Å; A225-A229 WeakPolarHBondContact O-CB 3.29Å; A225-A229 PolarHBondContact O-N 3.03Å; A225-W291 HydrophobicContact CB-CE3 4.5Å; A225-W291 HydrophobicContact CB-CH2 3.62Å; A225-W291 HydrophobicContact CB-CZ2 4.12Å; A225-W291 HydrophobicContact CB-CZ3 3.84Å |
| 226 | F | 96.1 | Very high | 95 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 0% | 0.004 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.3 | -37.5 | 174.5 | -92.8 | -68.2 | 0 | 0 | 0 | 113 | T222 K223 V224 W230 L287 A288 W291 A656 I659 | T222-F226 VanDerWaalsContact O-CD2 3.32Å; T222-F226 WeakPolarHBondContact O-CD2 3.36Å; T222-F226 PolarHBondContact O-N 2.92Å; K223-F226 PolarHBondContact O-N 2.76Å; V224-F226 VanDerWaalsContact C-N 3.32Å; V224-F226 PolarHBondContact O-N 3.21Å; F226-W230 VanDerWaalsContact O-CB 3.29Å; F226-W230 WeakPolarHBondContact O-CB 3.37Å; F226-W230 PolarHBondContact O-N 3.02Å; F226-L287 HydrophobicContact CE1-CB 3.97Å; F226-L287 HydrophobicContact CZ-CB 4.19Å; F226-A288 HydrophobicContact CZ-CB 3.97Å; F226-W291 HydrophobicContact CD1-CZ3 4.02Å; F226-W291 AromaticContact CD2-CE3 3.99Å; F226-W291 HydrophobicContact CD2-CE3 3.99Å; F226-W291 AromaticContact CD2-CZ3 3.71Å; F226-W291 HydrophobicContact CD2-CZ3 3.71Å; F226-W291 HydrophobicContact CE1-CE3 4.44Å; F226-W291 HydrophobicContact CE1-CZ3 4.06Å; F226-W291 AromaticContact CE2-CE3 3.59Å; F226-W291 HydrophobicContact CE2-CE3 3.59Å; F226-W291 AromaticContact CE2-CZ3 3.72Å; F226-W291 HydrophobicContact CE2-CZ3 3.72Å; F226-W291 AromaticContact CG-CZ3 3.84Å; F226-W291 HydrophobicContact CG-CZ3 3.84Å; F226-W291 AromaticContact CZ-CE3 3.86Å; F226-W291 HydrophobicContact CZ-CE3 3.86Å; F226-W291 AromaticContact CZ-CZ3 3.91Å; F226-W291 HydrophobicContact CZ-CZ3 3.91Å; F226-A656 HydrophobicContact CD2-CB 4.14Å; F226-A656 WeakPolarHBondContact CE2-O 3.49Å; F226-I659 HydrophobicContact CB-CG2 4.41Å |
| 227 | Y | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.8 | -53 | 173.7 | 167.2 | -98.1 | 0 | 0 | 0 | 111.3 | K223 V224 A225 A229 W230 L231 P601 D604 F605 D640 | K223-Y227 PolarHBondContact O-N 3.45Å; V224-Y227 WeakPolarHBondContact O-CB 3.48Å; V224-Y227 PolarHBondContact O-N 2.84Å; A225-Y227 VanDerWaalsContact C-N 3.34Å; A225-Y227 PolarHBondContact O-N 3.3Å; Y227-A229 PolarHBondContact O-N 3.31Å; Y227-W230 HydrophobicContact CD2-CE3 4.49Å; Y227-W230 HydrophobicContact CE2-CZ3 4.46Å; Y227-W230 WeakPolarHBondContact O-CB 3.26Å; Y227-W230 PolarHBondContact O-N 2.79Å; Y227-L231 HydrophobicContact CE1-CD2 4.18Å; Y227-L231 WeakPolarHBondContact O-CB 3.17Å; Y227-L231 PolarHBondContact O-N 3.28Å; Y227-P601 HydrophobicContact CD2-CB 4.19Å; Y227-P601 HydrophobicContact CG-CB 4.14Å; Y227-D604 HydrophobicContact CE1-CB 4.38Å; Y227-D604 HydrophobicContact CE2-CB 3.7Å; Y227-D604 WeakPolarHBondContact OH-CB 3.45Å; Y227-F605 AromaticContact CD2-CD1 3.85Å; Y227-F605 HydrophobicContact CD2-CD1 3.85Å; Y227-F605 AromaticContact CD2-CD2 3.87Å; Y227-F605 HydrophobicContact CD2-CD2 3.87Å; Y227-F605 AromaticContact CD2-CE1 3.7Å; Y227-F605 HydrophobicContact CD2-CE1 3.7Å; Y227-F605 AromaticContact CD2-CE2 3.71Å; Y227-F605 HydrophobicContact CD2-CE2 3.71Å; Y227-F605 AromaticContact CD2-CG 3.92Å; Y227-F605 HydrophobicContact CD2-CG 3.92Å; Y227-F605 AromaticContact CD2-CZ 3.62Å; Y227-F605 HydrophobicContact CD2-CZ 3.62Å; Y227-F605 HydrophobicContact CE2-CD1 4.29Å; Y227-F605 HydrophobicContact CE2-CG 4.31Å; Y227-F605 HydrophobicContact CG-CE2 4.26Å; Y227-F605 HydrophobicContact CG-CZ 4.17Å; Y227-D640 PolarHBondContact OH-OD2 3.34Å |
| 228 | F | 95.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 1% | 0.013 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -67.1 | -35.4 | 179.9 | -78.6 | -70.8 | 0 | 0 | 0 | 113.2 | W203 Q211 L213 I216 V224 A225 L231 G232 D640 L644 | W203-F228 HydrophobicContact CH2-CD1 4.49Å; W203-F228 AromaticContact CH2-CD2 3.94Å; W203-F228 HydrophobicContact CH2-CD2 3.94Å; W203-F228 HydrophobicContact CH2-CE1 4.04Å; W203-F228 AromaticContact CH2-CE2 3.43Å; W203-F228 HydrophobicContact CH2-CE2 3.43Å; W203-F228 VanDerWaalsContact CH2-CE2 3.43Å; W203-F228 HydrophobicContact CH2-CG 4.44Å; W203-F228 AromaticContact CH2-CZ 3.48Å; W203-F228 HydrophobicContact CH2-CZ 3.48Å; W203-F228 VanDerWaalsContact CH2-CZ 3.48Å; W203-F228 AromaticContact CZ2-CD1 3.63Å; W203-F228 HydrophobicContact CZ2-CD1 3.63Å; W203-F228 AromaticContact CZ2-CD2 3.73Å; W203-F228 HydrophobicContact CZ2-CD2 3.73Å; W203-F228 AromaticContact CZ2-CE1 3.43Å; W203-F228 HydrophobicContact CZ2-CE1 3.43Å; W203-F228 VanDerWaalsContact CZ2-CE1 3.43Å; W203-F228 AromaticContact CZ2-CE2 3.55Å; W203-F228 HydrophobicContact CZ2-CE2 3.55Å; W203-F228 AromaticContact CZ2-CG 3.77Å; W203-F228 HydrophobicContact CZ2-CG 3.77Å; W203-F228 AromaticContact CZ2-CZ 3.38Å; W203-F228 HydrophobicContact CZ2-CZ 3.38Å; Q211-F228 PolarHBondContact NE2-O 2.67Å; L213-F228 HydrophobicContact CD2-CB 4.4Å; I216-F228 HydrophobicContact CD1-CB 4.42Å; I216-F228 HydrophobicContact CG2-CD2 4.21Å; V224-F228 HydrophobicContact CG1-CD2 3.92Å; V224-F228 HydrophobicContact CG1-CE2 3.8Å; V224-F228 WeakPolarHBondContact O-CD2 3.45Å; V224-F228 PolarHBondContact O-N 2.7Å; A225-F228 PolarHBondContact O-N 3.16Å; F228-L231 PolarHBondContact O-N 2.91Å; F228-G232 PolarHBondContact O-N 2.95Å; F228-D640 HydrophobicContact CE1-CB 3.7Å; F228-D640 HydrophobicContact CZ-CB 3.67Å; F228-L644 HydrophobicContact CE2-CD2 4.33Å |
| 229 | A | 96 | Very high | 95.2 | Very high | 7 Ų | 7 | 15.4 Ų | 15.4 | 6% | 0.058 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.6 | -45.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L213 A225 Y227 H233 W280 L287 W291 | L213-A229 HydrophobicContact CD1-CB 3.88Å; L213-A229 HydrophobicContact CD2-CB 4.01Å; A225-A229 VanDerWaalsContact O-CB 3.24Å; A225-A229 WeakPolarHBondContact O-CB 3.29Å; A225-A229 PolarHBondContact O-N 3.03Å; Y227-A229 PolarHBondContact O-N 3.31Å; A229-H233 VanDerWaalsContact O-CB 3.26Å; A229-H233 WeakPolarHBondContact O-CB 3.32Å; A229-H233 PolarHBondContact O-N 3.11Å; A229-W280 HydrophobicContact CB-CH2 4.17Å; A229-W280 HydrophobicContact CB-CZ3 4.47Å; A229-L287 HydrophobicContact CB-CD1 3.62Å; A229-W291 HydrophobicContact CB-CH2 4.1Å |
| 230 | W | 97 | Very high | 95.3 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.6 | -49.9 | 175.7 | 173.1 | 69.9 | 0 | 0 | 0 | 111.8 | F226 Y227 G232 H233 Y234 Y276 W280 F605 M608 I659 L666 | F226-W230 VanDerWaalsContact O-CB 3.29Å; F226-W230 WeakPolarHBondContact O-CB 3.37Å; F226-W230 PolarHBondContact O-N 3.02Å; Y227-W230 HydrophobicContact CD2-CE3 4.49Å; Y227-W230 HydrophobicContact CE2-CZ3 4.46Å; Y227-W230 WeakPolarHBondContact O-CB 3.26Å; Y227-W230 PolarHBondContact O-N 2.79Å; W230-G232 VanDerWaalsContact C-N 3.31Å; W230-G232 PolarHBondContact O-N 3.15Å; W230-H233 PolarHBondContact O-N 3.37Å; W230-Y234 WeakPolarHBondContact O-CB 3.23Å; W230-Y234 PolarHBondContact O-N 3.08Å; W230-Y276 PolarHBondContact NE1-OH 3.4Å; W230-Y276 VanDerWaalsContact NE1-OH 3.09Å; W230-W280 VanDerWaalsContact CA-CZ3 3.42Å; W230-W280 HydrophobicContact CB-CH2 3.5Å; W230-W280 VanDerWaalsContact CB-CH2 3.5Å; W230-W280 HydrophobicContact CB-CZ2 3.49Å; W230-W280 VanDerWaalsContact CB-CZ2 3.49Å; W230-W280 HydrophobicContact CB-CZ3 4.08Å; W230-W280 AromaticContact CD1-CD2 3.75Å; W230-W280 AromaticContact CD1-CE2 3.5Å; W230-W280 VanDerWaalsContact CD1-CE2 3.5Å; W230-W280 AromaticContact CD1-CZ2 3.89Å; W230-W280 AromaticContact CD1-NE1 3.64Å; W230-W280 HydrophobicContact CG-CH2 4.4Å; W230-W280 HydrophobicContact CG-CZ2 4.06Å; W230-W280 VanDerWaalsContact N-CH2 3.29Å; W230-F605 HydrophobicContact CD2-CD1 4.42Å; W230-F605 AromaticContact CD2-CE1 3.98Å; W230-F605 HydrophobicContact CD2-CE1 3.98Å; W230-F605 AromaticContact CE3-CD1 3.72Å; W230-F605 HydrophobicContact CE3-CD1 3.72Å; W230-F605 AromaticContact CE3-CE1 3.51Å; W230-F605 HydrophobicContact CE3-CE1 3.51Å; W230-F605 HydrophobicContact CG-CE1 4.5Å; W230-F605 HydrophobicContact CH2-CD1 4.17Å; W230-F605 AromaticContact CZ3-CD1 3.56Å; W230-F605 HydrophobicContact CZ3-CD1 3.56Å; W230-F605 AromaticContact CZ3-CE1 3.88Å; W230-F605 HydrophobicContact CZ3-CE1 3.88Å; W230-M608 HydrophobicContact CH2-CB 3.34Å; W230-M608 HydrophobicContact CH2-CG 4.41Å; W230-M608 HydrophobicContact CZ3-CB 3.46Å; W230-M608 VanDerWaalsContact CZ3-CB 3.46Å; W230-M608 HydrophobicContact CZ3-CG 4.1Å; W230-I659 HydrophobicContact CB-CG2 3.92Å; W230-I659 HydrophobicContact CG-CD1 4.44Å; W230-I659 HydrophobicContact CG-CG2 4.25Å; W230-L666 HydrophobicContact CZ2-CD1 3.94Å; W230-L666 HydrophobicContact CZ2-CD2 4.26Å |
| 231 | L | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 180 | -179 | 60.2 | 0 | 0 | 0 | 111.4 | Y227 F228 Y234 T235 M608 E636 I637 | Y227-L231 HydrophobicContact CE1-CD2 4.18Å; Y227-L231 WeakPolarHBondContact O-CB 3.17Å; Y227-L231 PolarHBondContact O-N 3.28Å; F228-L231 PolarHBondContact O-N 2.91Å; L231-Y234 PolarHBondContact O-N 3.19Å; L231-T235 WeakPolarHBondContact O-CB 3.39Å; L231-T235 PolarHBondContact O-N 3.43Å; L231-T235 PolarHBondContact O-OG1 2.93Å; L231-M608 HydrophobicContact CD1-CE 3.71Å; L231-M608 HydrophobicContact CD1-CG 3.96Å; L231-M608 HydrophobicContact CD1-SD 3.96Å; L231-E636 HydrophobicContact CD2-CG 4.31Å; L231-I637 HydrophobicContact CD2-CB 4.3Å; L231-I637 HydrophobicContact CD2-CG1 3.42Å; L231-I637 VanDerWaalsContact CD2-CG1 3.42Å; L231-I637 HydrophobicContact CG-CD1 4.21Å; L231-I637 HydrophobicContact CG-CG1 3.54Å |
| 232 | G | 94.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 5% | 0.052 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.9 | -48.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F228 W230 Y234 T235 Y236 | F228-G232 PolarHBondContact O-N 2.95Å; W230-G232 VanDerWaalsContact C-N 3.31Å; W230-G232 PolarHBondContact O-N 3.15Å; G232-Y234 VanDerWaalsContact C-N 3.35Å; G232-Y234 PolarHBondContact O-N 3.41Å; G232-T235 WeakPolarHBondContact O-CB 3.41Å; G232-T235 PolarHBondContact O-N 2.99Å; G232-Y236 WeakPolarHBondContact O-CD2 3.46Å; G232-Y236 PolarHBondContact O-N 3.47Å |
| 233 | H | 95.5 | Very high | 95.5 | Very high | 27 Ų | 27 | 24.3 Ų | 24.3 | 13% | 0.125 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.9 | -42.9 | 178.6 | -169.2 | 89.1 | 0 | 0 | 0 | 112.6 | A229 W230 T235 Y236 S237 Y276 H279 W280 T283 | A229-H233 VanDerWaalsContact O-CB 3.26Å; A229-H233 WeakPolarHBondContact O-CB 3.32Å; A229-H233 PolarHBondContact O-N 3.11Å; W230-H233 PolarHBondContact O-N 3.37Å; H233-T235 VanDerWaalsContact C-N 3.34Å; H233-T235 PolarHBondContact O-N 3.37Å; H233-Y236 PolarHBondContact O-N 3.31Å; H233-S237 WeakPolarHBondContact O-CB 3.17Å; H233-S237 PolarHBondContact O-N 3.27Å; H233-Y276 AromaticContact CD2-CE2 3.74Å; H233-H279 AromaticContact CE1-CD2 3.03Å; H233-H279 PolarHBondContact CE1-CD2 2.89Å; H233-H279 AromaticContact CE1-CG 3.91Å; H233-H279 AromaticContact CE1-NE2 3.28Å; H233-H279 PolarHBondContact CE1-NE2 3.07Å; H233-H279 VanDerWaalsContact CE1-NE2 3.28Å; H233-H279 AromaticContact NE2-CD2 3.18Å; H233-H279 PolarHBondContact NE2-CD2 3.12Å; H233-H279 AromaticContact NE2-CG 3.88Å; H233-H279 AromaticContact NE2-NE2 3.93Å; H233-W280 HydrophobicContact CB-CE3 3.71Å; H233-W280 HydrophobicContact CB-CZ3 3.85Å; H233-W280 AromaticContact CD2-CE3 3.61Å; H233-W280 AromaticContact CG-CE3 3.63Å; H233-T283 PolarHBondContact CE1-OG1 3.47Å; H233-T283 VanDerWaalsContact CE1-OG1 3.29Å |
| 234 | Y | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 174.8 | -180 | -138 | 0 | 0 | 0 | 111.5 | W230 L231 G232 Y236 S237 L238 W272 Y276 M608 F612 N633 | W230-Y234 WeakPolarHBondContact O-CB 3.23Å; W230-Y234 PolarHBondContact O-N 3.08Å; L231-Y234 PolarHBondContact O-N 3.19Å; G232-Y234 VanDerWaalsContact C-N 3.35Å; G232-Y234 PolarHBondContact O-N 3.41Å; Y234-Y236 PolarHBondContact O-N 2.92Å; Y234-S237 WeakPolarHBondContact O-CB 3.24Å; Y234-S237 PolarHBondContact O-N 3.13Å; Y234-S237 VanDerWaalsContact O-N 3.15Å; Y234-L238 HydrophobicContact CD1-CD1 4.28Å; Y234-L238 HydrophobicContact CD2-CD1 4.35Å; Y234-L238 HydrophobicContact CD2-CG 4.12Å; Y234-L238 HydrophobicContact CE1-CD1 3.88Å; Y234-L238 HydrophobicContact CE2-CD1 3.94Å; Y234-L238 HydrophobicContact CE2-CD2 3.79Å; Y234-L238 HydrophobicContact CE2-CG 3.71Å; Y234-L238 HydrophobicContact CG-CD1 4.5Å; Y234-L238 WeakPolarHBondContact O-CG 3.34Å; Y234-L238 PolarHBondContact O-N 2.99Å; Y234-W272 HydrophobicContact CE2-CH2 4.16Å; Y234-W272 HydrophobicContact CE2-CZ2 4.4Å; Y234-Y276 WeakPolarHBondContact CB-OH 3.39Å; Y234-Y276 HydrophobicContact CD2-CE1 4.09Å; Y234-Y276 HydrophobicContact CD2-CE2 4.06Å; Y234-Y276 AromaticContact CD2-CZ 3.63Å; Y234-Y276 WeakPolarHBondContact CD2-OH 3.48Å; Y234-M608 HydrophobicContact CD1-CE 3.78Å; Y234-M608 HydrophobicContact CE1-CE 3.58Å; Y234-F612 AromaticContact CE2-CD2 3.77Å; Y234-F612 HydrophobicContact CE2-CD2 3.77Å; Y234-F612 VanDerWaalsContact OH-CA 3.29Å; Y234-F612 WeakPolarHBondContact OH-CA 3.16Å; Y234-F612 PolarHBondContact OH-N 2.97Å; Y234-N633 VanDerWaalsContact CD1-ND2 3.32Å; Y234-N633 WeakPolarHBondContact CD1-ND2 3.41Å |
| 235 | T | 94.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 23.5 Ų | 23.5 | 5% | 0.049 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 177.7 | -54 | 0 | 0 | 0 | 0 | 112.1 | L231 G232 H233 S237 L238 F630 N633 I634 I637 | L231-T235 WeakPolarHBondContact O-CB 3.39Å; L231-T235 PolarHBondContact O-N 3.43Å; L231-T235 PolarHBondContact O-OG1 2.93Å; G232-T235 WeakPolarHBondContact O-CB 3.41Å; G232-T235 PolarHBondContact O-N 2.99Å; H233-T235 VanDerWaalsContact C-N 3.34Å; H233-T235 PolarHBondContact O-N 3.37Å; T235-S237 VanDerWaalsContact C-N 3.35Å; T235-L238 PolarHBondContact O-N 3.44Å; T235-F630 HydrophobicContact CG2-CD2 3.9Å; T235-F630 HydrophobicContact CG2-CE2 3.87Å; T235-F630 WeakPolarHBondContact O-CD2 3.46Å; T235-N633 HydrophobicContact CG2-CB 3.83Å; T235-N633 WeakPolarHBondContact OG1-CB 3.22Å; T235-N633 PolarHBondContact OG1-ND2 3.19Å; T235-N633 VanDerWaalsContact OG1-ND2 3.07Å; T235-I634 HydrophobicContact CG2-CG1 4.39Å; T235-I637 HydrophobicContact CG2-CD1 4.34Å |
| 236 | Y | 94.5 | Very high | 95.3 | Very high | 99 Ų | 99 | 26.7 Ų | 26.7 | 39% | 0.388 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 173.4 | -77.1 | -68.5 | 0 | 0 | 0 | 112.1 | V209 L210 G232 H233 Y234 L238 I239 | V209-Y236 HydrophobicContact CB-CE1 4.31Å; V209-Y236 VanDerWaalsContact CB-OH 3.3Å; V209-Y236 WeakPolarHBondContact CB-OH 3.42Å; V209-Y236 HydrophobicContact CG1-CD1 4.43Å; V209-Y236 HydrophobicContact CG1-CE1 3.46Å; V209-Y236 VanDerWaalsContact CG1-CE1 3.46Å; V209-Y236 HydrophobicContact CG1-CE2 4.3Å; V209-Y236 WeakPolarHBondContact CG1-OH 3.32Å; V209-Y236 PolarHBondContact O-OH 2.97Å; L210-Y236 PolarHBondContact N-OH 3.35Å; G232-Y236 WeakPolarHBondContact O-CD2 3.46Å; G232-Y236 PolarHBondContact O-N 3.47Å; H233-Y236 PolarHBondContact O-N 3.31Å; Y234-Y236 PolarHBondContact O-N 2.92Å; Y236-L238 VanDerWaalsContact C-N 3.26Å; Y236-L238 PolarHBondContact O-N 2.9Å; Y236-I239 HydrophobicContact CD1-CD1 4.04Å; Y236-I239 WeakPolarHBondContact O-CB 3.2Å; Y236-I239 WeakPolarHBondContact O-CG1 3.21Å; Y236-I239 PolarHBondContact O-N 2.85Å |
| 237 | S | 95.9 | Very high | 95.2 | Very high | 24 Ų | 24 | 28.5 Ų | 28.5 | 17% | 0.168 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.2 | -35.2 | 177.2 | -174.2 | 0 | 0 | 0 | 0 | 112.4 | H233 Y234 T235 I239 F240 P241 W272 Y276 | H233-S237 WeakPolarHBondContact O-CB 3.17Å; H233-S237 PolarHBondContact O-N 3.27Å; Y234-S237 WeakPolarHBondContact O-CB 3.24Å; Y234-S237 PolarHBondContact O-N 3.13Å; Y234-S237 VanDerWaalsContact O-N 3.15Å; T235-S237 VanDerWaalsContact C-N 3.35Å; S237-I239 PolarHBondContact O-N 2.91Å; S237-F240 PolarHBondContact O-N 2.88Å; S237-P241 WeakPolarHBondContact O-CD 3.29Å; S237-W272 PolarHBondContact O-NE1 2.7Å; S237-W272 PolarHBondContact OG-NE1 3.16Å; S237-Y276 WeakPolarHBondContact OG-CB 3.36Å; S237-Y276 WeakPolarHBondContact OG-CD2 3.42Å |
| 238 | L | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.4 | -15.6 | 178.4 | -74.8 | 171.7 | 0 | 0 | 0 | 114.2 | Y234 T235 Y236 F240 P241 S242 W272 V615 A629 F630 N633 | Y234-L238 HydrophobicContact CD1-CD1 4.28Å; Y234-L238 HydrophobicContact CD2-CD1 4.35Å; Y234-L238 HydrophobicContact CD2-CG 4.12Å; Y234-L238 HydrophobicContact CE1-CD1 3.88Å; Y234-L238 HydrophobicContact CE2-CD1 3.94Å; Y234-L238 HydrophobicContact CE2-CD2 3.79Å; Y234-L238 HydrophobicContact CE2-CG 3.71Å; Y234-L238 HydrophobicContact CG-CD1 4.5Å; Y234-L238 WeakPolarHBondContact O-CG 3.34Å; Y234-L238 PolarHBondContact O-N 2.99Å; T235-L238 PolarHBondContact O-N 3.44Å; Y236-L238 VanDerWaalsContact C-N 3.26Å; Y236-L238 PolarHBondContact O-N 2.9Å; L238-F240 PolarHBondContact O-N 3.25Å; L238-P241 HydrophobicContact CD2-CG 4.12Å; L238-P241 VanDerWaalsContact O-CD 3.26Å; L238-P241 WeakPolarHBondContact O-CD 3.32Å; L238-P241 WeakPolarHBondContact O-CG 3.47Å; L238-S242 VanDerWaalsContact O-CB 3.22Å; L238-S242 WeakPolarHBondContact O-CB 3.3Å; L238-S242 PolarHBondContact O-N 3.46Å; L238-S242 PolarHBondContact O-OG 3.26Å; L238-W272 HydrophobicContact CD2-CH2 3.91Å; L238-W272 HydrophobicContact CD2-CZ2 3.89Å; L238-W272 HydrophobicContact CG-CZ2 4.48Å; L238-V615 HydrophobicContact CD2-CG1 4.07Å; L238-V615 HydrophobicContact CD2-CG2 4.28Å; L238-A629 HydrophobicContact CD1-CB 3.94Å; L238-A629 HydrophobicContact CD2-CB 4.22Å; L238-F630 HydrophobicContact CB-CB 4.12Å; L238-F630 HydrophobicContact CB-CD2 4.27Å; L238-N633 WeakPolarHBondContact CD1-ND2 3.15Å |
| 239 | I | 95.2 | Very high | 94.5 | Very high | 73 Ų | 73 | 36.4 Ų | 36.4 | 37% | 0.374 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -57.7 | -41.5 | 175.5 | -64.6 | 172.6 | 0 | 0 | 0 | 110.3 | Y236 S237 S242 V243 F630 | Y236-I239 HydrophobicContact CD1-CD1 4.04Å; Y236-I239 WeakPolarHBondContact O-CB 3.2Å; Y236-I239 WeakPolarHBondContact O-CG1 3.21Å; Y236-I239 PolarHBondContact O-N 2.85Å; S237-I239 PolarHBondContact O-N 2.91Å; I239-S242 WeakPolarHBondContact O-CB 3.35Å; I239-S242 PolarHBondContact O-N 3.32Å; I239-V243 HydrophobicContact CG2-CG2 4.25Å; I239-V243 VanDerWaalsContact O-CG2 3.3Å; I239-V243 WeakPolarHBondContact O-CG2 3.32Å; I239-V243 PolarHBondContact O-N 3.42Å; I239-F630 HydrophobicContact CD1-CE2 4.19Å; I239-F630 HydrophobicContact CG1-CD2 4.08Å; I239-F630 HydrophobicContact CG1-CE2 3.5Å; I239-F630 HydrophobicContact CG1-CZ 4.03Å |
| 240 | F | 95.7 | Very high | 94.2 | Very high | 107 Ų | 107 | 41.2 Ų | 41.2 | 47% | 0.469 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.2 | -59.3 | 179.7 | 177 | -101 | 0 | 0 | 0 | 113.3 | S237 L238 S242 V243 V244 I268 W272 | S237-F240 PolarHBondContact O-N 2.88Å; L238-F240 PolarHBondContact O-N 3.25Å; F240-S242 PolarHBondContact O-N 3.3Å; F240-V243 PolarHBondContact O-N 3.5Å; F240-V244 HydrophobicContact CD2-CG2 4.32Å; F240-V244 HydrophobicContact CE1-CG2 4.34Å; F240-V244 HydrophobicContact CE2-CG2 3.96Å; F240-V244 HydrophobicContact CZ-CG2 3.97Å; F240-V244 WeakPolarHBondContact O-CG2 3.47Å; F240-V244 PolarHBondContact O-N 3.16Å; F240-I268 HydrophobicContact CE1-CG2 3.53Å; F240-I268 HydrophobicContact CZ-CG2 3.78Å; F240-W272 HydrophobicContact CD1-CB 4.01Å; F240-W272 AromaticContact CD1-CD1 3.59Å; F240-W272 AromaticContact CD1-CG 3.97Å; F240-W272 HydrophobicContact CD1-CG 3.97Å; F240-W272 HydrophobicContact CE1-CB 4.05Å; F240-W272 HydrophobicContact CE1-CG 4.5Å |
| 241 | P | 95.2 | Very high | 93.7 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 4% | 0.039 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -27 | 177.3 | 26.4 | -35 | 0 | 0 | 0 | 112.5 | S237 L238 G245 W272 | S237-P241 WeakPolarHBondContact O-CD 3.29Å; L238-P241 HydrophobicContact CD2-CG 4.12Å; L238-P241 VanDerWaalsContact O-CD 3.26Å; L238-P241 WeakPolarHBondContact O-CD 3.32Å; L238-P241 WeakPolarHBondContact O-CG 3.47Å; P241-G245 WeakPolarHBondContact O-CA 3.3Å; P241-G245 PolarHBondContact O-N 3.45Å; P241-W272 HydrophobicContact CG-CD2 4.1Å; P241-W272 HydrophobicContact CG-CH2 4.35Å; P241-W272 HydrophobicContact CG-CZ2 3.85Å |
| 242 | S | 95.3 | Very high | 93 | Very high | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 174 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | L238 I239 F240 L246 G626 L627 F630 | L238-S242 VanDerWaalsContact O-CB 3.22Å; L238-S242 WeakPolarHBondContact O-CB 3.3Å; L238-S242 PolarHBondContact O-N 3.46Å; L238-S242 PolarHBondContact O-OG 3.26Å; I239-S242 WeakPolarHBondContact O-CB 3.35Å; I239-S242 PolarHBondContact O-N 3.32Å; F240-S242 PolarHBondContact O-N 3.3Å; S242-L246 VanDerWaalsContact O-CB 3.24Å; S242-L246 WeakPolarHBondContact O-CB 3.15Å; S242-L246 PolarHBondContact O-N 3.33Å; S242-G626 PolarHBondContact OG-O 3.36Å; S242-L627 WeakPolarHBondContact OG-CA 3.43Å; S242-L627 PolarHBondContact OG-N 2.79Å; S242-F630 WeakPolarHBondContact OG-CB 3.28Å |
| 243 | V | 95.8 | Very high | 91.9 | Very high | 93 Ų | 93 | 55.7 Ų | 55.7 | 56% | 0.564 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -67.8 | -46.4 | 179.7 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | I239 F240 G245 L246 A247 | I239-V243 HydrophobicContact CG2-CG2 4.25Å; I239-V243 VanDerWaalsContact O-CG2 3.3Å; I239-V243 WeakPolarHBondContact O-CG2 3.32Å; I239-V243 PolarHBondContact O-N 3.42Å; F240-V243 PolarHBondContact O-N 3.5Å; V243-G245 VanDerWaalsContact C-N 3.35Å; V243-G245 PolarHBondContact O-N 3.05Å; V243-L246 PolarHBondContact O-N 2.84Å; V243-A247 WeakPolarHBondContact O-CB 3.42Å; V243-A247 PolarHBondContact O-N 3.29Å |
| 244 | V | 94.6 | Very high | 90.5 | Very high | 32 Ų | 32 | 59 Ų | 59 | 19% | 0.194 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.9 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | F240 A247 V248 M265 I268 | F240-V244 HydrophobicContact CD2-CG2 4.32Å; F240-V244 HydrophobicContact CE1-CG2 4.34Å; F240-V244 HydrophobicContact CE2-CG2 3.96Å; F240-V244 HydrophobicContact CZ-CG2 3.97Å; F240-V244 WeakPolarHBondContact O-CG2 3.47Å; F240-V244 PolarHBondContact O-N 3.16Å; V244-A247 PolarHBondContact O-N 3.48Å; V244-V248 WeakPolarHBondContact O-CB 3.3Å; V244-V248 WeakPolarHBondContact O-CG2 3.45Å; V244-V248 PolarHBondContact O-N 3.14Å; V244-M265 HydrophobicContact CG1-CE 4.06Å; V244-M265 HydrophobicContact CG1-SD 3.75Å; V244-I268 HydrophobicContact CG1-CD1 4.3Å; V244-I268 HydrophobicContact CG1-CG2 4.38Å |
| 245 | G | 93.2 | Very high | 89 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P241 V243 W249 P623 | P241-G245 WeakPolarHBondContact O-CA 3.3Å; P241-G245 PolarHBondContact O-N 3.45Å; V243-G245 VanDerWaalsContact C-N 3.35Å; V243-G245 PolarHBondContact O-N 3.05Å; G245-W249 WeakPolarHBondContact O-CB 3.44Å; G245-W249 PolarHBondContact O-N 2.94Å; G245-P623 WeakPolarHBondContact CA-O 3.3Å |
| 246 | L | 94.2 | Very high | 87.1 | Confident | 67 Ų | 67 | 75 Ų | 75 | 35% | 0.351 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 175.7 | -176.7 | 66.7 | 0 | 0 | 0 | 111.8 | S242 V243 V248 W249 L250 L624 L627 | S242-L246 VanDerWaalsContact O-CB 3.24Å; S242-L246 WeakPolarHBondContact O-CB 3.15Å; S242-L246 PolarHBondContact O-N 3.33Å; V243-L246 PolarHBondContact O-N 2.84Å; L246-V248 PolarHBondContact O-N 3.4Å; L246-W249 HydrophobicContact CD1-CE3 4.08Å; L246-W249 PolarHBondContact O-N 3.03Å; L246-L250 HydrophobicContact CD1-CD1 4.47Å; L246-L250 HydrophobicContact CG-CD1 4.22Å; L246-L250 WeakPolarHBondContact O-CG 3.49Å; L246-L250 PolarHBondContact O-N 3.1Å; L246-L624 HydrophobicContact CD1-CD2 4.23Å; L246-L627 HydrophobicContact CD1-CD2 4.19Å |
| 247 | A | 92.4 | Very high | 85.4 | Confident | 39 Ų | 39 | 76 Ų | 76 | 32% | 0.322 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | V243 V244 W249 L250 F251 | V243-A247 WeakPolarHBondContact O-CB 3.42Å; V243-A247 PolarHBondContact O-N 3.29Å; V244-A247 PolarHBondContact O-N 3.48Å; A247-W249 VanDerWaalsContact C-N 3.32Å; A247-W249 PolarHBondContact O-N 2.96Å; A247-L250 PolarHBondContact O-N 3.44Å; A247-F251 HydrophobicContact CB-CD2 4.32Å; A247-F251 WeakPolarHBondContact O-CB 3.3Å; A247-F251 WeakPolarHBondContact O-CD2 3.36Å; A247-F251 PolarHBondContact O-N 2.86Å |
| 248 | V | 89.7 | Confident | 83.9 | Confident | 19 Ų | 19 | 76.7 Ų | 76.7 | 12% | 0.115 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -55.4 | -49.5 | 172.8 | 156.8 | 0 | 0 | 0 | 0 | 111.3 | V244 L246 L250 F251 V252 Y261 M265 P623 | V244-V248 WeakPolarHBondContact O-CB 3.3Å; V244-V248 WeakPolarHBondContact O-CG2 3.45Å; V244-V248 PolarHBondContact O-N 3.14Å; L246-V248 PolarHBondContact O-N 3.4Å; V248-L250 VanDerWaalsContact C-N 3.25Å; V248-L250 PolarHBondContact O-N 3.15Å; V248-F251 PolarHBondContact O-N 3.37Å; V248-V252 HydrophobicContact CB-CG2 4.48Å; V248-V252 HydrophobicContact CG1-CB 4.38Å; V248-V252 HydrophobicContact CG1-CG2 4.27Å; V248-V252 HydrophobicContact CG2-CG2 4.49Å; V248-V252 WeakPolarHBondContact O-CA 3.32Å; V248-V252 VanDerWaalsContact O-CB 3.24Å; V248-V252 WeakPolarHBondContact O-CB 3.29Å; V248-V252 PolarHBondContact O-N 3.02Å; V248-Y261 HydrophobicContact CB-CE2 4Å; V248-Y261 HydrophobicContact CG1-CD2 3.76Å; V248-Y261 HydrophobicContact CG1-CE2 3Å; V248-Y261 HydrophobicContact CG2-CD2 4.23Å; V248-Y261 HydrophobicContact CG2-CE2 3.79Å; V248-M265 HydrophobicContact CG2-SD 3.76Å; V248-P623 HydrophobicContact CB-CB 4.35Å; V248-P623 HydrophobicContact CG1-CB 3.79Å; V248-P623 HydrophobicContact CG1-CG 3.78Å |
| 249 | W | 87.5 | Confident | 82.7 | Confident | 151 Ų | 151 | 77.6 Ų | 77.6 | 57% | 0.572 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.7 | -34.1 | -175.9 | 177.8 | 78 | 0 | 0 | 0 | 112.3 | G245 L246 A247 L624 | G245-W249 WeakPolarHBondContact O-CB 3.44Å; G245-W249 PolarHBondContact O-N 2.94Å; L246-W249 HydrophobicContact CD1-CE3 4.08Å; L246-W249 PolarHBondContact O-N 3.03Å; A247-W249 VanDerWaalsContact C-N 3.32Å; A247-W249 PolarHBondContact O-N 2.96Å; W249-L624 HydrophobicContact CB-CD2 3.85Å; W249-L624 HydrophobicContact CB-CG 4.13Å; W249-L624 HydrophobicContact CD2-CD1 4.01Å; W249-L624 HydrophobicContact CD2-CD2 4.27Å; W249-L624 HydrophobicContact CD2-CG 4.46Å; W249-L624 HydrophobicContact CG-CD1 3.86Å; W249-L624 HydrophobicContact CG-CD2 3.93Å; W249-L624 HydrophobicContact CG-CG 3.93Å |
| 250 | L | 89.6 | Confident | 82 | Confident | 107 Ų | 107 | 80.2 Ų | 80.2 | 56% | 0.56 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -77.6 | -41.6 | 176.9 | -69.8 | 173.9 | 0 | 0 | 0 | 113.5 | L246 A247 V248 | L246-L250 HydrophobicContact CD1-CD1 4.47Å; L246-L250 HydrophobicContact CG-CD1 4.22Å; L246-L250 WeakPolarHBondContact O-CG 3.49Å; L246-L250 PolarHBondContact O-N 3.1Å; A247-L250 PolarHBondContact O-N 3.44Å; V248-L250 VanDerWaalsContact C-N 3.25Å; V248-L250 PolarHBondContact O-N 3.15Å |
| 251 | F | 86.5 | Confident | 81.4 | Confident | 171 Ų | 171 | 76.4 Ų | 76.4 | 75% | 0.75 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -100.8 | -23.8 | -168.4 | -64.3 | -64.6 | 0 | 0 | 0 | 114.4 | A247 V248 S253 | A247-F251 HydrophobicContact CB-CD2 4.32Å; A247-F251 WeakPolarHBondContact O-CB 3.3Å; A247-F251 WeakPolarHBondContact O-CD2 3.36Å; A247-F251 PolarHBondContact O-N 2.86Å; V248-F251 PolarHBondContact O-N 3.37Å; F251-S253 PolarHBondContact O-N 3.42Å |
| 252 | V | 82.1 | Confident | 80.9 | Confident | 53 Ų | 53 | 78.6 Ų | 78.6 | 32% | 0.321 | 41% | 0.409 | S | S | . | . | trans | -94.1 | 102.7 | -177.7 | -176.8 | 0 | 0 | 0 | 0 | 110 | V248 Y261 | V248-V252 HydrophobicContact CB-CG2 4.48Å; V248-V252 HydrophobicContact CG1-CB 4.38Å; V248-V252 HydrophobicContact CG1-CG2 4.27Å; V248-V252 HydrophobicContact CG2-CG2 4.49Å; V248-V252 WeakPolarHBondContact O-CA 3.32Å; V248-V252 VanDerWaalsContact O-CB 3.24Å; V248-V252 WeakPolarHBondContact O-CB 3.29Å; V248-V252 PolarHBondContact O-N 3.02Å; V252-Y261 HydrophobicContact CG1-CD2 4.3Å; V252-Y261 HydrophobicContact CG1-CG 4.13Å; V252-Y261 HydrophobicContact CG2-CD2 4.35Å | ||
| 253 | S | 69.9 | Low | 80.6 | Confident | 87 Ų | 87 | 80.2 Ų | 80.2 | 61% | 0.608 | 42% | 0.417 | S | S | * | . | trans | -68.4 | 133.5 | 172.1 | -71 | 0 | 0 | 0 | 0 | 111.3 | F251 N255 | F251-S253 PolarHBondContact O-N 3.42Å; S253-N255 PolarHBondContact O-N 3.16Å; S253-N255 VanDerWaalsContact O-N 3.1Å | ||
| 254 | P | 66.5 | Low | 80.3 | Confident | 98 Ų | 98 | 79.4 Ų | 79.4 | 64% | 0.636 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -21.2 | -174.1 | 21.6 | -32 | 0 | 0 | 0 | 114.7 | ||
| 255 | N | 64.1 | Low | 80.1 | Confident | 154 Ų | 154 | 78 Ų | 78 | 82% | 0.824 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -16.4 | -165.7 | -100.5 | -2.8 | 0 | 0 | 0 | 117 | S253 | S253-N255 PolarHBondContact O-N 3.16Å; S253-N255 VanDerWaalsContact O-N 3.1Å |
| 256 | K | 55.4 | Low | 80 | Confident | 188 Ų | 188 | 78.2 Ų | 78.2 | 82% | 0.817 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | -36 | -168.8 | -71.5 | -174 | 178.2 | -179.5 | 0 | 116.6 | ||
| 257 | N | 59.7 | Low | 79.9 | Confident | 120 Ų | 120 | 79 Ų | 79 | 64% | 0.642 | 41% | 0.406 | S | S | * | . | trans | -125.3 | 30.5 | -173 | -75 | -4.4 | 0 | 0 | 0 | 113.8 | S259 | N257-S259 PolarHBondContact O-N 3.28Å; N257-S259 VanDerWaalsContact O-N 3.13Å | ||
| 258 | S | 64.5 | Low | 79.9 | Confident | 40 Ų | 40 | 79 Ų | 79 | 28% | 0.28 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -56.5 | -34.5 | -172.6 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | Y262 | S258-Y262 WeakPolarHBondContact O-CD2 3.2Å; S258-Y262 WeakPolarHBondContact O-CE2 3.44Å; S258-Y262 PolarHBondContact O-N 2.99Å |
| 259 | S | 68.8 | Low | 80.2 | Confident | 18 Ų | 18 | 78.4 Ų | 78.4 | 13% | 0.126 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.1 | -56 | -176 | -69.3 | 0 | 0 | 0 | 0 | 114.2 | N257 Y261 Y262 T686 R689 | N257-S259 PolarHBondContact O-N 3.28Å; N257-S259 VanDerWaalsContact O-N 3.13Å; S259-Y261 PolarHBondContact O-N 2.98Å; S259-Y262 PolarHBondContact O-N 2.83Å; S259-T686 WeakPolarHBondContact CA-OG1 3.49Å; S259-T686 WeakPolarHBondContact O-CG2 2.92Å; S259-T686 PolarHBondContact O-OG1 3.16Å; S259-R689 VanDerWaalsContact OG-CD 3.27Å; S259-R689 WeakPolarHBondContact OG-CD 3.45Å; S259-R689 PolarHBondContact OG-NH1 2.82Å |
| 260 | F | 80.8 | Confident | 80.5 | Confident | 128 Ų | 128 | 71.8 Ų | 71.8 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.2 | -32.8 | -176 | -172.6 | -99.4 | 0 | 0 | 0 | 112 | L263 L264 | F260-L263 PolarHBondContact O-N 2.91Å; F260-L264 HydrophobicContact CE1-CD2 4.47Å; F260-L264 WeakPolarHBondContact O-CB 3.29Å; F260-L264 PolarHBondContact O-N 3.02Å |
| 261 | Y | 84.1 | Confident | 80.7 | Confident | 27 Ų | 27 | 71.2 Ų | 71.2 | 11% | 0.106 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.7 | -49 | 176.3 | 159.1 | -102 | 0 | 0 | 0 | 113 | V248 V252 S259 L263 L264 M265 G620 P623 | V248-Y261 HydrophobicContact CB-CE2 4Å; V248-Y261 HydrophobicContact CG1-CD2 3.76Å; V248-Y261 HydrophobicContact CG1-CE2 3Å; V248-Y261 HydrophobicContact CG2-CD2 4.23Å; V248-Y261 HydrophobicContact CG2-CE2 3.79Å; V252-Y261 HydrophobicContact CG1-CD2 4.3Å; V252-Y261 HydrophobicContact CG1-CG 4.13Å; V252-Y261 HydrophobicContact CG2-CD2 4.35Å; S259-Y261 PolarHBondContact O-N 2.98Å; Y261-L263 VanDerWaalsContact C-N 3.3Å; Y261-L263 PolarHBondContact O-N 3.18Å; Y261-L264 PolarHBondContact O-N 2.84Å; Y261-M265 HydrophobicContact CD2-CG 3.87Å; Y261-M265 HydrophobicContact CE2-CB 4.29Å; Y261-M265 HydrophobicContact CE2-CG 3.09Å; Y261-M265 HydrophobicContact CE2-SD 4.04Å; Y261-M265 PolarHBondContact O-N 3.29Å; Y261-G620 WeakPolarHBondContact CE1-O 3.33Å; Y261-G620 PolarHBondContact OH-O 3.24Å; Y261-P623 WeakPolarHBondContact OH-CB 3.36Å; Y261-P623 VanDerWaalsContact OH-CD 3.32Å; Y261-P623 WeakPolarHBondContact OH-CD 3.13Å; Y261-P623 WeakPolarHBondContact OH-CG 3.42Å |
| 262 | Y | 85.2 | Confident | 81.1 | Confident | 52 Ų | 52 | 63.7 Ų | 63.7 | 20% | 0.204 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | -179.9 | -71.7 | -58.1 | 0 | 0 | 0 | 111.9 | S258 S259 A266 G620 | S258-Y262 WeakPolarHBondContact O-CD2 3.2Å; S258-Y262 WeakPolarHBondContact O-CE2 3.44Å; S258-Y262 PolarHBondContact O-N 2.99Å; S259-Y262 PolarHBondContact O-N 2.83Å; Y262-A266 WeakPolarHBondContact O-CB 3.29Å; Y262-A266 PolarHBondContact O-N 2.86Å; Y262-G620 VanDerWaalsContact CD1-O 3.22Å; Y262-G620 WeakPolarHBondContact CD1-O 3.49Å; Y262-G620 WeakPolarHBondContact CE1-O 3.29Å |
| 263 | L | 87.9 | Confident | 81.7 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 175.2 | 177.6 | 64.2 | 0 | 0 | 0 | 111.5 | F260 Y261 M265 A266 I267 L681 T686 L690 | F260-L263 PolarHBondContact O-N 2.91Å; Y261-L263 VanDerWaalsContact C-N 3.3Å; Y261-L263 PolarHBondContact O-N 3.18Å; L263-M265 VanDerWaalsContact C-N 3.34Å; L263-M265 PolarHBondContact O-N 3.28Å; L263-A266 PolarHBondContact O-N 3.03Å; L263-I267 HydrophobicContact CD1-CD1 3.82Å; L263-I267 HydrophobicContact CD1-CG1 4.25Å; L263-I267 HydrophobicContact CG-CD1 3.92Å; L263-I267 WeakPolarHBondContact O-CG1 3.48Å; L263-I267 PolarHBondContact O-N 2.84Å; L263-L681 VanDerWaalsContact CA-CD2 3.49Å; L263-L681 HydrophobicContact CB-CD2 4.09Å; L263-L681 HydrophobicContact CD1-CD1 3.7Å; L263-L681 HydrophobicContact CD1-CD2 4.24Å; L263-T686 HydrophobicContact CB-CG2 4.19Å; L263-L690 HydrophobicContact CD2-CD1 3.57Å |
| 264 | L | 89.2 | Confident | 82.8 | Confident | 76 Ų | 76 | 57.9 Ų | 57.9 | 40% | 0.398 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | -178.6 | -176.5 | 63.5 | 0 | 0 | 0 | 111.4 | F260 Y261 I267 I268 | F260-L264 HydrophobicContact CE1-CD2 4.47Å; F260-L264 WeakPolarHBondContact O-CB 3.29Å; F260-L264 PolarHBondContact O-N 3.02Å; Y261-L264 PolarHBondContact O-N 2.84Å; L264-I267 PolarHBondContact O-N 3.42Å; L264-I268 HydrophobicContact CD1-CD1 3.95Å; L264-I268 HydrophobicContact CD1-CG1 4.36Å; L264-I268 HydrophobicContact CG-CD1 3.8Å; L264-I268 WeakPolarHBondContact O-CB 3.32Å; L264-I268 VanDerWaalsContact O-CG1 3.26Å; L264-I268 WeakPolarHBondContact O-CG1 3.49Å; L264-I268 PolarHBondContact O-N 3.41Å |
| 265 | M | 90.9 | Very high | 84.1 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.02 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 178.1 | -73.4 | -55.6 | -66.5 | 0 | 0 | 113.3 | V244 V248 Y261 L263 I268 N269 T619 P623 | V244-M265 HydrophobicContact CG1-CE 4.06Å; V244-M265 HydrophobicContact CG1-SD 3.75Å; V248-M265 HydrophobicContact CG2-SD 3.76Å; Y261-M265 HydrophobicContact CD2-CG 3.87Å; Y261-M265 HydrophobicContact CE2-CB 4.29Å; Y261-M265 HydrophobicContact CE2-CG 3.09Å; Y261-M265 HydrophobicContact CE2-SD 4.04Å; Y261-M265 PolarHBondContact O-N 3.29Å; L263-M265 VanDerWaalsContact C-N 3.34Å; L263-M265 PolarHBondContact O-N 3.28Å; M265-I268 PolarHBondContact O-N 3.48Å; M265-N269 WeakPolarHBondContact O-CB 3.48Å; M265-N269 PolarHBondContact O-N 2.88Å; M265-T619 HydrophobicContact CE-CG2 3.56Å; M265-P623 HydrophobicContact CE-CB 4.37Å |
| 266 | A | 91.2 | Very high | 85.6 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.9 | -48.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y262 L263 N269 L270 N677 L681 | Y262-A266 WeakPolarHBondContact O-CB 3.29Å; Y262-A266 PolarHBondContact O-N 2.86Å; L263-A266 PolarHBondContact O-N 3.03Å; A266-N269 PolarHBondContact O-N 2.86Å; A266-L270 WeakPolarHBondContact O-CB 3.39Å; A266-L270 VanDerWaalsContact O-CG 3.23Å; A266-L270 WeakPolarHBondContact O-CG 3.16Å; A266-L270 PolarHBondContact O-N 3.16Å; A266-N677 HydrophobicContact CB-CB 4.19Å; A266-L681 HydrophobicContact CB-CD1 4.03Å; A266-L681 HydrophobicContact CB-CD2 4.27Å; A266-L681 HydrophobicContact CB-CG 4.29Å |
| 267 | I | 91.8 | Very high | 87.6 | Confident | 82 Ų | 82 | 42.2 Ų | 42.2 | 42% | 0.421 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.3 | -50.2 | 178.9 | -66.6 | 169.5 | 0 | 0 | 0 | 111 | L263 L264 N269 L270 I271 | L263-I267 HydrophobicContact CD1-CD1 3.82Å; L263-I267 HydrophobicContact CD1-CG1 4.25Å; L263-I267 HydrophobicContact CG-CD1 3.92Å; L263-I267 WeakPolarHBondContact O-CG1 3.48Å; L263-I267 PolarHBondContact O-N 2.84Å; L264-I267 PolarHBondContact O-N 3.42Å; I267-N269 VanDerWaalsContact C-N 3.3Å; I267-N269 PolarHBondContact O-N 3.4Å; I267-L270 PolarHBondContact O-N 2.92Å; I267-I271 HydrophobicContact CG2-CD1 3.7Å; I267-I271 HydrophobicContact CG2-CG1 4.47Å; I267-I271 VanDerWaalsContact O-CG1 3.28Å; I267-I271 WeakPolarHBondContact O-CG1 3.43Å; I267-I271 PolarHBondContact O-N 2.88Å |
| 268 | I | 93.6 | Very high | 89.2 | Confident | 41 Ų | 41 | 36.9 Ų | 36.9 | 21% | 0.21 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | -179.8 | -69.9 | 171.3 | 0 | 0 | 0 | 110.9 | F240 V244 L264 M265 I271 W272 | F240-I268 HydrophobicContact CE1-CG2 3.53Å; F240-I268 HydrophobicContact CZ-CG2 3.78Å; V244-I268 HydrophobicContact CG1-CD1 4.3Å; V244-I268 HydrophobicContact CG1-CG2 4.38Å; L264-I268 HydrophobicContact CD1-CD1 3.95Å; L264-I268 HydrophobicContact CD1-CG1 4.36Å; L264-I268 HydrophobicContact CG-CD1 3.8Å; L264-I268 WeakPolarHBondContact O-CB 3.32Å; L264-I268 VanDerWaalsContact O-CG1 3.26Å; L264-I268 WeakPolarHBondContact O-CG1 3.49Å; L264-I268 PolarHBondContact O-N 3.41Å; M265-I268 PolarHBondContact O-N 3.48Å; I268-I271 PolarHBondContact O-N 3.25Å; I268-W272 WeakPolarHBondContact O-CB 3.4Å; I268-W272 PolarHBondContact O-N 3.42Å |
| 269 | N | 94.2 | Very high | 90.6 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68 | -39.6 | -178.3 | -172.4 | 39.5 | 0 | 0 | 0 | 112.4 | M265 A266 I267 W272 T273 V615 S616 | M265-N269 WeakPolarHBondContact O-CB 3.48Å; M265-N269 PolarHBondContact O-N 2.88Å; A266-N269 PolarHBondContact O-N 2.86Å; I267-N269 VanDerWaalsContact C-N 3.3Å; I267-N269 PolarHBondContact O-N 3.4Å; N269-W272 PolarHBondContact O-N 2.98Å; N269-T273 WeakPolarHBondContact O-CB 3.24Å; N269-T273 PolarHBondContact O-N 3.39Å; N269-T273 PolarHBondContact O-OG1 3.48Å; N269-V615 PolarHBondContact ND2-O 3.38Å; N269-V615 VanDerWaalsContact ND2-O 3.14Å; N269-V615 PolarHBondContact OD1-O 2.99Å; N269-S616 PolarHBondContact ND2-O 3.22Å |
| 270 | L | 94.3 | Very high | 91.9 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.063 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.6 | -39.2 | 176.1 | -68.6 | 179 | 0 | 0 | 0 | 112.2 | A266 I267 S274 V674 N677 I710 | A266-L270 WeakPolarHBondContact O-CB 3.39Å; A266-L270 VanDerWaalsContact O-CG 3.23Å; A266-L270 WeakPolarHBondContact O-CG 3.16Å; A266-L270 PolarHBondContact O-N 3.16Å; I267-L270 PolarHBondContact O-N 2.92Å; L270-S274 WeakPolarHBondContact O-CB 3.38Å; L270-S274 PolarHBondContact O-N 3.44Å; L270-S274 VanDerWaalsContact O-N 3.1Å; L270-S274 PolarHBondContact O-OG 2.88Å; L270-V674 HydrophobicContact CD2-CB 4.31Å; L270-V674 HydrophobicContact CD2-CG2 3.85Å; L270-N677 HydrophobicContact CD1-CB 4.14Å; L270-N677 HydrophobicContact CD2-CB 4.22Å; L270-N677 HydrophobicContact CG-CB 4.29Å; L270-I710 HydrophobicContact CD1-CD1 4.41Å; L270-I710 HydrophobicContact CD1-CG2 4.43Å |
| 271 | I | 93.5 | Very high | 92.6 | Very high | 95 Ų | 95 | 34.3 Ų | 34.3 | 49% | 0.487 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.2 | -50.1 | 173.2 | -67.9 | 168.6 | 0 | 0 | 0 | 109.8 | I267 I268 T273 S274 L275 | I267-I271 HydrophobicContact CG2-CD1 3.7Å; I267-I271 HydrophobicContact CG2-CG1 4.47Å; I267-I271 VanDerWaalsContact O-CG1 3.28Å; I267-I271 WeakPolarHBondContact O-CG1 3.43Å; I267-I271 PolarHBondContact O-N 2.88Å; I268-I271 PolarHBondContact O-N 3.25Å; I271-T273 PolarHBondContact O-N 3.42Å; I271-S274 PolarHBondContact O-N 3.29Å; I271-L275 HydrophobicContact CG2-CD1 3.68Å; I271-L275 HydrophobicContact CG2-CG 4.21Å; I271-L275 WeakPolarHBondContact O-CB 3.38Å; I271-L275 WeakPolarHBondContact O-CG 3.36Å; I271-L275 PolarHBondContact O-N 2.94Å |
| 272 | W | 95.7 | Very high | 93.2 | Very high | 14 Ų | 14 | 37.2 Ų | 37.2 | 5% | 0.053 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.1 | -49.8 | 178.3 | 168.1 | 76.4 | 0 | 0 | 0 | 112 | Y234 S237 L238 F240 P241 I268 N269 S274 L275 Y276 F612 V615 | Y234-W272 HydrophobicContact CE2-CH2 4.16Å; Y234-W272 HydrophobicContact CE2-CZ2 4.4Å; S237-W272 PolarHBondContact O-NE1 2.7Å; S237-W272 PolarHBondContact OG-NE1 3.16Å; L238-W272 HydrophobicContact CD2-CH2 3.91Å; L238-W272 HydrophobicContact CD2-CZ2 3.89Å; L238-W272 HydrophobicContact CG-CZ2 4.48Å; F240-W272 HydrophobicContact CD1-CB 4.01Å; F240-W272 AromaticContact CD1-CD1 3.59Å; F240-W272 AromaticContact CD1-CG 3.97Å; F240-W272 HydrophobicContact CD1-CG 3.97Å; F240-W272 HydrophobicContact CE1-CB 4.05Å; F240-W272 HydrophobicContact CE1-CG 4.5Å; P241-W272 HydrophobicContact CG-CD2 4.1Å; P241-W272 HydrophobicContact CG-CH2 4.35Å; P241-W272 HydrophobicContact CG-CZ2 3.85Å; I268-W272 WeakPolarHBondContact O-CB 3.4Å; I268-W272 PolarHBondContact O-N 3.42Å; N269-W272 PolarHBondContact O-N 2.98Å; W272-S274 VanDerWaalsContact C-N 3.28Å; W272-S274 PolarHBondContact O-N 3.17Å; W272-L275 PolarHBondContact O-N 3.08Å; W272-Y276 VanDerWaalsContact O-CB 3.22Å; W272-Y276 WeakPolarHBondContact O-CB 3.48Å; W272-Y276 PolarHBondContact O-N 2.85Å; W272-F612 HydrophobicContact CH2-CE2 4.37Å; W272-V615 HydrophobicContact CH2-CG1 3.79Å; W272-V615 HydrophobicContact CZ3-CG1 3.7Å |
| 273 | T | 95.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.9 | -43.7 | -179.4 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | N269 I271 L277 F612 | N269-T273 WeakPolarHBondContact O-CB 3.24Å; N269-T273 PolarHBondContact O-N 3.39Å; N269-T273 PolarHBondContact O-OG1 3.48Å; I271-T273 PolarHBondContact O-N 3.42Å; T273-L277 WeakPolarHBondContact O-CG 3.47Å; T273-L277 PolarHBondContact O-N 3.17Å; T273-F612 HydrophobicContact CG2-CE2 4.25Å; T273-F612 HydrophobicContact CG2-CZ 3.66Å |
| 274 | S | 93.1 | Very high | 93.9 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 11% | 0.105 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.8 | -47.9 | -180 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | L270 I271 W272 Y276 L277 E278 | L270-S274 WeakPolarHBondContact O-CB 3.38Å; L270-S274 PolarHBondContact O-N 3.44Å; L270-S274 VanDerWaalsContact O-N 3.1Å; L270-S274 PolarHBondContact O-OG 2.88Å; I271-S274 PolarHBondContact O-N 3.29Å; W272-S274 VanDerWaalsContact C-N 3.28Å; W272-S274 PolarHBondContact O-N 3.17Å; S274-Y276 PolarHBondContact O-N 2.9Å; S274-L277 PolarHBondContact O-N 3.39Å; S274-E278 PolarHBondContact O-N 3.3Å |
| 275 | L | 93.6 | Very high | 94.2 | Very high | 105 Ų | 105 | 32 Ų | 32 | 55% | 0.55 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 179.7 | -69.5 | 177.4 | 0 | 0 | 0 | 112.1 | I271 W272 H279 | I271-L275 HydrophobicContact CG2-CD1 3.68Å; I271-L275 HydrophobicContact CG2-CG 4.21Å; I271-L275 WeakPolarHBondContact O-CB 3.38Å; I271-L275 WeakPolarHBondContact O-CG 3.36Å; I271-L275 PolarHBondContact O-N 2.94Å; W272-L275 PolarHBondContact O-N 3.08Å; L275-H279 WeakPolarHBondContact O-CB 3.17Å; L275-H279 PolarHBondContact O-N 3.27Å |
| 276 | Y | 95.2 | Very high | 94.3 | Very high | 7 Ų | 7 | 35 Ų | 35 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.1 | -50.6 | 177.6 | 160.2 | -112.3 | 0 | 0 | 0 | 111.9 | W230 H233 Y234 S237 W272 S274 E278 H279 W280 F612 | W230-Y276 PolarHBondContact NE1-OH 3.4Å; W230-Y276 VanDerWaalsContact NE1-OH 3.09Å; H233-Y276 AromaticContact CD2-CE2 3.74Å; Y234-Y276 WeakPolarHBondContact CB-OH 3.39Å; Y234-Y276 HydrophobicContact CD2-CE1 4.09Å; Y234-Y276 HydrophobicContact CD2-CE2 4.06Å; Y234-Y276 AromaticContact CD2-CZ 3.63Å; Y234-Y276 WeakPolarHBondContact CD2-OH 3.48Å; S237-Y276 WeakPolarHBondContact OG-CB 3.36Å; S237-Y276 WeakPolarHBondContact OG-CD2 3.42Å; W272-Y276 VanDerWaalsContact O-CB 3.22Å; W272-Y276 WeakPolarHBondContact O-CB 3.48Å; W272-Y276 PolarHBondContact O-N 2.85Å; S274-Y276 PolarHBondContact O-N 2.9Å; Y276-E278 VanDerWaalsContact C-N 3.34Å; Y276-E278 PolarHBondContact O-N 2.6Å; Y276-H279 PolarHBondContact O-N 2.98Å; Y276-W280 HydrophobicContact CE2-CB 4.47Å; Y276-W280 WeakPolarHBondContact O-CB 3.13Å; Y276-W280 PolarHBondContact O-N 2.76Å; Y276-F612 AromaticContact CD1-CE2 3.74Å; Y276-F612 HydrophobicContact CD1-CE2 3.74Å; Y276-F612 HydrophobicContact CD1-CZ 4.37Å; Y276-F612 HydrophobicContact CE1-CD2 4.11Å; Y276-F612 AromaticContact CE1-CE2 3.58Å; Y276-F612 HydrophobicContact CE1-CE2 3.58Å; Y276-F612 HydrophobicContact CE1-CZ 4.28Å |
| 277 | L | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | -177 | -71.3 | 177.6 | 0 | 0 | 0 | 112 | T273 S274 W280 K281 F612 L666 S670 | T273-L277 WeakPolarHBondContact O-CG 3.47Å; T273-L277 PolarHBondContact O-N 3.17Å; S274-L277 PolarHBondContact O-N 3.39Å; L277-W280 PolarHBondContact O-N 3.46Å; L277-K281 WeakPolarHBondContact O-CG 3.47Å; L277-K281 PolarHBondContact O-N 3.07Å; L277-F612 HydrophobicContact CD1-CZ 4.25Å; L277-F612 HydrophobicContact CD2-CZ 4.13Å; L277-F612 HydrophobicContact CG-CZ 4.29Å; L277-L666 HydrophobicContact CD2-CB 3.74Å; L277-L666 HydrophobicContact CD2-CD1 4.29Å; L277-S670 VanDerWaalsContact CD1-CB 3.5Å; L277-S670 WeakPolarHBondContact CD1-OG 3.16Å |
| 278 | E | 94 | Very high | 94.6 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 3% | 0.033 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.6 | -36.1 | 176.7 | -63.4 | -51.7 | 140.4 | 0 | 0 | 112.4 | S274 Y276 W280 K281 R282 I717 S718 H723 | S274-E278 PolarHBondContact O-N 3.3Å; Y276-E278 VanDerWaalsContact C-N 3.34Å; Y276-E278 PolarHBondContact O-N 2.6Å; E278-W280 VanDerWaalsContact C-N 3.35Å; E278-K281 PolarHBondContact O-N 3.4Å; E278-K281 IonicContact OE1-NZ 2.97Å; E278-K281 PolarHBondContact OE1-NZ 2.86Å; E278-K281 IonicContact OE2-NZ 2.95Å; E278-R282 WeakPolarHBondContact O-CG 3.43Å; E278-R282 PolarHBondContact O-N 2.86Å; E278-R282 VanDerWaalsContact O-N 3.16Å; E278-I717 HydrophobicContact CG-CG2 4.2Å; E278-S718 VanDerWaalsContact OE1-CB 3.3Å; E278-S718 WeakPolarHBondContact OE1-CB 3.27Å; E278-S718 PolarHBondContact OE1-OG 2.72Å; E278-H723 IonicContact OE2-CE1 2.69Å; E278-H723 IonicContact OE2-ND1 2.84Å |
| 279 | H | 94.7 | Very high | 94.5 | Very high | 101 Ų | 101 | 31.7 Ų | 31.7 | 47% | 0.468 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.8 | -40.3 | 173.6 | -173.3 | 52.2 | 0 | 0 | 0 | 112 | H233 L275 Y276 R282 T283 | H233-H279 AromaticContact CE1-CD2 3.03Å; H233-H279 PolarHBondContact CE1-CD2 2.89Å; H233-H279 AromaticContact CE1-CG 3.91Å; H233-H279 AromaticContact CE1-NE2 3.28Å; H233-H279 PolarHBondContact CE1-NE2 3.07Å; H233-H279 VanDerWaalsContact CE1-NE2 3.28Å; H233-H279 AromaticContact NE2-CD2 3.18Å; H233-H279 PolarHBondContact NE2-CD2 3.12Å; H233-H279 AromaticContact NE2-CG 3.88Å; H233-H279 AromaticContact NE2-NE2 3.93Å; L275-H279 WeakPolarHBondContact O-CB 3.17Å; L275-H279 PolarHBondContact O-N 3.27Å; Y276-H279 PolarHBondContact O-N 2.98Å; H279-R282 PolarHBondContact O-N 3.16Å; H279-T283 WeakPolarHBondContact O-CB 3.44Å; H279-T283 PolarHBondContact O-N 2.79Å; H279-T283 PolarHBondContact O-OG1 3.43Å |
| 280 | W | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.5 | -45.4 | 174.6 | 172 | -112.4 | 0 | 0 | 0 | 111.7 | A229 W230 H233 Y276 L277 E278 R282 T283 S284 I659 | A229-W280 HydrophobicContact CB-CH2 4.17Å; A229-W280 HydrophobicContact CB-CZ3 4.47Å; W230-W280 VanDerWaalsContact CA-CZ3 3.42Å; W230-W280 HydrophobicContact CB-CH2 3.5Å; W230-W280 VanDerWaalsContact CB-CH2 3.5Å; W230-W280 HydrophobicContact CB-CZ2 3.49Å; W230-W280 VanDerWaalsContact CB-CZ2 3.49Å; W230-W280 HydrophobicContact CB-CZ3 4.08Å; W230-W280 AromaticContact CD1-CD2 3.75Å; W230-W280 AromaticContact CD1-CE2 3.5Å; W230-W280 VanDerWaalsContact CD1-CE2 3.5Å; W230-W280 AromaticContact CD1-CZ2 3.89Å; W230-W280 AromaticContact CD1-NE1 3.64Å; W230-W280 HydrophobicContact CG-CH2 4.4Å; W230-W280 HydrophobicContact CG-CZ2 4.06Å; W230-W280 VanDerWaalsContact N-CH2 3.29Å; H233-W280 HydrophobicContact CB-CE3 3.71Å; H233-W280 HydrophobicContact CB-CZ3 3.85Å; H233-W280 AromaticContact CD2-CE3 3.61Å; H233-W280 AromaticContact CG-CE3 3.63Å; Y276-W280 HydrophobicContact CE2-CB 4.47Å; Y276-W280 WeakPolarHBondContact O-CB 3.13Å; Y276-W280 PolarHBondContact O-N 2.76Å; L277-W280 PolarHBondContact O-N 3.46Å; E278-W280 VanDerWaalsContact C-N 3.35Å; W280-R282 VanDerWaalsContact C-N 3.27Å; W280-R282 PolarHBondContact O-N 2.76Å; W280-T283 HydrophobicContact CE3-CG2 4.47Å; W280-T283 HydrophobicContact CZ3-CG2 4.36Å; W280-T283 CarbonylContact O-C 3.59Å; W280-T283 PolarHBondContact O-N 3.09Å; W280-T283 VanDerWaalsContact O-N 3.08Å; W280-S284 VanDerWaalsContact O-CB 3.32Å; W280-S284 WeakPolarHBondContact O-CB 3.31Å; W280-S284 PolarHBondContact O-N 3.44Å; W280-I659 HydrophobicContact CZ2-CG2 3.75Å |
| 281 | K | 95.6 | Very high | 94.2 | Very high | 31 Ų | 31 | 36.8 Ų | 36.8 | 14% | 0.135 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.7 | -43.1 | 175.9 | -73.7 | 171.5 | -169.4 | 168.3 | 0 | 111.9 | L277 E278 S285 D667 | L277-K281 WeakPolarHBondContact O-CG 3.47Å; L277-K281 PolarHBondContact O-N 3.07Å; E278-K281 PolarHBondContact O-N 3.4Å; E278-K281 IonicContact OE1-NZ 2.97Å; E278-K281 PolarHBondContact OE1-NZ 2.86Å; E278-K281 IonicContact OE2-NZ 2.95Å; K281-S285 PolarHBondContact O-N 3.36Å; K281-D667 WeakPolarHBondContact CE-OD2 3.42Å; K281-D667 IonicContact NZ-OD1 3.7Å; K281-D667 PolarHBondContact NZ-OD1 2.9Å; K281-D667 IonicContact NZ-OD2 2.77Å; K281-D667 PolarHBondContact NZ-OD2 3.28Å; K281-D667 VanDerWaalsContact NZ-OD2 3.16Å |
| 282 | R | 94.9 | Very high | 94 | Very high | 89 Ų | 89 | 33.4 Ų | 33.4 | 34% | 0.336 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.9 | -42.1 | 175.5 | -69.2 | -179.5 | 69.1 | -150.5 | -0.5 | 113.2 | E278 H279 W280 S285 F286 P722 H723 | E278-R282 WeakPolarHBondContact O-CG 3.43Å; E278-R282 PolarHBondContact O-N 2.86Å; E278-R282 VanDerWaalsContact O-N 3.16Å; H279-R282 PolarHBondContact O-N 3.16Å; W280-R282 VanDerWaalsContact C-N 3.27Å; W280-R282 PolarHBondContact O-N 2.76Å; R282-S285 PolarHBondContact O-N 3.41Å; R282-F286 PolarHBondContact O-N 3.32Å; R282-P722 WeakPolarHBondContact CG-O 3.38Å; R282-H723 WeakPolarHBondContact CA-O 3.13Å |
| 283 | T | 94.5 | Very high | 93.5 | Very high | 33 Ų | 33 | 32.8 Ų | 32.8 | 20% | 0.202 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.5 | -42.6 | 178.1 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | H233 H279 W280 S285 F286 L287 | H233-T283 PolarHBondContact CE1-OG1 3.47Å; H233-T283 VanDerWaalsContact CE1-OG1 3.29Å; H279-T283 WeakPolarHBondContact O-CB 3.44Å; H279-T283 PolarHBondContact O-N 2.79Å; H279-T283 PolarHBondContact O-OG1 3.43Å; W280-T283 HydrophobicContact CE3-CG2 4.47Å; W280-T283 HydrophobicContact CZ3-CG2 4.36Å; W280-T283 CarbonylContact O-C 3.59Å; W280-T283 PolarHBondContact O-N 3.09Å; W280-T283 VanDerWaalsContact O-N 3.08Å; T283-S285 VanDerWaalsContact C-N 3.33Å; T283-S285 PolarHBondContact O-N 2.87Å; T283-F286 WeakPolarHBondContact O-CB 3.49Å; T283-F286 PolarHBondContact O-N 3.05Å; T283-L287 HydrophobicContact CG2-CD1 4.18Å; T283-L287 HydrophobicContact CG2-CG 4.49Å; T283-L287 WeakPolarHBondContact O-CG 3.41Å; T283-L287 PolarHBondContact O-N 2.84Å |
| 284 | S | 95 | Very high | 92.7 | Very high | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.063 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.3 | -44.7 | 174.2 | -178 | 0 | 0 | 0 | 0 | 110.9 | W280 L287 A288 | W280-S284 VanDerWaalsContact O-CB 3.32Å; W280-S284 WeakPolarHBondContact O-CB 3.31Å; W280-S284 PolarHBondContact O-N 3.44Å; S284-L287 PolarHBondContact O-N 2.93Å; S284-A288 WeakPolarHBondContact O-CB 3.36Å; S284-A288 PolarHBondContact O-N 3.33Å |
| 285 | S | 93.7 | Very high | 92 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 12% | 0.119 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 176 | -165.7 | 0 | 0 | 0 | 0 | 112.5 | K281 R282 T283 A288 Y289 H723 | K281-S285 PolarHBondContact O-N 3.36Å; R282-S285 PolarHBondContact O-N 3.41Å; T283-S285 VanDerWaalsContact C-N 3.33Å; T283-S285 PolarHBondContact O-N 2.87Å; S285-A288 PolarHBondContact O-N 3.43Å; S285-Y289 PolarHBondContact O-N 2.98Å; S285-H723 WeakPolarHBondContact CB-O 3.42Å |
| 286 | F | 94.3 | Very high | 91.2 | Very high | 65 Ų | 65 | 40.8 Ų | 40.8 | 29% | 0.285 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.3 | -45 | 174.5 | 171.2 | -101 | 0 | 0 | 0 | 112.4 | R282 T283 Y289 R290 P725 V728 | R282-F286 PolarHBondContact O-N 3.32Å; T283-F286 WeakPolarHBondContact O-CB 3.49Å; T283-F286 PolarHBondContact O-N 3.05Å; F286-Y289 PolarHBondContact O-N 3.33Å; F286-R290 WeakPolarHBondContact O-CB 3.32Å; F286-R290 PolarHBondContact O-N 3.44Å; F286-P725 HydrophobicContact CB-CG 4.16Å; F286-V728 HydrophobicContact CB-CG2 4.23Å; F286-V728 HydrophobicContact CD2-CG2 3.58Å; F286-V728 HydrophobicContact CE2-CG2 4.47Å; F286-V728 HydrophobicContact CG-CG2 4.39Å |
| 287 | L | 95 | Very high | 90.1 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.2 | -40.6 | 177.7 | -70.2 | 172.4 | 0 | 0 | 0 | 111.7 | F226 A229 T283 S284 Y289 R290 W291 | F226-L287 HydrophobicContact CE1-CB 3.97Å; F226-L287 HydrophobicContact CZ-CB 4.19Å; A229-L287 HydrophobicContact CB-CD1 3.62Å; T283-L287 HydrophobicContact CG2-CD1 4.18Å; T283-L287 HydrophobicContact CG2-CG 4.49Å; T283-L287 WeakPolarHBondContact O-CG 3.41Å; T283-L287 PolarHBondContact O-N 2.84Å; S284-L287 PolarHBondContact O-N 2.93Å; L287-Y289 VanDerWaalsContact C-N 3.28Å; L287-Y289 PolarHBondContact O-N 3.08Å; L287-R290 PolarHBondContact O-N 3.34Å; L287-W291 HydrophobicContact CB-CE3 4.23Å; L287-W291 HydrophobicContact CB-CH2 4.36Å; L287-W291 HydrophobicContact CB-CZ3 4.16Å; L287-W291 HydrophobicContact CD1-CH2 4.19Å; L287-W291 HydrophobicContact CD2-CH2 4.26Å; L287-W291 HydrophobicContact CD2-CZ2 3.95Å; L287-W291 WeakPolarHBondContact O-CB 3.47Å; L287-W291 PolarHBondContact O-N 3.11Å |
| 288 | A | 93.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F226 S284 S285 S292 S293 W294 N657 | F226-A288 HydrophobicContact CZ-CB 3.97Å; S284-A288 WeakPolarHBondContact O-CB 3.36Å; S284-A288 PolarHBondContact O-N 3.33Å; S285-A288 PolarHBondContact O-N 3.43Å; A288-S292 PolarHBondContact O-N 3.06Å; A288-S293 CarbonylContact O-C 3.5Å; A288-S293 PolarHBondContact O-N 3.1Å; A288-W294 HydrophobicContact CB-CB 4.43Å; A288-W294 PolarHBondContact O-N 3.29Å; A288-N657 WeakPolarHBondContact CB-O 3.16Å |
| 289 | Y | 90.8 | Very high | 88.5 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 18% | 0.18 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64 | -50.3 | 172.8 | 176.9 | -105.2 | 0 | 0 | 0 | 112.1 | S285 F286 L287 W291 S292 V728 Q731 I732 | S285-Y289 PolarHBondContact O-N 2.98Å; F286-Y289 PolarHBondContact O-N 3.33Å; L287-Y289 VanDerWaalsContact C-N 3.28Å; L287-Y289 PolarHBondContact O-N 3.08Å; Y289-W291 VanDerWaalsContact C-N 3.29Å; Y289-W291 PolarHBondContact O-N 3.06Å; Y289-S292 PolarHBondContact O-N 2.84Å; Y289-S292 VanDerWaalsContact O-N 3.17Å; Y289-V728 HydrophobicContact CD1-CG1 3.91Å; Y289-V728 HydrophobicContact CD1-CG2 4.24Å; Y289-V728 HydrophobicContact CD2-CG1 3.99Å; Y289-V728 HydrophobicContact CE1-CG1 4.46Å; Y289-V728 HydrophobicContact CG-CG1 3.64Å; Y289-Q731 HydrophobicContact CE1-CB 4.16Å; Y289-I732 HydrophobicContact CD2-CD1 4.12Å; Y289-I732 HydrophobicContact CD2-CG1 4.09Å; Y289-I732 HydrophobicContact CE2-CD1 3.94Å; Y289-I732 HydrophobicContact CE2-CG1 3.41Å; Y289-I732 VanDerWaalsContact CE2-CG1 3.41Å |
| 290 | R | 91.1 | Very high | 87.7 | Confident | 115 Ų | 115 | 50.8 Ų | 50.8 | 43% | 0.434 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.8 | -37 | -179.8 | 174.6 | 175.8 | 163.1 | 166.1 | -12.9 | 112.9 | D214 F286 L287 S292 | D214-R290 IonicContact OD1-CZ 3.14Å; D214-R290 VanDerWaalsContact OD1-CZ 3.28Å; D214-R290 IonicContact OD1-NE 3.12Å; D214-R290 PolarHBondContact OD1-NE 2.78Å; D214-R290 IonicContact OD1-NH2 2.85Å; D214-R290 PolarHBondContact OD1-NH2 3.49Å; D214-R290 IonicContact OD2-CZ 3.32Å; D214-R290 VanDerWaalsContact OD2-CZ 3.31Å; D214-R290 IonicContact OD2-NE 3.96Å; D214-R290 PolarHBondContact OD2-NE 3Å; D214-R290 IonicContact OD2-NH2 3.91Å; D214-R290 PolarHBondContact OD2-NH2 3.47Å; F286-R290 WeakPolarHBondContact O-CB 3.32Å; F286-R290 PolarHBondContact O-N 3.44Å; L287-R290 PolarHBondContact O-N 3.34Å; R290-S292 VanDerWaalsContact C-N 3.3Å |
| 291 | W | 92.4 | Very high | 86.9 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 4% | 0.038 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 12.2 | -179.1 | -64.2 | -25 | 0 | 0 | 0 | 114.1 | L213 D214 K217 T222 A225 F226 A229 L287 Y289 S293 | L213-W291 HydrophobicContact CB-CH2 4.47Å; L213-W291 HydrophobicContact CB-CZ2 3.82Å; D214-W291 PolarHBondContact OD1-NE1 2.73Å; K217-W291 HydrophobicContact CD-CG 4.35Å; K217-W291 HydrophobicContact CG-CD2 4.21Å; K217-W291 HydrophobicContact CG-CG 4.08Å; T222-W291 HydrophobicContact CG2-CB 4.38Å; A225-W291 HydrophobicContact CB-CE3 4.5Å; A225-W291 HydrophobicContact CB-CH2 3.62Å; A225-W291 HydrophobicContact CB-CZ2 4.12Å; A225-W291 HydrophobicContact CB-CZ3 3.84Å; F226-W291 HydrophobicContact CD1-CZ3 4.02Å; F226-W291 AromaticContact CD2-CE3 3.99Å; F226-W291 HydrophobicContact CD2-CE3 3.99Å; F226-W291 AromaticContact CD2-CZ3 3.71Å; F226-W291 HydrophobicContact CD2-CZ3 3.71Å; F226-W291 HydrophobicContact CE1-CE3 4.44Å; F226-W291 HydrophobicContact CE1-CZ3 4.06Å; F226-W291 AromaticContact CE2-CE3 3.59Å; F226-W291 HydrophobicContact CE2-CE3 3.59Å; F226-W291 AromaticContact CE2-CZ3 3.72Å; F226-W291 HydrophobicContact CE2-CZ3 3.72Å; F226-W291 AromaticContact CG-CZ3 3.84Å; F226-W291 HydrophobicContact CG-CZ3 3.84Å; F226-W291 AromaticContact CZ-CE3 3.86Å; F226-W291 HydrophobicContact CZ-CE3 3.86Å; F226-W291 AromaticContact CZ-CZ3 3.91Å; F226-W291 HydrophobicContact CZ-CZ3 3.91Å; A229-W291 HydrophobicContact CB-CH2 4.1Å; L287-W291 HydrophobicContact CB-CE3 4.23Å; L287-W291 HydrophobicContact CB-CH2 4.36Å; L287-W291 HydrophobicContact CB-CZ3 4.16Å; L287-W291 HydrophobicContact CD1-CH2 4.19Å; L287-W291 HydrophobicContact CD2-CH2 4.26Å; L287-W291 HydrophobicContact CD2-CZ2 3.95Å; L287-W291 WeakPolarHBondContact O-CB 3.47Å; L287-W291 PolarHBondContact O-N 3.11Å; Y289-W291 VanDerWaalsContact C-N 3.29Å; Y289-W291 PolarHBondContact O-N 3.06Å; W291-S293 PolarHBondContact O-N 3.45Å |
| 292 | S | 87.8 | Confident | 86.2 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 12.8 | -178.3 | -46.9 | 0 | 0 | 0 | 0 | 114.4 | L117 A288 Y289 R290 | L117-S292 WeakPolarHBondContact CD1-OG 3.41Å; A288-S292 PolarHBondContact O-N 3.06Å; Y289-S292 PolarHBondContact O-N 2.84Å; Y289-S292 VanDerWaalsContact O-N 3.17Å; R290-S292 VanDerWaalsContact C-N 3.3Å |
| 293 | S | 86.1 | Confident | 85.5 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | trans | -99.5 | 17.9 | -176.8 | 70.1 | 0 | 0 | 0 | 0 | 113.8 | A288 W291 F655 A656 N657 | A288-S293 CarbonylContact O-C 3.5Å; A288-S293 PolarHBondContact O-N 3.1Å; W291-S293 PolarHBondContact O-N 3.45Å; S293-F655 VanDerWaalsContact CA-CE2 3.45Å; S293-F655 VanDerWaalsContact CA-CZ 3.43Å; S293-F655 VanDerWaalsContact CB-CE2 3.5Å; S293-F655 WeakPolarHBondContact O-CZ 3.48Å; S293-A656 WeakPolarHBondContact CB-O 3.22Å; S293-A656 PolarHBondContact OG-O 3.41Å; S293-N657 WeakPolarHBondContact O-CA 3.16Å; S293-N657 WeakPolarHBondContact O-CB 3.26Å | ||
| 294 | W | 79.2 | Confident | 84.9 | Confident | 111 Ų | 111 | 56 Ų | 56 | 42% | 0.42 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -70.5 | -41.3 | 179.3 | -161.5 | 79.1 | 0 | 0 | 0 | 112.7 | A288 T724 | A288-W294 HydrophobicContact CB-CB 4.43Å; A288-W294 PolarHBondContact O-N 3.29Å; W294-T724 HydrophobicContact CZ2-CG2 4.2Å |
| 295 | D | 78.9 | Confident | 84.5 | Confident | 87 Ų | 87 | 56.4 Ų | 56.4 | 47% | 0.465 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -88.1 | 119.9 | 177.5 | -58.8 | -47.6 | 0 | 0 | 0 | 110.3 | K106 F655 | K106-D295 IonicContact NZ-OD2 2.84Å; K106-D295 PolarHBondContact NZ-OD2 3.22Å; D295-F655 WeakPolarHBondContact O-CZ 3.33Å |
| 296 | T | 74.8 | Confident | 83.8 | Confident | 91 Ų | 91 | 58.5 Ų | 58.5 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 136.9 | 174.6 | 51.8 | 0 | 0 | 0 | 0 | 110.8 | N657 | T296-N657 VanDerWaalsContact CG2-ND2 3.31Å; T296-N657 WeakPolarHBondContact CG2-ND2 3.49Å |
| 297 | P | 72.2 | Confident | 83.2 | Confident | 66 Ų | 66 | 60.2 Ų | 60.2 | 43% | 0.429 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 152.6 | 168.2 | 23.5 | -31.7 | 0 | 0 | 0 | 111 | S299 E302 | P297-S299 PolarHBondContact O-N 2.91Å; P297-E302 WeakPolarHBondContact CG-OE1 3.43Å |
| 298 | I | 77.9 | Confident | 82.8 | Confident | 98 Ų | 98 | 60 Ų | 60 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | trans | -69.9 | 110.3 | -179.9 | -60.2 | 163.8 | 0 | 0 | 0 | 107.6 | L300 L301 | I298-L300 HydrophobicContact CG2-CB 4.18Å; I298-L300 PolarHBondContact O-N 3.48Å; I298-L301 HydrophobicContact CB-CD1 4.19Å; I298-L301 HydrophobicContact CB-CG 4.31Å; I298-L301 HydrophobicContact CD1-CD1 4.21Å; I298-L301 HydrophobicContact CG2-CG 4.4Å; I298-L301 PolarHBondContact O-N 3.34Å | ||
| 299 | S | 79.4 | Confident | 82.3 | Confident | 61 Ų | 61 | 67.5 Ų | 67.5 | 43% | 0.427 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -50.9 | -31.4 | -176.7 | 62.5 | 0 | 0 | 0 | 0 | 113.9 | P297 L301 E302 R412 | P297-S299 PolarHBondContact O-N 2.91Å; S299-L301 VanDerWaalsContact C-N 3.26Å; S299-L301 PolarHBondContact O-N 3.25Å; S299-E302 PolarHBondContact O-N 2.85Å; S299-R412 PolarHBondContact O-NH2 3.43Å |
| 300 | L | 78.8 | Confident | 82.1 | Confident | 101 Ų | 101 | 67 Ų | 67 | 53% | 0.529 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -64.8 | -26.1 | 177.8 | -67.1 | 172.9 | 0 | 0 | 0 | 114 | I298 I317 | I298-L300 HydrophobicContact CG2-CB 4.18Å; I298-L300 PolarHBondContact O-N 3.48Å; L300-I317 HydrophobicContact CB-CD1 4.05Å; L300-I317 HydrophobicContact CD1-CD1 3.86Å |
| 301 | L | 79.4 | Confident | 81.8 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 45% | 0.45 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -88.5 | -15.8 | 179.9 | -61.2 | 178.5 | 0 | 0 | 0 | 113 | I298 S299 I317 | I298-L301 HydrophobicContact CB-CD1 4.19Å; I298-L301 HydrophobicContact CB-CG 4.31Å; I298-L301 HydrophobicContact CD1-CD1 4.21Å; I298-L301 HydrophobicContact CG2-CG 4.4Å; I298-L301 PolarHBondContact O-N 3.34Å; S299-L301 VanDerWaalsContact C-N 3.26Å; S299-L301 PolarHBondContact O-N 3.25Å; L301-I317 HydrophobicContact CD2-CG2 4.33Å |
| 302 | E | 80.7 | Confident | 81.3 | Confident | 61 Ų | 61 | 71.4 Ų | 71.4 | 29% | 0.285 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -68.5 | 140.8 | 177.6 | -68.8 | 176.8 | -166.6 | 0 | 0 | 112.1 | P297 S299 L413 | P297-E302 WeakPolarHBondContact CG-OE1 3.43Å; S299-E302 PolarHBondContact O-N 2.85Å; E302-L413 HydrophobicContact CB-CD2 3.73Å |
| 303 | E | 79 | Confident | 81.1 | Confident | 70 Ų | 70 | 72.1 Ų | 72.1 | 33% | 0.327 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 140.2 | 178.9 | -61.4 | -158.7 | 139.3 | 0 | 0 | 111.4 | R155 | R155-E303 IonicContact CZ-OE1 3.37Å; R155-E303 IonicContact NH2-OE1 3.81Å; R155-E303 PolarHBondContact NH2-OE1 3.23Å |
| 304 | P | 82.5 | Confident | 81.1 | Confident | 45 Ų | 45 | 78.3 Ų | 78.3 | 29% | 0.292 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 150.3 | 178.1 | 30.3 | -35.2 | 0 | 0 | 0 | 111.5 | F308 R412 | P304-F308 HydrophobicContact CB-CB 4.49Å; P304-F308 HydrophobicContact CB-CD1 4.23Å; P304-R412 WeakPolarHBondContact CA-O 3.3Å; P304-R412 HydrophobicContact CB-CG 3.89Å |
| 305 | R | 86.8 | Confident | 81.1 | Confident | 18 Ų | 18 | 74 Ų | 74 | 7% | 0.068 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 142 | 174.2 | -177.5 | 177.5 | 71.8 | 114.3 | 2 | 111.7 | L307 F308 D407 R412 E414 | R305-L307 VanDerWaalsContact C-N 3.26Å; R305-L307 PolarHBondContact O-N 3.47Å; R305-L307 VanDerWaalsContact O-N 3.13Å; R305-F308 HydrophobicContact CB-CB 4.34Å; R305-F308 WeakPolarHBondContact O-CB 3.41Å; R305-F308 PolarHBondContact O-N 3.5Å; R305-D407 IonicContact NH1-OD1 3.28Å; R305-D407 IonicContact NH2-OD1 3.31Å; R305-R412 WeakPolarHBondContact CB-O 3.16Å; R305-R412 PolarHBondContact N-O 2.61Å; R305-E414 WeakPolarHBondContact CD-OE2 3.4Å; R305-E414 WeakPolarHBondContact CG-OE2 3.42Å |
| 306 | P | 78.1 | Confident | 81.3 | Confident | 60 Ų | 60 | 76.2 Ų | 76.2 | 39% | 0.39 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -39.7 | 179.7 | -30.6 | 35.2 | 0 | 0 | 0 | 115.1 | P176 F308 | P176-P306 HydrophobicContact CB-CB 3.77Å; P176-P306 HydrophobicContact CB-CG 3.88Å; P176-P306 HydrophobicContact CG-CG 4.41Å; P306-F308 VanDerWaalsContact C-N 3.33Å |
| 307 | L | 82 | Confident | 81.8 | Confident | 102 Ų | 102 | 76.8 Ų | 76.8 | 53% | 0.534 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | 5.3 | -177 | -63.3 | 173.8 | 0 | 0 | 0 | 113.4 | R305 K309 | R305-L307 VanDerWaalsContact C-N 3.26Å; R305-L307 PolarHBondContact O-N 3.47Å; R305-L307 VanDerWaalsContact O-N 3.13Å; L307-K309 PolarHBondContact O-N 3.35Å |
| 308 | F | 86.5 | Confident | 82.2 | Confident | 6 Ų | 6 | 76.8 Ų | 76.8 | 3% | 0.026 | 42% | 0.424 | C | S | . | . | trans | -69.4 | 127.4 | -180 | 179.8 | -106.6 | 0 | 0 | 0 | 111.8 | P304 R305 P306 R323 N410 H411 R412 | P304-F308 HydrophobicContact CB-CB 4.49Å; P304-F308 HydrophobicContact CB-CD1 4.23Å; R305-F308 HydrophobicContact CB-CB 4.34Å; R305-F308 WeakPolarHBondContact O-CB 3.41Å; R305-F308 PolarHBondContact O-N 3.5Å; P306-F308 VanDerWaalsContact C-N 3.33Å; F308-R323 HydrophobicContact CD1-CB 3.79Å; F308-R323 HydrophobicContact CE1-CB 3.78Å; F308-R323 WeakPolarHBondContact CE1-O 3.46Å; F308-N410 VanDerWaalsContact CD2-OD1 3.29Å; F308-N410 WeakPolarHBondContact CD2-OD1 3.34Å; F308-N410 WeakPolarHBondContact CE2-ND2 3.29Å; F308-N410 WeakPolarHBondContact CE2-O 3.32Å; F308-H411 WeakPolarHBondContact CD2-O 3.32Å; F308-R412 HydrophobicContact CD1-CG 4.44Å; F308-R412 VanDerWaalsContact CD2-CA 3.48Å; F308-R412 HydrophobicContact CD2-CB 4.23Å; F308-R412 HydrophobicContact CE1-CG 4.29Å; F308-R412 HydrophobicContact CE2-CB 3.88Å; F308-R412 HydrophobicContact CE2-CG 4.48Å; F308-R412 HydrophobicContact CZ-CB 4.02Å; F308-R412 HydrophobicContact CZ-CG 4.27Å | ||
| 309 | K | 84.9 | Confident | 82.3 | Confident | 158 Ų | 158 | 74.5 Ų | 74.5 | 69% | 0.687 | 43% | 0.425 | S | S | * | . | trans | -101.5 | 141.9 | 179.5 | -61.4 | 178.1 | -176.4 | 175 | 0 | 110.2 | L307 N410 | L307-K309 PolarHBondContact O-N 3.35Å; K309-N410 PolarHBondContact N-OD1 2.93Å; K309-N410 PolarHBondContact O-ND2 3.06Å | ||
| 310 | G | 85.3 | Confident | 82.2 | Confident | 35 Ų | 35 | 77.9 Ų | 77.9 | 36% | 0.361 | 43% | 0.428 | S | S | . | . | trans | -178.9 | 172.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T324 | G310-T324 CarbonylContact C-O 3.48Å; G310-T324 VanDerWaalsContact CA-O 3.23Å; G310-T324 WeakPolarHBondContact CA-O 3.17Å | ||
| 311 | I | 85.2 | Confident | 82.3 | Confident | 125 Ų | 125 | 75.8 Ų | 75.8 | 64% | 0.641 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 139.9 | 171.6 | -58.3 | 163.8 | 0 | 0 | 0 | 107.1 | S313 R323 T324 | I311-S313 PolarHBondContact O-N 2.67Å; I311-R323 CarbonylContact O-C 3.47Å; I311-R323 WeakPolarHBondContact O-CA 3.42Å; I311-T324 PolarHBondContact N-O 3.08Å; I311-T324 PolarHBondContact O-N 3.47Å |
| 312 | L | 81.9 | Confident | 82.4 | Confident | 94 Ų | 94 | 73.4 Ų | 73.4 | 49% | 0.492 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 114.3 | 173 | -69.4 | 165.9 | 0 | 0 | 0 | 108.8 | P321 R323 | L312-P321 HydrophobicContact CD2-CB 4.48Å; L312-R323 HydrophobicContact CD2-CG 3.94Å |
| 313 | S | 83.5 | Confident | 82.5 | Confident | 38 Ų | 38 | 74 Ų | 74 | 27% | 0.266 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 146.6 | 173.9 | 61.3 | 0 | 0 | 0 | 0 | 109.7 | I311 C315 I322 T324 | I311-S313 PolarHBondContact O-N 2.67Å; S313-C315 PolarHBondContact O-N 3.12Å; S313-I322 PolarHBondContact N-O 2.82Å; S313-I322 PolarHBondContact O-N 2.65Å; S313-I322 PolarHBondContact OG-O 3.43Å; S313-T324 WeakPolarHBondContact CB-OG1 3.23Å; S313-T324 WeakPolarHBondContact OG-CB 3.41Å; S313-T324 WeakPolarHBondContact OG-CG2 3.23Å; S313-T324 PolarHBondContact OG-OG1 3.47Å |
| 314 | L | 85.3 | Confident | 82.8 | Confident | 131 Ų | 131 | 73.6 Ų | 73.6 | 69% | 0.686 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 132.7 | 173.5 | -65.5 | 164.3 | 0 | 0 | 0 | 109.9 | G319 | L314-G319 VanDerWaalsContact CD2-O 3.23Å; L314-G319 WeakPolarHBondContact CD2-O 3.25Å |
| 315 | C | 79.5 | Confident | 83.1 | Confident | 22 Ų | 22 | 73.3 Ų | 73.3 | 15% | 0.149 | 40% | 0.403 | C | S | . | . | trans | -65.7 | 134.1 | 171.7 | -89.2 | 0 | 0 | 0 | 0 | 110.9 | S313 I317 T318 G319 R320 I322 | S313-C315 PolarHBondContact O-N 3.12Å; C315-I317 PolarHBondContact O-N 3.19Å; C315-T318 WeakPolarHBondContact CB-OG1 3.12Å; C315-G319 WeakPolarHBondContact O-CA 3.48Å; C315-G319 PolarHBondContact O-N 3.13Å; C315-R320 PolarHBondContact N-O 2.81Å; C315-I322 VanDerWaalsContact SG-CB 3.52Å; C315-I322 WeakPolarHBondContact SG-CD1 3.4Å; C315-I322 WeakPolarHBondContact SG-CG1 3.44Å | ||
| 316 | P | 84.4 | Confident | 83.4 | Confident | 132 Ų | 132 | 74.6 Ų | 74.6 | 86% | 0.857 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -22.7 | 177.3 | 26.8 | -33.7 | 0 | 0 | 0 | 112.5 | ||
| 317 | I | 85.6 | Confident | 84 | Confident | 104 Ų | 104 | 79.5 Ų | 79.5 | 53% | 0.533 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -54 | -175 | -60.3 | 160.1 | 0 | 0 | 0 | 111.2 | L300 L301 C315 | L300-I317 HydrophobicContact CB-CD1 4.05Å; L300-I317 HydrophobicContact CD1-CD1 3.86Å; L301-I317 HydrophobicContact CD2-CG2 4.33Å; C315-I317 PolarHBondContact O-N 3.19Å |
| 318 | T | 80.1 | Confident | 84.6 | Confident | 65 Ų | 65 | 83 Ų | 83 | 40% | 0.399 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -12.7 | -173.9 | 60.3 | 0 | 0 | 0 | 0 | 113.6 | C315 R320 | C315-T318 WeakPolarHBondContact CB-OG1 3.12Å; T318-R320 PolarHBondContact O-N 3.29Å; T318-R320 VanDerWaalsContact O-N 3.1Å; T318-R320 PolarHBondContact OG1-N 2.94Å |
| 319 | G | 79.7 | Confident | 84.9 | Confident | 51 Ų | 51 | 87.4 Ų | 87.4 | 53% | 0.526 | 45% | 0.454 | S | S | . | . | trans | 67.1 | 0.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L314 C315 | L314-G319 VanDerWaalsContact CD2-O 3.23Å; L314-G319 WeakPolarHBondContact CD2-O 3.25Å; C315-G319 WeakPolarHBondContact O-CA 3.48Å; C315-G319 PolarHBondContact O-N 3.13Å | ||
| 320 | R | 78 | Confident | 85.3 | Confident | 132 Ų | 132 | 82.5 Ų | 82.5 | 50% | 0.498 | 43% | 0.432 | S | S | . | . | trans | -83.9 | 150.2 | -176.4 | -63 | 177.3 | -175.4 | 176.1 | -0.7 | 111.8 | C315 T318 I322 | C315-R320 PolarHBondContact N-O 2.81Å; T318-R320 PolarHBondContact O-N 3.29Å; T318-R320 VanDerWaalsContact O-N 3.1Å; T318-R320 PolarHBondContact OG1-N 2.94Å; R320-I322 PolarHBondContact O-N 2.99Å | ||
| 321 | P | 79.7 | Confident | 85.7 | Confident | 57 Ų | 57 | 85.8 Ų | 85.8 | 37% | 0.37 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 116.9 | 173.5 | 29.1 | -33.5 | 0 | 0 | 0 | 110.3 | L312 | L312-P321 HydrophobicContact CD2-CB 4.48Å |
| 322 | I | 80.9 | Confident | 86.2 | Confident | 36 Ų | 36 | 83.7 Ų | 83.7 | 19% | 0.185 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 141.9 | 174 | -64.3 | -162 | 0 | 0 | 0 | 109.3 | S313 C315 R320 T324 | S313-I322 PolarHBondContact N-O 2.82Å; S313-I322 PolarHBondContact O-N 2.65Å; S313-I322 PolarHBondContact OG-O 3.43Å; C315-I322 VanDerWaalsContact SG-CB 3.52Å; C315-I322 WeakPolarHBondContact SG-CD1 3.4Å; C315-I322 WeakPolarHBondContact SG-CG1 3.44Å; R320-I322 PolarHBondContact O-N 2.99Å; I322-T324 PolarHBondContact O-N 2.86Å |
| 323 | R | 83.2 | Confident | 86.8 | Confident | 74 Ų | 74 | 79.8 Ų | 79.8 | 28% | 0.279 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 124.9 | 171.4 | -66.2 | -178.6 | -176.5 | 131.4 | 7.9 | 108.6 | F308 I311 L312 | F308-R323 HydrophobicContact CD1-CB 3.79Å; F308-R323 HydrophobicContact CE1-CB 3.78Å; F308-R323 WeakPolarHBondContact CE1-O 3.46Å; I311-R323 CarbonylContact O-C 3.47Å; I311-R323 WeakPolarHBondContact O-CA 3.42Å; L312-R323 HydrophobicContact CD2-CG 3.94Å |
| 324 | T | 85.5 | Confident | 87.3 | Confident | 60 Ų | 60 | 79.8 Ų | 79.8 | 37% | 0.368 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 151 | 171.2 | 57.2 | 0 | 0 | 0 | 0 | 111 | G310 I311 S313 I322 | G310-T324 CarbonylContact C-O 3.48Å; G310-T324 VanDerWaalsContact CA-O 3.23Å; G310-T324 WeakPolarHBondContact CA-O 3.17Å; I311-T324 PolarHBondContact N-O 3.08Å; I311-T324 PolarHBondContact O-N 3.47Å; S313-T324 WeakPolarHBondContact CB-OG1 3.23Å; S313-T324 WeakPolarHBondContact OG-CB 3.41Å; S313-T324 WeakPolarHBondContact OG-CG2 3.23Å; S313-T324 PolarHBondContact OG-OG1 3.47Å; I322-T324 PolarHBondContact O-N 2.86Å |
| 325 | Y | 89.8 | Confident | 87.7 | Confident | 40 Ų | 40 | 76.8 Ų | 76.8 | 16% | 0.157 | 40% | 0.396 | C | S | . | . | trans | -125.8 | 129.3 | 178.7 | -171.6 | -89.5 | 0 | 0 | 0 | 109.3 | K327 K329 R330 I333 N410 | Y325-K327 PolarHBondContact O-N 2.77Å; Y325-K329 HydrophobicContact CE1-CB 4.15Å; Y325-K329 HydrophobicContact CE1-CD 4.42Å; Y325-K329 HydrophobicContact CE1-CG 4.32Å; Y325-K329 HydrophobicContact CE2-CD 4.33Å; Y325-K329 WeakPolarHBondContact OH-CD 3.32Å; Y325-K329 WeakPolarHBondContact OH-CE 3.39Å; Y325-K329 WeakPolarHBondContact OH-CG 3.21Å; Y325-R330 HydrophobicContact CD1-CB 4.13Å; Y325-R330 HydrophobicContact CE1-CB 3.76Å; Y325-I333 VanDerWaalsContact OH-CD1 3.24Å; Y325-I333 WeakPolarHBondContact OH-CD1 3.38Å; Y325-N410 WeakPolarHBondContact CD2-ND2 3.49Å | ||
| 326 | P | 92 | Very high | 88.5 | Confident | 44 Ų | 44 | 83.2 Ų | 83.2 | 29% | 0.286 | 42% | 0.421 | S | S | . | . | trans | -63.9 | 125.4 | -177.1 | 21.1 | -29.4 | 0 | 0 | 0 | 111.9 | W328 K329 R330 | P326-W328 VanDerWaalsContact C-N 3.33Å; P326-W328 PolarHBondContact O-N 3.34Å; P326-K329 HydrophobicContact CB-CB 4.34Å; P326-K329 HydrophobicContact CG-CB 3.87Å; P326-K329 HydrophobicContact CG-CD 4.25Å; P326-K329 PolarHBondContact O-N 2.7Å; P326-R330 PolarHBondContact O-N 3.02Å | ||
| 327 | K | 90.9 | Very high | 88.9 | Confident | 164 Ų | 164 | 79.8 Ų | 79.8 | 71% | 0.713 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.1 | -38 | -177.5 | -64.7 | -175.7 | -178.8 | -179.7 | 0 | 113 | Y325 K329 R330 L331 | Y325-K327 PolarHBondContact O-N 2.77Å; K327-K329 VanDerWaalsContact C-N 3.34Å; K327-K329 PolarHBondContact O-N 2.74Å; K327-R330 PolarHBondContact O-N 3.17Å; K327-L331 PolarHBondContact O-N 2.96Å |
| 328 | W | 94 | Very high | 89.3 | Confident | 174 Ų | 174 | 75 Ų | 75 | 66% | 0.659 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.8 | -40.2 | 179.4 | 66.7 | -95 | 0 | 0 | 0 | 111.8 | P326 R330 L331 L332 | P326-W328 VanDerWaalsContact C-N 3.33Å; P326-W328 PolarHBondContact O-N 3.34Å; W328-R330 PolarHBondContact O-N 3.49Å; W328-L331 PolarHBondContact O-N 3.45Å; W328-L332 HydrophobicContact CE3-CD1 3.62Å; W328-L332 HydrophobicContact CE3-CG 4.47Å; W328-L332 HydrophobicContact CZ3-CD1 3.68Å; W328-L332 WeakPolarHBondContact O-CG 3.44Å; W328-L332 PolarHBondContact O-N 3.49Å |
| 329 | K | 93.5 | Very high | 90 | Very high | 99 Ų | 99 | 75.8 Ų | 75.8 | 43% | 0.43 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 176.4 | -172.9 | 178.8 | 175.5 | 176 | 0 | 111 | Y325 P326 K327 L331 L332 I333 | Y325-K329 HydrophobicContact CE1-CB 4.15Å; Y325-K329 HydrophobicContact CE1-CD 4.42Å; Y325-K329 HydrophobicContact CE1-CG 4.32Å; Y325-K329 HydrophobicContact CE2-CD 4.33Å; Y325-K329 WeakPolarHBondContact OH-CD 3.32Å; Y325-K329 WeakPolarHBondContact OH-CE 3.39Å; Y325-K329 WeakPolarHBondContact OH-CG 3.21Å; P326-K329 HydrophobicContact CB-CB 4.34Å; P326-K329 HydrophobicContact CG-CB 3.87Å; P326-K329 HydrophobicContact CG-CD 4.25Å; P326-K329 PolarHBondContact O-N 2.7Å; K327-K329 VanDerWaalsContact C-N 3.34Å; K327-K329 PolarHBondContact O-N 2.74Å; K329-L331 VanDerWaalsContact C-N 3.35Å; K329-L332 PolarHBondContact O-N 3.37Å; K329-I333 HydrophobicContact CG-CD1 4.48Å; K329-I333 WeakPolarHBondContact O-CG1 3.41Å; K329-I333 PolarHBondContact O-N 3.38Å |
| 330 | R | 94.2 | Very high | 90.7 | Very high | 55 Ų | 55 | 76.3 Ų | 76.3 | 21% | 0.208 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 174.8 | -172.5 | 168.1 | 62.1 | -142.8 | 4.8 | 111.3 | Y325 P326 K327 W328 L332 I333 L334 E409 | Y325-R330 HydrophobicContact CD1-CB 4.13Å; Y325-R330 HydrophobicContact CE1-CB 3.76Å; P326-R330 PolarHBondContact O-N 3.02Å; K327-R330 PolarHBondContact O-N 3.17Å; W328-R330 PolarHBondContact O-N 3.49Å; R330-L332 VanDerWaalsContact C-N 3.34Å; R330-L332 PolarHBondContact O-N 3.18Å; R330-I333 WeakPolarHBondContact O-CB 3.27Å; R330-I333 PolarHBondContact O-N 2.94Å; R330-L334 HydrophobicContact CG-CD1 4.02Å; R330-L334 HydrophobicContact CG-CG 4.36Å; R330-L334 WeakPolarHBondContact O-CB 3.34Å; R330-L334 VanDerWaalsContact O-CG 3.32Å; R330-L334 WeakPolarHBondContact O-CG 3.34Å; R330-L334 PolarHBondContact O-N 3.2Å; R330-E409 VanDerWaalsContact CD-O 3.29Å; R330-E409 WeakPolarHBondContact CD-O 3.13Å; R330-E409 WeakPolarHBondContact CG-O 3.18Å |
| 331 | L | 93.4 | Very high | 91.5 | Very high | 104 Ų | 104 | 72.6 Ų | 72.6 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 177.8 | -176.2 | 62.5 | 0 | 0 | 0 | 111.7 | K327 W328 K329 I333 L334 C335 | K327-L331 PolarHBondContact O-N 2.96Å; W328-L331 PolarHBondContact O-N 3.45Å; K329-L331 VanDerWaalsContact C-N 3.35Å; L331-I333 PolarHBondContact O-N 3.01Å; L331-L334 PolarHBondContact O-N 3.38Å; L331-C335 WeakPolarHBondContact O-CB 3.36Å; L331-C335 PolarHBondContact O-N 2.89Å; L331-C335 PolarHBondContact O-SG 2.9Å; L331-C335 VanDerWaalsContact O-SG 3.34Å |
| 332 | L | 95.3 | Very high | 92.2 | Very high | 81 Ų | 81 | 70.5 Ų | 70.5 | 42% | 0.424 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.3 | -44.5 | 174.2 | -70.5 | 176.9 | 0 | 0 | 0 | 111.9 | W328 K329 R330 L334 C335 F336 | W328-L332 HydrophobicContact CE3-CD1 3.62Å; W328-L332 HydrophobicContact CE3-CG 4.47Å; W328-L332 HydrophobicContact CZ3-CD1 3.68Å; W328-L332 WeakPolarHBondContact O-CG 3.44Å; W328-L332 PolarHBondContact O-N 3.49Å; K329-L332 PolarHBondContact O-N 3.37Å; R330-L332 VanDerWaalsContact C-N 3.34Å; R330-L332 PolarHBondContact O-N 3.18Å; L332-L334 VanDerWaalsContact C-N 3.32Å; L332-L334 PolarHBondContact O-N 3.32Å; L332-C335 PolarHBondContact O-N 3.33Å; L332-F336 HydrophobicContact CD2-CD2 3.99Å; L332-F336 HydrophobicContact CD2-CE2 3.74Å; L332-F336 WeakPolarHBondContact O-CB 3.17Å; L332-F336 WeakPolarHBondContact O-CD2 3.43Å; L332-F336 PolarHBondContact O-N 3.45Å |
| 333 | I | 94.8 | Very high | 92.8 | Very high | 13 Ų | 13 | 73.6 Ų | 73.6 | 7% | 0.067 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 175.1 | -69.7 | 170.8 | 0 | 0 | 0 | 110.6 | Y325 K329 R330 L331 I337 T338 F408 E409 | Y325-I333 VanDerWaalsContact OH-CD1 3.24Å; Y325-I333 WeakPolarHBondContact OH-CD1 3.38Å; K329-I333 HydrophobicContact CG-CD1 4.48Å; K329-I333 WeakPolarHBondContact O-CG1 3.41Å; K329-I333 PolarHBondContact O-N 3.38Å; R330-I333 WeakPolarHBondContact O-CB 3.27Å; R330-I333 PolarHBondContact O-N 2.94Å; L331-I333 PolarHBondContact O-N 3.01Å; I333-I337 HydrophobicContact CG1-CD1 4.48Å; I333-I337 WeakPolarHBondContact O-CA 3.21Å; I333-I337 WeakPolarHBondContact O-CB 3.37Å; I333-I337 PolarHBondContact O-N 3.27Å; I333-T338 HydrophobicContact CG2-CG2 3.86Å; I333-T338 PolarHBondContact O-N 2.86Å; I333-F408 HydrophobicContact CB-CE1 4.31Å; I333-F408 HydrophobicContact CD1-CD1 4.22Å; I333-F408 HydrophobicContact CD1-CE1 3.83Å; I333-F408 HydrophobicContact CD1-CZ 4.36Å; I333-F408 HydrophobicContact CG1-CD1 4.36Å; I333-F408 HydrophobicContact CG1-CE1 3.79Å; I333-F408 HydrophobicContact CG2-CD1 3.4Å; I333-F408 VanDerWaalsContact CG2-CD1 3.4Å; I333-F408 HydrophobicContact CG2-CE1 3.63Å; I333-E409 HydrophobicContact CG2-CG 4.29Å |
| 334 | L | 93.7 | Very high | 93.3 | Very high | 38 Ų | 38 | 76.5 Ų | 76.5 | 20% | 0.199 | 38% | 0.377 | C | S | . | . | I | π-helix | trans | -60.5 | -50.1 | -180 | -75.1 | 168 | 0 | 0 | 0 | 111.2 | R330 L331 L332 T338 T339 E409 | R330-L334 HydrophobicContact CG-CD1 4.02Å; R330-L334 HydrophobicContact CG-CG 4.36Å; R330-L334 WeakPolarHBondContact O-CB 3.34Å; R330-L334 VanDerWaalsContact O-CG 3.32Å; R330-L334 WeakPolarHBondContact O-CG 3.34Å; R330-L334 PolarHBondContact O-N 3.2Å; L331-L334 PolarHBondContact O-N 3.38Å; L332-L334 VanDerWaalsContact C-N 3.32Å; L332-L334 PolarHBondContact O-N 3.32Å; L334-T338 WeakPolarHBondContact CA-OG1 3.41Å; L334-T338 HydrophobicContact CD2-CG2 4.37Å; L334-T338 PolarHBondContact O-OG1 3.18Å; L334-T339 WeakPolarHBondContact O-CB 3.44Å; L334-T339 PolarHBondContact O-N 3.12Å; L334-T339 PolarHBondContact O-OG1 3.2Å; L334-E409 HydrophobicContact CD2-CG 3.61Å; L334-E409 HydrophobicContact CG-CG 4.27Å |
| 335 | C | 93.5 | Very high | 93.5 | Very high | 68 Ų | 68 | 74.4 Ų | 74.4 | 46% | 0.459 | 37% | 0.365 | S | S | . | . | I | π-helix | trans | -71.5 | -43.7 | -176.9 | -65.9 | 0 | 0 | 0 | 0 | 113.7 | L331 L332 P340 | L331-C335 WeakPolarHBondContact O-CB 3.36Å; L331-C335 PolarHBondContact O-N 2.89Å; L331-C335 PolarHBondContact O-SG 2.9Å; L331-C335 VanDerWaalsContact O-SG 3.34Å; L332-C335 PolarHBondContact O-N 3.33Å; C335-P340 VanDerWaalsContact O-CD 3.31Å; C335-P340 WeakPolarHBondContact O-CD 3.32Å |
| 336 | F | 95.4 | Very high | 93.6 | Very high | 157 Ų | 157 | 73.7 Ų | 73.7 | 69% | 0.689 | 36% | 0.363 | S | S | * | . | I | π-helix | trans | -100.3 | -16.8 | -169.3 | -69.2 | -71.5 | 0 | 0 | 0 | 115 | L332 P340 | L332-F336 HydrophobicContact CD2-CD2 3.99Å; L332-F336 HydrophobicContact CD2-CE2 3.74Å; L332-F336 WeakPolarHBondContact O-CB 3.17Å; L332-F336 WeakPolarHBondContact O-CD2 3.43Å; L332-F336 PolarHBondContact O-N 3.45Å; F336-P340 WeakPolarHBondContact O-CG 3.12Å |
| 337 | I | 94.3 | Very high | 93.6 | Very high | 59 Ų | 59 | 76 Ų | 76 | 30% | 0.303 | 37% | 0.373 | S | S | . | . | I | π-helix | trans | -118.1 | -58.2 | -177.1 | -63.5 | 170.4 | 0 | 0 | 0 | 109.7 | I333 P340 I341 F408 | I333-I337 HydrophobicContact CG1-CD1 4.48Å; I333-I337 WeakPolarHBondContact O-CA 3.21Å; I333-I337 WeakPolarHBondContact O-CB 3.37Å; I333-I337 PolarHBondContact O-N 3.27Å; I337-P340 WeakPolarHBondContact O-CD 3.46Å; I337-I341 HydrophobicContact CG2-CD1 3.76Å; I337-I341 WeakPolarHBondContact O-CB 3.48Å; I337-I341 WeakPolarHBondContact O-CD1 3.47Å; I337-I341 WeakPolarHBondContact O-CG1 3.25Å; I337-I341 PolarHBondContact O-N 3.07Å; I337-I341 VanDerWaalsContact O-N 3.11Å; I337-F408 HydrophobicContact CD1-CE1 3.59Å; I337-F408 HydrophobicContact CD1-CZ 4.17Å; I337-F408 HydrophobicContact CG2-CD1 4.37Å; I337-F408 HydrophobicContact CG2-CE1 4.27Å |
| 338 | T | 94 | Very high | 93.5 | Very high | 5 Ų | 5 | 71.2 Ų | 71.2 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | I | π-helix | trans | -70.5 | -46.5 | -171.5 | 75.3 | 0 | 0 | 0 | 0 | 111.6 | I333 L334 I341 V342 L405 E409 | I333-T338 HydrophobicContact CG2-CG2 3.86Å; I333-T338 PolarHBondContact O-N 2.86Å; L334-T338 WeakPolarHBondContact CA-OG1 3.41Å; L334-T338 HydrophobicContact CD2-CG2 4.37Å; L334-T338 PolarHBondContact O-OG1 3.18Å; T338-I341 PolarHBondContact O-N 2.91Å; T338-V342 WeakPolarHBondContact O-CB 3.4Å; T338-V342 VanDerWaalsContact O-CG2 3.23Å; T338-V342 WeakPolarHBondContact O-CG2 3.21Å; T338-V342 PolarHBondContact O-N 2.78Å; T338-L405 HydrophobicContact CG2-CD2 4.2Å; T338-E409 WeakPolarHBondContact CB-OE1 3.41Å; T338-E409 HydrophobicContact CG2-CG 3.55Å; T338-E409 WeakPolarHBondContact CG2-OE1 3.45Å |
| 339 | T | 93.8 | Very high | 93.1 | Very high | 81 Ų | 81 | 63 Ų | 63 | 50% | 0.497 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | -178.4 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | L334 V342 L343 | L334-T339 WeakPolarHBondContact O-CB 3.44Å; L334-T339 PolarHBondContact O-N 3.12Å; L334-T339 PolarHBondContact O-OG1 3.2Å; T339-V342 PolarHBondContact O-N 2.87Å; T339-L343 VanDerWaalsContact O-CB 3.31Å; T339-L343 WeakPolarHBondContact O-CB 2.81Å; T339-L343 PolarHBondContact O-N 3.24Å |
| 340 | P | 95.6 | Very high | 92.8 | Very high | 61 Ų | 61 | 60.6 Ų | 60.6 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 176.4 | -26.6 | 38.8 | 0 | 0 | 0 | 113.5 | C335 F336 I337 L343 F344 | C335-P340 VanDerWaalsContact O-CD 3.31Å; C335-P340 WeakPolarHBondContact O-CD 3.32Å; F336-P340 WeakPolarHBondContact O-CG 3.12Å; I337-P340 WeakPolarHBondContact O-CD 3.46Å; P340-L343 PolarHBondContact O-N 2.75Å; P340-F344 WeakPolarHBondContact O-CB 3.49Å; P340-F344 PolarHBondContact O-N 2.83Å |
| 341 | I | 94.3 | Very high | 92.6 | Very high | 55 Ų | 55 | 65.1 Ų | 65.1 | 28% | 0.282 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 177.7 | -68.6 | 170.4 | 0 | 0 | 0 | 110.7 | I337 T338 F344 S345 I401 W404 L405 | I337-I341 HydrophobicContact CG2-CD1 3.76Å; I337-I341 WeakPolarHBondContact O-CB 3.48Å; I337-I341 WeakPolarHBondContact O-CD1 3.47Å; I337-I341 WeakPolarHBondContact O-CG1 3.25Å; I337-I341 PolarHBondContact O-N 3.07Å; I337-I341 VanDerWaalsContact O-N 3.11Å; T338-I341 PolarHBondContact O-N 2.91Å; I341-F344 PolarHBondContact O-N 2.83Å; I341-S345 WeakPolarHBondContact O-CB 3.46Å; I341-S345 PolarHBondContact O-N 3.09Å; I341-S345 PolarHBondContact O-OG 2.84Å; I341-I401 HydrophobicContact CG2-CG2 4.13Å; I341-W404 HydrophobicContact CD1-CZ3 4.06Å; I341-L405 HydrophobicContact CB-CD1 4.43Å; I341-L405 HydrophobicContact CB-CD2 4.35Å; I341-L405 HydrophobicContact CD1-CD2 3.89Å; I341-L405 HydrophobicContact CG2-CD1 3.99Å; I341-L405 HydrophobicContact CG2-CD2 4.29Å |
| 342 | V | 93.4 | Very high | 92.2 | Very high | 13 Ų | 13 | 62.5 Ų | 62.5 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.8 | -49.4 | 175.1 | 171.3 | 0 | 0 | 0 | 0 | 109.8 | T338 T339 F344 S345 L346 L405 K424 L427 | T338-V342 WeakPolarHBondContact O-CB 3.4Å; T338-V342 VanDerWaalsContact O-CG2 3.23Å; T338-V342 WeakPolarHBondContact O-CG2 3.21Å; T338-V342 PolarHBondContact O-N 2.78Å; T339-V342 PolarHBondContact O-N 2.87Å; V342-F344 VanDerWaalsContact C-N 3.34Å; V342-F344 PolarHBondContact O-N 3.44Å; V342-S345 PolarHBondContact O-N 3.19Å; V342-S345 VanDerWaalsContact O-N 3.13Å; V342-S345 PolarHBondContact O-OG 3.34Å; V342-L346 HydrophobicContact CG1-CD1 4.12Å; V342-L346 HydrophobicContact CG1-CG 4.43Å; V342-L346 VanDerWaalsContact O-CG 3.31Å; V342-L346 WeakPolarHBondContact O-CG 3.3Å; V342-L346 PolarHBondContact O-N 3.19Å; V342-L405 HydrophobicContact CG2-CD1 3.91Å; V342-K424 HydrophobicContact CG2-CD 4.47Å; V342-K424 HydrophobicContact CG2-CG 4.27Å; V342-L427 HydrophobicContact CG1-CD1 4.28Å |
| 343 | L | 93.8 | Very high | 91.5 | Very high | 101 Ų | 101 | 60 Ų | 60 | 53% | 0.529 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 178.3 | -176.2 | 62.1 | 0 | 0 | 0 | 112.4 | T339 P340 S345 L346 I347 | T339-L343 VanDerWaalsContact O-CB 3.31Å; T339-L343 WeakPolarHBondContact O-CB 2.81Å; T339-L343 PolarHBondContact O-N 3.24Å; P340-L343 PolarHBondContact O-N 2.75Å; L343-S345 VanDerWaalsContact C-N 3.33Å; L343-S345 PolarHBondContact O-N 3.47Å; L343-L346 WeakPolarHBondContact O-CB 3.45Å; L343-L346 PolarHBondContact O-N 3.42Å; L343-I347 HydrophobicContact CD1-CD1 4.46Å; L343-I347 HydrophobicContact CG-CD1 4.1Å; L343-I347 WeakPolarHBondContact O-CG1 3.36Å; L343-I347 PolarHBondContact O-N 3.24Å |
| 344 | F | 93.6 | Very high | 91.1 | Very high | 134 Ų | 134 | 61.8 Ų | 61.8 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.6 | -43 | 175 | 179.6 | -111.5 | 0 | 0 | 0 | 111.6 | P340 I341 V342 L346 I347 I348 | P340-F344 WeakPolarHBondContact O-CB 3.49Å; P340-F344 PolarHBondContact O-N 2.83Å; I341-F344 PolarHBondContact O-N 2.83Å; V342-F344 VanDerWaalsContact C-N 3.34Å; V342-F344 PolarHBondContact O-N 3.44Å; F344-L346 VanDerWaalsContact C-N 3.34Å; F344-L346 PolarHBondContact O-N 3.29Å; F344-I347 PolarHBondContact O-N 3.49Å; F344-I348 HydrophobicContact CD1-CD1 3.59Å; F344-I348 HydrophobicContact CE1-CD1 3.19Å; F344-I348 HydrophobicContact CE1-CG1 4.23Å; F344-I348 HydrophobicContact CE2-CD1 4.17Å; F344-I348 HydrophobicContact CE2-CG1 4.39Å; F344-I348 HydrophobicContact CG-CD1 4.25Å; F344-I348 HydrophobicContact CZ-CD1 3.52Å; F344-I348 HydrophobicContact CZ-CG1 4.16Å; F344-I348 WeakPolarHBondContact O-CG1 3.36Å; F344-I348 PolarHBondContact O-N 2.86Å |
| 345 | S | 90.4 | Very high | 90.8 | Very high | 17 Ų | 17 | 62.9 Ų | 62.9 | 12% | 0.119 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 175.4 | 75.3 | 0 | 0 | 0 | 0 | 112.2 | I341 V342 L343 I348 V349 | I341-S345 WeakPolarHBondContact O-CB 3.46Å; I341-S345 PolarHBondContact O-N 3.09Å; I341-S345 PolarHBondContact O-OG 2.84Å; V342-S345 PolarHBondContact O-N 3.19Å; V342-S345 VanDerWaalsContact O-N 3.13Å; V342-S345 PolarHBondContact O-OG 3.34Å; L343-S345 VanDerWaalsContact C-N 3.33Å; L343-S345 PolarHBondContact O-N 3.47Å; S345-I348 PolarHBondContact O-N 2.83Å; S345-V349 VanDerWaalsContact O-CG2 3.26Å; S345-V349 WeakPolarHBondContact O-CG2 3.49Å; S345-V349 PolarHBondContact O-N 3.44Å; S345-V349 VanDerWaalsContact O-N 3.1Å |
| 346 | L | 90.9 | Very high | 90.3 | Very high | 25 Ų | 25 | 60.9 Ų | 60.9 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 176.1 | -64.3 | 170 | 0 | 0 | 0 | 111.4 | V342 L343 F344 V349 I350 L427 L428 V431 | V342-L346 HydrophobicContact CG1-CD1 4.12Å; V342-L346 HydrophobicContact CG1-CG 4.43Å; V342-L346 VanDerWaalsContact O-CG 3.31Å; V342-L346 WeakPolarHBondContact O-CG 3.3Å; V342-L346 PolarHBondContact O-N 3.19Å; L343-L346 WeakPolarHBondContact O-CB 3.45Å; L343-L346 PolarHBondContact O-N 3.42Å; F344-L346 VanDerWaalsContact C-N 3.34Å; F344-L346 PolarHBondContact O-N 3.29Å; L346-V349 PolarHBondContact O-N 3.22Å; L346-I350 WeakPolarHBondContact O-CG1 3.4Å; L346-I350 PolarHBondContact O-N 3.47Å; L346-L427 WeakPolarHBondContact CD2-O 3.13Å; L346-L428 HydrophobicContact CD2-CB 4.28Å; L346-L428 HydrophobicContact CD2-CD1 3.82Å; L346-V431 HydrophobicContact CD2-CB 4.07Å; L346-V431 HydrophobicContact CD2-CG2 3.79Å |
| 347 | I | 92 | Very high | 89.6 | Confident | 93 Ų | 93 | 55.5 Ų | 55.5 | 48% | 0.477 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 176.6 | -67.1 | 166.2 | 0 | 0 | 0 | 111 | L343 F344 V349 I350 Y351 | L343-I347 HydrophobicContact CD1-CD1 4.46Å; L343-I347 HydrophobicContact CG-CD1 4.1Å; L343-I347 WeakPolarHBondContact O-CG1 3.36Å; L343-I347 PolarHBondContact O-N 3.24Å; F344-I347 PolarHBondContact O-N 3.49Å; I347-V349 PolarHBondContact O-N 2.93Å; I347-I350 WeakPolarHBondContact O-CB 3.25Å; I347-I350 PolarHBondContact O-N 2.91Å; I347-Y351 WeakPolarHBondContact O-CB 3.43Å; I347-Y351 PolarHBondContact O-N 3.46Å |
| 348 | I | 90.1 | Very high | 89.3 | Confident | 62 Ų | 62 | 57.9 Ų | 57.9 | 32% | 0.318 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 175.9 | -75.4 | 167.7 | 0 | 0 | 0 | 111 | F344 S345 I350 Y351 I352 | F344-I348 HydrophobicContact CD1-CD1 3.59Å; F344-I348 HydrophobicContact CE1-CD1 3.19Å; F344-I348 HydrophobicContact CE1-CG1 4.23Å; F344-I348 HydrophobicContact CE2-CD1 4.17Å; F344-I348 HydrophobicContact CE2-CG1 4.39Å; F344-I348 HydrophobicContact CG-CD1 4.25Å; F344-I348 HydrophobicContact CZ-CD1 3.52Å; F344-I348 HydrophobicContact CZ-CG1 4.16Å; F344-I348 WeakPolarHBondContact O-CG1 3.36Å; F344-I348 PolarHBondContact O-N 2.86Å; S345-I348 PolarHBondContact O-N 2.83Å; I348-I350 VanDerWaalsContact C-N 3.27Å; I348-I350 PolarHBondContact O-N 2.96Å; I348-Y351 PolarHBondContact O-N 2.7Å; I348-I352 HydrophobicContact CG2-CD1 3.5Å; I348-I352 VanDerWaalsContact CG2-CD1 3.5Å; I348-I352 HydrophobicContact CG2-CG1 4.08Å; I348-I352 WeakPolarHBondContact O-CB 3.39Å; I348-I352 VanDerWaalsContact O-CG1 3.29Å; I348-I352 WeakPolarHBondContact O-CG1 3.34Å; I348-I352 PolarHBondContact O-N 3.32Å |
| 349 | V | 85.7 | Confident | 88.9 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.2 | -44 | 179.4 | 177 | 0 | 0 | 0 | 0 | 111.1 | S345 L346 I347 T353 M394 L428 V431 N432 | S345-V349 VanDerWaalsContact O-CG2 3.26Å; S345-V349 WeakPolarHBondContact O-CG2 3.49Å; S345-V349 PolarHBondContact O-N 3.44Å; S345-V349 VanDerWaalsContact O-N 3.1Å; L346-V349 PolarHBondContact O-N 3.22Å; I347-V349 PolarHBondContact O-N 2.93Å; V349-T353 WeakPolarHBondContact O-CB 3.38Å; V349-T353 PolarHBondContact O-N 3.09Å; V349-T353 PolarHBondContact O-OG1 2.83Å; V349-M394 HydrophobicContact CB-CE 4.29Å; V349-M394 HydrophobicContact CB-SD 4.16Å; V349-M394 HydrophobicContact CG1-CE 3.81Å; V349-M394 HydrophobicContact CG1-SD 4.29Å; V349-M394 HydrophobicContact CG2-CE 3.76Å; V349-M394 HydrophobicContact CG2-CG 4.5Å; V349-M394 HydrophobicContact CG2-SD 3.43Å; V349-M394 WeakPolarHBondContact CG2-SD 3.03Å; V349-L428 HydrophobicContact CG2-CD1 3.47Å; V349-L428 VanDerWaalsContact CG2-CD1 3.47Å; V349-L428 HydrophobicContact CG2-CG 4.36Å; V349-V431 HydrophobicContact CG1-CG1 4.49Å; V349-N432 HydrophobicContact CG1-CB 4.41Å |
| 350 | I | 87.6 | Confident | 88.6 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 25% | 0.251 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 176.8 | -72.9 | 169.9 | 0 | 0 | 0 | 110.6 | L346 I347 I348 T353 L354 V431 Y435 | L346-I350 WeakPolarHBondContact O-CG1 3.4Å; L346-I350 PolarHBondContact O-N 3.47Å; I347-I350 WeakPolarHBondContact O-CB 3.25Å; I347-I350 PolarHBondContact O-N 2.91Å; I348-I350 VanDerWaalsContact C-N 3.27Å; I348-I350 PolarHBondContact O-N 2.96Å; I350-T353 WeakPolarHBondContact O-CB 3.34Å; I350-T353 PolarHBondContact O-N 3.36Å; I350-L354 HydrophobicContact CG2-CD1 4.31Å; I350-L354 WeakPolarHBondContact O-CG 3.21Å; I350-L354 PolarHBondContact O-N 2.73Å; I350-V431 HydrophobicContact CD1-CG1 4.19Å; I350-V431 HydrophobicContact CG1-CG1 3.9Å; I350-Y435 HydrophobicContact CB-CE1 4.27Å; I350-Y435 HydrophobicContact CB-CE2 4.32Å; I350-Y435 HydrophobicContact CD1-CD2 4.18Å; I350-Y435 HydrophobicContact CD1-CE2 4.12Å; I350-Y435 HydrophobicContact CG1-CD1 4.23Å; I350-Y435 HydrophobicContact CG1-CD2 3.77Å; I350-Y435 HydrophobicContact CG1-CE1 4.25Å; I350-Y435 HydrophobicContact CG1-CE2 3.78Å; I350-Y435 HydrophobicContact CG1-CG 4.02Å; I350-Y435 HydrophobicContact CG2-CE1 3.93Å; I350-Y435 HydrophobicContact CG2-CE2 3.83Å; I350-Y435 VanDerWaalsContact CG2-CZ 3.44Å; I350-Y435 WeakPolarHBondContact CG2-OH 3.48Å |
| 351 | Y | 88.5 | Confident | 88.1 | Confident | 149 Ų | 149 | 60.9 Ų | 60.9 | 58% | 0.584 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.7 | -43.8 | -179 | -177 | -108.6 | 0 | 0 | 0 | 112.6 | I347 I348 T353 L354 I355 | I347-Y351 WeakPolarHBondContact O-CB 3.43Å; I347-Y351 PolarHBondContact O-N 3.46Å; I348-Y351 PolarHBondContact O-N 2.7Å; Y351-T353 VanDerWaalsContact C-N 3.3Å; Y351-T353 PolarHBondContact O-N 2.82Å; Y351-L354 PolarHBondContact O-N 2.97Å; Y351-I355 HydrophobicContact CD1-CD1 3.65Å; Y351-I355 HydrophobicContact CD1-CG1 4.42Å; Y351-I355 HydrophobicContact CE1-CD1 3.14Å; Y351-I355 HydrophobicContact CE1-CG1 4.07Å; Y351-I355 HydrophobicContact CE2-CD1 4.39Å; Y351-I355 HydrophobicContact CG-CD1 4.46Å; Y351-I355 PolarHBondContact O-N 3.27Å |
| 352 | I | 85.8 | Confident | 87.7 | Confident | 50 Ų | 50 | 65.3 Ų | 65.3 | 26% | 0.256 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.9 | -45.6 | 174.3 | -74.7 | 177.6 | 0 | 0 | 0 | 110.1 | I348 L354 I355 Y356 M394 | I348-I352 HydrophobicContact CG2-CD1 3.5Å; I348-I352 VanDerWaalsContact CG2-CD1 3.5Å; I348-I352 HydrophobicContact CG2-CG1 4.08Å; I348-I352 WeakPolarHBondContact O-CB 3.39Å; I348-I352 VanDerWaalsContact O-CG1 3.29Å; I348-I352 WeakPolarHBondContact O-CG1 3.34Å; I348-I352 PolarHBondContact O-N 3.32Å; I352-L354 VanDerWaalsContact C-N 3.32Å; I352-L354 PolarHBondContact O-N 3Å; I352-I355 PolarHBondContact O-N 3Å; I352-Y356 HydrophobicContact CB-CE2 4.45Å; I352-Y356 HydrophobicContact CG2-CD2 3.65Å; I352-Y356 HydrophobicContact CG2-CE2 3.07Å; I352-Y356 WeakPolarHBondContact O-CD2 3.5Å; I352-Y356 PolarHBondContact O-N 2.95Å; I352-M394 HydrophobicContact CD1-SD 4.34Å |
| 353 | T | 81.3 | Confident | 87.3 | Confident | 29 Ų | 29 | 66.6 Ų | 66.6 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 177.7 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | V349 I350 Y351 Y356 V357 Y435 | V349-T353 WeakPolarHBondContact O-CB 3.38Å; V349-T353 PolarHBondContact O-N 3.09Å; V349-T353 PolarHBondContact O-OG1 2.83Å; I350-T353 WeakPolarHBondContact O-CB 3.34Å; I350-T353 PolarHBondContact O-N 3.36Å; Y351-T353 VanDerWaalsContact C-N 3.3Å; Y351-T353 PolarHBondContact O-N 2.82Å; T353-Y356 PolarHBondContact O-N 3.49Å; T353-V357 WeakPolarHBondContact O-CG2 3.14Å; T353-V357 PolarHBondContact O-N 2.69Å; T353-V357 VanDerWaalsContact O-N 3.16Å; T353-Y435 HydrophobicContact CG2-CD1 3.93Å; T353-Y435 HydrophobicContact CG2-CE1 4.09Å |
| 354 | L | 85.2 | Confident | 86.9 | Confident | 50 Ų | 50 | 64.6 Ų | 64.6 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 177.5 | -68.1 | 175.2 | 0 | 0 | 0 | 112.8 | I350 Y351 I352 Y356 V357 Q358 Y439 | I350-L354 HydrophobicContact CG2-CD1 4.31Å; I350-L354 WeakPolarHBondContact O-CG 3.21Å; I350-L354 PolarHBondContact O-N 2.73Å; Y351-L354 PolarHBondContact O-N 2.97Å; I352-L354 VanDerWaalsContact C-N 3.32Å; I352-L354 PolarHBondContact O-N 3Å; L354-Y356 PolarHBondContact O-N 3.49Å; L354-V357 PolarHBondContact O-N 3.29Å; L354-Q358 WeakPolarHBondContact O-CG 3.46Å; L354-Q358 PolarHBondContact O-N 3.37Å; L354-Q358 VanDerWaalsContact O-N 3.09Å; L354-Y439 HydrophobicContact CD2-CD2 3.8Å; L354-Y439 HydrophobicContact CD2-CE2 3.49Å; L354-Y439 VanDerWaalsContact CD2-CE2 3.49Å |
| 355 | I | 86.9 | Confident | 86.6 | Confident | 60 Ų | 60 | 63.2 Ų | 63.2 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.7 | -41 | 173.1 | -74.3 | 172.8 | 0 | 0 | 0 | 110.1 | Y351 I352 Q358 L359 | Y351-I355 HydrophobicContact CD1-CD1 3.65Å; Y351-I355 HydrophobicContact CD1-CG1 4.42Å; Y351-I355 HydrophobicContact CE1-CD1 3.14Å; Y351-I355 HydrophobicContact CE1-CG1 4.07Å; Y351-I355 HydrophobicContact CE2-CD1 4.39Å; Y351-I355 HydrophobicContact CG-CD1 4.46Å; Y351-I355 PolarHBondContact O-N 3.27Å; I352-I355 PolarHBondContact O-N 3Å; I355-Q358 PolarHBondContact O-N 3.48Å; I355-L359 VanDerWaalsContact O-CB 3.27Å; I355-L359 WeakPolarHBondContact O-CB 3.47Å; I355-L359 PolarHBondContact O-N 3.34Å |
| 356 | Y | 83.7 | Confident | 86.3 | Confident | 26 Ų | 26 | 68 Ų | 68 | 10% | 0.102 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.5 | -39.6 | -180 | -70.7 | -45.4 | 0 | 0 | 0 | 114 | I352 T353 L354 Q358 L359 Q360 F386 L387 S390 | I352-Y356 HydrophobicContact CB-CE2 4.45Å; I352-Y356 HydrophobicContact CG2-CD2 3.65Å; I352-Y356 HydrophobicContact CG2-CE2 3.07Å; I352-Y356 WeakPolarHBondContact O-CD2 3.5Å; I352-Y356 PolarHBondContact O-N 2.95Å; T353-Y356 PolarHBondContact O-N 3.49Å; L354-Y356 PolarHBondContact O-N 3.49Å; Y356-Q358 VanDerWaalsContact C-N 3.32Å; Y356-Q358 PolarHBondContact O-N 3.13Å; Y356-L359 PolarHBondContact O-N 3.44Å; Y356-Q360 WeakPolarHBondContact O-CB 3.42Å; Y356-Q360 PolarHBondContact O-N 3.29Å; Y356-F386 HydrophobicContact CD1-CD1 4.27Å; Y356-F386 AromaticContact CE1-CD1 3.27Å; Y356-F386 HydrophobicContact CE1-CD1 3.27Å; Y356-F386 AromaticContact CE1-CE1 3.44Å; Y356-F386 HydrophobicContact CE1-CE1 3.44Å; Y356-F386 VanDerWaalsContact CE1-CE1 3.44Å; Y356-F386 AromaticContact CZ-CD1 3.77Å; Y356-F386 AromaticContact CZ-CE1 3.73Å; Y356-F386 WeakPolarHBondContact OH-CD1 3.22Å; Y356-F386 WeakPolarHBondContact OH-CE1 3.45Å; Y356-L387 HydrophobicContact CD1-CB 4.45Å; Y356-L387 HydrophobicContact CD2-CB 4.34Å; Y356-L387 HydrophobicContact CD2-CD1 3.12Å; Y356-L387 HydrophobicContact CD2-CG 4.29Å; Y356-L387 HydrophobicContact CE2-CB 4.43Å; Y356-L387 HydrophobicContact CE2-CD1 3.47Å; Y356-L387 VanDerWaalsContact CE2-CD1 3.47Å; Y356-L387 HydrophobicContact CG-CB 4.32Å; Y356-L387 HydrophobicContact CG-CD1 3.75Å; Y356-S390 WeakPolarHBondContact OH-CB 3.33Å; Y356-S390 PolarHBondContact OH-OG 3.31Å |
| 357 | V | 81.3 | Confident | 86 | Confident | 44 Ų | 44 | 67 Ų | 67 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.2 | -49 | 172.6 | 174.7 | 0 | 0 | 0 | 0 | 109.8 | T353 L354 L359 Q360 E361 Y439 | T353-V357 WeakPolarHBondContact O-CG2 3.14Å; T353-V357 PolarHBondContact O-N 2.69Å; T353-V357 VanDerWaalsContact O-N 3.16Å; L354-V357 PolarHBondContact O-N 3.29Å; V357-L359 PolarHBondContact O-N 2.95Å; V357-Q360 PolarHBondContact O-N 3.38Å; V357-E361 WeakPolarHBondContact O-CG 3.46Å; V357-E361 PolarHBondContact O-N 2.87Å; V357-Y439 HydrophobicContact CG1-CE1 4.36Å |
| 358 | Q | 86.6 | Confident | 85.6 | Confident | 110 Ų | 110 | 68.8 Ų | 68.8 | 51% | 0.514 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 179 | -67.3 | 179.5 | -4.5 | 0 | 0 | 113.2 | L354 I355 Y356 E361 K362 | L354-Q358 WeakPolarHBondContact O-CG 3.46Å; L354-Q358 PolarHBondContact O-N 3.37Å; L354-Q358 VanDerWaalsContact O-N 3.09Å; I355-Q358 PolarHBondContact O-N 3.48Å; Y356-Q358 VanDerWaalsContact C-N 3.32Å; Y356-Q358 PolarHBondContact O-N 3.13Å; Q358-E361 PolarHBondContact O-N 3.34Å; Q358-K362 WeakPolarHBondContact O-CG 3.34Å; Q358-K362 PolarHBondContact O-N 3.15Å |
| 359 | L | 86.4 | Confident | 85.2 | Confident | 59 Ų | 59 | 71.9 Ų | 71.9 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.1 | -39.6 | 179.1 | -170.8 | 150.7 | 0 | 0 | 0 | 110.7 | I355 Y356 V357 M363 P383 | I355-L359 VanDerWaalsContact O-CB 3.27Å; I355-L359 WeakPolarHBondContact O-CB 3.47Å; I355-L359 PolarHBondContact O-N 3.34Å; Y356-L359 PolarHBondContact O-N 3.44Å; V357-L359 PolarHBondContact O-N 2.95Å; L359-M363 HydrophobicContact CD2-CG 4.14Å; L359-M363 WeakPolarHBondContact O-CB 3.32Å; L359-M363 VanDerWaalsContact O-CG 3.31Å; L359-M363 WeakPolarHBondContact O-CG 3.35Å; L359-M363 PolarHBondContact O-N 2.89Å; L359-P383 HydrophobicContact CD2-CB 3.45Å; L359-P383 VanDerWaalsContact CD2-CB 3.45Å; L359-P383 HydrophobicContact CD2-CG 3.48Å; L359-P383 VanDerWaalsContact CD2-CG 3.48Å |
| 360 | Q | 86.8 | Confident | 84.6 | Confident | 40 Ų | 40 | 74 Ų | 74 | 19% | 0.187 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.4 | -43.7 | 174.7 | -175.2 | 69.9 | 68.2 | 0 | 0 | 111.5 | Y356 V357 M363 N364 V380 | Y356-Q360 WeakPolarHBondContact O-CB 3.42Å; Y356-Q360 PolarHBondContact O-N 3.29Å; V357-Q360 PolarHBondContact O-N 3.38Å; Q360-M363 PolarHBondContact O-N 3.26Å; Q360-N364 PolarHBondContact NE2-OD1 3.49Å; Q360-N364 WeakPolarHBondContact O-CB 3.38Å; Q360-N364 PolarHBondContact O-N 2.84Å; Q360-N364 PolarHBondContact O-ND2 3.48Å; Q360-N364 PolarHBondContact O-OD1 3.34Å; Q360-V380 PolarHBondContact NE2-O 2.91Å |
| 361 | E | 85.6 | Confident | 83.8 | Confident | 110 Ų | 110 | 78.9 Ų | 78.9 | 51% | 0.514 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 177.2 | -73.2 | 172.5 | -177 | 0 | 0 | 111.8 | V357 Q358 M363 N364 I365 | V357-E361 WeakPolarHBondContact O-CG 3.46Å; V357-E361 PolarHBondContact O-N 2.87Å; Q358-E361 PolarHBondContact O-N 3.34Å; E361-M363 PolarHBondContact O-N 2.9Å; E361-N364 PolarHBondContact O-N 3.44Å; E361-I365 WeakPolarHBondContact O-CG1 3.38Å; E361-I365 PolarHBondContact O-N 3.48Å |
| 362 | K | 86.8 | Confident | 82.7 | Confident | 148 Ų | 148 | 74.3 Ų | 74.3 | 64% | 0.643 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.5 | -42.1 | 177.7 | -73.9 | 178.9 | -179.5 | 179 | 0 | 112.6 | Q358 I365 Y366 | Q358-K362 WeakPolarHBondContact O-CG 3.34Å; Q358-K362 PolarHBondContact O-N 3.15Å; K362-I365 PolarHBondContact O-N 2.96Å; K362-Y366 WeakPolarHBondContact O-CB 3.35Å; K362-Y366 PolarHBondContact O-N 3.04Å |
| 363 | M | 85.3 | Confident | 82.1 | Confident | 41 Ų | 41 | 80 Ų | 80 | 20% | 0.202 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -69.3 | -34.7 | 179.1 | -74.1 | -64.2 | -69.4 | 0 | 0 | 112.4 | L359 Q360 E361 Y366 A367 L379 P383 | L359-M363 HydrophobicContact CD2-CG 4.14Å; L359-M363 WeakPolarHBondContact O-CB 3.32Å; L359-M363 VanDerWaalsContact O-CG 3.31Å; L359-M363 WeakPolarHBondContact O-CG 3.35Å; L359-M363 PolarHBondContact O-N 2.89Å; Q360-M363 PolarHBondContact O-N 3.26Å; E361-M363 PolarHBondContact O-N 2.9Å; M363-Y366 PolarHBondContact O-N 3.45Å; M363-A367 VanDerWaalsContact O-CB 3.25Å; M363-A367 WeakPolarHBondContact O-CB 3.35Å; M363-A367 PolarHBondContact O-N 2.97Å; M363-L379 HydrophobicContact CE-CB 4.03Å; M363-L379 HydrophobicContact CE-CD2 3.64Å; M363-L379 HydrophobicContact CE-CG 4.47Å; M363-L379 VanDerWaalsContact CE-O 3.31Å; M363-L379 WeakPolarHBondContact CE-O 2.92Å; M363-P383 HydrophobicContact CB-CG 3.84Å; M363-P383 HydrophobicContact CG-CG 3.77Å |
| 364 | N | 85.2 | Confident | 81.9 | Confident | 59 Ų | 59 | 82.8 Ų | 82.8 | 32% | 0.316 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 173.3 | -69.5 | -8.5 | 0 | 0 | 0 | 111.1 | Q360 E361 Y366 A367 D368 | Q360-N364 PolarHBondContact NE2-OD1 3.49Å; Q360-N364 WeakPolarHBondContact O-CB 3.38Å; Q360-N364 PolarHBondContact O-N 2.84Å; Q360-N364 PolarHBondContact O-ND2 3.48Å; Q360-N364 PolarHBondContact O-OD1 3.34Å; E361-N364 PolarHBondContact O-N 3.44Å; N364-Y366 VanDerWaalsContact C-N 3.32Å; N364-Y366 PolarHBondContact O-N 3.31Å; N364-A367 PolarHBondContact O-N 2.88Å; N364-D368 PolarHBondContact O-N 2.97Å |
| 365 | I | 86.4 | Confident | 81.7 | Confident | 104 Ų | 104 | 84 Ų | 84 | 53% | 0.533 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.7 | -43 | 176.3 | -65.6 | 164.8 | 0 | 0 | 0 | 111 | E361 K362 D368 N369 | E361-I365 WeakPolarHBondContact O-CG1 3.38Å; E361-I365 PolarHBondContact O-N 3.48Å; K362-I365 PolarHBondContact O-N 2.96Å; I365-D368 PolarHBondContact O-N 2.77Å; I365-N369 WeakPolarHBondContact O-CB 3.44Å; I365-N369 PolarHBondContact O-N 2.92Å; I365-N369 VanDerWaalsContact O-N 3.13Å; I365-N369 PolarHBondContact O-ND2 3.26Å |
| 366 | Y | 84.9 | Confident | 81.5 | Confident | 119 Ų | 119 | 84.8 Ų | 84.8 | 47% | 0.467 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 176.5 | -178 | -104.6 | 0 | 0 | 0 | 111.2 | K362 M363 N364 D368 N369 N370 L379 | K362-Y366 WeakPolarHBondContact O-CB 3.35Å; K362-Y366 PolarHBondContact O-N 3.04Å; M363-Y366 PolarHBondContact O-N 3.45Å; N364-Y366 VanDerWaalsContact C-N 3.32Å; N364-Y366 PolarHBondContact O-N 3.31Å; Y366-D368 VanDerWaalsContact C-N 3.34Å; Y366-D368 PolarHBondContact O-N 3.37Å; Y366-N369 PolarHBondContact O-N 2.69Å; Y366-N370 HydrophobicContact CE1-CB 4.41Å; Y366-N370 WeakPolarHBondContact CE1-ND2 3.36Å; Y366-N370 VanDerWaalsContact O-CB 3.25Å; Y366-N370 WeakPolarHBondContact O-CB 3.32Å; Y366-N370 PolarHBondContact O-N 2.99Å; Y366-N370 PolarHBondContact OH-ND2 2.66Å; Y366-N370 VanDerWaalsContact OH-ND2 3.07Å; Y366-L379 HydrophobicContact CD1-CD1 3.98Å; Y366-L379 HydrophobicContact CD1-CD2 4.17Å; Y366-L379 HydrophobicContact CE1-CD1 3.96Å; Y366-L379 HydrophobicContact CE1-CD2 4.07Å |
| 367 | A | 84.3 | Confident | 81.5 | Confident | 4 Ų | 4 | 91 Ų | 91 | 3% | 0.033 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -65.3 | -35 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M363 N364 N376 L379 V380 | M363-A367 VanDerWaalsContact O-CB 3.25Å; M363-A367 WeakPolarHBondContact O-CB 3.35Å; M363-A367 PolarHBondContact O-N 2.97Å; N364-A367 PolarHBondContact O-N 2.88Å; A367-N376 WeakPolarHBondContact CB-OD1 3.26Å; A367-N376 PolarHBondContact O-ND2 2.98Å; A367-L379 HydrophobicContact CB-CB 4.06Å; A367-L379 HydrophobicContact CB-CD1 4.33Å; A367-V380 HydrophobicContact CB-CG2 3.98Å |
| 368 | D | 83.1 | Confident | 81.7 | Confident | 130 Ų | 130 | 93.1 Ų | 93.1 | 70% | 0.695 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -69.3 | -34.6 | 173.9 | -75.7 | -13.1 | 0 | 0 | 0 | 112.3 | N364 I365 Y366 | N364-D368 PolarHBondContact O-N 2.97Å; I365-D368 PolarHBondContact O-N 2.77Å; Y366-D368 VanDerWaalsContact C-N 3.34Å; Y366-D368 PolarHBondContact O-N 3.37Å |
| 369 | N | 82.1 | Confident | 81.7 | Confident | 127 Ų | 127 | 88.6 Ų | 88.6 | 68% | 0.679 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -83.9 | -12.7 | -179.5 | -71 | -26.1 | 0 | 0 | 0 | 114.2 | I365 Y366 | I365-N369 WeakPolarHBondContact O-CB 3.44Å; I365-N369 PolarHBondContact O-N 2.92Å; I365-N369 VanDerWaalsContact O-N 3.13Å; I365-N369 PolarHBondContact O-ND2 3.26Å; Y366-N369 PolarHBondContact O-N 2.69Å |
| 370 | N | 72.2 | Confident | 81.6 | Confident | 47 Ų | 47 | 87.5 Ų | 87.5 | 25% | 0.251 | 45% | 0.451 | S | S | . | . | trans | -94.8 | 123.8 | -168.1 | -148.3 | 6.5 | 0 | 0 | 0 | 113 | Y366 S372 | Y366-N370 HydrophobicContact CE1-CB 4.41Å; Y366-N370 WeakPolarHBondContact CE1-ND2 3.36Å; Y366-N370 VanDerWaalsContact O-CB 3.25Å; Y366-N370 WeakPolarHBondContact O-CB 3.32Å; Y366-N370 PolarHBondContact O-N 2.99Å; Y366-N370 PolarHBondContact OH-ND2 2.66Å; Y366-N370 VanDerWaalsContact OH-ND2 3.07Å; N370-S372 VanDerWaalsContact CG-OG 3.24Å; N370-S372 PolarHBondContact ND2-OG 3.49Å; N370-S372 VanDerWaalsContact OD1-CB 3.31Å; N370-S372 WeakPolarHBondContact OD1-CB 3.12Å; N370-S372 PolarHBondContact OD1-OG 3.47Å | ||
| 371 | T | 71 | Confident | 81.6 | Confident | 150 Ų | 150 | 87.2 Ų | 87.2 | 92% | 0.92 | 45% | 0.452 | S | S | * | . | trans | -96.6 | 19.9 | 169.4 | 59.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 372 | S | 65.4 | Low | 81.6 | Confident | 53 Ų | 53 | 86.4 Ų | 86.4 | 37% | 0.371 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -86.4 | 168.1 | -171.5 | 79.5 | 0 | 0 | 0 | 0 | 114.2 | N370 I374 | N370-S372 VanDerWaalsContact CG-OG 3.24Å; N370-S372 PolarHBondContact ND2-OG 3.49Å; N370-S372 VanDerWaalsContact OD1-CB 3.31Å; N370-S372 WeakPolarHBondContact OD1-CB 3.12Å; N370-S372 PolarHBondContact OD1-OG 3.47Å; S372-I374 PolarHBondContact O-N 2.88Å; S372-I374 VanDerWaalsContact O-N 3.17Å |
| 373 | I | 73.2 | Confident | 81.6 | Confident | 171 Ų | 171 | 79.5 Ų | 79.5 | 88% | 0.877 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -58 | -27.4 | -176.6 | -61.6 | 164.1 | 0 | 0 | 0 | 112.8 | P375 | I373-P375 WeakPolarHBondContact O-CD 3.4Š|
| 374 | I | 76.7 | Confident | 81.5 | Confident | 86 Ų | 86 | 83.1 Ų | 83.1 | 44% | 0.441 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -71.1 | 117.9 | -177.3 | -56.2 | 175.4 | 0 | 0 | 0 | 108.2 | S372 N376 I378 L379 | S372-I374 PolarHBondContact O-N 2.88Å; S372-I374 VanDerWaalsContact O-N 3.17Å; I374-N376 PolarHBondContact O-N 3.19Å; I374-I378 HydrophobicContact CG2-CB 4.2Å; I374-I378 HydrophobicContact CG2-CG2 4.4Å; I374-L379 HydrophobicContact CG2-CD1 4.47Å; I374-L379 HydrophobicContact CG2-CD2 4.3Å; I374-L379 HydrophobicContact CG2-CG 4.02Å |
| 375 | P | 81.1 | Confident | 81.6 | Confident | 76 Ų | 76 | 85.1 Ų | 85.1 | 49% | 0.494 | 45% | 0.445 | S | S | . | . | trans | -56 | 130.1 | 178.5 | -23.7 | 32.9 | 0 | 0 | 0 | 111 | I373 F377 I378 | I373-P375 WeakPolarHBondContact O-CD 3.4Å; P375-F377 PolarHBondContact O-N 3.46Å; P375-I378 HydrophobicContact CB-CD1 4.5Å; P375-I378 HydrophobicContact CB-CG1 4.36Å; P375-I378 HydrophobicContact CG-CD1 4.18Å; P375-I378 WeakPolarHBondContact O-CB 3.46Å; P375-I378 PolarHBondContact O-N 2.99Å | ||
| 376 | N | 83 | Confident | 81.6 | Confident | 76 Ų | 76 | 85.3 Ų | 85.3 | 41% | 0.406 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -48.3 | -39.4 | -179.6 | -177.7 | -23.6 | 0 | 0 | 0 | 112 | A367 I374 I378 L379 V380 | A367-N376 WeakPolarHBondContact CB-OD1 3.26Å; A367-N376 PolarHBondContact O-ND2 2.98Å; I374-N376 PolarHBondContact O-N 3.19Å; N376-I378 VanDerWaalsContact C-N 3.26Å; N376-I378 PolarHBondContact O-N 2.76Å; N376-I378 VanDerWaalsContact O-N 3.15Å; N376-L379 PolarHBondContact O-N 3.48Å; N376-V380 PolarHBondContact O-N 2.95Å; N376-V380 VanDerWaalsContact O-N 3.1Å; N376-V380 WeakPolarHBondContact OD1-CG2 3.21Å |
| 377 | F | 84.1 | Confident | 81.5 | Confident | 157 Ų | 157 | 82.5 Ų | 82.5 | 69% | 0.689 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -52.3 | -38.5 | 175.6 | 179.3 | -100.7 | 0 | 0 | 0 | 114.3 | P375 T381 | P375-F377 PolarHBondContact O-N 3.46Å; F377-T381 VanDerWaalsContact O-CB 3.26Å; F377-T381 WeakPolarHBondContact O-CB 3.28Å; F377-T381 PolarHBondContact O-N 2.78Å; F377-T381 VanDerWaalsContact O-N 3.15Å; F377-T381 PolarHBondContact O-OG1 2.66Å |
| 378 | I | 86.1 | Confident | 81.4 | Confident | 89 Ų | 89 | 84.9 Ų | 84.9 | 46% | 0.456 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.7 | -45.2 | 179.3 | -60 | -176 | 0 | 0 | 0 | 110.2 | I374 P375 N376 V380 T381 L382 | I374-I378 HydrophobicContact CG2-CB 4.2Å; I374-I378 HydrophobicContact CG2-CG2 4.4Å; P375-I378 HydrophobicContact CB-CD1 4.5Å; P375-I378 HydrophobicContact CB-CG1 4.36Å; P375-I378 HydrophobicContact CG-CD1 4.18Å; P375-I378 WeakPolarHBondContact O-CB 3.46Å; P375-I378 PolarHBondContact O-N 2.99Å; N376-I378 VanDerWaalsContact C-N 3.26Å; N376-I378 PolarHBondContact O-N 2.76Å; N376-I378 VanDerWaalsContact O-N 3.15Å; I378-V380 PolarHBondContact O-N 2.98Å; I378-T381 PolarHBondContact O-N 3.4Å; I378-L382 WeakPolarHBondContact O-CB 3.33Å; I378-L382 PolarHBondContact O-N 2.86Å |
| 379 | L | 85.2 | Confident | 81.6 | Confident | 14 Ų | 14 | 82.2 Ų | 82.2 | 7% | 0.073 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | -179.3 | -69.2 | 169.1 | 0 | 0 | 0 | 111.7 | M363 Y366 A367 I374 N376 P383 | M363-L379 HydrophobicContact CE-CB 4.03Å; M363-L379 HydrophobicContact CE-CD2 3.64Å; M363-L379 HydrophobicContact CE-CG 4.47Å; M363-L379 VanDerWaalsContact CE-O 3.31Å; M363-L379 WeakPolarHBondContact CE-O 2.92Å; Y366-L379 HydrophobicContact CD1-CD1 3.98Å; Y366-L379 HydrophobicContact CD1-CD2 4.17Å; Y366-L379 HydrophobicContact CE1-CD1 3.96Å; Y366-L379 HydrophobicContact CE1-CD2 4.07Å; A367-L379 HydrophobicContact CB-CB 4.06Å; A367-L379 HydrophobicContact CB-CD1 4.33Å; I374-L379 HydrophobicContact CG2-CD1 4.47Å; I374-L379 HydrophobicContact CG2-CD2 4.3Å; I374-L379 HydrophobicContact CG2-CG 4.02Å; N376-L379 PolarHBondContact O-N 3.48Å; L379-P383 VanDerWaalsContact O-CD 3.25Å; L379-P383 WeakPolarHBondContact O-CD 3.25Å |
| 380 | V | 85.4 | Confident | 81.7 | Confident | 37 Ų | 37 | 77.2 Ų | 77.2 | 22% | 0.224 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -72 | -28.8 | 179 | 175.1 | 0 | 0 | 0 | 0 | 112.6 | Q360 A367 N376 I378 | Q360-V380 PolarHBondContact NE2-O 2.91Å; A367-V380 HydrophobicContact CB-CG2 3.98Å; N376-V380 PolarHBondContact O-N 2.95Å; N376-V380 VanDerWaalsContact O-N 3.1Å; N376-V380 WeakPolarHBondContact OD1-CG2 3.21Å; I378-V380 PolarHBondContact O-N 2.98Å |
| 381 | T | 85.7 | Confident | 82.2 | Confident | 34 Ų | 34 | 77.6 Ų | 77.6 | 21% | 0.209 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -86.3 | -29.2 | -176.8 | -56.2 | 0 | 0 | 0 | 0 | 113 | F377 I378 K384 I385 | F377-T381 VanDerWaalsContact O-CB 3.26Å; F377-T381 WeakPolarHBondContact O-CB 3.28Å; F377-T381 PolarHBondContact O-N 2.78Å; F377-T381 VanDerWaalsContact O-N 3.15Å; F377-T381 PolarHBondContact O-OG1 2.66Å; I378-T381 PolarHBondContact O-N 3.4Å; T381-K384 WeakPolarHBondContact O-CB 3.48Å; T381-K384 PolarHBondContact O-N 3.48Å; T381-I385 HydrophobicContact CG2-CD1 3.93Å; T381-I385 HydrophobicContact CG2-CG1 4.12Å; T381-I385 PolarHBondContact O-N 3.44Å; T381-I385 VanDerWaalsContact O-N 3.15Å |
| 382 | L | 87 | Confident | 82.8 | Confident | 92 Ų | 92 | 74.2 Ų | 74.2 | 48% | 0.482 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -54.1 | -47.5 | -176.8 | -169 | 167.2 | 0 | 0 | 0 | 113.6 | I378 K384 I385 F386 | I378-L382 WeakPolarHBondContact O-CB 3.33Å; I378-L382 PolarHBondContact O-N 2.86Å; L382-K384 VanDerWaalsContact C-N 3.27Å; L382-K384 PolarHBondContact O-N 3.03Å; L382-I385 PolarHBondContact O-N 3.16Å; L382-F386 PolarHBondContact O-N 3.18Å |
| 383 | P | 86.8 | Confident | 83.9 | Confident | 4 Ų | 4 | 76.8 Ų | 76.8 | 3% | 0.026 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.4 | -39.2 | 175.6 | -27.3 | 37 | 0 | 0 | 0 | 113.4 | L359 M363 L379 F386 L387 | L359-P383 HydrophobicContact CD2-CB 3.45Å; L359-P383 VanDerWaalsContact CD2-CB 3.45Å; L359-P383 HydrophobicContact CD2-CG 3.48Å; L359-P383 VanDerWaalsContact CD2-CG 3.48Å; M363-P383 HydrophobicContact CB-CG 3.84Å; M363-P383 HydrophobicContact CG-CG 3.77Å; L379-P383 VanDerWaalsContact O-CD 3.25Å; L379-P383 WeakPolarHBondContact O-CD 3.25Å; P383-F386 PolarHBondContact O-N 2.97Å; P383-L387 WeakPolarHBondContact O-CB 3.34Å; P383-L387 PolarHBondContact O-N 2.73Å |
| 384 | K | 83.1 | Confident | 84.5 | Confident | 116 Ų | 116 | 69.9 Ų | 69.9 | 50% | 0.504 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | -179.3 | -57 | 178.4 | -177.7 | 174.4 | 0 | 111.5 | T381 L382 A388 | T381-K384 WeakPolarHBondContact O-CB 3.48Å; T381-K384 PolarHBondContact O-N 3.48Å; L382-K384 VanDerWaalsContact C-N 3.27Å; L382-K384 PolarHBondContact O-N 3.03Å; K384-A388 WeakPolarHBondContact O-CB 3.37Å; K384-A388 PolarHBondContact O-N 3.5Å |
| 385 | I | 87.2 | Confident | 84.8 | Confident | 102 Ų | 102 | 68.1 Ų | 68.1 | 52% | 0.523 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 176 | -63.1 | 169.8 | 0 | 0 | 0 | 110 | T381 L382 L387 A388 V389 | T381-I385 HydrophobicContact CG2-CD1 3.93Å; T381-I385 HydrophobicContact CG2-CG1 4.12Å; T381-I385 PolarHBondContact O-N 3.44Å; T381-I385 VanDerWaalsContact O-N 3.15Å; L382-I385 PolarHBondContact O-N 3.16Å; I385-L387 VanDerWaalsContact C-N 3.33Å; I385-L387 PolarHBondContact O-N 3.14Å; I385-A388 PolarHBondContact O-N 2.67Å; I385-V389 HydrophobicContact CG2-CG2 4.46Å; I385-V389 WeakPolarHBondContact O-CG2 3.36Å; I385-V389 PolarHBondContact O-N 2.99Å |
| 386 | F | 86 | Confident | 85.1 | Confident | 107 Ų | 107 | 70.5 Ų | 70.5 | 47% | 0.469 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | -179.7 | -174.7 | -94.2 | 0 | 0 | 0 | 112.3 | Y356 L382 P383 S390 | Y356-F386 HydrophobicContact CD1-CD1 4.27Å; Y356-F386 AromaticContact CE1-CD1 3.27Å; Y356-F386 HydrophobicContact CE1-CD1 3.27Å; Y356-F386 AromaticContact CE1-CE1 3.44Å; Y356-F386 HydrophobicContact CE1-CE1 3.44Å; Y356-F386 VanDerWaalsContact CE1-CE1 3.44Å; Y356-F386 AromaticContact CZ-CD1 3.77Å; Y356-F386 AromaticContact CZ-CE1 3.73Å; Y356-F386 WeakPolarHBondContact OH-CD1 3.22Å; Y356-F386 WeakPolarHBondContact OH-CE1 3.45Å; L382-F386 PolarHBondContact O-N 3.18Å; P383-F386 PolarHBondContact O-N 2.97Å; F386-S390 VanDerWaalsContact O-CB 3.27Å; F386-S390 WeakPolarHBondContact O-CB 3.45Å; F386-S390 PolarHBondContact O-N 3.47Å; F386-S390 PolarHBondContact O-OG 3.08Å |
| 387 | L | 83.9 | Confident | 85.4 | Confident | 61 Ų | 61 | 69.3 Ų | 69.3 | 32% | 0.319 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.3 | -50.4 | 170.1 | 172.4 | 67.3 | 0 | 0 | 0 | 111.4 | Y356 P383 I385 V389 S390 I391 | Y356-L387 HydrophobicContact CD1-CB 4.45Å; Y356-L387 HydrophobicContact CD2-CB 4.34Å; Y356-L387 HydrophobicContact CD2-CD1 3.12Å; Y356-L387 HydrophobicContact CD2-CG 4.29Å; Y356-L387 HydrophobicContact CE2-CB 4.43Å; Y356-L387 HydrophobicContact CE2-CD1 3.47Å; Y356-L387 VanDerWaalsContact CE2-CD1 3.47Å; Y356-L387 HydrophobicContact CG-CB 4.32Å; Y356-L387 HydrophobicContact CG-CD1 3.75Å; P383-L387 WeakPolarHBondContact O-CB 3.34Å; P383-L387 PolarHBondContact O-N 2.73Å; I385-L387 VanDerWaalsContact C-N 3.33Å; I385-L387 PolarHBondContact O-N 3.14Å; L387-V389 PolarHBondContact O-N 3.49Å; L387-S390 PolarHBondContact O-N 3.15Å; L387-I391 HydrophobicContact CD1-CD1 3.71Å; L387-I391 HydrophobicContact CD1-CG1 4.04Å; L387-I391 HydrophobicContact CG-CD1 3.82Å; L387-I391 HydrophobicContact CG-CG1 4.48Å; L387-I391 WeakPolarHBondContact O-CG1 3.43Å; L387-I391 PolarHBondContact O-N 2.92Å |
| 388 | A | 81.7 | Confident | 85.7 | Confident | 53 Ų | 53 | 62.4 Ų | 62.4 | 44% | 0.438 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K384 I385 S392 | K384-A388 WeakPolarHBondContact O-CB 3.37Å; K384-A388 PolarHBondContact O-N 3.5Å; I385-A388 PolarHBondContact O-N 2.67Å; A388-S392 PolarHBondContact O-N 3.27Å; A388-S392 PolarHBondContact O-OG 2.93Å |
| 389 | V | 86.9 | Confident | 85.9 | Confident | 74 Ų | 74 | 62.1 Ų | 62.1 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 175 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | I385 L387 S392 I393 | I385-V389 HydrophobicContact CG2-CG2 4.46Å; I385-V389 WeakPolarHBondContact O-CG2 3.36Å; I385-V389 PolarHBondContact O-N 2.99Å; L387-V389 PolarHBondContact O-N 3.49Å; V389-S392 WeakPolarHBondContact O-CB 3.32Å; V389-S392 PolarHBondContact O-N 3.35Å; V389-I393 HydrophobicContact CG1-CD1 3.78Å; V389-I393 HydrophobicContact CG1-CG1 4.49Å; V389-I393 WeakPolarHBondContact O-CG1 3.36Å; V389-I393 PolarHBondContact O-N 3.15Å |
| 390 | S | 83.7 | Confident | 86.2 | Confident | 23 Ų | 23 | 67.3 Ų | 67.3 | 16% | 0.161 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.6 | -40.7 | -177.9 | -62 | 0 | 0 | 0 | 0 | 113 | Y356 F386 L387 S392 I393 M394 | Y356-S390 WeakPolarHBondContact OH-CB 3.33Å; Y356-S390 PolarHBondContact OH-OG 3.31Å; F386-S390 VanDerWaalsContact O-CB 3.27Å; F386-S390 WeakPolarHBondContact O-CB 3.45Å; F386-S390 PolarHBondContact O-N 3.47Å; F386-S390 PolarHBondContact O-OG 3.08Å; L387-S390 PolarHBondContact O-N 3.15Å; S390-S392 VanDerWaalsContact C-N 3.3Å; S390-S392 PolarHBondContact O-N 3.31Å; S390-I393 PolarHBondContact O-N 3.19Å; S390-M394 VanDerWaalsContact O-CB 3.24Å; S390-M394 WeakPolarHBondContact O-CB 3.47Å; S390-M394 PolarHBondContact O-N 3.47Å |
| 391 | I | 83 | Confident | 86.6 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 28% | 0.282 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.5 | -46.9 | 172 | -67.9 | 167 | 0 | 0 | 0 | 109.7 | L387 I393 M394 D395 | L387-I391 HydrophobicContact CD1-CD1 3.71Å; L387-I391 HydrophobicContact CD1-CG1 4.04Å; L387-I391 HydrophobicContact CG-CD1 3.82Å; L387-I391 HydrophobicContact CG-CG1 4.48Å; L387-I391 WeakPolarHBondContact O-CG1 3.43Å; L387-I391 PolarHBondContact O-N 2.92Å; I391-I393 PolarHBondContact O-N 3.05Å; I391-M394 PolarHBondContact O-N 3.41Å; I391-D395 PolarHBondContact O-N 2.93Å |
| 392 | S | 83.8 | Confident | 87 | Confident | 79 Ų | 79 | 67 Ų | 67 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.3 | -41.5 | -179.5 | -56.2 | 0 | 0 | 0 | 0 | 113.1 | A388 V389 S390 F396 | A388-S392 PolarHBondContact O-N 3.27Å; A388-S392 PolarHBondContact O-OG 2.93Å; V389-S392 WeakPolarHBondContact O-CB 3.32Å; V389-S392 PolarHBondContact O-N 3.35Å; S390-S392 VanDerWaalsContact C-N 3.3Å; S390-S392 PolarHBondContact O-N 3.31Å; S392-F396 PolarHBondContact O-N 2.95Å |
| 393 | I | 88.1 | Confident | 87.2 | Confident | 106 Ų | 106 | 66 Ų | 66 | 54% | 0.544 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 176.6 | -67.7 | 168.5 | 0 | 0 | 0 | 110.8 | V389 S390 I391 F396 S397 | V389-I393 HydrophobicContact CG1-CD1 3.78Å; V389-I393 HydrophobicContact CG1-CG1 4.49Å; V389-I393 WeakPolarHBondContact O-CG1 3.36Å; V389-I393 PolarHBondContact O-N 3.15Å; S390-I393 PolarHBondContact O-N 3.19Å; I391-I393 PolarHBondContact O-N 3.05Å; I393-F396 PolarHBondContact O-N 3.46Å; I393-S397 WeakPolarHBondContact O-CB 3.34Å; I393-S397 PolarHBondContact O-N 3.49Å; I393-S397 PolarHBondContact O-OG 3.02Å; I393-S397 VanDerWaalsContact O-OG 3.06Å |
| 394 | M | 85.1 | Confident | 87.6 | Confident | 27 Ų | 27 | 72.5 Ų | 72.5 | 13% | 0.133 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.8 | -44.7 | -179.9 | -172.2 | 177.6 | 72.2 | 0 | 0 | 111.4 | V349 I352 S390 I391 F396 S397 Y398 | V349-M394 HydrophobicContact CB-CE 4.29Å; V349-M394 HydrophobicContact CB-SD 4.16Å; V349-M394 HydrophobicContact CG1-CE 3.81Å; V349-M394 HydrophobicContact CG1-SD 4.29Å; V349-M394 HydrophobicContact CG2-CE 3.76Å; V349-M394 HydrophobicContact CG2-CG 4.5Å; V349-M394 HydrophobicContact CG2-SD 3.43Å; V349-M394 WeakPolarHBondContact CG2-SD 3.03Å; I352-M394 HydrophobicContact CD1-SD 4.34Å; S390-M394 VanDerWaalsContact O-CB 3.24Å; S390-M394 WeakPolarHBondContact O-CB 3.47Å; S390-M394 PolarHBondContact O-N 3.47Å; I391-M394 PolarHBondContact O-N 3.41Å; M394-F396 VanDerWaalsContact C-N 3.32Å; M394-F396 PolarHBondContact O-N 2.93Å; M394-S397 WeakPolarHBondContact CA-OG 3.33Å; M394-S397 PolarHBondContact O-N 2.83Å; M394-S397 PolarHBondContact O-OG 3.16Å; M394-Y398 WeakPolarHBondContact O-CB 3.46Å; M394-Y398 PolarHBondContact O-N 3.33Å |
| 395 | D | 84 | Confident | 88.2 | Confident | 48 Ų | 48 | 67 Ų | 67 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 176.8 | -70.1 | -18 | 0 | 0 | 0 | 111.5 | I391 K399 N432 | I391-D395 PolarHBondContact O-N 2.93Å; D395-K399 WeakPolarHBondContact O-CG 3.48Å; D395-K399 PolarHBondContact O-N 2.66Å; D395-N432 PolarHBondContact OD1-ND2 3.07Å |
| 396 | F | 88.4 | Confident | 88.5 | Confident | 127 Ų | 127 | 62.1 Ų | 62.1 | 56% | 0.557 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66 | -46.7 | 176 | 177.6 | -103.7 | 0 | 0 | 0 | 112.8 | S392 I393 M394 Y398 K400 | S392-F396 PolarHBondContact O-N 2.95Å; I393-F396 PolarHBondContact O-N 3.46Å; M394-F396 VanDerWaalsContact C-N 3.32Å; M394-F396 PolarHBondContact O-N 2.93Å; F396-Y398 VanDerWaalsContact C-N 3.29Å; F396-Y398 PolarHBondContact O-N 2.86Å; F396-K400 HydrophobicContact CD1-CD 4.48Å; F396-K400 HydrophobicContact CE1-CD 3.94Å; F396-K400 HydrophobicContact CZ-CD 4.07Å; F396-K400 PolarHBondContact O-N 3.24Å |
| 397 | S | 89.3 | Confident | 88.9 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.7 | -36.2 | 179.2 | 60.9 | 0 | 0 | 0 | 0 | 111.3 | I393 M394 K400 I401 | I393-S397 WeakPolarHBondContact O-CB 3.34Å; I393-S397 PolarHBondContact O-N 3.49Å; I393-S397 PolarHBondContact O-OG 3.02Å; I393-S397 VanDerWaalsContact O-OG 3.06Å; M394-S397 WeakPolarHBondContact CA-OG 3.33Å; M394-S397 PolarHBondContact O-N 2.83Å; M394-S397 PolarHBondContact O-OG 3.16Å; S397-K400 WeakPolarHBondContact O-CB 3.42Å; S397-K400 PolarHBondContact O-N 2.81Å; S397-I401 VanDerWaalsContact O-CG1 3.27Å; S397-I401 WeakPolarHBondContact O-CG1 3.44Å; S397-I401 PolarHBondContact O-N 3.19Å |
| 398 | Y | 89.1 | Confident | 89.3 | Confident | 12 Ų | 12 | 61.7 Ų | 61.7 | 5% | 0.047 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.1 | -47.4 | 177.9 | -178.9 | -103.6 | 0 | 0 | 0 | 113.5 | M394 F396 K400 I401 A402 K424 L425 L428 | M394-Y398 WeakPolarHBondContact O-CB 3.46Å; M394-Y398 PolarHBondContact O-N 3.33Å; F396-Y398 VanDerWaalsContact C-N 3.29Å; F396-Y398 PolarHBondContact O-N 2.86Å; Y398-K400 PolarHBondContact O-N 3.34Å; Y398-I401 CarbonylContact O-C 3.56Å; Y398-I401 PolarHBondContact O-N 2.9Å; Y398-A402 HydrophobicContact CE1-CB 4.25Å; Y398-A402 WeakPolarHBondContact O-CB 3.48Å; Y398-A402 PolarHBondContact O-N 3.46Å; Y398-K424 WeakPolarHBondContact OH-CB 3.12Å; Y398-K424 PolarHBondContact OH-O 3.23Å; Y398-L425 HydrophobicContact CD1-CD2 4.25Å; Y398-L425 HydrophobicContact CE1-CD2 3.95Å; Y398-L428 HydrophobicContact CD1-CB 4.01Å; Y398-L428 HydrophobicContact CD1-CD2 3.3Å; Y398-L428 HydrophobicContact CD1-CG 4.21Å; Y398-L428 HydrophobicContact CD2-CB 4.22Å; Y398-L428 HydrophobicContact CD2-CD1 4.17Å; Y398-L428 HydrophobicContact CD2-CD2 3.35Å; Y398-L428 HydrophobicContact CD2-CG 4.06Å; Y398-L428 HydrophobicContact CE1-CB 3.46Å; Y398-L428 VanDerWaalsContact CE1-CB 3.46Å; Y398-L428 HydrophobicContact CE1-CD2 3.74Å; Y398-L428 HydrophobicContact CE1-CG 4.15Å; Y398-L428 HydrophobicContact CE2-CB 3.69Å; Y398-L428 HydrophobicContact CE2-CD1 4.06Å; Y398-L428 HydrophobicContact CE2-CD2 3.77Å; Y398-L428 HydrophobicContact CE2-CG 3.99Å; Y398-L428 HydrophobicContact CG-CB 4.34Å; Y398-L428 HydrophobicContact CG-CD2 3.06Å; Y398-L428 HydrophobicContact CG-CG 4.14Å |
| 399 | K | 90.1 | Very high | 89.8 | Confident | 83 Ų | 83 | 59.2 Ų | 59.2 | 36% | 0.361 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -54.4 | -40.9 | 175.4 | -74.8 | -172.4 | 179.5 | -163.6 | 0 | 110.6 | D395 A402 I403 L425 D603 | D395-K399 WeakPolarHBondContact O-CG 3.48Å; D395-K399 PolarHBondContact O-N 2.66Å; K399-A402 PolarHBondContact O-N 3.13Å; K399-I403 WeakPolarHBondContact O-CG1 3.28Å; K399-I403 PolarHBondContact O-N 3.29Å; K399-I403 VanDerWaalsContact O-N 3.09Å; K399-L425 HydrophobicContact CG-CD2 4.11Å; K399-D603 IonicContact NZ-OD1 3.45Å |
| 400 | K | 92.6 | Very high | 90.1 | Very high | 124 Ų | 124 | 56 Ų | 56 | 54% | 0.539 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 173.8 | -75.7 | -174.3 | 169.5 | -177.4 | 0 | 113.4 | F396 S397 Y398 A402 I403 W404 | F396-K400 HydrophobicContact CD1-CD 4.48Å; F396-K400 HydrophobicContact CE1-CD 3.94Å; F396-K400 HydrophobicContact CZ-CD 4.07Å; F396-K400 PolarHBondContact O-N 3.24Å; S397-K400 WeakPolarHBondContact O-CB 3.42Å; S397-K400 PolarHBondContact O-N 2.81Å; Y398-K400 PolarHBondContact O-N 3.34Å; K400-A402 VanDerWaalsContact C-N 3.34Å; K400-I403 PolarHBondContact O-N 3.31Å; K400-W404 WeakPolarHBondContact O-CB 3.33Å; K400-W404 PolarHBondContact O-N 3.29Å |
| 401 | I | 92.7 | Very high | 90.5 | Very high | 65 Ų | 65 | 55 Ų | 55 | 33% | 0.333 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 177.4 | -68.8 | 163.3 | 0 | 0 | 0 | 110.6 | I341 S397 Y398 I403 W404 L405 | I341-I401 HydrophobicContact CG2-CG2 4.13Å; S397-I401 VanDerWaalsContact O-CG1 3.27Å; S397-I401 WeakPolarHBondContact O-CG1 3.44Å; S397-I401 PolarHBondContact O-N 3.19Å; Y398-I401 CarbonylContact O-C 3.56Å; Y398-I401 PolarHBondContact O-N 2.9Å; I401-I403 PolarHBondContact O-N 2.63Å; I401-W404 PolarHBondContact O-N 2.75Å; I401-L405 HydrophobicContact CG2-CD1 3.87Å; I401-L405 HydrophobicContact CG2-CG 4.13Å; I401-L405 WeakPolarHBondContact O-CB 3.34Å; I401-L405 VanDerWaalsContact O-CG 3.28Å; I401-L405 WeakPolarHBondContact O-CG 3.46Å; I401-L405 PolarHBondContact O-N 3.23Å |
| 402 | A | 93.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y398 K399 K400 T406 Y421 K424 L425 | Y398-A402 HydrophobicContact CE1-CB 4.25Å; Y398-A402 WeakPolarHBondContact O-CB 3.48Å; Y398-A402 PolarHBondContact O-N 3.46Å; K399-A402 PolarHBondContact O-N 3.13Å; K400-A402 VanDerWaalsContact C-N 3.34Å; A402-T406 WeakPolarHBondContact O-CB 3.31Å; A402-T406 PolarHBondContact O-N 3.44Å; A402-T406 PolarHBondContact O-OG1 2.78Å; A402-Y421 HydrophobicContact CB-CD2 4.01Å; A402-Y421 HydrophobicContact CB-CE2 3.85Å; A402-K424 HydrophobicContact CB-CB 4.29Å; A402-L425 HydrophobicContact CB-CD2 4.42Å |
| 403 | I | 93.3 | Very high | 91.1 | Very high | 69 Ų | 69 | 51.3 Ų | 51.3 | 35% | 0.354 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.8 | -49.6 | 172.5 | -66.4 | 167.2 | 0 | 0 | 0 | 109.9 | K399 K400 I401 L405 T406 D407 Y421 | K399-I403 WeakPolarHBondContact O-CG1 3.28Å; K399-I403 PolarHBondContact O-N 3.29Å; K399-I403 VanDerWaalsContact O-N 3.09Å; K400-I403 PolarHBondContact O-N 3.31Å; I401-I403 PolarHBondContact O-N 2.63Å; I403-L405 PolarHBondContact O-N 3.06Å; I403-T406 PolarHBondContact O-N 3.44Å; I403-T406 VanDerWaalsContact O-N 3.12Å; I403-D407 WeakPolarHBondContact O-CB 3.23Å; I403-D407 PolarHBondContact O-N 3.39Å; I403-Y421 HydrophobicContact CG1-CD2 4.24Å; I403-Y421 HydrophobicContact CG1-CE2 3.65Å |
| 404 | W | 94.3 | Very high | 91 | Very high | 141 Ų | 141 | 49.9 Ų | 49.9 | 53% | 0.534 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -58.4 | -44 | -179.8 | 177 | 79.2 | 0 | 0 | 0 | 112.9 | I341 K400 I401 D407 F408 | I341-W404 HydrophobicContact CD1-CZ3 4.06Å; K400-W404 WeakPolarHBondContact O-CB 3.33Å; K400-W404 PolarHBondContact O-N 3.29Å; I401-W404 PolarHBondContact O-N 2.75Å; W404-D407 PolarHBondContact O-N 3.15Å; W404-F408 WeakPolarHBondContact O-CB 3.41Å; W404-F408 PolarHBondContact O-N 2.74Å |
| 405 | L | 95.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 175.5 | -73.9 | 175.2 | 0 | 0 | 0 | 111.6 | T338 I341 V342 I401 I403 F408 E409 K424 | T338-L405 HydrophobicContact CG2-CD2 4.2Å; I341-L405 HydrophobicContact CB-CD1 4.43Å; I341-L405 HydrophobicContact CB-CD2 4.35Å; I341-L405 HydrophobicContact CD1-CD2 3.89Å; I341-L405 HydrophobicContact CG2-CD1 3.99Å; I341-L405 HydrophobicContact CG2-CD2 4.29Å; V342-L405 HydrophobicContact CG2-CD1 3.91Å; I401-L405 HydrophobicContact CG2-CD1 3.87Å; I401-L405 HydrophobicContact CG2-CG 4.13Å; I401-L405 WeakPolarHBondContact O-CB 3.34Å; I401-L405 VanDerWaalsContact O-CG 3.28Å; I401-L405 WeakPolarHBondContact O-CG 3.46Å; I401-L405 PolarHBondContact O-N 3.23Å; I403-L405 PolarHBondContact O-N 3.06Å; L405-F408 WeakPolarHBondContact O-CB 3.31Å; L405-F408 PolarHBondContact O-N 3.32Å; L405-E409 VanDerWaalsContact O-CG 3.32Å; L405-E409 WeakPolarHBondContact O-CG 3.36Å; L405-E409 PolarHBondContact O-N 2.78Å; L405-K424 HydrophobicContact CB-CD 4.27Å; L405-K424 HydrophobicContact CD1-CD 4.38Å |
| 406 | T | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.5 | -35.5 | -177.9 | -48.9 | 0 | 0 | 0 | 0 | 111.5 | A402 I403 F408 E409 N410 Y417 H420 K424 | A402-T406 WeakPolarHBondContact O-CB 3.31Å; A402-T406 PolarHBondContact O-N 3.44Å; A402-T406 PolarHBondContact O-OG1 2.78Å; I403-T406 PolarHBondContact O-N 3.44Å; I403-T406 VanDerWaalsContact O-N 3.12Å; T406-F408 VanDerWaalsContact C-N 3.28Å; T406-F408 PolarHBondContact O-N 2.94Å; T406-E409 PolarHBondContact O-N 3.34Å; T406-N410 PolarHBondContact O-N 3.1Å; T406-N410 VanDerWaalsContact O-N 3.1Å; T406-Y417 HydrophobicContact CG2-CD1 4.32Å; T406-Y417 HydrophobicContact CG2-CD2 3.53Å; T406-Y417 HydrophobicContact CG2-CE1 4.23Å; T406-Y417 HydrophobicContact CG2-CE2 3.45Å; T406-Y417 VanDerWaalsContact CG2-CE2 3.45Å; T406-Y417 HydrophobicContact CG2-CG 3.97Å; T406-Y417 WeakPolarHBondContact CG2-O 3.5Å; T406-H420 HydrophobicContact CG2-CB 4.37Å; T406-K424 PolarHBondContact OG1-NZ 2.66Å |
| 407 | D | 93.6 | Very high | 91.7 | Very high | 72 Ų | 72 | 47.5 Ų | 47.5 | 39% | 0.385 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.7 | -35.8 | 169.9 | -77.3 | -20.3 | 0 | 0 | 0 | 112 | R305 I403 W404 N410 Y417 | R305-D407 IonicContact NH1-OD1 3.28Å; R305-D407 IonicContact NH2-OD1 3.31Å; I403-D407 WeakPolarHBondContact O-CB 3.23Å; I403-D407 PolarHBondContact O-N 3.39Å; W404-D407 PolarHBondContact O-N 3.15Å; D407-N410 PolarHBondContact O-N 2.77Å; D407-Y417 VanDerWaalsContact OD1-CE2 3.25Å; D407-Y417 WeakPolarHBondContact OD1-CE2 3.22Å; D407-Y417 PolarHBondContact OD1-OH 2.78Å |
| 408 | F | 92.8 | Very high | 91.8 | Very high | 87 Ų | 87 | 46.1 Ų | 46.1 | 38% | 0.382 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -72.5 | -35.4 | 176.5 | -167 | -104.3 | 0 | 0 | 0 | 112.7 | I333 I337 W404 L405 T406 N410 | I333-F408 HydrophobicContact CB-CE1 4.31Å; I333-F408 HydrophobicContact CD1-CD1 4.22Å; I333-F408 HydrophobicContact CD1-CE1 3.83Å; I333-F408 HydrophobicContact CD1-CZ 4.36Å; I333-F408 HydrophobicContact CG1-CD1 4.36Å; I333-F408 HydrophobicContact CG1-CE1 3.79Å; I333-F408 HydrophobicContact CG2-CD1 3.4Å; I333-F408 VanDerWaalsContact CG2-CD1 3.4Å; I333-F408 HydrophobicContact CG2-CE1 3.63Å; I337-F408 HydrophobicContact CD1-CE1 3.59Å; I337-F408 HydrophobicContact CD1-CZ 4.17Å; I337-F408 HydrophobicContact CG2-CD1 4.37Å; I337-F408 HydrophobicContact CG2-CE1 4.27Å; W404-F408 WeakPolarHBondContact O-CB 3.41Å; W404-F408 PolarHBondContact O-N 2.74Å; L405-F408 WeakPolarHBondContact O-CB 3.31Å; L405-F408 PolarHBondContact O-N 3.32Å; T406-F408 VanDerWaalsContact C-N 3.28Å; T406-F408 PolarHBondContact O-N 2.94Å; F408-N410 VanDerWaalsContact C-N 3.26Å; F408-N410 PolarHBondContact O-N 3.03Å |
| 409 | E | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.7 | -32.2 | 171.2 | -72.2 | 164 | -157.2 | 0 | 0 | 112.7 | R330 I333 L334 T338 L405 T406 H411 K424 | R330-E409 VanDerWaalsContact CD-O 3.29Å; R330-E409 WeakPolarHBondContact CD-O 3.13Å; R330-E409 WeakPolarHBondContact CG-O 3.18Å; I333-E409 HydrophobicContact CG2-CG 4.29Å; L334-E409 HydrophobicContact CD2-CG 3.61Å; L334-E409 HydrophobicContact CG-CG 4.27Å; T338-E409 WeakPolarHBondContact CB-OE1 3.41Å; T338-E409 HydrophobicContact CG2-CG 3.55Å; T338-E409 WeakPolarHBondContact CG2-OE1 3.45Å; L405-E409 VanDerWaalsContact O-CG 3.32Å; L405-E409 WeakPolarHBondContact O-CG 3.36Å; L405-E409 PolarHBondContact O-N 2.78Å; T406-E409 PolarHBondContact O-N 3.34Å; E409-H411 IonicContact OE2-CD2 3.54Å; E409-H411 IonicContact OE2-CE1 2.81Å; E409-H411 IonicContact OE2-NE2 2.55Å; E409-H411 PolarHBondContact OE2-NE2 3.5Å; E409-K424 WeakPolarHBondContact OE1-CE 3.4Å; E409-K424 IonicContact OE1-NZ 2.7Å; E409-K424 PolarHBondContact OE1-NZ 2.91Å; E409-K424 IonicContact OE2-NZ 2.84Å; E409-K424 PolarHBondContact OE2-NZ 2.88Å |
| 410 | N | 92.1 | Very high | 92.2 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | trans | 53.5 | 77 | 174.2 | -178.4 | 55.7 | 0 | 0 | 0 | 113.2 | F308 K309 Y325 T406 D407 F408 | F308-N410 VanDerWaalsContact CD2-OD1 3.29Å; F308-N410 WeakPolarHBondContact CD2-OD1 3.34Å; F308-N410 WeakPolarHBondContact CE2-ND2 3.29Å; F308-N410 WeakPolarHBondContact CE2-O 3.32Å; K309-N410 PolarHBondContact N-OD1 2.93Å; K309-N410 PolarHBondContact O-ND2 3.06Å; Y325-N410 WeakPolarHBondContact CD2-ND2 3.49Å; T406-N410 PolarHBondContact O-N 3.1Å; T406-N410 VanDerWaalsContact O-N 3.1Å; D407-N410 PolarHBondContact O-N 2.77Å; F408-N410 VanDerWaalsContact C-N 3.26Å; F408-N410 PolarHBondContact O-N 3.03Å | ||
| 411 | H | 92.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | trans | -83 | 144.1 | 175.2 | -62.6 | -72.6 | 0 | 0 | 0 | 112.2 | F308 E409 D416 H420 | F308-H411 WeakPolarHBondContact CD2-O 3.32Å; E409-H411 IonicContact OE2-CD2 3.54Å; E409-H411 IonicContact OE2-CE1 2.81Å; E409-H411 IonicContact OE2-NE2 2.55Å; E409-H411 PolarHBondContact OE2-NE2 3.5Å; H411-D416 HydrophobicContact CB-CB 4.2Å; H411-H420 AromaticContact CE1-CD2 3.47Å; H411-H420 PolarHBondContact CE1-CD2 2.64Å; H411-H420 VanDerWaalsContact CE1-CD2 3.47Å; H411-H420 AromaticContact CE1-CE1 3.52Å; H411-H420 AromaticContact CE1-CG 3.46Å; H411-H420 VanDerWaalsContact CE1-CG 3.46Å; H411-H420 AromaticContact CE1-ND1 3.49Å; H411-H420 PolarHBondContact CE1-ND1 3.24Å; H411-H420 AromaticContact CE1-NE2 3.51Å; H411-H420 AromaticContact ND1-ND1 3.98Å; H411-H420 WeakPolarHBondContact NE2-CB 3.35Å; H411-H420 AromaticContact NE2-CD2 3.6Å; H411-H420 AromaticContact NE2-CG 3.31Å; H411-H420 VanDerWaalsContact NE2-CG 3.31Å; H411-H420 AromaticContact NE2-ND1 3.69Å | ||
| 412 | R | 88.9 | Confident | 92.3 | Very high | 45 Ų | 45 | 40.2 Ų | 40.2 | 17% | 0.17 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -74.5 | -50.3 | -175 | -175.1 | -178.1 | 68.5 | 122.8 | 2 | 112.2 | S299 P304 R305 F308 | S299-R412 PolarHBondContact O-NH2 3.43Å; P304-R412 WeakPolarHBondContact CA-O 3.3Å; P304-R412 HydrophobicContact CB-CG 3.89Å; R305-R412 WeakPolarHBondContact CB-O 3.16Å; R305-R412 PolarHBondContact N-O 2.61Å; F308-R412 HydrophobicContact CD1-CG 4.44Å; F308-R412 VanDerWaalsContact CD2-CA 3.48Å; F308-R412 HydrophobicContact CD2-CB 4.23Å; F308-R412 HydrophobicContact CE1-CG 4.29Å; F308-R412 HydrophobicContact CE2-CB 3.88Å; F308-R412 HydrophobicContact CE2-CG 4.48Å; F308-R412 HydrophobicContact CZ-CB 4.02Å; F308-R412 HydrophobicContact CZ-CG 4.27Å |
| 413 | L | 89.6 | Confident | 92.4 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.063 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -91.6 | 148.2 | -177 | -58.1 | 177.2 | 0 | 0 | 0 | 109.9 | E302 D416 Y417 | E302-L413 HydrophobicContact CB-CD2 3.73Å; L413-D416 HydrophobicContact CB-CB 4.23Å; L413-D416 PolarHBondContact O-N 3.45Å; L413-Y417 PolarHBondContact O-N 3Å |
| 414 | E | 87.8 | Confident | 92.4 | Very high | 75 Ų | 75 | 40.2 Ų | 40.2 | 35% | 0.35 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.5 | -41.6 | 178.9 | -173.8 | 58.1 | -146.7 | 0 | 0 | 111.3 | R305 Y417 N418 | R305-E414 WeakPolarHBondContact CD-OE2 3.4Å; R305-E414 WeakPolarHBondContact CG-OE2 3.42Å; E414-Y417 WeakPolarHBondContact O-CB 3.23Å; E414-Y417 PolarHBondContact O-N 2.88Å; E414-N418 WeakPolarHBondContact O-CB 3.44Å; E414-N418 PolarHBondContact O-N 3.1Å; E414-N418 PolarHBondContact O-ND2 3.33Å; E414-N418 PolarHBondContact OE1-ND2 2.82Å |
| 415 | D | 88 | Confident | 92.3 | Very high | 64 Ų | 64 | 33.9 Ų | 33.9 | 34% | 0.342 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.9 | -38.8 | 178.1 | -71 | -37.6 | 0 | 0 | 0 | 112.3 | K223 N418 N419 | K223-D415 IonicContact NZ-OD1 2.66Å; D415-N418 PolarHBondContact O-N 3.28Å; D415-N419 VanDerWaalsContact O-CB 3.29Å; D415-N419 WeakPolarHBondContact O-CB 3.39Å; D415-N419 PolarHBondContact O-N 3.27Å; D415-N419 PolarHBondContact O-ND2 3.45Å; D415-N419 VanDerWaalsContact O-ND2 3.09Å |
| 416 | D | 90.4 | Very high | 92.3 | Very high | 69 Ų | 69 | 34.6 Ų | 34.6 | 37% | 0.369 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.5 | -44.6 | 174.2 | -76.5 | -22.2 | 0 | 0 | 0 | 111.5 | H411 L413 N419 H420 | H411-D416 HydrophobicContact CB-CB 4.2Å; L413-D416 HydrophobicContact CB-CB 4.23Å; L413-D416 PolarHBondContact O-N 3.45Å; D416-N419 PolarHBondContact O-N 3.45Å; D416-H420 PolarHBondContact O-N 3.45Å; D416-H420 VanDerWaalsContact O-N 3.11Å; D416-H420 PolarHBondContact O-ND1 3.46Å |
| 417 | Y | 92.7 | Very high | 92.3 | Very high | 19 Ų | 19 | 38.6 Ų | 38.6 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.2 | -52.3 | 176.2 | 179.1 | -87.9 | 0 | 0 | 0 | 110.8 | T406 D407 L413 E414 N419 H420 Y421 | T406-Y417 HydrophobicContact CG2-CD1 4.32Å; T406-Y417 HydrophobicContact CG2-CD2 3.53Å; T406-Y417 HydrophobicContact CG2-CE1 4.23Å; T406-Y417 HydrophobicContact CG2-CE2 3.45Å; T406-Y417 VanDerWaalsContact CG2-CE2 3.45Å; T406-Y417 HydrophobicContact CG2-CG 3.97Å; T406-Y417 WeakPolarHBondContact CG2-O 3.5Å; D407-Y417 VanDerWaalsContact OD1-CE2 3.25Å; D407-Y417 WeakPolarHBondContact OD1-CE2 3.22Å; D407-Y417 PolarHBondContact OD1-OH 2.78Å; L413-Y417 PolarHBondContact O-N 3Å; E414-Y417 WeakPolarHBondContact O-CB 3.23Å; E414-Y417 PolarHBondContact O-N 2.88Å; Y417-N419 PolarHBondContact O-N 3.34Å; Y417-H420 PolarHBondContact O-N 3.5Å; Y417-Y421 PolarHBondContact O-N 2.96Å |
| 418 | N | 91.5 | Very high | 92.1 | Very high | 21 Ų | 21 | 35.2 Ų | 35.2 | 11% | 0.112 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.1 | -39.3 | -178.5 | -72.1 | -36.7 | 0 | 0 | 0 | 112 | E414 D415 H420 Y421 V422 D600 | E414-N418 WeakPolarHBondContact O-CB 3.44Å; E414-N418 PolarHBondContact O-N 3.1Å; E414-N418 PolarHBondContact O-ND2 3.33Å; E414-N418 PolarHBondContact OE1-ND2 2.82Å; D415-N418 PolarHBondContact O-N 3.28Å; N418-H420 PolarHBondContact O-N 2.73Å; N418-Y421 PolarHBondContact O-N 2.86Å; N418-V422 WeakPolarHBondContact O-CB 3.34Å; N418-V422 WeakPolarHBondContact O-CG2 3.47Å; N418-V422 PolarHBondContact O-N 3.34Å; N418-D600 PolarHBondContact ND2-OD2 2.96Å |
| 419 | N | 93.2 | Very high | 92 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 29% | 0.294 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.4 | -47.8 | 174.9 | -73.6 | -27.8 | 0 | 0 | 0 | 111.7 | D415 D416 Y417 Y421 V422 V423 I661 | D415-N419 VanDerWaalsContact O-CB 3.29Å; D415-N419 WeakPolarHBondContact O-CB 3.39Å; D415-N419 PolarHBondContact O-N 3.27Å; D415-N419 PolarHBondContact O-ND2 3.45Å; D415-N419 VanDerWaalsContact O-ND2 3.09Å; D416-N419 PolarHBondContact O-N 3.45Å; Y417-N419 PolarHBondContact O-N 3.34Å; N419-Y421 VanDerWaalsContact C-N 3.35Å; N419-Y421 PolarHBondContact O-N 2.95Å; N419-V422 PolarHBondContact O-N 3.16Å; N419-V423 WeakPolarHBondContact O-CG2 3.37Å; N419-V423 PolarHBondContact O-N 3.18Å; N419-I661 HydrophobicContact CB-CB 4.45Å |
| 420 | H | 93.6 | Very high | 91.9 | Very high | 68 Ų | 68 | 34.7 Ų | 34.7 | 32% | 0.315 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -69.7 | -31.7 | 179.8 | -73 | 77.5 | 0 | 0 | 0 | 113 | T406 H411 D416 Y417 N418 K424 | T406-H420 HydrophobicContact CG2-CB 4.37Å; H411-H420 AromaticContact CE1-CD2 3.47Å; H411-H420 PolarHBondContact CE1-CD2 2.64Å; H411-H420 VanDerWaalsContact CE1-CD2 3.47Å; H411-H420 AromaticContact CE1-CE1 3.52Å; H411-H420 AromaticContact CE1-CG 3.46Å; H411-H420 VanDerWaalsContact CE1-CG 3.46Å; H411-H420 AromaticContact CE1-ND1 3.49Å; H411-H420 PolarHBondContact CE1-ND1 3.24Å; H411-H420 AromaticContact CE1-NE2 3.51Å; H411-H420 AromaticContact ND1-ND1 3.98Å; H411-H420 WeakPolarHBondContact NE2-CB 3.35Å; H411-H420 AromaticContact NE2-CD2 3.6Å; H411-H420 AromaticContact NE2-CG 3.31Å; H411-H420 VanDerWaalsContact NE2-CG 3.31Å; H411-H420 AromaticContact NE2-ND1 3.69Å; D416-H420 PolarHBondContact O-N 3.45Å; D416-H420 VanDerWaalsContact O-N 3.11Å; D416-H420 PolarHBondContact O-ND1 3.46Å; Y417-H420 PolarHBondContact O-N 3.5Å; N418-H420 PolarHBondContact O-N 2.73Å; H420-K424 WeakPolarHBondContact O-CG 3.26Å; H420-K424 PolarHBondContact O-NZ 3.01Å |
| 421 | Y | 94.2 | Very high | 91.8 | Very high | 34 Ų | 34 | 35.8 Ų | 35.8 | 13% | 0.133 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -48.2 | 171 | 168.7 | -116.5 | 0 | 0 | 0 | 111.1 | A402 I403 Y417 N418 N419 V423 K424 L425 | A402-Y421 HydrophobicContact CB-CD2 4.01Å; A402-Y421 HydrophobicContact CB-CE2 3.85Å; I403-Y421 HydrophobicContact CG1-CD2 4.24Å; I403-Y421 HydrophobicContact CG1-CE2 3.65Å; Y417-Y421 PolarHBondContact O-N 2.96Å; N418-Y421 PolarHBondContact O-N 2.86Å; N419-Y421 VanDerWaalsContact C-N 3.35Å; N419-Y421 PolarHBondContact O-N 2.95Å; Y421-V423 PolarHBondContact O-N 2.92Å; Y421-K424 WeakPolarHBondContact O-CB 3.02Å; Y421-K424 PolarHBondContact O-N 3.43Å; Y421-L425 HydrophobicContact CD1-CD1 4.07Å; Y421-L425 HydrophobicContact CD2-CG 4.42Å; Y421-L425 HydrophobicContact CE1-CD1 3.44Å; Y421-L425 VanDerWaalsContact CE1-CD1 3.44Å; Y421-L425 HydrophobicContact CE1-CG 4.24Å; Y421-L425 HydrophobicContact CE2-CD1 4.03Å; Y421-L425 HydrophobicContact CE2-CD2 4.08Å; Y421-L425 HydrophobicContact CE2-CG 3.96Å; Y421-L425 VanDerWaalsContact CZ-CD1 3.43Å; Y421-L425 PolarHBondContact O-N 3.46Å; Y421-L425 VanDerWaalsContact O-N 3.11Å |
| 422 | V | 94.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.018 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 179.9 | 168.7 | 0 | 0 | 0 | 0 | 112.2 | N418 N419 K424 L425 I426 T602 I661 W662 | N418-V422 WeakPolarHBondContact O-CB 3.34Å; N418-V422 WeakPolarHBondContact O-CG2 3.47Å; N418-V422 PolarHBondContact O-N 3.34Å; N419-V422 PolarHBondContact O-N 3.16Å; V422-K424 VanDerWaalsContact C-N 3.27Å; V422-K424 PolarHBondContact O-N 3.44Å; V422-L425 WeakPolarHBondContact O-CB 3.49Å; V422-L425 PolarHBondContact O-N 2.97Å; V422-I426 HydrophobicContact CG1-CD1 3.54Å; V422-I426 HydrophobicContact CG1-CG1 4.13Å; V422-I426 VanDerWaalsContact O-CG1 3.32Å; V422-I426 WeakPolarHBondContact O-CG1 3.1Å; V422-I426 PolarHBondContact O-N 3.33Å; V422-T602 HydrophobicContact CG2-CG2 3.54Å; V422-I661 HydrophobicContact CB-CG2 4.05Å; V422-I661 HydrophobicContact CG1-CG2 3.56Å; V422-W662 HydrophobicContact CG1-CD2 4.35Å; V422-W662 HydrophobicContact CG1-CH2 3.9Å; V422-W662 HydrophobicContact CG1-CZ2 3.42Å; V422-W662 VanDerWaalsContact CG1-CZ2 3.42Å; V422-W662 HydrophobicContact CG2-CZ2 4.45Å |
| 423 | V | 94.8 | Very high | 91.4 | Very high | 57 Ų | 57 | 35.8 Ų | 35.8 | 35% | 0.345 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -55.6 | -44.7 | 174.8 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | N419 Y421 I426 L427 I661 | N419-V423 WeakPolarHBondContact O-CG2 3.37Å; N419-V423 PolarHBondContact O-N 3.18Å; Y421-V423 PolarHBondContact O-N 2.92Å; V423-I426 PolarHBondContact O-N 3.25Å; V423-L427 HydrophobicContact CG1-CD1 4.12Å; V423-L427 WeakPolarHBondContact O-CG 3.31Å; V423-L427 PolarHBondContact O-N 3.44Å; V423-L427 VanDerWaalsContact O-N 3.08Å; V423-I661 HydrophobicContact CG2-CD1 3.76Å; V423-I661 HydrophobicContact CG2-CG1 3.6Å |
| 424 | K | 94.2 | Very high | 91.6 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.6 | -54.4 | 177.7 | -62.2 | 174.8 | -169.1 | 84.2 | 0 | 109.4 | V342 Y398 A402 L405 T406 E409 H420 Y421 V422 I426 L427 L428 | V342-K424 HydrophobicContact CG2-CD 4.47Å; V342-K424 HydrophobicContact CG2-CG 4.27Å; Y398-K424 WeakPolarHBondContact OH-CB 3.12Å; Y398-K424 PolarHBondContact OH-O 3.23Å; A402-K424 HydrophobicContact CB-CB 4.29Å; L405-K424 HydrophobicContact CB-CD 4.27Å; L405-K424 HydrophobicContact CD1-CD 4.38Å; T406-K424 PolarHBondContact OG1-NZ 2.66Å; E409-K424 WeakPolarHBondContact OE1-CE 3.4Å; E409-K424 IonicContact OE1-NZ 2.7Å; E409-K424 PolarHBondContact OE1-NZ 2.91Å; E409-K424 IonicContact OE2-NZ 2.84Å; E409-K424 PolarHBondContact OE2-NZ 2.88Å; H420-K424 WeakPolarHBondContact O-CG 3.26Å; H420-K424 PolarHBondContact O-NZ 3.01Å; Y421-K424 WeakPolarHBondContact O-CB 3.02Å; Y421-K424 PolarHBondContact O-N 3.43Å; V422-K424 VanDerWaalsContact C-N 3.27Å; V422-K424 PolarHBondContact O-N 3.44Å; K424-I426 VanDerWaalsContact C-N 3.26Å; K424-I426 PolarHBondContact O-N 3.01Å; K424-L427 PolarHBondContact O-N 3.31Å; K424-L428 PolarHBondContact O-N 3.45Å |
| 425 | L | 92.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -47.6 | -48.2 | 176.7 | -70.1 | -177.1 | 0 | 0 | 0 | 113.3 | Y398 K399 A402 Y421 V422 Q429 | Y398-L425 HydrophobicContact CD1-CD2 4.25Å; Y398-L425 HydrophobicContact CE1-CD2 3.95Å; K399-L425 HydrophobicContact CG-CD2 4.11Å; A402-L425 HydrophobicContact CB-CD2 4.42Å; Y421-L425 HydrophobicContact CD1-CD1 4.07Å; Y421-L425 HydrophobicContact CD2-CG 4.42Å; Y421-L425 HydrophobicContact CE1-CD1 3.44Å; Y421-L425 VanDerWaalsContact CE1-CD1 3.44Å; Y421-L425 HydrophobicContact CE1-CG 4.24Å; Y421-L425 HydrophobicContact CE2-CD1 4.03Å; Y421-L425 HydrophobicContact CE2-CD2 4.08Å; Y421-L425 HydrophobicContact CE2-CG 3.96Å; Y421-L425 VanDerWaalsContact CZ-CD1 3.43Å; Y421-L425 PolarHBondContact O-N 3.46Å; Y421-L425 VanDerWaalsContact O-N 3.11Å; V422-L425 WeakPolarHBondContact O-CB 3.49Å; V422-L425 PolarHBondContact O-N 2.97Å; L425-Q429 WeakPolarHBondContact O-CB 3.28Å; L425-Q429 PolarHBondContact O-N 3.13Å |
| 426 | I | 94.3 | Very high | 91.6 | Very high | 16 Ų | 16 | 33.2 Ų | 33.2 | 8% | 0.082 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.7 | -47.4 | 179.5 | -70.3 | 164.8 | 0 | 0 | 0 | 111.1 | V422 V423 K424 L428 Q429 F430 L606 F609 W662 A665 | V422-I426 HydrophobicContact CG1-CD1 3.54Å; V422-I426 HydrophobicContact CG1-CG1 4.13Å; V422-I426 VanDerWaalsContact O-CG1 3.32Å; V422-I426 WeakPolarHBondContact O-CG1 3.1Å; V422-I426 PolarHBondContact O-N 3.33Å; V423-I426 PolarHBondContact O-N 3.25Å; K424-I426 VanDerWaalsContact C-N 3.26Å; K424-I426 PolarHBondContact O-N 3.01Å; I426-L428 PolarHBondContact O-N 3.11Å; I426-Q429 PolarHBondContact O-N 2.78Å; I426-F430 WeakPolarHBondContact O-CB 3.4Å; I426-F430 PolarHBondContact O-N 2.93Å; I426-L606 HydrophobicContact CG1-CD1 4.31Å; I426-F609 HydrophobicContact CG2-CE1 3.66Å; I426-F609 HydrophobicContact CG2-CZ 3.65Å; I426-W662 HydrophobicContact CD1-CD2 4.36Å; I426-W662 HydrophobicContact CD1-CE3 3.73Å; I426-W662 HydrophobicContact CD1-CH2 3.89Å; I426-W662 HydrophobicContact CD1-CZ3 3.48Å; I426-W662 VanDerWaalsContact CD1-CZ3 3.48Å; I426-W662 HydrophobicContact CG1-CE3 4.32Å; I426-W662 HydrophobicContact CG1-CH2 3.8Å; I426-W662 HydrophobicContact CG1-CZ3 3.56Å; I426-A665 HydrophobicContact CD1-CB 3.8Å; I426-A665 HydrophobicContact CG2-CB 4.45Å |
| 427 | L | 93.2 | Very high | 91.6 | Very high | 83 Ų | 83 | 30.1 Ų | 30.1 | 44% | 0.435 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -58.5 | -47.4 | -177.6 | -72.7 | 172.3 | 0 | 0 | 0 | 112.1 | V342 L346 V423 K424 V431 | V342-L427 HydrophobicContact CG1-CD1 4.28Å; L346-L427 WeakPolarHBondContact CD2-O 3.13Å; V423-L427 HydrophobicContact CG1-CD1 4.12Å; V423-L427 WeakPolarHBondContact O-CG 3.31Å; V423-L427 PolarHBondContact O-N 3.44Å; V423-L427 VanDerWaalsContact O-N 3.08Å; K424-L427 PolarHBondContact O-N 3.31Å; L427-V431 PolarHBondContact O-N 3.3Å |
| 428 | L | 89.8 | Confident | 91.6 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.3 | -48.9 | 178.8 | -169.8 | 83.4 | 0 | 0 | 0 | 111.8 | L346 V349 Y398 K424 I426 F430 V431 N432 | L346-L428 HydrophobicContact CD2-CB 4.28Å; L346-L428 HydrophobicContact CD2-CD1 3.82Å; V349-L428 HydrophobicContact CG2-CD1 3.47Å; V349-L428 VanDerWaalsContact CG2-CD1 3.47Å; V349-L428 HydrophobicContact CG2-CG 4.36Å; Y398-L428 HydrophobicContact CD1-CB 4.01Å; Y398-L428 HydrophobicContact CD1-CD2 3.3Å; Y398-L428 HydrophobicContact CD1-CG 4.21Å; Y398-L428 HydrophobicContact CD2-CB 4.22Å; Y398-L428 HydrophobicContact CD2-CD1 4.17Å; Y398-L428 HydrophobicContact CD2-CD2 3.35Å; Y398-L428 HydrophobicContact CD2-CG 4.06Å; Y398-L428 HydrophobicContact CE1-CB 3.46Å; Y398-L428 VanDerWaalsContact CE1-CB 3.46Å; Y398-L428 HydrophobicContact CE1-CD2 3.74Å; Y398-L428 HydrophobicContact CE1-CG 4.15Å; Y398-L428 HydrophobicContact CE2-CB 3.69Å; Y398-L428 HydrophobicContact CE2-CD1 4.06Å; Y398-L428 HydrophobicContact CE2-CD2 3.77Å; Y398-L428 HydrophobicContact CE2-CG 3.99Å; Y398-L428 HydrophobicContact CG-CB 4.34Å; Y398-L428 HydrophobicContact CG-CD2 3.06Å; Y398-L428 HydrophobicContact CG-CG 4.14Å; K424-L428 PolarHBondContact O-N 3.45Å; I426-L428 PolarHBondContact O-N 3.11Å; L428-F430 PolarHBondContact O-N 2.87Å; L428-V431 PolarHBondContact O-N 3.21Å; L428-V431 VanDerWaalsContact O-N 3.11Å; L428-N432 WeakPolarHBondContact O-CB 3.21Å; L428-N432 PolarHBondContact O-N 3.32Å |
| 429 | Q | 90 | Very high | 91.5 | Very high | 46 Ų | 46 | 32 Ų | 32 | 22% | 0.215 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -34.7 | -175.2 | -172.8 | 62.4 | 30.6 | 0 | 0 | 111.5 | L425 I426 S433 L606 I610 | L425-Q429 WeakPolarHBondContact O-CB 3.28Å; L425-Q429 PolarHBondContact O-N 3.13Å; I426-Q429 PolarHBondContact O-N 2.78Å; Q429-S433 PolarHBondContact NE2-OG 3.08Å; Q429-S433 VanDerWaalsContact O-CB 3.26Å; Q429-S433 WeakPolarHBondContact O-CB 3.47Å; Q429-S433 PolarHBondContact O-N 3.43Å; Q429-S433 PolarHBondContact O-OG 2.97Å; Q429-L606 HydrophobicContact CB-CD1 4.03Å; Q429-L606 HydrophobicContact CB-CD2 4.33Å; Q429-L606 HydrophobicContact CG-CD1 3.97Å; Q429-L606 HydrophobicContact CG-CD2 4.05Å; Q429-L606 HydrophobicContact CG-CG 4.14Å; Q429-I610 HydrophobicContact CG-CD1 3.46Å; Q429-I610 VanDerWaalsContact CG-CD1 3.46Å; Q429-I610 HydrophobicContact CG-CG1 4.18Å |
| 430 | F | 92.5 | Very high | 91.3 | Very high | 30 Ų | 30 | 29.4 Ų | 29.4 | 13% | 0.132 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.3 | -50.9 | 173.1 | -178.4 | -88.5 | 0 | 0 | 0 | 111.1 | I426 L428 N432 S433 F434 F438 F609 M617 V669 I672 | I426-F430 WeakPolarHBondContact O-CB 3.4Å; I426-F430 PolarHBondContact O-N 2.93Å; L428-F430 PolarHBondContact O-N 2.87Å; F430-N432 PolarHBondContact O-N 3.19Å; F430-S433 PolarHBondContact O-N 3.43Å; F430-F434 HydrophobicContact CD1-CD2 4.25Å; F430-F434 AromaticContact CD2-CD2 3.38Å; F430-F434 HydrophobicContact CD2-CD2 3.38Å; F430-F434 AromaticContact CD2-CE2 3.46Å; F430-F434 HydrophobicContact CD2-CE2 3.46Å; F430-F434 VanDerWaalsContact CD2-CE2 3.46Å; F430-F434 HydrophobicContact CE1-CD2 4.24Å; F430-F434 AromaticContact CE2-CD2 3.35Å; F430-F434 HydrophobicContact CE2-CD2 3.35Å; F430-F434 AromaticContact CE2-CE2 3.54Å; F430-F434 HydrophobicContact CE2-CE2 3.54Å; F430-F434 HydrophobicContact CE2-CG 4.32Å; F430-F434 AromaticContact CG-CD2 3.83Å; F430-F434 HydrophobicContact CG-CD2 3.83Å; F430-F434 HydrophobicContact CG-CE2 4.27Å; F430-F434 AromaticContact CZ-CD2 3.8Å; F430-F434 HydrophobicContact CZ-CD2 3.8Å; F430-F434 HydrophobicContact CZ-CE2 4.41Å; F430-F434 HydrophobicContact CZ-CG 4.43Å; F430-F434 WeakPolarHBondContact O-CD2 3.47Å; F430-F434 PolarHBondContact O-N 3.11Å; F430-F438 HydrophobicContact CE1-CE2 4.08Å; F430-F438 HydrophobicContact CZ-CE2 4.24Å; F430-F438 HydrophobicContact CZ-CZ 4.27Å; F430-F609 HydrophobicContact CD2-CE1 4.2Å; F430-F609 HydrophobicContact CD2-CZ 4.24Å; F430-M617 HydrophobicContact CE2-CE 3.67Å; F430-M617 HydrophobicContact CZ-CE 3.75Å; F430-M617 HydrophobicContact CZ-SD 4.45Å; F430-V669 HydrophobicContact CD2-CG2 4.15Å; F430-V669 HydrophobicContact CE2-CG2 3.86Å; F430-I672 HydrophobicContact CE1-CD1 4.26Å; F430-I672 HydrophobicContact CE2-CD1 4.45Å; F430-I672 HydrophobicContact CZ-CD1 3.88Å; F430-I672 HydrophobicContact CZ-CG2 4.21Å |
| 431 | V | 90.6 | Very high | 91.2 | Very high | 29 Ų | 29 | 26.2 Ų | 26.2 | 18% | 0.176 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 177.7 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L346 V349 I350 L427 L428 S433 F434 Y435 | L346-V431 HydrophobicContact CD2-CB 4.07Å; L346-V431 HydrophobicContact CD2-CG2 3.79Å; V349-V431 HydrophobicContact CG1-CG1 4.49Å; I350-V431 HydrophobicContact CD1-CG1 4.19Å; I350-V431 HydrophobicContact CG1-CG1 3.9Å; L427-V431 PolarHBondContact O-N 3.3Å; L428-V431 PolarHBondContact O-N 3.21Å; L428-V431 VanDerWaalsContact O-N 3.11Å; V431-S433 VanDerWaalsContact C-N 3.27Å; V431-S433 PolarHBondContact O-N 2.77Å; V431-F434 PolarHBondContact O-N 3.19Å; V431-Y435 WeakPolarHBondContact O-CB 3.45Å; V431-Y435 PolarHBondContact O-N 3.5Å |
| 432 | N | 85.4 | Confident | 91.1 | Very high | 32 Ų | 32 | 27.9 Ų | 27.9 | 17% | 0.171 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.5 | -40.1 | 178.8 | -169.2 | 30.3 | 0 | 0 | 0 | 112.2 | V349 D395 L428 F430 | V349-N432 HydrophobicContact CG1-CB 4.41Å; D395-N432 PolarHBondContact OD1-ND2 3.07Å; L428-N432 WeakPolarHBondContact O-CB 3.21Å; L428-N432 PolarHBondContact O-N 3.32Å; F430-N432 PolarHBondContact O-N 3.19Å |
| 433 | S | 87.2 | Confident | 90.9 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 11% | 0.112 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -78.4 | -38.3 | -176.2 | -54.1 | 0 | 0 | 0 | 0 | 113.2 | Q429 F430 V431 Y614 | Q429-S433 PolarHBondContact NE2-OG 3.08Å; Q429-S433 VanDerWaalsContact O-CB 3.26Å; Q429-S433 WeakPolarHBondContact O-CB 3.47Å; Q429-S433 PolarHBondContact O-N 3.43Å; Q429-S433 PolarHBondContact O-OG 2.97Å; F430-S433 PolarHBondContact O-N 3.43Å; V431-S433 VanDerWaalsContact C-N 3.27Å; V431-S433 PolarHBondContact O-N 2.77Å; S433-Y614 PolarHBondContact O-OH 3.22Å |
| 434 | F | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -106.7 | -19.3 | -170.4 | -61.1 | -66 | 0 | 0 | 0 | 114.8 | F430 V431 S436 L437 F438 I610 Y614 F618 | F430-F434 HydrophobicContact CD1-CD2 4.25Å; F430-F434 AromaticContact CD2-CD2 3.38Å; F430-F434 HydrophobicContact CD2-CD2 3.38Å; F430-F434 AromaticContact CD2-CE2 3.46Å; F430-F434 HydrophobicContact CD2-CE2 3.46Å; F430-F434 VanDerWaalsContact CD2-CE2 3.46Å; F430-F434 HydrophobicContact CE1-CD2 4.24Å; F430-F434 AromaticContact CE2-CD2 3.35Å; F430-F434 HydrophobicContact CE2-CD2 3.35Å; F430-F434 AromaticContact CE2-CE2 3.54Å; F430-F434 HydrophobicContact CE2-CE2 3.54Å; F430-F434 HydrophobicContact CE2-CG 4.32Å; F430-F434 AromaticContact CG-CD2 3.83Å; F430-F434 HydrophobicContact CG-CD2 3.83Å; F430-F434 HydrophobicContact CG-CE2 4.27Å; F430-F434 AromaticContact CZ-CD2 3.8Å; F430-F434 HydrophobicContact CZ-CD2 3.8Å; F430-F434 HydrophobicContact CZ-CE2 4.41Å; F430-F434 HydrophobicContact CZ-CG 4.43Å; F430-F434 WeakPolarHBondContact O-CD2 3.47Å; F430-F434 PolarHBondContact O-N 3.11Å; V431-F434 PolarHBondContact O-N 3.19Å; F434-S436 VanDerWaalsContact C-N 3.35Å; F434-S436 PolarHBondContact O-N 3.09Å; F434-L437 HydrophobicContact CD1-CD1 4.44Å; F434-L437 WeakPolarHBondContact O-CB 3.26Å; F434-L437 PolarHBondContact O-N 3.45Å; F434-F438 HydrophobicContact CB-CD2 4.16Å; F434-F438 HydrophobicContact CB-CE1 4.44Å; F434-F438 HydrophobicContact CB-CE2 3.66Å; F434-F438 HydrophobicContact CB-CZ 3.82Å; F434-F438 WeakPolarHBondContact O-CG 3.47Å; F434-F438 PolarHBondContact O-N 3.12Å; F434-I610 HydrophobicContact CZ-CG2 4.16Å; F434-I610 WeakPolarHBondContact CZ-O 3.26Å; F434-Y614 HydrophobicContact CD1-CD1 4.18Å; F434-Y614 AromaticContact CD1-CE1 3.87Å; F434-Y614 HydrophobicContact CD1-CE1 3.87Å; F434-Y614 AromaticContact CE1-CD1 3.56Å; F434-Y614 HydrophobicContact CE1-CD1 3.56Å; F434-Y614 HydrophobicContact CE1-CD2 4.37Å; F434-Y614 AromaticContact CE1-CE1 3.53Å; F434-Y614 HydrophobicContact CE1-CE1 3.53Å; F434-Y614 HydrophobicContact CE1-CE2 4.41Å; F434-Y614 AromaticContact CE1-CG 3.96Å; F434-Y614 HydrophobicContact CE1-CG 3.96Å; F434-Y614 AromaticContact CE1-CZ 3.97Å; F434-F618 AromaticContact CD1-CE2 3.82Å; F434-F618 HydrophobicContact CD1-CE2 3.82Å; F434-F618 HydrophobicContact CE1-CE2 4.22Å |
| 435 | Y | 89.8 | Confident | 90.4 | Very high | 45 Ų | 45 | 42.8 Ų | 42.8 | 18% | 0.176 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | -174 | 177.8 | -102.8 | 0 | 0 | 0 | 113 | I350 T353 V431 L437 F438 Y439 | I350-Y435 HydrophobicContact CB-CE1 4.27Å; I350-Y435 HydrophobicContact CB-CE2 4.32Å; I350-Y435 HydrophobicContact CD1-CD2 4.18Å; I350-Y435 HydrophobicContact CD1-CE2 4.12Å; I350-Y435 HydrophobicContact CG1-CD1 4.23Å; I350-Y435 HydrophobicContact CG1-CD2 3.77Å; I350-Y435 HydrophobicContact CG1-CE1 4.25Å; I350-Y435 HydrophobicContact CG1-CE2 3.78Å; I350-Y435 HydrophobicContact CG1-CG 4.02Å; I350-Y435 HydrophobicContact CG2-CE1 3.93Å; I350-Y435 HydrophobicContact CG2-CE2 3.83Å; I350-Y435 VanDerWaalsContact CG2-CZ 3.44Å; I350-Y435 WeakPolarHBondContact CG2-OH 3.48Å; T353-Y435 HydrophobicContact CG2-CD1 3.93Å; T353-Y435 HydrophobicContact CG2-CE1 4.09Å; V431-Y435 WeakPolarHBondContact O-CB 3.45Å; V431-Y435 PolarHBondContact O-N 3.5Å; Y435-L437 VanDerWaalsContact C-N 3.26Å; Y435-L437 PolarHBondContact O-N 3.06Å; Y435-F438 PolarHBondContact O-N 2.81Å; Y435-Y439 WeakPolarHBondContact O-CB 3.43Å; Y435-Y439 PolarHBondContact O-N 3.26Å |
| 436 | S | 86.1 | Confident | 90.2 | Very high | 52 Ų | 52 | 45.7 Ų | 45.7 | 36% | 0.364 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.6 | -37.4 | 177.1 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | F434 T440 | F434-S436 VanDerWaalsContact C-N 3.35Å; F434-S436 PolarHBondContact O-N 3.09Å; S436-T440 PolarHBondContact O-N 2.87Å; S436-T440 PolarHBondContact O-OG1 2.89Å |
| 437 | L | 91.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.4 | -40.3 | 176.5 | -60.9 | 176.7 | 0 | 0 | 0 | 111.5 | F434 Y435 Y439 T440 A441 L450 Q453 L454 L457 Y614 F618 | F434-L437 HydrophobicContact CD1-CD1 4.44Å; F434-L437 WeakPolarHBondContact O-CB 3.26Å; F434-L437 PolarHBondContact O-N 3.45Å; Y435-L437 VanDerWaalsContact C-N 3.26Å; Y435-L437 PolarHBondContact O-N 3.06Å; L437-Y439 VanDerWaalsContact C-N 3.35Å; L437-T440 PolarHBondContact O-N 3.36Å; L437-A441 WeakPolarHBondContact O-CB 2.94Å; L437-A441 PolarHBondContact O-N 2.83Å; L437-L450 HydrophobicContact CB-CD1 3.99Å; L437-L450 HydrophobicContact CD2-CD1 3.88Å; L437-Q453 HydrophobicContact CD2-CB 4.26Å; L437-L454 HydrophobicContact CD1-CD2 3.6Å; L437-L454 HydrophobicContact CD2-CD2 4.02Å; L437-L454 HydrophobicContact CD2-CG 4.12Å; L437-L454 HydrophobicContact CG-CD2 4.46Å; L437-L457 HydrophobicContact CD1-CD2 4.38Å; L437-Y614 HydrophobicContact CD1-CD1 4.08Å; L437-Y614 HydrophobicContact CD1-CE1 3.55Å; L437-F618 HydrophobicContact CB-CE1 4.2Å; L437-F618 HydrophobicContact CB-CZ 3.82Å; L437-F618 HydrophobicContact CD1-CD2 4.33Å; L437-F618 HydrophobicContact CD1-CE2 3.82Å; L437-F618 HydrophobicContact CD1-CZ 3.94Å |
| 438 | F | 93.2 | Very high | 89.6 | Confident | 39 Ų | 39 | 47 Ų | 47 | 17% | 0.171 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.9 | -38.2 | 174.5 | -65 | -26.3 | 0 | 0 | 0 | 112.3 | F430 F434 Y435 A441 F442 M617 F618 V676 | F430-F438 HydrophobicContact CE1-CE2 4.08Å; F430-F438 HydrophobicContact CZ-CE2 4.24Å; F430-F438 HydrophobicContact CZ-CZ 4.27Å; F434-F438 HydrophobicContact CB-CD2 4.16Å; F434-F438 HydrophobicContact CB-CE1 4.44Å; F434-F438 HydrophobicContact CB-CE2 3.66Å; F434-F438 HydrophobicContact CB-CZ 3.82Å; F434-F438 WeakPolarHBondContact O-CG 3.47Å; F434-F438 PolarHBondContact O-N 3.12Å; Y435-F438 PolarHBondContact O-N 2.81Å; F438-A441 PolarHBondContact O-N 3.39Å; F438-F442 HydrophobicContact CB-CD2 3.93Å; F438-F442 HydrophobicContact CB-CE2 4.16Å; F438-F442 HydrophobicContact CD1-CD2 4.31Å; F438-F442 AromaticContact CD1-CE2 3.67Å; F438-F442 HydrophobicContact CD1-CE2 3.67Å; F438-F442 HydrophobicContact CE1-CE2 4.4Å; F438-F442 HydrophobicContact CG-CD2 4.4Å; F438-F442 HydrophobicContact CG-CE2 4.14Å; F438-F442 WeakPolarHBondContact O-CB 3.5Å; F438-F442 VanDerWaalsContact O-CD2 3.27Å; F438-F442 WeakPolarHBondContact O-CD2 3.3Å; F438-F442 PolarHBondContact O-N 3.41Å; F438-M617 HydrophobicContact CE1-SD 4.17Å; F438-M617 HydrophobicContact CZ-SD 3.84Å; F438-F618 HydrophobicContact CD1-CZ 4.07Å; F438-F618 AromaticContact CE1-CZ 3.73Å; F438-F618 HydrophobicContact CE1-CZ 3.73Å; F438-V676 HydrophobicContact CE1-CG1 4.31Å; F438-V676 HydrophobicContact CE1-CG2 3.66Å; F438-V676 HydrophobicContact CZ-CG2 4.05Å |
| 439 | Y | 89.5 | Confident | 89.6 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 15% | 0.153 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -61 | -49.7 | 172.8 | 179.5 | -98.2 | 0 | 0 | 0 | 110.8 | L354 V357 Y435 L437 A441 Y443 L444 | L354-Y439 HydrophobicContact CD2-CD2 3.8Å; L354-Y439 HydrophobicContact CD2-CE2 3.49Å; L354-Y439 VanDerWaalsContact CD2-CE2 3.49Å; V357-Y439 HydrophobicContact CG1-CE1 4.36Å; Y435-Y439 WeakPolarHBondContact O-CB 3.43Å; Y435-Y439 PolarHBondContact O-N 3.26Å; L437-Y439 VanDerWaalsContact C-N 3.35Å; Y439-A441 VanDerWaalsContact C-N 3.34Å; Y439-A441 PolarHBondContact O-N 3.11Å; Y439-Y443 HydrophobicContact CD2-CD1 4.05Å; Y439-Y443 HydrophobicContact CD2-CG 4.04Å; Y439-Y443 HydrophobicContact CE1-CD1 4.2Å; Y439-Y443 AromaticContact CE2-CD1 3.29Å; Y439-Y443 HydrophobicContact CE2-CD1 3.29Å; Y439-Y443 HydrophobicContact CE2-CD2 4.42Å; Y439-Y443 AromaticContact CE2-CE1 3.83Å; Y439-Y443 HydrophobicContact CE2-CE1 3.83Å; Y439-Y443 AromaticContact CE2-CG 3.63Å; Y439-Y443 HydrophobicContact CE2-CG 3.63Å; Y439-Y443 AromaticContact CZ-CD1 3.39Å; Y439-Y443 AromaticContact CZ-CE1 3.77Å; Y439-Y443 WeakPolarHBondContact O-CA 3.43Å; Y439-Y443 WeakPolarHBondContact O-CB 3.45Å; Y439-Y443 PolarHBondContact O-N 2.87Å; Y439-Y443 WeakPolarHBondContact OH-CD1 3.36Å; Y439-Y443 VanDerWaalsContact OH-CE1 3.3Å; Y439-Y443 WeakPolarHBondContact OH-CE1 3.38Å; Y439-L444 HydrophobicContact CD1-CD1 4.33Å; Y439-L444 HydrophobicContact CD1-CG 4.36Å; Y439-L444 HydrophobicContact CE1-CD1 4Å; Y439-L444 HydrophobicContact CE1-CD2 4.27Å; Y439-L444 HydrophobicContact CE1-CG 3.96Å; Y439-L444 PolarHBondContact O-N 3.17Å; Y439-L444 VanDerWaalsContact O-N 3.1Å |
| 440 | T | 88.1 | Confident | 89.6 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -63 | -41.1 | 178.1 | -57.1 | 0 | 0 | 0 | 0 | 112 | S436 L437 L444 K445 D446 L449 L450 Q453 | S436-T440 PolarHBondContact O-N 2.87Å; S436-T440 PolarHBondContact O-OG1 2.89Å; L437-T440 PolarHBondContact O-N 3.36Å; T440-L444 WeakPolarHBondContact O-CB 3.43Å; T440-K445 PolarHBondContact O-N 3.44Å; T440-K445 VanDerWaalsContact O-N 3.16Å; T440-D446 PolarHBondContact O-N 3.25Å; T440-L449 HydrophobicContact CG2-CB 4.09Å; T440-L449 HydrophobicContact CG2-CD2 3.88Å; T440-L449 HydrophobicContact CG2-CG 3.77Å; T440-L450 HydrophobicContact CG2-CB 4.02Å; T440-L450 HydrophobicContact CG2-CD1 4.45Å; T440-Q453 PolarHBondContact OG1-NE2 2.99Å; T440-Q453 PolarHBondContact OG1-OE1 3.31Å |
| 441 | A | 90.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -69.3 | -51.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L437 F438 Y439 K445 L450 L680 I683 | L437-A441 WeakPolarHBondContact O-CB 2.94Å; L437-A441 PolarHBondContact O-N 2.83Å; F438-A441 PolarHBondContact O-N 3.39Å; Y439-A441 VanDerWaalsContact C-N 3.34Å; Y439-A441 PolarHBondContact O-N 3.11Å; A441-K445 VanDerWaalsContact O-CA 3.3Å; A441-K445 WeakPolarHBondContact O-CA 3.08Å; A441-L450 HydrophobicContact CB-CD1 4.38Å; A441-L450 HydrophobicContact CB-CD2 3.69Å; A441-L680 HydrophobicContact CB-CD2 3.96Å; A441-I683 WeakPolarHBondContact O-CD1 3.49Å |
| 442 | F | 92.5 | Very high | 89.5 | Confident | 69 Ų | 69 | 54.6 Ų | 54.6 | 30% | 0.303 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -100.3 | -32.2 | -166.3 | -58 | -59.3 | 0 | 0 | 0 | 113.6 | F438 V676 A679 I683 | F438-F442 HydrophobicContact CB-CD2 3.93Å; F438-F442 HydrophobicContact CB-CE2 4.16Å; F438-F442 HydrophobicContact CD1-CD2 4.31Å; F438-F442 AromaticContact CD1-CE2 3.67Å; F438-F442 HydrophobicContact CD1-CE2 3.67Å; F438-F442 HydrophobicContact CE1-CE2 4.4Å; F438-F442 HydrophobicContact CG-CD2 4.4Å; F438-F442 HydrophobicContact CG-CE2 4.14Å; F438-F442 WeakPolarHBondContact O-CB 3.5Å; F438-F442 VanDerWaalsContact O-CD2 3.27Å; F438-F442 WeakPolarHBondContact O-CD2 3.3Å; F438-F442 PolarHBondContact O-N 3.41Å; F442-V676 HydrophobicContact CZ-CG1 4.27Å; F442-V676 HydrophobicContact CZ-CG2 4.4Å; F442-A679 HydrophobicContact CD1-CB 4.36Å; F442-A679 HydrophobicContact CE1-CB 3.47Å; F442-A679 VanDerWaalsContact CE1-CB 3.47Å; F442-A679 HydrophobicContact CZ-CB 4.06Å; F442-I683 HydrophobicContact CD1-CD1 3.5Å; F442-I683 HydrophobicContact CE1-CD1 4.07Å |
| 443 | Y | 89.6 | Confident | 89.7 | Confident | 167 Ų | 167 | 55.7 Ų | 55.7 | 66% | 0.655 | 26% | 0.256 | S | S | * | . | I | π-helix | trans | -87.5 | -54.3 | 178.1 | -175.4 | -95.5 | 0 | 0 | 0 | 111.4 | Y439 | Y439-Y443 HydrophobicContact CD2-CD1 4.05Å; Y439-Y443 HydrophobicContact CD2-CG 4.04Å; Y439-Y443 HydrophobicContact CE1-CD1 4.2Å; Y439-Y443 AromaticContact CE2-CD1 3.29Å; Y439-Y443 HydrophobicContact CE2-CD1 3.29Å; Y439-Y443 HydrophobicContact CE2-CD2 4.42Å; Y439-Y443 AromaticContact CE2-CE1 3.83Å; Y439-Y443 HydrophobicContact CE2-CE1 3.83Å; Y439-Y443 AromaticContact CE2-CG 3.63Å; Y439-Y443 HydrophobicContact CE2-CG 3.63Å; Y439-Y443 AromaticContact CZ-CD1 3.39Å; Y439-Y443 AromaticContact CZ-CE1 3.77Å; Y439-Y443 WeakPolarHBondContact O-CA 3.43Å; Y439-Y443 WeakPolarHBondContact O-CB 3.45Å; Y439-Y443 PolarHBondContact O-N 2.87Å; Y439-Y443 WeakPolarHBondContact OH-CD1 3.36Å; Y439-Y443 VanDerWaalsContact OH-CE1 3.3Å; Y439-Y443 WeakPolarHBondContact OH-CE1 3.38Å |
| 444 | L | 88.2 | Confident | 89.9 | Confident | 77 Ų | 77 | 55 Ų | 55 | 40% | 0.403 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -77 | -26.7 | 178.7 | -61.1 | 179.7 | 0 | 0 | 0 | 113.1 | Y439 T440 D446 L449 | Y439-L444 HydrophobicContact CD1-CD1 4.33Å; Y439-L444 HydrophobicContact CD1-CG 4.36Å; Y439-L444 HydrophobicContact CE1-CD1 4Å; Y439-L444 HydrophobicContact CE1-CD2 4.27Å; Y439-L444 HydrophobicContact CE1-CG 3.96Å; Y439-L444 PolarHBondContact O-N 3.17Å; Y439-L444 VanDerWaalsContact O-N 3.1Å; T440-L444 WeakPolarHBondContact O-CB 3.43Å; L444-D446 PolarHBondContact O-N 3.49Å; L444-L449 HydrophobicContact CD1-CD2 4.01Å |
| 445 | K | 90.6 | Very high | 89.8 | Confident | 141 Ų | 141 | 57.2 Ų | 57.2 | 61% | 0.613 | 27% | 0.265 | S | S | * | . | trans | 58.1 | 26.9 | -178.5 | -57.8 | 179 | -177.5 | 175.4 | 0 | 113.9 | T440 A441 I683 | T440-K445 PolarHBondContact O-N 3.44Å; T440-K445 VanDerWaalsContact O-N 3.16Å; A441-K445 VanDerWaalsContact O-CA 3.3Å; A441-K445 WeakPolarHBondContact O-CA 3.08Å; K445-I683 HydrophobicContact CB-CG2 3.98Å; K445-I683 HydrophobicContact CG-CD1 4.45Å; K445-I683 HydrophobicContact CG-CG2 4.32Å | ||
| 446 | D | 88.7 | Confident | 89.7 | Confident | 70 Ų | 70 | 59.3 Ų | 59.3 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | trans | -102.7 | 99.1 | 178.6 | -173.4 | -15.1 | 0 | 0 | 0 | 110.7 | T440 L444 E448 L449 L450 | T440-D446 PolarHBondContact O-N 3.25Å; L444-D446 PolarHBondContact O-N 3.49Å; D446-E448 VanDerWaalsContact C-N 3.31Å; D446-E448 PolarHBondContact O-N 3.08Å; D446-E448 WeakPolarHBondContact OD1-CA 3.23Å; D446-E448 PolarHBondContact OD1-N 3.48Å; D446-L449 HydrophobicContact CB-CB 3.88Å; D446-L449 VanDerWaalsContact CG-CB 3.4Å; D446-L449 PolarHBondContact OD1-N 2.92Å; D446-L449 WeakPolarHBondContact OD2-CB 3.45Å; D446-L450 WeakPolarHBondContact O-CB 3.35Å; D446-L450 PolarHBondContact O-N 3.39Å | ||
| 447 | L | 87.3 | Confident | 89.8 | Confident | 29 Ų | 29 | 59.8 Ų | 59.8 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -70.3 | -25.9 | 178.9 | -62.8 | -177.2 | 0 | 0 | 0 | 113.2 | L450 R451 L680 I683 S684 | L447-L450 HydrophobicContact CD2-CD2 4.13Å; L447-R451 WeakPolarHBondContact O-CB 3.32Å; L447-R451 PolarHBondContact O-N 3.02Å; L447-L680 HydrophobicContact CD2-CD2 3.96Å; L447-I683 HydrophobicContact CD2-CG2 4.26Å; L447-I683 HydrophobicContact CG-CG2 4.42Å; L447-S684 VanDerWaalsContact CD1-CA 3.44Å; L447-S684 VanDerWaalsContact CD1-CB 3.48Å |
| 448 | E | 88 | Confident | 89.7 | Confident | 98 Ų | 98 | 60.5 Ų | 60.5 | 46% | 0.458 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -75.4 | -43.5 | 178.6 | -169.8 | -177 | 159.8 | 0 | 0 | 110.5 | D446 L450 R451 K452 | D446-E448 VanDerWaalsContact C-N 3.31Å; D446-E448 PolarHBondContact O-N 3.08Å; D446-E448 WeakPolarHBondContact OD1-CA 3.23Å; D446-E448 PolarHBondContact OD1-N 3.48Å; E448-L450 VanDerWaalsContact C-N 3.31Å; E448-R451 PolarHBondContact O-N 3.25Å; E448-K452 WeakPolarHBondContact O-CG 3.47Å; E448-K452 PolarHBondContact O-N 3.27Å; E448-K452 WeakPolarHBondContact OE1-CE 3.34Å; E448-K452 IonicContact OE1-NZ 2.73Å; E448-K452 PolarHBondContact OE1-NZ 2.88Å |
| 449 | L | 88.8 | Confident | 89.5 | Confident | 61 Ų | 61 | 62.4 Ų | 62.4 | 32% | 0.319 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 171.8 | -179.5 | 59.2 | 0 | 0 | 0 | 110.6 | T440 L444 D446 R451 K452 Q453 | T440-L449 HydrophobicContact CG2-CB 4.09Å; T440-L449 HydrophobicContact CG2-CD2 3.88Å; T440-L449 HydrophobicContact CG2-CG 3.77Å; L444-L449 HydrophobicContact CD1-CD2 4.01Å; D446-L449 HydrophobicContact CB-CB 3.88Å; D446-L449 VanDerWaalsContact CG-CB 3.4Å; D446-L449 PolarHBondContact OD1-N 2.92Å; D446-L449 WeakPolarHBondContact OD2-CB 3.45Å; L449-R451 VanDerWaalsContact C-N 3.34Å; L449-R451 PolarHBondContact O-N 2.94Å; L449-K452 PolarHBondContact O-N 3.38Å; L449-Q453 HydrophobicContact CD1-CG 4.28Å; L449-Q453 HydrophobicContact CG-CG 4.46Å; L449-Q453 WeakPolarHBondContact O-CB 3.39Å; L449-Q453 WeakPolarHBondContact O-CG 3.25Å; L449-Q453 PolarHBondContact O-N 2.63Å |
| 450 | L | 90.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.2 | -46.3 | 175.4 | -177.5 | 62 | 0 | 0 | 0 | 111.7 | L437 T440 A441 D446 L447 E448 Q453 L454 I621 L680 | L437-L450 HydrophobicContact CB-CD1 3.99Å; L437-L450 HydrophobicContact CD2-CD1 3.88Å; T440-L450 HydrophobicContact CG2-CB 4.02Å; T440-L450 HydrophobicContact CG2-CD1 4.45Å; A441-L450 HydrophobicContact CB-CD1 4.38Å; A441-L450 HydrophobicContact CB-CD2 3.69Å; D446-L450 WeakPolarHBondContact O-CB 3.35Å; D446-L450 PolarHBondContact O-N 3.39Å; L447-L450 HydrophobicContact CD2-CD2 4.13Å; E448-L450 VanDerWaalsContact C-N 3.31Å; L450-Q453 PolarHBondContact O-N 3.33Å; L450-L454 HydrophobicContact CD1-CD1 4.39Å; L450-L454 HydrophobicContact CG-CD1 4.1Å; L450-L454 WeakPolarHBondContact O-CB 3.26Å; L450-L454 VanDerWaalsContact O-CG 3.3Å; L450-L454 WeakPolarHBondContact O-CG 3.47Å; L450-L454 PolarHBondContact O-N 3.36Å; L450-I621 HydrophobicContact CD2-CD1 3.32Å; L450-I621 HydrophobicContact CD2-CG1 4.3Å; L450-I621 HydrophobicContact CG-CD1 4.1Å; L450-I621 HydrophobicContact CG-CG2 4.47Å; L450-L680 HydrophobicContact CD2-CD2 4.05Å |
| 451 | R | 91 | Very high | 89.1 | Confident | 95 Ų | 95 | 65.3 Ų | 65.3 | 36% | 0.358 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 175.9 | -175.3 | -178.6 | 63 | 169.5 | -1.8 | 111.9 | L447 E448 L449 L454 V455 I621 | L447-R451 WeakPolarHBondContact O-CB 3.32Å; L447-R451 PolarHBondContact O-N 3.02Å; E448-R451 PolarHBondContact O-N 3.25Å; L449-R451 VanDerWaalsContact C-N 3.34Å; L449-R451 PolarHBondContact O-N 2.94Å; R451-L454 PolarHBondContact O-N 3.39Å; R451-V455 VanDerWaalsContact O-CG2 3.27Å; R451-V455 WeakPolarHBondContact O-CG2 3.36Å; R451-V455 PolarHBondContact O-N 2.85Å; R451-I621 HydrophobicContact CB-CG2 3.69Å; R451-I621 HydrophobicContact CG-CG2 4.23Å |
| 452 | K | 89.6 | Confident | 88.9 | Confident | 111 Ų | 111 | 67 Ų | 67 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 178.9 | -74.1 | 173.4 | -175.8 | 162.6 | 0 | 111.7 | E448 L449 T456 | E448-K452 WeakPolarHBondContact O-CG 3.47Å; E448-K452 PolarHBondContact O-N 3.27Å; E448-K452 WeakPolarHBondContact OE1-CE 3.34Å; E448-K452 IonicContact OE1-NZ 2.73Å; E448-K452 PolarHBondContact OE1-NZ 2.88Å; L449-K452 PolarHBondContact O-N 3.38Å; K452-T456 WeakPolarHBondContact O-CB 3.29Å; K452-T456 PolarHBondContact O-N 2.98Å; K452-T456 PolarHBondContact O-OG1 3.32Å |
| 453 | Q | 89.9 | Confident | 88.6 | Confident | 54 Ų | 54 | 68.6 Ų | 68.6 | 25% | 0.252 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 174.8 | -74.8 | 178.7 | -1.5 | 0 | 0 | 111.4 | L437 T440 L449 L450 V455 T456 L457 | L437-Q453 HydrophobicContact CD2-CB 4.26Å; T440-Q453 PolarHBondContact OG1-NE2 2.99Å; T440-Q453 PolarHBondContact OG1-OE1 3.31Å; L449-Q453 HydrophobicContact CD1-CG 4.28Å; L449-Q453 HydrophobicContact CG-CG 4.46Å; L449-Q453 WeakPolarHBondContact O-CB 3.39Å; L449-Q453 WeakPolarHBondContact O-CG 3.25Å; L449-Q453 PolarHBondContact O-N 2.63Å; L450-Q453 PolarHBondContact O-N 3.33Å; Q453-V455 PolarHBondContact O-N 3.48Å; Q453-T456 PolarHBondContact O-N 3.02Å; Q453-L457 WeakPolarHBondContact O-CB 3.07Å; Q453-L457 PolarHBondContact O-N 3.43Å |
| 454 | L | 91.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.6 | -47.6 | 177.1 | -78 | 166.4 | 0 | 0 | 0 | 112.2 | L437 L450 R451 T456 L457 L458 Y614 F618 I621 F622 | L437-L454 HydrophobicContact CD1-CD2 3.6Å; L437-L454 HydrophobicContact CD2-CD2 4.02Å; L437-L454 HydrophobicContact CD2-CG 4.12Å; L437-L454 HydrophobicContact CG-CD2 4.46Å; L450-L454 HydrophobicContact CD1-CD1 4.39Å; L450-L454 HydrophobicContact CG-CD1 4.1Å; L450-L454 WeakPolarHBondContact O-CB 3.26Å; L450-L454 VanDerWaalsContact O-CG 3.3Å; L450-L454 WeakPolarHBondContact O-CG 3.47Å; L450-L454 PolarHBondContact O-N 3.36Å; R451-L454 PolarHBondContact O-N 3.39Å; L454-T456 VanDerWaalsContact C-N 3.35Å; L454-T456 PolarHBondContact O-N 3.31Å; L454-L457 PolarHBondContact O-N 2.86Å; L454-L458 VanDerWaalsContact O-CB 3.29Å; L454-L458 WeakPolarHBondContact O-CB 3.47Å; L454-L458 VanDerWaalsContact O-CG 3.31Å; L454-L458 WeakPolarHBondContact O-CG 3.34Å; L454-L458 PolarHBondContact O-N 3.36Å; L454-Y614 HydrophobicContact CD2-CD1 4.29Å; L454-F618 HydrophobicContact CD1-CB 3.79Å; L454-F618 HydrophobicContact CD1-CD1 4.06Å; L454-F618 HydrophobicContact CD1-CG 4.08Å; L454-F618 HydrophobicContact CD2-CB 3.99Å; L454-F618 HydrophobicContact CD2-CD1 4.41Å; L454-F618 HydrophobicContact CD2-CD2 4.16Å; L454-F618 HydrophobicContact CD2-CG 3.94Å; L454-I621 HydrophobicContact CD1-CB 4.13Å; L454-I621 HydrophobicContact CD1-CD1 4.46Å; L454-I621 HydrophobicContact CD1-CG2 3.83Å; L454-F622 HydrophobicContact CD1-CB 4.49Å |
| 455 | V | 90.9 | Very high | 88.1 | Confident | 48 Ų | 48 | 62.4 Ų | 62.4 | 29% | 0.291 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.5 | -49.7 | 177.2 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | R451 Q453 L459 F622 | R451-V455 VanDerWaalsContact O-CG2 3.27Å; R451-V455 WeakPolarHBondContact O-CG2 3.36Å; R451-V455 PolarHBondContact O-N 2.85Å; Q453-V455 PolarHBondContact O-N 3.48Å; V455-L459 HydrophobicContact CG1-CD1 3.73Å; V455-L459 HydrophobicContact CG1-CG 4.45Å; V455-L459 VanDerWaalsContact O-CB 3.26Å; V455-L459 WeakPolarHBondContact O-CB 3.26Å; V455-L459 WeakPolarHBondContact O-CG 3.39Å; V455-L459 PolarHBondContact O-N 3.17Å; V455-F622 HydrophobicContact CG2-CD2 3.63Å; V455-F622 HydrophobicContact CG2-CE2 3.57Å; V455-F622 HydrophobicContact CG2-CG 4.35Å; V455-F622 HydrophobicContact CG2-CZ 4.23Å |
| 456 | T | 87.7 | Confident | 87.7 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 54% | 0.54 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.5 | -49.3 | -179.6 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | K452 Q453 L454 L459 T460 | K452-T456 WeakPolarHBondContact O-CB 3.29Å; K452-T456 PolarHBondContact O-N 2.98Å; K452-T456 PolarHBondContact O-OG1 3.32Å; Q453-T456 PolarHBondContact O-N 3.02Å; L454-T456 VanDerWaalsContact C-N 3.35Å; L454-T456 PolarHBondContact O-N 3.31Å; T456-L459 PolarHBondContact O-N 2.64Å; T456-T460 HydrophobicContact CG2-CG2 4.47Å; T456-T460 WeakPolarHBondContact O-CB 3.23Å; T456-T460 VanDerWaalsContact O-CG2 3.29Å; T456-T460 WeakPolarHBondContact O-CG2 3.34Å; T456-T460 PolarHBondContact O-N 2.85Å; T456-T460 PolarHBondContact O-OG1 3.23Å |
| 457 | L | 88.2 | Confident | 87.5 | Confident | 62 Ų | 62 | 58 Ų | 58 | 33% | 0.325 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64 | -48.9 | -176.3 | -173.5 | 68.6 | 0 | 0 | 0 | 112 | L437 Q453 L454 T460 R461 Y614 | L437-L457 HydrophobicContact CD1-CD2 4.38Å; Q453-L457 WeakPolarHBondContact O-CB 3.07Å; Q453-L457 PolarHBondContact O-N 3.43Å; L454-L457 PolarHBondContact O-N 2.86Å; L457-T460 WeakPolarHBondContact CA-OG1 3.49Å; L457-T460 PolarHBondContact O-N 3.34Å; L457-T460 PolarHBondContact O-OG1 3.49Å; L457-R461 VanDerWaalsContact O-CB 3.24Å; L457-R461 WeakPolarHBondContact O-CB 3.19Å; L457-R461 PolarHBondContact O-N 3.09Å; L457-Y614 HydrophobicContact CD2-CE1 3.93Å; L457-Y614 WeakPolarHBondContact CD2-OH 3.39Å |
| 458 | L | 88.9 | Confident | 87.3 | Confident | 20 Ų | 20 | 61 Ų | 61 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 180 | -69.7 | 173.4 | 0 | 0 | 0 | 111.9 | L454 R461 Q462 Y614 F622 A625 L628 | L454-L458 VanDerWaalsContact O-CB 3.29Å; L454-L458 WeakPolarHBondContact O-CB 3.47Å; L454-L458 VanDerWaalsContact O-CG 3.31Å; L454-L458 WeakPolarHBondContact O-CG 3.34Å; L454-L458 PolarHBondContact O-N 3.36Å; L458-R461 PolarHBondContact O-N 3.05Å; L458-Q462 VanDerWaalsContact O-CB 3.28Å; L458-Q462 WeakPolarHBondContact O-CB 3.46Å; L458-Q462 PolarHBondContact O-N 2.79Å; L458-Y614 HydrophobicContact CD2-CD1 4.3Å; L458-Y614 HydrophobicContact CD2-CD2 3.71Å; L458-Y614 HydrophobicContact CD2-CE2 4.26Å; L458-Y614 HydrophobicContact CD2-CG 3.75Å; L458-F622 HydrophobicContact CD1-CD1 3.52Å; L458-F622 HydrophobicContact CD1-CE1 3.7Å; L458-A625 HydrophobicContact CD1-CB 4.3Å; L458-L628 HydrophobicContact CB-CD1 4.25Å |
| 459 | L | 88.2 | Confident | 87 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 41% | 0.414 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 173.9 | -71.8 | 174.8 | 0 | 0 | 0 | 111.5 | V455 T456 R461 Q462 I463 L628 | V455-L459 HydrophobicContact CG1-CD1 3.73Å; V455-L459 HydrophobicContact CG1-CG 4.45Å; V455-L459 VanDerWaalsContact O-CB 3.26Å; V455-L459 WeakPolarHBondContact O-CB 3.26Å; V455-L459 WeakPolarHBondContact O-CG 3.39Å; V455-L459 PolarHBondContact O-N 3.17Å; T456-L459 PolarHBondContact O-N 2.64Å; L459-R461 VanDerWaalsContact C-N 3.31Å; L459-R461 PolarHBondContact O-N 3.45Å; L459-Q462 PolarHBondContact O-N 3.05Å; L459-I463 VanDerWaalsContact O-CG1 3.3Å; L459-I463 WeakPolarHBondContact O-CG1 3.38Å; L459-I463 PolarHBondContact O-N 3.47Å; L459-I463 VanDerWaalsContact O-N 3.08Å; L459-L628 HydrophobicContact CD2-CD1 4.17Å |
| 460 | T | 83.9 | Confident | 86.4 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 39% | 0.387 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 176.6 | 51.1 | 0 | 0 | 0 | 0 | 111.7 | T456 L457 I463 I464 | T456-T460 HydrophobicContact CG2-CG2 4.47Å; T456-T460 WeakPolarHBondContact O-CB 3.23Å; T456-T460 VanDerWaalsContact O-CG2 3.29Å; T456-T460 WeakPolarHBondContact O-CG2 3.34Å; T456-T460 PolarHBondContact O-N 2.85Å; T456-T460 PolarHBondContact O-OG1 3.23Å; L457-T460 WeakPolarHBondContact CA-OG1 3.49Å; L457-T460 PolarHBondContact O-N 3.34Å; L457-T460 PolarHBondContact O-OG1 3.49Å; T460-I463 PolarHBondContact O-N 2.87Å; T460-I464 WeakPolarHBondContact O-CB 3.46Å; T460-I464 WeakPolarHBondContact O-CD1 3.46Å; T460-I464 WeakPolarHBondContact O-CG1 3.38Å; T460-I464 PolarHBondContact O-N 3.4Å |
| 461 | R | 85.6 | Confident | 85.6 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 15% | 0.147 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.1 | -48 | 178 | -178.6 | 170.4 | -166.8 | -83.1 | 13.5 | 111 | L457 L458 L459 I463 I464 D465 E607 | L457-R461 VanDerWaalsContact O-CB 3.24Å; L457-R461 WeakPolarHBondContact O-CB 3.19Å; L457-R461 PolarHBondContact O-N 3.09Å; L458-R461 PolarHBondContact O-N 3.05Å; L459-R461 VanDerWaalsContact C-N 3.31Å; L459-R461 PolarHBondContact O-N 3.45Å; R461-I463 VanDerWaalsContact C-N 3.25Å; R461-I463 PolarHBondContact O-N 3.09Å; R461-I464 PolarHBondContact O-N 2.89Å; R461-I464 VanDerWaalsContact O-N 3.09Å; R461-D465 WeakPolarHBondContact CG-OD2 3.39Å; R461-D465 IonicContact CZ-OD2 2.96Å; R461-D465 IonicContact NE-OD2 2.71Å; R461-D465 IonicContact NH1-OD2 3.76Å; R461-D465 PolarHBondContact NH1-OD2 3.17Å; R461-D465 WeakPolarHBondContact O-CB 3.31Å; R461-D465 PolarHBondContact O-N 3.35Å; R461-E607 PolarHBondContact NH2-O 2.87Å |
| 462 | Q | 86.8 | Confident | 84.9 | Confident | 35 Ų | 35 | 63.2 Ų | 63.2 | 16% | 0.164 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.9 | -39 | 175.9 | -176.9 | 59.9 | 69.7 | 0 | 0 | 113.1 | L458 L459 S466 L628 N632 | L458-Q462 VanDerWaalsContact O-CB 3.28Å; L458-Q462 WeakPolarHBondContact O-CB 3.46Å; L458-Q462 PolarHBondContact O-N 2.79Å; L459-Q462 PolarHBondContact O-N 3.05Å; Q462-S466 WeakPolarHBondContact O-CB 3.18Å; Q462-S466 PolarHBondContact O-N 3.4Å; Q462-L628 PolarHBondContact OE1-O 2.87Å; Q462-N632 PolarHBondContact NE2-OD1 3.34Å; Q462-N632 PolarHBondContact OE1-OD1 2.88Å |
| 463 | I | 86.7 | Confident | 84 | Confident | 102 Ų | 102 | 58.5 Ų | 58.5 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.9 | -45.3 | 176.8 | -67.3 | 166.1 | 0 | 0 | 0 | 110.6 | L459 T460 R461 S466 I467 | L459-I463 VanDerWaalsContact O-CG1 3.3Å; L459-I463 WeakPolarHBondContact O-CG1 3.38Å; L459-I463 PolarHBondContact O-N 3.47Å; L459-I463 VanDerWaalsContact O-N 3.08Å; T460-I463 PolarHBondContact O-N 2.87Å; R461-I463 VanDerWaalsContact C-N 3.25Å; R461-I463 PolarHBondContact O-N 3.09Å; I463-S466 PolarHBondContact O-N 2.84Å; I463-I467 HydrophobicContact CG2-CD1 3.91Å; I463-I467 VanDerWaalsContact O-CG1 3.29Å; I463-I467 WeakPolarHBondContact O-CG1 3.4Å; I463-I467 PolarHBondContact O-N 2.96Å |
| 464 | I | 85.4 | Confident | 83.1 | Confident | 104 Ų | 104 | 58.4 Ų | 58.4 | 53% | 0.533 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 179.1 | -69.8 | 164 | 0 | 0 | 0 | 110.4 | T460 R461 I467 R468 | T460-I464 WeakPolarHBondContact O-CB 3.46Å; T460-I464 WeakPolarHBondContact O-CD1 3.46Å; T460-I464 WeakPolarHBondContact O-CG1 3.38Å; T460-I464 PolarHBondContact O-N 3.4Å; R461-I464 PolarHBondContact O-N 2.89Å; R461-I464 VanDerWaalsContact O-N 3.09Å; I464-I467 PolarHBondContact O-N 3.5Å; I464-R468 VanDerWaalsContact O-CB 3.27Å; I464-R468 WeakPolarHBondContact O-CB 3.4Å; I464-R468 PolarHBondContact O-N 3.34Å |
| 465 | D | 82.9 | Confident | 82.1 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.053 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 179.9 | -61.3 | -9.2 | 0 | 0 | 0 | 109.8 | R461 I467 R468 E469 | R461-D465 WeakPolarHBondContact CG-OD2 3.39Å; R461-D465 IonicContact CZ-OD2 2.96Å; R461-D465 IonicContact NE-OD2 2.71Å; R461-D465 IonicContact NH1-OD2 3.76Å; R461-D465 PolarHBondContact NH1-OD2 3.17Å; R461-D465 WeakPolarHBondContact O-CB 3.31Å; R461-D465 PolarHBondContact O-N 3.35Å; D465-I467 VanDerWaalsContact C-N 3.33Å; D465-I467 PolarHBondContact O-N 2.92Å; D465-R468 PolarHBondContact O-N 2.87Å; D465-R468 VanDerWaalsContact O-N 3.15Å; D465-E469 PolarHBondContact O-N 3.47Å |
| 466 | S | 82.2 | Confident | 81.2 | Confident | 35 Ų | 35 | 61.9 Ų | 61.9 | 25% | 0.245 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 174.4 | -176.5 | 0 | 0 | 0 | 0 | 112.9 | Q462 I463 T470 | Q462-S466 WeakPolarHBondContact O-CB 3.18Å; Q462-S466 PolarHBondContact O-N 3.4Å; I463-S466 PolarHBondContact O-N 2.84Å; S466-T470 WeakPolarHBondContact O-CB 3.28Å; S466-T470 PolarHBondContact O-N 3Å; S466-T470 PolarHBondContact O-OG1 3.23Å |
| 467 | I | 84.2 | Confident | 80.2 | Confident | 84 Ų | 84 | 58.4 Ų | 58.4 | 43% | 0.431 | 30% | 0.303 | S | S | . | . | I | π-helix | trans | -67.7 | -45.2 | 175.1 | -68.6 | 168.2 | 0 | 0 | 0 | 110.9 | I463 I464 D465 F471 L472 | I463-I467 HydrophobicContact CG2-CD1 3.91Å; I463-I467 VanDerWaalsContact O-CG1 3.29Å; I463-I467 WeakPolarHBondContact O-CG1 3.4Å; I463-I467 PolarHBondContact O-N 2.96Å; I464-I467 PolarHBondContact O-N 3.5Å; D465-I467 VanDerWaalsContact C-N 3.33Å; D465-I467 PolarHBondContact O-N 2.92Å; I467-F471 HydrophobicContact CG2-CB 4.41Å; I467-F471 WeakPolarHBondContact O-CA 3.46Å; I467-F471 WeakPolarHBondContact O-CB 3.32Å; I467-F471 PolarHBondContact O-N 3.3Å; I467-L472 PolarHBondContact O-N 2.81Å; I467-L472 VanDerWaalsContact O-N 3.13Å |
| 468 | R | 82.5 | Confident | 79.5 | Confident | 91 Ų | 91 | 60.8 Ų | 60.8 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -60.1 | -48.2 | -178.8 | -177.3 | -174.8 | 176.5 | -166.6 | -10.9 | 111.1 | I464 D465 L472 P473 E607 | I464-R468 VanDerWaalsContact O-CB 3.27Å; I464-R468 WeakPolarHBondContact O-CB 3.4Å; I464-R468 PolarHBondContact O-N 3.34Å; D465-R468 PolarHBondContact O-N 2.87Å; D465-R468 VanDerWaalsContact O-N 3.15Å; R468-L472 HydrophobicContact CB-CD1 4.17Å; R468-L472 HydrophobicContact CG-CD1 3.95Å; R468-L472 VanDerWaalsContact O-CB 3.27Å; R468-L472 WeakPolarHBondContact O-CB 3.39Å; R468-P473 WeakPolarHBondContact O-CD 3.3Å; R468-E607 IonicContact CZ-OE2 3.61Å; R468-E607 IonicContact NH1-OE2 3.92Å; R468-E607 PolarHBondContact NH1-OE2 2.88Å; R468-E607 IonicContact NH2-OE2 2.68Å |
| 469 | E | 81.5 | Confident | 78.8 | Confident | 7 Ų | 7 | 65.3 Ų | 65.3 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -87.4 | -29.6 | -173 | -64.8 | -53.7 | 135.6 | 0 | 0 | 113.5 | D465 P473 E636 K643 | D465-E469 PolarHBondContact O-N 3.47Å; E469-P473 WeakPolarHBondContact O-CD 3.47Å; E469-P473 WeakPolarHBondContact O-CG 3.17Å; E469-E636 WeakPolarHBondContact CG-OE2 2.93Å; E469-K643 IonicContact OE1-NZ 3.84Å; E469-K643 PolarHBondContact OE1-NZ 3.1Å; E469-K643 IonicContact OE2-NZ 3.7Å; E469-K643 PolarHBondContact OE2-NZ 3.38Å |
| 470 | T | 75.7 | Confident | 78 | Confident | 52 Ų | 52 | 65.2 Ų | 65.2 | 32% | 0.319 | 33% | 0.325 | S | S | . | . | I | π-helix | trans | -88.3 | -52.4 | 178 | -49.6 | 0 | 0 | 0 | 0 | 111.4 | S466 L474 | S466-T470 WeakPolarHBondContact O-CB 3.28Å; S466-T470 PolarHBondContact O-N 3Å; S466-T470 PolarHBondContact O-OG1 3.23Å; T470-L474 WeakPolarHBondContact O-CB 3.18Å; T470-L474 WeakPolarHBondContact O-CD1 3.37Å; T470-L474 VanDerWaalsContact O-CG 3.3Å; T470-L474 WeakPolarHBondContact O-CG 3.29Å |
| 471 | F | 74.8 | Confident | 77.5 | Confident | 140 Ų | 140 | 63.3 Ų | 63.3 | 61% | 0.614 | 31% | 0.312 | S | S | * | . | I | π-helix | trans | -91.3 | -37.8 | -167.5 | -69.8 | -88.6 | 0 | 0 | 0 | 113.4 | I467 G475 | I467-F471 HydrophobicContact CG2-CB 4.41Å; I467-F471 WeakPolarHBondContact O-CA 3.46Å; I467-F471 WeakPolarHBondContact O-CB 3.32Å; I467-F471 PolarHBondContact O-N 3.3Å; F471-G475 WeakPolarHBondContact O-CA 3.26Å; F471-G475 PolarHBondContact O-N 3.37Å |
| 472 | L | 76.6 | Confident | 76.8 | Confident | 102 Ų | 102 | 62.3 Ų | 62.3 | 53% | 0.534 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.4 | -50.1 | -178.4 | -62 | 178 | 0 | 0 | 0 | 113.3 | I467 R468 L474 G475 H476 | I467-L472 PolarHBondContact O-N 2.81Å; I467-L472 VanDerWaalsContact O-N 3.13Å; R468-L472 HydrophobicContact CB-CD1 4.17Å; R468-L472 HydrophobicContact CG-CD1 3.95Å; R468-L472 VanDerWaalsContact O-CB 3.27Å; R468-L472 WeakPolarHBondContact O-CB 3.39Å; L472-L474 PolarHBondContact O-N 2.81Å; L472-G475 PolarHBondContact O-N 3.41Å; L472-H476 WeakPolarHBondContact O-CA 3.24Å; L472-H476 WeakPolarHBondContact O-CB 3.4Å; L472-H476 PolarHBondContact O-N 3.43Å |
| 473 | P | 70.8 | Confident | 76.3 | Confident | 12 Ų | 12 | 67.4 Ų | 67.4 | 8% | 0.078 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.8 | -41.5 | -179.1 | 22.5 | -31.7 | 0 | 0 | 0 | 111.3 | R468 E469 S477 | R468-P473 WeakPolarHBondContact O-CD 3.3Å; E469-P473 WeakPolarHBondContact O-CD 3.47Å; E469-P473 WeakPolarHBondContact O-CG 3.17Å; P473-S477 WeakPolarHBondContact O-CB 3.38Å; P473-S477 PolarHBondContact O-N 3.25Å; P473-S477 PolarHBondContact O-OG 3.32Å |
| 474 | L | 70.8 | Confident | 75.7 | Confident | 52 Ų | 52 | 63.8 Ų | 63.8 | 27% | 0.272 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 176 | -71.2 | 176.3 | 0 | 0 | 0 | 112.3 | T470 L472 S477 R478 Y642 | T470-L474 WeakPolarHBondContact O-CB 3.18Å; T470-L474 WeakPolarHBondContact O-CD1 3.37Å; T470-L474 VanDerWaalsContact O-CG 3.3Å; T470-L474 WeakPolarHBondContact O-CG 3.29Å; L472-L474 PolarHBondContact O-N 2.81Å; L474-S477 PolarHBondContact O-OG 2.98Å; L474-R478 VanDerWaalsContact O-CB 3.29Å; L474-R478 WeakPolarHBondContact O-CB 3.36Å; L474-R478 WeakPolarHBondContact O-CG 3.37Å; L474-R478 PolarHBondContact O-N 2.72Å; L474-R478 VanDerWaalsContact O-N 3.15Å; L474-Y642 HydrophobicContact CD2-CD1 4.25Å; L474-Y642 HydrophobicContact CD2-CE1 3.28Å; L474-Y642 HydrophobicContact CD2-CE2 4.35Å; L474-Y642 WeakPolarHBondContact CD2-OH 3.16Å; L474-Y642 HydrophobicContact CG-CE1 4.02Å |
| 475 | G | 69.4 | Low | 75.1 | Confident | 29 Ų | 29 | 59 Ų | 59 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.3 | -51.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F471 L472 R478 L479 | F471-G475 WeakPolarHBondContact O-CA 3.26Å; F471-G475 PolarHBondContact O-N 3.37Å; L472-G475 PolarHBondContact O-N 3.41Å; G475-R478 PolarHBondContact O-N 3.11Å; G475-L479 VanDerWaalsContact O-CB 3.26Å; G475-L479 WeakPolarHBondContact O-CB 3.48Å; G475-L479 VanDerWaalsContact O-CG 3.26Å; G475-L479 WeakPolarHBondContact O-CG 3.47Å; G475-L479 PolarHBondContact O-N 2.98Å |
| 476 | H | 71.7 | Confident | 74.8 | Confident | 94 Ų | 94 | 62 Ų | 62 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.8 | -47.8 | 178.5 | -179.2 | -106.7 | 0 | 0 | 0 | 111.2 | L472 R478 L479 R480 | L472-H476 WeakPolarHBondContact O-CA 3.24Å; L472-H476 WeakPolarHBondContact O-CB 3.4Å; L472-H476 PolarHBondContact O-N 3.43Å; H476-R478 PolarHBondContact O-N 2.87Å; H476-L479 PolarHBondContact O-N 3.47Å; H476-R480 WeakPolarHBondContact O-CB 3.38Å; H476-R480 PolarHBondContact O-N 3.32Å |
| 477 | S | 68.2 | Low | 74.5 | Confident | 15 Ų | 15 | 63.9 Ų | 63.9 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 178 | 63 | 0 | 0 | 0 | 0 | 112.1 | P473 L474 Q481 | P473-S477 WeakPolarHBondContact O-CB 3.38Å; P473-S477 PolarHBondContact O-N 3.25Å; P473-S477 PolarHBondContact O-OG 3.32Å; L474-S477 PolarHBondContact O-OG 2.98Å; S477-Q481 VanDerWaalsContact O-CB 3.31Å; S477-Q481 WeakPolarHBondContact O-CB 3.42Å; S477-Q481 WeakPolarHBondContact O-CG 3.22Å; S477-Q481 PolarHBondContact O-N 2.95Å |
| 478 | R | 72.3 | Confident | 73.9 | Confident | 112 Ų | 112 | 61 Ų | 61 | 42% | 0.423 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69 | -48.2 | 177.6 | -74.3 | -179.9 | -178.4 | -177.3 | 2.7 | 112.5 | T29 L474 G475 H476 R480 Q481 V482 | T29-R478 HydrophobicContact CG2-CB 4.19Å; T29-R478 HydrophobicContact CG2-CG 4.32Å; L474-R478 VanDerWaalsContact O-CB 3.29Å; L474-R478 WeakPolarHBondContact O-CB 3.36Å; L474-R478 WeakPolarHBondContact O-CG 3.37Å; L474-R478 PolarHBondContact O-N 2.72Å; L474-R478 VanDerWaalsContact O-N 3.15Å; G475-R478 PolarHBondContact O-N 3.11Å; H476-R478 PolarHBondContact O-N 2.87Å; R478-R480 VanDerWaalsContact C-N 3.31Å; R478-R480 PolarHBondContact O-N 2.69Å; R478-Q481 PolarHBondContact O-N 3.46Å; R478-V482 WeakPolarHBondContact O-CG2 3.16Å; R478-V482 PolarHBondContact O-N 3.34Å |
| 479 | L | 74.5 | Confident | 73.6 | Confident | 114 Ų | 114 | 59.4 Ų | 59.4 | 60% | 0.597 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.9 | -41.6 | 178.1 | -73.5 | 172.6 | 0 | 0 | 0 | 111 | G475 H476 V482 W483 | G475-L479 VanDerWaalsContact O-CB 3.26Å; G475-L479 WeakPolarHBondContact O-CB 3.48Å; G475-L479 VanDerWaalsContact O-CG 3.26Å; G475-L479 WeakPolarHBondContact O-CG 3.47Å; G475-L479 PolarHBondContact O-N 2.98Å; H476-L479 PolarHBondContact O-N 3.47Å; L479-V482 PolarHBondContact O-N 3.38Å; L479-W483 WeakPolarHBondContact O-CB 3.33Å; L479-W483 PolarHBondContact O-N 2.89Å |
| 480 | R | 72.6 | Confident | 73.4 | Confident | 77 Ų | 77 | 65.3 Ų | 65.3 | 29% | 0.291 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 175.5 | -170.5 | 176.6 | -170.3 | -173.7 | 4.5 | 111.8 | H476 R478 V482 W483 L484 T594 | H476-R480 WeakPolarHBondContact O-CB 3.38Å; H476-R480 PolarHBondContact O-N 3.32Å; R478-R480 VanDerWaalsContact C-N 3.31Å; R478-R480 PolarHBondContact O-N 2.69Å; R480-V482 VanDerWaalsContact C-N 3.33Å; R480-V482 PolarHBondContact O-N 3.42Å; R480-W483 PolarHBondContact O-N 3.02Å; R480-L484 HydrophobicContact CG-CD1 4.24Å; R480-L484 WeakPolarHBondContact O-CB 2.98Å; R480-L484 VanDerWaalsContact O-CG 3.29Å; R480-L484 WeakPolarHBondContact O-CG 3.39Å; R480-L484 PolarHBondContact O-N 2.97Å; R480-T594 PolarHBondContact NH1-O 3.28Å; R480-T594 PolarHBondContact NH2-O 2.91Å |
| 481 | Q | 72.2 | Confident | 73.4 | Confident | 24 Ų | 24 | 67.5 Ų | 67.5 | 11% | 0.112 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 173.1 | -77.6 | 167.7 | 19.3 | 0 | 0 | 111.8 | T29 S477 R478 S485 | T29-Q481 HydrophobicContact CG2-CB 3.99Å; S477-Q481 VanDerWaalsContact O-CB 3.31Å; S477-Q481 WeakPolarHBondContact O-CB 3.42Å; S477-Q481 WeakPolarHBondContact O-CG 3.22Å; S477-Q481 PolarHBondContact O-N 2.95Å; R478-Q481 PolarHBondContact O-N 3.46Å; Q481-S485 WeakPolarHBondContact O-CB 3Å; Q481-S485 PolarHBondContact O-N 3.14Å; Q481-S485 PolarHBondContact O-OG 3.44Å |
| 482 | V | 72 | Confident | 73.4 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 173.7 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | V25 R28 T29 R478 L479 R480 L484 S485 L486 | V25-V482 HydrophobicContact CB-CG2 4.24Å; V25-V482 HydrophobicContact CG1-CG2 3.87Å; V25-V482 HydrophobicContact CG2-CG2 4.29Å; R28-V482 HydrophobicContact CB-CG2 4.22Å; T29-V482 HydrophobicContact CG2-CG2 3.86Å; R478-V482 WeakPolarHBondContact O-CG2 3.16Å; R478-V482 PolarHBondContact O-N 3.34Å; L479-V482 PolarHBondContact O-N 3.38Å; R480-V482 VanDerWaalsContact C-N 3.33Å; R480-V482 PolarHBondContact O-N 3.42Å; V482-L484 PolarHBondContact O-N 2.96Å; V482-S485 WeakPolarHBondContact CA-OG 3.26Å; V482-S485 PolarHBondContact O-N 2.58Å; V482-S485 VanDerWaalsContact O-N 3.17Å; V482-S485 PolarHBondContact O-OG 3.36Å; V482-L486 HydrophobicContact CG1-CD1 4.11Å; V482-L486 HydrophobicContact CG1-CG 4.43Å; V482-L486 WeakPolarHBondContact O-CG 3.48Å; V482-L486 PolarHBondContact O-N 2.76Å |
| 483 | W | 75.8 | Confident | 73.4 | Confident | 143 Ų | 143 | 62.9 Ų | 62.9 | 54% | 0.542 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 179.3 | -177 | 83.3 | 0 | 0 | 0 | 112.3 | L479 R480 S485 L486 K487 | L479-W483 WeakPolarHBondContact O-CB 3.33Å; L479-W483 PolarHBondContact O-N 2.89Å; R480-W483 PolarHBondContact O-N 3.02Å; W483-S485 VanDerWaalsContact C-N 3.34Å; W483-L486 PolarHBondContact O-N 2.87Å; W483-K487 HydrophobicContact CH2-CD 3.69Å; W483-K487 HydrophobicContact CZ2-CD 4.14Å; W483-K487 HydrophobicContact CZ3-CD 3.91Å; W483-K487 WeakPolarHBondContact O-CB 3.49Å; W483-K487 PolarHBondContact O-N 3.03Å |
| 484 | L | 73.8 | Confident | 73.8 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 13% | 0.131 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 174.3 | -71.9 | 171.1 | 0 | 0 | 0 | 111.5 | W32 R480 V482 L486 K487 Y488 T594 | W32-L484 HydrophobicContact CH2-CB 3.77Å; W32-L484 HydrophobicContact CZ2-CB 3.72Å; W32-L484 HydrophobicContact CZ2-CD1 4.15Å; W32-L484 HydrophobicContact CZ2-CG 4.47Å; W32-L484 HydrophobicContact CZ3-CB 4.25Å; R480-L484 HydrophobicContact CG-CD1 4.24Å; R480-L484 WeakPolarHBondContact O-CB 2.98Å; R480-L484 VanDerWaalsContact O-CG 3.29Å; R480-L484 WeakPolarHBondContact O-CG 3.39Å; R480-L484 PolarHBondContact O-N 2.97Å; V482-L484 PolarHBondContact O-N 2.96Å; L484-L486 VanDerWaalsContact C-N 3.33Å; L484-L486 PolarHBondContact O-N 3.37Å; L484-K487 PolarHBondContact O-N 2.88Å; L484-Y488 VanDerWaalsContact O-CB 3.28Å; L484-Y488 WeakPolarHBondContact O-CB 3.36Å; L484-Y488 PolarHBondContact O-N 3.43Å; L484-T594 HydrophobicContact CD1-CG2 4.2Å |
| 485 | S | 72.5 | Confident | 74.1 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 3% | 0.028 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 175.6 | 76.1 | 0 | 0 | 0 | 0 | 112.3 | Q481 V482 W483 Y488 E489 | Q481-S485 WeakPolarHBondContact O-CB 3Å; Q481-S485 PolarHBondContact O-N 3.14Å; Q481-S485 PolarHBondContact O-OG 3.44Å; V482-S485 WeakPolarHBondContact CA-OG 3.26Å; V482-S485 PolarHBondContact O-N 2.58Å; V482-S485 VanDerWaalsContact O-N 3.17Å; V482-S485 PolarHBondContact O-OG 3.36Å; W483-S485 VanDerWaalsContact C-N 3.34Å; S485-Y488 PolarHBondContact O-N 3.49Å; S485-E489 WeakPolarHBondContact O-CG 3.37Å; S485-E489 PolarHBondContact O-N 3.43Å |
| 486 | L | 76.3 | Confident | 74.4 | Confident | 72 Ų | 72 | 74.6 Ų | 74.6 | 38% | 0.377 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 175.9 | -70.2 | 173.1 | 0 | 0 | 0 | 111.3 | V482 W483 L484 Y488 E489 Q490 | V482-L486 HydrophobicContact CG1-CD1 4.11Å; V482-L486 HydrophobicContact CG1-CG 4.43Å; V482-L486 WeakPolarHBondContact O-CG 3.48Å; V482-L486 PolarHBondContact O-N 2.76Å; W483-L486 PolarHBondContact O-N 2.87Å; L484-L486 VanDerWaalsContact C-N 3.33Å; L484-L486 PolarHBondContact O-N 3.37Å; L486-Y488 VanDerWaalsContact C-N 3.28Å; L486-Y488 PolarHBondContact O-N 2.76Å; L486-E489 PolarHBondContact O-N 3.27Å; L486-Q490 WeakPolarHBondContact O-CB 3.26Å; L486-Q490 PolarHBondContact O-N 3.4Å |
| 487 | K | 76.7 | Confident | 74.7 | Confident | 76 Ų | 76 | 74.7 Ų | 74.7 | 33% | 0.33 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 177.5 | -171.5 | 176.7 | -177.4 | 178.7 | 0 | 111.6 | W483 L484 R491 | W483-K487 HydrophobicContact CH2-CD 3.69Å; W483-K487 HydrophobicContact CZ2-CD 4.14Å; W483-K487 HydrophobicContact CZ3-CD 3.91Å; W483-K487 WeakPolarHBondContact O-CB 3.49Å; W483-K487 PolarHBondContact O-N 3.03Å; L484-K487 PolarHBondContact O-N 2.88Å; K487-R491 VanDerWaalsContact O-CG 3.3Å; K487-R491 WeakPolarHBondContact O-CG 3.27Å; K487-R491 PolarHBondContact O-N 3.38Å |
| 488 | Y | 72.4 | Confident | 75.1 | Confident | 23 Ų | 23 | 80.3 Ų | 80.3 | 9% | 0.09 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.4 | -50.2 | 174.7 | -179.7 | -94.6 | 0 | 0 | 0 | 111.8 | W32 T81 L484 S485 L486 Q490 R491 C492 T584 I586 | W32-Y488 HydrophobicContact CZ3-CD2 4.44Å; W32-Y488 HydrophobicContact CZ3-CG 4.02Å; T81-Y488 HydrophobicContact CG2-CD2 3.67Å; T81-Y488 HydrophobicContact CG2-CE2 4.3Å; L484-Y488 VanDerWaalsContact O-CB 3.28Å; L484-Y488 WeakPolarHBondContact O-CB 3.36Å; L484-Y488 PolarHBondContact O-N 3.43Å; S485-Y488 PolarHBondContact O-N 3.49Å; L486-Y488 VanDerWaalsContact C-N 3.28Å; L486-Y488 PolarHBondContact O-N 2.76Å; Y488-Q490 VanDerWaalsContact C-N 3.29Å; Y488-Q490 PolarHBondContact O-N 3.49Å; Y488-R491 WeakPolarHBondContact O-CB 3.29Å; Y488-R491 PolarHBondContact O-N 2.98Å; Y488-C492 WeakPolarHBondContact CE1-SG 3.42Å; Y488-C492 VanDerWaalsContact CZ-SG 3.52Å; Y488-C492 PolarHBondContact O-N 3.37Å; Y488-C492 PolarHBondContact O-SG 2.7Å; Y488-C492 VanDerWaalsContact O-SG 3.4Å; Y488-T584 VanDerWaalsContact OH-C 3.26Å; Y488-T584 VanDerWaalsContact OH-CA 3.25Å; Y488-T584 WeakPolarHBondContact OH-CA 3.36Å; Y488-T584 PolarHBondContact OH-O 3.25Å; Y488-T584 VanDerWaalsContact OH-O 3.05Å; Y488-I586 HydrophobicContact CD2-CD1 4.04Å; Y488-I586 HydrophobicContact CD2-CG1 4.5Å; Y488-I586 HydrophobicContact CE2-CD1 4.19Å; Y488-I586 HydrophobicContact CE2-CG1 4.17Å; Y488-I586 HydrophobicContact CG-CD1 4.49Å |
| 489 | E | 74.7 | Confident | 75.3 | Confident | 57 Ų | 57 | 79.6 Ų | 79.6 | 27% | 0.266 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57 | -43.6 | 175.9 | -76.6 | 179.3 | 169.1 | 0 | 0 | 111.5 | K31 S485 L486 R491 C492 L493 | K31-E489 IonicContact NZ-OE1 3.92Å; K31-E489 PolarHBondContact NZ-OE1 3.42Å; S485-E489 WeakPolarHBondContact O-CG 3.37Å; S485-E489 PolarHBondContact O-N 3.43Å; L486-E489 PolarHBondContact O-N 3.27Å; E489-R491 VanDerWaalsContact C-N 3.32Å; E489-R491 PolarHBondContact O-N 3.47Å; E489-C492 PolarHBondContact O-N 3.5Å; E489-L493 WeakPolarHBondContact O-CB 3.39Å; E489-L493 VanDerWaalsContact O-CG 3.27Å; E489-L493 WeakPolarHBondContact O-CG 3.36Å; E489-L493 PolarHBondContact O-N 3.14Å |
| 490 | Q | 78.2 | Confident | 75.3 | Confident | 132 Ų | 132 | 79.4 Ų | 79.4 | 62% | 0.617 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61 | -39.9 | 175.9 | -170.9 | 175.5 | 1.2 | 0 | 0 | 112 | L486 Y488 L493 V494 | L486-Q490 WeakPolarHBondContact O-CB 3.26Å; L486-Q490 PolarHBondContact O-N 3.4Å; Y488-Q490 VanDerWaalsContact C-N 3.29Å; Y488-Q490 PolarHBondContact O-N 3.49Å; Q490-L493 PolarHBondContact O-N 3.19Å; Q490-V494 WeakPolarHBondContact O-CG2 3.36Å; Q490-V494 PolarHBondContact O-N 3.43Å |
| 491 | R | 74.7 | Confident | 75.1 | Confident | 98 Ų | 98 | 78.4 Ų | 78.4 | 37% | 0.37 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67.2 | -45.8 | 175.9 | -77.8 | 171.7 | 170.7 | -178.3 | -15.1 | 112.5 | T81 K487 Y488 E489 L493 V494 E495 | T81-R491 PolarHBondContact O-NH1 3.39Å; K487-R491 VanDerWaalsContact O-CG 3.3Å; K487-R491 WeakPolarHBondContact O-CG 3.27Å; K487-R491 PolarHBondContact O-N 3.38Å; Y488-R491 WeakPolarHBondContact O-CB 3.29Å; Y488-R491 PolarHBondContact O-N 2.98Å; E489-R491 VanDerWaalsContact C-N 3.32Å; E489-R491 PolarHBondContact O-N 3.47Å; R491-L493 PolarHBondContact O-N 3.24Å; R491-V494 PolarHBondContact O-N 3.48Å; R491-V494 VanDerWaalsContact O-N 3.09Å; R491-E495 PolarHBondContact O-N 2.71Å |
| 492 | C | 75.5 | Confident | 75.1 | Confident | 39 Ų | 39 | 84.5 Ų | 84.5 | 26% | 0.264 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.1 | -38.4 | 175.1 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | Y488 E489 R496 | Y488-C492 WeakPolarHBondContact CE1-SG 3.42Å; Y488-C492 VanDerWaalsContact CZ-SG 3.52Å; Y488-C492 PolarHBondContact O-N 3.37Å; Y488-C492 PolarHBondContact O-SG 2.7Å; Y488-C492 VanDerWaalsContact O-SG 3.4Å; E489-C492 PolarHBondContact O-N 3.5Å; C492-R496 WeakPolarHBondContact O-CB 3.33Å; C492-R496 PolarHBondContact O-N 2.93Å |
| 493 | L | 77.5 | Confident | 75 | Confident | 106 Ų | 106 | 88.8 Ų | 88.8 | 56% | 0.555 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.6 | -42.5 | 174.3 | -72.3 | 171.4 | 0 | 0 | 0 | 112 | E489 Q490 R491 R496 N497 | E489-L493 WeakPolarHBondContact O-CB 3.39Å; E489-L493 VanDerWaalsContact O-CG 3.27Å; E489-L493 WeakPolarHBondContact O-CG 3.36Å; E489-L493 PolarHBondContact O-N 3.14Å; Q490-L493 PolarHBondContact O-N 3.19Å; R491-L493 PolarHBondContact O-N 3.24Å; L493-R496 PolarHBondContact O-N 2.92Å; L493-N497 WeakPolarHBondContact O-CB 3.49Å; L493-N497 PolarHBondContact O-N 3.43Å; L493-N497 PolarHBondContact O-ND2 3.1Å |
| 494 | V | 79 | Confident | 74.4 | Confident | 70 Ų | 70 | 87 Ų | 87 | 42% | 0.424 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | Q490 R491 N497 K498 | Q490-V494 WeakPolarHBondContact O-CG2 3.36Å; Q490-V494 PolarHBondContact O-N 3.43Å; R491-V494 PolarHBondContact O-N 3.48Å; R491-V494 VanDerWaalsContact O-N 3.09Å; V494-N497 PolarHBondContact O-N 2.98Å; V494-K498 WeakPolarHBondContact O-CG 3.47Å; V494-K498 PolarHBondContact O-N 3.02Å |
| 495 | E | 75.9 | Confident | 73.5 | Confident | 108 Ų | 108 | 91.2 Ų | 91.2 | 51% | 0.505 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 176.6 | -74 | -175.7 | 163.7 | 0 | 0 | 111.8 | R491 N497 K498 L499 | R491-E495 PolarHBondContact O-N 2.71Å; E495-N497 VanDerWaalsContact C-N 3.3Å; E495-N497 PolarHBondContact O-N 3.28Å; E495-K498 WeakPolarHBondContact O-CB 3.39Å; E495-K498 PolarHBondContact O-N 2.77Å; E495-K498 VanDerWaalsContact O-N 3.17Å; E495-L499 WeakPolarHBondContact O-CG 3.27Å; E495-L499 PolarHBondContact O-N 3.11Å |
| 496 | R | 75.7 | Confident | 72.3 | Confident | 161 Ų | 161 | 92.9 Ų | 92.9 | 61% | 0.608 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.5 | -38.6 | 174 | -169 | 174.5 | -172.2 | 137.6 | 1.4 | 111.9 | C492 L493 L499 K500 | C492-R496 WeakPolarHBondContact O-CB 3.33Å; C492-R496 PolarHBondContact O-N 2.93Å; L493-R496 PolarHBondContact O-N 2.92Å; R496-L499 PolarHBondContact O-N 2.84Å; R496-K500 WeakPolarHBondContact O-CB 3.46Å; R496-K500 WeakPolarHBondContact O-CG 3.15Å; R496-K500 PolarHBondContact O-N 2.91Å |
| 497 | N | 79.4 | Confident | 70.7 | Confident | 96 Ų | 96 | 92.5 Ų | 92.5 | 51% | 0.513 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.2 | -36.9 | 175.2 | -73 | -13.5 | 0 | 0 | 0 | 112 | L493 V494 E495 K500 S501 | L493-N497 WeakPolarHBondContact O-CB 3.49Å; L493-N497 PolarHBondContact O-N 3.43Å; L493-N497 PolarHBondContact O-ND2 3.1Å; V494-N497 PolarHBondContact O-N 2.98Å; E495-N497 VanDerWaalsContact C-N 3.3Å; E495-N497 PolarHBondContact O-N 3.28Å; N497-K500 PolarHBondContact O-N 3.46Å; N497-S501 WeakPolarHBondContact O-CB 3.32Å; N497-S501 PolarHBondContact O-N 3.32Å; N497-S501 PolarHBondContact O-OG 3.13Å |
| 498 | K | 75.8 | Confident | 68.8 | Low | 132 Ų | 132 | 95.3 Ų | 95.3 | 57% | 0.574 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.1 | -44.2 | 172.4 | -75.9 | 179.8 | 179.3 | -177.5 | 0 | 111.6 | V494 E495 S501 K502 | V494-K498 WeakPolarHBondContact O-CG 3.47Å; V494-K498 PolarHBondContact O-N 3.02Å; E495-K498 WeakPolarHBondContact O-CB 3.39Å; E495-K498 PolarHBondContact O-N 2.77Å; E495-K498 VanDerWaalsContact O-N 3.17Å; K498-S501 WeakPolarHBondContact CA-OG 3.42Å; K498-S501 PolarHBondContact O-N 3.05Å; K498-S501 PolarHBondContact O-OG 3.06Å; K498-K502 PolarHBondContact O-N 3.42Å |
| 499 | L | 75.6 | Confident | 66.9 | Low | 98 Ų | 98 | 98.7 Ų | 98.7 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -50.1 | 175.2 | -73 | 167 | 0 | 0 | 0 | 111 | E495 R496 S501 K502 D503 | E495-L499 WeakPolarHBondContact O-CG 3.27Å; E495-L499 PolarHBondContact O-N 3.11Å; R496-L499 PolarHBondContact O-N 2.84Å; L499-S501 VanDerWaalsContact C-N 3.26Å; L499-S501 PolarHBondContact O-N 3.38Å; L499-K502 CarbonylContact O-C 3.56Å; L499-K502 WeakPolarHBondContact O-CA 3.37Å; L499-K502 WeakPolarHBondContact O-CB 3.27Å; L499-K502 PolarHBondContact O-N 2.87Å; L499-D503 PolarHBondContact O-N 2.86Å |
| 500 | K | 76 | Confident | 65 | Low | 109 Ų | 109 | 101.1 Ų | 101.1 | 47% | 0.474 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -56.2 | -38 | 173.7 | -75.6 | -178.6 | 176 | -172.3 | 0 | 113.3 | R496 N497 N504 | R496-K500 WeakPolarHBondContact O-CB 3.46Å; R496-K500 WeakPolarHBondContact O-CG 3.15Å; R496-K500 PolarHBondContact O-N 2.91Å; N497-K500 PolarHBondContact O-N 3.46Å; K500-N504 VanDerWaalsContact O-CB 3.32Å; K500-N504 WeakPolarHBondContact O-CB 3.21Å; K500-N504 VanDerWaalsContact O-CG 3.28Å; K500-N504 PolarHBondContact O-N 3.18Å |
| 501 | S | 68.6 | Low | 62.7 | Low | 57 Ų | 57 | 98.7 Ų | 98.7 | 40% | 0.399 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.3 | -34.8 | 176.3 | 72.8 | 0 | 0 | 0 | 0 | 112.7 | N497 K498 L499 N505 | N497-S501 WeakPolarHBondContact O-CB 3.32Å; N497-S501 PolarHBondContact O-N 3.32Å; N497-S501 PolarHBondContact O-OG 3.13Å; K498-S501 WeakPolarHBondContact CA-OG 3.42Å; K498-S501 PolarHBondContact O-N 3.05Å; K498-S501 PolarHBondContact O-OG 3.06Å; L499-S501 VanDerWaalsContact C-N 3.26Å; L499-S501 PolarHBondContact O-N 3.38Å; S501-N505 WeakPolarHBondContact O-CB 3.27Å; S501-N505 PolarHBondContact O-N 3.43Å; S501-N505 PolarHBondContact O-ND2 3.41Å |
| 502 | K | 70.9 | Confident | 60.5 | Low | 151 Ų | 151 | 101 Ų | 101 | 66% | 0.657 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -69.2 | -42.5 | 173.4 | -77.5 | -175.5 | 173.7 | -173 | 0 | 111.1 | K498 L499 N505 G506 | K498-K502 PolarHBondContact O-N 3.42Å; L499-K502 CarbonylContact O-C 3.56Å; L499-K502 WeakPolarHBondContact O-CA 3.37Å; L499-K502 WeakPolarHBondContact O-CB 3.27Å; L499-K502 PolarHBondContact O-N 2.87Å; K502-N505 PolarHBondContact O-N 3.41Å; K502-G506 PolarHBondContact O-N 2.97Å |
| 503 | D | 69.6 | Low | 58.2 | Low | 108 Ų | 108 | 107.4 Ų | 107.4 | 58% | 0.578 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.4 | -42.1 | 177.2 | -63.3 | -22.1 | 0 | 0 | 0 | 111.1 | L499 G506 S507 | L499-D503 PolarHBondContact O-N 2.86Å; D503-G506 PolarHBondContact O-N 3.26Å; D503-S507 WeakPolarHBondContact O-CB 3.02Å; D503-S507 PolarHBondContact O-N 3.28Å; D503-S507 PolarHBondContact O-OG 3.44Å |
| 504 | N | 62.8 | Low | 55.7 | Low | 106 Ų | 106 | 107.9 Ų | 107.9 | 57% | 0.567 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.4 | -42.1 | 175.5 | -77.4 | -0.4 | 0 | 0 | 0 | 111.9 | K500 G506 S507 L508 | K500-N504 VanDerWaalsContact O-CB 3.32Å; K500-N504 WeakPolarHBondContact O-CB 3.21Å; K500-N504 VanDerWaalsContact O-CG 3.28Å; K500-N504 PolarHBondContact O-N 3.18Å; N504-G506 VanDerWaalsContact C-N 3.35Å; N504-S507 WeakPolarHBondContact CA-OG 3.44Å; N504-S507 PolarHBondContact O-N 2.91Å; N504-S507 PolarHBondContact O-OG 3.46Å; N504-L508 PolarHBondContact O-N 2.97Å |
| 505 | N | 55.1 | Low | 53.1 | Low | 113 Ų | 113 | 109.5 Ų | 109.5 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.3 | -29.5 | 176.4 | -70.1 | -7.2 | 0 | 0 | 0 | 112.7 | S501 K502 S509 | S501-N505 WeakPolarHBondContact O-CB 3.27Å; S501-N505 PolarHBondContact O-N 3.43Å; S501-N505 PolarHBondContact O-ND2 3.41Å; K502-N505 PolarHBondContact O-N 3.41Å; N505-S509 PolarHBondContact O-OG 3.23Å |
| 506 | G | 47.3 | Very low | 50.6 | Low | 38 Ų | 38 | 109.5 Ų | 109.5 | 39% | 0.392 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.6 | -35.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | K502 D503 N504 S509 | K502-G506 PolarHBondContact O-N 2.97Å; D503-G506 PolarHBondContact O-N 3.26Å; N504-G506 VanDerWaalsContact C-N 3.35Å; G506-S509 PolarHBondContact O-N 3.49Å; G506-S509 PolarHBondContact O-OG 3.29Å |
| 507 | S | 44.3 | Very low | 48.1 | Very low | 65 Ų | 65 | 110 Ų | 110 | 46% | 0.455 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -76.4 | -26.7 | 176.3 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | D503 N504 S509 T510 | D503-S507 WeakPolarHBondContact O-CB 3.02Å; D503-S507 PolarHBondContact O-N 3.28Å; D503-S507 PolarHBondContact O-OG 3.44Å; N504-S507 WeakPolarHBondContact CA-OG 3.44Å; N504-S507 PolarHBondContact O-N 2.91Å; N504-S507 PolarHBondContact O-OG 3.46Å; S507-S509 PolarHBondContact O-N 2.88Å; S507-T510 PolarHBondContact O-N 3.3Å; S507-T510 PolarHBondContact O-OG1 3.38Å |
| 508 | L | 36.1 | Very low | 45.3 | Very low | 135 Ų | 135 | 109.6 Ų | 109.6 | 71% | 0.707 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -12.9 | 173.6 | -153.2 | 76.9 | 0 | 0 | 0 | 112.8 | N504 | N504-L508 PolarHBondContact O-N 2.97Š|
| 509 | S | 33.3 | Very low | 43.1 | Very low | 94 Ų | 94 | 108.9 Ų | 108.9 | 66% | 0.657 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -3.3 | 172.3 | 29.7 | 0 | 0 | 0 | 0 | 113.4 | N505 G506 S507 | N505-S509 PolarHBondContact O-OG 3.23Å; G506-S509 PolarHBondContact O-N 3.49Å; G506-S509 PolarHBondContact O-OG 3.29Å; S507-S509 PolarHBondContact O-N 2.88Å |
| 510 | T | 34.3 | Very low | 40.5 | Very low | 108 Ų | 108 | 109.1 Ų | 109.1 | 66% | 0.663 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -103.3 | 6.2 | 176.8 | 50.9 | 0 | 0 | 0 | 0 | 114.9 | S507 N512 | S507-T510 PolarHBondContact O-N 3.3Å; S507-T510 PolarHBondContact O-OG1 3.38Å; T510-N512 VanDerWaalsContact C-N 3.29Å; T510-N512 PolarHBondContact O-N 2.87Å |
| 511 | S | 28.8 | Very low | 37.9 | Very low | 81 Ų | 81 | 109.1 Ų | 109.1 | 57% | 0.566 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -84.6 | 8.3 | 178.7 | 65.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 512 | N | 28.9 | Very low | 35.7 | Very low | 147 Ų | 147 | 116 Ų | 116 | 79% | 0.786 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -125.9 | 63.1 | 175 | -78 | -9.4 | 0 | 0 | 0 | 110.9 | T510 | T510-N512 VanDerWaalsContact C-N 3.29Å; T510-N512 PolarHBondContact O-N 2.87Å |
| 513 | L | 28.2 | Very low | 33.4 | Very low | 173 Ų | 173 | 114.9 Ų | 114.9 | 91% | 0.906 | 70% | 0.7 | S | S | * | * | trans | -170.1 | 64.1 | 159.7 | -101.7 | 140.3 | 0 | 0 | 0 | 109.2 | ||||
| 514 | S | 24.4 | Very low | 31.1 | Very low | 115 Ų | 115 | 118 Ų | 118 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | -128.7 | 67.1 | 169.8 | 64.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 515 | S | 23.8 | Very low | 29.2 | Very low | 105 Ų | 105 | 117.8 Ų | 117.8 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | trans | -160.5 | 127 | 161.7 | 58.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 516 | S | 23.6 | Very low | 27.6 | Very low | 108 Ų | 108 | 119.9 Ų | 119.9 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | trans | 79.5 | 101.2 | 174.1 | 79.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 517 | L | 24.6 | Very low | 26.4 | Very low | 172 Ų | 172 | 124.2 Ų | 124.2 | 90% | 0.901 | 75% | 0.753 | S | S | * | * | 169.1 | 99.2 | 110.3 | -89.1 | 145.4 | 0 | 0 | 0 | 110.3 | |||||
| 518 | A | 19.4 | Very low | 25.3 | Very low | 87 Ų | 87 | 127.8 Ų | 127.8 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | trans | -98.1 | 164.9 | 139.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 519 | P | 30.2 | Very low | 24.5 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | cis | -129.8 | -173.6 | -11.9 | 38.1 | -20.4 | 0 | 0 | 0 | 113 | ||||
| 520 | S | 19.7 | Very low | 23.9 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 104 | 106.4 | 142.7 | 74.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 521 | S | 22.2 | Very low | 23.3 | Very low | 108 Ų | 108 | 132.5 Ų | 132.5 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | 61.8 | 94.8 | 128.3 | 65.1 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 522 | K | 23.3 | Very low | 22.9 | Very low | 201 Ų | 201 | 136.5 Ų | 136.5 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -143.2 | 101.1 | 130.7 | -80.5 | -167.8 | 179.2 | 171.3 | 0 | 110.5 | ||||
| 523 | T | 21.9 | Very low | 22.5 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | 44.8 | 104.9 | 141.6 | 55.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 524 | D | 21.3 | Very low | 22.8 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 92% | 0.92 | 79% | 0.792 | S | S | * | * | trans | -48.7 | 130.3 | 160.9 | -59.4 | -56.1 | 0 | 0 | 0 | 112.5 | ||||
| 525 | S | 22.4 | Very low | 22.7 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -140.6 | 137.9 | 156.7 | 39.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 526 | D | 22.1 | Very low | 22.5 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | 85.3 | 77.6 | 163.3 | -52.3 | -22.1 | 0 | 0 | 0 | 118.3 | ||||
| 527 | V | 21.6 | Very low | 22.4 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | -131.1 | 129.2 | 147.2 | 175 | 0 | 0 | 0 | 0 | 109 | ||||
| 528 | D | 20.6 | Very low | 22.3 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 73.4 | 101.8 | 160.8 | -64.9 | -19.2 | 0 | 0 | 0 | 121 | ||||
| 529 | K | 20.9 | Very low | 22.4 | Very low | 197 Ų | 197 | 136.3 Ų | 136.3 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | 148.3 | 118.8 | 119.7 | -82.7 | 170.7 | -177.2 | 175.7 | 0 | 112.2 | |||||
| 530 | C | 20.8 | Very low | 22 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -148.7 | 88.5 | 147.3 | -105 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 531 | S | 21.5 | Very low | 22 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -65.3 | 121.6 | 156.3 | 41.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 532 | I | 20.7 | Very low | 22.1 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -94.2 | 112.2 | 176.9 | -62.3 | 169.1 | 0 | 0 | 0 | 109 | ||||
| 533 | S | 19.8 | Very low | 22 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -179 | 165.7 | 154.1 | 55.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 534 | P | 35.3 | Very low | 22.1 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | -121.8 | 175.8 | -66.6 | 35.5 | -20.4 | 0 | 0 | 0 | 109.7 | |||||
| 535 | E | 20.8 | Very low | 22.2 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | 151.2 | 140.1 | 161.2 | -88.5 | 177 | -160.4 | 0 | 0 | 107 | ||||
| 536 | N | 20.5 | Very low | 22.2 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 58% | 0.583 | 78% | 0.784 | S | S | * | * | cis | -168.9 | 148.1 | 9.7 | -114.4 | -27.6 | 0 | 0 | 0 | 107.3 | ||||
| 537 | N | 21.5 | Very low | 22.1 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | 63 | 140.2 | 143.5 | -61.5 | -21.6 | 0 | 0 | 0 | 118.8 | ||||
| 538 | S | 22.5 | Very low | 22.2 | Very low | 88 Ų | 88 | 144.6 Ų | 144.6 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | cis | 176.6 | 145.7 | 2.4 | 41.4 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 539 | Q | 20.7 | Very low | 22.3 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | 57.3 | 109.5 | 144.8 | -65.9 | 166.6 | -14.3 | 0 | 0 | 118.5 | ||||
| 540 | C | 22.3 | Very low | 22.7 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 91% | 0.905 | 79% | 0.791 | S | S | * | * | -160.3 | 109.7 | 113.4 | -99 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 541 | A | 20.2 | Very low | 22.9 | Very low | 92 Ų | 92 | 143.4 Ų | 143.4 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -81.4 | 127.9 | 161 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 542 | D | 23.7 | Very low | 23.4 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -145.7 | 112.2 | 150.6 | -97.7 | -29.7 | 0 | 0 | 0 | 109.3 | ||||
| 543 | N | 21.3 | Very low | 23.9 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -71.5 | 120.6 | 167.1 | -75 | -37.5 | 0 | 0 | 0 | 108.2 | ||||
| 544 | N | 24.4 | Very low | 24.6 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | -147.3 | 97.3 | 148.2 | -94 | -30.7 | 0 | 0 | 0 | 109.7 | T546 | N544-T546 PolarHBondContact O-N 3.29Å; N544-T546 VanDerWaalsContact O-N 3.16Å | ||
| 545 | I | 22.1 | Very low | 24.3 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -70.9 | 97.3 | 166.6 | -62.6 | 168.4 | 0 | 0 | 0 | 106.6 | ||||
| 546 | T | 22.6 | Very low | 25.2 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | trans | -116.4 | 111.3 | 162 | 17.5 | 0 | 0 | 0 | 0 | 108.9 | N544 M548 | N544-T546 PolarHBondContact O-N 3.29Å; N544-T546 VanDerWaalsContact O-N 3.16Å; T546-M548 PolarHBondContact O-N 2.95Å; T546-M548 VanDerWaalsContact O-N 3.17Å | ||
| 547 | R | 20.6 | Very low | 25.9 | Very low | 244 Ų | 244 | 138.8 Ų | 138.8 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | trans | -50.6 | 112.2 | 167.8 | -68.7 | 171.2 | 172.9 | 149 | -3 | 109.3 | ||||
| 548 | M | 22.9 | Very low | 26.5 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | trans | -135.6 | 130.7 | 156.3 | -84.5 | -166.7 | 162.8 | 0 | 0 | 108.9 | T546 V550 | T546-M548 PolarHBondContact O-N 2.95Å; T546-M548 VanDerWaalsContact O-N 3.17Å; M548-V550 PolarHBondContact O-N 3.18Å | ||
| 549 | N | 23.7 | Very low | 27.1 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | trans | -47.3 | 125 | -178.4 | -68.2 | -31.5 | 0 | 0 | 0 | 110.8 | D551 | N549-D551 PolarHBondContact O-N 3.01Š| ||
| 550 | V | 28 | Very low | 27.7 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 75% | 0.745 | 72% | 0.721 | S | S | * | * | trans | -78.8 | 98 | 168.4 | -173.9 | 0 | 0 | 0 | 0 | 106.3 | M548 V552 | M548-V550 PolarHBondContact O-N 3.18Å; V550-V552 HydrophobicContact CB-CG2 4.15Å; V550-V552 HydrophobicContact CG1-CB 4.5Å; V550-V552 HydrophobicContact CG1-CG2 3.45Å; V550-V552 VanDerWaalsContact CG1-CG2 3.45Å; V550-V552 PolarHBondContact O-N 3.34Å | ||
| 551 | D | 26.5 | Very low | 28.2 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 84% | 0.84 | 71% | 0.71 | S | S | * | * | trans | -65.1 | 90 | 157.7 | -75.3 | -33.5 | 0 | 0 | 0 | 107 | N549 N553 | N549-D551 PolarHBondContact O-N 3.01Å; D551-N553 PolarHBondContact O-N 2.65Å | ||
| 552 | V | 31.8 | Very low | 29.1 | Very low | 99 Ų | 99 | 138.3 Ų | 138.3 | 60% | 0.6 | 70% | 0.698 | S | S | * | * | trans | -73.2 | 95.2 | 176.5 | -178.6 | 0 | 0 | 0 | 0 | 107.4 | V550 P554 | V550-V552 HydrophobicContact CB-CG2 4.15Å; V550-V552 HydrophobicContact CG1-CB 4.5Å; V550-V552 HydrophobicContact CG1-CG2 3.45Å; V550-V552 VanDerWaalsContact CG1-CG2 3.45Å; V550-V552 PolarHBondContact O-N 3.34Å; V552-P554 WeakPolarHBondContact O-CD 3.37Å | ||
| 553 | N | 31.7 | Very low | 29.5 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 57% | 0.572 | 69% | 0.685 | S | S | * | * | trans | -75.4 | 114.8 | 172.6 | -133.2 | -4.5 | 0 | 0 | 0 | 108.8 | D551 E555 I556 | D551-N553 PolarHBondContact O-N 2.65Å; N553-E555 PolarHBondContact O-N 3.46Å; N553-E555 VanDerWaalsContact O-N 3.12Å; N553-I556 PolarHBondContact O-N 2.79Å | ||
| 554 | P | 33.1 | Very low | 30.1 | Very low | 87 Ų | 87 | 133.6 Ų | 133.6 | 57% | 0.565 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -64.8 | -18.6 | -168.9 | 21.4 | -30.9 | 0 | 0 | 0 | 114.7 | V552 I556 F557 | V552-P554 WeakPolarHBondContact O-CD 3.37Å; P554-I556 VanDerWaalsContact C-N 3.33Å; P554-I556 PolarHBondContact O-N 2.94Å; P554-F557 PolarHBondContact O-N 3.31Å |
| 555 | E | 30.5 | Very low | 31 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 66% | 0.659 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.1 | -31.3 | 179.1 | -65.6 | -171.8 | 157.1 | 0 | 0 | 113.5 | N553 I558 H559 | N553-E555 PolarHBondContact O-N 3.46Å; N553-E555 VanDerWaalsContact O-N 3.12Å; E555-I558 PolarHBondContact O-N 2.94Å; E555-H559 PolarHBondContact O-N 3.03Å |
| 556 | I | 39 | Very low | 31.5 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 55% | 0.554 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.8 | -33.5 | -179.3 | -61 | 175.6 | 0 | 0 | 0 | 110.8 | N553 P554 H559 Q560 | N553-I556 PolarHBondContact O-N 2.79Å; P554-I556 VanDerWaalsContact C-N 3.33Å; P554-I556 PolarHBondContact O-N 2.94Å; I556-H559 PolarHBondContact O-N 3.22Å; I556-Q560 PolarHBondContact O-N 3.38Å |
| 557 | F | 34.7 | Very low | 32 | Very low | 136 Ų | 136 | 126.2 Ų | 126.2 | 60% | 0.596 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.4 | -33 | 179.8 | -129.4 | -84.2 | 0 | 0 | 0 | 112.4 | P554 R561 | P554-F557 PolarHBondContact O-N 3.31Å; F557-R561 WeakPolarHBondContact O-CB 3.44Å; F557-R561 PolarHBondContact O-N 2.95Å; F557-R561 VanDerWaalsContact O-N 3.14Å |
| 558 | I | 34.2 | Very low | 32.8 | Very low | 106 Ų | 106 | 121 Ų | 121 | 54% | 0.544 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.3 | -45 | 175.8 | -61.8 | 173.4 | 0 | 0 | 0 | 109.8 | E555 R561 I562 | E555-I558 PolarHBondContact O-N 2.94Å; I558-R561 PolarHBondContact O-N 2.81Å; I558-I562 HydrophobicContact CG2-CD1 3.97Å; I558-I562 VanDerWaalsContact O-CG1 3.3Å; I558-I562 WeakPolarHBondContact O-CG1 3.31Å; I558-I562 PolarHBondContact O-N 3.44Å; I558-I562 VanDerWaalsContact O-N 3.14Å |
| 559 | H | 35.1 | Very low | 33.5 | Very low | 128 Ų | 128 | 117.4 Ų | 117.4 | 59% | 0.593 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.9 | -39.7 | 178.9 | -90 | -76.1 | 0 | 0 | 0 | 113.3 | E555 I556 I562 Q563 | E555-H559 PolarHBondContact O-N 3.03Å; I556-H559 PolarHBondContact O-N 3.22Å; H559-I562 PolarHBondContact O-N 3.43Å; H559-Q563 PolarHBondContact O-N 3.49Å; H559-Q563 VanDerWaalsContact O-N 3.1Å |
| 560 | Q | 33.4 | Very low | 33.9 | Very low | 110 Ų | 110 | 117 Ų | 117 | 51% | 0.514 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.5 | -40.5 | 176.2 | -81.9 | -177.8 | -23.9 | 0 | 0 | 112.2 | I556 I562 Q563 T564 | I556-Q560 PolarHBondContact O-N 3.38Å; Q560-I562 VanDerWaalsContact C-N 3.32Å; Q560-I562 PolarHBondContact O-N 3.39Å; Q560-Q563 PolarHBondContact O-N 3.13Å; Q560-T564 WeakPolarHBondContact O-CG2 3.34Å; Q560-T564 PolarHBondContact O-N 2.65Å; Q560-T564 PolarHBondContact O-OG1 3.49Å |
| 561 | R | 32.5 | Very low | 34 | Very low | 183 Ų | 183 | 118 Ų | 118 | 69% | 0.691 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.2 | -31.8 | 178.9 | -162.7 | 166.4 | -171.8 | 163.8 | 1.6 | 112.8 | F557 I558 T564 V565 | F557-R561 WeakPolarHBondContact O-CB 3.44Å; F557-R561 PolarHBondContact O-N 2.95Å; F557-R561 VanDerWaalsContact O-N 3.14Å; I558-R561 PolarHBondContact O-N 2.81Å; R561-T564 PolarHBondContact O-OG1 3.39Å; R561-V565 VanDerWaalsContact O-CG2 3.25Å; R561-V565 WeakPolarHBondContact O-CG2 3.42Å; R561-V565 PolarHBondContact O-N 3.42Å |
| 562 | I | 38.8 | Very low | 34.3 | Very low | 96 Ų | 96 | 116.1 Ų | 116.1 | 49% | 0.492 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.2 | -44 | 173 | -67 | 166.7 | 0 | 0 | 0 | 110.1 | I558 H559 Q560 V565 T566 | I558-I562 HydrophobicContact CG2-CD1 3.97Å; I558-I562 VanDerWaalsContact O-CG1 3.3Å; I558-I562 WeakPolarHBondContact O-CG1 3.31Å; I558-I562 PolarHBondContact O-N 3.44Å; I558-I562 VanDerWaalsContact O-N 3.14Å; H559-I562 PolarHBondContact O-N 3.43Å; Q560-I562 VanDerWaalsContact C-N 3.32Å; Q560-I562 PolarHBondContact O-N 3.39Å; I562-V565 PolarHBondContact O-N 3.07Å; I562-T566 PolarHBondContact O-N 2.93Å; I562-T566 PolarHBondContact O-OG1 3.42Å |
| 563 | Q | 32.6 | Very low | 34.3 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 59% | 0.589 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.1 | -42.7 | -179.4 | -75.3 | -178.6 | -11.7 | 0 | 0 | 113.1 | H559 Q560 V565 T566 E567 | H559-Q563 PolarHBondContact O-N 3.49Å; H559-Q563 VanDerWaalsContact O-N 3.1Å; Q560-Q563 PolarHBondContact O-N 3.13Å; Q563-V565 VanDerWaalsContact C-N 3.34Å; Q563-V565 PolarHBondContact O-N 3.49Å; Q563-T566 PolarHBondContact O-N 2.83Å; Q563-E567 PolarHBondContact O-N 2.68Å |
| 564 | T | 34.2 | Very low | 34 | Very low | 80 Ų | 80 | 122.9 Ų | 122.9 | 49% | 0.491 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.9 | -38.5 | 178.4 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | Q560 R561 T566 E567 E568 | Q560-T564 WeakPolarHBondContact O-CG2 3.34Å; Q560-T564 PolarHBondContact O-N 2.65Å; Q560-T564 PolarHBondContact O-OG1 3.49Å; R561-T564 PolarHBondContact O-OG1 3.39Å; T564-T566 VanDerWaalsContact C-N 3.29Å; T564-T566 PolarHBondContact O-N 2.85Å; T564-E567 PolarHBondContact O-N 2.96Å; T564-E568 PolarHBondContact O-N 2.93Å; T564-E568 VanDerWaalsContact O-N 3.07Å |
| 565 | V | 42.3 | Very low | 33.8 | Very low | 76 Ų | 76 | 123.1 Ų | 123.1 | 46% | 0.461 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.6 | -32.8 | 174 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | R561 I562 Q563 N569 | R561-V565 VanDerWaalsContact O-CG2 3.25Å; R561-V565 WeakPolarHBondContact O-CG2 3.42Å; R561-V565 PolarHBondContact O-N 3.42Å; I562-V565 PolarHBondContact O-N 3.07Å; Q563-V565 VanDerWaalsContact C-N 3.34Å; Q563-V565 PolarHBondContact O-N 3.49Å; V565-N569 VanDerWaalsContact O-CB 3.31Å; V565-N569 WeakPolarHBondContact O-CB 3.18Å; V565-N569 PolarHBondContact O-N 3.48Å; V565-N569 PolarHBondContact O-ND2 2.9Å |
| 566 | T | 34.5 | Very low | 33.7 | Very low | 69 Ų | 69 | 123 Ų | 123 | 42% | 0.423 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -73.8 | -33.9 | 179.3 | -35.4 | 0 | 0 | 0 | 0 | 112.1 | I562 Q563 T564 K570 | I562-T566 PolarHBondContact O-N 2.93Å; I562-T566 PolarHBondContact O-OG1 3.42Å; Q563-T566 PolarHBondContact O-N 2.83Å; T564-T566 VanDerWaalsContact C-N 3.29Å; T564-T566 PolarHBondContact O-N 2.85Å; T566-K570 PolarHBondContact O-N 3.5Å |
| 567 | E | 33.2 | Very low | 33.2 | Very low | 139 Ų | 139 | 122.4 Ų | 122.4 | 65% | 0.65 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -78.5 | -39.3 | 178.1 | -71.4 | -166.8 | 160.9 | 0 | 0 | 113.3 | Q563 T564 N569 K570 L571 | Q563-E567 PolarHBondContact O-N 2.68Å; T564-E567 PolarHBondContact O-N 2.96Å; E567-N569 PolarHBondContact O-N 3.37Å; E567-K570 PolarHBondContact O-N 2.84Å; E567-K570 VanDerWaalsContact O-N 3.08Å; E567-L571 PolarHBondContact O-N 3.4Å |
| 568 | E | 36.1 | Very low | 32.9 | Very low | 136 Ų | 136 | 125 Ų | 125 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61.7 | -34.1 | 171.2 | -77 | -172.4 | 160 | 0 | 0 | 111.7 | T564 N572 | T564-E568 PolarHBondContact O-N 2.93Å; T564-E568 VanDerWaalsContact O-N 3.07Å; E568-N572 PolarHBondContact O-N 2.64Å |
| 569 | N | 37.2 | Very low | 32.7 | Very low | 101 Ų | 101 | 125 Ų | 125 | 54% | 0.54 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71 | -28.5 | 174.3 | -75.3 | -23.1 | 0 | 0 | 0 | 113.2 | V565 E567 | V565-N569 VanDerWaalsContact O-CB 3.31Å; V565-N569 WeakPolarHBondContact O-CB 3.18Å; V565-N569 PolarHBondContact O-N 3.48Å; V565-N569 PolarHBondContact O-ND2 2.9Å; E567-N569 PolarHBondContact O-N 3.37Å |
| 570 | K | 33.4 | Very low | 32.7 | Very low | 150 Ų | 150 | 125.8 Ų | 125.8 | 65% | 0.652 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -77.2 | -38.4 | 175.5 | -82.3 | -178.3 | 178.5 | 177.9 | 0 | 112.5 | T566 E567 Y573 | T566-K570 PolarHBondContact O-N 3.5Å; E567-K570 PolarHBondContact O-N 2.84Å; E567-K570 VanDerWaalsContact O-N 3.08Å; K570-Y573 PolarHBondContact O-N 2.93Å |
| 571 | L | 30.4 | Very low | 33 | Very low | 143 Ų | 143 | 123.1 Ų | 123.1 | 75% | 0.749 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.9 | -30.2 | 178.8 | -79.8 | 164.8 | 0 | 0 | 0 | 112.8 | E567 Y573 | E567-L571 PolarHBondContact O-N 3.4Å; L571-Y573 VanDerWaalsContact C-N 3.3Å; L571-Y573 PolarHBondContact O-N 2.89Å |
| 572 | N | 31.3 | Very low | 33.6 | Very low | 117 Ų | 117 | 120.2 Ų | 120.2 | 63% | 0.626 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -7.4 | 174.9 | -81.3 | -28.9 | 0 | 0 | 0 | 114.8 | E568 | E568-N572 PolarHBondContact O-N 2.64Š|
| 573 | Y | 31.5 | Very low | 33.9 | Very low | 196 Ų | 196 | 120.7 Ų | 120.7 | 77% | 0.769 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -22.2 | -177 | -145.1 | -93.1 | 0 | 0 | 0 | 113.5 | K570 L571 | K570-Y573 PolarHBondContact O-N 2.93Å; L571-Y573 VanDerWaalsContact C-N 3.3Å; L571-Y573 PolarHBondContact O-N 2.89Å |
| 574 | N | 27 | Very low | 34.9 | Very low | 152 Ų | 152 | 117.3 Ų | 117.3 | 81% | 0.813 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -95.4 | -1.5 | -172 | -75.1 | -11.2 | 0 | 0 | 0 | 115.1 | ||
| 575 | S | 28.2 | Very low | 36.3 | Very low | 93 Ų | 93 | 119.6 Ų | 119.6 | 65% | 0.65 | 60% | 0.599 | S | S | * | * | trans | -133.4 | 62.8 | 178.2 | 67.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 576 | K | 29.2 | Very low | 37.7 | Very low | 138 Ų | 138 | 116 Ų | 116 | 60% | 0.6 | 58% | 0.577 | S | S | * | * | trans | -131.5 | 101.2 | 159.1 | -83.4 | -177.8 | 175.6 | 175.6 | 0 | 109.1 | F578 E582 | K576-F578 PolarHBondContact O-N 3.46Å; K576-E582 IonicContact NZ-OE1 3.49Å; K576-E582 PolarHBondContact NZ-OE1 3.08Å | ||
| 577 | S | 28.1 | Very low | 39.8 | Very low | 96 Ų | 96 | 114 Ų | 114 | 67% | 0.671 | 57% | 0.565 | S | S | * | * | trans | -38.1 | 133.6 | 146.3 | 44.7 | 0 | 0 | 0 | 0 | 109.1 | D579 | S577-D579 PolarHBondContact O-N 2.99Š| ||
| 578 | F | 28.9 | Very low | 42 | Very low | 189 Ų | 189 | 108.5 Ų | 108.5 | 83% | 0.829 | 54% | 0.541 | S | S | * | . | trans | -52 | 79.4 | 177.8 | -109 | -97.9 | 0 | 0 | 0 | 111.5 | K576 H580 | K576-F578 PolarHBondContact O-N 3.46Å; F578-H580 PolarHBondContact O-N 3.14Å; F578-H580 VanDerWaalsContact O-N 3.15Å | ||
| 579 | D | 28.6 | Very low | 44.2 | Very low | 108 Ų | 108 | 102 Ų | 102 | 58% | 0.578 | 51% | 0.511 | S | S | * | . | trans | -74.7 | 105.8 | 170.9 | -95.5 | -13.6 | 0 | 0 | 0 | 106.5 | S577 S581 E582 | S577-D579 PolarHBondContact O-N 2.99Å; D579-S581 PolarHBondContact O-N 3.45Å; D579-E582 PolarHBondContact O-N 2.89Å | ||
| 580 | H | 34.5 | Very low | 46.4 | Very low | 144 Ų | 144 | 97.8 Ų | 97.8 | 67% | 0.667 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 6.2 | 168.9 | -73.5 | -68.7 | 0 | 0 | 0 | 114.8 | F578 E583 T584 | F578-H580 PolarHBondContact O-N 3.14Å; F578-H580 VanDerWaalsContact O-N 3.15Å; H580-E583 IonicContact ND1-OE2 2.67Å; H580-E583 PolarHBondContact ND1-OE2 3.42Å; H580-T584 PolarHBondContact O-OG1 3.22Å |
| 581 | S | 41.4 | Very low | 48.6 | Very low | 53 Ų | 53 | 94.3 Ų | 94.3 | 37% | 0.371 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -15.9 | 178.2 | 78.6 | 0 | 0 | 0 | 0 | 114.4 | D579 R585 | D579-S581 PolarHBondContact O-N 3.45Å; S581-R585 PolarHBondContact O-NE 2.77Å; S581-R585 VanDerWaalsContact O-NE 3.08Å |
| 582 | E | 43.4 | Very low | 51.3 | Low | 122 Ų | 122 | 88.5 Ų | 88.5 | 57% | 0.57 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -83.6 | -29.6 | 174.9 | -72.9 | -172.8 | -179.1 | 0 | 0 | 112.5 | K576 D579 T584 | K576-E582 IonicContact NZ-OE1 3.49Å; K576-E582 PolarHBondContact NZ-OE1 3.08Å; D579-E582 PolarHBondContact O-N 2.89Å; E582-T584 PolarHBondContact O-N 3.39Å |
| 583 | E | 46.5 | Very low | 53.9 | Low | 106 Ų | 106 | 83.7 Ų | 83.7 | 50% | 0.495 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -14.5 | -179.8 | -71.8 | -176.9 | 140.5 | 0 | 0 | 114.5 | H580 | H580-E583 IonicContact ND1-OE2 2.67Å; H580-E583 PolarHBondContact ND1-OE2 3.42Å |
| 584 | T | 52.6 | Low | 56.4 | Low | 56 Ų | 56 | 76.2 Ų | 76.2 | 34% | 0.344 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 7 | -168.9 | 20.5 | 0 | 0 | 0 | 0 | 115.7 | L35 Y488 H580 E582 | L35-T584 WeakPolarHBondContact CD2-O 3.44Å; Y488-T584 VanDerWaalsContact OH-C 3.26Å; Y488-T584 VanDerWaalsContact OH-CA 3.25Å; Y488-T584 WeakPolarHBondContact OH-CA 3.36Å; Y488-T584 PolarHBondContact OH-O 3.25Å; Y488-T584 VanDerWaalsContact OH-O 3.05Å; H580-T584 PolarHBondContact O-OG1 3.22Å; E582-T584 PolarHBondContact O-N 3.39Å |
| 585 | R | 64.3 | Low | 59.2 | Low | 128 Ų | 128 | 70.6 Ų | 70.6 | 48% | 0.483 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -103.6 | 138.8 | -169.1 | -57.2 | -176.9 | -165.4 | -171.8 | 3.7 | 113.2 | L35 V38 S581 | L35-R585 WeakPolarHBondContact O-CA 3.22Å; V38-R585 HydrophobicContact CG2-CB 4.03Å; S581-R585 PolarHBondContact O-NE 2.77Å; S581-R585 VanDerWaalsContact O-NE 3.08Å |
| 586 | I | 71.4 | Confident | 62 | Low | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -99.5 | 134.8 | -179.5 | -63.1 | 178.6 | 0 | 0 | 0 | 108.2 | W32 L35 S36 Y488 E590 R591 | W32-I586 HydrophobicContact CD2-CD1 4.27Å; W32-I586 HydrophobicContact CE3-CD1 3.8Å; W32-I586 HydrophobicContact CH2-CD1 3.06Å; W32-I586 HydrophobicContact CZ2-CD1 3.55Å; W32-I586 HydrophobicContact CZ3-CD1 3.18Å; L35-I586 PolarHBondContact O-N 3.02Å; S36-I586 VanDerWaalsContact CA-O 3.31Å; S36-I586 WeakPolarHBondContact CA-O 3.26Å; Y488-I586 HydrophobicContact CD2-CD1 4.04Å; Y488-I586 HydrophobicContact CD2-CG1 4.5Å; Y488-I586 HydrophobicContact CE2-CD1 4.19Å; Y488-I586 HydrophobicContact CE2-CG1 4.17Å; Y488-I586 HydrophobicContact CG-CD1 4.49Å; I586-E590 HydrophobicContact CG2-CB 4.16Å; I586-E590 HydrophobicContact CG2-CG 4.22Å; I586-R591 HydrophobicContact CG2-CB 4.44Å |
| 587 | T | 77.8 | Confident | 64.8 | Low | 26 Ų | 26 | 69 Ų | 69 | 16% | 0.16 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 150.2 | 178.2 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | H79 Y88 A589 E590 R591 | H79-T587 PolarHBondContact NE2-OG1 3.13Å; Y88-T587 PolarHBondContact OH-OG1 3.07Å; T587-A589 PolarHBondContact O-N 2.77Å; T587-E590 PolarHBondContact O-N 3.39Å; T587-E590 WeakPolarHBondContact OG1-CB 3.34Å; T587-E590 PolarHBondContact OG1-N 3.46Å; T587-E590 VanDerWaalsContact OG1-N 3.12Å; T587-R591 PolarHBondContact O-N 3.03Å |
| 588 | P | 79.5 | Confident | 67.7 | Low | 24 Ų | 24 | 65.4 Ų | 65.4 | 16% | 0.156 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.3 | -39.8 | 175.3 | 21.4 | -32.1 | 0 | 0 | 0 | 111.8 | R591 E592 | P588-R591 WeakPolarHBondContact O-CB 3.5Å; P588-R591 PolarHBondContact O-N 2.91Å; P588-E592 WeakPolarHBondContact O-CG 3.41Å; P588-E592 PolarHBondContact O-N 2.73Å |
| 589 | A | 82.4 | Confident | 70.2 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | V46 Y88 L190 T587 R591 E592 A593 | V46-A589 HydrophobicContact CG1-CB 4.2Å; V46-A589 HydrophobicContact CG2-CB 3.9Å; Y88-A589 HydrophobicContact CE1-CB 3.5Å; Y88-A589 VanDerWaalsContact CE1-CB 3.5Å; Y88-A589 WeakPolarHBondContact OH-CB 3.37Å; L190-A589 HydrophobicContact CD1-CB 3.91Å; T587-A589 PolarHBondContact O-N 2.77Å; A589-R591 VanDerWaalsContact C-N 3.25Å; A589-R591 PolarHBondContact O-N 3.42Å; A589-E592 PolarHBondContact O-N 3.48Å; A589-A593 VanDerWaalsContact O-CB 3.23Å; A589-A593 WeakPolarHBondContact O-CB 3.27Å; A589-A593 PolarHBondContact O-N 3.25Å |
| 590 | E | 83.8 | Confident | 72.9 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.2 | -34.5 | 175.5 | -176.7 | 171.5 | -142 | 0 | 0 | 111.6 | H79 T81 S82 I586 T587 | H79-E590 HydrophobicContact CB-CG 4.35Å; H79-E590 WeakPolarHBondContact CB-OE1 3.41Å; T81-E590 WeakPolarHBondContact CA-OE1 2.96Å; T81-E590 WeakPolarHBondContact CB-OE1 3.26Å; T81-E590 PolarHBondContact N-OE1 2.92Å; T81-E590 PolarHBondContact OG1-OE1 3.4Å; T81-E590 PolarHBondContact OG1-OE2 2.8Å; S82-E590 PolarHBondContact N-OE1 3.48Å; I586-E590 HydrophobicContact CG2-CB 4.16Å; I586-E590 HydrophobicContact CG2-CG 4.22Å; T587-E590 PolarHBondContact O-N 3.39Å; T587-E590 WeakPolarHBondContact OG1-CB 3.34Å; T587-E590 PolarHBondContact OG1-N 3.46Å; T587-E590 VanDerWaalsContact OG1-N 3.12Å |
| 591 | R | 80.8 | Confident | 75.5 | Confident | 76 Ų | 76 | 51.6 Ų | 51.6 | 29% | 0.287 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.7 | -48.7 | 173.7 | 177.7 | -180 | 168.9 | -158.8 | -13.6 | 111.5 | S36 I586 T587 P588 A589 A593 T594 | S36-R591 PolarHBondContact OG-NH1 2.81Å; S36-R591 VanDerWaalsContact OG-NH1 3.08Å; I586-R591 HydrophobicContact CG2-CB 4.44Å; T587-R591 PolarHBondContact O-N 3.03Å; P588-R591 WeakPolarHBondContact O-CB 3.5Å; P588-R591 PolarHBondContact O-N 2.91Å; A589-R591 VanDerWaalsContact C-N 3.25Å; A589-R591 PolarHBondContact O-N 3.42Å; R591-A593 VanDerWaalsContact C-N 3.29Å; R591-A593 PolarHBondContact O-N 3.33Å; R591-T594 WeakPolarHBondContact O-CB 3.43Å; R591-T594 PolarHBondContact O-N 3.15Å; R591-T594 PolarHBondContact O-OG1 2.92Å |
| 592 | E | 86.6 | Confident | 77.8 | Confident | 21 Ų | 21 | 50.3 Ų | 50.3 | 10% | 0.098 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.7 | -32.5 | 180 | -73.9 | 177.1 | -140.7 | 0 | 0 | 112.3 | F188 L190 H191 P588 A589 T594 L595 Q649 | F188-E592 HydrophobicContact CE2-CB 3.88Å; F188-E592 HydrophobicContact CZ-CB 4.48Å; L190-E592 WeakPolarHBondContact CD1-OE2 3.34Å; H191-E592 IonicContact CD2-OE2 2.98Å; H191-E592 PolarHBondContact CD2-OE2 2.82Å; H191-E592 IonicContact CG-OE2 3.47Å; H191-E592 PolarHBondContact N-OE2 2.87Å; P588-E592 WeakPolarHBondContact O-CG 3.41Å; P588-E592 PolarHBondContact O-N 2.73Å; A589-E592 PolarHBondContact O-N 3.48Å; E592-T594 PolarHBondContact O-N 3.27Å; E592-T594 VanDerWaalsContact O-N 3.09Å; E592-L595 HydrophobicContact CB-CD1 4.3Å; E592-L595 HydrophobicContact CG-CD1 4.07Å; E592-L595 VanDerWaalsContact O-CB 3.29Å; E592-L595 WeakPolarHBondContact O-CB 3.22Å; E592-L595 PolarHBondContact O-N 2.88Å; E592-Q649 WeakPolarHBondContact O-CG 3.18Å; E592-Q649 PolarHBondContact O-NE2 3.26Å |
| 593 | A | 86.4 | Confident | 80 | Confident | 16 Ų | 16 | 47.6 Ų | 47.6 | 13% | 0.132 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -26.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I48 Q186 F188 A589 R591 Q649 | I48-A593 HydrophobicContact CD1-CB 3.25Å; Q186-A593 PolarHBondContact NE2-O 3.46Å; Q186-A593 VanDerWaalsContact NE2-O 3.1Å; F188-A593 HydrophobicContact CE1-CB 4.08Å; F188-A593 HydrophobicContact CZ-CB 3.93Å; A589-A593 VanDerWaalsContact O-CB 3.23Å; A589-A593 WeakPolarHBondContact O-CB 3.27Å; A589-A593 PolarHBondContact O-N 3.25Å; R591-A593 VanDerWaalsContact C-N 3.29Å; R591-A593 PolarHBondContact O-N 3.33Å; A593-Q649 PolarHBondContact O-NE2 2.81Å |
| 594 | T | 83 | Confident | 82.2 | Confident | 39 Ų | 39 | 42.9 Ų | 42.9 | 24% | 0.239 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -6.8 | 174.6 | 72.6 | 0 | 0 | 0 | 0 | 113.5 | R480 L484 R591 E592 | R480-T594 PolarHBondContact NH1-O 3.28Å; R480-T594 PolarHBondContact NH2-O 2.91Å; L484-T594 HydrophobicContact CD1-CG2 4.2Å; R591-T594 WeakPolarHBondContact O-CB 3.43Å; R591-T594 PolarHBondContact O-N 3.15Å; R591-T594 PolarHBondContact O-OG1 2.92Å; E592-T594 PolarHBondContact O-N 3.27Å; E592-T594 VanDerWaalsContact O-N 3.09Å |
| 595 | L | 86 | Confident | 84.2 | Confident | 35 Ų | 35 | 40.6 Ų | 40.6 | 18% | 0.183 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -72.5 | 167 | 176.3 | -60.7 | 174.8 | 0 | 0 | 0 | 111.2 | E592 Y648 Q649 | E592-L595 HydrophobicContact CB-CD1 4.3Å; E592-L595 HydrophobicContact CG-CD1 4.07Å; E592-L595 VanDerWaalsContact O-CB 3.29Å; E592-L595 WeakPolarHBondContact O-CB 3.22Å; E592-L595 PolarHBondContact O-N 2.88Å; L595-Y648 WeakPolarHBondContact CD1-O 3.42Å; L595-Q649 HydrophobicContact CB-CG 3.81Å |
| 596 | L | 86.1 | Confident | 85.6 | Confident | 68 Ų | 68 | 35.4 Ų | 35.4 | 36% | 0.356 | 17% | 0.173 | S | C | . | . | B | Isolated β-bridge | trans | -73.2 | 145.9 | 175.5 | -65.6 | 172 | 0 | 0 | 0 | 109.6 | S647 Y648 Q649 | L596-S647 PolarHBondContact N-O 3.49Å; L596-S647 VanDerWaalsContact N-O 3.15Å; L596-Y648 HydrophobicContact CB-CD1 3.57Å; L596-Y648 HydrophobicContact CB-CE1 3.63Å; L596-Y648 HydrophobicContact CB-CG 4.47Å; L596-Y648 HydrophobicContact CD1-CE1 4.3Å; L596-Y648 CarbonylContact O-C 3.59Å; L596-Y648 VanDerWaalsContact O-CA 3.26Å; L596-Y648 WeakPolarHBondContact O-CA 3.32Å; L596-Y648 WeakPolarHBondContact O-CD1 3.35Å; L596-Q649 PolarHBondContact O-N 3.21Å |
| 597 | R | 88.4 | Confident | 86.5 | Confident | 128 Ų | 128 | 35.8 Ų | 35.8 | 48% | 0.483 | 18% | 0.175 | S | C | . | . | P | Polyproline II helix | trans | -79.2 | 129.1 | 174.8 | -175.6 | 178.1 | 169.2 | 87.1 | -0 | 109.5 | E599 | R597-E599 HydrophobicContact CG-CG 3.98Å; R597-E599 IonicContact CZ-OE1 2.89Å; R597-E599 IonicContact NE-OE1 2.71Å; R597-E599 PolarHBondContact NE-OE1 3.45Å |
| 598 | Y | 89.2 | Confident | 87.3 | Confident | 22 Ų | 22 | 34.5 Ų | 34.5 | 9% | 0.086 | 17% | 0.168 | C | C | . | . | trans | -102 | 105.4 | 172.9 | -166.7 | -101.5 | 0 | 0 | 0 | 108.9 | V224 P601 D604 L644 Y648 P651 | V224-Y598 HydrophobicContact CG2-CE1 4.3Å; Y598-P601 WeakPolarHBondContact OH-CA 3.26Å; Y598-P601 VanDerWaalsContact OH-CB 3.23Å; Y598-P601 WeakPolarHBondContact OH-CB 3.29Å; Y598-D604 PolarHBondContact OH-OD2 3.17Å; Y598-L644 HydrophobicContact CD1-CD1 3.91Å; Y598-L644 HydrophobicContact CD2-CD1 4.3Å; Y598-L644 HydrophobicContact CE1-CD1 4.12Å; Y598-L644 HydrophobicContact CG-CD1 3.98Å; Y598-Y648 AromaticContact CD2-CD1 3.89Å; Y598-Y648 HydrophobicContact CD2-CD1 3.89Å; Y598-Y648 HydrophobicContact CD2-CD2 4.01Å; Y598-Y648 AromaticContact CD2-CE1 3.95Å; Y598-Y648 HydrophobicContact CD2-CE1 3.95Å; Y598-Y648 HydrophobicContact CD2-CE2 4.04Å; Y598-Y648 AromaticContact CD2-CG 3.94Å; Y598-Y648 HydrophobicContact CD2-CG 3.94Å; Y598-Y648 HydrophobicContact CE2-CE2 4.49Å; Y598-Y648 HydrophobicContact CG-CD1 4.3Å; Y598-Y648 HydrophobicContact CG-CG 4.34Å; Y598-P651 HydrophobicContact CD1-CB 4.15Å; Y598-P651 HydrophobicContact CD1-CG 4.03Å | ||
| 599 | E | 81.3 | Confident | 88.1 | Confident | 126 Ų | 126 | 33.6 Ų | 33.6 | 59% | 0.589 | 16% | 0.161 | S | C | * | . | trans | -88.3 | -48.9 | -175.2 | -62.1 | -164.3 | 146.9 | 0 | 0 | 112.3 | R597 K654 | R597-E599 HydrophobicContact CG-CG 3.98Å; R597-E599 IonicContact CZ-OE1 2.89Å; R597-E599 IonicContact NE-OE1 2.71Å; R597-E599 PolarHBondContact NE-OE1 3.45Å; E599-K654 PolarHBondContact O-NZ 2.91Å | ||
| 600 | D | 84.7 | Confident | 88.6 | Confident | 21 Ų | 21 | 34 Ų | 34 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | trans | -157.5 | 154.6 | 178.3 | -83.8 | -31.2 | 0 | 0 | 0 | 110.7 | K223 N418 T602 K654 | K223-D600 VanDerWaalsContact CE-OD1 3.32Å; K223-D600 WeakPolarHBondContact CE-OD1 3.41Å; K223-D600 IonicContact NZ-OD1 3.5Å; K223-D600 PolarHBondContact NZ-OD1 3.33Å; K223-D600 IonicContact NZ-OD2 3.89Å; K223-D600 PolarHBondContact NZ-OD2 2.86Å; N418-D600 PolarHBondContact ND2-OD2 2.96Å; D600-T602 HydrophobicContact CB-CG2 3.92Å; D600-T602 PolarHBondContact O-N 2.87Å; D600-K654 VanDerWaalsContact CG-NZ 3.35Å; D600-K654 IonicContact OD1-NZ 3.71Å; D600-K654 PolarHBondContact OD1-NZ 2.88Å; D600-K654 IonicContact OD2-NZ 3.05Å; D600-K654 PolarHBondContact OD2-NZ 3.23Å | ||
| 601 | P | 89.5 | Confident | 89.1 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 27.4 | 177.8 | 30.8 | -37.9 | 0 | 0 | 0 | 114.5 | Y227 Y598 D603 D604 F605 | Y227-P601 HydrophobicContact CD2-CB 4.19Å; Y227-P601 HydrophobicContact CG-CB 4.14Å; Y598-P601 WeakPolarHBondContact OH-CA 3.26Å; Y598-P601 VanDerWaalsContact OH-CB 3.23Å; Y598-P601 WeakPolarHBondContact OH-CB 3.29Å; P601-D603 PolarHBondContact O-N 3.4Å; P601-D604 PolarHBondContact O-N 2.89Å; P601-F605 HydrophobicContact CB-CD2 3.93Å; P601-F605 HydrophobicContact CB-CE2 4.01Å; P601-F605 HydrophobicContact CG-CD2 3.88Å; P601-F605 HydrophobicContact CG-CE2 3.63Å; P601-F605 WeakPolarHBondContact O-CB 3.49Å; P601-F605 WeakPolarHBondContact O-CD2 3.33Å; P601-F605 PolarHBondContact O-N 3.05Å |
| 602 | T | 90.3 | Very high | 89.9 | Confident | 25 Ų | 25 | 30.2 Ų | 30.2 | 15% | 0.153 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66 | -42.6 | -170.7 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | V422 D600 L606 W662 | V422-T602 HydrophobicContact CG2-CG2 3.54Å; D600-T602 HydrophobicContact CB-CG2 3.92Å; D600-T602 PolarHBondContact O-N 2.87Å; T602-L606 WeakPolarHBondContact O-CB 3.4Å; T602-L606 PolarHBondContact O-N 3.43Å; T602-W662 WeakPolarHBondContact O-CZ2 3.24Å |
| 603 | D | 89.3 | Confident | 90.3 | Very high | 66 Ų | 66 | 29.2 Ų | 29.2 | 35% | 0.353 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -68.9 | -40.1 | -179.7 | -75.7 | -22.3 | 0 | 0 | 0 | 110.6 | K399 P601 L606 E607 | K399-D603 IonicContact NZ-OD1 3.45Å; P601-D603 PolarHBondContact O-N 3.4Å; D603-L606 PolarHBondContact O-N 3.49Å; D603-E607 PolarHBondContact O-N 2.89Å; D603-E607 VanDerWaalsContact O-N 3.1Å |
| 604 | D | 91.8 | Very high | 90.7 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.2 | -40.8 | 178.1 | -48.2 | -46.9 | 0 | 0 | 0 | 110.8 | Y227 Y598 P601 M608 K643 | Y227-D604 HydrophobicContact CE1-CB 4.38Å; Y227-D604 HydrophobicContact CE2-CB 3.7Å; Y227-D604 WeakPolarHBondContact OH-CB 3.45Å; Y598-D604 PolarHBondContact OH-OD2 3.17Å; P601-D604 PolarHBondContact O-N 2.89Å; D604-M608 WeakPolarHBondContact O-CG 3.38Å; D604-M608 PolarHBondContact O-N 3.41Å; D604-K643 IonicContact OD1-NZ 2.79Å; D604-K643 PolarHBondContact OD1-NZ 2.93Å |
| 605 | F | 95 | Very high | 91.3 | Very high | 8 Ų | 8 | 27.1 Ų | 27.1 | 4% | 0.035 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 172.2 | -87 | -64.9 | 0 | 0 | 0 | 112.9 | Y227 W230 P601 E607 M608 F609 I659 W662 | Y227-F605 AromaticContact CD2-CD1 3.85Å; Y227-F605 HydrophobicContact CD2-CD1 3.85Å; Y227-F605 AromaticContact CD2-CD2 3.87Å; Y227-F605 HydrophobicContact CD2-CD2 3.87Å; Y227-F605 AromaticContact CD2-CE1 3.7Å; Y227-F605 HydrophobicContact CD2-CE1 3.7Å; Y227-F605 AromaticContact CD2-CE2 3.71Å; Y227-F605 HydrophobicContact CD2-CE2 3.71Å; Y227-F605 AromaticContact CD2-CG 3.92Å; Y227-F605 HydrophobicContact CD2-CG 3.92Å; Y227-F605 AromaticContact CD2-CZ 3.62Å; Y227-F605 HydrophobicContact CD2-CZ 3.62Å; Y227-F605 HydrophobicContact CE2-CD1 4.29Å; Y227-F605 HydrophobicContact CE2-CG 4.31Å; Y227-F605 HydrophobicContact CG-CE2 4.26Å; Y227-F605 HydrophobicContact CG-CZ 4.17Å; W230-F605 HydrophobicContact CD2-CD1 4.42Å; W230-F605 AromaticContact CD2-CE1 3.98Å; W230-F605 HydrophobicContact CD2-CE1 3.98Å; W230-F605 AromaticContact CE3-CD1 3.72Å; W230-F605 HydrophobicContact CE3-CD1 3.72Å; W230-F605 AromaticContact CE3-CE1 3.51Å; W230-F605 HydrophobicContact CE3-CE1 3.51Å; W230-F605 HydrophobicContact CG-CE1 4.5Å; W230-F605 HydrophobicContact CH2-CD1 4.17Å; W230-F605 AromaticContact CZ3-CD1 3.56Å; W230-F605 HydrophobicContact CZ3-CD1 3.56Å; W230-F605 AromaticContact CZ3-CE1 3.88Å; W230-F605 HydrophobicContact CZ3-CE1 3.88Å; P601-F605 HydrophobicContact CB-CD2 3.93Å; P601-F605 HydrophobicContact CB-CE2 4.01Å; P601-F605 HydrophobicContact CG-CD2 3.88Å; P601-F605 HydrophobicContact CG-CE2 3.63Å; P601-F605 WeakPolarHBondContact O-CB 3.49Å; P601-F605 WeakPolarHBondContact O-CD2 3.33Å; P601-F605 PolarHBondContact O-N 3.05Å; F605-E607 VanDerWaalsContact C-N 3.32Å; F605-E607 PolarHBondContact O-N 3.03Å; F605-M608 PolarHBondContact O-N 3.44Å; F605-F609 VanDerWaalsContact O-CB 3.25Å; F605-F609 WeakPolarHBondContact O-CB 3.43Å; F605-F609 PolarHBondContact O-N 2.94Å; F605-I659 HydrophobicContact CE1-CB 4.03Å; F605-I659 HydrophobicContact CE1-CG2 3.85Å; F605-I659 HydrophobicContact CZ-CB 3.92Å; F605-I659 HydrophobicContact CZ-CG2 3.72Å; F605-W662 HydrophobicContact CB-CD2 3.57Å; F605-W662 HydrophobicContact CB-CE3 4.02Å; F605-W662 HydrophobicContact CB-CG 4.04Å; F605-W662 HydrophobicContact CB-CH2 3.99Å; F605-W662 HydrophobicContact CB-CZ2 3.51Å; F605-W662 HydrophobicContact CB-CZ3 4.21Å; F605-W662 HydrophobicContact CD1-CB 4.34Å; F605-W662 HydrophobicContact CD1-CD2 4.35Å; F605-W662 HydrophobicContact CD1-CG 4Å; F605-W662 AromaticContact CD2-CD1 3.59Å; F605-W662 HydrophobicContact CD2-CG 4.28Å; F605-W662 AromaticContact CD2-NE1 3.48Å; F605-W662 AromaticContact CE2-CD1 4Å; F605-W662 AromaticContact CG-CD1 3.64Å; F605-W662 AromaticContact CG-CD2 3.97Å; F605-W662 HydrophobicContact CG-CD2 3.97Å; F605-W662 AromaticContact CG-CE2 3.83Å; F605-W662 AromaticContact CG-CG 3.88Å; F605-W662 HydrophobicContact CG-CG 3.88Å; F605-W662 HydrophobicContact CG-CZ2 4.5Å; F605-W662 AromaticContact CG-NE1 3.61Å |
| 606 | L | 93.5 | Very high | 91.7 | Very high | 18 Ų | 18 | 25.5 Ų | 25.5 | 9% | 0.094 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -43.1 | -178.1 | -176.2 | 60.3 | 0 | 0 | 0 | 111.5 | I426 Q429 T602 D603 M608 F609 I610 W662 | I426-L606 HydrophobicContact CG1-CD1 4.31Å; Q429-L606 HydrophobicContact CB-CD1 4.03Å; Q429-L606 HydrophobicContact CB-CD2 4.33Å; Q429-L606 HydrophobicContact CG-CD1 3.97Å; Q429-L606 HydrophobicContact CG-CD2 4.05Å; Q429-L606 HydrophobicContact CG-CG 4.14Å; T602-L606 WeakPolarHBondContact O-CB 3.4Å; T602-L606 PolarHBondContact O-N 3.43Å; D603-L606 PolarHBondContact O-N 3.49Å; L606-M608 VanDerWaalsContact C-N 3.34Å; L606-M608 PolarHBondContact O-N 3.28Å; L606-F609 HydrophobicContact CD1-CD1 4.38Å; L606-F609 PolarHBondContact O-N 3.29Å; L606-I610 HydrophobicContact CG-CD1 4.43Å; L606-I610 WeakPolarHBondContact O-CG1 3.39Å; L606-I610 PolarHBondContact O-N 2.84Å; L606-I610 VanDerWaalsContact O-N 3.11Å; L606-W662 VanDerWaalsContact CA-CH2 3.49Å; L606-W662 HydrophobicContact CB-CH2 3.71Å; L606-W662 HydrophobicContact CB-CZ3 4.39Å; L606-W662 HydrophobicContact CD1-CH2 3.97Å; L606-W662 HydrophobicContact CD1-CZ3 4.23Å; L606-W662 HydrophobicContact CG-CH2 4.45Å |
| 607 | E | 91.7 | Very high | 92.1 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 4% | 0.042 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.9 | -48.7 | 175.7 | -177 | 159.9 | 169.8 | 0 | 0 | 111.4 | R461 R468 D603 F605 F609 I610 Q611 | R461-E607 PolarHBondContact NH2-O 2.87Å; R468-E607 IonicContact CZ-OE2 3.61Å; R468-E607 IonicContact NH1-OE2 3.92Å; R468-E607 PolarHBondContact NH1-OE2 2.88Å; R468-E607 IonicContact NH2-OE2 2.68Å; D603-E607 PolarHBondContact O-N 2.89Å; D603-E607 VanDerWaalsContact O-N 3.1Å; F605-E607 VanDerWaalsContact C-N 3.32Å; F605-E607 PolarHBondContact O-N 3.03Å; E607-F609 PolarHBondContact O-N 2.89Å; E607-I610 PolarHBondContact O-N 3.43Å; E607-Q611 PolarHBondContact O-N 2.98Å |
| 608 | M | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -70.8 | -31.7 | -179.2 | -67 | -48.9 | -48.7 | 0 | 0 | 113.3 | W230 L231 Y234 D604 F605 L606 Q611 F612 N633 E636 | W230-M608 HydrophobicContact CH2-CB 3.34Å; W230-M608 HydrophobicContact CH2-CG 4.41Å; W230-M608 HydrophobicContact CZ3-CB 3.46Å; W230-M608 VanDerWaalsContact CZ3-CB 3.46Å; W230-M608 HydrophobicContact CZ3-CG 4.1Å; L231-M608 HydrophobicContact CD1-CE 3.71Å; L231-M608 HydrophobicContact CD1-CG 3.96Å; L231-M608 HydrophobicContact CD1-SD 3.96Å; Y234-M608 HydrophobicContact CD1-CE 3.78Å; Y234-M608 HydrophobicContact CE1-CE 3.58Å; D604-M608 WeakPolarHBondContact O-CG 3.38Å; D604-M608 PolarHBondContact O-N 3.41Å; F605-M608 PolarHBondContact O-N 3.44Å; L606-M608 VanDerWaalsContact C-N 3.34Å; L606-M608 PolarHBondContact O-N 3.28Å; M608-Q611 PolarHBondContact O-N 3.27Å; M608-F612 PolarHBondContact O-N 3.44Å; M608-N633 WeakPolarHBondContact CE-OD1 3.05Å; M608-E636 HydrophobicContact SD-CG 4.01Å |
| 609 | F | 95.9 | Very high | 92.4 | Very high | 4 Ų | 4 | 15.2 Ų | 15.2 | 2% | 0.018 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 174.2 | 168.2 | -99.4 | 0 | 0 | 0 | 112.3 | I426 F430 F605 L606 E607 Q611 F612 G613 W662 A665 L666 V669 | I426-F609 HydrophobicContact CG2-CE1 3.66Å; I426-F609 HydrophobicContact CG2-CZ 3.65Å; F430-F609 HydrophobicContact CD2-CE1 4.2Å; F430-F609 HydrophobicContact CD2-CZ 4.24Å; F605-F609 VanDerWaalsContact O-CB 3.25Å; F605-F609 WeakPolarHBondContact O-CB 3.43Å; F605-F609 PolarHBondContact O-N 2.94Å; L606-F609 HydrophobicContact CD1-CD1 4.38Å; L606-F609 PolarHBondContact O-N 3.29Å; E607-F609 PolarHBondContact O-N 2.89Å; F609-Q611 VanDerWaalsContact C-N 3.32Å; F609-Q611 PolarHBondContact O-N 3.32Å; F609-F612 WeakPolarHBondContact O-CB 3.48Å; F609-F612 PolarHBondContact O-N 3.05Å; F609-G613 PolarHBondContact O-N 3.41Å; F609-W662 HydrophobicContact CB-CE3 4.17Å; F609-W662 HydrophobicContact CB-CZ3 3.87Å; F609-W662 HydrophobicContact CD1-CZ3 4.48Å; F609-W662 HydrophobicContact CG-CE3 4.4Å; F609-W662 HydrophobicContact CG-CZ3 4.09Å; F609-A665 HydrophobicContact CD2-CB 4.13Å; F609-A665 HydrophobicContact CE2-CB 3.65Å; F609-A665 HydrophobicContact CZ-CB 4.27Å; F609-L666 HydrophobicContact CD2-CD2 4.13Å; F609-V669 HydrophobicContact CD2-CG2 4.48Å; F609-V669 HydrophobicContact CE1-CG2 4.36Å; F609-V669 HydrophobicContact CE2-CB 4.19Å; F609-V669 HydrophobicContact CE2-CG2 3.34Å; F609-V669 HydrophobicContact CZ-CG2 3.27Å |
| 610 | I | 94.1 | Very high | 92.7 | Very high | 10 Ų | 10 | 9.6 Ų | 9.6 | 5% | 0.051 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 176.5 | -63.5 | 163.4 | 0 | 0 | 0 | 110.2 | Q429 F434 L606 E607 F612 G613 Y614 | Q429-I610 HydrophobicContact CG-CD1 3.46Å; Q429-I610 VanDerWaalsContact CG-CD1 3.46Å; Q429-I610 HydrophobicContact CG-CG1 4.18Å; F434-I610 HydrophobicContact CZ-CG2 4.16Å; F434-I610 WeakPolarHBondContact CZ-O 3.26Å; L606-I610 HydrophobicContact CG-CD1 4.43Å; L606-I610 WeakPolarHBondContact O-CG1 3.39Å; L606-I610 PolarHBondContact O-N 2.84Å; L606-I610 VanDerWaalsContact O-N 3.11Å; E607-I610 PolarHBondContact O-N 3.43Å; I610-F612 VanDerWaalsContact C-N 3.32Å; I610-F612 PolarHBondContact O-N 3.15Å; I610-G613 PolarHBondContact O-N 3.42Å; I610-G613 VanDerWaalsContact O-N 3.13Å; I610-Y614 HydrophobicContact CG2-CD2 3.98Å; I610-Y614 HydrophobicContact CG2-CE2 3.4Å; I610-Y614 VanDerWaalsContact CG2-CE2 3.4Å; I610-Y614 VanDerWaalsContact O-CD2 3.31Å; I610-Y614 WeakPolarHBondContact O-CD2 3.44Å; I610-Y614 PolarHBondContact O-N 3.02Å |
| 611 | Q | 93.9 | Very high | 92.9 | Very high | 8 Ų | 8 | 9 Ų | 9 | 4% | 0.037 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 175.9 | -171.5 | -177.1 | -59.7 | 0 | 0 | 111.9 | E607 M608 F609 G613 Y614 V615 A629 N632 N633 | E607-Q611 PolarHBondContact O-N 2.98Å; M608-Q611 PolarHBondContact O-N 3.27Å; F609-Q611 VanDerWaalsContact C-N 3.32Å; F609-Q611 PolarHBondContact O-N 3.32Å; Q611-G613 VanDerWaalsContact C-N 3.31Å; Q611-G613 PolarHBondContact O-N 2.99Å; Q611-Y614 PolarHBondContact O-N 3.04Å; Q611-V615 PolarHBondContact O-N 3.48Å; Q611-V615 VanDerWaalsContact O-N 3.14Å; Q611-A629 HydrophobicContact CG-CB 3.9Å; Q611-A629 VanDerWaalsContact NE2-CA 3.34Å; Q611-A629 PolarHBondContact NE2-O 3.46Å; Q611-A629 VanDerWaalsContact NE2-O 3.11Å; Q611-N632 PolarHBondContact OE1-ND2 2.96Å; Q611-N633 PolarHBondContact NE2-OD1 2.81Å |
| 612 | F | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -59.6 | -39.7 | 174 | 176.4 | -101.5 | 0 | 0 | 0 | 112.6 | Y234 W272 T273 Y276 L277 M608 F609 I610 Y614 V615 S616 L666 V669 | Y234-F612 AromaticContact CE2-CD2 3.77Å; Y234-F612 HydrophobicContact CE2-CD2 3.77Å; Y234-F612 VanDerWaalsContact OH-CA 3.29Å; Y234-F612 WeakPolarHBondContact OH-CA 3.16Å; Y234-F612 PolarHBondContact OH-N 2.97Å; W272-F612 HydrophobicContact CH2-CE2 4.37Å; T273-F612 HydrophobicContact CG2-CE2 4.25Å; T273-F612 HydrophobicContact CG2-CZ 3.66Å; Y276-F612 AromaticContact CD1-CE2 3.74Å; Y276-F612 HydrophobicContact CD1-CE2 3.74Å; Y276-F612 HydrophobicContact CD1-CZ 4.37Å; Y276-F612 HydrophobicContact CE1-CD2 4.11Å; Y276-F612 AromaticContact CE1-CE2 3.58Å; Y276-F612 HydrophobicContact CE1-CE2 3.58Å; Y276-F612 HydrophobicContact CE1-CZ 4.28Å; L277-F612 HydrophobicContact CD1-CZ 4.25Å; L277-F612 HydrophobicContact CD2-CZ 4.13Å; L277-F612 HydrophobicContact CG-CZ 4.29Å; M608-F612 PolarHBondContact O-N 3.44Å; F609-F612 WeakPolarHBondContact O-CB 3.48Å; F609-F612 PolarHBondContact O-N 3.05Å; I610-F612 VanDerWaalsContact C-N 3.32Å; I610-F612 PolarHBondContact O-N 3.15Å; F612-Y614 PolarHBondContact O-N 2.84Å; F612-V615 PolarHBondContact O-N 3.49Å; F612-S616 VanDerWaalsContact O-CB 3.32Å; F612-S616 WeakPolarHBondContact O-CB 3.28Å; F612-S616 PolarHBondContact O-N 3.01Å; F612-S616 PolarHBondContact O-OG 2.99Å; F612-L666 HydrophobicContact CB-CD2 4.15Å; F612-L666 HydrophobicContact CD1-CD2 3.35Å; F612-L666 HydrophobicContact CD2-CD2 4.43Å; F612-L666 HydrophobicContact CE1-CB 4.38Å; F612-L666 HydrophobicContact CE1-CD2 3.73Å; F612-L666 HydrophobicContact CG-CD2 3.72Å; F612-L666 HydrophobicContact CZ-CD2 4.41Å; F612-V669 HydrophobicContact CD1-CG1 3.75Å; F612-V669 HydrophobicContact CE1-CB 4.37Å; F612-V669 HydrophobicContact CE1-CG1 3.77Å |
| 613 | G | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F609 I610 Q611 V615 S616 M617 | F609-G613 PolarHBondContact O-N 3.41Å; I610-G613 PolarHBondContact O-N 3.42Å; I610-G613 VanDerWaalsContact O-N 3.13Å; Q611-G613 VanDerWaalsContact C-N 3.31Å; Q611-G613 PolarHBondContact O-N 2.99Å; G613-V615 PolarHBondContact O-N 3.31Å; G613-S616 PolarHBondContact O-OG 3.49Å; G613-M617 VanDerWaalsContact O-CB 3.26Å; G613-M617 WeakPolarHBondContact O-CB 3.3Å; G613-M617 VanDerWaalsContact O-CG 3.25Å; G613-M617 WeakPolarHBondContact O-CG 3.24Å; G613-M617 PolarHBondContact O-N 3.14Å |
| 614 | Y | 94.6 | Very high | 93 | Very high | 10 Ų | 10 | 7.9 Ų | 7.9 | 4% | 0.039 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -61.5 | -45.5 | 176.9 | -71.9 | -58.9 | 0 | 0 | 0 | 112.9 | S433 F434 L437 L454 L457 L458 I610 Q611 F612 F618 | S433-Y614 PolarHBondContact O-OH 3.22Å; F434-Y614 HydrophobicContact CD1-CD1 4.18Å; F434-Y614 AromaticContact CD1-CE1 3.87Å; F434-Y614 HydrophobicContact CD1-CE1 3.87Å; F434-Y614 AromaticContact CE1-CD1 3.56Å; F434-Y614 HydrophobicContact CE1-CD1 3.56Å; F434-Y614 HydrophobicContact CE1-CD2 4.37Å; F434-Y614 AromaticContact CE1-CE1 3.53Å; F434-Y614 HydrophobicContact CE1-CE1 3.53Å; F434-Y614 HydrophobicContact CE1-CE2 4.41Å; F434-Y614 AromaticContact CE1-CG 3.96Å; F434-Y614 HydrophobicContact CE1-CG 3.96Å; F434-Y614 AromaticContact CE1-CZ 3.97Å; L437-Y614 HydrophobicContact CD1-CD1 4.08Å; L437-Y614 HydrophobicContact CD1-CE1 3.55Å; L454-Y614 HydrophobicContact CD2-CD1 4.29Å; L457-Y614 HydrophobicContact CD2-CE1 3.93Å; L457-Y614 WeakPolarHBondContact CD2-OH 3.39Å; L458-Y614 HydrophobicContact CD2-CD1 4.3Å; L458-Y614 HydrophobicContact CD2-CD2 3.71Å; L458-Y614 HydrophobicContact CD2-CE2 4.26Å; L458-Y614 HydrophobicContact CD2-CG 3.75Å; I610-Y614 HydrophobicContact CG2-CD2 3.98Å; I610-Y614 HydrophobicContact CG2-CE2 3.4Å; I610-Y614 VanDerWaalsContact CG2-CE2 3.4Å; I610-Y614 VanDerWaalsContact O-CD2 3.31Å; I610-Y614 WeakPolarHBondContact O-CD2 3.44Å; I610-Y614 PolarHBondContact O-N 3.02Å; Q611-Y614 PolarHBondContact O-N 3.04Å; F612-Y614 PolarHBondContact O-N 2.84Å; Y614-F618 HydrophobicContact CD1-CD2 4.19Å; Y614-F618 HydrophobicContact CD1-CE2 4.49Å; Y614-F618 WeakPolarHBondContact O-CB 3.1Å; Y614-F618 PolarHBondContact O-N 2.97Å |
| 615 | V | 95.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.006 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -68.2 | -50 | -179.8 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | L238 N269 W272 Q611 F612 G613 M617 T619 A629 | L238-V615 HydrophobicContact CD2-CG1 4.07Å; L238-V615 HydrophobicContact CD2-CG2 4.28Å; N269-V615 PolarHBondContact ND2-O 3.38Å; N269-V615 VanDerWaalsContact ND2-O 3.14Å; N269-V615 PolarHBondContact OD1-O 2.99Å; W272-V615 HydrophobicContact CH2-CG1 3.79Å; W272-V615 HydrophobicContact CZ3-CG1 3.7Å; Q611-V615 PolarHBondContact O-N 3.48Å; Q611-V615 VanDerWaalsContact O-N 3.14Å; F612-V615 PolarHBondContact O-N 3.49Å; G613-V615 PolarHBondContact O-N 3.31Å; V615-M617 VanDerWaalsContact C-N 3.34Å; V615-M617 PolarHBondContact O-N 3.17Å; V615-T619 WeakPolarHBondContact O-CB 3.33Å; V615-T619 PolarHBondContact O-N 3.41Å; V615-T619 PolarHBondContact O-OG1 3.47Å; V615-A629 HydrophobicContact CG2-CB 3.64Å |
| 616 | S | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -65.8 | -32.4 | -177.4 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | N269 F612 G613 N677 | N269-S616 PolarHBondContact ND2-O 3.22Å; F612-S616 VanDerWaalsContact O-CB 3.32Å; F612-S616 WeakPolarHBondContact O-CB 3.28Å; F612-S616 PolarHBondContact O-N 3.01Å; F612-S616 PolarHBondContact O-OG 2.99Å; G613-S616 PolarHBondContact O-OG 3.49Å; S616-N677 PolarHBondContact O-ND2 2.89Å |
| 617 | M | 94.7 | Very high | 93 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -95.1 | -33.2 | -176.4 | -59.5 | -170.5 | -168.6 | 0 | 0 | 114.6 | F430 F438 G613 V615 V669 I672 A673 V676 | F430-M617 HydrophobicContact CE2-CE 3.67Å; F430-M617 HydrophobicContact CZ-CE 3.75Å; F430-M617 HydrophobicContact CZ-SD 4.45Å; F438-M617 HydrophobicContact CE1-SD 4.17Å; F438-M617 HydrophobicContact CZ-SD 3.84Å; G613-M617 VanDerWaalsContact O-CB 3.26Å; G613-M617 WeakPolarHBondContact O-CB 3.3Å; G613-M617 VanDerWaalsContact O-CG 3.25Å; G613-M617 WeakPolarHBondContact O-CG 3.24Å; G613-M617 PolarHBondContact O-N 3.14Å; V615-M617 VanDerWaalsContact C-N 3.34Å; V615-M617 PolarHBondContact O-N 3.17Å; M617-V669 HydrophobicContact CE-CB 4.4Å; M617-V669 HydrophobicContact CE-CG1 3.72Å; M617-V669 HydrophobicContact CE-CG2 4.45Å; M617-I672 HydrophobicContact CE-CB 3.84Å; M617-I672 HydrophobicContact CE-CG2 3.55Å; M617-I672 HydrophobicContact SD-CG2 4.04Å; M617-A673 HydrophobicContact CG-CB 3.89Å; M617-V676 HydrophobicContact CB-CB 4.48Å; M617-V676 HydrophobicContact CB-CG1 4.09Å; M617-V676 HydrophobicContact SD-CG2 4.19Å |
| 618 | F | 92.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 9.9 Ų | 9.9 | 1% | 0.009 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -121.5 | 4.8 | -164.9 | -58.9 | -76.2 | 0 | 0 | 0 | 115.6 | F434 L437 F438 L454 Y614 G620 I621 F622 V676 L680 | F434-F618 AromaticContact CD1-CE2 3.82Å; F434-F618 HydrophobicContact CD1-CE2 3.82Å; F434-F618 HydrophobicContact CE1-CE2 4.22Å; L437-F618 HydrophobicContact CB-CE1 4.2Å; L437-F618 HydrophobicContact CB-CZ 3.82Å; L437-F618 HydrophobicContact CD1-CD2 4.33Å; L437-F618 HydrophobicContact CD1-CE2 3.82Å; L437-F618 HydrophobicContact CD1-CZ 3.94Å; F438-F618 HydrophobicContact CD1-CZ 4.07Å; F438-F618 AromaticContact CE1-CZ 3.73Å; F438-F618 HydrophobicContact CE1-CZ 3.73Å; L454-F618 HydrophobicContact CD1-CB 3.79Å; L454-F618 HydrophobicContact CD1-CD1 4.06Å; L454-F618 HydrophobicContact CD1-CG 4.08Å; L454-F618 HydrophobicContact CD2-CB 3.99Å; L454-F618 HydrophobicContact CD2-CD1 4.41Å; L454-F618 HydrophobicContact CD2-CD2 4.16Å; L454-F618 HydrophobicContact CD2-CG 3.94Å; Y614-F618 HydrophobicContact CD1-CD2 4.19Å; Y614-F618 HydrophobicContact CD1-CE2 4.49Å; Y614-F618 WeakPolarHBondContact O-CB 3.1Å; Y614-F618 PolarHBondContact O-N 2.97Å; F618-G620 PolarHBondContact O-N 2.7Å; F618-G620 VanDerWaalsContact O-N 3.17Å; F618-I621 HydrophobicContact CD1-CD1 3.87Å; F618-I621 PolarHBondContact O-N 3.17Å; F618-F622 PolarHBondContact O-N 3.45Å; F618-V676 HydrophobicContact CE1-CG1 4.39Å; F618-L680 HydrophobicContact CD1-CD1 4.48Å |
| 619 | T | 90 | Very high | 93.1 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.006 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30 | 178.7 | -65.6 | 0 | 0 | 0 | 0 | 113 | M265 V615 I621 F622 P623 | M265-T619 HydrophobicContact CE-CG2 3.56Å; V615-T619 WeakPolarHBondContact O-CB 3.33Å; V615-T619 PolarHBondContact O-N 3.41Å; V615-T619 PolarHBondContact O-OG1 3.47Å; T619-I621 VanDerWaalsContact C-N 3.33Å; T619-I621 PolarHBondContact O-N 3.24Å; T619-F622 CarbonylContact O-C 3.23Å; T619-F622 VanDerWaalsContact O-C 3.23Å; T619-P623 VanDerWaalsContact O-CA 3.3Å; T619-P623 WeakPolarHBondContact O-CA 3.17Å |
| 620 | G | 87.2 | Confident | 93 | Very high | 7 Ų | 7 | 12.2 Ų | 12.2 | 7% | 0.072 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -40.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y261 Y262 F618 | Y261-G620 WeakPolarHBondContact CE1-O 3.33Å; Y261-G620 PolarHBondContact OH-O 3.24Å; Y262-G620 VanDerWaalsContact CD1-O 3.22Å; Y262-G620 WeakPolarHBondContact CD1-O 3.49Å; Y262-G620 WeakPolarHBondContact CE1-O 3.29Å; F618-G620 PolarHBondContact O-N 2.7Å; F618-G620 VanDerWaalsContact O-N 3.17Å |
| 621 | I | 89.2 | Confident | 92.9 | Very high | 10 Ų | 10 | 16.8 Ų | 16.8 | 5% | 0.051 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -39.4 | -179.3 | -63.3 | 147.6 | 0 | 0 | 0 | 111.2 | L450 R451 L454 F618 T619 L680 | L450-I621 HydrophobicContact CD2-CD1 3.32Å; L450-I621 HydrophobicContact CD2-CG1 4.3Å; L450-I621 HydrophobicContact CG-CD1 4.1Å; L450-I621 HydrophobicContact CG-CG2 4.47Å; R451-I621 HydrophobicContact CB-CG2 3.69Å; R451-I621 HydrophobicContact CG-CG2 4.23Å; L454-I621 HydrophobicContact CD1-CB 4.13Å; L454-I621 HydrophobicContact CD1-CD1 4.46Å; L454-I621 HydrophobicContact CD1-CG2 3.83Å; F618-I621 HydrophobicContact CD1-CD1 3.87Å; F618-I621 PolarHBondContact O-N 3.17Å; T619-I621 VanDerWaalsContact C-N 3.33Å; T619-I621 PolarHBondContact O-N 3.24Å; I621-L680 HydrophobicContact CD1-CD1 3.43Å; I621-L680 VanDerWaalsContact CD1-CD1 3.43Å; I621-L680 HydrophobicContact CD1-CD2 3.9Å; I621-L680 HydrophobicContact CD1-CG 4.25Å; I621-L680 HydrophobicContact CG1-CD1 4.38Å |
| 622 | F | 89.8 | Confident | 92.7 | Very high | 22 Ų | 22 | 16.4 Ų | 16.4 | 10% | 0.096 | 9% | 0.085 | C | C | . | . | trans | -126.4 | 88.5 | 179.4 | -178.7 | -122.2 | 0 | 0 | 0 | 110.8 | L454 V455 L458 F618 T619 L624 A625 L628 | L454-F622 HydrophobicContact CD1-CB 4.49Å; V455-F622 HydrophobicContact CG2-CD2 3.63Å; V455-F622 HydrophobicContact CG2-CE2 3.57Å; V455-F622 HydrophobicContact CG2-CG 4.35Å; V455-F622 HydrophobicContact CG2-CZ 4.23Å; L458-F622 HydrophobicContact CD1-CD1 3.52Å; L458-F622 HydrophobicContact CD1-CE1 3.7Å; F618-F622 PolarHBondContact O-N 3.45Å; T619-F622 CarbonylContact O-C 3.23Å; T619-F622 VanDerWaalsContact O-C 3.23Å; F622-L624 HydrophobicContact CE1-CB 4.15Å; F622-L624 HydrophobicContact CE2-CB 3.78Å; F622-L624 HydrophobicContact CE2-CD1 4.44Å; F622-L624 HydrophobicContact CE2-CG 4.5Å; F622-L624 HydrophobicContact CZ-CB 3.58Å; F622-L624 PolarHBondContact O-N 3.43Å; F622-A625 HydrophobicContact CD1-CB 3.75Å; F622-A625 HydrophobicContact CE1-CB 4.3Å; F622-A625 WeakPolarHBondContact O-CB 3.13Å; F622-A625 PolarHBondContact O-N 2.91Å; F622-L628 HydrophobicContact CE1-CD1 3.78Å; F622-L628 HydrophobicContact CZ-CD1 3.92Å | ||
| 623 | P | 90.3 | Very high | 92.5 | Very high | 16 Ų | 16 | 16.4 Ų | 16.4 | 10% | 0.104 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -25.6 | -174.2 | 17.4 | -28.3 | 0 | 0 | 0 | 114.4 | G245 V248 Y261 M265 T619 A625 | G245-P623 WeakPolarHBondContact CA-O 3.3Å; V248-P623 HydrophobicContact CB-CB 4.35Å; V248-P623 HydrophobicContact CG1-CB 3.79Å; V248-P623 HydrophobicContact CG1-CG 3.78Å; Y261-P623 WeakPolarHBondContact OH-CB 3.36Å; Y261-P623 VanDerWaalsContact OH-CD 3.32Å; Y261-P623 WeakPolarHBondContact OH-CD 3.13Å; Y261-P623 WeakPolarHBondContact OH-CG 3.42Å; M265-P623 HydrophobicContact CE-CB 4.37Å; T619-P623 VanDerWaalsContact O-CA 3.3Å; T619-P623 WeakPolarHBondContact O-CA 3.17Å; P623-A625 PolarHBondContact O-N 3.22Å |
| 624 | L | 92 | Very high | 92.2 | Very high | 32 Ų | 32 | 19.5 Ų | 19.5 | 17% | 0.168 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -1 | 176.2 | -64.9 | 177.7 | 0 | 0 | 0 | 113.7 | L246 W249 F622 G626 L627 L628 | L246-L624 HydrophobicContact CD1-CD2 4.23Å; W249-L624 HydrophobicContact CB-CD2 3.85Å; W249-L624 HydrophobicContact CB-CG 4.13Å; W249-L624 HydrophobicContact CD2-CD1 4.01Å; W249-L624 HydrophobicContact CD2-CD2 4.27Å; W249-L624 HydrophobicContact CD2-CG 4.46Å; W249-L624 HydrophobicContact CG-CD1 3.86Å; W249-L624 HydrophobicContact CG-CD2 3.93Å; W249-L624 HydrophobicContact CG-CG 3.93Å; F622-L624 HydrophobicContact CE1-CB 4.15Å; F622-L624 HydrophobicContact CE2-CB 3.78Å; F622-L624 HydrophobicContact CE2-CD1 4.44Å; F622-L624 HydrophobicContact CE2-CG 4.5Å; F622-L624 HydrophobicContact CZ-CB 3.58Å; F622-L624 PolarHBondContact O-N 3.43Å; L624-G626 VanDerWaalsContact C-N 3.29Å; L624-G626 PolarHBondContact O-N 3.45Å; L624-L627 HydrophobicContact CD2-CD2 4.23Å; L624-L627 PolarHBondContact O-N 3.47Å; L624-L627 VanDerWaalsContact O-N 3.14Å; L624-L628 PolarHBondContact O-N 2.93Å; L624-L628 VanDerWaalsContact O-N 3.08Å |
| 625 | A | 92.7 | Very high | 91.9 | Very high | 5 Ų | 5 | 22 Ų | 22 | 4% | 0.041 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -54.1 | -45.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L458 F622 P623 L627 L628 A629 | L458-A625 HydrophobicContact CD1-CB 4.3Å; F622-A625 HydrophobicContact CD1-CB 3.75Å; F622-A625 HydrophobicContact CE1-CB 4.3Å; F622-A625 WeakPolarHBondContact O-CB 3.13Å; F622-A625 PolarHBondContact O-N 2.91Å; P623-A625 PolarHBondContact O-N 3.22Å; A625-L627 VanDerWaalsContact C-N 3.34Å; A625-L627 PolarHBondContact O-N 3.31Å; A625-L628 PolarHBondContact O-N 3.3Å; A625-A629 VanDerWaalsContact O-CB 3.27Å; A625-A629 WeakPolarHBondContact O-CB 3.32Å; A625-A629 PolarHBondContact O-N 3.38Å |
| 626 | G | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S242 L624 A629 F630 | S242-G626 PolarHBondContact OG-O 3.36Å; L624-G626 VanDerWaalsContact C-N 3.29Å; L624-G626 PolarHBondContact O-N 3.45Å; G626-A629 WeakPolarHBondContact O-CB 3.33Å; G626-A629 PolarHBondContact O-N 2.96Å; G626-F630 WeakPolarHBondContact O-CB 3.43Å; G626-F630 PolarHBondContact O-N 3.29Å |
| 627 | L | 94 | Very high | 91.4 | Very high | 45 Ų | 45 | 22.6 Ų | 22.6 | 24% | 0.236 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.2 | -43.8 | -179.6 | -178.2 | 64.7 | 0 | 0 | 0 | 112.1 | S242 L246 L624 A625 F630 M631 | S242-L627 WeakPolarHBondContact OG-CA 3.43Å; S242-L627 PolarHBondContact OG-N 2.79Å; L246-L627 HydrophobicContact CD1-CD2 4.19Å; L624-L627 HydrophobicContact CD2-CD2 4.23Å; L624-L627 PolarHBondContact O-N 3.47Å; L624-L627 VanDerWaalsContact O-N 3.14Å; A625-L627 VanDerWaalsContact C-N 3.34Å; A625-L627 PolarHBondContact O-N 3.31Å; L627-F630 PolarHBondContact O-N 3.47Å; L627-M631 WeakPolarHBondContact O-CG 3.18Å; L627-M631 PolarHBondContact O-N 3.5Å |
| 628 | L | 93.4 | Very high | 91.1 | Very high | 35 Ų | 35 | 24.2 Ų | 24.2 | 18% | 0.183 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | 174.8 | -66.2 | -175 | 0 | 0 | 0 | 110.8 | L458 L459 Q462 F622 L624 A625 F630 M631 N632 | L458-L628 HydrophobicContact CB-CD1 4.25Å; L459-L628 HydrophobicContact CD2-CD1 4.17Å; Q462-L628 PolarHBondContact OE1-O 2.87Å; F622-L628 HydrophobicContact CE1-CD1 3.78Å; F622-L628 HydrophobicContact CZ-CD1 3.92Å; L624-L628 PolarHBondContact O-N 2.93Å; L624-L628 VanDerWaalsContact O-N 3.08Å; A625-L628 PolarHBondContact O-N 3.3Å; L628-F630 VanDerWaalsContact C-N 3.32Å; L628-F630 PolarHBondContact O-N 3.38Å; L628-M631 PolarHBondContact O-N 3.32Å; L628-N632 PolarHBondContact O-N 3.46Å |
| 629 | A | 93.4 | Very high | 90.8 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 4% | 0.041 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.5 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L238 Q611 V615 A625 G626 N632 N633 | L238-A629 HydrophobicContact CD1-CB 3.94Å; L238-A629 HydrophobicContact CD2-CB 4.22Å; Q611-A629 HydrophobicContact CG-CB 3.9Å; Q611-A629 VanDerWaalsContact NE2-CA 3.34Å; Q611-A629 PolarHBondContact NE2-O 3.46Å; Q611-A629 VanDerWaalsContact NE2-O 3.11Å; V615-A629 HydrophobicContact CG2-CB 3.64Å; A625-A629 VanDerWaalsContact O-CB 3.27Å; A625-A629 WeakPolarHBondContact O-CB 3.32Å; A625-A629 PolarHBondContact O-N 3.38Å; G626-A629 WeakPolarHBondContact O-CB 3.33Å; G626-A629 PolarHBondContact O-N 2.96Å; A629-N632 WeakPolarHBondContact O-CB 3.3Å; A629-N632 PolarHBondContact O-N 2.84Å; A629-N633 VanDerWaalsContact O-CG 3.31Å; A629-N633 PolarHBondContact O-N 3.41Å; A629-N633 VanDerWaalsContact O-N 3.09Å; A629-N633 PolarHBondContact O-OD1 3.46Å |
| 630 | F | 94 | Very high | 90.9 | Very high | 47 Ų | 47 | 24.7 Ų | 24.7 | 21% | 0.206 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -45.4 | 177 | 175.1 | -105.5 | 0 | 0 | 0 | 112.1 | T235 L238 I239 S242 G626 L627 L628 N632 N633 I634 | T235-F630 HydrophobicContact CG2-CD2 3.9Å; T235-F630 HydrophobicContact CG2-CE2 3.87Å; T235-F630 WeakPolarHBondContact O-CD2 3.46Å; L238-F630 HydrophobicContact CB-CB 4.12Å; L238-F630 HydrophobicContact CB-CD2 4.27Å; I239-F630 HydrophobicContact CD1-CE2 4.19Å; I239-F630 HydrophobicContact CG1-CD2 4.08Å; I239-F630 HydrophobicContact CG1-CE2 3.5Å; I239-F630 HydrophobicContact CG1-CZ 4.03Å; S242-F630 WeakPolarHBondContact OG-CB 3.28Å; G626-F630 WeakPolarHBondContact O-CB 3.43Å; G626-F630 PolarHBondContact O-N 3.29Å; L627-F630 PolarHBondContact O-N 3.47Å; L628-F630 VanDerWaalsContact C-N 3.32Å; L628-F630 PolarHBondContact O-N 3.38Å; F630-N632 VanDerWaalsContact C-N 3.34Å; F630-N633 PolarHBondContact O-N 3.05Å; F630-I634 HydrophobicContact CD1-CD1 4.13Å; F630-I634 HydrophobicContact CE1-CD1 3.59Å; F630-I634 HydrophobicContact CE2-CD1 4.34Å; F630-I634 HydrophobicContact CZ-CD1 3.71Å; F630-I634 HydrophobicContact CZ-CG1 4.49Å; F630-I634 PolarHBondContact O-N 3.17Å |
| 631 | M | 91.4 | Very high | 91 | Very high | 106 Ų | 106 | 24.4 Ų | 24.4 | 52% | 0.522 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 176.3 | -70.4 | 179.2 | 65.2 | 0 | 0 | 111.9 | L627 L628 N633 I634 | L627-M631 WeakPolarHBondContact O-CG 3.18Å; L627-M631 PolarHBondContact O-N 3.5Å; L628-M631 PolarHBondContact O-N 3.32Å; M631-N633 PolarHBondContact O-N 3.11Å; M631-I634 PolarHBondContact O-N 2.95Å |
| 632 | N | 90.2 | Very high | 91 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.6 | -51.4 | 175.2 | -159.5 | 38.2 | 0 | 0 | 0 | 110.8 | Q462 Q611 L628 A629 F630 I634 I635 E636 | Q462-N632 PolarHBondContact NE2-OD1 3.34Å; Q462-N632 PolarHBondContact OE1-OD1 2.88Å; Q611-N632 PolarHBondContact OE1-ND2 2.96Å; L628-N632 PolarHBondContact O-N 3.46Å; A629-N632 WeakPolarHBondContact O-CB 3.3Å; A629-N632 PolarHBondContact O-N 2.84Å; F630-N632 VanDerWaalsContact C-N 3.34Å; N632-I634 VanDerWaalsContact C-N 3.27Å; N632-I634 PolarHBondContact O-N 3.06Å; N632-I635 WeakPolarHBondContact O-CB 3.45Å; N632-I635 PolarHBondContact O-N 3.29Å; N632-E636 WeakPolarHBondContact O-CB 3.35Å; N632-E636 PolarHBondContact O-N 3.43Å |
| 633 | N | 92 | Very high | 90.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.5 | -31.8 | -174.1 | -69.7 | 15.7 | 0 | 0 | 0 | 113.6 | Y234 T235 L238 M608 Q611 A629 F630 M631 I635 E636 I637 | Y234-N633 VanDerWaalsContact CD1-ND2 3.32Å; Y234-N633 WeakPolarHBondContact CD1-ND2 3.41Å; T235-N633 HydrophobicContact CG2-CB 3.83Å; T235-N633 WeakPolarHBondContact OG1-CB 3.22Å; T235-N633 PolarHBondContact OG1-ND2 3.19Å; T235-N633 VanDerWaalsContact OG1-ND2 3.07Å; L238-N633 WeakPolarHBondContact CD1-ND2 3.15Å; M608-N633 WeakPolarHBondContact CE-OD1 3.05Å; Q611-N633 PolarHBondContact NE2-OD1 2.81Å; A629-N633 VanDerWaalsContact O-CG 3.31Å; A629-N633 PolarHBondContact O-N 3.41Å; A629-N633 VanDerWaalsContact O-N 3.09Å; A629-N633 PolarHBondContact O-OD1 3.46Å; F630-N633 PolarHBondContact O-N 3.05Å; M631-N633 PolarHBondContact O-N 3.11Å; N633-I635 VanDerWaalsContact C-N 3.28Å; N633-I635 PolarHBondContact O-N 2.92Å; N633-E636 PolarHBondContact O-N 3.36Å; N633-I637 WeakPolarHBondContact O-CB 3.44Å; N633-I637 WeakPolarHBondContact O-CD1 3.22Å; N633-I637 VanDerWaalsContact O-CG1 3.22Å; N633-I637 WeakPolarHBondContact O-CG1 3.35Å; N633-I637 PolarHBondContact O-N 3.1Å |
| 634 | I | 90 | Very high | 90.9 | Very high | 65 Ų | 65 | 26.2 Ų | 26.2 | 33% | 0.333 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -62.7 | -41 | 176.2 | -68.6 | 170.7 | 0 | 0 | 0 | 110.3 | T235 F630 M631 N632 | T235-I634 HydrophobicContact CG2-CG1 4.39Å; F630-I634 HydrophobicContact CD1-CD1 4.13Å; F630-I634 HydrophobicContact CE1-CD1 3.59Å; F630-I634 HydrophobicContact CE2-CD1 4.34Å; F630-I634 HydrophobicContact CZ-CD1 3.71Å; F630-I634 HydrophobicContact CZ-CG1 4.49Å; F630-I634 PolarHBondContact O-N 3.17Å; M631-I634 PolarHBondContact O-N 2.95Å; N632-I634 VanDerWaalsContact C-N 3.27Å; N632-I634 PolarHBondContact O-N 3.06Å |
| 635 | I | 87.3 | Confident | 90.7 | Very high | 61 Ų | 61 | 25.1 Ų | 25.1 | 31% | 0.313 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -70.6 | -45.8 | 176 | -61.3 | 172.9 | 0 | 0 | 0 | 109.2 | N632 N633 I637 R638 G639 | N632-I635 WeakPolarHBondContact O-CB 3.45Å; N632-I635 PolarHBondContact O-N 3.29Å; N633-I635 VanDerWaalsContact C-N 3.28Å; N633-I635 PolarHBondContact O-N 2.92Å; I635-I637 PolarHBondContact O-N 3.07Å; I635-R638 PolarHBondContact O-N 2.96Å; I635-R638 VanDerWaalsContact O-N 3.16Å; I635-G639 PolarHBondContact O-N 3.1Å |
| 636 | E | 89.9 | Confident | 90.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.6 | -53.6 | -178.3 | -162.4 | 66.9 | -169.6 | 0 | 0 | 112.3 | L231 E469 M608 N632 N633 R638 G639 D640 | L231-E636 HydrophobicContact CD2-CG 4.31Å; E469-E636 WeakPolarHBondContact CG-OE2 2.93Å; M608-E636 HydrophobicContact SD-CG 4.01Å; N632-E636 WeakPolarHBondContact O-CB 3.35Å; N632-E636 PolarHBondContact O-N 3.43Å; N633-E636 PolarHBondContact O-N 3.36Å; E636-R638 PolarHBondContact O-N 3.2Å; E636-G639 PolarHBondContact O-N 3.3Å; E636-D640 WeakPolarHBondContact O-CB 3.31Å; E636-D640 PolarHBondContact O-N 2.88Å |
| 637 | I | 91 | Very high | 89.8 | Confident | 13 Ų | 13 | 27.5 Ų | 27.5 | 7% | 0.067 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -51.3 | -38.8 | 179.8 | -73.1 | 166.1 | 0 | 0 | 0 | 111.4 | Q211 L231 T235 N633 I635 A641 | Q211-I637 HydrophobicContact CG-CG2 4.1Å; L231-I637 HydrophobicContact CD2-CB 4.3Å; L231-I637 HydrophobicContact CD2-CG1 3.42Å; L231-I637 VanDerWaalsContact CD2-CG1 3.42Å; L231-I637 HydrophobicContact CG-CD1 4.21Å; L231-I637 HydrophobicContact CG-CG1 3.54Å; T235-I637 HydrophobicContact CG2-CD1 4.34Å; N633-I637 WeakPolarHBondContact O-CB 3.44Å; N633-I637 WeakPolarHBondContact O-CD1 3.22Å; N633-I637 VanDerWaalsContact O-CG1 3.22Å; N633-I637 WeakPolarHBondContact O-CG1 3.35Å; N633-I637 PolarHBondContact O-N 3.1Å; I635-I637 PolarHBondContact O-N 3.07Å; I637-A641 WeakPolarHBondContact O-CB 3.4Å; I637-A641 PolarHBondContact O-N 3.28Å |
| 638 | R | 88.4 | Confident | 89.6 | Confident | 35 Ų | 35 | 27.8 Ų | 27.8 | 13% | 0.132 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -85.8 | -37.3 | -178.7 | -56.5 | -57.8 | 180 | -165.7 | -7.4 | 112.4 | W203 V208 I635 E636 D640 A641 Y642 | W203-R638 PolarHBondContact O-NH1 3.22Å; V208-R638 PolarHBondContact O-NH2 3.09Å; I635-R638 PolarHBondContact O-N 2.96Å; I635-R638 VanDerWaalsContact O-N 3.16Å; E636-R638 PolarHBondContact O-N 3.2Å; R638-D640 VanDerWaalsContact C-N 3.34Å; R638-A641 PolarHBondContact O-N 3.38Å; R638-Y642 WeakPolarHBondContact O-CB 3.47Å; R638-Y642 PolarHBondContact O-N 3.45Å |
| 639 | G | 87.7 | Confident | 89.5 | Confident | 10 Ų | 10 | 26.3 Ų | 26.3 | 10% | 0.103 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.6 | -51.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | I635 E636 Y642 K643 | I635-G639 PolarHBondContact O-N 3.1Å; E636-G639 PolarHBondContact O-N 3.3Å; G639-Y642 PolarHBondContact O-N 3.45Å; G639-K643 WeakPolarHBondContact O-CB 3.48Å; G639-K643 PolarHBondContact O-N 3.23Å |
| 640 | D | 90.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.016 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.4 | -45.3 | 178.8 | -69.6 | -29.6 | 0 | 0 | 0 | 113.2 | Y227 F228 E636 R638 Y642 K643 L644 | Y227-D640 PolarHBondContact OH-OD2 3.34Å; F228-D640 HydrophobicContact CE1-CB 3.7Å; F228-D640 HydrophobicContact CZ-CB 3.67Å; E636-D640 WeakPolarHBondContact O-CB 3.31Å; E636-D640 PolarHBondContact O-N 2.88Å; R638-D640 VanDerWaalsContact C-N 3.34Å; D640-Y642 VanDerWaalsContact C-N 3.27Å; D640-Y642 PolarHBondContact O-N 2.91Å; D640-K643 PolarHBondContact O-N 3.21Å; D640-K643 WeakPolarHBondContact OD1-CE 3.29Å; D640-K643 IonicContact OD1-NZ 3.46Å; D640-K643 PolarHBondContact OD1-NZ 3.47Å; D640-L644 WeakPolarHBondContact O-CB 3.21Å; D640-L644 PolarHBondContact O-N 2.89Å |
| 641 | A | 90.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.9 | -45.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | W203 I204 I637 R638 S645 | W203-A641 HydrophobicContact CD2-CB 3.55Å; W203-A641 HydrophobicContact CE3-CB 3.78Å; W203-A641 HydrophobicContact CG-CB 4.24Å; W203-A641 HydrophobicContact CH2-CB 3.71Å; W203-A641 HydrophobicContact CZ2-CB 3.47Å; W203-A641 VanDerWaalsContact CZ2-CB 3.47Å; W203-A641 HydrophobicContact CZ3-CB 3.83Å; I204-A641 HydrophobicContact CD1-CB 4.41Å; I204-A641 HydrophobicContact CG1-CB 3.8Å; I637-A641 WeakPolarHBondContact O-CB 3.4Å; I637-A641 PolarHBondContact O-N 3.28Å; R638-A641 PolarHBondContact O-N 3.38Å; A641-S645 WeakPolarHBondContact O-CB 3.41Å; A641-S645 PolarHBondContact O-N 2.91Å; A641-S645 PolarHBondContact O-OG 3.3Å |
| 642 | Y | 87.8 | Confident | 89.6 | Confident | 68 Ų | 68 | 21.5 Ų | 21.5 | 27% | 0.267 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -68.2 | -43.3 | 178.4 | -178.7 | -91 | 0 | 0 | 0 | 112.3 | I204 L474 R638 G639 D640 S645 T646 | I204-Y642 HydrophobicContact CG2-CD2 4.37Å; L474-Y642 HydrophobicContact CD2-CD1 4.25Å; L474-Y642 HydrophobicContact CD2-CE1 3.28Å; L474-Y642 HydrophobicContact CD2-CE2 4.35Å; L474-Y642 WeakPolarHBondContact CD2-OH 3.16Å; L474-Y642 HydrophobicContact CG-CE1 4.02Å; R638-Y642 WeakPolarHBondContact O-CB 3.47Å; R638-Y642 PolarHBondContact O-N 3.45Å; G639-Y642 PolarHBondContact O-N 3.45Å; D640-Y642 VanDerWaalsContact C-N 3.27Å; D640-Y642 PolarHBondContact O-N 2.91Å; Y642-S645 PolarHBondContact O-N 2.85Å; Y642-T646 HydrophobicContact CD2-CG2 4.35Å; Y642-T646 HydrophobicContact CE1-CG2 4.42Å; Y642-T646 VanDerWaalsContact CE1-OG1 3.23Å; Y642-T646 WeakPolarHBondContact CE1-OG1 3.24Å; Y642-T646 HydrophobicContact CE2-CG2 3.9Å; Y642-T646 PolarHBondContact O-N 2.99Å; Y642-T646 VanDerWaalsContact O-N 3.13Å; Y642-T646 PolarHBondContact O-OG1 3.2Å |
| 643 | K | 87.7 | Confident | 89.7 | Confident | 15 Ų | 15 | 22 Ų | 22 | 7% | 0.065 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.6 | -48.7 | 178.5 | 175.3 | 174.9 | 72.8 | -167.9 | 0 | 110.7 | E469 D604 G639 D640 S645 T646 S647 Y648 | E469-K643 IonicContact OE1-NZ 3.84Å; E469-K643 PolarHBondContact OE1-NZ 3.1Å; E469-K643 IonicContact OE2-NZ 3.7Å; E469-K643 PolarHBondContact OE2-NZ 3.38Å; D604-K643 IonicContact OD1-NZ 2.79Å; D604-K643 PolarHBondContact OD1-NZ 2.93Å; G639-K643 WeakPolarHBondContact O-CB 3.48Å; G639-K643 PolarHBondContact O-N 3.23Å; D640-K643 PolarHBondContact O-N 3.21Å; D640-K643 WeakPolarHBondContact OD1-CE 3.29Å; D640-K643 IonicContact OD1-NZ 3.46Å; D640-K643 PolarHBondContact OD1-NZ 3.47Å; K643-S645 VanDerWaalsContact C-N 3.34Å; K643-S645 PolarHBondContact O-N 3.32Å; K643-T646 PolarHBondContact O-N 3.42Å; K643-S647 WeakPolarHBondContact O-CA 3.3Å; K643-S647 WeakPolarHBondContact O-CB 3.31Å; K643-S647 PolarHBondContact O-N 2.97Å; K643-Y648 HydrophobicContact CD-CD2 4.49Å; K643-Y648 HydrophobicContact CD-CE2 3.69Å; K643-Y648 HydrophobicContact CG-CD2 3.66Å; K643-Y648 HydrophobicContact CG-CE2 3.32Å; K643-Y648 PolarHBondContact O-N 3.27Å |
| 644 | L | 90.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 25.2 Ų | 25.2 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.3 | -33.5 | 178.3 | -168.2 | 65.8 | 0 | 0 | 0 | 113 | F220 V224 F228 Y598 D640 P651 | F220-L644 HydrophobicContact CB-CD2 4.5Å; F220-L644 HydrophobicContact CD1-CD2 3.67Å; F220-L644 HydrophobicContact CD1-CG 4.02Å; F220-L644 HydrophobicContact CD2-CD2 3.74Å; F220-L644 HydrophobicContact CE1-CD1 4.32Å; F220-L644 HydrophobicContact CE1-CD2 3.64Å; F220-L644 HydrophobicContact CE1-CG 3.57Å; F220-L644 HydrophobicContact CE2-CD2 3.72Å; F220-L644 HydrophobicContact CE2-CG 4.26Å; F220-L644 HydrophobicContact CG-CD2 3.71Å; F220-L644 HydrophobicContact CZ-CB 4.48Å; F220-L644 HydrophobicContact CZ-CD2 3.66Å; F220-L644 HydrophobicContact CZ-CG 3.7Å; V224-L644 HydrophobicContact CG1-CD2 3.77Å; F228-L644 HydrophobicContact CE2-CD2 4.33Å; Y598-L644 HydrophobicContact CD1-CD1 3.91Å; Y598-L644 HydrophobicContact CD2-CD1 4.3Å; Y598-L644 HydrophobicContact CE1-CD1 4.12Å; Y598-L644 HydrophobicContact CG-CD1 3.98Å; D640-L644 WeakPolarHBondContact O-CB 3.21Å; D640-L644 PolarHBondContact O-N 2.89Å; L644-P651 HydrophobicContact CD1-CG 4.36Å |
| 645 | S | 88.3 | Confident | 89.5 | Confident | 8 Ų | 8 | 26.2 Ų | 26.2 | 6% | 0.056 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -81.3 | -17.1 | -177.9 | -57.1 | 0 | 0 | 0 | 0 | 114.4 | A641 Y642 K643 | A641-S645 WeakPolarHBondContact O-CB 3.41Å; A641-S645 PolarHBondContact O-N 2.91Å; A641-S645 PolarHBondContact O-OG 3.3Å; Y642-S645 PolarHBondContact O-N 2.85Å; K643-S645 VanDerWaalsContact C-N 3.34Å; K643-S645 PolarHBondContact O-N 3.32Å |
| 646 | T | 83.6 | Confident | 89.6 | Confident | 46 Ų | 46 | 24 Ų | 24 | 28% | 0.282 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -136 | -26.4 | -168.9 | 64.4 | 0 | 0 | 0 | 0 | 115.9 | Y642 K643 | Y642-T646 HydrophobicContact CD2-CG2 4.35Å; Y642-T646 HydrophobicContact CE1-CG2 4.42Å; Y642-T646 VanDerWaalsContact CE1-OG1 3.23Å; Y642-T646 WeakPolarHBondContact CE1-OG1 3.24Å; Y642-T646 HydrophobicContact CE2-CG2 3.9Å; Y642-T646 PolarHBondContact O-N 2.99Å; Y642-T646 VanDerWaalsContact O-N 3.13Å; Y642-T646 PolarHBondContact O-OG1 3.2Å; K643-T646 PolarHBondContact O-N 3.42Å |
| 647 | S | 84.2 | Confident | 89.7 | Confident | 10 Ų | 10 | 26.9 Ų | 26.9 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -25.6 | -171.1 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | L596 K643 | L596-S647 PolarHBondContact N-O 3.49Å; L596-S647 VanDerWaalsContact N-O 3.15Å; K643-S647 WeakPolarHBondContact O-CA 3.3Å; K643-S647 WeakPolarHBondContact O-CB 3.31Å; K643-S647 PolarHBondContact O-N 2.97Å |
| 648 | Y | 88.9 | Confident | 89.8 | Confident | 51 Ų | 51 | 28 Ų | 28 | 20% | 0.2 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -104.5 | 153.6 | 176.9 | -73.3 | -76.2 | 0 | 0 | 0 | 112.4 | L595 L596 Y598 K643 | L595-Y648 WeakPolarHBondContact CD1-O 3.42Å; L596-Y648 HydrophobicContact CB-CD1 3.57Å; L596-Y648 HydrophobicContact CB-CE1 3.63Å; L596-Y648 HydrophobicContact CB-CG 4.47Å; L596-Y648 HydrophobicContact CD1-CE1 4.3Å; L596-Y648 CarbonylContact O-C 3.59Å; L596-Y648 VanDerWaalsContact O-CA 3.26Å; L596-Y648 WeakPolarHBondContact O-CA 3.32Å; L596-Y648 WeakPolarHBondContact O-CD1 3.35Å; Y598-Y648 AromaticContact CD2-CD1 3.89Å; Y598-Y648 HydrophobicContact CD2-CD1 3.89Å; Y598-Y648 HydrophobicContact CD2-CD2 4.01Å; Y598-Y648 AromaticContact CD2-CE1 3.95Å; Y598-Y648 HydrophobicContact CD2-CE1 3.95Å; Y598-Y648 HydrophobicContact CD2-CE2 4.04Å; Y598-Y648 AromaticContact CD2-CG 3.94Å; Y598-Y648 HydrophobicContact CD2-CG 3.94Å; Y598-Y648 HydrophobicContact CE2-CE2 4.49Å; Y598-Y648 HydrophobicContact CG-CD1 4.3Å; Y598-Y648 HydrophobicContact CG-CG 4.34Å; K643-Y648 HydrophobicContact CD-CD2 4.49Å; K643-Y648 HydrophobicContact CD-CE2 3.69Å; K643-Y648 HydrophobicContact CG-CD2 3.66Å; K643-Y648 HydrophobicContact CG-CE2 3.32Å; K643-Y648 PolarHBondContact O-N 3.27Å |
| 649 | Q | 91.9 | Very high | 90 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.019 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -63.3 | 145.8 | 159.9 | -66 | 175.2 | -10.5 | 0 | 0 | 108.6 | E592 A593 L595 L596 P651 | E592-Q649 WeakPolarHBondContact O-CG 3.18Å; E592-Q649 PolarHBondContact O-NE2 3.26Å; A593-Q649 PolarHBondContact O-NE2 2.81Å; L595-Q649 HydrophobicContact CB-CG 3.81Å; L596-Q649 PolarHBondContact O-N 3.21Å; Q649-P651 WeakPolarHBondContact O-CD 3.46Å |
| 650 | R | 94.2 | Very high | 90.2 | Very high | 9 Ų | 9 | 28 Ų | 28 | 3% | 0.034 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -58 | 124 | 171.5 | -172.5 | -179.3 | 179.2 | -176.5 | 2.9 | 109.4 | T140 S141 P189 L190 H191 Y219 F220 | T140-R650 VanDerWaalsContact C-NH2 3.27Å; T140-R650 PolarHBondContact OG1-NH2 3.13Å; S141-R650 VanDerWaalsContact N-NH2 3.15Å; P189-R650 WeakPolarHBondContact CD-O 3.48Å; P189-R650 HydrophobicContact CG-CB 3.94Å; P189-R650 HydrophobicContact CG-CG 3.86Å; P189-R650 WeakPolarHBondContact CG-O 3.44Å; L190-R650 PolarHBondContact O-NH1 3.32Å; L190-R650 VanDerWaalsContact O-NH1 3.09Å; H191-R650 PolarHBondContact NE2-N 3.23Å; Y219-R650 HydrophobicContact CE1-CG 4.43Å; Y219-R650 PolarHBondContact O-NE 2.97Å; Y219-R650 VanDerWaalsContact O-NE 3.16Å; Y219-R650 PolarHBondContact O-NH2 3.03Å; F220-R650 HydrophobicContact CD1-CG 4.47Å; F220-R650 HydrophobicContact CE1-CG 4.45Å |
| 651 | P | 93.9 | Very high | 90.4 | Very high | 13 Ų | 13 | 29.4 Ų | 29.4 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -73.5 | 152 | 171.8 | 29.5 | -35.5 | 0 | 0 | 0 | 111.2 | F220 V224 Y598 L644 Q649 | F220-P651 HydrophobicContact CD1-CG 4.09Å; V224-P651 HydrophobicContact CG2-CG 4.38Å; Y598-P651 HydrophobicContact CD1-CB 4.15Å; Y598-P651 HydrophobicContact CD1-CG 4.03Å; L644-P651 HydrophobicContact CD1-CG 4.36Å; Q649-P651 WeakPolarHBondContact O-CD 3.46Å |
| 652 | F | 93.7 | Very high | 90.7 | Very high | 35 Ų | 35 | 30.1 Ų | 30.1 | 15% | 0.154 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 142.3 | 165.4 | -73.9 | -72.7 | 0 | 0 | 0 | 110.2 | V45 H148 I187 P189 K654 | V45-F652 HydrophobicContact CG1-CE1 4.39Å; V45-F652 HydrophobicContact CG1-CZ 3.99Å; V45-F652 HydrophobicContact CG2-CE1 3.86Å; V45-F652 HydrophobicContact CG2-CZ 4.3Å; H148-F652 HydrophobicContact CB-CD1 3.91Å; H148-F652 HydrophobicContact CB-CE1 3.61Å; H148-F652 HydrophobicContact CB-CZ 4.16Å; H148-F652 AromaticContact CE1-CD2 3.92Å; H148-F652 AromaticContact CE1-CE2 3.58Å; H148-F652 AromaticContact CE1-CZ 3.88Å; H148-F652 AromaticContact CG-CD1 3.94Å; H148-F652 AromaticContact CG-CE1 3.73Å; H148-F652 AromaticContact CG-CZ 3.87Å; H148-F652 AromaticContact ND1-CE1 3.63Å; H148-F652 AromaticContact ND1-CE2 3.47Å; H148-F652 WeakPolarHBondContact ND1-CE2 3.38Å; H148-F652 AromaticContact ND1-CZ 3.26Å; H148-F652 VanDerWaalsContact ND1-CZ 3.26Å; H148-F652 WeakPolarHBondContact ND1-CZ 3.27Å; I187-F652 HydrophobicContact CG2-CE2 4.18Å; I187-F652 HydrophobicContact CG2-CZ 3.94Å; P189-F652 HydrophobicContact CB-CD1 4.25Å; P189-F652 HydrophobicContact CB-CE1 3.96Å; P189-F652 HydrophobicContact CB-CZ 4.47Å; P189-F652 HydrophobicContact CG-CD1 4.01Å; P189-F652 HydrophobicContact CG-CE1 4.05Å; P189-F652 HydrophobicContact CG-CG 4.3Å; P189-F652 HydrophobicContact CG-CZ 4.39Å; F652-K654 PolarHBondContact O-N 3.48Å |
| 653 | G | 91.7 | Very high | 91.1 | Very high | 10 Ų | 10 | 28.1 Ų | 28.1 | 10% | 0.103 | 15% | 0.153 | C | C | . | . | trans | -72.7 | 99.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S141 N145 | S141-G653 WeakPolarHBondContact OG-CA 3.38Å; N145-G653 PolarHBondContact ND2-O 3.13Å; N145-G653 PolarHBondContact OD1-N 3.2Å; N145-G653 PolarHBondContact OD1-O 3.03Å | ||
| 654 | K | 89.7 | Confident | 91.4 | Very high | 68 Ų | 68 | 32.2 Ų | 32.2 | 30% | 0.296 | 18% | 0.175 | S | C | . | . | trans | -78.8 | 145.1 | 176 | -65 | -179.1 | -174.5 | 170.2 | 0 | 111.7 | T222 K223 E599 D600 F652 | T222-K654 PolarHBondContact N-O 3.09Å; T222-K654 PolarHBondContact OG1-O 2.93Å; K223-K654 HydrophobicContact CB-CB 4.03Å; K223-K654 HydrophobicContact CD-CB 4.01Å; K223-K654 HydrophobicContact CD-CD 3.95Å; K223-K654 PolarHBondContact N-O 3.45Å; E599-K654 PolarHBondContact O-NZ 2.91Å; D600-K654 VanDerWaalsContact CG-NZ 3.35Å; D600-K654 IonicContact OD1-NZ 3.71Å; D600-K654 PolarHBondContact OD1-NZ 2.88Å; D600-K654 IonicContact OD2-NZ 3.05Å; D600-K654 PolarHBondContact OD2-NZ 3.23Å; F652-K654 PolarHBondContact O-N 3.48Å | ||
| 655 | F | 87.5 | Confident | 91.7 | Very high | 87 Ų | 87 | 32.6 Ų | 32.6 | 38% | 0.382 | 18% | 0.179 | S | C | . | . | trans | -72.3 | 136.7 | 170.3 | -175.6 | -89.5 | 0 | 0 | 0 | 110.4 | T222 S293 D295 | T222-F655 WeakPolarHBondContact OG1-CA 3.46Å; S293-F655 VanDerWaalsContact CA-CE2 3.45Å; S293-F655 VanDerWaalsContact CA-CZ 3.43Å; S293-F655 VanDerWaalsContact CB-CE2 3.5Å; S293-F655 WeakPolarHBondContact O-CZ 3.48Å; D295-F655 WeakPolarHBondContact O-CZ 3.33Å | ||
| 656 | A | 90.3 | Very high | 92.2 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 12% | 0.116 | 18% | 0.177 | C | C | . | . | trans | -153.4 | 143.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | T222 K223 F226 S293 | T222-A656 PolarHBondContact OG1-N 3.33Å; K223-A656 HydrophobicContact CB-CB 3.9Å; K223-A656 HydrophobicContact CG-CB 4.19Å; F226-A656 HydrophobicContact CD2-CB 4.14Å; F226-A656 WeakPolarHBondContact CE2-O 3.49Å; S293-A656 WeakPolarHBondContact CB-O 3.22Å; S293-A656 PolarHBondContact OG-O 3.41Å | ||
| 657 | N | 91.4 | Very high | 92.7 | Very high | 62 Ų | 62 | 31.1 Ų | 31.1 | 33% | 0.332 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -104.8 | -9.3 | 175.9 | 67.9 | -4.4 | 0 | 0 | 0 | 113.2 | A288 S293 T296 | A288-N657 WeakPolarHBondContact CB-O 3.16Å; S293-N657 WeakPolarHBondContact O-CA 3.16Å; S293-N657 WeakPolarHBondContact O-CB 3.26Å; T296-N657 VanDerWaalsContact CG2-ND2 3.31Å; T296-N657 WeakPolarHBondContact CG2-ND2 3.49Å |
| 658 | S | 92.7 | Very high | 93.3 | Very high | 35 Ų | 35 | 34.1 Ų | 34.1 | 25% | 0.245 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -166.4 | 179 | -176.6 | 65.1 | 0 | 0 | 0 | 0 | 109.2 | G660 | S658-G660 PolarHBondContact O-N 3.08Å; S658-G660 VanDerWaalsContact O-N 3.16Å; S658-G660 PolarHBondContact OG-N 3.41Å; S658-G660 VanDerWaalsContact OG-N 3.15Å |
| 659 | I | 93.6 | Very high | 93.7 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 6% | 0.062 | 18% | 0.177 | C | C | . | . | trans | -70.6 | 1.4 | 170.2 | 59.4 | 171.9 | 0 | 0 | 0 | 113.3 | F226 W230 W280 F605 W662 Q663 L666 | F226-I659 HydrophobicContact CB-CG2 4.41Å; W230-I659 HydrophobicContact CB-CG2 3.92Å; W230-I659 HydrophobicContact CG-CD1 4.44Å; W230-I659 HydrophobicContact CG-CG2 4.25Å; W280-I659 HydrophobicContact CZ2-CG2 3.75Å; F605-I659 HydrophobicContact CE1-CB 4.03Å; F605-I659 HydrophobicContact CE1-CG2 3.85Å; F605-I659 HydrophobicContact CZ-CB 3.92Å; F605-I659 HydrophobicContact CZ-CG2 3.72Å; I659-W662 HydrophobicContact CB-CB 4.36Å; I659-W662 HydrophobicContact CD1-CB 4.04Å; I659-W662 HydrophobicContact CG1-CB 4.26Å; I659-Q663 HydrophobicContact CD1-CB 4.12Å; I659-Q663 HydrophobicContact CG1-CB 3.91Å; I659-L666 HydrophobicContact CD1-CD1 3.92Å | ||
| 660 | G | 91.6 | Very high | 93.9 | Very high | 34 Ų | 34 | 31.7 Ų | 31.7 | 35% | 0.351 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | -134.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | S658 W662 Q663 | S658-G660 PolarHBondContact O-N 3.08Å; S658-G660 VanDerWaalsContact O-N 3.16Å; S658-G660 PolarHBondContact OG-N 3.41Å; S658-G660 VanDerWaalsContact OG-N 3.15Å; G660-W662 PolarHBondContact O-N 2.79Å; G660-W662 VanDerWaalsContact O-N 3.12Å; G660-Q663 WeakPolarHBondContact O-CB 3.49Å; G660-Q663 PolarHBondContact O-N 3.09Å |
| 661 | I | 94.6 | Very high | 94 | Very high | 32 Ų | 32 | 34.9 Ų | 34.9 | 16% | 0.164 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.8 | -25 | -175.5 | -165.7 | 63.2 | 0 | 0 | 0 | 113.7 | N419 V422 V423 Q663 L664 A665 | N419-I661 HydrophobicContact CB-CB 4.45Å; V422-I661 HydrophobicContact CB-CG2 4.05Å; V422-I661 HydrophobicContact CG1-CG2 3.56Å; V423-I661 HydrophobicContact CG2-CD1 3.76Å; V423-I661 HydrophobicContact CG2-CG1 3.6Å; I661-Q663 PolarHBondContact O-N 2.78Å; I661-L664 HydrophobicContact CD1-CB 4.34Å; I661-L664 HydrophobicContact CD1-CD2 3.82Å; I661-L664 WeakPolarHBondContact O-CB 3.35Å; I661-L664 PolarHBondContact O-N 3.29Å; I661-L664 VanDerWaalsContact O-N 3.13Å; I661-A665 PolarHBondContact O-N 3.26Å |
| 662 | W | 96.2 | Very high | 94.1 | Very high | 15 Ų | 15 | 36.5 Ų | 36.5 | 6% | 0.057 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.8 | -30.4 | 176.9 | -64.8 | 108.4 | 0 | 0 | 0 | 112.7 | V422 I426 T602 F605 L606 F609 I659 G660 A665 L666 | V422-W662 HydrophobicContact CG1-CD2 4.35Å; V422-W662 HydrophobicContact CG1-CH2 3.9Å; V422-W662 HydrophobicContact CG1-CZ2 3.42Å; V422-W662 VanDerWaalsContact CG1-CZ2 3.42Å; V422-W662 HydrophobicContact CG2-CZ2 4.45Å; I426-W662 HydrophobicContact CD1-CD2 4.36Å; I426-W662 HydrophobicContact CD1-CE3 3.73Å; I426-W662 HydrophobicContact CD1-CH2 3.89Å; I426-W662 HydrophobicContact CD1-CZ3 3.48Å; I426-W662 VanDerWaalsContact CD1-CZ3 3.48Å; I426-W662 HydrophobicContact CG1-CE3 4.32Å; I426-W662 HydrophobicContact CG1-CH2 3.8Å; I426-W662 HydrophobicContact CG1-CZ3 3.56Å; T602-W662 WeakPolarHBondContact O-CZ2 3.24Å; F605-W662 HydrophobicContact CB-CD2 3.57Å; F605-W662 HydrophobicContact CB-CE3 4.02Å; F605-W662 HydrophobicContact CB-CG 4.04Å; F605-W662 HydrophobicContact CB-CH2 3.99Å; F605-W662 HydrophobicContact CB-CZ2 3.51Å; F605-W662 HydrophobicContact CB-CZ3 4.21Å; F605-W662 HydrophobicContact CD1-CB 4.34Å; F605-W662 HydrophobicContact CD1-CD2 4.35Å; F605-W662 HydrophobicContact CD1-CG 4Å; F605-W662 AromaticContact CD2-CD1 3.59Å; F605-W662 HydrophobicContact CD2-CG 4.28Å; F605-W662 AromaticContact CD2-NE1 3.48Å; F605-W662 AromaticContact CE2-CD1 4Å; F605-W662 AromaticContact CG-CD1 3.64Å; F605-W662 AromaticContact CG-CD2 3.97Å; F605-W662 HydrophobicContact CG-CD2 3.97Å; F605-W662 AromaticContact CG-CE2 3.83Å; F605-W662 AromaticContact CG-CG 3.88Å; F605-W662 HydrophobicContact CG-CG 3.88Å; F605-W662 HydrophobicContact CG-CZ2 4.5Å; F605-W662 AromaticContact CG-NE1 3.61Å; L606-W662 VanDerWaalsContact CA-CH2 3.49Å; L606-W662 HydrophobicContact CB-CH2 3.71Å; L606-W662 HydrophobicContact CB-CZ3 4.39Å; L606-W662 HydrophobicContact CD1-CH2 3.97Å; L606-W662 HydrophobicContact CD1-CZ3 4.23Å; L606-W662 HydrophobicContact CG-CH2 4.45Å; F609-W662 HydrophobicContact CB-CE3 4.17Å; F609-W662 HydrophobicContact CB-CZ3 3.87Å; F609-W662 HydrophobicContact CD1-CZ3 4.48Å; F609-W662 HydrophobicContact CG-CE3 4.4Å; F609-W662 HydrophobicContact CG-CZ3 4.09Å; I659-W662 HydrophobicContact CB-CB 4.36Å; I659-W662 HydrophobicContact CD1-CB 4.04Å; I659-W662 HydrophobicContact CG1-CB 4.26Å; G660-W662 PolarHBondContact O-N 2.79Å; G660-W662 VanDerWaalsContact O-N 3.12Å; W662-A665 PolarHBondContact O-N 2.91Å; W662-L666 VanDerWaalsContact O-CG 3.27Å; W662-L666 WeakPolarHBondContact O-CG 3.45Å; W662-L666 PolarHBondContact O-N 3.4Å |
| 663 | Q | 96.1 | Very high | 94.2 | Very high | 27 Ų | 27 | 34.9 Ų | 34.9 | 13% | 0.126 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.9 | -47.5 | 174 | -178.9 | 56.3 | 56.8 | 0 | 0 | 111.1 | I659 G660 I661 A665 L666 D667 | I659-Q663 HydrophobicContact CD1-CB 4.12Å; I659-Q663 HydrophobicContact CG1-CB 3.91Å; G660-Q663 WeakPolarHBondContact O-CB 3.49Å; G660-Q663 PolarHBondContact O-N 3.09Å; I661-Q663 PolarHBondContact O-N 2.78Å; Q663-A665 VanDerWaalsContact C-N 3.31Å; Q663-A665 PolarHBondContact O-N 3.37Å; Q663-L666 PolarHBondContact O-N 3.04Å; Q663-D667 PolarHBondContact NE2-OD2 3.04Å; Q663-D667 PolarHBondContact O-N 3.48Å |
| 664 | L | 95.5 | Very high | 94.4 | Very high | 101 Ų | 101 | 34.4 Ų | 34.4 | 53% | 0.529 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 176.5 | 178.6 | 65.8 | 0 | 0 | 0 | 110.9 | I661 L666 D667 V668 | I661-L664 HydrophobicContact CD1-CB 4.34Å; I661-L664 HydrophobicContact CD1-CD2 3.82Å; I661-L664 WeakPolarHBondContact O-CB 3.35Å; I661-L664 PolarHBondContact O-N 3.29Å; I661-L664 VanDerWaalsContact O-N 3.13Å; L664-L666 PolarHBondContact O-N 3.01Å; L664-D667 PolarHBondContact O-N 2.87Å; L664-V668 HydrophobicContact CD1-CG2 4.43Å; L664-V668 WeakPolarHBondContact O-CG2 3.36Å; L664-V668 PolarHBondContact O-N 3.45Å |
| 665 | A | 96.8 | Very high | 94.7 | Very high | 12 Ų | 12 | 34.7 Ų | 34.7 | 10% | 0.099 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | I426 F609 I661 W662 Q663 D667 V668 V669 | I426-A665 HydrophobicContact CD1-CB 3.8Å; I426-A665 HydrophobicContact CG2-CB 4.45Å; F609-A665 HydrophobicContact CD2-CB 4.13Å; F609-A665 HydrophobicContact CE2-CB 3.65Å; F609-A665 HydrophobicContact CZ-CB 4.27Å; I661-A665 PolarHBondContact O-N 3.26Å; W662-A665 PolarHBondContact O-N 2.91Å; Q663-A665 VanDerWaalsContact C-N 3.31Å; Q663-A665 PolarHBondContact O-N 3.37Å; A665-D667 VanDerWaalsContact C-N 3.35Å; A665-V668 PolarHBondContact O-N 3.24Å; A665-V669 PolarHBondContact O-N 3.16Å |
| 666 | L | 97.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.4 | -41 | 175.8 | -69 | 169.5 | 0 | 0 | 0 | 111.9 | W230 L277 F609 F612 I659 W662 Q663 L664 V669 S670 | W230-L666 HydrophobicContact CZ2-CD1 3.94Å; W230-L666 HydrophobicContact CZ2-CD2 4.26Å; L277-L666 HydrophobicContact CD2-CB 3.74Å; L277-L666 HydrophobicContact CD2-CD1 4.29Å; F609-L666 HydrophobicContact CD2-CD2 4.13Å; F612-L666 HydrophobicContact CB-CD2 4.15Å; F612-L666 HydrophobicContact CD1-CD2 3.35Å; F612-L666 HydrophobicContact CD2-CD2 4.43Å; F612-L666 HydrophobicContact CE1-CB 4.38Å; F612-L666 HydrophobicContact CE1-CD2 3.73Å; F612-L666 HydrophobicContact CG-CD2 3.72Å; F612-L666 HydrophobicContact CZ-CD2 4.41Å; I659-L666 HydrophobicContact CD1-CD1 3.92Å; W662-L666 VanDerWaalsContact O-CG 3.27Å; W662-L666 WeakPolarHBondContact O-CG 3.45Å; W662-L666 PolarHBondContact O-N 3.4Å; Q663-L666 PolarHBondContact O-N 3.04Å; L664-L666 PolarHBondContact O-N 3.01Å; L666-V669 PolarHBondContact O-N 3.41Å; L666-S670 PolarHBondContact O-N 2.8Å |
| 667 | D | 95.8 | Very high | 95.2 | Very high | 22 Ų | 22 | 30.4 Ų | 30.4 | 12% | 0.118 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.8 | -49.2 | 174.5 | -82.3 | -55.6 | 0 | 0 | 0 | 111.2 | K281 Q663 L664 A665 V669 S670 Y671 R714 | K281-D667 WeakPolarHBondContact CE-OD2 3.42Å; K281-D667 IonicContact NZ-OD1 3.7Å; K281-D667 PolarHBondContact NZ-OD1 2.9Å; K281-D667 IonicContact NZ-OD2 2.77Å; K281-D667 PolarHBondContact NZ-OD2 3.28Å; K281-D667 VanDerWaalsContact NZ-OD2 3.16Å; Q663-D667 PolarHBondContact NE2-OD2 3.04Å; Q663-D667 PolarHBondContact O-N 3.48Å; L664-D667 PolarHBondContact O-N 2.87Å; A665-D667 VanDerWaalsContact C-N 3.35Å; D667-V669 PolarHBondContact O-N 2.79Å; D667-S670 PolarHBondContact O-N 2.86Å; D667-S670 VanDerWaalsContact O-N 3.16Å; D667-S670 PolarHBondContact O-OG 3.27Å; D667-Y671 WeakPolarHBondContact O-CD2 3.29Å; D667-Y671 PolarHBondContact O-N 2.83Å; D667-Y671 VanDerWaalsContact O-N 3.15Å; D667-R714 IonicContact OD1-CZ 3.44Å; D667-R714 IonicContact OD1-NH2 3.02Å; D667-R714 PolarHBondContact OD1-NH2 2.85Å |
| 668 | V | 96.5 | Very high | 95.3 | Very high | 73 Ų | 73 | 27.9 Ų | 27.9 | 44% | 0.442 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -58.4 | -47.1 | 176.6 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | L664 A665 S670 Y671 I672 | L664-V668 HydrophobicContact CD1-CG2 4.43Å; L664-V668 WeakPolarHBondContact O-CG2 3.36Å; L664-V668 PolarHBondContact O-N 3.45Å; A665-V668 PolarHBondContact O-N 3.24Å; V668-S670 VanDerWaalsContact C-N 3.27Å; V668-S670 PolarHBondContact O-N 3.47Å; V668-Y671 PolarHBondContact O-N 2.96Å; V668-Y671 VanDerWaalsContact O-N 3.13Å; V668-I672 HydrophobicContact CG1-CD1 3.96Å; V668-I672 WeakPolarHBondContact O-CG1 3.48Å; V668-I672 PolarHBondContact O-N 2.92Å |
| 669 | V | 96.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.8 | -38.6 | 177.3 | 160.4 | 0 | 0 | 0 | 0 | 112 | F430 F609 F612 M617 A665 L666 D667 Y671 I672 A673 | F430-V669 HydrophobicContact CD2-CG2 4.15Å; F430-V669 HydrophobicContact CE2-CG2 3.86Å; F609-V669 HydrophobicContact CD2-CG2 4.48Å; F609-V669 HydrophobicContact CE1-CG2 4.36Å; F609-V669 HydrophobicContact CE2-CB 4.19Å; F609-V669 HydrophobicContact CE2-CG2 3.34Å; F609-V669 HydrophobicContact CZ-CG2 3.27Å; F612-V669 HydrophobicContact CD1-CG1 3.75Å; F612-V669 HydrophobicContact CE1-CB 4.37Å; F612-V669 HydrophobicContact CE1-CG1 3.77Å; M617-V669 HydrophobicContact CE-CB 4.4Å; M617-V669 HydrophobicContact CE-CG1 3.72Å; M617-V669 HydrophobicContact CE-CG2 4.45Å; A665-V669 PolarHBondContact O-N 3.16Å; L666-V669 PolarHBondContact O-N 3.41Å; D667-V669 PolarHBondContact O-N 2.79Å; V669-Y671 VanDerWaalsContact C-N 3.33Å; V669-Y671 PolarHBondContact O-N 3.42Å; V669-I672 CarbonylContact O-C 3.48Å; V669-I672 PolarHBondContact O-N 3.3Å; V669-A673 WeakPolarHBondContact O-CB 3.32Å; V669-A673 PolarHBondContact O-N 3.3Å |
| 670 | S | 95.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.8 | -29.8 | 177.8 | 72.3 | 0 | 0 | 0 | 0 | 113.5 | L277 L666 D667 V668 A673 V674 R714 | L277-S670 VanDerWaalsContact CD1-CB 3.5Å; L277-S670 WeakPolarHBondContact CD1-OG 3.16Å; L666-S670 PolarHBondContact O-N 2.8Å; D667-S670 PolarHBondContact O-N 2.86Å; D667-S670 VanDerWaalsContact O-N 3.16Å; D667-S670 PolarHBondContact O-OG 3.27Å; V668-S670 VanDerWaalsContact C-N 3.27Å; V668-S670 PolarHBondContact O-N 3.47Å; S670-A673 PolarHBondContact O-N 3.37Å; S670-V674 PolarHBondContact O-N 3.15Å; S670-R714 PolarHBondContact OG-NE 3.3Å; S670-R714 PolarHBondContact OG-NH2 2.94Å |
| 671 | Y | 96.2 | Very high | 95.1 | Very high | 76 Ų | 76 | 26.9 Ų | 26.9 | 30% | 0.298 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -69.1 | -44.2 | 169.7 | -71.4 | -68.6 | 0 | 0 | 0 | 111.1 | D667 V668 V669 A673 V674 I675 I711 R714 | D667-Y671 WeakPolarHBondContact O-CD2 3.29Å; D667-Y671 PolarHBondContact O-N 2.83Å; D667-Y671 VanDerWaalsContact O-N 3.15Å; V668-Y671 PolarHBondContact O-N 2.96Å; V668-Y671 VanDerWaalsContact O-N 3.13Å; V669-Y671 VanDerWaalsContact C-N 3.33Å; V669-Y671 PolarHBondContact O-N 3.42Å; Y671-A673 PolarHBondContact O-N 3.08Å; Y671-V674 WeakPolarHBondContact O-CB 3.29Å; Y671-V674 PolarHBondContact O-N 3.3Å; Y671-V674 VanDerWaalsContact O-N 3.11Å; Y671-I675 PolarHBondContact O-N 3.47Å; Y671-I711 HydrophobicContact CD1-CG2 4.16Å; Y671-I711 HydrophobicContact CE1-CG2 4.18Å; Y671-R714 PolarHBondContact OH-NH1 2.92Å |
| 672 | I | 96.3 | Very high | 94.9 | Very high | 47 Ų | 47 | 26.6 Ų | 26.6 | 24% | 0.241 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.1 | -38 | 173.9 | -62.2 | 168.3 | 0 | 0 | 0 | 110.4 | F430 M617 V668 V669 V674 I675 V676 | F430-I672 HydrophobicContact CE1-CD1 4.26Å; F430-I672 HydrophobicContact CE2-CD1 4.45Å; F430-I672 HydrophobicContact CZ-CD1 3.88Å; F430-I672 HydrophobicContact CZ-CG2 4.21Å; M617-I672 HydrophobicContact CE-CB 3.84Å; M617-I672 HydrophobicContact CE-CG2 3.55Å; M617-I672 HydrophobicContact SD-CG2 4.04Å; V668-I672 HydrophobicContact CG1-CD1 3.96Å; V668-I672 WeakPolarHBondContact O-CG1 3.48Å; V668-I672 PolarHBondContact O-N 2.92Å; V669-I672 CarbonylContact O-C 3.48Å; V669-I672 PolarHBondContact O-N 3.3Å; I672-V674 VanDerWaalsContact C-N 3.32Å; I672-V674 PolarHBondContact O-N 3.43Å; I672-I675 WeakPolarHBondContact O-CB 3.43Å; I672-I675 PolarHBondContact O-N 3.17Å; I672-V676 HydrophobicContact CG2-CG2 3.99Å; I672-V676 WeakPolarHBondContact O-CG2 3.27Å; I672-V676 PolarHBondContact O-N 3.07Å |
| 673 | A | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62 | -37.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M617 V669 S670 Y671 N677 | M617-A673 HydrophobicContact CG-CB 3.89Å; V669-A673 WeakPolarHBondContact O-CB 3.32Å; V669-A673 PolarHBondContact O-N 3.3Å; S670-A673 PolarHBondContact O-N 3.37Å; Y671-A673 PolarHBondContact O-N 3.08Å; A673-N677 WeakPolarHBondContact O-CB 3.16Å; A673-N677 PolarHBondContact O-N 3.13Å; A673-N677 PolarHBondContact O-ND2 3.17Å |
| 674 | V | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.1 | -51.6 | 172.2 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | L270 S670 Y671 I672 V676 N677 I678 E707 I710 I711 | L270-V674 HydrophobicContact CD2-CB 4.31Å; L270-V674 HydrophobicContact CD2-CG2 3.85Å; S670-V674 PolarHBondContact O-N 3.15Å; Y671-V674 WeakPolarHBondContact O-CB 3.29Å; Y671-V674 PolarHBondContact O-N 3.3Å; Y671-V674 VanDerWaalsContact O-N 3.11Å; I672-V674 VanDerWaalsContact C-N 3.32Å; I672-V674 PolarHBondContact O-N 3.43Å; V674-V676 PolarHBondContact O-N 3.49Å; V674-N677 PolarHBondContact O-N 3.22Å; V674-I678 HydrophobicContact CG1-CG1 4.48Å; V674-I678 WeakPolarHBondContact O-CG1 3.26Å; V674-I678 PolarHBondContact O-N 2.94Å; V674-E707 HydrophobicContact CG1-CG 4.29Å; V674-I710 HydrophobicContact CG1-CB 3.98Å; V674-I710 HydrophobicContact CG1-CG2 3.63Å; V674-I710 HydrophobicContact CG2-CG2 3.98Å; V674-I711 HydrophobicContact CB-CG1 4.3Å; V674-I711 HydrophobicContact CG1-CG1 3.87Å |
| 675 | I | 95.3 | Very high | 93.3 | Very high | 73 Ų | 73 | 24.3 Ų | 24.3 | 37% | 0.374 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -57.8 | -49.5 | -179.7 | -56.7 | 172.4 | 0 | 0 | 0 | 110.4 | Y671 I672 I678 A679 E707 I711 | Y671-I675 PolarHBondContact O-N 3.47Å; I672-I675 WeakPolarHBondContact O-CB 3.43Å; I672-I675 PolarHBondContact O-N 3.17Å; I675-I678 PolarHBondContact O-N 3.35Å; I675-A679 VanDerWaalsContact O-CB 3.23Å; I675-A679 WeakPolarHBondContact O-CB 3.39Å; I675-A679 PolarHBondContact O-N 2.81Å; I675-E707 HydrophobicContact CG1-CG 4.46Å; I675-I711 HydrophobicContact CG1-CD1 4.42Å |
| 676 | V | 95.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 4% | 0.036 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.3 | -47.2 | -177.9 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | F438 F442 M617 F618 I672 V674 I678 A679 L680 | F438-V676 HydrophobicContact CE1-CG1 4.31Å; F438-V676 HydrophobicContact CE1-CG2 3.66Å; F438-V676 HydrophobicContact CZ-CG2 4.05Å; F442-V676 HydrophobicContact CZ-CG1 4.27Å; F442-V676 HydrophobicContact CZ-CG2 4.4Å; M617-V676 HydrophobicContact CB-CB 4.48Å; M617-V676 HydrophobicContact CB-CG1 4.09Å; M617-V676 HydrophobicContact SD-CG2 4.19Å; F618-V676 HydrophobicContact CE1-CG1 4.39Å; I672-V676 HydrophobicContact CG2-CG2 3.99Å; I672-V676 WeakPolarHBondContact O-CG2 3.27Å; I672-V676 PolarHBondContact O-N 3.07Å; V674-V676 PolarHBondContact O-N 3.49Å; V676-I678 PolarHBondContact O-N 2.88Å; V676-A679 PolarHBondContact O-N 3.36Å; V676-L680 HydrophobicContact CG1-CD1 3.73Å; V676-L680 HydrophobicContact CG1-CG 4.24Å; V676-L680 WeakPolarHBondContact O-CB 3.4Å; V676-L680 WeakPolarHBondContact O-CG 3.27Å; V676-L680 PolarHBondContact O-N 2.85Å |
| 677 | N | 94.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.027 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.7 | -42 | -179.7 | -81.1 | -86.8 | 0 | 0 | 0 | 111.4 | A266 L270 S616 A673 V674 L680 L681 | A266-N677 HydrophobicContact CB-CB 4.19Å; L270-N677 HydrophobicContact CD1-CB 4.14Å; L270-N677 HydrophobicContact CD2-CB 4.22Å; L270-N677 HydrophobicContact CG-CB 4.29Å; S616-N677 PolarHBondContact O-ND2 2.89Å; A673-N677 WeakPolarHBondContact O-CB 3.16Å; A673-N677 PolarHBondContact O-N 3.13Å; A673-N677 PolarHBondContact O-ND2 3.17Å; V674-N677 PolarHBondContact O-N 3.22Å; N677-L680 PolarHBondContact O-N 3.32Å; N677-L681 WeakPolarHBondContact O-CG 3.37Å; N677-L681 PolarHBondContact O-N 3.31Å; N677-L681 VanDerWaalsContact O-N 3.14Å |
| 678 | I | 93.2 | Very high | 91.7 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 5% | 0.046 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69 | -41.8 | 177.9 | -62.3 | -55.3 | 0 | 0 | 0 | 111.9 | V674 I675 V676 L680 L681 G682 L703 I706 E707 I710 | V674-I678 HydrophobicContact CG1-CG1 4.48Å; V674-I678 WeakPolarHBondContact O-CG1 3.26Å; V674-I678 PolarHBondContact O-N 2.94Å; I675-I678 PolarHBondContact O-N 3.35Å; V676-I678 PolarHBondContact O-N 2.88Å; I678-L680 VanDerWaalsContact C-N 3.33Å; I678-L680 PolarHBondContact O-N 3.39Å; I678-L681 HydrophobicContact CD1-CD1 4Å; I678-L681 WeakPolarHBondContact O-CB 3.3Å; I678-L681 PolarHBondContact O-N 3.28Å; I678-L681 VanDerWaalsContact O-N 3.17Å; I678-G682 PolarHBondContact O-N 3.02Å; I678-L703 HydrophobicContact CG2-CB 4.13Å; I678-L703 HydrophobicContact CG2-CD2 4.24Å; I678-I706 HydrophobicContact CD1-CG2 4.08Å; I678-E707 HydrophobicContact CB-CB 4.41Å; I678-E707 HydrophobicContact CG1-CB 4.38Å; I678-E707 HydrophobicContact CG2-CB 4.14Å; I678-I710 HydrophobicContact CD1-CD1 3.74Å; I678-I710 HydrophobicContact CG1-CD1 4.24Å |
| 679 | A | 92.5 | Very high | 91.2 | Very high | 33 Ų | 33 | 31.2 Ų | 31.2 | 27% | 0.273 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | F442 I675 V676 L681 G682 I683 | F442-A679 HydrophobicContact CD1-CB 4.36Å; F442-A679 HydrophobicContact CE1-CB 3.47Å; F442-A679 VanDerWaalsContact CE1-CB 3.47Å; F442-A679 HydrophobicContact CZ-CB 4.06Å; I675-A679 VanDerWaalsContact O-CB 3.23Å; I675-A679 WeakPolarHBondContact O-CB 3.39Å; I675-A679 PolarHBondContact O-N 2.81Å; V676-A679 PolarHBondContact O-N 3.36Å; A679-L681 VanDerWaalsContact C-N 3.32Å; A679-L681 PolarHBondContact O-N 3.19Å; A679-G682 PolarHBondContact O-N 3.45Å; A679-I683 PolarHBondContact O-N 2.83Å; A679-I683 VanDerWaalsContact O-N 3.13Å |
| 680 | L | 91.9 | Very high | 90.6 | Very high | 15 Ų | 15 | 34.9 Ų | 34.9 | 8% | 0.079 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.8 | -34.9 | 174.3 | -73.3 | 171 | 0 | 0 | 0 | 112.6 | A441 L447 L450 F618 I621 V676 N677 I678 G682 I683 S684 | A441-L680 HydrophobicContact CB-CD2 3.96Å; L447-L680 HydrophobicContact CD2-CD2 3.96Å; L450-L680 HydrophobicContact CD2-CD2 4.05Å; F618-L680 HydrophobicContact CD1-CD1 4.48Å; I621-L680 HydrophobicContact CD1-CD1 3.43Å; I621-L680 VanDerWaalsContact CD1-CD1 3.43Å; I621-L680 HydrophobicContact CD1-CD2 3.9Å; I621-L680 HydrophobicContact CD1-CG 4.25Å; I621-L680 HydrophobicContact CG1-CD1 4.38Å; V676-L680 HydrophobicContact CG1-CD1 3.73Å; V676-L680 HydrophobicContact CG1-CG 4.24Å; V676-L680 WeakPolarHBondContact O-CB 3.4Å; V676-L680 WeakPolarHBondContact O-CG 3.27Å; V676-L680 PolarHBondContact O-N 2.85Å; N677-L680 PolarHBondContact O-N 3.32Å; I678-L680 VanDerWaalsContact C-N 3.33Å; I678-L680 PolarHBondContact O-N 3.39Å; L680-G682 VanDerWaalsContact C-N 3.32Å; L680-G682 PolarHBondContact O-N 3.44Å; L680-I683 PolarHBondContact O-N 2.81Å; L680-S684 WeakPolarHBondContact O-CB 3.4Å; L680-S684 PolarHBondContact O-N 2.77Å; L680-S684 PolarHBondContact O-OG 2.97Å |
| 681 | L | 89.7 | Confident | 90.2 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.063 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 174 | -69.9 | 171.8 | 0 | 0 | 0 | 112.1 | L263 A266 N677 I678 A679 S684 | L263-L681 VanDerWaalsContact CA-CD2 3.49Å; L263-L681 HydrophobicContact CB-CD2 4.09Å; L263-L681 HydrophobicContact CD1-CD1 3.7Å; L263-L681 HydrophobicContact CD1-CD2 4.24Å; A266-L681 HydrophobicContact CB-CD1 4.03Å; A266-L681 HydrophobicContact CB-CD2 4.27Å; A266-L681 HydrophobicContact CB-CG 4.29Å; N677-L681 WeakPolarHBondContact O-CG 3.37Å; N677-L681 PolarHBondContact O-N 3.31Å; N677-L681 VanDerWaalsContact O-N 3.14Å; I678-L681 HydrophobicContact CD1-CD1 4Å; I678-L681 WeakPolarHBondContact O-CB 3.3Å; I678-L681 PolarHBondContact O-N 3.28Å; I678-L681 VanDerWaalsContact O-N 3.17Å; A679-L681 VanDerWaalsContact C-N 3.32Å; A679-L681 PolarHBondContact O-N 3.19Å; L681-S684 PolarHBondContact O-OG 2.91Å |
| 682 | G | 89 | Confident | 89.7 | Confident | 26 Ų | 26 | 39.8 Ų | 39.8 | 27% | 0.268 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.8 | -45 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I678 A679 L680 G685 L703 | I678-G682 PolarHBondContact O-N 3.02Å; A679-G682 PolarHBondContact O-N 3.45Å; L680-G682 VanDerWaalsContact C-N 3.32Å; L680-G682 PolarHBondContact O-N 3.44Å; G682-G685 PolarHBondContact O-N 3.26Å; G682-L703 VanDerWaalsContact CA-CD1 3.48Å |
| 683 | I | 87.7 | Confident | 89.4 | Confident | 48 Ų | 48 | 44.9 Ų | 44.9 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.4 | -34.7 | -177.6 | -67.1 | 175.4 | 0 | 0 | 0 | 112.4 | A441 F442 K445 L447 A679 L680 G685 | A441-I683 WeakPolarHBondContact O-CD1 3.49Å; F442-I683 HydrophobicContact CD1-CD1 3.5Å; F442-I683 HydrophobicContact CE1-CD1 4.07Å; K445-I683 HydrophobicContact CB-CG2 3.98Å; K445-I683 HydrophobicContact CG-CD1 4.45Å; K445-I683 HydrophobicContact CG-CG2 4.32Å; L447-I683 HydrophobicContact CD2-CG2 4.26Å; L447-I683 HydrophobicContact CG-CG2 4.42Å; A679-I683 PolarHBondContact O-N 2.83Å; A679-I683 VanDerWaalsContact O-N 3.13Å; L680-I683 PolarHBondContact O-N 2.81Å; I683-G685 PolarHBondContact O-N 3.23Å |
| 684 | S | 84.2 | Confident | 89.1 | Confident | 23 Ų | 23 | 47.2 Ų | 47.2 | 16% | 0.161 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -9.2 | 178.5 | 71.6 | 0 | 0 | 0 | 0 | 114.9 | L447 L680 L681 T686 | L447-S684 VanDerWaalsContact CD1-CA 3.44Å; L447-S684 VanDerWaalsContact CD1-CB 3.48Å; L680-S684 WeakPolarHBondContact O-CB 3.4Å; L680-S684 PolarHBondContact O-N 2.77Å; L680-S684 PolarHBondContact O-OG 2.97Å; L681-S684 PolarHBondContact O-OG 2.91Å; S684-T686 PolarHBondContact O-N 3.19Å; S684-T686 VanDerWaalsContact O-N 3.16Å; S684-T686 WeakPolarHBondContact OG-CB 3.35Å; S684-T686 PolarHBondContact OG-N 3.02Å; S684-T686 PolarHBondContact OG-OG1 3.36Å |
| 685 | G | 83.3 | Confident | 88.9 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 25% | 0.247 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | -1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G682 I683 A687 Q688 R689 | G682-G685 PolarHBondContact O-N 3.26Å; I683-G685 PolarHBondContact O-N 3.23Å; G685-A687 PolarHBondContact O-N 3.31Å; G685-Q688 PolarHBondContact O-N 3.49Å; G685-R689 WeakPolarHBondContact O-CG 3.29Å; G685-R689 PolarHBondContact O-N 2.84Å; G685-R689 VanDerWaalsContact O-N 3.08Å |
| 686 | T | 84.9 | Confident | 88.5 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.012 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 177.9 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | S259 L263 S684 Q688 R689 L690 | S259-T686 WeakPolarHBondContact CA-OG1 3.49Å; S259-T686 WeakPolarHBondContact O-CG2 2.92Å; S259-T686 PolarHBondContact O-OG1 3.16Å; L263-T686 HydrophobicContact CB-CG2 4.19Å; S684-T686 PolarHBondContact O-N 3.19Å; S684-T686 VanDerWaalsContact O-N 3.16Å; S684-T686 WeakPolarHBondContact OG-CB 3.35Å; S684-T686 PolarHBondContact OG-N 3.02Å; S684-T686 PolarHBondContact OG-OG1 3.36Å; T686-Q688 VanDerWaalsContact C-N 3.35Å; T686-Q688 PolarHBondContact O-N 3.18Å; T686-R689 PolarHBondContact O-N 2.9Å; T686-L690 HydrophobicContact CG2-CD1 3.97Å; T686-L690 WeakPolarHBondContact O-CG 3.4Å; T686-L690 PolarHBondContact O-N 2.92Å |
| 687 | A | 86 | Confident | 88.3 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 7% | 0.066 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.6 | -42 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G685 R689 L690 F691 L699 L703 | G685-A687 PolarHBondContact O-N 3.31Å; A687-R689 VanDerWaalsContact C-N 3.3Å; A687-R689 PolarHBondContact O-N 2.92Å; A687-L690 PolarHBondContact O-N 3Å; A687-F691 PolarHBondContact O-N 2.92Å; A687-L699 HydrophobicContact CB-CD1 4Å; A687-L699 HydrophobicContact CB-CD2 4.24Å; A687-L699 HydrophobicContact CB-CG 4.37Å; A687-L703 HydrophobicContact CB-CD1 4.39Å; A687-L703 HydrophobicContact CB-CD2 4.1Å |
| 688 | Q | 85.9 | Confident | 88.3 | Confident | 76 Ų | 76 | 58.2 Ų | 58.2 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.2 | -33.8 | 178.6 | -171.2 | 68.9 | 50.8 | 0 | 0 | 111.8 | G685 T686 F691 P692 L694 L699 | G685-Q688 PolarHBondContact O-N 3.49Å; T686-Q688 VanDerWaalsContact C-N 3.35Å; T686-Q688 PolarHBondContact O-N 3.18Å; Q688-F691 CarbonylContact O-C 3.41Å; Q688-P692 WeakPolarHBondContact O-CA 3.33Å; Q688-L694 PolarHBondContact NE2-O 3.37Å; Q688-L699 HydrophobicContact CB-CD1 4Å |
| 689 | R | 84.2 | Confident | 88.2 | Confident | 167 Ų | 167 | 58.4 Ų | 58.4 | 63% | 0.63 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -72.5 | -33.8 | 176.2 | -71.2 | 172.9 | -177.2 | 173.7 | 2 | 112.8 | S259 G685 T686 A687 | S259-R689 VanDerWaalsContact OG-CD 3.27Å; S259-R689 WeakPolarHBondContact OG-CD 3.45Å; S259-R689 PolarHBondContact OG-NH1 2.82Å; G685-R689 WeakPolarHBondContact O-CG 3.29Å; G685-R689 PolarHBondContact O-N 2.84Å; G685-R689 VanDerWaalsContact O-N 3.08Å; T686-R689 PolarHBondContact O-N 2.9Å; A687-R689 VanDerWaalsContact C-N 3.3Å; A687-R689 PolarHBondContact O-N 2.92Å |
| 690 | L | 84.7 | Confident | 88.2 | Confident | 80 Ų | 80 | 62 Ų | 62 | 42% | 0.419 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -75.6 | -37.2 | 177.2 | -74.6 | 167 | 0 | 0 | 0 | 112.3 | L263 T686 A687 P692 | L263-L690 HydrophobicContact CD2-CD1 3.57Å; T686-L690 HydrophobicContact CG2-CD1 3.97Å; T686-L690 WeakPolarHBondContact O-CG 3.4Å; T686-L690 PolarHBondContact O-N 2.92Å; A687-L690 PolarHBondContact O-N 3Å; L690-P692 VanDerWaalsContact C-CD 3.4Å; L690-P692 VanDerWaalsContact O-CD 3.31Å; L690-P692 WeakPolarHBondContact O-CD 3.27Å |
| 691 | F | 87.4 | Confident | 88.2 | Confident | 92 Ų | 92 | 66.2 Ų | 66.2 | 40% | 0.404 | 36% | 0.364 | S | S | . | . | trans | -121.4 | 69.1 | -179.9 | -56.7 | -76.5 | 0 | 0 | 0 | 110.8 | A687 Q688 N693 L694 F702 | A687-F691 PolarHBondContact O-N 2.92Å; Q688-F691 CarbonylContact O-C 3.41Å; F691-N693 PolarHBondContact O-N 3.01Å; F691-N693 VanDerWaalsContact O-N 3.15Å; F691-L694 HydrophobicContact CB-CD1 3.71Å; F691-L694 HydrophobicContact CB-CG 4.07Å; F691-L694 HydrophobicContact CG-CD1 4.23Å; F691-L694 PolarHBondContact O-N 3.4Å; F691-F702 HydrophobicContact CD2-CD1 4.47Å; F691-F702 AromaticContact CD2-CE1 3.85Å; F691-F702 HydrophobicContact CD2-CE1 3.85Å; F691-F702 HydrophobicContact CE1-CE1 4.49Å; F691-F702 HydrophobicContact CE1-CZ 4.38Å; F691-F702 HydrophobicContact CE2-CD1 4.49Å; F691-F702 AromaticContact CE2-CE1 3.51Å; F691-F702 HydrophobicContact CE2-CE1 3.51Å; F691-F702 HydrophobicContact CE2-CZ 4.07Å; F691-F702 HydrophobicContact CG-CE1 4.48Å; F691-F702 AromaticContact CZ-CE1 3.86Å; F691-F702 HydrophobicContact CZ-CE1 3.86Å; F691-F702 AromaticContact CZ-CZ 3.92Å; F691-F702 HydrophobicContact CZ-CZ 3.92Å | ||
| 692 | P | 85.4 | Confident | 88.4 | Confident | 88 Ų | 88 | 68.8 Ų | 68.8 | 57% | 0.571 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.6 | -176.6 | 26.6 | -35.2 | 0 | 0 | 0 | 113.2 | Q688 L690 L694 | Q688-P692 WeakPolarHBondContact O-CA 3.33Å; L690-P692 VanDerWaalsContact C-CD 3.4Å; L690-P692 VanDerWaalsContact O-CD 3.31Å; L690-P692 WeakPolarHBondContact O-CD 3.27Å; P692-L694 VanDerWaalsContact C-N 3.3Å; P692-L694 PolarHBondContact O-N 2.85Å |
| 693 | N | 90.6 | Very high | 88.5 | Confident | 155 Ų | 155 | 68.6 Ų | 68.6 | 83% | 0.829 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -12.1 | -177.3 | -61.7 | -10.8 | 0 | 0 | 0 | 113.8 | F691 | F691-N693 PolarHBondContact O-N 3.01Å; F691-N693 VanDerWaalsContact O-N 3.15Å |
| 694 | L | 89.2 | Confident | 88.9 | Confident | 49 Ų | 49 | 69.2 Ų | 69.2 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -90.8 | 136.4 | -177.3 | -62.6 | 178.7 | 0 | 0 | 0 | 111 | Q688 F691 P692 Q698 L699 F702 | Q688-L694 PolarHBondContact NE2-O 3.37Å; F691-L694 HydrophobicContact CB-CD1 3.71Å; F691-L694 HydrophobicContact CB-CG 4.07Å; F691-L694 HydrophobicContact CG-CD1 4.23Å; F691-L694 PolarHBondContact O-N 3.4Å; P692-L694 VanDerWaalsContact C-N 3.3Å; P692-L694 PolarHBondContact O-N 2.85Å; L694-Q698 HydrophobicContact CB-CB 4.25Å; L694-Q698 HydrophobicContact CD2-CB 4.3Å; L694-L699 HydrophobicContact CB-CB 4.43Å; L694-F702 HydrophobicContact CD1-CB 4.39Å; L694-F702 HydrophobicContact CD1-CD1 4.38Å; L694-F702 HydrophobicContact CD1-CG 4.33Å |
| 695 | S | 91.8 | Very high | 89.4 | Confident | 51 Ų | 51 | 73.5 Ų | 73.5 | 36% | 0.357 | 40% | 0.395 | S | S | . | . | trans | -67.3 | 160.2 | 169 | 74.2 | 0 | 0 | 0 | 0 | 111 | S697 Q698 L699 | S695-S697 PolarHBondContact O-N 3.43Å; S695-S697 PolarHBondContact OG-OG 2.85Å; S695-Q698 VanDerWaalsContact N-OE1 3.12Å; S695-Q698 PolarHBondContact O-N 3.48Å; S695-Q698 VanDerWaalsContact O-N 3.1Å; S695-Q698 VanDerWaalsContact OG-CG 3.26Å; S695-Q698 WeakPolarHBondContact OG-CG 3.44Å; S695-Q698 PolarHBondContact OG-N 3.1Å; S695-Q698 PolarHBondContact OG-OE1 3.35Å; S695-L699 WeakPolarHBondContact O-CB 3.5Å; S695-L699 PolarHBondContact O-N 3.45Å | ||
| 696 | S | 88.4 | Confident | 89.8 | Confident | 88 Ų | 88 | 75.1 Ų | 75.1 | 62% | 0.615 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -56.9 | -36.4 | -178.5 | -47.9 | 0 | 0 | 0 | 0 | 113.3 | I700 | S696-I700 WeakPolarHBondContact O-CD1 3.35Å; S696-I700 VanDerWaalsContact O-CG1 3.29Å; S696-I700 WeakPolarHBondContact O-CG1 3.33Å; S696-I700 PolarHBondContact O-N 3.48Å |
| 697 | S | 90.2 | Very high | 90.3 | Very high | 76 Ų | 76 | 76.5 Ų | 76.5 | 53% | 0.531 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -72.2 | -42.1 | 176.6 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | S695 L699 I700 I701 | S695-S697 PolarHBondContact O-N 3.43Å; S695-S697 PolarHBondContact OG-OG 2.85Å; S697-L699 VanDerWaalsContact C-N 3.3Å; S697-L699 PolarHBondContact O-N 2.94Å; S697-I700 PolarHBondContact O-N 3.35Å; S697-I701 WeakPolarHBondContact O-CG1 3.49Å; S697-I701 PolarHBondContact O-N 2.89Å; S697-I701 VanDerWaalsContact O-N 3.07Å |
| 698 | Q | 93.2 | Very high | 90.8 | Very high | 101 Ų | 101 | 80.7 Ų | 80.7 | 47% | 0.472 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 175.1 | -72.4 | 171.3 | -14.9 | 0 | 0 | 111.4 | L694 S695 I701 F702 | L694-Q698 HydrophobicContact CB-CB 4.25Å; L694-Q698 HydrophobicContact CD2-CB 4.3Å; S695-Q698 VanDerWaalsContact N-OE1 3.12Å; S695-Q698 PolarHBondContact O-N 3.48Å; S695-Q698 VanDerWaalsContact O-N 3.1Å; S695-Q698 VanDerWaalsContact OG-CG 3.26Å; S695-Q698 WeakPolarHBondContact OG-CG 3.44Å; S695-Q698 PolarHBondContact OG-N 3.1Å; S695-Q698 PolarHBondContact OG-OE1 3.35Å; Q698-I701 PolarHBondContact O-N 2.88Å; Q698-F702 VanDerWaalsContact O-CB 3.26Å; Q698-F702 WeakPolarHBondContact O-CB 3.33Å; Q698-F702 PolarHBondContact O-N 2.99Å |
| 699 | L | 91.5 | Very high | 91.2 | Very high | 13 Ų | 13 | 79.5 Ų | 79.5 | 7% | 0.068 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64 | -42.8 | 176.7 | -175.7 | 147.4 | 0 | 0 | 0 | 111.8 | A687 Q688 L694 S695 S697 F702 L703 | A687-L699 HydrophobicContact CB-CD1 4Å; A687-L699 HydrophobicContact CB-CD2 4.24Å; A687-L699 HydrophobicContact CB-CG 4.37Å; Q688-L699 HydrophobicContact CB-CD1 4Å; L694-L699 HydrophobicContact CB-CB 4.43Å; S695-L699 WeakPolarHBondContact O-CB 3.5Å; S695-L699 PolarHBondContact O-N 3.45Å; S697-L699 VanDerWaalsContact C-N 3.3Å; S697-L699 PolarHBondContact O-N 2.94Å; L699-F702 PolarHBondContact O-N 3.21Å; L699-L703 HydrophobicContact CD2-CD1 3.56Å; L699-L703 HydrophobicContact CD2-CG 4.08Å; L699-L703 WeakPolarHBondContact O-CG 3.36Å; L699-L703 PolarHBondContact O-N 2.79Å |
| 700 | I | 92 | Very high | 91.7 | Very high | 107 Ų | 107 | 73.8 Ų | 73.8 | 55% | 0.549 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 176.3 | -68.5 | 164.3 | 0 | 0 | 0 | 110.4 | S696 S697 F702 L703 V704 | S696-I700 WeakPolarHBondContact O-CD1 3.35Å; S696-I700 VanDerWaalsContact O-CG1 3.29Å; S696-I700 WeakPolarHBondContact O-CG1 3.33Å; S696-I700 PolarHBondContact O-N 3.48Å; S697-I700 PolarHBondContact O-N 3.35Å; I700-F702 VanDerWaalsContact C-N 3.28Å; I700-F702 PolarHBondContact O-N 2.93Å; I700-L703 PolarHBondContact O-N 2.98Å; I700-V704 HydrophobicContact CG2-CG2 4.48Å; I700-V704 WeakPolarHBondContact O-CG2 3.3Å; I700-V704 PolarHBondContact O-N 2.76Å |
| 701 | I | 93.4 | Very high | 92.2 | Very high | 104 Ų | 104 | 72 Ų | 72 | 53% | 0.533 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 177.2 | -66 | 166.2 | 0 | 0 | 0 | 110.3 | S697 Q698 L703 V704 L705 | S697-I701 WeakPolarHBondContact O-CG1 3.49Å; S697-I701 PolarHBondContact O-N 2.89Å; S697-I701 VanDerWaalsContact O-N 3.07Å; Q698-I701 PolarHBondContact O-N 2.88Å; I701-L703 PolarHBondContact O-N 3.28Å; I701-V704 PolarHBondContact O-N 2.78Å; I701-L705 HydrophobicContact CG2-CD1 4.23Å; I701-L705 HydrophobicContact CG2-CG 4.47Å; I701-L705 WeakPolarHBondContact O-CG 3.4Å; I701-L705 PolarHBondContact O-N 2.94Å |
| 702 | F | 92.4 | Very high | 92.6 | Very high | 67 Ų | 67 | 73 Ų | 73 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 177.7 | -179.8 | -108.3 | 0 | 0 | 0 | 112.6 | F691 L694 Q698 L699 I700 L705 I706 | F691-F702 HydrophobicContact CD2-CD1 4.47Å; F691-F702 AromaticContact CD2-CE1 3.85Å; F691-F702 HydrophobicContact CD2-CE1 3.85Å; F691-F702 HydrophobicContact CE1-CE1 4.49Å; F691-F702 HydrophobicContact CE1-CZ 4.38Å; F691-F702 HydrophobicContact CE2-CD1 4.49Å; F691-F702 AromaticContact CE2-CE1 3.51Å; F691-F702 HydrophobicContact CE2-CE1 3.51Å; F691-F702 HydrophobicContact CE2-CZ 4.07Å; F691-F702 HydrophobicContact CG-CE1 4.48Å; F691-F702 AromaticContact CZ-CE1 3.86Å; F691-F702 HydrophobicContact CZ-CE1 3.86Å; F691-F702 AromaticContact CZ-CZ 3.92Å; F691-F702 HydrophobicContact CZ-CZ 3.92Å; L694-F702 HydrophobicContact CD1-CB 4.39Å; L694-F702 HydrophobicContact CD1-CD1 4.38Å; L694-F702 HydrophobicContact CD1-CG 4.33Å; Q698-F702 VanDerWaalsContact O-CB 3.26Å; Q698-F702 WeakPolarHBondContact O-CB 3.33Å; Q698-F702 PolarHBondContact O-N 2.99Å; L699-F702 PolarHBondContact O-N 3.21Å; I700-F702 VanDerWaalsContact C-N 3.28Å; I700-F702 PolarHBondContact O-N 2.93Å; F702-L705 PolarHBondContact O-N 3.28Å; F702-I706 HydrophobicContact CD1-CD1 3.84Å; F702-I706 HydrophobicContact CE1-CD1 3.3Å; F702-I706 HydrophobicContact CE1-CG1 4.34Å; F702-I706 HydrophobicContact CE2-CD1 4.24Å; F702-I706 HydrophobicContact CZ-CD1 3.54Å; F702-I706 HydrophobicContact CZ-CG1 4.28Å; F702-I706 WeakPolarHBondContact O-CG1 3.49Å; F702-I706 PolarHBondContact O-N 3.41Å |
| 703 | L | 92.7 | Very high | 92.9 | Very high | 22 Ų | 22 | 72.7 Ų | 72.7 | 12% | 0.115 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 175.1 | -71.9 | 179 | 0 | 0 | 0 | 112 | I678 G682 A687 L699 I700 I701 L705 I706 E707 | I678-L703 HydrophobicContact CG2-CB 4.13Å; I678-L703 HydrophobicContact CG2-CD2 4.24Å; G682-L703 VanDerWaalsContact CA-CD1 3.48Å; A687-L703 HydrophobicContact CB-CD1 4.39Å; A687-L703 HydrophobicContact CB-CD2 4.1Å; L699-L703 HydrophobicContact CD2-CD1 3.56Å; L699-L703 HydrophobicContact CD2-CG 4.08Å; L699-L703 WeakPolarHBondContact O-CG 3.36Å; L699-L703 PolarHBondContact O-N 2.79Å; I700-L703 PolarHBondContact O-N 2.98Å; I701-L703 PolarHBondContact O-N 3.28Å; L703-L705 VanDerWaalsContact C-N 3.31Å; L703-L705 PolarHBondContact O-N 3.41Å; L703-I706 PolarHBondContact O-N 2.86Å; L703-E707 WeakPolarHBondContact O-CB 3.02Å; L703-E707 PolarHBondContact O-N 3.5Å |
| 704 | V | 94.5 | Very high | 93 | Very high | 61 Ų | 61 | 65.5 Ų | 65.5 | 37% | 0.37 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 175.5 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | I700 I701 E707 H708 | I700-V704 HydrophobicContact CG2-CG2 4.48Å; I700-V704 WeakPolarHBondContact O-CG2 3.3Å; I700-V704 PolarHBondContact O-N 2.76Å; I701-V704 PolarHBondContact O-N 2.78Å; V704-E707 WeakPolarHBondContact O-CB 3.21Å; V704-E707 PolarHBondContact O-N 3.22Å; V704-H708 PolarHBondContact O-N 3.43Å; V704-H708 PolarHBondContact O-ND1 3.16Å |
| 705 | L | 95.5 | Very high | 93.2 | Very high | 113 Ų | 113 | 65.1 Ų | 65.1 | 59% | 0.592 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 174.8 | -71.2 | 174.1 | 0 | 0 | 0 | 112 | I701 F702 L703 H708 A709 | I701-L705 HydrophobicContact CG2-CD1 4.23Å; I701-L705 HydrophobicContact CG2-CG 4.47Å; I701-L705 WeakPolarHBondContact O-CG 3.4Å; I701-L705 PolarHBondContact O-N 2.94Å; F702-L705 PolarHBondContact O-N 3.28Å; L703-L705 VanDerWaalsContact C-N 3.31Å; L703-L705 PolarHBondContact O-N 3.41Å; L705-H708 PolarHBondContact O-N 3Å; L705-A709 WeakPolarHBondContact O-CB 3.03Å; L705-A709 PolarHBondContact O-N 2.95Å |
| 706 | I | 92.8 | Very high | 93.2 | Very high | 57 Ų | 57 | 64.6 Ų | 64.6 | 29% | 0.292 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 174.2 | -72.6 | 173.8 | 0 | 0 | 0 | 110.7 | I678 F702 L703 H708 A709 I710 | I678-I706 HydrophobicContact CD1-CG2 4.08Å; F702-I706 HydrophobicContact CD1-CD1 3.84Å; F702-I706 HydrophobicContact CE1-CD1 3.3Å; F702-I706 HydrophobicContact CE1-CG1 4.34Å; F702-I706 HydrophobicContact CE2-CD1 4.24Å; F702-I706 HydrophobicContact CZ-CD1 3.54Å; F702-I706 HydrophobicContact CZ-CG1 4.28Å; F702-I706 WeakPolarHBondContact O-CG1 3.49Å; F702-I706 PolarHBondContact O-N 3.41Å; L703-I706 PolarHBondContact O-N 2.86Å; I706-H708 PolarHBondContact O-N 3.01Å; I706-A709 PolarHBondContact O-N 3.19Å; I706-I710 HydrophobicContact CG2-CD1 3.74Å; I706-I710 HydrophobicContact CG2-CG1 4.4Å; I706-I710 WeakPolarHBondContact O-CG1 3.27Å; I706-I710 PolarHBondContact O-N 3.05Å |
| 707 | E | 94.8 | Very high | 93.4 | Very high | 31 Ų | 31 | 63.1 Ų | 63.1 | 15% | 0.145 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.2 | -51.7 | 177 | -174.3 | -166.8 | 124.1 | 0 | 0 | 110.9 | V674 I675 I678 L703 V704 A709 I710 I711 | V674-E707 HydrophobicContact CG1-CG 4.29Å; I675-E707 HydrophobicContact CG1-CG 4.46Å; I678-E707 HydrophobicContact CB-CB 4.41Å; I678-E707 HydrophobicContact CG1-CB 4.38Å; I678-E707 HydrophobicContact CG2-CB 4.14Å; L703-E707 WeakPolarHBondContact O-CB 3.02Å; L703-E707 PolarHBondContact O-N 3.5Å; V704-E707 WeakPolarHBondContact O-CB 3.21Å; V704-E707 PolarHBondContact O-N 3.22Å; E707-A709 VanDerWaalsContact C-N 3.34Å; E707-A709 PolarHBondContact O-N 2.98Å; E707-I710 PolarHBondContact O-N 2.89Å; E707-I711 HydrophobicContact CG-CD1 3.99Å; E707-I711 WeakPolarHBondContact O-CG1 3.45Å; E707-I711 PolarHBondContact O-N 3.42Å |
| 708 | H | 95.6 | Very high | 93.4 | Very high | 97 Ų | 97 | 60.5 Ų | 60.5 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64 | -38.6 | 178.7 | -74.7 | 71.2 | 0 | 0 | 0 | 112 | V704 L705 I706 I710 I711 I712 | V704-H708 PolarHBondContact O-N 3.43Å; V704-H708 PolarHBondContact O-ND1 3.16Å; L705-H708 PolarHBondContact O-N 3Å; I706-H708 PolarHBondContact O-N 3.01Å; H708-I710 VanDerWaalsContact C-N 3.32Å; H708-I710 PolarHBondContact O-N 3.04Å; H708-I711 PolarHBondContact O-N 3.18Å; H708-I712 WeakPolarHBondContact O-CB 3.12Å; H708-I712 WeakPolarHBondContact O-CD1 3.43Å; H708-I712 WeakPolarHBondContact O-CG1 3.5Å; H708-I712 PolarHBondContact O-N 3.19Å |
| 709 | A | 95.5 | Very high | 93.3 | Very high | 51 Ų | 51 | 59.7 Ų | 59.7 | 42% | 0.421 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L705 I706 E707 T713 | L705-A709 WeakPolarHBondContact O-CB 3.03Å; L705-A709 PolarHBondContact O-N 2.95Å; I706-A709 PolarHBondContact O-N 3.19Å; E707-A709 VanDerWaalsContact C-N 3.34Å; E707-A709 PolarHBondContact O-N 2.98Å; A709-T713 WeakPolarHBondContact O-CB 3.34Å; A709-T713 PolarHBondContact O-N 3.1Å; A709-T713 PolarHBondContact O-OG1 3.43Å |
| 710 | I | 94 | Very high | 93.3 | Very high | 47 Ų | 47 | 65.8 Ų | 65.8 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69 | -43.1 | 176.5 | -65.8 | 167.2 | 0 | 0 | 0 | 110.9 | L270 V674 I678 I706 E707 H708 I712 T713 R714 | L270-I710 HydrophobicContact CD1-CD1 4.41Å; L270-I710 HydrophobicContact CD1-CG2 4.43Å; V674-I710 HydrophobicContact CG1-CB 3.98Å; V674-I710 HydrophobicContact CG1-CG2 3.63Å; V674-I710 HydrophobicContact CG2-CG2 3.98Å; I678-I710 HydrophobicContact CD1-CD1 3.74Å; I678-I710 HydrophobicContact CG1-CD1 4.24Å; I706-I710 HydrophobicContact CG2-CD1 3.74Å; I706-I710 HydrophobicContact CG2-CG1 4.4Å; I706-I710 WeakPolarHBondContact O-CG1 3.27Å; I706-I710 PolarHBondContact O-N 3.05Å; E707-I710 PolarHBondContact O-N 2.89Å; H708-I710 VanDerWaalsContact C-N 3.32Å; H708-I710 PolarHBondContact O-N 3.04Å; I710-I712 PolarHBondContact O-N 3.43Å; I710-T713 PolarHBondContact O-N 2.96Å; I710-R714 WeakPolarHBondContact O-CB 3.49Å; I710-R714 PolarHBondContact O-N 3.23Å |
| 711 | I | 95.2 | Very high | 93.2 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 22% | 0.215 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 176.3 | -69.7 | 170.6 | 0 | 0 | 0 | 110.5 | Y671 V674 I675 E707 H708 R714 A715 | Y671-I711 HydrophobicContact CD1-CG2 4.16Å; Y671-I711 HydrophobicContact CE1-CG2 4.18Å; V674-I711 HydrophobicContact CB-CG1 4.3Å; V674-I711 HydrophobicContact CG1-CG1 3.87Å; I675-I711 HydrophobicContact CG1-CD1 4.42Å; E707-I711 HydrophobicContact CG-CD1 3.99Å; E707-I711 WeakPolarHBondContact O-CG1 3.45Å; E707-I711 PolarHBondContact O-N 3.42Å; H708-I711 PolarHBondContact O-N 3.18Å; I711-R714 PolarHBondContact O-N 2.8Å; I711-A715 WeakPolarHBondContact O-CB 3.29Å; I711-A715 PolarHBondContact O-N 2.89Å |
| 712 | I | 95.6 | Very high | 93 | Very high | 114 Ų | 114 | 61.6 Ų | 61.6 | 59% | 0.585 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.5 | -44 | 176.9 | -69.4 | 165.1 | 0 | 0 | 0 | 110.3 | H708 I710 R714 A715 A716 | H708-I712 WeakPolarHBondContact O-CB 3.12Å; H708-I712 WeakPolarHBondContact O-CD1 3.43Å; H708-I712 WeakPolarHBondContact O-CG1 3.5Å; H708-I712 PolarHBondContact O-N 3.19Å; I710-I712 PolarHBondContact O-N 3.43Å; I712-R714 PolarHBondContact O-N 2.78Å; I712-A715 PolarHBondContact O-N 2.95Å; I712-A716 VanDerWaalsContact O-CB 3.3Å; I712-A716 WeakPolarHBondContact O-CB 3.26Å; I712-A716 PolarHBondContact O-N 2.97Å |
| 713 | T | 92.4 | Very high | 92.8 | Very high | 80 Ų | 80 | 62.8 Ų | 62.8 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 177.8 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | A709 I710 A716 I717 | A709-T713 WeakPolarHBondContact O-CB 3.34Å; A709-T713 PolarHBondContact O-N 3.1Å; A709-T713 PolarHBondContact O-OG1 3.43Å; I710-T713 PolarHBondContact O-N 2.96Å; T713-A716 WeakPolarHBondContact O-CB 3.26Å; T713-A716 PolarHBondContact O-N 3.16Å; T713-I717 HydrophobicContact CG2-CD1 4.13Å; T713-I717 VanDerWaalsContact O-CG1 3.3Å; T713-I717 WeakPolarHBondContact O-CG1 3.4Å; T713-I717 PolarHBondContact O-N 3.29Å |
| 714 | R | 91.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 64.2 Ų | 64.2 | 2% | 0.019 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.7 | -48.4 | 175.5 | -175 | -163.4 | 171 | -60.6 | -6.4 | 110.8 | D667 S670 Y671 I710 I711 I712 A716 I717 S718 | D667-R714 IonicContact OD1-CZ 3.44Å; D667-R714 IonicContact OD1-NH2 3.02Å; D667-R714 PolarHBondContact OD1-NH2 2.85Å; S670-R714 PolarHBondContact OG-NE 3.3Å; S670-R714 PolarHBondContact OG-NH2 2.94Å; Y671-R714 PolarHBondContact OH-NH1 2.92Å; I710-R714 WeakPolarHBondContact O-CB 3.49Å; I710-R714 PolarHBondContact O-N 3.23Å; I711-R714 PolarHBondContact O-N 2.8Å; I712-R714 PolarHBondContact O-N 2.78Å; R714-A716 VanDerWaalsContact C-N 3.27Å; R714-A716 PolarHBondContact O-N 3.39Å; R714-I717 PolarHBondContact O-N 3.41Å; R714-S718 PolarHBondContact NH1-OG 2.84Å; R714-S718 PolarHBondContact O-N 3.46Å; R714-S718 PolarHBondContact O-OG 3.19Å |
| 715 | A | 93.7 | Very high | 92.4 | Very high | 41 Ų | 41 | 61.7 Ų | 61.7 | 34% | 0.339 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I711 I712 S718 A719 | I711-A715 WeakPolarHBondContact O-CB 3.29Å; I711-A715 PolarHBondContact O-N 2.89Å; I712-A715 PolarHBondContact O-N 2.95Å; A715-S718 PolarHBondContact O-N 2.82Å; A715-A719 WeakPolarHBondContact O-CB 3.34Å; A715-A719 PolarHBondContact O-N 3.22Å |
| 716 | A | 93.1 | Very high | 92.2 | Very high | 40 Ų | 40 | 61.3 Ų | 61.3 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I712 T713 R714 A719 L720 | I712-A716 VanDerWaalsContact O-CB 3.3Å; I712-A716 WeakPolarHBondContact O-CB 3.26Å; I712-A716 PolarHBondContact O-N 2.97Å; T713-A716 WeakPolarHBondContact O-CB 3.26Å; T713-A716 PolarHBondContact O-N 3.16Å; R714-A716 VanDerWaalsContact C-N 3.27Å; R714-A716 PolarHBondContact O-N 3.39Å; A716-A719 PolarHBondContact O-N 2.71Å; A716-L720 HydrophobicContact CB-CD1 4.48Å; A716-L720 VanDerWaalsContact O-CB 3.23Å; A716-L720 WeakPolarHBondContact O-CB 3.14Å; A716-L720 WeakPolarHBondContact O-CG 3.43Å; A716-L720 PolarHBondContact O-N 2.91Å |
| 717 | I | 91.2 | Very high | 92 | Very high | 57 Ų | 57 | 61.5 Ų | 61.5 | 29% | 0.292 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60 | -47.8 | 174.1 | -67.6 | 165.5 | 0 | 0 | 0 | 110.1 | E278 T713 R714 A719 L720 V721 | E278-I717 HydrophobicContact CG-CG2 4.2Å; T713-I717 HydrophobicContact CG2-CD1 4.13Å; T713-I717 VanDerWaalsContact O-CG1 3.3Å; T713-I717 WeakPolarHBondContact O-CG1 3.4Å; T713-I717 PolarHBondContact O-N 3.29Å; R714-I717 PolarHBondContact O-N 3.41Å; I717-A719 PolarHBondContact O-N 2.93Å; I717-L720 PolarHBondContact O-N 3.47Å; I717-V721 HydrophobicContact CG2-CG2 3.93Å; I717-V721 WeakPolarHBondContact O-CB 3.36Å; I717-V721 VanDerWaalsContact O-CG2 3.3Å; I717-V721 WeakPolarHBondContact O-CG2 3.49Å; I717-V721 PolarHBondContact O-N 2.91Å |
| 718 | S | 90.9 | Very high | 91.7 | Very high | 20 Ų | 20 | 60.1 Ų | 60.1 | 14% | 0.14 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.5 | -30.6 | 176.8 | -64.7 | 0 | 0 | 0 | 0 | 113.1 | E278 R714 A715 | E278-S718 VanDerWaalsContact OE1-CB 3.3Å; E278-S718 WeakPolarHBondContact OE1-CB 3.27Å; E278-S718 PolarHBondContact OE1-OG 2.72Å; R714-S718 PolarHBondContact NH1-OG 2.84Å; R714-S718 PolarHBondContact O-N 3.46Å; R714-S718 PolarHBondContact O-OG 3.19Å; A715-S718 PolarHBondContact O-N 2.82Å |
| 719 | A | 91.4 | Very high | 91.6 | Very high | 85 Ų | 85 | 59.1 Ų | 59.1 | 70% | 0.702 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -84.5 | -34 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A715 A716 I717 | A715-A719 WeakPolarHBondContact O-CB 3.34Å; A715-A719 PolarHBondContact O-N 3.22Å; A716-A719 PolarHBondContact O-N 2.71Å; I717-A719 PolarHBondContact O-N 2.93Å |
| 720 | L | 91.3 | Very high | 91.4 | Very high | 141 Ų | 141 | 61.1 Ų | 61.1 | 74% | 0.738 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -84.5 | -31.4 | -176.5 | -71.4 | 170.6 | 0 | 0 | 0 | 112.8 | A716 I717 P722 | A716-L720 HydrophobicContact CB-CD1 4.48Å; A716-L720 VanDerWaalsContact O-CB 3.23Å; A716-L720 WeakPolarHBondContact O-CB 3.14Å; A716-L720 WeakPolarHBondContact O-CG 3.43Å; A716-L720 PolarHBondContact O-N 2.91Å; I717-L720 PolarHBondContact O-N 3.47Å; L720-P722 VanDerWaalsContact O-CD 3.26Å; L720-P722 WeakPolarHBondContact O-CD 3.36Å |
| 721 | V | 90.1 | Very high | 91.2 | Very high | 46 Ų | 46 | 63.1 Ų | 63.1 | 28% | 0.279 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -81.1 | 111.7 | 178.9 | 177 | 0 | 0 | 0 | 0 | 108.8 | I717 H723 | I717-V721 HydrophobicContact CG2-CG2 3.93Å; I717-V721 WeakPolarHBondContact O-CB 3.36Å; I717-V721 VanDerWaalsContact O-CG2 3.3Å; I717-V721 WeakPolarHBondContact O-CG2 3.49Å; I717-V721 PolarHBondContact O-N 2.91Å; V721-H723 PolarHBondContact O-N 3.44Å |
| 722 | P | 89.5 | Confident | 90.9 | Very high | 76 Ų | 76 | 64.3 Ų | 64.3 | 49% | 0.494 | 38% | 0.381 | S | S | . | . | trans | -64.5 | 129.8 | 179.7 | 26.8 | -34 | 0 | 0 | 0 | 110.2 | R282 L720 T724 | R282-P722 WeakPolarHBondContact CG-O 3.38Å; L720-P722 VanDerWaalsContact O-CD 3.26Å; L720-P722 WeakPolarHBondContact O-CD 3.36Å; P722-T724 PolarHBondContact O-N 3.36Å | ||
| 723 | H | 87.6 | Confident | 90.7 | Very high | 92 Ų | 92 | 61.6 Ų | 61.6 | 43% | 0.426 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -64.8 | -28.8 | 176.9 | -60.7 | -32.9 | 0 | 0 | 0 | 112.2 | E278 R282 S285 V721 | E278-H723 IonicContact OE2-CE1 2.69Å; E278-H723 IonicContact OE2-ND1 2.84Å; R282-H723 WeakPolarHBondContact CA-O 3.13Å; S285-H723 WeakPolarHBondContact CB-O 3.42Å; V721-H723 PolarHBondContact O-N 3.44Å |
| 724 | T | 88.5 | Confident | 90.6 | Very high | 53 Ų | 53 | 63.6 Ų | 63.6 | 33% | 0.325 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -87.7 | 119.8 | 173.7 | 48.7 | 0 | 0 | 0 | 0 | 110.2 | W294 P722 | W294-T724 HydrophobicContact CZ2-CG2 4.2Å; P722-T724 PolarHBondContact O-N 3.36Å |
| 725 | P | 90.2 | Very high | 90.4 | Very high | 7 Ų | 7 | 64.1 Ų | 64.1 | 5% | 0.045 | 38% | 0.38 | C | S | . | . | trans | -71.2 | 145.2 | 177.9 | 27.8 | -32.3 | 0 | 0 | 0 | 111.4 | F286 S727 V728 V729 | F286-P725 HydrophobicContact CB-CG 4.16Å; P725-S727 PolarHBondContact O-N 3.2Å; P725-S727 VanDerWaalsContact O-N 3.13Å; P725-V728 HydrophobicContact CG-CB 4.11Å; P725-V728 HydrophobicContact CG-CG2 3.62Å; P725-V728 WeakPolarHBondContact O-CB 3.39Å; P725-V728 PolarHBondContact O-N 3.15Å; P725-V729 PolarHBondContact O-N 2.9Å | ||
| 726 | T | 91.5 | Very high | 90.2 | Very high | 106 Ų | 106 | 65.7 Ų | 65.7 | 65% | 0.65 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -56.3 | -31.8 | -180 | -42.1 | 0 | 0 | 0 | 0 | 113.2 | V728 V729 L730 | T726-V728 VanDerWaalsContact C-N 3.34Å; T726-V728 PolarHBondContact O-N 3.26Å; T726-V729 PolarHBondContact O-N 3.03Å; T726-L730 WeakPolarHBondContact O-CB 3.45Å; T726-L730 PolarHBondContact O-N 3.36Å |
| 727 | S | 89 | Confident | 90.1 | Very high | 61 Ų | 61 | 68.8 Ų | 68.8 | 43% | 0.427 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 175.4 | 52.7 | 0 | 0 | 0 | 0 | 112.4 | P725 Q731 | P725-S727 PolarHBondContact O-N 3.2Å; P725-S727 VanDerWaalsContact O-N 3.13Å; S727-Q731 WeakPolarHBondContact O-CB 3.38Å; S727-Q731 VanDerWaalsContact O-CG 3.28Å; S727-Q731 WeakPolarHBondContact O-CG 3.34Å; S727-Q731 PolarHBondContact O-N 3.32Å |
| 728 | V | 88.9 | Confident | 90 | Very high | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.006 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.3 | -45 | 177.6 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | F286 Y289 P725 T726 L730 Q731 I732 | F286-V728 HydrophobicContact CB-CG2 4.23Å; F286-V728 HydrophobicContact CD2-CG2 3.58Å; F286-V728 HydrophobicContact CE2-CG2 4.47Å; F286-V728 HydrophobicContact CG-CG2 4.39Å; Y289-V728 HydrophobicContact CD1-CG1 3.91Å; Y289-V728 HydrophobicContact CD1-CG2 4.24Å; Y289-V728 HydrophobicContact CD2-CG1 3.99Å; Y289-V728 HydrophobicContact CE1-CG1 4.46Å; Y289-V728 HydrophobicContact CG-CG1 3.64Å; P725-V728 HydrophobicContact CG-CB 4.11Å; P725-V728 HydrophobicContact CG-CG2 3.62Å; P725-V728 WeakPolarHBondContact O-CB 3.39Å; P725-V728 PolarHBondContact O-N 3.15Å; T726-V728 VanDerWaalsContact C-N 3.34Å; T726-V728 PolarHBondContact O-N 3.26Å; V728-L730 VanDerWaalsContact C-N 3.28Å; V728-L730 PolarHBondContact O-N 3.5Å; V728-Q731 WeakPolarHBondContact O-CB 3.4Å; V728-Q731 PolarHBondContact O-N 3.09Å; V728-Q731 VanDerWaalsContact O-N 3.09Å; V728-I732 HydrophobicContact CG1-CD1 3.74Å; V728-I732 HydrophobicContact CG1-CG1 4.32Å; V728-I732 VanDerWaalsContact O-CG1 3.32Å; V728-I732 WeakPolarHBondContact O-CG1 3.3Å; V728-I732 PolarHBondContact O-N 3.29Å |
| 729 | V | 91.8 | Very high | 89.7 | Confident | 77 Ų | 77 | 74.6 Ų | 74.6 | 47% | 0.467 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 176.6 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | P725 T726 I732 A733 | P725-V729 PolarHBondContact O-N 2.9Å; T726-V729 PolarHBondContact O-N 3.03Å; V729-I732 PolarHBondContact O-N 2.81Å; V729-A733 WeakPolarHBondContact O-CB 3.47Å; V729-A733 PolarHBondContact O-N 3.46Å |
| 730 | L | 93 | Very high | 89.6 | Confident | 93 Ų | 93 | 77.5 Ų | 77.5 | 49% | 0.487 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 176.3 | -176 | 65 | 0 | 0 | 0 | 112.1 | T726 V728 A733 K734 | T726-L730 WeakPolarHBondContact O-CB 3.45Å; T726-L730 PolarHBondContact O-N 3.36Å; V728-L730 VanDerWaalsContact C-N 3.28Å; V728-L730 PolarHBondContact O-N 3.5Å; L730-A733 PolarHBondContact O-N 3.04Å; L730-K734 HydrophobicContact CD1-CG 4.46Å; L730-K734 HydrophobicContact CG-CD 4.21Å; L730-K734 HydrophobicContact CG-CG 4.49Å; L730-K734 WeakPolarHBondContact O-CB 3.26Å; L730-K734 VanDerWaalsContact O-CG 3.26Å; L730-K734 WeakPolarHBondContact O-CG 3.25Å; L730-K734 PolarHBondContact O-N 3.34Å |
| 731 | Q | 88.9 | Confident | 89.6 | Confident | 89 Ų | 89 | 75.2 Ų | 75.2 | 42% | 0.416 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 175.9 | -79.8 | 178.4 | -10.3 | 0 | 0 | 111.8 | Y289 S727 V728 K734 L735 | Y289-Q731 HydrophobicContact CE1-CB 4.16Å; S727-Q731 WeakPolarHBondContact O-CB 3.38Å; S727-Q731 VanDerWaalsContact O-CG 3.28Å; S727-Q731 WeakPolarHBondContact O-CG 3.34Å; S727-Q731 PolarHBondContact O-N 3.32Å; V728-Q731 WeakPolarHBondContact O-CB 3.4Å; V728-Q731 PolarHBondContact O-N 3.09Å; V728-Q731 VanDerWaalsContact O-N 3.09Å; Q731-K734 PolarHBondContact O-N 2.86Å; Q731-L735 VanDerWaalsContact O-CB 3.23Å; Q731-L735 WeakPolarHBondContact O-CB 3.29Å; Q731-L735 PolarHBondContact O-N 2.9Å |
| 732 | I | 88.6 | Confident | 89.4 | Confident | 67 Ų | 67 | 73.5 Ų | 73.5 | 34% | 0.344 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 174.6 | -66.7 | 166.7 | 0 | 0 | 0 | 110 | Y289 V728 V729 K734 L735 E736 | Y289-I732 HydrophobicContact CD2-CD1 4.12Å; Y289-I732 HydrophobicContact CD2-CG1 4.09Å; Y289-I732 HydrophobicContact CE2-CD1 3.94Å; Y289-I732 HydrophobicContact CE2-CG1 3.41Å; Y289-I732 VanDerWaalsContact CE2-CG1 3.41Å; V728-I732 HydrophobicContact CG1-CD1 3.74Å; V728-I732 HydrophobicContact CG1-CG1 4.32Å; V728-I732 VanDerWaalsContact O-CG1 3.32Å; V728-I732 WeakPolarHBondContact O-CG1 3.3Å; V728-I732 PolarHBondContact O-N 3.29Å; V729-I732 PolarHBondContact O-N 2.81Å; I732-K734 PolarHBondContact O-N 3.44Å; I732-L735 WeakPolarHBondContact O-CB 3.45Å; I732-L735 PolarHBondContact O-N 2.84Å; I732-E736 WeakPolarHBondContact O-CB 3.31Å; I732-E736 PolarHBondContact O-N 3.27Å |
| 733 | A | 91.3 | Very high | 89.3 | Confident | 56 Ų | 56 | 74.5 Ų | 74.5 | 46% | 0.463 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V729 L730 L735 E736 H737 | V729-A733 WeakPolarHBondContact O-CB 3.47Å; V729-A733 PolarHBondContact O-N 3.46Å; L730-A733 PolarHBondContact O-N 3.04Å; A733-L735 VanDerWaalsContact C-N 3.31Å; A733-L735 PolarHBondContact O-N 2.89Å; A733-E736 PolarHBondContact O-N 3.3Å; A733-H737 WeakPolarHBondContact O-CB 3.41Å; A733-H737 PolarHBondContact O-N 3.28Å |
| 734 | K | 90.9 | Very high | 89.4 | Confident | 122 Ų | 122 | 75.8 Ų | 75.8 | 53% | 0.53 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 175 | -76.4 | 177.3 | 176.9 | -176 | 0 | 112.2 | L730 Q731 I732 R738 | L730-K734 HydrophobicContact CD1-CG 4.46Å; L730-K734 HydrophobicContact CG-CD 4.21Å; L730-K734 HydrophobicContact CG-CG 4.49Å; L730-K734 WeakPolarHBondContact O-CB 3.26Å; L730-K734 VanDerWaalsContact O-CG 3.26Å; L730-K734 WeakPolarHBondContact O-CG 3.25Å; L730-K734 PolarHBondContact O-N 3.34Å; Q731-K734 PolarHBondContact O-N 2.86Å; I732-K734 PolarHBondContact O-N 3.44Å; K734-R738 WeakPolarHBondContact O-CG 3.34Å; K734-R738 PolarHBondContact O-N 2.96Å; K734-R738 VanDerWaalsContact O-N 3.13Å |
| 735 | L | 87.6 | Confident | 89.4 | Confident | 16 Ų | 16 | 77.4 Ų | 77.4 | 8% | 0.084 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.9 | -47.6 | 177.7 | -178.2 | 65.3 | 0 | 0 | 0 | 111 | G115 Q731 I732 A733 H737 R738 R739 | G115-L735 VanDerWaalsContact O-CD1 3.3Å; G115-L735 WeakPolarHBondContact O-CD1 3.46Å; Q731-L735 VanDerWaalsContact O-CB 3.23Å; Q731-L735 WeakPolarHBondContact O-CB 3.29Å; Q731-L735 PolarHBondContact O-N 2.9Å; I732-L735 WeakPolarHBondContact O-CB 3.45Å; I732-L735 PolarHBondContact O-N 2.84Å; A733-L735 VanDerWaalsContact C-N 3.31Å; A733-L735 PolarHBondContact O-N 2.89Å; L735-H737 VanDerWaalsContact C-N 3.3Å; L735-H737 PolarHBondContact O-N 3.04Å; L735-R738 PolarHBondContact O-N 3.41Å; L735-R739 WeakPolarHBondContact O-CG 3.37Å; L735-R739 PolarHBondContact O-N 3.42Å |
| 736 | E | 88.4 | Confident | 89.2 | Confident | 75 Ų | 75 | 80.9 Ų | 80.9 | 35% | 0.35 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 177.3 | -179 | 57.5 | -158.6 | 0 | 0 | 111.9 | I732 A733 R739 R740 | I732-E736 WeakPolarHBondContact O-CB 3.31Å; I732-E736 PolarHBondContact O-N 3.27Å; A733-E736 PolarHBondContact O-N 3.3Å; E736-R739 PolarHBondContact O-N 3.31Å; E736-R740 WeakPolarHBondContact O-CG 3.26Å; E736-R740 PolarHBondContact O-N 3.24Å; E736-R740 VanDerWaalsContact O-N 3.14Å; E736-R740 IonicContact OE1-CZ 3.89Å; E736-R740 IonicContact OE1-NE 3.19Å; E736-R740 PolarHBondContact OE1-NE 2.88Å; E736-R740 IonicContact OE1-NH2 3.07Å; E736-R740 PolarHBondContact OE1-NH2 2.89Å |
| 737 | H | 90.9 | Very high | 89.2 | Confident | 105 Ų | 105 | 80.8 Ų | 80.8 | 49% | 0.486 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.3 | -49.5 | 174.4 | -178 | 58 | 0 | 0 | 0 | 112.3 | A733 L735 R739 R740 E741 | A733-H737 WeakPolarHBondContact O-CB 3.41Å; A733-H737 PolarHBondContact O-N 3.28Å; L735-H737 VanDerWaalsContact C-N 3.3Å; L735-H737 PolarHBondContact O-N 3.04Å; H737-R739 VanDerWaalsContact C-N 3.3Å; H737-R739 PolarHBondContact O-N 2.98Å; H737-R740 WeakPolarHBondContact O-CB 3.27Å; H737-R740 PolarHBondContact O-N 3.06Å; H737-R740 VanDerWaalsContact O-N 3.13Å; H737-E741 IonicContact CE1-OE1 2.76Å; H737-E741 PolarHBondContact CE1-OE1 3.37Å; H737-E741 IonicContact NE2-OE1 2.89Å; H737-E741 PolarHBondContact NE2-OE1 2.9Å; H737-E741 IonicContact NE2-OE2 3.16Å; H737-E741 PolarHBondContact O-N 3.47Å |
| 738 | R | 89.3 | Confident | 89.3 | Confident | 120 Ų | 120 | 85.6 Ų | 85.6 | 45% | 0.453 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 178.2 | -76.7 | -174 | -71.3 | 165 | -0.8 | 112.8 | K734 L735 E741 A742 | K734-R738 WeakPolarHBondContact O-CG 3.34Å; K734-R738 PolarHBondContact O-N 2.96Å; K734-R738 VanDerWaalsContact O-N 3.13Å; L735-R738 PolarHBondContact O-N 3.41Å; R738-E741 PolarHBondContact O-N 3.42Å; R738-A742 WeakPolarHBondContact O-CB 3.38Å; R738-A742 PolarHBondContact O-N 2.71Å |
| 739 | R | 85.3 | Confident | 89.3 | Confident | 78 Ų | 78 | 90 Ų | 90 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 174.6 | -74 | 175.2 | 175.3 | -179.6 | -3.8 | 112.2 | L117 L735 E736 H737 E741 A742 L743 | L117-R739 PolarHBondContact O-NH2 2.99Å; L735-R739 WeakPolarHBondContact O-CG 3.37Å; L735-R739 PolarHBondContact O-N 3.42Å; E736-R739 PolarHBondContact O-N 3.31Å; H737-R739 VanDerWaalsContact C-N 3.3Å; H737-R739 PolarHBondContact O-N 2.98Å; R739-E741 VanDerWaalsContact C-N 3.33Å; R739-E741 PolarHBondContact O-N 3.34Å; R739-A742 PolarHBondContact O-N 2.87Å; R739-L743 WeakPolarHBondContact O-CB 3.31Å; R739-L743 PolarHBondContact O-N 3.15Å |
| 740 | R | 89.2 | Confident | 89.2 | Confident | 147 Ų | 147 | 89.3 Ų | 89.3 | 56% | 0.555 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.3 | -35.6 | 177 | -68.2 | 174.3 | -172 | -161.7 | 0.3 | 112.4 | E736 H737 K744 | E736-R740 WeakPolarHBondContact O-CG 3.26Å; E736-R740 PolarHBondContact O-N 3.24Å; E736-R740 VanDerWaalsContact O-N 3.14Å; E736-R740 IonicContact OE1-CZ 3.89Å; E736-R740 IonicContact OE1-NE 3.19Å; E736-R740 PolarHBondContact OE1-NE 2.88Å; E736-R740 IonicContact OE1-NH2 3.07Å; E736-R740 PolarHBondContact OE1-NH2 2.89Å; H737-R740 WeakPolarHBondContact O-CB 3.27Å; H737-R740 PolarHBondContact O-N 3.06Å; H737-R740 VanDerWaalsContact O-N 3.13Å; R740-K744 VanDerWaalsContact O-CG 3.27Å; R740-K744 WeakPolarHBondContact O-CG 3.47Å; R740-K744 PolarHBondContact O-N 3.15Å; R740-K744 VanDerWaalsContact O-N 3.16Å |
| 741 | E | 90 | Very high | 89.1 | Confident | 92 Ų | 92 | 90.1 Ų | 90.1 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -68.6 | -46.1 | 175.3 | -69.6 | -172.9 | 144.2 | 0 | 0 | 111.9 | H737 R738 R739 L743 K744 I745 | H737-E741 IonicContact CE1-OE1 2.76Å; H737-E741 PolarHBondContact CE1-OE1 3.37Å; H737-E741 IonicContact NE2-OE1 2.89Å; H737-E741 PolarHBondContact NE2-OE1 2.9Å; H737-E741 IonicContact NE2-OE2 3.16Å; H737-E741 PolarHBondContact O-N 3.47Å; R738-E741 PolarHBondContact O-N 3.42Å; R739-E741 VanDerWaalsContact C-N 3.33Å; R739-E741 PolarHBondContact O-N 3.34Å; E741-L743 VanDerWaalsContact C-N 3.33Å; E741-L743 PolarHBondContact O-N 2.84Å; E741-K744 PolarHBondContact O-N 3.32Å; E741-I745 WeakPolarHBondContact O-CG1 3.31Å; E741-I745 PolarHBondContact O-N 3.44Å |
| 742 | A | 86 | Confident | 89.2 | Confident | 10 Ų | 10 | 93.2 Ų | 93.2 | 8% | 0.083 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R738 R739 K744 I745 L746 | R738-A742 WeakPolarHBondContact O-CB 3.38Å; R738-A742 PolarHBondContact O-N 2.71Å; R739-A742 PolarHBondContact O-N 2.87Å; A742-K744 VanDerWaalsContact C-N 3.34Å; A742-K744 PolarHBondContact O-N 3.46Å; A742-I745 WeakPolarHBondContact O-CB 3.32Å; A742-I745 PolarHBondContact O-N 3.24Å; A742-I745 VanDerWaalsContact O-N 3.1Å; A742-L746 WeakPolarHBondContact O-CG 3.36Å; A742-L746 PolarHBondContact O-N 3.05Å |
| 743 | L | 87.6 | Confident | 89.1 | Confident | 98 Ų | 98 | 95.5 Ų | 95.5 | 51% | 0.513 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 176.2 | -175.6 | 65.2 | 0 | 0 | 0 | 112.1 | R739 E741 I745 L746 E747 | R739-L743 WeakPolarHBondContact O-CB 3.31Å; R739-L743 PolarHBondContact O-N 3.15Å; E741-L743 VanDerWaalsContact C-N 3.33Å; E741-L743 PolarHBondContact O-N 2.84Å; L743-I745 VanDerWaalsContact C-N 3.27Å; L743-I745 PolarHBondContact O-N 3.07Å; L743-L746 PolarHBondContact O-N 3.31Å; L743-E747 WeakPolarHBondContact O-CB 3.49Å; L743-E747 WeakPolarHBondContact O-CG 3.42Å; L743-E747 PolarHBondContact O-N 3.44Å |
| 744 | K | 91 | Very high | 89 | Confident | 118 Ų | 118 | 97.2 Ų | 97.2 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.8 | -31.8 | 176.3 | -73.8 | 171.8 | -177.7 | -178.5 | 0 | 113 | R740 E741 A742 R748 | R740-K744 VanDerWaalsContact O-CG 3.27Å; R740-K744 WeakPolarHBondContact O-CG 3.47Å; R740-K744 PolarHBondContact O-N 3.15Å; R740-K744 VanDerWaalsContact O-N 3.16Å; E741-K744 PolarHBondContact O-N 3.32Å; A742-K744 VanDerWaalsContact C-N 3.34Å; A742-K744 PolarHBondContact O-N 3.46Å; K744-R748 WeakPolarHBondContact O-CD 3.4Å; K744-R748 WeakPolarHBondContact O-CG 3.47Å; K744-R748 PolarHBondContact O-N 3.1Å |
| 745 | I | 88.3 | Confident | 88.9 | Confident | 88 Ų | 88 | 97 Ų | 97 | 45% | 0.451 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -69.9 | -48.5 | 176 | -67.6 | 166.1 | 0 | 0 | 0 | 109.3 | E741 A742 L743 E747 R748 E749 | E741-I745 WeakPolarHBondContact O-CG1 3.31Å; E741-I745 PolarHBondContact O-N 3.44Å; A742-I745 WeakPolarHBondContact O-CB 3.32Å; A742-I745 PolarHBondContact O-N 3.24Å; A742-I745 VanDerWaalsContact O-N 3.1Å; L743-I745 VanDerWaalsContact C-N 3.27Å; L743-I745 PolarHBondContact O-N 3.07Å; I745-E747 VanDerWaalsContact C-N 3.32Å; I745-E747 PolarHBondContact O-N 3.05Å; I745-R748 WeakPolarHBondContact O-CB 3.45Å; I745-R748 PolarHBondContact O-N 3.43Å; I745-E749 WeakPolarHBondContact O-CG 3.39Å; I745-E749 PolarHBondContact O-N 3.44Å |
| 746 | L | 86.2 | Confident | 88.8 | Confident | 80 Ų | 80 | 105.3 Ų | 105.3 | 42% | 0.419 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.5 | -42.2 | 176.5 | -68.4 | 171.4 | 0 | 0 | 0 | 112.1 | A742 L743 R748 E749 S750 | A742-L746 WeakPolarHBondContact O-CG 3.36Å; A742-L746 PolarHBondContact O-N 3.05Å; L743-L746 PolarHBondContact O-N 3.31Å; L746-R748 VanDerWaalsContact C-N 3.32Å; L746-R748 PolarHBondContact O-N 2.87Å; L746-E749 PolarHBondContact O-N 2.95Å; L746-S750 PolarHBondContact O-N 2.85Å; L746-S750 PolarHBondContact O-OG 3.31Å |
| 747 | E | 90.1 | Very high | 88.6 | Confident | 103 Ų | 103 | 109.1 Ų | 109.1 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 174.1 | -75.4 | 173.9 | 178.8 | 0 | 0 | 112.5 | L743 I745 S750 M751 | L743-E747 WeakPolarHBondContact O-CB 3.49Å; L743-E747 WeakPolarHBondContact O-CG 3.42Å; L743-E747 PolarHBondContact O-N 3.44Å; I745-E747 VanDerWaalsContact C-N 3.32Å; I745-E747 PolarHBondContact O-N 3.05Å; E747-S750 PolarHBondContact O-OG 3.41Å; E747-M751 WeakPolarHBondContact O-CB 3.42Å; E747-M751 WeakPolarHBondContact O-CG 3.45Å; E747-M751 PolarHBondContact O-N 2.9Å; E747-M751 VanDerWaalsContact O-N 3.09Å |
| 748 | R | 91.8 | Very high | 88.2 | Confident | 163 Ų | 163 | 110.2 Ų | 110.2 | 62% | 0.615 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -71.4 | -36.7 | 176.9 | -73.6 | 167.2 | -178.7 | 178.2 | 0.5 | 111.9 | K744 I745 L746 R752 | K744-R748 WeakPolarHBondContact O-CD 3.4Å; K744-R748 WeakPolarHBondContact O-CG 3.47Å; K744-R748 PolarHBondContact O-N 3.1Å; I745-R748 WeakPolarHBondContact O-CB 3.45Å; I745-R748 PolarHBondContact O-N 3.43Å; L746-R748 VanDerWaalsContact C-N 3.32Å; L746-R748 PolarHBondContact O-N 2.87Å; R748-R752 VanDerWaalsContact O-CG 3.25Å; R748-R752 WeakPolarHBondContact O-CG 3.22Å; R748-R752 PolarHBondContact O-N 2.97Å |
| 749 | E | 88.5 | Confident | 87.5 | Confident | 94 Ų | 94 | 107.9 Ų | 107.9 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.1 | -47 | 177.7 | -73.3 | 175.6 | 174.1 | 0 | 0 | 111 | I745 L746 M751 R752 E753 | I745-E749 WeakPolarHBondContact O-CG 3.39Å; I745-E749 PolarHBondContact O-N 3.44Å; L746-E749 PolarHBondContact O-N 2.95Å; E749-M751 VanDerWaalsContact C-N 3.3Å; E749-M751 PolarHBondContact O-N 2.87Å; E749-R752 WeakPolarHBondContact O-CB 3.46Å; E749-R752 PolarHBondContact O-N 2.73Å; E749-E753 WeakPolarHBondContact O-CG 3.27Å; E749-E753 PolarHBondContact O-N 3.41Å |
| 750 | S | 89.4 | Confident | 86.5 | Confident | 61 Ų | 61 | 108.9 Ų | 108.9 | 43% | 0.427 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 175.3 | 67.8 | 0 | 0 | 0 | 0 | 112.2 | L746 E747 R752 E753 H754 | L746-S750 PolarHBondContact O-N 2.85Å; L746-S750 PolarHBondContact O-OG 3.31Å; E747-S750 PolarHBondContact O-OG 3.41Å; S750-R752 PolarHBondContact O-N 3.06Å; S750-E753 PolarHBondContact O-N 3.27Å; S750-H754 WeakPolarHBondContact O-CB 3.25Å; S750-H754 PolarHBondContact O-N 3.48Å |
| 751 | M | 92.3 | Very high | 85.3 | Confident | 111 Ų | 111 | 107.3 Ų | 107.3 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 173.4 | -75.2 | -66.9 | -63.2 | 0 | 0 | 112.7 | E747 E749 H754 Q755 | E747-M751 WeakPolarHBondContact O-CB 3.42Å; E747-M751 WeakPolarHBondContact O-CG 3.45Å; E747-M751 PolarHBondContact O-N 2.9Å; E747-M751 VanDerWaalsContact O-N 3.09Å; E749-M751 VanDerWaalsContact C-N 3.3Å; E749-M751 PolarHBondContact O-N 2.87Å; M751-H754 PolarHBondContact O-N 3.47Å; M751-Q755 WeakPolarHBondContact O-CB 3.47Å; M751-Q755 VanDerWaalsContact O-CG 3.31Å; M751-Q755 WeakPolarHBondContact O-CG 3.25Å; M751-Q755 PolarHBondContact O-N 2.96Å |
| 752 | R | 90.1 | Very high | 83.6 | Confident | 154 Ų | 154 | 110 Ų | 110 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68 | -40.5 | 176.5 | -76.3 | 169.5 | 176.4 | -179.1 | -0.5 | 112 | R748 E749 S750 H754 Q755 R756 | R748-R752 VanDerWaalsContact O-CG 3.25Å; R748-R752 WeakPolarHBondContact O-CG 3.22Å; R748-R752 PolarHBondContact O-N 2.97Å; E749-R752 WeakPolarHBondContact O-CB 3.46Å; E749-R752 PolarHBondContact O-N 2.73Å; S750-R752 PolarHBondContact O-N 3.06Å; R752-H754 VanDerWaalsContact C-N 3.35Å; R752-Q755 PolarHBondContact O-N 3.45Å; R752-R756 WeakPolarHBondContact O-CG 3.1Å; R752-R756 PolarHBondContact O-N 3.13Å |
| 753 | E | 87.4 | Confident | 81.7 | Confident | 114 Ų | 114 | 119.5 Ų | 119.5 | 53% | 0.533 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.3 | -43.8 | 174.2 | -72.5 | -179.4 | 171.4 | 0 | 0 | 111.1 | E749 S750 Q755 R756 Q757 | E749-E753 WeakPolarHBondContact O-CG 3.27Å; E749-E753 PolarHBondContact O-N 3.41Å; S750-E753 PolarHBondContact O-N 3.27Å; E753-Q755 VanDerWaalsContact C-N 3.33Å; E753-Q755 PolarHBondContact O-N 3.45Å; E753-R756 PolarHBondContact O-N 3.24Å; E753-Q757 WeakPolarHBondContact O-CG 3.35Å; E753-Q757 PolarHBondContact O-N 3.42Å |
| 754 | H | 88.6 | Confident | 81.4 | Confident | 93 Ų | 93 | 120.6 Ų | 120.6 | 43% | 0.431 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.4 | -42.2 | 175.3 | -163.6 | 58.8 | 0 | 0 | 0 | 111.9 | S750 M751 R752 R756 Q757 Q758 | S750-H754 WeakPolarHBondContact O-CB 3.25Å; S750-H754 PolarHBondContact O-N 3.48Å; M751-H754 PolarHBondContact O-N 3.47Å; R752-H754 VanDerWaalsContact C-N 3.35Å; H754-R756 PolarHBondContact O-N 3.19Å; H754-Q757 PolarHBondContact O-N 3.05Å; H754-Q758 PolarHBondContact CD2-NE2 3.1Å; H754-Q758 VanDerWaalsContact CD2-NE2 3.28Å; H754-Q758 PolarHBondContact NE2-NE2 3.06Å; H754-Q758 WeakPolarHBondContact O-CB 3.49Å; H754-Q758 WeakPolarHBondContact O-CG 3.45Å; H754-Q758 PolarHBondContact O-N 3.21Å |
| 755 | Q | 88.2 | Confident | 80.9 | Confident | 118 Ų | 118 | 120.7 Ų | 120.7 | 55% | 0.551 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.6 | -40.6 | 173.8 | -76.4 | 176.1 | -6.3 | 0 | 0 | 112.7 | M751 R752 E753 Q757 Q758 S759 | M751-Q755 WeakPolarHBondContact O-CB 3.47Å; M751-Q755 VanDerWaalsContact O-CG 3.31Å; M751-Q755 WeakPolarHBondContact O-CG 3.25Å; M751-Q755 PolarHBondContact O-N 2.96Å; R752-Q755 PolarHBondContact O-N 3.45Å; E753-Q755 VanDerWaalsContact C-N 3.33Å; E753-Q755 PolarHBondContact O-N 3.45Å; Q755-Q757 VanDerWaalsContact C-N 3.33Å; Q755-Q758 PolarHBondContact O-N 3.07Å; Q755-S759 PolarHBondContact O-N 3.28Å; Q755-S759 PolarHBondContact O-OG 3.49Å |
| 756 | R | 85.2 | Confident | 80.5 | Confident | 189 Ų | 189 | 122.6 Ų | 122.6 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.4 | -36.2 | 175.2 | -74.9 | 174.7 | -179.9 | 179.1 | 0.2 | 112.6 | R752 E753 H754 S759 | R752-R756 WeakPolarHBondContact O-CG 3.1Å; R752-R756 PolarHBondContact O-N 3.13Å; E753-R756 PolarHBondContact O-N 3.24Å; H754-R756 PolarHBondContact O-N 3.19Å; R756-S759 PolarHBondContact O-OG 3.43Å |
| 757 | Q | 85 | Confident | 80.2 | Confident | 156 Ų | 156 | 125.1 Ų | 125.1 | 73% | 0.729 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.7 | -34.3 | 175.1 | -70.8 | 174.3 | 3.5 | 0 | 0 | 112.2 | E753 H754 Q755 | E753-Q757 WeakPolarHBondContact O-CG 3.35Å; E753-Q757 PolarHBondContact O-N 3.42Å; H754-Q757 PolarHBondContact O-N 3.05Å; Q755-Q757 VanDerWaalsContact C-N 3.33Å |
| 758 | Q | 82.5 | Confident | 79.6 | Confident | 127 Ų | 127 | 126.4 Ų | 126.4 | 59% | 0.593 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -78.9 | -26.4 | 177.9 | -73.6 | -173.5 | 0.5 | 0 | 0 | 113.7 | H754 Q755 P760 | H754-Q758 PolarHBondContact CD2-NE2 3.1Å; H754-Q758 VanDerWaalsContact CD2-NE2 3.28Å; H754-Q758 PolarHBondContact NE2-NE2 3.06Å; H754-Q758 WeakPolarHBondContact O-CB 3.49Å; H754-Q758 WeakPolarHBondContact O-CG 3.45Å; H754-Q758 PolarHBondContact O-N 3.21Å; Q755-Q758 PolarHBondContact O-N 3.07Å; Q758-P760 WeakPolarHBondContact O-CD 3.31Å |
| 759 | S | 75.2 | Confident | 78.7 | Confident | 72 Ų | 72 | 124 Ų | 124 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -71.3 | 110.4 | 172.8 | 56.5 | 0 | 0 | 0 | 0 | 109.3 | Q755 R756 S761 | Q755-S759 PolarHBondContact O-N 3.28Å; Q755-S759 PolarHBondContact O-OG 3.49Å; R756-S759 PolarHBondContact O-OG 3.43Å; S759-S761 PolarHBondContact O-N 3.17Å |
| 760 | P | 64 | Low | 78.1 | Confident | 98 Ų | 98 | 126.1 Ų | 126.1 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | trans | -60.3 | 138.4 | 173.2 | 26 | -32.7 | 0 | 0 | 0 | 108.7 | Q758 N762 | Q758-P760 WeakPolarHBondContact O-CD 3.31Å; P760-N762 VanDerWaalsContact C-N 3.28Å; P760-N762 PolarHBondContact O-N 3.3Å | ||
| 761 | S | 62.9 | Low | 77.2 | Confident | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | trans | -57.8 | 90.8 | 171.4 | 52.6 | 0 | 0 | 0 | 0 | 109.7 | S759 V763 | S759-S761 PolarHBondContact O-N 3.17Å; S761-V763 VanDerWaalsContact C-N 3.32Å; S761-V763 PolarHBondContact O-N 2.81Å | ||
| 762 | N | 55.4 | Low | 75.9 | Confident | 148 Ų | 148 | 132.8 Ų | 132.8 | 79% | 0.791 | 68% | 0.678 | S | S | * | * | trans | -90.8 | 71.2 | 166.6 | -82.5 | -11.7 | 0 | 0 | 0 | 108.5 | P760 | P760-N762 VanDerWaalsContact C-N 3.28Å; P760-N762 PolarHBondContact O-N 3.3Å | ||
| 763 | V | 46.5 | Very low | 74.6 | Confident | 210 Ų | 210 | 130.9 Ų | 130.9 | 100% | 1.273 | 69% | 0.687 | S | S | * | * | trans | -145.4 | 0 | 147.2 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | S761 | S761-V763 VanDerWaalsContact C-N 3.32Å; S761-V763 PolarHBondContact O-N 2.81Å |
Retrieved 763 of 763 residues in 1074.3 ms
(Link to these results)