| 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 | 79.1 | Confident | 87.5 | Confident | 199 Ų | 199 | 114 Ų | 114 | 98% | 0.98 | 59% | 0.594 | S | S | * | * | 0 | -55.1 | 0 | -159.6 | 175 | -85.5 | 0 | 0 | 112.2 | R3 T4 V5 | M1-R3 PolarHBondContact O-N 3.09Å; M1-T4 WeakPolarHBondContact O-CB 3.38Å; M1-T4 PolarHBondContact O-N 2.93Å; M1-V5 PolarHBondContact O-N 3.15Å | |||
| 2 | V | 88.4 | Confident | 87.1 | Confident | 113 Ų | 113 | 115.2 Ų | 115.2 | 69% | 0.685 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -57.2 | -43.6 | 178.6 | 177.7 | 0 | 0 | 0 | 0 | 113.5 | T4 V5 L6 | V2-T4 VanDerWaalsContact C-N 3.35Å; V2-T4 PolarHBondContact O-N 3.26Å; V2-V5 PolarHBondContact O-N 3.43Å; V2-V5 VanDerWaalsContact O-N 3.17Å; V2-L6 HydrophobicContact CG1-CD1 4.28Å; V2-L6 WeakPolarHBondContact O-CG 3.48Å; V2-L6 PolarHBondContact O-N 3.37Å |
| 3 | R | 89.2 | Confident | 86.2 | Confident | 206 Ų | 206 | 114.8 Ų | 114.8 | 78% | 0.777 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58 | -44.6 | 176.5 | -68.8 | -175.4 | -176.5 | -111.1 | 2.4 | 112.6 | M1 V5 L6 D7 | M1-R3 PolarHBondContact O-N 3.09Å; R3-V5 VanDerWaalsContact C-N 3.29Å; R3-V5 PolarHBondContact O-N 3.47Å; R3-L6 CarbonylContact O-C 3.58Å; R3-L6 WeakPolarHBondContact O-CA 3.48Å; R3-L6 WeakPolarHBondContact O-CB 3.4Å; R3-L6 PolarHBondContact O-N 3.35Å; R3-D7 PolarHBondContact O-N 3.1Å; R3-D7 VanDerWaalsContact O-OD2 3.13Å |
| 4 | T | 90.2 | Very high | 85.5 | Confident | 83 Ų | 83 | 114.3 Ų | 114.3 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60 | -38.9 | 176.9 | -39 | 0 | 0 | 0 | 0 | 112.4 | M1 V2 D7 L8 | M1-T4 WeakPolarHBondContact O-CB 3.38Å; M1-T4 PolarHBondContact O-N 2.93Å; V2-T4 VanDerWaalsContact C-N 3.35Å; V2-T4 PolarHBondContact O-N 3.26Å; T4-D7 PolarHBondContact O-N 3.36Å; T4-L8 WeakPolarHBondContact O-CG 3.37Å; T4-L8 PolarHBondContact O-N 3.17Å |
| 5 | V | 89.6 | Confident | 84.7 | Confident | 76 Ų | 76 | 111.7 Ų | 111.7 | 46% | 0.461 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.2 | -40.5 | 175.4 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | M1 V2 R3 L8 M9 | M1-V5 PolarHBondContact O-N 3.15Å; V2-V5 PolarHBondContact O-N 3.43Å; V2-V5 VanDerWaalsContact O-N 3.17Å; R3-V5 VanDerWaalsContact C-N 3.29Å; R3-V5 PolarHBondContact O-N 3.47Å; V5-L8 PolarHBondContact O-N 3.49Å; V5-M9 WeakPolarHBondContact O-CB 3.33Å; V5-M9 VanDerWaalsContact O-CG 3.23Å; V5-M9 WeakPolarHBondContact O-CG 3.45Å; V5-M9 PolarHBondContact O-N 3.37Å |
| 6 | L | 92.4 | Very high | 83.2 | Confident | 93 Ų | 93 | 108.6 Ų | 108.6 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.9 | -41.5 | 174.6 | -65.3 | 171.2 | 0 | 0 | 0 | 111.6 | V2 R3 M9 Q10 | V2-L6 HydrophobicContact CG1-CD1 4.28Å; V2-L6 WeakPolarHBondContact O-CG 3.48Å; V2-L6 PolarHBondContact O-N 3.37Å; R3-L6 CarbonylContact O-C 3.58Å; R3-L6 WeakPolarHBondContact O-CA 3.48Å; R3-L6 WeakPolarHBondContact O-CB 3.4Å; R3-L6 PolarHBondContact O-N 3.35Å; L6-M9 WeakPolarHBondContact O-CB 3.44Å; L6-M9 PolarHBondContact O-N 3.08Å; L6-Q10 WeakPolarHBondContact O-CB 3.48Å; L6-Q10 VanDerWaalsContact O-CG 3.29Å; L6-Q10 WeakPolarHBondContact O-CG 3.2Å; L6-Q10 PolarHBondContact O-N 2.9Å |
| 7 | D | 91.8 | Very high | 82.1 | Confident | 96 Ų | 96 | 108.2 Ų | 108.2 | 51% | 0.513 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.3 | -39.5 | 177.4 | -60.8 | -33.9 | 0 | 0 | 0 | 111.5 | R3 T4 Q10 G11 | R3-D7 PolarHBondContact O-N 3.1Å; R3-D7 VanDerWaalsContact O-OD2 3.13Å; T4-D7 PolarHBondContact O-N 3.36Å; D7-Q10 PolarHBondContact O-N 3.38Å; D7-G11 PolarHBondContact O-N 2.9Å |
| 8 | L | 86.5 | Confident | 81.3 | Confident | 101 Ų | 101 | 110.8 Ų | 110.8 | 53% | 0.529 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.6 | -46.1 | 172.5 | -73 | 174.7 | 0 | 0 | 0 | 111.2 | T4 V5 Q10 G11 F12 | T4-L8 WeakPolarHBondContact O-CG 3.37Å; T4-L8 PolarHBondContact O-N 3.17Å; V5-L8 PolarHBondContact O-N 3.49Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 3.39Å; L8-G11 PolarHBondContact O-N 2.71Å; L8-G11 VanDerWaalsContact O-N 3.15Å; L8-F12 HydrophobicContact CB-CD2 4.45Å; L8-F12 HydrophobicContact CB-CE2 4.39Å; L8-F12 WeakPolarHBondContact O-CD2 3.35Å; L8-F12 PolarHBondContact O-N 3.02Å |
| 9 | M | 88 | Confident | 80.5 | Confident | 119 Ų | 119 | 114.3 Ų | 114.3 | 59% | 0.586 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58.1 | -43.2 | 176.1 | -73.2 | -74.5 | 144.9 | 0 | 0 | 111.4 | V5 L6 V13 | V5-M9 WeakPolarHBondContact O-CB 3.33Å; V5-M9 VanDerWaalsContact O-CG 3.23Å; V5-M9 WeakPolarHBondContact O-CG 3.45Å; V5-M9 PolarHBondContact O-N 3.37Å; L6-M9 WeakPolarHBondContact O-CB 3.44Å; L6-M9 PolarHBondContact O-N 3.08Å; M9-V13 VanDerWaalsContact O-CG2 3.27Å; M9-V13 WeakPolarHBondContact O-CG2 3.06Å; M9-V13 PolarHBondContact O-N 3.32Å |
| 10 | Q | 82.4 | Confident | 79.9 | Confident | 128 Ų | 128 | 112.4 Ų | 112.4 | 60% | 0.598 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.3 | -41.9 | 174.9 | -71 | 175 | 12.7 | 0 | 0 | 112 | L6 D7 L8 V13 N14 | L6-Q10 WeakPolarHBondContact O-CB 3.48Å; L6-Q10 VanDerWaalsContact O-CG 3.29Å; L6-Q10 WeakPolarHBondContact O-CG 3.2Å; L6-Q10 PolarHBondContact O-N 2.9Å; D7-Q10 PolarHBondContact O-N 3.38Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 3.39Å; Q10-V13 PolarHBondContact O-N 2.84Å; Q10-N14 WeakPolarHBondContact O-CB 3.33Å; Q10-N14 PolarHBondContact O-N 3.15Å |
| 11 | G | 84.6 | Confident | 79.6 | Confident | 40 Ų | 40 | 113.7 Ų | 113.7 | 41% | 0.412 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D7 L8 N14 T15 | D7-G11 PolarHBondContact O-N 2.9Å; L8-G11 PolarHBondContact O-N 2.71Å; L8-G11 VanDerWaalsContact O-N 3.15Å; G11-N14 PolarHBondContact O-N 3.4Å; G11-T15 WeakPolarHBondContact O-CB 3.5Å; G11-T15 PolarHBondContact O-N 3.42Å |
| 12 | F | 82.5 | Confident | 79.6 | Confident | 128 Ų | 128 | 112 Ų | 112 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64 | -40.7 | 174.6 | -79.5 | -67.6 | 0 | 0 | 0 | 112.3 | L8 S16 | L8-F12 HydrophobicContact CB-CD2 4.45Å; L8-F12 HydrophobicContact CB-CE2 4.39Å; L8-F12 WeakPolarHBondContact O-CD2 3.35Å; L8-F12 PolarHBondContact O-N 3.02Å; F12-S16 WeakPolarHBondContact O-CB 3.29Å; F12-S16 PolarHBondContact O-N 2.93Å; F12-S16 VanDerWaalsContact O-N 3.08Å; F12-S16 PolarHBondContact O-OG 3.4Å |
| 13 | V | 76.5 | Confident | 79.2 | Confident | 110 Ų | 110 | 111 Ų | 111 | 67% | 0.667 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.2 | -45.6 | 175.6 | 167.4 | 0 | 0 | 0 | 0 | 110.6 | M9 Q10 S16 D17 | M9-V13 VanDerWaalsContact O-CG2 3.27Å; M9-V13 WeakPolarHBondContact O-CG2 3.06Å; M9-V13 PolarHBondContact O-N 3.32Å; Q10-V13 PolarHBondContact O-N 2.84Å; V13-S16 PolarHBondContact O-N 2.82Å; V13-D17 PolarHBondContact O-N 2.87Å |
| 14 | N | 76 | Confident | 79 | Confident | 108 Ų | 108 | 104.2 Ų | 104.2 | 58% | 0.578 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.7 | -36.8 | -177.9 | -148.8 | 30.3 | 0 | 0 | 0 | 112.4 | Q10 G11 S16 | Q10-N14 WeakPolarHBondContact O-CB 3.33Å; Q10-N14 PolarHBondContact O-N 3.15Å; G11-N14 PolarHBondContact O-N 3.4Å; N14-S16 VanDerWaalsContact C-N 3.34Å |
| 15 | T | 72.7 | Confident | 78.5 | Confident | 76 Ų | 76 | 103.4 Ų | 103.4 | 47% | 0.466 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.8 | -32.3 | 176.6 | -145.4 | 0 | 0 | 0 | 0 | 112.3 | G11 D17 Q18 K19 | G11-T15 WeakPolarHBondContact O-CB 3.5Å; G11-T15 PolarHBondContact O-N 3.42Å; T15-D17 VanDerWaalsContact C-N 3.34Å; T15-D17 PolarHBondContact O-N 3.38Å; T15-Q18 PolarHBondContact O-N 2.85Å; T15-K19 WeakPolarHBondContact O-CB 3.38Å; T15-K19 PolarHBondContact O-N 3.33Å; T15-K19 VanDerWaalsContact O-N 3.09Å |
| 16 | S | 61.6 | Low | 78.3 | Confident | 62 Ų | 62 | 102 Ų | 102 | 43% | 0.434 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69 | -32.2 | 179.8 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | F12 V13 N14 H25 | F12-S16 WeakPolarHBondContact O-CB 3.29Å; F12-S16 PolarHBondContact O-N 2.93Å; F12-S16 VanDerWaalsContact O-N 3.08Å; F12-S16 PolarHBondContact O-OG 3.4Å; V13-S16 PolarHBondContact O-N 2.82Å; N14-S16 VanDerWaalsContact C-N 3.34Å; S16-H25 PolarHBondContact O-CE1 3.43Å; S16-H25 PolarHBondContact O-NE2 2.92Å; S16-H25 VanDerWaalsContact O-NE2 3.1Å |
| 17 | D | 64.9 | Low | 78 | Confident | 102 Ų | 102 | 103.4 Ų | 103.4 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.9 | -39.2 | 175.4 | -156.1 | -76.3 | 0 | 0 | 0 | 111.3 | V13 T15 | V13-D17 PolarHBondContact O-N 2.87Å; T15-D17 VanDerWaalsContact C-N 3.34Å; T15-D17 PolarHBondContact O-N 3.38Å |
| 18 | Q | 66.9 | Low | 77.8 | Confident | 155 Ų | 155 | 102.1 Ų | 102.1 | 72% | 0.724 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -77.7 | -35.6 | -176.8 | -66.2 | -171.4 | -4.1 | 0 | 0 | 114.3 | T15 I20 | T15-Q18 PolarHBondContact O-N 2.85Å; Q18-I20 PolarHBondContact O-N 3.04Å |
| 19 | K | 67.2 | Low | 77.8 | Confident | 177 Ų | 177 | 107.2 Ų | 107.2 | 77% | 0.77 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -78.7 | -16.2 | -170.4 | -172.1 | 163.3 | -177.4 | -71.5 | 0 | 114.4 | T15 | T15-K19 WeakPolarHBondContact O-CB 3.38Å; T15-K19 PolarHBondContact O-N 3.33Å; T15-K19 VanDerWaalsContact O-N 3.09Å |
| 20 | I | 67.9 | Low | 77.7 | Confident | 75 Ų | 75 | 110.5 Ų | 110.5 | 39% | 0.385 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -125.6 | 131.6 | -173.6 | -56.7 | -103.5 | 0 | 0 | 0 | 108.1 | Q18 K22 V24 H25 | Q18-I20 PolarHBondContact O-N 3.04Å; I20-K22 PolarHBondContact O-N 3.2Å; I20-V24 HydrophobicContact CG2-CB 4.33Å; I20-V24 HydrophobicContact CG2-CG1 4.3Å; I20-H25 WeakPolarHBondContact CB-CE1 3.49Å; I20-H25 WeakPolarHBondContact CB-NE2 3.46Å; I20-H25 VanDerWaalsContact CG2-CD2 3.48Å; I20-H25 WeakPolarHBondContact CG2-CD2 3.43Å; I20-H25 WeakPolarHBondContact CG2-CE1 3.48Å; I20-H25 WeakPolarHBondContact CG2-ND1 3.17Å; I20-H25 WeakPolarHBondContact CG2-NE2 3.3Å; I20-H25 PolarHBondContact O-CD2 2.87Å; I20-H25 PolarHBondContact O-NE2 2.92Å |
| 21 | E | 74.1 | Confident | 78 | Confident | 140 Ų | 140 | 107.6 Ų | 107.6 | 65% | 0.654 | 54% | 0.543 | S | S | * | . | trans | -57.8 | 130.6 | -178.9 | -63.9 | -179.8 | 170.4 | 0 | 0 | 111.5 | P23 V24 H25 | E21-P23 VanDerWaalsContact C-N 3.31Å; E21-P23 HydrophobicContact CB-CG 4.2Å; E21-P23 VanDerWaalsContact O-N 3.15Å; E21-V24 HydrophobicContact CB-CB 4.46Å; E21-V24 HydrophobicContact CB-CG2 4.1Å; E21-V24 WeakPolarHBondContact O-CB 3.27Å; E21-V24 PolarHBondContact O-N 3.17Å; E21-H25 PolarHBondContact O-N 3.41Å; E21-H25 VanDerWaalsContact O-N 3.15Å | ||
| 22 | K | 78 | Confident | 78.3 | Confident | 165 Ų | 165 | 112.4 Ų | 112.4 | 72% | 0.717 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -43.6 | -44.5 | 177.6 | -61.7 | -175.9 | 179.7 | -179.3 | 0 | 114.7 | I20 A26 | I20-K22 PolarHBondContact O-N 3.2Å; K22-A26 PolarHBondContact O-N 3.47Å |
| 23 | P | 81.2 | Confident | 78.7 | Confident | 91 Ų | 91 | 108 Ų | 108 | 59% | 0.591 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66 | -37.2 | 177.3 | 24.2 | -35.2 | 0 | 0 | 0 | 113.8 | E21 A26 H27 | E21-P23 VanDerWaalsContact C-N 3.31Å; E21-P23 HydrophobicContact CB-CG 4.2Å; E21-P23 VanDerWaalsContact O-N 3.15Å; P23-A26 PolarHBondContact O-N 3.27Å; P23-H27 PolarHBondContact O-N 3.2Å; P23-H27 VanDerWaalsContact O-N 3.14Å |
| 24 | V | 83.2 | Confident | 79.2 | Confident | 63 Ų | 63 | 104.6 Ų | 104.6 | 38% | 0.382 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.3 | -45.5 | -178.9 | 177 | 0 | 0 | 0 | 0 | 110.1 | I20 E21 A26 H27 L28 | I20-V24 HydrophobicContact CG2-CB 4.33Å; I20-V24 HydrophobicContact CG2-CG1 4.3Å; E21-V24 HydrophobicContact CB-CB 4.46Å; E21-V24 HydrophobicContact CB-CG2 4.1Å; E21-V24 WeakPolarHBondContact O-CB 3.27Å; E21-V24 PolarHBondContact O-N 3.17Å; V24-A26 VanDerWaalsContact C-N 3.3Å; V24-A26 PolarHBondContact O-N 3.17Å; V24-H27 PolarHBondContact O-N 3.03Å; V24-H27 VanDerWaalsContact O-N 3.17Å; V24-L28 HydrophobicContact CG1-CD1 3.44Å; V24-L28 VanDerWaalsContact CG1-CD1 3.44Å; V24-L28 WeakPolarHBondContact O-CD1 3.31Å; V24-L28 PolarHBondContact O-N 3.14Å |
| 25 | H | 80.8 | Confident | 79.9 | Confident | 66 Ų | 66 | 103.7 Ų | 103.7 | 31% | 0.306 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -54 | -44.7 | 172.5 | -81.8 | -56.2 | 0 | 0 | 0 | 113.2 | S16 I20 E21 H27 L28 R29 | S16-H25 PolarHBondContact O-CE1 3.43Å; S16-H25 PolarHBondContact O-NE2 2.92Å; S16-H25 VanDerWaalsContact O-NE2 3.1Å; I20-H25 WeakPolarHBondContact CB-CE1 3.49Å; I20-H25 WeakPolarHBondContact CB-NE2 3.46Å; I20-H25 VanDerWaalsContact CG2-CD2 3.48Å; I20-H25 WeakPolarHBondContact CG2-CD2 3.43Å; I20-H25 WeakPolarHBondContact CG2-CE1 3.48Å; I20-H25 WeakPolarHBondContact CG2-ND1 3.17Å; I20-H25 WeakPolarHBondContact CG2-NE2 3.3Å; I20-H25 PolarHBondContact O-CD2 2.87Å; I20-H25 PolarHBondContact O-NE2 2.92Å; E21-H25 PolarHBondContact O-N 3.41Å; E21-H25 VanDerWaalsContact O-N 3.15Å; H25-H27 VanDerWaalsContact C-N 3.33Å; H25-H27 PolarHBondContact O-N 3.37Å; H25-L28 PolarHBondContact O-N 3.34Å; H25-R29 VanDerWaalsContact O-CB 3.3Å; H25-R29 WeakPolarHBondContact O-CB 3.23Å; H25-R29 PolarHBondContact O-N 3.33Å |
| 26 | A | 85.3 | Confident | 80.9 | Confident | 46 Ų | 46 | 103.3 Ų | 103.3 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K22 P23 V24 R30 | K22-A26 PolarHBondContact O-N 3.47Å; P23-A26 PolarHBondContact O-N 3.27Å; V24-A26 VanDerWaalsContact C-N 3.3Å; V24-A26 PolarHBondContact O-N 3.17Å; A26-R30 WeakPolarHBondContact O-CG 3.37Å; A26-R30 PolarHBondContact O-N 3.19Å |
| 27 | H | 86.8 | Confident | 82.4 | Confident | 123 Ų | 123 | 101.9 Ų | 101.9 | 57% | 0.569 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.6 | -49.2 | 174.8 | -178.8 | 71 | 0 | 0 | 0 | 111.9 | P23 V24 H25 R29 R30 V31 | P23-H27 PolarHBondContact O-N 3.2Å; P23-H27 VanDerWaalsContact O-N 3.14Å; V24-H27 PolarHBondContact O-N 3.03Å; V24-H27 VanDerWaalsContact O-N 3.17Å; H25-H27 VanDerWaalsContact C-N 3.33Å; H25-H27 PolarHBondContact O-N 3.37Å; H27-R29 VanDerWaalsContact C-N 3.33Å; H27-R29 PolarHBondContact O-N 3.11Å; H27-R30 PolarHBondContact O-N 3.37Å; H27-V31 PolarHBondContact O-N 2.77Å; H27-V31 VanDerWaalsContact O-N 3.11Å |
| 28 | L | 86.5 | Confident | 83.6 | Confident | 70 Ų | 70 | 97.8 Ų | 97.8 | 37% | 0.366 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.3 | -47.7 | 176.6 | -91.9 | 96.9 | 0 | 0 | 0 | 111.1 | V24 H25 R30 V31 Y32 | V24-L28 HydrophobicContact CG1-CD1 3.44Å; V24-L28 VanDerWaalsContact CG1-CD1 3.44Å; V24-L28 WeakPolarHBondContact O-CD1 3.31Å; V24-L28 PolarHBondContact O-N 3.14Å; H25-L28 PolarHBondContact O-N 3.34Å; L28-R30 PolarHBondContact O-N 3.38Å; L28-V31 PolarHBondContact O-N 2.96Å; L28-Y32 HydrophobicContact CB-CD2 3.91Å; L28-Y32 HydrophobicContact CB-CE2 4.24Å; L28-Y32 HydrophobicContact CD2-CD2 3.86Å; L28-Y32 HydrophobicContact CD2-CE2 3.38Å; L28-Y32 HydrophobicContact CG-CD2 3.97Å; L28-Y32 HydrophobicContact CG-CE2 3.78Å; L28-Y32 VanDerWaalsContact O-CB 3.31Å; L28-Y32 WeakPolarHBondContact O-CB 3.45Å; L28-Y32 VanDerWaalsContact O-CD2 3.31Å; L28-Y32 WeakPolarHBondContact O-CD2 3.28Å; L28-Y32 PolarHBondContact O-N 3.18Å |
| 29 | R | 87.1 | Confident | 84.8 | Confident | 208 Ų | 208 | 96.2 Ų | 96.2 | 79% | 0.785 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -57.3 | -38 | -178.9 | -174.7 | 174 | -179.9 | 174.7 | 0.7 | 112.5 | H25 H27 G33 | H25-R29 VanDerWaalsContact O-CB 3.3Å; H25-R29 WeakPolarHBondContact O-CB 3.23Å; H25-R29 PolarHBondContact O-N 3.33Å; H27-R29 VanDerWaalsContact C-N 3.33Å; H27-R29 PolarHBondContact O-N 3.11Å; R29-G33 WeakPolarHBondContact O-CA 3.31Å; R29-G33 PolarHBondContact O-N 3.22Å |
| 30 | R | 85.5 | Confident | 86.1 | Confident | 187 Ų | 187 | 92.8 Ų | 92.8 | 71% | 0.706 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.1 | -48.1 | 177.1 | -69 | 174.4 | -173.8 | 175.7 | 3.6 | 111.6 | A26 H27 L28 S34 | A26-R30 WeakPolarHBondContact O-CG 3.37Å; A26-R30 PolarHBondContact O-N 3.19Å; H27-R30 PolarHBondContact O-N 3.37Å; L28-R30 PolarHBondContact O-N 3.38Å; R30-S34 PolarHBondContact O-N 3.05Å |
| 31 | V | 88.2 | Confident | 87.2 | Confident | 67 Ų | 67 | 89.9 Ų | 89.9 | 41% | 0.406 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69.5 | -50.6 | -178 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | H27 L28 G33 S34 L35 | H27-V31 PolarHBondContact O-N 2.77Å; H27-V31 VanDerWaalsContact O-N 3.11Å; L28-V31 PolarHBondContact O-N 2.96Å; V31-G33 VanDerWaalsContact C-N 3.3Å; V31-G33 PolarHBondContact O-N 3.25Å; V31-S34 PolarHBondContact O-N 2.99Å; V31-S34 VanDerWaalsContact O-N 3.15Å; V31-S34 PolarHBondContact O-OG 3.17Å; V31-L35 WeakPolarHBondContact O-CB 3.41Å; V31-L35 PolarHBondContact O-N 3.41Å |
| 32 | Y | 91.2 | Very high | 87.9 | Confident | 142 Ų | 142 | 84.3 Ų | 84.3 | 56% | 0.557 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.5 | -32.2 | 177.1 | -79.3 | -81 | 0 | 0 | 0 | 112.7 | L28 L35 S36 | L28-Y32 HydrophobicContact CB-CD2 3.91Å; L28-Y32 HydrophobicContact CB-CE2 4.24Å; L28-Y32 HydrophobicContact CD2-CD2 3.86Å; L28-Y32 HydrophobicContact CD2-CE2 3.38Å; L28-Y32 HydrophobicContact CG-CD2 3.97Å; L28-Y32 HydrophobicContact CG-CE2 3.78Å; L28-Y32 VanDerWaalsContact O-CB 3.31Å; L28-Y32 WeakPolarHBondContact O-CB 3.45Å; L28-Y32 VanDerWaalsContact O-CD2 3.31Å; L28-Y32 WeakPolarHBondContact O-CD2 3.28Å; L28-Y32 PolarHBondContact O-N 3.18Å; Y32-L35 HydrophobicContact CD1-CD2 4.38Å; Y32-L35 PolarHBondContact O-N 3.13Å; Y32-S36 VanDerWaalsContact O-CB 3.28Å; Y32-S36 WeakPolarHBondContact O-CB 3.42Å; Y32-S36 PolarHBondContact O-N 3.15Å; Y32-S36 PolarHBondContact O-OG 2.8Å |
| 33 | G | 91.3 | Very high | 88.4 | Confident | 34 Ų | 34 | 79.2 Ų | 79.2 | 35% | 0.351 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | R29 V31 S36 A37 | R29-G33 WeakPolarHBondContact O-CA 3.31Å; R29-G33 PolarHBondContact O-N 3.22Å; V31-G33 VanDerWaalsContact C-N 3.3Å; V31-G33 PolarHBondContact O-N 3.25Å; G33-S36 PolarHBondContact O-OG 3.12Å; G33-S36 VanDerWaalsContact O-OG 3.12Å; G33-A37 WeakPolarHBondContact O-CB 3.45Å; G33-A37 PolarHBondContact O-N 2.84Å; G33-A37 VanDerWaalsContact O-N 3.12Å |
| 34 | S | 87.7 | Confident | 88.7 | Confident | 39 Ų | 39 | 77.4 Ų | 77.4 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | 176.8 | 76.3 | 0 | 0 | 0 | 0 | 112.7 | R30 V31 S38 | R30-S34 PolarHBondContact O-N 3.05Å; V31-S34 PolarHBondContact O-N 2.99Å; V31-S34 VanDerWaalsContact O-N 3.15Å; V31-S34 PolarHBondContact O-OG 3.17Å; S34-S38 WeakPolarHBondContact O-CB 3.4Å; S34-S38 PolarHBondContact O-N 2.98Å |
| 35 | L | 89.7 | Confident | 88.8 | Confident | 90 Ų | 90 | 75 Ų | 75 | 47% | 0.471 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.5 | -48.7 | 180 | -178.6 | 63.7 | 0 | 0 | 0 | 111.5 | V31 Y32 A37 S38 M39 | V31-L35 WeakPolarHBondContact O-CB 3.41Å; V31-L35 PolarHBondContact O-N 3.41Å; Y32-L35 HydrophobicContact CD1-CD2 4.38Å; Y32-L35 PolarHBondContact O-N 3.13Å; L35-A37 PolarHBondContact O-N 2.8Å; L35-S38 PolarHBondContact O-N 2.72Å; L35-S38 PolarHBondContact O-OG 3.15Å; L35-M39 PolarHBondContact O-N 3.06Å |
| 36 | S | 94.9 | Very high | 88.7 | Confident | 68 Ų | 68 | 73 Ų | 73 | 48% | 0.476 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | -179.9 | 58 | 0 | 0 | 0 | 0 | 111.7 | Y32 G33 M39 V40 | Y32-S36 VanDerWaalsContact O-CB 3.28Å; Y32-S36 WeakPolarHBondContact O-CB 3.42Å; Y32-S36 PolarHBondContact O-N 3.15Å; Y32-S36 PolarHBondContact O-OG 2.8Å; G33-S36 PolarHBondContact O-OG 3.12Å; G33-S36 VanDerWaalsContact O-OG 3.12Å; S36-M39 WeakPolarHBondContact O-CB 3.38Å; S36-M39 PolarHBondContact O-N 2.84Å; S36-V40 WeakPolarHBondContact O-CG2 3.45Å; S36-V40 PolarHBondContact O-N 3.4Å |
| 37 | A | 92.4 | Very high | 88.4 | Confident | 32 Ų | 32 | 78.6 Ų | 78.6 | 26% | 0.264 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65 | -39 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G33 L35 M39 V40 A41 F86 | G33-A37 WeakPolarHBondContact O-CB 3.45Å; G33-A37 PolarHBondContact O-N 2.84Å; G33-A37 VanDerWaalsContact O-N 3.12Å; L35-A37 PolarHBondContact O-N 2.8Å; A37-M39 VanDerWaalsContact C-N 3.29Å; A37-M39 PolarHBondContact O-N 2.99Å; A37-V40 PolarHBondContact O-N 2.89Å; A37-A41 WeakPolarHBondContact O-CB 3.48Å; A37-A41 PolarHBondContact O-N 3.1Å; A37-F86 HydrophobicContact CB-CE2 4.23Å; A37-F86 HydrophobicContact CB-CZ 3.54Å |
| 38 | S | 90.1 | Very high | 87.7 | Confident | 15 Ų | 15 | 76.9 Ų | 76.9 | 11% | 0.105 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.1 | -34.6 | 173.1 | 80.3 | 0 | 0 | 0 | 0 | 112.2 | S34 L35 A41 A42 | S34-S38 WeakPolarHBondContact O-CB 3.4Å; S34-S38 PolarHBondContact O-N 2.98Å; L35-S38 PolarHBondContact O-N 2.72Å; L35-S38 PolarHBondContact O-OG 3.15Å; S38-A41 PolarHBondContact O-N 3.48Å; S38-A42 VanDerWaalsContact O-CB 3.28Å; S38-A42 WeakPolarHBondContact O-CB 3.38Å; S38-A42 PolarHBondContact O-N 3.49Å |
| 39 | M | 92.3 | Very high | 86.5 | Confident | 122 Ų | 122 | 81.2 Ų | 81.2 | 60% | 0.601 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -67.2 | -43.3 | 175.2 | -167.9 | 64.9 | 69.1 | 0 | 0 | 111.6 | L35 S36 A37 A41 A42 A43 | L35-M39 PolarHBondContact O-N 3.06Å; S36-M39 WeakPolarHBondContact O-CB 3.38Å; S36-M39 PolarHBondContact O-N 2.84Å; A37-M39 VanDerWaalsContact C-N 3.29Å; A37-M39 PolarHBondContact O-N 2.99Å; M39-A41 VanDerWaalsContact C-N 3.33Å; M39-A42 PolarHBondContact O-N 3.39Å; M39-A43 WeakPolarHBondContact O-CB 3.5Å; M39-A43 PolarHBondContact O-N 3.38Å |
| 40 | V | 93.6 | Very high | 85 | Confident | 105 Ų | 105 | 75 Ų | 75 | 64% | 0.636 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 174.5 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | S36 A37 A43 A44 | S36-V40 WeakPolarHBondContact O-CG2 3.45Å; S36-V40 PolarHBondContact O-N 3.4Å; A37-V40 PolarHBondContact O-N 2.89Å; V40-A43 PolarHBondContact O-N 3.35Å; V40-A44 WeakPolarHBondContact O-CB 3.33Å; V40-A44 PolarHBondContact O-N 2.85Å |
| 41 | A | 90.7 | Very high | 83.3 | Confident | 15 Ų | 15 | 71.7 Ų | 71.7 | 12% | 0.124 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A37 S38 M39 A44 G45 M90 | A37-A41 WeakPolarHBondContact O-CB 3.48Å; A37-A41 PolarHBondContact O-N 3.1Å; S38-A41 PolarHBondContact O-N 3.48Å; M39-A41 VanDerWaalsContact C-N 3.33Å; A41-A44 PolarHBondContact O-N 2.69Å; A41-G45 PolarHBondContact O-N 2.91Å; A41-M90 HydrophobicContact CB-CG 3.24Å; A41-M90 HydrophobicContact CB-SD 4.1Å |
| 42 | A | 89.3 | Confident | 81.6 | Confident | 22 Ų | 22 | 69.9 Ų | 69.9 | 18% | 0.182 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S38 M39 G45 A46 A93 | S38-A42 VanDerWaalsContact O-CB 3.28Å; S38-A42 WeakPolarHBondContact O-CB 3.38Å; S38-A42 PolarHBondContact O-N 3.49Å; M39-A42 PolarHBondContact O-N 3.39Å; A42-G45 PolarHBondContact O-N 3.32Å; A42-A46 WeakPolarHBondContact O-CB 3.45Å; A42-A46 PolarHBondContact O-N 2.85Å; A42-A93 WeakPolarHBondContact CA-O 3.45Å; A42-A93 HydrophobicContact CB-CB 4.49Å; A42-A93 WeakPolarHBondContact CB-O 3.33Å |
| 43 | A | 89 | Confident | 79.8 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 49% | 0.488 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M39 V40 A46 F47 | M39-A43 WeakPolarHBondContact O-CB 3.5Å; M39-A43 PolarHBondContact O-N 3.38Å; V40-A43 PolarHBondContact O-N 3.35Å; A43-A46 PolarHBondContact O-N 3.2Å; A43-F47 WeakPolarHBondContact O-CB 3.42Å; A43-F47 PolarHBondContact O-N 3.48Å |
| 44 | A | 88.2 | Confident | 77.8 | Confident | 52 Ų | 52 | 75.2 Ų | 75.2 | 43% | 0.43 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V40 A41 A46 F47 V48 | V40-A44 WeakPolarHBondContact O-CB 3.33Å; V40-A44 PolarHBondContact O-N 2.85Å; A41-A44 PolarHBondContact O-N 2.69Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 2.91Å; A44-F47 PolarHBondContact O-N 3.12Å; A44-F47 VanDerWaalsContact O-N 3.15Å; A44-V48 VanDerWaalsContact O-CG2 3.29Å; A44-V48 WeakPolarHBondContact O-CG2 3.47Å; A44-V48 PolarHBondContact O-N 3.42Å |
| 45 | G | 84.3 | Confident | 76.1 | Confident | 12 Ų | 12 | 78.1 Ų | 78.1 | 12% | 0.124 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.1 | -36.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A41 A42 | A41-G45 PolarHBondContact O-N 2.91Å; A42-G45 PolarHBondContact O-N 3.32Å |
| 46 | A | 79.4 | Confident | 74.3 | Confident | 25 Ų | 25 | 83 Ų | 83 | 21% | 0.207 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -73.5 | -35.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A42 A43 A44 | A42-A46 WeakPolarHBondContact O-CB 3.45Å; A42-A46 PolarHBondContact O-N 2.85Å; A43-A46 PolarHBondContact O-N 3.2Å; A44-A46 VanDerWaalsContact C-N 3.34Å; A44-A46 PolarHBondContact O-N 2.91Å |
| 47 | F | 78.3 | Confident | 72.4 | Confident | 163 Ų | 163 | 80.5 Ų | 80.5 | 72% | 0.715 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -76.4 | -30.7 | -179.8 | -170.8 | -93.5 | 0 | 0 | 0 | 113.1 | A43 A44 R49 | A43-F47 WeakPolarHBondContact O-CB 3.42Å; A43-F47 PolarHBondContact O-N 3.48Å; A44-F47 PolarHBondContact O-N 3.12Å; A44-F47 VanDerWaalsContact O-N 3.15Å; F47-R49 PolarHBondContact O-N 2.95Å |
| 48 | V | 72.5 | Confident | 71.3 | Confident | 87 Ų | 87 | 83.6 Ų | 83.6 | 53% | 0.527 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -66.2 | 74.4 | 162.9 | -174.7 | 0 | 0 | 0 | 0 | 106.2 | A44 V50 | A44-V48 VanDerWaalsContact O-CG2 3.29Å; A44-V48 WeakPolarHBondContact O-CG2 3.47Å; A44-V48 PolarHBondContact O-N 3.42Å; V48-V50 HydrophobicContact CG1-CG2 3.61Å; V48-V50 PolarHBondContact O-N 3.2Å |
| 49 | R | 61 | Low | 70.5 | Confident | 161 Ų | 161 | 88.8 Ų | 88.8 | 61% | 0.608 | 49% | 0.487 | S | S | * | . | trans | -70.8 | 67.3 | 172.8 | -156.9 | -165.6 | -48.7 | 174.3 | 5.1 | 104.6 | F47 P51 | F47-R49 PolarHBondContact O-N 2.95Å; R49-P51 VanDerWaalsContact O-CD 3.23Å; R49-P51 WeakPolarHBondContact O-CD 3.21Å; R49-P51 VanDerWaalsContact O-N 3.08Å | ||
| 50 | V | 56.3 | Low | 69.6 | Low | 78 Ų | 78 | 90.8 Ų | 90.8 | 47% | 0.473 | 49% | 0.488 | S | S | . | . | trans | -54.2 | 124.8 | 173.1 | -171.6 | 0 | 0 | 0 | 0 | 103.4 | V48 A52 L98 | V48-V50 HydrophobicContact CG1-CG2 3.61Å; V48-V50 PolarHBondContact O-N 3.2Å; V50-A52 HydrophobicContact CB-CB 3.9Å; V50-A52 HydrophobicContact CG1-CB 3.49Å; V50-A52 VanDerWaalsContact CG1-CB 3.49Å; V50-A52 PolarHBondContact O-N 3.3Å; V50-L98 HydrophobicContact CG2-CD1 4.2Å | ||
| 51 | P | 49.8 | Very low | 68.7 | Low | 118 Ų | 118 | 86.2 Ų | 86.2 | 77% | 0.766 | 46% | 0.46 | S | S | * | . | trans | -68.5 | 41.4 | 167.5 | 30.3 | -34.1 | 0 | 0 | 0 | 109.9 | R49 N53 | R49-P51 VanDerWaalsContact O-CD 3.23Å; R49-P51 WeakPolarHBondContact O-CD 3.21Å; R49-P51 VanDerWaalsContact O-N 3.08Å; P51-N53 PolarHBondContact O-N 3.48Å | ||
| 52 | A | 51.9 | Low | 68.2 | Low | 28 Ų | 28 | 90.3 Ų | 90.3 | 23% | 0.231 | 48% | 0.48 | C | S | . | . | trans | -76.9 | 67.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108 | V50 I54 W55 | V50-A52 HydrophobicContact CB-CB 3.9Å; V50-A52 HydrophobicContact CG1-CB 3.49Å; V50-A52 VanDerWaalsContact CG1-CB 3.49Å; V50-A52 PolarHBondContact O-N 3.3Å; A52-I54 HydrophobicContact CB-CB 4.28Å; A52-I54 PolarHBondContact O-N 2.91Å; A52-W55 HydrophobicContact CB-CB 4.26Å; A52-W55 HydrophobicContact CB-CG 4.48Å; A52-W55 PolarHBondContact O-N 2.91Å | ||
| 53 | N | 52.4 | Low | 67.9 | Low | 143 Ų | 143 | 94.1 Ų | 94.1 | 77% | 0.765 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | -13.8 | 140.7 | -80.9 | -38.2 | 0 | 0 | 0 | 111.7 | P51 | P51-N53 PolarHBondContact O-N 3.48Š|
| 54 | I | 49.5 | Very low | 67.6 | Low | 146 Ų | 146 | 94.9 Ų | 94.9 | 75% | 0.749 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -30.1 | 173.9 | -48.8 | 173.7 | 0 | 0 | 0 | 112.1 | A52 K56 | A52-I54 HydrophobicContact CB-CB 4.28Å; A52-I54 PolarHBondContact O-N 2.91Å; I54-K56 VanDerWaalsContact C-N 3.25Å; I54-K56 PolarHBondContact O-N 3.33Å |
| 55 | W | 51.7 | Low | 67.3 | Low | 100 Ų | 100 | 93.7 Ų | 93.7 | 38% | 0.379 | 48% | 0.481 | S | S | . | . | trans | -94.2 | 50 | 176.4 | -79.5 | 55.8 | 0 | 0 | 0 | 111.1 | A52 G57 W60 S61 L64 L95 | A52-W55 HydrophobicContact CB-CB 4.26Å; A52-W55 HydrophobicContact CB-CG 4.48Å; A52-W55 PolarHBondContact O-N 2.91Å; W55-G57 PolarHBondContact O-N 3.24Å; W55-G57 VanDerWaalsContact O-N 3.09Å; W55-W60 HydrophobicContact CD2-CB 3.97Å; W55-W60 HydrophobicContact CE3-CB 3.48Å; W55-W60 VanDerWaalsContact CE3-CB 3.48Å; W55-W60 HydrophobicContact CH2-CB 3.62Å; W55-W60 HydrophobicContact CZ2-CB 4.04Å; W55-W60 HydrophobicContact CZ3-CB 3.35Å; W55-S61 VanDerWaalsContact CZ3-OG 3.28Å; W55-S61 WeakPolarHBondContact CZ3-OG 3.34Å; W55-L64 HydrophobicContact CH2-CD2 4.33Å; W55-L95 HydrophobicContact CZ3-CD1 4.41Å | ||
| 56 | K | 53.2 | Low | 67.4 | Low | 192 Ų | 192 | 96.7 Ų | 96.7 | 84% | 0.835 | 49% | 0.493 | S | S | * | . | trans | -55.1 | -17.6 | 159 | -87.4 | 179.9 | 172.7 | -177.8 | 0 | 112.3 | I54 T58 | I54-K56 VanDerWaalsContact C-N 3.25Å; I54-K56 PolarHBondContact O-N 3.33Å; K56-T58 PolarHBondContact O-N 2.92Å | ||
| 57 | G | 55.6 | Low | 67.7 | Low | 15 Ų | 15 | 97.4 Ų | 97.4 | 16% | 0.155 | 50% | 0.499 | C | S | . | . | trans | -86.6 | 88.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | W55 I59 W60 | W55-G57 PolarHBondContact O-N 3.24Å; W55-G57 VanDerWaalsContact O-N 3.09Å; G57-I59 PolarHBondContact O-N 2.87Å; G57-W60 PolarHBondContact O-N 3.45Å | ||
| 58 | T | 68.5 | Low | 68 | Low | 97 Ų | 97 | 90.7 Ų | 90.7 | 60% | 0.595 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -45.3 | -28.6 | 149.6 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | K56 W60 S61 L62 | K56-T58 PolarHBondContact O-N 2.92Å; T58-W60 PolarHBondContact O-N 3.24Å; T58-S61 PolarHBondContact O-N 2.81Å; T58-L62 VanDerWaalsContact O-CB 3.27Å; T58-L62 WeakPolarHBondContact O-CB 3.36Å; T58-L62 PolarHBondContact O-N 3.33Å |
| 59 | I | 72.2 | Confident | 68.5 | Low | 124 Ų | 124 | 90.6 Ų | 90.6 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -56.5 | -39.6 | 171.8 | -57.2 | 169.2 | 0 | 0 | 0 | 112.9 | G57 L62 L63 | G57-I59 PolarHBondContact O-N 2.87Å; I59-L62 PolarHBondContact O-N 3.27Å; I59-L63 WeakPolarHBondContact O-CB 3.47Å; I59-L63 PolarHBondContact O-N 3.47Å |
| 60 | W | 74.4 | Confident | 69.6 | Low | 164 Ų | 164 | 88.6 Ų | 88.6 | 62% | 0.621 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -70.2 | -39.8 | 177.3 | -80.1 | 101.6 | 0 | 0 | 0 | 111.4 | W55 G57 T58 L62 L63 L64 | W55-W60 HydrophobicContact CD2-CB 3.97Å; W55-W60 HydrophobicContact CE3-CB 3.48Å; W55-W60 VanDerWaalsContact CE3-CB 3.48Å; W55-W60 HydrophobicContact CH2-CB 3.62Å; W55-W60 HydrophobicContact CZ2-CB 4.04Å; W55-W60 HydrophobicContact CZ3-CB 3.35Å; G57-W60 PolarHBondContact O-N 3.45Å; T58-W60 PolarHBondContact O-N 3.24Å; W60-L62 VanDerWaalsContact C-N 3.32Å; W60-L63 PolarHBondContact O-N 2.87Å; W60-L64 VanDerWaalsContact O-CB 3.27Å; W60-L64 WeakPolarHBondContact O-CB 3.29Å; W60-L64 PolarHBondContact O-N 2.87Å |
| 61 | S | 75.4 | Confident | 70.8 | Confident | 9 Ų | 9 | 88.8 Ų | 88.8 | 6% | 0.063 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -66.9 | -38.8 | 174.5 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | W55 T58 S65 L95 | W55-S61 VanDerWaalsContact CZ3-OG 3.28Å; W55-S61 WeakPolarHBondContact CZ3-OG 3.34Å; T58-S61 PolarHBondContact O-N 2.81Å; S61-S65 WeakPolarHBondContact O-CB 3.4Å; S61-S65 PolarHBondContact O-N 3.41Å; S61-L95 VanDerWaalsContact O-CD2 3.31Å; S61-L95 WeakPolarHBondContact O-CD2 3.46Å |
| 62 | L | 79.2 | Confident | 72.2 | Confident | 101 Ų | 101 | 84.9 Ų | 84.9 | 53% | 0.529 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.7 | -48.6 | 174.8 | -178 | 66.8 | 0 | 0 | 0 | 111.1 | T58 I59 W60 L64 S65 I66 | T58-L62 VanDerWaalsContact O-CB 3.27Å; T58-L62 WeakPolarHBondContact O-CB 3.36Å; T58-L62 PolarHBondContact O-N 3.33Å; I59-L62 PolarHBondContact O-N 3.27Å; W60-L62 VanDerWaalsContact C-N 3.32Å; L62-L64 PolarHBondContact O-N 3.1Å; L62-S65 WeakPolarHBondContact O-CB 3.44Å; L62-S65 PolarHBondContact O-N 3.15Å; L62-I66 HydrophobicContact CD1-CD1 4.21Å; L62-I66 HydrophobicContact CG-CD1 3.95Å; L62-I66 VanDerWaalsContact O-CG1 3.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.4Å; L62-I66 PolarHBondContact O-N 3.33Å |
| 63 | L | 84.1 | Confident | 73.4 | Confident | 102 Ų | 102 | 90.4 Ų | 90.4 | 53% | 0.534 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | -178.5 | -172.4 | 65 | 0 | 0 | 0 | 111.3 | I59 W60 S65 I66 A67 | I59-L63 WeakPolarHBondContact O-CB 3.47Å; I59-L63 PolarHBondContact O-N 3.47Å; W60-L63 PolarHBondContact O-N 2.87Å; L63-S65 VanDerWaalsContact C-N 3.34Å; L63-I66 PolarHBondContact O-N 2.84Å; L63-A67 WeakPolarHBondContact O-CB 3.5Å; L63-A67 PolarHBondContact O-N 3.39Å |
| 64 | L | 81.2 | Confident | 74.5 | Confident | 76 Ų | 76 | 86.6 Ų | 86.6 | 40% | 0.398 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 176.4 | -176 | 65.3 | 0 | 0 | 0 | 111.2 | W55 W60 L62 A67 L68 L95 | W55-L64 HydrophobicContact CH2-CD2 4.33Å; W60-L64 VanDerWaalsContact O-CB 3.27Å; W60-L64 WeakPolarHBondContact O-CB 3.29Å; W60-L64 PolarHBondContact O-N 2.87Å; L62-L64 PolarHBondContact O-N 3.1Å; L64-A67 PolarHBondContact O-N 2.8Å; L64-L68 HydrophobicContact CD1-CD1 3.74Å; L64-L68 HydrophobicContact CG-CD1 4.07Å; L64-L68 WeakPolarHBondContact O-CD1 3.04Å; L64-L68 PolarHBondContact O-N 2.85Å; L64-L95 HydrophobicContact CB-CD2 3.65Å; L64-L95 HydrophobicContact CD2-CD1 3.99Å; L64-L95 HydrophobicContact CD2-CD2 3.74Å; L64-L95 HydrophobicContact CD2-CG 4.45Å; L64-L95 HydrophobicContact CG-CD2 3.62Å |
| 65 | S | 82.8 | Confident | 75.6 | Confident | 27 Ų | 27 | 81 Ų | 81 | 19% | 0.189 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 173.7 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | S61 L62 L63 L68 L69 F92 | S61-S65 WeakPolarHBondContact O-CB 3.4Å; S61-S65 PolarHBondContact O-N 3.41Å; L62-S65 WeakPolarHBondContact O-CB 3.44Å; L62-S65 PolarHBondContact O-N 3.15Å; L63-S65 VanDerWaalsContact C-N 3.34Å; S65-L68 PolarHBondContact O-N 2.85Å; S65-L69 WeakPolarHBondContact O-CG 3.38Å; S65-L69 PolarHBondContact O-N 2.86Å; S65-F92 WeakPolarHBondContact OG-CD2 3.28Å; S65-F92 WeakPolarHBondContact OG-CE2 3.28Å |
| 66 | I | 86.9 | Confident | 76 | Confident | 74 Ų | 74 | 83.3 Ų | 83.3 | 38% | 0.379 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.7 | -45.3 | 174.7 | -68.1 | 166 | 0 | 0 | 0 | 110.7 | L62 L63 L68 L69 L70 | L62-I66 HydrophobicContact CD1-CD1 4.21Å; L62-I66 HydrophobicContact CG-CD1 3.95Å; L62-I66 VanDerWaalsContact O-CG1 3.27Å; L62-I66 WeakPolarHBondContact O-CG1 3.4Å; L62-I66 PolarHBondContact O-N 3.33Å; L63-I66 PolarHBondContact O-N 2.84Å; I66-L68 VanDerWaalsContact C-N 3.31Å; I66-L68 PolarHBondContact O-N 3.33Å; I66-L69 PolarHBondContact O-N 3.43Å; I66-L70 HydrophobicContact CG2-CD1 4.03Å; I66-L70 HydrophobicContact CG2-CG 4.31Å; I66-L70 WeakPolarHBondContact O-CG 3.45Å; I66-L70 PolarHBondContact O-N 2.93Å |
| 67 | A | 85.8 | Confident | 76.5 | Confident | 40 Ų | 40 | 82.1 Ų | 82.1 | 33% | 0.331 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59 | -43 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L63 L64 L70 L71 | L63-A67 WeakPolarHBondContact O-CB 3.5Å; L63-A67 PolarHBondContact O-N 3.39Å; L64-A67 PolarHBondContact O-N 2.8Å; A67-L70 PolarHBondContact O-N 3.17Å; A67-L71 WeakPolarHBondContact O-CB 3.34Å; A67-L71 VanDerWaalsContact O-CG 3.28Å; A67-L71 WeakPolarHBondContact O-CG 3.44Å; A67-L71 PolarHBondContact O-N 3.38Å |
| 68 | L | 83.3 | Confident | 77 | Confident | 22 Ų | 22 | 84.5 Ų | 84.5 | 12% | 0.115 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 176.3 | -91.9 | 66.9 | 0 | 0 | 0 | 112.1 | L64 S65 I66 L71 I72 Y88 G91 F92 | L64-L68 HydrophobicContact CD1-CD1 3.74Å; L64-L68 HydrophobicContact CG-CD1 4.07Å; L64-L68 WeakPolarHBondContact O-CD1 3.04Å; L64-L68 PolarHBondContact O-N 2.85Å; S65-L68 PolarHBondContact O-N 2.85Å; I66-L68 VanDerWaalsContact C-N 3.31Å; I66-L68 PolarHBondContact O-N 3.33Å; L68-L71 PolarHBondContact O-N 2.95Å; L68-I72 WeakPolarHBondContact O-CD1 3.33Å; L68-I72 WeakPolarHBondContact O-CG1 3.08Å; L68-I72 PolarHBondContact O-N 3.32Å; L68-Y88 WeakPolarHBondContact CD2-O 3.4Å; L68-G91 VanDerWaalsContact CD2-C 3.43Å; L68-F92 HydrophobicContact CB-CB 4.32Å; L68-F92 HydrophobicContact CD2-CB 3.94Å |
| 69 | L | 83.3 | Confident | 76.6 | Confident | 85 Ų | 85 | 90.8 Ų | 90.8 | 45% | 0.445 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 174.7 | -71.9 | 172.7 | 0 | 0 | 0 | 112.1 | S65 I66 I72 N73 F92 | S65-L69 WeakPolarHBondContact O-CG 3.38Å; S65-L69 PolarHBondContact O-N 2.86Å; I66-L69 PolarHBondContact O-N 3.43Å; L69-I72 PolarHBondContact O-N 3.39Å; L69-N73 WeakPolarHBondContact O-CB 3.43Å; L69-N73 PolarHBondContact O-N 3.34Å; L69-F92 HydrophobicContact CD1-CE2 4.1Å; L69-F92 HydrophobicContact CD2-CD2 4.25Å; L69-F92 HydrophobicContact CD2-CE2 3.98Å; L69-F92 HydrophobicContact CD2-CZ 4.39Å; L69-F92 HydrophobicContact CG-CD2 4.19Å; L69-F92 HydrophobicContact CG-CE2 3.97Å |
| 70 | L | 84.8 | Confident | 76.4 | Confident | 119 Ų | 119 | 92.8 Ų | 92.8 | 62% | 0.623 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.2 | -42 | 175.1 | -68.4 | 174.8 | 0 | 0 | 0 | 111.5 | I66 A67 I72 N73 G74 | I66-L70 HydrophobicContact CG2-CD1 4.03Å; I66-L70 HydrophobicContact CG2-CG 4.31Å; I66-L70 WeakPolarHBondContact O-CG 3.45Å; I66-L70 PolarHBondContact O-N 2.93Å; A67-L70 PolarHBondContact O-N 3.17Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-I72 PolarHBondContact O-N 3.39Å; L70-N73 PolarHBondContact O-N 2.95Å; L70-G74 PolarHBondContact O-N 2.89Å |
| 71 | L | 81.4 | Confident | 76.2 | Confident | 83 Ų | 83 | 87.3 Ų | 87.3 | 44% | 0.435 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 174.4 | -74.7 | 165.8 | 0 | 0 | 0 | 112 | A67 L68 T75 Y88 | A67-L71 WeakPolarHBondContact O-CB 3.34Å; A67-L71 VanDerWaalsContact O-CG 3.28Å; A67-L71 WeakPolarHBondContact O-CG 3.44Å; A67-L71 PolarHBondContact O-N 3.38Å; L68-L71 PolarHBondContact O-N 2.95Å; L71-T75 WeakPolarHBondContact O-CB 3.28Å; L71-T75 VanDerWaalsContact O-CG2 3.29Å; L71-T75 WeakPolarHBondContact O-CG2 3.49Å; L71-T75 PolarHBondContact O-N 3.34Å; L71-Y88 HydrophobicContact CD1-CD1 4.37Å; L71-Y88 HydrophobicContact CD1-CE1 4.17Å |
| 72 | I | 78 | Confident | 76 | Confident | 36 Ų | 36 | 93 Ų | 93 | 19% | 0.185 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -67.9 | -38.2 | 177 | -68.6 | 163.8 | 0 | 0 | 0 | 111.6 | L68 L69 L70 T75 L89 | L68-I72 WeakPolarHBondContact O-CD1 3.33Å; L68-I72 WeakPolarHBondContact O-CG1 3.08Å; L68-I72 PolarHBondContact O-N 3.32Å; L69-I72 PolarHBondContact O-N 3.39Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-I72 PolarHBondContact O-N 3.39Å; I72-T75 WeakPolarHBondContact O-CG2 3.34Å; I72-L89 HydrophobicContact CD1-CB 4.49Å |
| 73 | N | 77.8 | Confident | 75.9 | Confident | 144 Ų | 144 | 96.5 Ų | 96.5 | 77% | 0.77 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.9 | -41.3 | 179.5 | -168.5 | -87.9 | 0 | 0 | 0 | 111.8 | L69 L70 T75 | L69-N73 WeakPolarHBondContact O-CB 3.43Å; L69-N73 PolarHBondContact O-N 3.34Å; L70-N73 PolarHBondContact O-N 2.95Å; N73-T75 PolarHBondContact O-N 2.95Å |
| 74 | G | 74.9 | Confident | 75.8 | Confident | 62 Ų | 62 | 95.7 Ų | 95.7 | 64% | 0.639 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -74.8 | -19.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L70 Q76 | L70-G74 PolarHBondContact O-N 2.89Å; G74-Q76 PolarHBondContact O-N 2.97Å |
| 75 | T | 73.8 | Confident | 75.9 | Confident | 28 Ų | 28 | 94.8 Ų | 94.8 | 17% | 0.172 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -82.7 | 121.3 | -177.1 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | L71 I72 N73 R85 | L71-T75 WeakPolarHBondContact O-CB 3.28Å; L71-T75 VanDerWaalsContact O-CG2 3.29Å; L71-T75 WeakPolarHBondContact O-CG2 3.49Å; L71-T75 PolarHBondContact O-N 3.34Å; I72-T75 WeakPolarHBondContact O-CG2 3.34Å; N73-T75 PolarHBondContact O-N 2.95Å; T75-R85 HydrophobicContact CG2-CG 3.22Å; T75-R85 PolarHBondContact O-NH1 2.82Å |
| 76 | Q | 60 | Low | 75.9 | Confident | 149 Ų | 149 | 96.9 Ų | 96.9 | 70% | 0.696 | 49% | 0.485 | S | S | * | . | trans | -61 | 144.4 | -178.2 | -62 | -179.7 | -59 | 0 | 0 | 111.7 | G74 T78 | G74-Q76 PolarHBondContact O-N 2.97Å; Q76-T78 PolarHBondContact O-N 3.33Å | ||
| 77 | H | 62.6 | Low | 75.8 | Confident | 168 Ų | 168 | 97 Ų | 97 | 78% | 0.778 | 49% | 0.492 | S | S | * | . | trans | -72 | 55.5 | -179.6 | -65.7 | -94.8 | 0 | 0 | 0 | 112.7 | R85 | H77-R85 PolarHBondContact CD2-NH1 2.87Å; H77-R85 VanDerWaalsContact CE1-CZ 3.45Å; H77-R85 PolarHBondContact CE1-NH1 3.23Å; H77-R85 PolarHBondContact CE1-NH2 3.45Å; H77-R85 PolarHBondContact ND1-NH1 3.49Å; H77-R85 PolarHBondContact NE2-NH1 3.27Å | ||
| 78 | T | 65.9 | Low | 75.8 | Confident | 64 Ų | 64 | 99.1 Ų | 99.1 | 39% | 0.393 | 49% | 0.492 | S | S | . | . | trans | -92.1 | 143.5 | 172.8 | -53.3 | 0 | 0 | 0 | 0 | 109.6 | Q76 E80 N81 E82 | Q76-T78 PolarHBondContact O-N 3.33Å; T78-E80 PolarHBondContact O-N 2.94Å; T78-N81 PolarHBondContact O-N 2.89Å; T78-E82 PolarHBondContact O-N 3.46Å; T78-E82 VanDerWaalsContact O-N 3.13Å | ||
| 79 | R | 60.9 | Low | 75.9 | Confident | 230 Ų | 230 | 101.1 Ų | 101.1 | 87% | 0.868 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -34 | 180 | -72.7 | -175.1 | -179.4 | 179 | 1.9 | 113.4 | ||
| 80 | E | 68.3 | Low | 76.1 | Confident | 166 Ų | 166 | 100.8 Ų | 100.8 | 78% | 0.776 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -35.1 | 177.5 | -65.6 | -175.5 | 100.9 | 0 | 0 | 112.2 | T78 | T78-E80 PolarHBondContact O-N 2.94Š|
| 81 | N | 68.9 | Low | 76.2 | Confident | 48 Ų | 48 | 96.9 Ų | 96.9 | 26% | 0.257 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -10.7 | -179.8 | -65.9 | -20.5 | 0 | 0 | 0 | 113.2 | T78 K83 L84 R85 | T78-N81 PolarHBondContact O-N 2.89Å; N81-K83 VanDerWaalsContact C-N 3.26Å; N81-K83 PolarHBondContact O-N 2.87Å; N81-L84 WeakPolarHBondContact O-CB 3.35Å; N81-L84 PolarHBondContact O-N 3.41Å; N81-L84 VanDerWaalsContact O-N 3.1Å; N81-R85 WeakPolarHBondContact O-CG 3.27Å; N81-R85 PolarHBondContact O-N 3.36Å |
| 82 | E | 72.8 | Confident | 76.5 | Confident | 129 Ų | 129 | 95.9 Ų | 95.9 | 60% | 0.603 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -57.9 | -40.6 | 177 | -171.9 | 178.7 | 108.8 | 0 | 0 | 111.5 | T78 R85 F86 | T78-E82 PolarHBondContact O-N 3.46Å; T78-E82 VanDerWaalsContact O-N 3.13Å; E82-R85 WeakPolarHBondContact O-CB 3.27Å; E82-R85 PolarHBondContact O-N 2.89Å; E82-F86 WeakPolarHBondContact O-CB 3.5Å; E82-F86 PolarHBondContact O-N 3.28Å |
| 83 | K | 76.9 | Confident | 77 | Confident | 174 Ų | 174 | 94.8 Ų | 94.8 | 76% | 0.757 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.2 | -39.4 | 176.2 | -64.7 | -177.3 | -177.3 | 179.3 | 0 | 112.1 | N81 F86 C87 | N81-K83 VanDerWaalsContact C-N 3.26Å; N81-K83 PolarHBondContact O-N 2.87Å; K83-F86 PolarHBondContact O-N 2.81Å; K83-C87 WeakPolarHBondContact O-CB 3.33Å; K83-C87 PolarHBondContact O-N 3.48Å |
| 84 | L | 81.9 | Confident | 77.3 | Confident | 86 Ų | 86 | 88.6 Ų | 88.6 | 45% | 0.45 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66 | -44.1 | 175.9 | -70.8 | 171.6 | 0 | 0 | 0 | 110.9 | N81 F86 C87 Y88 | N81-L84 WeakPolarHBondContact O-CB 3.35Å; N81-L84 PolarHBondContact O-N 3.41Å; N81-L84 VanDerWaalsContact O-N 3.1Å; L84-F86 VanDerWaalsContact C-N 3.3Å; L84-F86 PolarHBondContact O-N 2.79Å; L84-C87 WeakPolarHBondContact O-CB 3.48Å; L84-C87 PolarHBondContact O-N 2.87Å; L84-C87 VanDerWaalsContact O-N 3.1Å; L84-Y88 HydrophobicContact CB-CE2 4.16Å; L84-Y88 WeakPolarHBondContact O-CD2 3.2Å; L84-Y88 PolarHBondContact O-N 3.38Å |
| 85 | R | 81.9 | Confident | 77.7 | Confident | 56 Ų | 56 | 86.5 Ų | 86.5 | 21% | 0.211 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -56.2 | -44.8 | 172.4 | -75 | 177.3 | 78.2 | 141.9 | -2.6 | 112.1 | T75 H77 N81 E82 C87 Y88 L89 | T75-R85 HydrophobicContact CG2-CG 3.22Å; T75-R85 PolarHBondContact O-NH1 2.82Å; H77-R85 PolarHBondContact CD2-NH1 2.87Å; H77-R85 VanDerWaalsContact CE1-CZ 3.45Å; H77-R85 PolarHBondContact CE1-NH1 3.23Å; H77-R85 PolarHBondContact CE1-NH2 3.45Å; H77-R85 PolarHBondContact ND1-NH1 3.49Å; H77-R85 PolarHBondContact NE2-NH1 3.27Å; N81-R85 WeakPolarHBondContact O-CG 3.27Å; N81-R85 PolarHBondContact O-N 3.36Å; E82-R85 WeakPolarHBondContact O-CB 3.27Å; E82-R85 PolarHBondContact O-N 2.89Å; R85-C87 VanDerWaalsContact C-N 3.33Å; R85-Y88 PolarHBondContact O-N 2.85Å; R85-L89 WeakPolarHBondContact O-CB 3.39Å; R85-L89 PolarHBondContact O-N 3.49Å |
| 86 | F | 83.1 | Confident | 78.2 | Confident | 71 Ų | 71 | 88.1 Ų | 88.1 | 31% | 0.311 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 176.6 | 176.9 | -107.5 | 0 | 0 | 0 | 111.7 | A37 E82 K83 L84 L89 M90 | A37-F86 HydrophobicContact CB-CE2 4.23Å; A37-F86 HydrophobicContact CB-CZ 3.54Å; E82-F86 WeakPolarHBondContact O-CB 3.5Å; E82-F86 PolarHBondContact O-N 3.28Å; K83-F86 PolarHBondContact O-N 2.81Å; L84-F86 VanDerWaalsContact C-N 3.3Å; L84-F86 PolarHBondContact O-N 2.79Å; F86-L89 PolarHBondContact O-N 2.93Å; F86-M90 HydrophobicContact CE1-SD 4.33Å; F86-M90 HydrophobicContact CZ-SD 4.34Å; F86-M90 WeakPolarHBondContact O-CB 3.47Å; F86-M90 PolarHBondContact O-N 3.26Å |
| 87 | C | 85.3 | Confident | 79.3 | Confident | 78 Ų | 78 | 81.3 Ų | 81.3 | 53% | 0.527 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 174.5 | -168.2 | 0 | 0 | 0 | 0 | 112.3 | K83 L84 R85 L89 M90 G91 | K83-C87 WeakPolarHBondContact O-CB 3.33Å; K83-C87 PolarHBondContact O-N 3.48Å; L84-C87 WeakPolarHBondContact O-CB 3.48Å; L84-C87 PolarHBondContact O-N 2.87Å; L84-C87 VanDerWaalsContact O-N 3.1Å; R85-C87 VanDerWaalsContact C-N 3.33Å; C87-L89 VanDerWaalsContact C-N 3.32Å; C87-L89 PolarHBondContact O-N 2.87Å; C87-M90 WeakPolarHBondContact O-CB 3.35Å; C87-M90 PolarHBondContact O-N 2.99Å; C87-M90 VanDerWaalsContact O-N 3.15Å; C87-G91 PolarHBondContact O-N 3.45Å |
| 88 | Y | 85.7 | Confident | 80.1 | Confident | 83 Ų | 83 | 75.9 Ų | 75.9 | 33% | 0.325 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 173.6 | -65.1 | -55.6 | 0 | 0 | 0 | 111.8 | L68 L71 L84 R85 M90 G91 F92 | L68-Y88 WeakPolarHBondContact CD2-O 3.4Å; L71-Y88 HydrophobicContact CD1-CD1 4.37Å; L71-Y88 HydrophobicContact CD1-CE1 4.17Å; L84-Y88 HydrophobicContact CB-CE2 4.16Å; L84-Y88 WeakPolarHBondContact O-CD2 3.2Å; L84-Y88 PolarHBondContact O-N 3.38Å; R85-Y88 PolarHBondContact O-N 2.85Å; Y88-M90 VanDerWaalsContact C-N 3.32Å; Y88-M90 PolarHBondContact O-N 3.24Å; Y88-G91 PolarHBondContact O-N 2.88Å; Y88-F92 WeakPolarHBondContact O-CB 3.06Å; Y88-F92 PolarHBondContact O-N 3.33Å |
| 89 | L | 85.9 | Confident | 80.7 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 34% | 0.34 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 173.7 | -175.7 | 152.2 | 0 | 0 | 0 | 111.3 | I72 R85 F86 C87 G91 F92 A93 | I72-L89 HydrophobicContact CD1-CB 4.49Å; R85-L89 WeakPolarHBondContact O-CB 3.39Å; R85-L89 PolarHBondContact O-N 3.49Å; F86-L89 PolarHBondContact O-N 2.93Å; C87-L89 VanDerWaalsContact C-N 3.32Å; C87-L89 PolarHBondContact O-N 2.87Å; L89-G91 VanDerWaalsContact C-N 3.34Å; L89-F92 PolarHBondContact O-N 3.43Å; L89-A93 WeakPolarHBondContact O-CB 3.31Å; L89-A93 PolarHBondContact O-N 2.79Å |
| 90 | M | 87.2 | Confident | 81.4 | Confident | 78 Ų | 78 | 67.6 Ų | 67.6 | 38% | 0.384 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 176.9 | -157.5 | 168.4 | 96.1 | 0 | 0 | 111.7 | A41 F86 C87 Y88 A93 G94 | A41-M90 HydrophobicContact CB-CG 3.24Å; A41-M90 HydrophobicContact CB-SD 4.1Å; F86-M90 HydrophobicContact CE1-SD 4.33Å; F86-M90 HydrophobicContact CZ-SD 4.34Å; F86-M90 WeakPolarHBondContact O-CB 3.47Å; F86-M90 PolarHBondContact O-N 3.26Å; C87-M90 WeakPolarHBondContact O-CB 3.35Å; C87-M90 PolarHBondContact O-N 2.99Å; C87-M90 VanDerWaalsContact O-N 3.15Å; Y88-M90 VanDerWaalsContact C-N 3.32Å; Y88-M90 PolarHBondContact O-N 3.24Å; M90-A93 PolarHBondContact O-N 2.97Å; M90-G94 PolarHBondContact O-N 3.23Å |
| 91 | G | 87.3 | Confident | 81.7 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L68 C87 Y88 L89 G94 L95 | L68-G91 VanDerWaalsContact CD2-C 3.43Å; C87-G91 PolarHBondContact O-N 3.45Å; Y88-G91 PolarHBondContact O-N 2.88Å; L89-G91 VanDerWaalsContact C-N 3.34Å; G91-G94 PolarHBondContact O-N 3.06Å; G91-L95 WeakPolarHBondContact O-CB 3.47Å; G91-L95 PolarHBondContact O-N 2.84Å |
| 92 | F | 87.2 | Confident | 81.8 | Confident | 62 Ų | 62 | 62.9 Ų | 62.9 | 27% | 0.272 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 176.6 | 167.5 | -93.4 | 0 | 0 | 0 | 110.7 | S65 L68 L69 Y88 L89 L95 S96 | S65-F92 WeakPolarHBondContact OG-CD2 3.28Å; S65-F92 WeakPolarHBondContact OG-CE2 3.28Å; L68-F92 HydrophobicContact CB-CB 4.32Å; L68-F92 HydrophobicContact CD2-CB 3.94Å; L69-F92 HydrophobicContact CD1-CE2 4.1Å; L69-F92 HydrophobicContact CD2-CD2 4.25Å; L69-F92 HydrophobicContact CD2-CE2 3.98Å; L69-F92 HydrophobicContact CD2-CZ 4.39Å; L69-F92 HydrophobicContact CG-CD2 4.19Å; L69-F92 HydrophobicContact CG-CE2 3.97Å; Y88-F92 WeakPolarHBondContact O-CB 3.06Å; Y88-F92 PolarHBondContact O-N 3.33Å; L89-F92 PolarHBondContact O-N 3.43Å; F92-L95 PolarHBondContact O-N 3.48Å; F92-S96 WeakPolarHBondContact O-CB 3.23Å; F92-S96 PolarHBondContact O-N 2.9Å |
| 93 | A | 88.6 | Confident | 81.9 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 11% | 0.107 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A42 L89 M90 S96 G97 | A42-A93 WeakPolarHBondContact CA-O 3.45Å; A42-A93 HydrophobicContact CB-CB 4.49Å; A42-A93 WeakPolarHBondContact CB-O 3.33Å; L89-A93 WeakPolarHBondContact O-CB 3.31Å; L89-A93 PolarHBondContact O-N 2.79Å; M90-A93 PolarHBondContact O-N 2.97Å; A93-S96 PolarHBondContact O-N 3.27Å; A93-G97 PolarHBondContact O-N 3.04Å |
| 94 | G | 85.2 | Confident | 81.7 | Confident | 15 Ų | 15 | 56.5 Ų | 56.5 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M90 G91 G97 L98 | M90-G94 PolarHBondContact O-N 3.23Å; G91-G94 PolarHBondContact O-N 3.06Å; G94-G97 PolarHBondContact O-N 3.29Å; G94-L98 PolarHBondContact O-N 3.46Å |
| 95 | L | 83.3 | Confident | 81.2 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 9% | 0.089 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.7 | -39.1 | 176.1 | -175.8 | 63.8 | 0 | 0 | 0 | 112.7 | W55 S61 L64 G91 F92 G97 L98 S99 | W55-L95 HydrophobicContact CZ3-CD1 4.41Å; S61-L95 VanDerWaalsContact O-CD2 3.31Å; S61-L95 WeakPolarHBondContact O-CD2 3.46Å; L64-L95 HydrophobicContact CB-CD2 3.65Å; L64-L95 HydrophobicContact CD2-CD1 3.99Å; L64-L95 HydrophobicContact CD2-CD2 3.74Å; L64-L95 HydrophobicContact CD2-CG 4.45Å; L64-L95 HydrophobicContact CG-CD2 3.62Å; G91-L95 WeakPolarHBondContact O-CB 3.47Å; G91-L95 PolarHBondContact O-N 2.84Å; F92-L95 PolarHBondContact O-N 3.48Å; L95-G97 VanDerWaalsContact C-N 3.29Å; L95-G97 PolarHBondContact O-N 3.15Å; L95-L98 PolarHBondContact O-N 3.41Å; L95-S99 WeakPolarHBondContact O-CB 3.36Å; L95-S99 PolarHBondContact O-N 2.83Å |
| 96 | S | 83.8 | Confident | 80.7 | Confident | 63 Ų | 63 | 61.4 Ų | 61.4 | 44% | 0.441 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 172.3 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | F92 A93 S99 T100 | F92-S96 WeakPolarHBondContact O-CB 3.23Å; F92-S96 PolarHBondContact O-N 2.9Å; A93-S96 PolarHBondContact O-N 3.27Å; S96-S99 PolarHBondContact O-N 3.24Å; S96-T100 PolarHBondContact O-N 3.06Å; S96-T100 PolarHBondContact O-OG1 2.85Å |
| 97 | G | 82.9 | Confident | 80.2 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 6% | 0.062 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A93 G94 L95 S99 T100 | A93-G97 PolarHBondContact O-N 3.04Å; G94-G97 PolarHBondContact O-N 3.29Å; L95-G97 VanDerWaalsContact C-N 3.29Å; L95-G97 PolarHBondContact O-N 3.15Å; G97-S99 VanDerWaalsContact C-N 3.35Å; G97-S99 PolarHBondContact O-N 2.65Å; G97-T100 VanDerWaalsContact O-CB 3.23Å; G97-T100 WeakPolarHBondContact O-CB 3.48Å; G97-T100 PolarHBondContact O-N 3.03Å |
| 98 | L | 79.7 | Confident | 79.5 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 28% | 0.283 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 176.7 | -171.4 | 141.3 | 0 | 0 | 0 | 112.5 | V50 G94 L95 T100 G101 | V50-L98 HydrophobicContact CG2-CD1 4.2Å; G94-L98 PolarHBondContact O-N 3.46Å; L95-L98 PolarHBondContact O-N 3.41Å; L98-T100 PolarHBondContact O-N 3.22Å; L98-G101 WeakPolarHBondContact O-CA 3.34Å; L98-G101 PolarHBondContact O-N 3.33Å |
| 99 | S | 78.3 | Confident | 78.7 | Confident | 58 Ų | 58 | 61 Ų | 61 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.1 | -19.1 | 173.6 | -172.6 | 0 | 0 | 0 | 0 | 112.9 | L95 S96 G97 G101 P102 | L95-S99 WeakPolarHBondContact O-CB 3.36Å; L95-S99 PolarHBondContact O-N 2.83Å; S96-S99 PolarHBondContact O-N 3.24Å; G97-S99 VanDerWaalsContact C-N 3.35Å; G97-S99 PolarHBondContact O-N 2.65Å; S99-G101 PolarHBondContact O-N 3.02Å; S99-P102 WeakPolarHBondContact O-CD 3.39Å |
| 100 | T | 75.8 | Confident | 77.8 | Confident | 61 Ų | 61 | 62.1 Ų | 62.1 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -7.4 | 172 | -49.5 | 0 | 0 | 0 | 0 | 111.4 | S96 G97 L98 L103 L104 | S96-T100 PolarHBondContact O-N 3.06Å; S96-T100 PolarHBondContact O-OG1 2.85Å; G97-T100 VanDerWaalsContact O-CB 3.23Å; G97-T100 WeakPolarHBondContact O-CB 3.48Å; G97-T100 PolarHBondContact O-N 3.03Å; L98-T100 PolarHBondContact O-N 3.22Å; T100-L103 HydrophobicContact CG2-CB 4.09Å; T100-L103 HydrophobicContact CG2-CD2 3.99Å; T100-L103 WeakPolarHBondContact O-CA 3.29Å; T100-L103 VanDerWaalsContact O-CB 3.28Å; T100-L103 WeakPolarHBondContact O-CB 3.47Å; T100-L103 PolarHBondContact O-N 3.1Å; T100-L104 PolarHBondContact O-N 3.4Å |
| 101 | G | 73.8 | Confident | 76.6 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 22% | 0.216 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -48.7 | -51.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | L98 S99 L103 L104 D105 | L98-G101 WeakPolarHBondContact O-CA 3.34Å; L98-G101 PolarHBondContact O-N 3.33Å; S99-G101 PolarHBondContact O-N 3.02Å; G101-L103 PolarHBondContact O-N 3.35Å; G101-L104 WeakPolarHBondContact O-CA 3.2Å; G101-L104 WeakPolarHBondContact O-CB 3.27Å; G101-L104 PolarHBondContact O-N 2.71Å; G101-D105 PolarHBondContact O-N 3.46Å |
| 102 | P | 71.1 | Confident | 75.2 | Confident | 95 Ų | 95 | 65.9 Ų | 65.9 | 62% | 0.617 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.8 | -31.3 | 176.6 | -24.1 | 34.4 | 0 | 0 | 0 | 113.7 | S99 Y106 | S99-P102 WeakPolarHBondContact O-CD 3.39Å; P102-Y106 PolarHBondContact O-N 2.94Å |
| 103 | L | 74.7 | Confident | 73.9 | Confident | 103 Ų | 103 | 65.3 Ų | 65.3 | 54% | 0.539 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.2 | -39.6 | 174.7 | -172.4 | 66.7 | 0 | 0 | 0 | 110.8 | T100 G101 Y106 I107 | T100-L103 HydrophobicContact CG2-CB 4.09Å; T100-L103 HydrophobicContact CG2-CD2 3.99Å; T100-L103 WeakPolarHBondContact O-CA 3.29Å; T100-L103 VanDerWaalsContact O-CB 3.28Å; T100-L103 WeakPolarHBondContact O-CB 3.47Å; T100-L103 PolarHBondContact O-N 3.1Å; G101-L103 PolarHBondContact O-N 3.35Å; L103-Y106 WeakPolarHBondContact O-CB 3.4Å; L103-Y106 PolarHBondContact O-N 3.09Å; L103-I107 HydrophobicContact CG-CD1 4.45Å; L103-I107 WeakPolarHBondContact O-CG1 3.4Å; L103-I107 PolarHBondContact O-N 3.41Å |
| 104 | L | 72.4 | Confident | 72.6 | Confident | 65 Ų | 65 | 71.3 Ų | 71.3 | 34% | 0.34 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 174.6 | -152.5 | 91.4 | 0 | 0 | 0 | 111.1 | T100 G101 Y106 I107 I108 | T100-L104 PolarHBondContact O-N 3.4Å; G101-L104 WeakPolarHBondContact O-CA 3.2Å; G101-L104 WeakPolarHBondContact O-CB 3.27Å; G101-L104 PolarHBondContact O-N 2.71Å; L104-Y106 VanDerWaalsContact C-N 3.3Å; L104-Y106 PolarHBondContact O-N 3.15Å; L104-I107 PolarHBondContact O-N 2.8Å; L104-I108 HydrophobicContact CD2-CD1 3.91Å; L104-I108 HydrophobicContact CG-CD1 4.08Å; L104-I108 WeakPolarHBondContact O-CB 3.28Å; L104-I108 VanDerWaalsContact O-CG1 3.25Å; L104-I108 WeakPolarHBondContact O-CG1 3.46Å; L104-I108 PolarHBondContact O-N 2.88Å |
| 105 | D | 71.7 | Confident | 71.3 | Confident | 94 Ų | 94 | 80.1 Ų | 80.1 | 50% | 0.503 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 174.8 | -79.5 | -15.4 | 0 | 0 | 0 | 111.4 | G101 S109 | G101-D105 PolarHBondContact O-N 3.46Å; D105-S109 VanDerWaalsContact O-CB 3.23Å; D105-S109 WeakPolarHBondContact O-CB 3.23Å; D105-S109 PolarHBondContact O-N 2.88Å |
| 106 | Y | 72.4 | Confident | 70.4 | Confident | 151 Ų | 151 | 83.1 Ų | 83.1 | 59% | 0.592 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.4 | -49.3 | 174.5 | -178.5 | -105.8 | 0 | 0 | 0 | 111.3 | P102 L103 L104 S109 I110 | P102-Y106 PolarHBondContact O-N 2.94Å; L103-Y106 WeakPolarHBondContact O-CB 3.4Å; L103-Y106 PolarHBondContact O-N 3.09Å; L104-Y106 VanDerWaalsContact C-N 3.3Å; L104-Y106 PolarHBondContact O-N 3.15Å; Y106-S109 WeakPolarHBondContact O-CB 3.25Å; Y106-S109 PolarHBondContact O-N 2.74Å; Y106-S109 VanDerWaalsContact O-N 3.15Å; Y106-S109 PolarHBondContact O-OG 2.69Å; Y106-I110 HydrophobicContact CD1-CD1 4.01Å; Y106-I110 HydrophobicContact CE1-CD1 3.64Å; Y106-I110 HydrophobicContact CE1-CG1 4.47Å; Y106-I110 WeakPolarHBondContact O-CG1 3.18Å; Y106-I110 PolarHBondContact O-N 3.33Å; Y106-I110 VanDerWaalsContact O-N 3.1Å |
| 107 | I | 72.3 | Confident | 69.7 | Low | 103 Ų | 103 | 88 Ų | 88 | 53% | 0.528 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 179.9 | -65.5 | 165.9 | 0 | 0 | 0 | 111.3 | L103 L104 S109 I110 | L103-I107 HydrophobicContact CG-CD1 4.45Å; L103-I107 WeakPolarHBondContact O-CG1 3.4Å; L103-I107 PolarHBondContact O-N 3.41Å; L104-I107 PolarHBondContact O-N 2.8Å; I107-S109 VanDerWaalsContact C-N 3.26Å; I107-S109 PolarHBondContact O-N 3.15Å; I107-I110 WeakPolarHBondContact O-CA 3.39Å; I107-I110 WeakPolarHBondContact O-CB 3.49Å; I107-I110 PolarHBondContact O-N 3.41Å; I107-I110 VanDerWaalsContact O-N 3.09Å |
| 108 | I | 70.6 | Confident | 69.2 | Low | 77 Ų | 77 | 94 Ų | 94 | 40% | 0.395 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.6 | -35.2 | 176.1 | -65 | 164.7 | 0 | 0 | 0 | 110.5 | L104 I110 N111 | L104-I108 HydrophobicContact CD2-CD1 3.91Å; L104-I108 HydrophobicContact CG-CD1 4.08Å; L104-I108 WeakPolarHBondContact O-CB 3.28Å; L104-I108 VanDerWaalsContact O-CG1 3.25Å; L104-I108 WeakPolarHBondContact O-CG1 3.46Å; L104-I108 PolarHBondContact O-N 2.88Å; I108-I110 PolarHBondContact O-N 3.49Å; I108-N111 PolarHBondContact O-N 3.09Å; I108-N111 PolarHBondContact O-ND2 3.43Å |
| 109 | S | 68.2 | Low | 68.9 | Low | 45 Ų | 45 | 96.6 Ų | 96.6 | 32% | 0.315 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -30.8 | 175.7 | 89.9 | 0 | 0 | 0 | 0 | 111.2 | D105 Y106 I107 N111 R114 | D105-S109 VanDerWaalsContact O-CB 3.23Å; D105-S109 WeakPolarHBondContact O-CB 3.23Å; D105-S109 PolarHBondContact O-N 2.88Å; Y106-S109 WeakPolarHBondContact O-CB 3.25Å; Y106-S109 PolarHBondContact O-N 2.74Å; Y106-S109 VanDerWaalsContact O-N 3.15Å; Y106-S109 PolarHBondContact O-OG 2.69Å; I107-S109 VanDerWaalsContact C-N 3.26Å; I107-S109 PolarHBondContact O-N 3.15Å; S109-N111 PolarHBondContact O-N 3.21Å; S109-R114 PolarHBondContact O-NE 3.03Å; S109-R114 PolarHBondContact O-NH1 3.4Å; S109-R114 PolarHBondContact O-NH2 2.9Å; S109-R114 PolarHBondContact OG-NH1 3.18Å |
| 110 | I | 67.7 | Low | 69 | Low | 87 Ų | 87 | 98.9 Ų | 98.9 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | trans | -68 | 42.3 | 168.2 | -49.6 | 164.8 | 0 | 0 | 0 | 110.1 | Y106 I107 I108 P112 | Y106-I110 HydrophobicContact CD1-CD1 4.01Å; Y106-I110 HydrophobicContact CE1-CD1 3.64Å; Y106-I110 HydrophobicContact CE1-CG1 4.47Å; Y106-I110 WeakPolarHBondContact O-CG1 3.18Å; Y106-I110 PolarHBondContact O-N 3.33Å; Y106-I110 VanDerWaalsContact O-N 3.1Å; I107-I110 WeakPolarHBondContact O-CA 3.39Å; I107-I110 WeakPolarHBondContact O-CB 3.49Å; I107-I110 PolarHBondContact O-N 3.41Å; I107-I110 VanDerWaalsContact O-N 3.09Å; I108-I110 PolarHBondContact O-N 3.49Å; I110-P112 WeakPolarHBondContact O-CD 3.35Å | ||
| 111 | N | 62.8 | Low | 69.2 | Low | 94 Ų | 94 | 104.5 Ų | 104.5 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | trans | -59.4 | 114.3 | 157.6 | -106.5 | -42.7 | 0 | 0 | 0 | 107.8 | I108 S109 A113 R114 | I108-N111 PolarHBondContact O-N 3.09Å; I108-N111 PolarHBondContact O-ND2 3.43Å; S109-N111 PolarHBondContact O-N 3.21Å; N111-A113 HydrophobicContact CB-CB 4.33Å; N111-A113 PolarHBondContact O-N 2.99Å; N111-R114 PolarHBondContact O-N 2.84Å; N111-R114 VanDerWaalsContact O-N 3.15Å | ||
| 112 | P | 57.9 | Low | 69.5 | Low | 99 Ų | 99 | 108.1 Ų | 108.1 | 64% | 0.643 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -15 | 173.2 | 26.4 | -34.1 | 0 | 0 | 0 | 111.7 | I110 R114 R115 T116 | I110-P112 WeakPolarHBondContact O-CD 3.35Å; P112-R114 PolarHBondContact O-N 2.81Å; P112-R115 WeakPolarHBondContact O-CB 3.36Å; P112-R115 PolarHBondContact O-N 3.03Å; P112-T116 PolarHBondContact O-N 3.01Å |
| 113 | A | 59.8 | Low | 70.2 | Confident | 51 Ų | 51 | 107.1 Ų | 107.1 | 42% | 0.421 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -53 | -26 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N111 R115 T116 K117 | N111-A113 HydrophobicContact CB-CB 4.33Å; N111-A113 PolarHBondContact O-N 2.99Å; A113-R115 VanDerWaalsContact C-N 3.27Å; A113-R115 PolarHBondContact O-N 3.06Å; A113-T116 PolarHBondContact O-N 2.96Å; A113-K117 PolarHBondContact O-N 3.45Å |
| 114 | R | 59.6 | Low | 70.6 | Confident | 139 Ų | 139 | 108 Ų | 108 | 53% | 0.525 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.1 | -40.2 | 173.1 | -65 | -168.4 | -73.4 | -139.7 | 2.9 | 111.6 | S109 N111 P112 M118 | S109-R114 PolarHBondContact O-NE 3.03Å; S109-R114 PolarHBondContact O-NH1 3.4Å; S109-R114 PolarHBondContact O-NH2 2.9Å; S109-R114 PolarHBondContact OG-NH1 3.18Å; N111-R114 PolarHBondContact O-N 2.84Å; N111-R114 VanDerWaalsContact O-N 3.15Å; P112-R114 PolarHBondContact O-N 2.81Å; R114-M118 WeakPolarHBondContact O-CB 3.23Å; R114-M118 PolarHBondContact O-N 2.7Å |
| 115 | R | 59.1 | Low | 71 | Confident | 199 Ų | 199 | 108.8 Ų | 108.8 | 75% | 0.751 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.8 | -43.3 | 176.2 | -173.2 | -177.2 | -76.5 | -123.1 | 1.3 | 110.6 | P112 A113 M118 L119 | P112-R115 WeakPolarHBondContact O-CB 3.36Å; P112-R115 PolarHBondContact O-N 3.03Å; A113-R115 VanDerWaalsContact C-N 3.27Å; A113-R115 PolarHBondContact O-N 3.06Å; R115-M118 PolarHBondContact O-N 3.35Å; R115-L119 HydrophobicContact CG-CD1 4.09Å; R115-L119 VanDerWaalsContact O-CG 3.32Å; R115-L119 WeakPolarHBondContact O-CG 3.36Å; R115-L119 PolarHBondContact O-N 3.34Å |
| 116 | T | 64 | Low | 71.3 | Confident | 81 Ų | 81 | 111 Ų | 111 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68 | -42.4 | -179.9 | -25.7 | 0 | 0 | 0 | 0 | 112.3 | P112 A113 M118 L119 L120 | P112-T116 PolarHBondContact O-N 3.01Å; A113-T116 PolarHBondContact O-N 2.96Å; T116-M118 VanDerWaalsContact C-N 3.32Å; T116-M118 PolarHBondContact O-N 2.85Å; T116-L119 PolarHBondContact O-N 3.04Å; T116-L120 WeakPolarHBondContact O-CB 3.32Å; T116-L120 PolarHBondContact O-N 2.92Å |
| 117 | K | 68.2 | Low | 71 | Confident | 164 Ų | 164 | 112.3 Ų | 112.3 | 71% | 0.713 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -61.5 | -39.7 | 173.6 | -98.6 | -175.2 | 179.7 | -179.2 | 0 | 111.9 | A113 R121 | A113-K117 PolarHBondContact O-N 3.45Å; K117-R121 WeakPolarHBondContact O-CG 3.49Å; K117-R121 PolarHBondContact O-N 3.31Å |
| 118 | M | 73.2 | Confident | 70.9 | Confident | 132 Ų | 132 | 112.8 Ų | 112.8 | 65% | 0.65 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67 | -42 | 177.5 | -168 | 164.1 | -150.8 | 0 | 0 | 112.1 | R114 R115 T116 R121 I122 | R114-M118 WeakPolarHBondContact O-CB 3.23Å; R114-M118 PolarHBondContact O-N 2.7Å; R115-M118 PolarHBondContact O-N 3.35Å; T116-M118 VanDerWaalsContact C-N 3.32Å; T116-M118 PolarHBondContact O-N 2.85Å; M118-R121 PolarHBondContact O-N 3.22Å; M118-I122 HydrophobicContact CG-CD1 4.39Å; M118-I122 WeakPolarHBondContact O-CG1 3.5Å; M118-I122 PolarHBondContact O-N 3.36Å; M118-I122 VanDerWaalsContact O-N 3.09Å |
| 119 | L | 73.9 | Confident | 70.9 | Confident | 109 Ų | 109 | 114.6 Ų | 114.6 | 57% | 0.571 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.8 | -40.4 | 175.4 | -71.7 | 169 | 0 | 0 | 0 | 112.4 | R115 T116 I122 S123 | R115-L119 HydrophobicContact CG-CD1 4.09Å; R115-L119 VanDerWaalsContact O-CG 3.32Å; R115-L119 WeakPolarHBondContact O-CG 3.36Å; R115-L119 PolarHBondContact O-N 3.34Å; T116-L119 PolarHBondContact O-N 3.04Å; L119-I122 PolarHBondContact O-N 3.39Å; L119-S123 PolarHBondContact O-N 3.38Å |
| 120 | L | 78.9 | Confident | 71.1 | Confident | 106 Ų | 106 | 118.5 Ų | 118.5 | 56% | 0.555 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.9 | -42.6 | 174.6 | -82.5 | 168.1 | 0 | 0 | 0 | 112.1 | T116 I122 S123 E124 | T116-L120 WeakPolarHBondContact O-CB 3.32Å; T116-L120 PolarHBondContact O-N 2.92Å; L120-I122 VanDerWaalsContact C-N 3.28Å; L120-I122 PolarHBondContact O-N 3Å; L120-S123 WeakPolarHBondContact O-CB 3.35Å; L120-S123 PolarHBondContact O-N 3.35Å; L120-S123 VanDerWaalsContact O-N 3.11Å; L120-E124 WeakPolarHBondContact O-CG 3.39Å; L120-E124 PolarHBondContact O-N 3.11Å |
| 121 | R | 81.3 | Confident | 71.3 | Confident | 180 Ų | 180 | 120.4 Ų | 120.4 | 68% | 0.679 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.9 | -34 | 175 | -77.8 | -63 | -150.5 | 179.8 | 8.1 | 113.2 | K117 M118 E124 A125 | K117-R121 WeakPolarHBondContact O-CG 3.49Å; K117-R121 PolarHBondContact O-N 3.31Å; M118-R121 PolarHBondContact O-N 3.22Å; R121-E124 WeakPolarHBondContact CD-OE2 3.46Å; R121-E124 IonicContact NH1-OE2 3.33Å; R121-E124 PolarHBondContact NH1-OE2 3.09Å; R121-A125 WeakPolarHBondContact O-CB 3.43Å; R121-A125 PolarHBondContact O-N 3.47Å; R121-A125 VanDerWaalsContact O-N 3.08Å |
| 122 | I | 79.6 | Confident | 71.8 | Confident | 96 Ų | 96 | 122 Ų | 122 | 49% | 0.492 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71 | -35.4 | 174.6 | -68.4 | 166.4 | 0 | 0 | 0 | 110.9 | M118 L119 L120 A125 N126 | M118-I122 HydrophobicContact CG-CD1 4.39Å; M118-I122 WeakPolarHBondContact O-CG1 3.5Å; M118-I122 PolarHBondContact O-N 3.36Å; M118-I122 VanDerWaalsContact O-N 3.09Å; L119-I122 PolarHBondContact O-N 3.39Å; L120-I122 VanDerWaalsContact C-N 3.28Å; L120-I122 PolarHBondContact O-N 3Å; I122-A125 PolarHBondContact O-N 2.89Å; I122-N126 PolarHBondContact O-N 3.49Å |
| 123 | S | 86.4 | Confident | 72.8 | Confident | 75 Ų | 75 | 123.5 Ų | 123.5 | 52% | 0.524 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69 | -40.8 | 174.3 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | L119 L120 A125 N126 | L119-S123 PolarHBondContact O-N 3.38Å; L120-S123 WeakPolarHBondContact O-CB 3.35Å; L120-S123 PolarHBondContact O-N 3.35Å; L120-S123 VanDerWaalsContact O-N 3.11Å; S123-A125 VanDerWaalsContact C-N 3.29Å; S123-A125 PolarHBondContact O-N 3.08Å; S123-N126 PolarHBondContact O-N 3.33Å |
| 124 | E | 83.2 | Confident | 73.7 | Confident | 120 Ų | 120 | 128.7 Ų | 128.7 | 56% | 0.561 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.9 | -30.7 | 175 | -72.6 | 177.3 | 167.7 | 0 | 0 | 112.3 | L120 R121 N126 | L120-E124 WeakPolarHBondContact O-CG 3.39Å; L120-E124 PolarHBondContact O-N 3.11Å; R121-E124 WeakPolarHBondContact CD-OE2 3.46Å; R121-E124 IonicContact NH1-OE2 3.33Å; R121-E124 PolarHBondContact NH1-OE2 3.09Å; E124-N126 VanDerWaalsContact C-N 3.31Å |
| 125 | A | 80.5 | Confident | 74.8 | Confident | 83 Ų | 83 | 127.9 Ų | 127.9 | 69% | 0.686 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -10.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | R121 I122 S123 | R121-A125 WeakPolarHBondContact O-CB 3.43Å; R121-A125 PolarHBondContact O-N 3.47Å; R121-A125 VanDerWaalsContact O-N 3.08Å; I122-A125 PolarHBondContact O-N 2.89Å; S123-A125 VanDerWaalsContact C-N 3.29Å; S123-A125 PolarHBondContact O-N 3.08Å |
| 126 | N | 76.8 | Confident | 76.1 | Confident | 141 Ų | 141 | 122 Ų | 122 | 75% | 0.754 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 3.7 | -179.9 | -112.7 | -34.6 | 0 | 0 | 0 | 113.2 | I122 S123 E124 | I122-N126 PolarHBondContact O-N 3.49Å; S123-N126 PolarHBondContact O-N 3.33Å; E124-N126 VanDerWaalsContact C-N 3.31Å |
| 127 | V | 66.8 | Low | 77.2 | Confident | 177 Ų | 177 | 125.7 Ų | 125.7 | 100% | 1.073 | 66% | 0.66 | S | S | * | * | trans | -118 | 0 | 174.1 | -179.7 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 127 of 127 residues in 25.4 ms
(Link to these results)