| 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 | 50.7 | Low | 50.7 | Low | 241 Ų | 241 | 123.1 Ų | 123.1 | 100% | 1.187 | 66% | 0.659 | S | S | * | * | 0 | 72.3 | 0 | -76.3 | -171 | 160 | 0 | 0 | 110.8 | |||||
| 2 | T | 49.1 | Very low | 50.7 | Low | 102 Ų | 102 | 116.8 Ų | 116.8 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | trans | -142.4 | -5.3 | -179 | 46.4 | 0 | 0 | 0 | 0 | 113.7 | T5 Y6 | T2-T5 PolarHBondContact O-OG1 3.39Å; T2-Y6 WeakPolarHBondContact O-CD2 3.35Å; T2-Y6 WeakPolarHBondContact O-CE2 3.35Å | ||
| 3 | C | 46.1 | Very low | 50.7 | Low | 115 Ų | 115 | 114.8 Ų | 114.8 | 78% | 0.777 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -79.5 | -18.3 | -177.6 | -157 | 0 | 0 | 0 | 0 | 113.3 | ||
| 4 | Q | 48.3 | Very low | 50.6 | Low | 168 Ų | 168 | 114 Ų | 114 | 79% | 0.785 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -85.5 | -21.6 | -172.9 | -150.2 | 167.4 | -4.5 | 0 | 0 | 113.3 | ||
| 5 | T | 50.4 | Low | 50.3 | Low | 84 Ų | 84 | 109.4 Ų | 109.4 | 52% | 0.515 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -83.6 | -32.5 | -179.6 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | T2 S7 L8 L9 | T2-T5 PolarHBondContact O-OG1 3.39Å; T5-S7 VanDerWaalsContact C-N 3.35Å; T5-S7 PolarHBondContact O-N 3.33Å; T5-L8 PolarHBondContact O-N 3.14Å; T5-L9 WeakPolarHBondContact O-CG 3.33Å; T5-L9 PolarHBondContact O-N 2.98Å |
| 6 | Y | 49.5 | Very low | 50.2 | Low | 162 Ų | 162 | 110.1 Ų | 110.1 | 64% | 0.635 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.8 | -33.8 | 177.5 | -69.2 | -76.5 | 0 | 0 | 0 | 112.6 | T2 L8 L9 V10 | T2-Y6 WeakPolarHBondContact O-CD2 3.35Å; T2-Y6 WeakPolarHBondContact O-CE2 3.35Å; Y6-L8 PolarHBondContact O-N 3.24Å; Y6-L9 PolarHBondContact O-N 3.26Å; Y6-V10 VanDerWaalsContact O-CG2 3.27Å; Y6-V10 WeakPolarHBondContact O-CG2 3.43Å; Y6-V10 PolarHBondContact O-N 3.23Å |
| 7 | S | 51.8 | Low | 49.8 | Very low | 72 Ų | 72 | 114.9 Ų | 114.9 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.6 | -39.6 | 177.5 | -175 | 0 | 0 | 0 | 0 | 112.4 | T5 L11 | T5-S7 VanDerWaalsContact C-N 3.35Å; T5-S7 PolarHBondContact O-N 3.33Å; S7-L11 PolarHBondContact O-N 2.71Å; S7-L11 VanDerWaalsContact O-N 3.11Å |
| 8 | L | 52.5 | Low | 49.5 | Very low | 121 Ų | 121 | 118.6 Ų | 118.6 | 63% | 0.634 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.5 | -34.8 | 177.7 | -67.6 | 173.6 | 0 | 0 | 0 | 112.7 | T5 Y6 S12 | T5-L8 PolarHBondContact O-N 3.14Å; Y6-L8 PolarHBondContact O-N 3.24Å; L8-S12 PolarHBondContact O-N 3.44Å |
| 9 | L | 54.2 | Low | 48.9 | Very low | 100 Ų | 100 | 115.6 Ų | 115.6 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -73.5 | -34.2 | 177.1 | -68.8 | 172.3 | 0 | 0 | 0 | 112.4 | T5 Y6 S12 I13 | T5-L9 WeakPolarHBondContact O-CG 3.33Å; T5-L9 PolarHBondContact O-N 2.98Å; Y6-L9 PolarHBondContact O-N 3.26Å; L9-S12 PolarHBondContact O-N 3.31Å; L9-S12 PolarHBondContact O-OG 3.47Å; L9-I13 WeakPolarHBondContact O-CD1 3.25Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 3.32Å; L9-I13 VanDerWaalsContact O-N 3.08Å |
| 10 | V | 54.1 | Low | 48.7 | Very low | 85 Ų | 85 | 118.2 Ų | 118.2 | 52% | 0.515 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.4 | -38.4 | 174.9 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | Y6 I13 I14 | Y6-V10 VanDerWaalsContact O-CG2 3.27Å; Y6-V10 WeakPolarHBondContact O-CG2 3.43Å; Y6-V10 PolarHBondContact O-N 3.23Å; V10-I13 PolarHBondContact O-N 3.33Å; V10-I14 HydrophobicContact CG1-CD1 3.97Å; V10-I14 VanDerWaalsContact O-CG1 3.29Å; V10-I14 WeakPolarHBondContact O-CG1 3.49Å; V10-I14 PolarHBondContact O-N 3.01Å |
| 11 | L | 50.5 | Low | 48.6 | Very low | 104 Ų | 104 | 117.4 Ų | 117.4 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.9 | -39.8 | 173.1 | -82.9 | 160.8 | 0 | 0 | 0 | 112.4 | S7 I14 T15 | S7-L11 PolarHBondContact O-N 2.71Å; S7-L11 VanDerWaalsContact O-N 3.11Å; L11-I14 PolarHBondContact O-N 2.97Å; L11-T15 WeakPolarHBondContact O-CG2 3.32Å; L11-T15 PolarHBondContact O-N 2.78Å; L11-T15 VanDerWaalsContact O-N 3.17Å; L11-T15 PolarHBondContact O-OG1 3.13Å |
| 12 | S | 50.7 | Low | 48.3 | Very low | 47 Ų | 47 | 108 Ų | 108 | 33% | 0.329 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.4 | -38.1 | 177.1 | 71.7 | 0 | 0 | 0 | 0 | 112.1 | L8 L9 T15 I16 | L8-S12 PolarHBondContact O-N 3.44Å; L9-S12 PolarHBondContact O-N 3.31Å; L9-S12 PolarHBondContact O-OG 3.47Å; S12-T15 WeakPolarHBondContact CA-OG1 3.5Å; S12-T15 PolarHBondContact O-N 3.24Å; S12-T15 PolarHBondContact O-OG1 2.8Å; S12-I16 WeakPolarHBondContact O-CD1 3.43Å; S12-I16 VanDerWaalsContact O-CG1 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.25Å; S12-I16 PolarHBondContact O-N 3.29Å |
| 13 | I | 50.7 | Low | 48.4 | Very low | 92 Ų | 92 | 105.4 Ų | 105.4 | 47% | 0.472 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.6 | -36.4 | 178.4 | -65.8 | 165.2 | 0 | 0 | 0 | 111.8 | L9 V10 T15 I16 Y17 | L9-I13 WeakPolarHBondContact O-CD1 3.25Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 3.32Å; L9-I13 VanDerWaalsContact O-N 3.08Å; V10-I13 PolarHBondContact O-N 3.33Å; I13-T15 VanDerWaalsContact C-N 3.29Å; I13-T15 PolarHBondContact O-N 3.35Å; I13-I16 PolarHBondContact O-N 3.47Å; I13-I16 VanDerWaalsContact O-N 3.1Å; I13-Y17 HydrophobicContact CG2-CD2 4.08Å; I13-Y17 HydrophobicContact CG2-CE2 4.18Å; I13-Y17 PolarHBondContact O-N 3.41Å |
| 14 | I | 49.6 | Very low | 48.8 | Very low | 103 Ų | 103 | 103.5 Ų | 103.5 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 174 | -65.8 | 165.6 | 0 | 0 | 0 | 110.8 | V10 L11 I16 Y17 F18 | V10-I14 HydrophobicContact CG1-CD1 3.97Å; V10-I14 VanDerWaalsContact O-CG1 3.29Å; V10-I14 WeakPolarHBondContact O-CG1 3.49Å; V10-I14 PolarHBondContact O-N 3.01Å; L11-I14 PolarHBondContact O-N 2.97Å; I14-I16 PolarHBondContact O-N 2.91Å; I14-Y17 PolarHBondContact O-N 3.44Å; I14-F18 PolarHBondContact O-N 2.73Å |
| 15 | T | 46.1 | Very low | 49.1 | Very low | 45 Ų | 45 | 101 Ų | 101 | 28% | 0.276 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72.1 | -13.2 | 173.5 | 58.2 | 0 | 0 | 0 | 0 | 114.8 | L11 S12 I13 | L11-T15 WeakPolarHBondContact O-CG2 3.32Å; L11-T15 PolarHBondContact O-N 2.78Å; L11-T15 VanDerWaalsContact O-N 3.17Å; L11-T15 PolarHBondContact O-OG1 3.13Å; S12-T15 WeakPolarHBondContact CA-OG1 3.5Å; S12-T15 PolarHBondContact O-N 3.24Å; S12-T15 PolarHBondContact O-OG1 2.8Å; I13-T15 VanDerWaalsContact C-N 3.29Å; I13-T15 PolarHBondContact O-N 3.35Å |
| 16 | I | 49.2 | Very low | 49.7 | Very low | 120 Ų | 120 | 99.1 Ų | 99.1 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -91.9 | -29.9 | 177.9 | -66.8 | 164.4 | 0 | 0 | 0 | 110.9 | S12 I13 I14 | S12-I16 WeakPolarHBondContact O-CD1 3.43Å; S12-I16 VanDerWaalsContact O-CG1 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.25Å; S12-I16 PolarHBondContact O-N 3.29Å; I13-I16 PolarHBondContact O-N 3.47Å; I13-I16 VanDerWaalsContact O-N 3.1Å; I14-I16 PolarHBondContact O-N 2.91Å |
| 17 | Y | 43.2 | Very low | 50.6 | Low | 193 Ų | 193 | 96 Ų | 96 | 76% | 0.757 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -80.1 | -32 | 179.8 | -92.8 | -87 | 0 | 0 | 0 | 114 | I13 I14 G19 | I13-Y17 HydrophobicContact CG2-CD2 4.08Å; I13-Y17 HydrophobicContact CG2-CE2 4.18Å; I13-Y17 PolarHBondContact O-N 3.41Å; I14-Y17 PolarHBondContact O-N 3.44Å; Y17-G19 PolarHBondContact O-N 2.73Å |
| 18 | F | 43.5 | Very low | 51.5 | Low | 180 Ų | 180 | 95.8 Ų | 95.8 | 79% | 0.789 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 89.4 | 157.4 | -86.3 | -93.3 | 0 | 0 | 0 | 106.7 | I14 R20 | I14-F18 PolarHBondContact O-N 2.73Å; F18-R20 VanDerWaalsContact C-N 3.32Å; F18-R20 WeakPolarHBondContact O-CA 3.48Å; F18-R20 PolarHBondContact O-N 2.87Å |
| 19 | G | 39.3 | Very low | 52.7 | Low | 63 Ų | 63 | 95.3 Ų | 95.3 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.5 | 101.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y17 F21 | Y17-G19 PolarHBondContact O-N 2.73Å; G19-F21 PolarHBondContact O-N 2.82Å |
| 20 | R | 44.4 | Very low | 54.3 | Low | 167 Ų | 167 | 91.3 Ų | 91.3 | 63% | 0.63 | 50% | 0.497 | S | S | * | . | trans | -66.7 | 87.5 | -175.3 | -141.6 | -176.3 | -163.2 | -167.4 | 3.6 | 104.6 | F18 G22 | F18-R20 VanDerWaalsContact C-N 3.32Å; F18-R20 WeakPolarHBondContact O-CA 3.48Å; F18-R20 PolarHBondContact O-N 2.87Å; R20-G22 PolarHBondContact O-N 2.85Å; R20-G22 VanDerWaalsContact O-N 3.08Å | ||
| 21 | F | 46.3 | Very low | 56 | Low | 101 Ų | 101 | 90.8 Ų | 90.8 | 44% | 0.443 | 49% | 0.489 | S | S | . | . | trans | -47.2 | 120.7 | 157.6 | -146.5 | -74.1 | 0 | 0 | 0 | 103.1 | G19 S23 L103 | G19-F21 PolarHBondContact O-N 2.82Å; F21-S23 VanDerWaalsContact CB-OG 3.26Å; F21-S23 WeakPolarHBondContact CB-OG 3.44Å; F21-S23 WeakPolarHBondContact CD1-OG 3.48Å; F21-S23 PolarHBondContact O-N 2.83Å; F21-S23 PolarHBondContact O-OG 3Å; F21-L103 HydrophobicContact CE1-CD2 4.02Å | ||
| 22 | G | 45.2 | Very low | 58 | Low | 45 Ų | 45 | 91.4 Ų | 91.4 | 46% | 0.464 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 8.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R20 I26 | R20-G22 PolarHBondContact O-N 2.85Å; R20-G22 VanDerWaalsContact O-N 3.08Å; G22-I26 VanDerWaalsContact O-CD1 3.29Å; G22-I26 WeakPolarHBondContact O-CD1 3.37Å; G22-I26 VanDerWaalsContact O-CG1 3.23Å; G22-I26 WeakPolarHBondContact O-CG1 3.29Å; G22-I26 PolarHBondContact O-N 2.88Å |
| 23 | S | 51.8 | Low | 60 | Low | 46 Ų | 46 | 90.2 Ų | 90.2 | 32% | 0.322 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.2 | -22 | -172.6 | 40.1 | 0 | 0 | 0 | 0 | 115.6 | F21 L27 | F21-S23 VanDerWaalsContact CB-OG 3.26Å; F21-S23 WeakPolarHBondContact CB-OG 3.44Å; F21-S23 WeakPolarHBondContact CD1-OG 3.48Å; F21-S23 PolarHBondContact O-N 2.83Å; F21-S23 PolarHBondContact O-OG 3Å; S23-L27 WeakPolarHBondContact O-CB 3.48Å; S23-L27 PolarHBondContact O-N 2.88Å |
| 24 | S | 53.5 | Low | 62 | Low | 75 Ų | 75 | 87.9 Ų | 87.9 | 52% | 0.524 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.2 | -36.7 | 178.5 | 73.8 | 0 | 0 | 0 | 0 | 112.2 | A28 | S24-A28 WeakPolarHBondContact O-CB 3.27Å; S24-A28 PolarHBondContact O-N 3.34Å |
| 25 | L | 54.2 | Low | 64.2 | Low | 116 Ų | 116 | 86.1 Ų | 86.1 | 61% | 0.607 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -76.2 | -42.2 | 175.5 | -78.8 | 158.4 | 0 | 0 | 0 | 111 | A28 N29 | L25-A28 PolarHBondContact O-N 3.06Å; L25-N29 WeakPolarHBondContact O-CB 3.35Å; L25-N29 PolarHBondContact O-N 3.02Å; L25-N29 VanDerWaalsContact O-N 3.09Å; L25-N29 PolarHBondContact O-ND2 2.86Å |
| 26 | I | 62.8 | Low | 66.5 | Low | 45 Ų | 45 | 89.2 Ų | 89.2 | 23% | 0.231 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 176.2 | -64.3 | 164.4 | 0 | 0 | 0 | 110.8 | G22 A28 N29 L30 E99 | G22-I26 VanDerWaalsContact O-CD1 3.29Å; G22-I26 WeakPolarHBondContact O-CD1 3.37Å; G22-I26 VanDerWaalsContact O-CG1 3.23Å; G22-I26 WeakPolarHBondContact O-CG1 3.29Å; G22-I26 PolarHBondContact O-N 2.88Å; I26-A28 PolarHBondContact O-N 3.35Å; I26-N29 PolarHBondContact O-N 2.77Å; I26-L30 VanDerWaalsContact O-CB 3.3Å; I26-L30 WeakPolarHBondContact O-CB 3.38Å; I26-L30 PolarHBondContact O-N 3.02Å; I26-E99 HydrophobicContact CG2-CG 4.36Å; I26-E99 VanDerWaalsContact CG2-OE2 3.28Å; I26-E99 WeakPolarHBondContact CG2-OE2 3.35Å |
| 27 | L | 68.3 | Low | 68.6 | Low | 97 Ų | 97 | 84.5 Ų | 84.5 | 51% | 0.508 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.5 | -40.3 | -178.5 | -174.5 | 64 | 0 | 0 | 0 | 112.2 | S23 N29 L30 Q31 I34 | S23-L27 WeakPolarHBondContact O-CB 3.48Å; S23-L27 PolarHBondContact O-N 2.88Å; L27-N29 VanDerWaalsContact C-N 3.29Å; L27-N29 PolarHBondContact O-N 3.05Å; L27-L30 PolarHBondContact O-N 2.93Å; L27-Q31 PolarHBondContact O-N 3.22Å; L27-I34 HydrophobicContact CD1-CD1 4.15Å |
| 28 | A | 72 | Confident | 71.1 | Confident | 67 Ų | 67 | 79.6 Ų | 79.6 | 55% | 0.554 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -62.8 | -38.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S24 L25 I26 L30 | S24-A28 WeakPolarHBondContact O-CB 3.27Å; S24-A28 PolarHBondContact O-N 3.34Å; L25-A28 PolarHBondContact O-N 3.06Å; I26-A28 PolarHBondContact O-N 3.35Å; A28-L30 VanDerWaalsContact C-N 3.33Å |
| 29 | N | 77.1 | Confident | 73.5 | Confident | 111 Ų | 111 | 74.1 Ų | 74.1 | 59% | 0.594 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -72.4 | -27.6 | 176.9 | -68.5 | -13.4 | 0 | 0 | 0 | 112.7 | L25 I26 L27 | L25-N29 WeakPolarHBondContact O-CB 3.35Å; L25-N29 PolarHBondContact O-N 3.02Å; L25-N29 VanDerWaalsContact O-N 3.09Å; L25-N29 PolarHBondContact O-ND2 2.86Å; I26-N29 PolarHBondContact O-N 2.77Å; L27-N29 VanDerWaalsContact C-N 3.29Å; L27-N29 PolarHBondContact O-N 3.05Å |
| 30 | L | 87.2 | Confident | 76 | Confident | 15 Ų | 15 | 74.9 Ų | 74.9 | 8% | 0.079 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -91.2 | -12.6 | -177.4 | -154.4 | 64.5 | 0 | 0 | 0 | 113.9 | I26 L27 A28 N32 D33 I34 I96 E99 | I26-L30 VanDerWaalsContact O-CB 3.3Å; I26-L30 WeakPolarHBondContact O-CB 3.38Å; I26-L30 PolarHBondContact O-N 3.02Å; L27-L30 PolarHBondContact O-N 2.93Å; A28-L30 VanDerWaalsContact C-N 3.33Å; L30-N32 VanDerWaalsContact C-N 3.34Å; L30-N32 PolarHBondContact O-N 3.33Å; L30-D33 HydrophobicContact CD1-CB 4.3Å; L30-D33 PolarHBondContact O-N 3.18Å; L30-I34 HydrophobicContact CB-CD1 4.14Å; L30-I34 HydrophobicContact CD2-CD1 4Å; L30-I34 HydrophobicContact CD2-CG1 4.24Å; L30-I34 HydrophobicContact CG-CD1 4Å; L30-I34 HydrophobicContact CG-CG1 4.03Å; L30-I34 WeakPolarHBondContact O-CG1 3.33Å; L30-I34 PolarHBondContact O-N 3.43Å; L30-I96 HydrophobicContact CD1-CB 4.33Å; L30-I96 HydrophobicContact CD1-CG1 3.58Å; L30-I96 HydrophobicContact CD2-CG1 4.11Å; L30-I96 HydrophobicContact CD2-CG2 4.49Å; L30-I96 HydrophobicContact CG-CG1 3.87Å; L30-E99 HydrophobicContact CD1-CG 4.34Å |
| 31 | Q | 90 | Very high | 78.3 | Confident | 74 Ų | 74 | 71.8 Ų | 71.8 | 35% | 0.346 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -54 | -48.4 | -173.4 | -175.6 | 59.9 | 48.9 | 0 | 0 | 112.5 | L27 D33 I34 D35 | L27-Q31 PolarHBondContact O-N 3.22Å; Q31-D33 VanDerWaalsContact C-N 3.29Å; Q31-D33 PolarHBondContact O-N 2.88Å; Q31-I34 PolarHBondContact O-N 3.05Å; Q31-D35 VanDerWaalsContact NE2-CG 3.29Å; Q31-D35 PolarHBondContact NE2-OD1 3.48Å; Q31-D35 VanDerWaalsContact NE2-OD1 3.08Å; Q31-D35 PolarHBondContact NE2-OD2 3.11Å; Q31-D35 VanDerWaalsContact O-CG 3.28Å; Q31-D35 PolarHBondContact O-N 2.91Å |
| 32 | N | 92.4 | Very high | 80.6 | Confident | 118 Ų | 118 | 72.6 Ų | 72.6 | 63% | 0.631 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.2 | -37.2 | 179.6 | -70.2 | -28.2 | 0 | 0 | 0 | 112.6 | L30 D35 K36 | L30-N32 VanDerWaalsContact C-N 3.34Å; L30-N32 PolarHBondContact O-N 3.33Å; N32-D35 PolarHBondContact O-N 3.22Å; N32-K36 WeakPolarHBondContact O-CG 3.24Å; N32-K36 PolarHBondContact O-N 3.07Å; N32-K36 VanDerWaalsContact O-N 3.12Å |
| 33 | D | 93.1 | Very high | 82.8 | Confident | 22 Ų | 22 | 72.4 Ų | 72.4 | 12% | 0.118 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -75.5 | -36.9 | -179.8 | -71 | -25.2 | 0 | 0 | 0 | 111.4 | L30 Q31 D35 K36 L37 H92 H95 I96 | L30-D33 HydrophobicContact CD1-CB 4.3Å; L30-D33 PolarHBondContact O-N 3.18Å; Q31-D33 VanDerWaalsContact C-N 3.29Å; Q31-D33 PolarHBondContact O-N 2.88Å; D33-D35 VanDerWaalsContact C-N 3.32Å; D33-K36 PolarHBondContact O-N 3.36Å; D33-K36 IonicContact OD1-NZ 3.77Å; D33-L37 WeakPolarHBondContact O-CB 3.45Å; D33-L37 PolarHBondContact O-N 3.01Å; D33-H92 HydrophobicContact CB-CB 3.63Å; D33-H92 VanDerWaalsContact OD1-CB 3.3Å; D33-H92 WeakPolarHBondContact OD1-CB 3.41Å; D33-H95 IonicContact OD2-CE1 3.69Å; D33-H95 IonicContact OD2-CG 3.61Å; D33-H95 IonicContact OD2-ND1 2.69Å; D33-H95 PolarHBondContact OD2-ND1 3.22Å; D33-I96 HydrophobicContact CB-CD1 4.01Å; D33-I96 HydrophobicContact CB-CG1 4.03Å |
| 34 | I | 93.8 | Very high | 84.7 | Confident | 42 Ų | 42 | 75.9 Ų | 75.9 | 22% | 0.215 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 171.1 | -71.5 | 164.7 | 0 | 0 | 0 | 110.2 | L27 L30 Q31 K36 L37 K38 I96 | L27-I34 HydrophobicContact CD1-CD1 4.15Å; L30-I34 HydrophobicContact CB-CD1 4.14Å; L30-I34 HydrophobicContact CD2-CD1 4Å; L30-I34 HydrophobicContact CD2-CG1 4.24Å; L30-I34 HydrophobicContact CG-CD1 4Å; L30-I34 HydrophobicContact CG-CG1 4.03Å; L30-I34 WeakPolarHBondContact O-CG1 3.33Å; L30-I34 PolarHBondContact O-N 3.43Å; Q31-I34 PolarHBondContact O-N 3.05Å; I34-K36 PolarHBondContact O-N 3.37Å; I34-L37 WeakPolarHBondContact O-CB 3.45Å; I34-L37 PolarHBondContact O-N 3.01Å; I34-K38 HydrophobicContact CG2-CD 4.16Å; I34-K38 HydrophobicContact CG2-CG 4.26Å; I34-K38 WeakPolarHBondContact O-CB 3.23Å; I34-K38 VanDerWaalsContact O-CG 3.3Å; I34-K38 WeakPolarHBondContact O-CG 3.41Å; I34-K38 PolarHBondContact O-N 3.08Å; I34-I96 HydrophobicContact CG1-CD1 4.4Å |
| 35 | D | 94.4 | Very high | 86.6 | Confident | 66 Ų | 66 | 77.7 Ų | 77.7 | 35% | 0.353 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.8 | -34.6 | -178.4 | -67.5 | -28.6 | 0 | 0 | 0 | 112 | Q31 N32 D33 K38 A39 | Q31-D35 VanDerWaalsContact NE2-CG 3.29Å; Q31-D35 PolarHBondContact NE2-OD1 3.48Å; Q31-D35 VanDerWaalsContact NE2-OD1 3.08Å; Q31-D35 PolarHBondContact NE2-OD2 3.11Å; Q31-D35 VanDerWaalsContact O-CG 3.28Å; Q31-D35 PolarHBondContact O-N 2.91Å; N32-D35 PolarHBondContact O-N 3.22Å; D33-D35 VanDerWaalsContact C-N 3.32Å; D35-K38 PolarHBondContact O-N 2.87Å; D35-K38 IonicContact OD1-NZ 3.03Å; D35-K38 PolarHBondContact OD1-NZ 3.41Å; D35-A39 PolarHBondContact O-N 3.13Å; D35-A39 VanDerWaalsContact O-N 3.09Å |
| 36 | K | 94.8 | Very high | 88.3 | Confident | 111 Ų | 111 | 77 Ų | 77 | 48% | 0.483 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 167.8 | -71.6 | 170.9 | -173.9 | 168.1 | 0 | 111.8 | N32 D33 I34 K38 A39 E40 H92 | N32-K36 WeakPolarHBondContact O-CG 3.24Å; N32-K36 PolarHBondContact O-N 3.07Å; N32-K36 VanDerWaalsContact O-N 3.12Å; D33-K36 PolarHBondContact O-N 3.36Å; D33-K36 IonicContact OD1-NZ 3.77Å; I34-K36 PolarHBondContact O-N 3.37Å; K36-K38 VanDerWaalsContact C-N 3.33Å; K36-K38 PolarHBondContact O-N 3.43Å; K36-A39 WeakPolarHBondContact O-CB 3.3Å; K36-A39 PolarHBondContact O-N 2.81Å; K36-E40 WeakPolarHBondContact O-CG 3.29Å; K36-E40 PolarHBondContact O-N 3.18Å; K36-H92 HydrophobicContact CB-CB 4.4Å; K36-H92 HydrophobicContact CD-CB 4.06Å |
| 37 | L | 94.1 | Very high | 89.8 | Confident | 21 Ų | 21 | 79 Ų | 79 | 11% | 0.11 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61 | -43.3 | 178.4 | -170.4 | 69 | 0 | 0 | 0 | 111.2 | D33 I34 A39 E40 F41 L83 V93 I96 | D33-L37 WeakPolarHBondContact O-CB 3.45Å; D33-L37 PolarHBondContact O-N 3.01Å; I34-L37 WeakPolarHBondContact O-CB 3.45Å; I34-L37 PolarHBondContact O-N 3.01Å; L37-A39 VanDerWaalsContact C-N 3.29Å; L37-A39 PolarHBondContact O-N 3.44Å; L37-E40 PolarHBondContact O-N 3.28Å; L37-F41 HydrophobicContact CD1-CD2 3.84Å; L37-F41 HydrophobicContact CD1-CE2 3.55Å; L37-F41 HydrophobicContact CG-CD2 4.01Å; L37-F41 HydrophobicContact CG-CE2 4.11Å; L37-F41 WeakPolarHBondContact O-CD2 3.49Å; L37-F41 PolarHBondContact O-N 2.97Å; L37-L83 HydrophobicContact CD1-CD2 4.18Å; L37-L83 HydrophobicContact CD2-CD2 3.98Å; L37-V93 HydrophobicContact CD1-CG2 4.06Å; L37-I96 HydrophobicContact CB-CD1 4.07Å; L37-I96 HydrophobicContact CD2-CD1 3.8Å; L37-I96 HydrophobicContact CG-CD1 4.48Å |
| 38 | K | 94.4 | Very high | 90.8 | Very high | 89 Ų | 89 | 78.2 Ų | 78.2 | 39% | 0.387 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.9 | -40.7 | 175.2 | -80.4 | 178.2 | -173.6 | 160.8 | 0 | 112.7 | I34 D35 K36 N42 S43 | I34-K38 HydrophobicContact CG2-CD 4.16Å; I34-K38 HydrophobicContact CG2-CG 4.26Å; I34-K38 WeakPolarHBondContact O-CB 3.23Å; I34-K38 VanDerWaalsContact O-CG 3.3Å; I34-K38 WeakPolarHBondContact O-CG 3.41Å; I34-K38 PolarHBondContact O-N 3.08Å; D35-K38 PolarHBondContact O-N 2.87Å; D35-K38 IonicContact OD1-NZ 3.03Å; D35-K38 PolarHBondContact OD1-NZ 3.41Å; K36-K38 VanDerWaalsContact C-N 3.33Å; K36-K38 PolarHBondContact O-N 3.43Å; K38-N42 PolarHBondContact O-N 3.41Å; K38-S43 VanDerWaalsContact CA-OG 3.23Å; K38-S43 WeakPolarHBondContact CA-OG 3.21Å; K38-S43 WeakPolarHBondContact CB-OG 3.46Å; K38-S43 WeakPolarHBondContact CG-OG 3.43Å; K38-S43 PolarHBondContact O-N 3.48Å; K38-S43 PolarHBondContact O-OG 3.47Å |
| 39 | A | 94.2 | Very high | 91.6 | Very high | 66 Ų | 66 | 78.7 Ų | 78.7 | 55% | 0.545 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D35 K36 L37 F41 N42 | D35-A39 PolarHBondContact O-N 3.13Å; D35-A39 VanDerWaalsContact O-N 3.09Å; K36-A39 WeakPolarHBondContact O-CB 3.3Å; K36-A39 PolarHBondContact O-N 2.81Å; L37-A39 VanDerWaalsContact C-N 3.29Å; L37-A39 PolarHBondContact O-N 3.44Å; A39-F41 VanDerWaalsContact C-N 3.33Å; A39-F41 PolarHBondContact O-N 3.35Å; A39-N42 PolarHBondContact O-N 3.27Å; A39-N42 VanDerWaalsContact O-N 3.1Å; A39-N42 PolarHBondContact O-OD1 3.14Å |
| 40 | E | 92.7 | Very high | 92.3 | Very high | 78 Ų | 78 | 79.3 Ų | 79.3 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.9 | -36.8 | 178 | -69.7 | -172.9 | 160.3 | 0 | 0 | 113.3 | K36 L37 N42 K90 H92 | K36-E40 WeakPolarHBondContact O-CG 3.29Å; K36-E40 PolarHBondContact O-N 3.18Å; L37-E40 PolarHBondContact O-N 3.28Å; E40-N42 VanDerWaalsContact C-N 3.26Å; E40-N42 PolarHBondContact O-N 3.27Å; E40-K90 WeakPolarHBondContact OE1-CD 3.44Å; E40-K90 WeakPolarHBondContact OE1-CE 3.38Å; E40-K90 IonicContact OE1-NZ 3.28Å; E40-K90 PolarHBondContact OE1-NZ 2.77Å; E40-K90 IonicContact OE2-NZ 3Å; E40-K90 PolarHBondContact OE2-NZ 3.25Å; E40-H92 IonicContact OE1-CE1 3.74Å; E40-H92 PolarHBondContact OE1-CE1 3.21Å; E40-H92 IonicContact OE1-NE2 3.21Å; E40-H92 PolarHBondContact OE1-NE2 3.05Å; E40-H92 IonicContact OE2-CE1 2.72Å; E40-H92 IonicContact OE2-NE2 3.71Å; E40-H92 PolarHBondContact OE2-NE2 3.36Å |
| 41 | F | 92.3 | Very high | 92.3 | Very high | 102 Ų | 102 | 82.9 Ų | 82.9 | 45% | 0.447 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 2.2 | 176.3 | -82.2 | -96.6 | 0 | 0 | 0 | 113.4 | L37 A39 S43 T86 | L37-F41 HydrophobicContact CD1-CD2 3.84Å; L37-F41 HydrophobicContact CD1-CE2 3.55Å; L37-F41 HydrophobicContact CG-CD2 4.01Å; L37-F41 HydrophobicContact CG-CE2 4.11Å; L37-F41 WeakPolarHBondContact O-CD2 3.49Å; L37-F41 PolarHBondContact O-N 2.97Å; A39-F41 VanDerWaalsContact C-N 3.33Å; A39-F41 PolarHBondContact O-N 3.35Å; F41-S43 PolarHBondContact O-N 3.34Å; F41-S43 VanDerWaalsContact O-N 3.14Å; F41-T86 HydrophobicContact CE2-CG2 4.4Å |
| 42 | N | 93.5 | Very high | 92.3 | Very high | 118 Ų | 118 | 81 Ų | 81 | 63% | 0.631 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 36.8 | -173.7 | -67 | -39.7 | 0 | 0 | 0 | 113 | K38 A39 E40 S44 H45 | K38-N42 PolarHBondContact O-N 3.41Å; A39-N42 PolarHBondContact O-N 3.27Å; A39-N42 VanDerWaalsContact O-N 3.1Å; A39-N42 PolarHBondContact O-OD1 3.14Å; E40-N42 VanDerWaalsContact C-N 3.26Å; E40-N42 PolarHBondContact O-N 3.27Å; N42-S44 PolarHBondContact O-N 3.39Å; N42-H45 VanDerWaalsContact O-CB 3.25Å; N42-H45 WeakPolarHBondContact O-CB 3.12Å; N42-H45 PolarHBondContact O-N 3.32Å |
| 43 | S | 91.9 | Very high | 92.2 | Very high | 42 Ų | 42 | 78.5 Ų | 78.5 | 29% | 0.294 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -5 | -171.8 | 64 | 0 | 0 | 0 | 0 | 115.4 | K38 F41 V48 | K38-S43 VanDerWaalsContact CA-OG 3.23Å; K38-S43 WeakPolarHBondContact CA-OG 3.21Å; K38-S43 WeakPolarHBondContact CB-OG 3.46Å; K38-S43 WeakPolarHBondContact CG-OG 3.43Å; K38-S43 PolarHBondContact O-N 3.48Å; K38-S43 PolarHBondContact O-OG 3.47Å; F41-S43 PolarHBondContact O-N 3.34Å; F41-S43 VanDerWaalsContact O-N 3.14Å; S43-V48 WeakPolarHBondContact O-CG1 3.36Å |
| 44 | S | 91.8 | Very high | 92.2 | Very high | 118 Ų | 118 | 83.1 Ų | 83.1 | 83% | 0.825 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 2.2 | 172.8 | -55.4 | 0 | 0 | 0 | 0 | 113 | N42 | N42-S44 PolarHBondContact O-N 3.39Š|
| 45 | H | 94.2 | Very high | 92.1 | Very high | 114 Ų | 114 | 83.1 Ų | 83.1 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -66.2 | 149.8 | 176.1 | -166.7 | -95.3 | 0 | 0 | 0 | 110.5 | N42 D47 V48 | N42-H45 VanDerWaalsContact O-CB 3.25Å; N42-H45 WeakPolarHBondContact O-CB 3.12Å; N42-H45 PolarHBondContact O-N 3.32Å; H45-D47 VanDerWaalsContact C-N 3.26Å; H45-D47 WeakPolarHBondContact CB-OD1 3.19Å; H45-D47 IonicContact CE1-OD1 3.4Å; H45-D47 IonicContact CG-OD1 3.69Å; H45-D47 IonicContact ND1-OD1 3.05Å; H45-D47 PolarHBondContact ND1-OD1 2.85Å; H45-D47 IonicContact ND1-OD2 2.66Å; H45-D47 PolarHBondContact O-N 3.37Å; H45-V48 HydrophobicContact CB-CG2 4.35Å; H45-V48 WeakPolarHBondContact O-CB 3.15Å; H45-V48 WeakPolarHBondContact O-CG2 3.25Å; H45-V48 PolarHBondContact O-N 3.35Å |
| 46 | S | 90.3 | Very high | 91.9 | Very high | 100 Ų | 100 | 84.3 Ų | 84.3 | 70% | 0.699 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -66.7 | -27.2 | -168.3 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | V48 | S46-V48 VanDerWaalsContact C-N 3.26Å; S46-V48 PolarHBondContact O-N 3.28Å |
| 47 | D | 92.6 | Very high | 91.7 | Very high | 87 Ų | 87 | 84.2 Ų | 84.2 | 47% | 0.465 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -70.7 | -18.9 | 178 | 67.3 | -23.9 | 0 | 0 | 0 | 113.3 | H45 A49 D50 | H45-D47 VanDerWaalsContact C-N 3.26Å; H45-D47 WeakPolarHBondContact CB-OD1 3.19Å; H45-D47 IonicContact CE1-OD1 3.4Å; H45-D47 IonicContact CG-OD1 3.69Å; H45-D47 IonicContact ND1-OD1 3.05Å; H45-D47 PolarHBondContact ND1-OD1 2.85Å; H45-D47 IonicContact ND1-OD2 2.66Å; H45-D47 PolarHBondContact O-N 3.37Å; D47-A49 PolarHBondContact O-N 3.01Å; D47-D50 VanDerWaalsContact O-CB 3.27Å; D47-D50 WeakPolarHBondContact O-CB 3.37Å; D47-D50 PolarHBondContact O-N 3.11Å |
| 48 | V | 91.3 | Very high | 91.4 | Very high | 81 Ų | 81 | 89.9 Ų | 89.9 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -65.3 | -23.5 | -179 | 179.1 | 0 | 0 | 0 | 0 | 112 | S43 H45 S46 | S43-V48 WeakPolarHBondContact O-CG1 3.36Å; H45-V48 HydrophobicContact CB-CG2 4.35Å; H45-V48 WeakPolarHBondContact O-CB 3.15Å; H45-V48 WeakPolarHBondContact O-CG2 3.25Å; H45-V48 PolarHBondContact O-N 3.35Å; S46-V48 VanDerWaalsContact C-N 3.26Å; S46-V48 PolarHBondContact O-N 3.28Å |
| 49 | A | 88.1 | Confident | 91.1 | Very high | 78 Ų | 78 | 87.3 Ų | 87.3 | 65% | 0.645 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -82.5 | -13.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D47 G52 | D47-A49 PolarHBondContact O-N 3.01Å; A49-G52 PolarHBondContact O-N 3.45Å |
| 50 | D | 91.9 | Very high | 90.8 | Very high | 124 Ų | 124 | 91.4 Ų | 91.4 | 66% | 0.663 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 134.7 | -177.8 | -66.3 | -20.6 | 0 | 0 | 0 | 110.5 | D47 G52 | D47-D50 VanDerWaalsContact O-CB 3.27Å; D47-D50 WeakPolarHBondContact O-CB 3.37Å; D47-D50 PolarHBondContact O-N 3.11Å; D50-G52 PolarHBondContact O-N 2.98Å |
| 51 | G | 87.7 | Confident | 90.4 | Very high | 90 Ų | 90 | 94.4 Ų | 94.4 | 93% | 0.928 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 0.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 52 | G | 89.1 | Confident | 90.1 | Very high | 34 Ų | 34 | 93.3 Ų | 93.3 | 35% | 0.351 | 54% | 0.539 | S | S | . | . | trans | 77.9 | -179.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A49 D50 | A49-G52 PolarHBondContact O-N 3.45Å; D50-G52 PolarHBondContact O-N 2.98Å | ||
| 53 | P | 90.9 | Very high | 89.7 | Confident | 65 Ų | 65 | 93.8 Ų | 93.8 | 42% | 0.422 | 55% | 0.546 | S | S | . | . | trans | -75.1 | 133.3 | -173.1 | 30.2 | -35.2 | 0 | 0 | 0 | 113 | T56 E57 | P53-T56 WeakPolarHBondContact CB-OG1 3.17Å; P53-E57 HydrophobicContact CG-CB 3.71Å | ||
| 54 | I | 91.6 | Very high | 89.4 | Confident | 120 Ų | 120 | 96 Ų | 96 | 62% | 0.615 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -64.6 | -48.1 | -176.9 | -57.4 | 175.6 | 0 | 0 | 0 | 112.5 | K58 | I54-K58 WeakPolarHBondContact O-CD 3.4Å; I54-K58 WeakPolarHBondContact O-CE 3.4Å |
| 55 | F | 93 | Very high | 89 | Confident | 41 Ų | 41 | 99.2 Ų | 99.2 | 18% | 0.18 | 55% | 0.546 | C | S | . | . | S | Bend | trans | -110.8 | -41.7 | -171.3 | -57.4 | -59 | 0 | 0 | 0 | 114.1 | E57 K58 L59 I75 M78 Y79 | F55-E57 PolarHBondContact O-N 3.44Å; F55-K58 PolarHBondContact O-N 3.35Å; F55-L59 WeakPolarHBondContact O-CG 3.33Å; F55-L59 PolarHBondContact O-N 3.49Å; F55-I75 HydrophobicContact CB-CD1 4.19Å; F55-I75 HydrophobicContact CD1-CD1 4.11Å; F55-I75 HydrophobicContact CD1-CG1 3.81Å; F55-I75 HydrophobicContact CD1-CG2 4.21Å; F55-I75 HydrophobicContact CD2-CG2 4.29Å; F55-I75 HydrophobicContact CE1-CG1 4.21Å; F55-I75 HydrophobicContact CE1-CG2 4.42Å; F55-I75 HydrophobicContact CE2-CG2 4.5Å; F55-I75 HydrophobicContact CG-CD1 4.37Å; F55-I75 HydrophobicContact CG-CG1 4.38Å; F55-I75 HydrophobicContact CG-CG2 4.15Å; F55-M78 HydrophobicContact CE1-CE 3.95Å; F55-M78 HydrophobicContact CE1-SD 3.98Å; F55-M78 HydrophobicContact CZ-CE 4.1Å; F55-M78 HydrophobicContact CZ-SD 4.43Å; F55-Y79 HydrophobicContact CD2-CE2 4.24Å; F55-Y79 AromaticContact CD2-CZ 3.96Å; F55-Y79 WeakPolarHBondContact CD2-OH 3.48Å; F55-Y79 HydrophobicContact CE2-CE1 4.26Å; F55-Y79 HydrophobicContact CE2-CE2 4.11Å; F55-Y79 AromaticContact CE2-CZ 3.75Å |
| 56 | T | 90.5 | Very high | 88.4 | Confident | 92 Ų | 92 | 98 Ų | 98 | 56% | 0.564 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.6 | -34.7 | -166.3 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | P53 L59 K60 | P53-T56 WeakPolarHBondContact CB-OG1 3.17Å; T56-L59 PolarHBondContact O-N 3.43Å; T56-K60 PolarHBondContact O-N 3.48Å |
| 57 | E | 90.1 | Very high | 88.1 | Confident | 109 Ų | 109 | 97 Ų | 97 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.4 | -45.6 | 174 | 175.7 | 167.3 | -139 | 0 | 0 | 111.7 | P53 F55 L59 K60 | P53-E57 HydrophobicContact CG-CB 3.71Å; F55-E57 PolarHBondContact O-N 3.44Å; E57-L59 PolarHBondContact O-N 3.17Å; E57-K60 WeakPolarHBondContact O-CB 3.24Å; E57-K60 PolarHBondContact O-N 3.25Å |
| 58 | K | 87.8 | Confident | 87.9 | Confident | 139 Ų | 139 | 97.3 Ų | 97.3 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.2 | -38.2 | 176.9 | -60.2 | -177.5 | -168.8 | -66.1 | 0 | 111.2 | I54 F55 K60 W62 | I54-K58 WeakPolarHBondContact O-CD 3.4Å; I54-K58 WeakPolarHBondContact O-CE 3.4Å; F55-K58 PolarHBondContact O-N 3.35Å; K58-K60 VanDerWaalsContact C-N 3.28Å; K58-K60 PolarHBondContact O-N 3.07Å; K58-W62 PolarHBondContact O-NE1 3.03Å |
| 59 | L | 88.4 | Confident | 87.7 | Confident | 35 Ų | 35 | 97.8 Ų | 97.8 | 18% | 0.183 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -67.3 | -18.7 | 178.7 | -74.2 | 174.3 | 0 | 0 | 0 | 114.7 | F55 T56 E57 N61 W62 I71 L72 I75 | F55-L59 WeakPolarHBondContact O-CG 3.33Å; F55-L59 PolarHBondContact O-N 3.49Å; T56-L59 PolarHBondContact O-N 3.43Å; E57-L59 PolarHBondContact O-N 3.17Å; L59-N61 VanDerWaalsContact C-N 3.26Å; L59-N61 PolarHBondContact O-N 3.21Å; L59-W62 PolarHBondContact O-N 3.11Å; L59-I71 HydrophobicContact CD2-CG1 4.23Å; L59-I71 HydrophobicContact CD2-CG2 3.54Å; L59-L72 HydrophobicContact CD1-CD2 4.11Å; L59-L72 HydrophobicContact CD2-CD2 4.16Å; L59-L72 HydrophobicContact CD2-CG 4.45Å; L59-I75 HydrophobicContact CD1-CD1 3.95Å; L59-I75 HydrophobicContact CD2-CD1 3.84Å; L59-I75 HydrophobicContact CG-CD1 3.97Å |
| 60 | K | 88.1 | Confident | 87.6 | Confident | 152 Ų | 152 | 95.1 Ų | 95.1 | 66% | 0.661 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.4 | -33.2 | 179.4 | -69.2 | 177.7 | -179.1 | 173.6 | 0 | 112.5 | T56 E57 K58 W62 | T56-K60 PolarHBondContact O-N 3.48Å; E57-K60 WeakPolarHBondContact O-CB 3.24Å; E57-K60 PolarHBondContact O-N 3.25Å; K58-K60 VanDerWaalsContact C-N 3.28Å; K58-K60 PolarHBondContact O-N 3.07Å; K60-W62 VanDerWaalsContact C-N 3.3Å; K60-W62 PolarHBondContact O-N 3.1Å |
| 61 | N | 83.7 | Confident | 87.5 | Confident | 141 Ų | 141 | 90.8 Ų | 90.8 | 75% | 0.754 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -8.7 | -176.3 | -62.9 | -18.1 | 0 | 0 | 0 | 113.2 | L59 T63 | L59-N61 VanDerWaalsContact C-N 3.26Å; L59-N61 PolarHBondContact O-N 3.21Å; N61-T63 PolarHBondContact O-N 3.38Å |
| 62 | W | 86.8 | Confident | 87.6 | Confident | 80 Ų | 80 | 88.5 Ų | 88.5 | 30% | 0.303 | 44% | 0.435 | S | S | . | . | trans | -96.6 | 85.7 | -179.5 | -61.5 | 88.5 | 0 | 0 | 0 | 110.6 | K58 L59 K60 E67 K68 I71 | K58-W62 PolarHBondContact O-NE1 3.03Å; L59-W62 PolarHBondContact O-N 3.11Å; K60-W62 VanDerWaalsContact C-N 3.3Å; K60-W62 PolarHBondContact O-N 3.1Å; W62-E67 HydrophobicContact CE3-CB 3.6Å; W62-E67 HydrophobicContact CZ3-CB 3.91Å; W62-K68 HydrophobicContact CB-CB 4.37Å; W62-I71 HydrophobicContact CB-CG2 4.34Å; W62-I71 HydrophobicContact CD2-CB 4.33Å; W62-I71 HydrophobicContact CD2-CG2 4Å; W62-I71 HydrophobicContact CG-CG2 3.9Å; W62-I71 HydrophobicContact CZ2-CB 4.46Å; W62-I71 HydrophobicContact CZ2-CD1 4.48Å | ||
| 63 | T | 83.6 | Confident | 87.6 | Confident | 128 Ų | 128 | 87.2 Ų | 87.2 | 79% | 0.785 | 42% | 0.421 | S | S | * | . | trans | -87.1 | -30.5 | -175.9 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | N61 | N61-T63 PolarHBondContact O-N 3.38Š| ||
| 64 | E | 86.8 | Confident | 87.6 | Confident | 89 Ų | 89 | 86.6 Ų | 86.6 | 42% | 0.416 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -76.2 | 135.2 | -179.3 | -156.8 | -156.8 | 134.3 | 0 | 0 | 111.1 | N66 E67 K68 | E64-N66 VanDerWaalsContact C-N 3.31Å; E64-N66 PolarHBondContact O-N 3.49Å; E64-N66 PolarHBondContact OE1-ND2 3.38Å; E64-E67 HydrophobicContact CB-CB 4.2Å; E64-E67 HydrophobicContact CB-CG 3.83Å; E64-E67 WeakPolarHBondContact CB-OE2 3.43Å; E64-E67 PolarHBondContact O-N 3.44Å; E64-K68 VanDerWaalsContact O-CB 3.23Å; E64-K68 WeakPolarHBondContact O-CB 3.26Å; E64-K68 PolarHBondContact O-N 3.08Å |
| 65 | R | 81.8 | Confident | 87.6 | Confident | 185 Ų | 185 | 81.6 Ų | 81.6 | 70% | 0.698 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -55.5 | -44 | -177.9 | -177.6 | -175 | -68.4 | 138.5 | -2.8 | 112.6 | R69 | R65-R69 VanDerWaalsContact O-CG 3.3Å; R65-R69 WeakPolarHBondContact O-CG 3.36Å; R65-R69 PolarHBondContact O-N 3.28Å; R65-R69 VanDerWaalsContact O-N 3.11Å |
| 66 | N | 82.4 | Confident | 87.5 | Confident | 89 Ų | 89 | 80.4 Ų | 80.4 | 48% | 0.476 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.2 | -43.4 | -175.3 | -62.8 | -43.8 | 0 | 0 | 0 | 111.3 | E64 R69 I70 | E64-N66 VanDerWaalsContact C-N 3.31Å; E64-N66 PolarHBondContact O-N 3.49Å; E64-N66 PolarHBondContact OE1-ND2 3.38Å; N66-R69 PolarHBondContact O-N 3.46Å; N66-I70 WeakPolarHBondContact O-CG1 3.42Å; N66-I70 PolarHBondContact O-N 3.48Å |
| 67 | E | 84.5 | Confident | 87.6 | Confident | 77 Ų | 77 | 77 Ų | 77 | 36% | 0.36 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 176.4 | -54.4 | 179 | 146.5 | 0 | 0 | 111.4 | W62 E64 R69 I70 I71 | W62-E67 HydrophobicContact CE3-CB 3.6Å; W62-E67 HydrophobicContact CZ3-CB 3.91Å; E64-E67 HydrophobicContact CB-CB 4.2Å; E64-E67 HydrophobicContact CB-CG 3.83Å; E64-E67 WeakPolarHBondContact CB-OE2 3.43Å; E64-E67 PolarHBondContact O-N 3.44Å; E67-R69 PolarHBondContact O-N 3.4Å; E67-I70 WeakPolarHBondContact O-CB 3.4Å; E67-I70 PolarHBondContact O-N 3.3Å; E67-I71 PolarHBondContact O-N 3.31Å |
| 68 | K | 87.8 | Confident | 87.7 | Confident | 95 Ų | 95 | 75.8 Ų | 75.8 | 41% | 0.413 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.1 | -37.5 | 175.2 | -170.7 | 171.3 | -176.3 | 169.6 | 0 | 112.2 | W62 E64 I70 I71 L72 | W62-K68 HydrophobicContact CB-CB 4.37Å; E64-K68 VanDerWaalsContact O-CB 3.23Å; E64-K68 WeakPolarHBondContact O-CB 3.26Å; E64-K68 PolarHBondContact O-N 3.08Å; K68-I70 VanDerWaalsContact C-N 3.33Å; K68-I70 PolarHBondContact O-N 2.94Å; K68-I71 VanDerWaalsContact O-CG2 3.24Å; K68-I71 WeakPolarHBondContact O-CG2 3.23Å; K68-L72 HydrophobicContact CG-CD1 3.93Å; K68-L72 HydrophobicContact CG-CG 4.38Å; K68-L72 WeakPolarHBondContact O-CB 3.48Å; K68-L72 WeakPolarHBondContact O-CD1 3.43Å; K68-L72 WeakPolarHBondContact O-CG 3.39Å; K68-L72 PolarHBondContact O-N 3.43Å |
| 69 | R | 86.6 | Confident | 88 | Confident | 91 Ų | 91 | 73.7 Ų | 73.7 | 34% | 0.343 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.4 | -31.8 | 176.4 | -75.1 | 178.5 | 76.5 | 166 | 5.2 | 113.1 | R65 N66 E67 S73 S106 L107 P108 | R65-R69 VanDerWaalsContact O-CG 3.3Å; R65-R69 WeakPolarHBondContact O-CG 3.36Å; R65-R69 PolarHBondContact O-N 3.28Å; R65-R69 VanDerWaalsContact O-N 3.11Å; N66-R69 PolarHBondContact O-N 3.46Å; E67-R69 PolarHBondContact O-N 3.4Å; R69-S73 PolarHBondContact O-N 2.99Å; R69-S73 VanDerWaalsContact O-N 3.08Å; R69-S106 PolarHBondContact NH2-O 3.48Å; R69-L107 HydrophobicContact CB-CD2 4.15Å; R69-L107 HydrophobicContact CG-CD2 4.13Å; R69-P108 HydrophobicContact CB-CG 4.04Å |
| 70 | I | 87.7 | Confident | 88.2 | Confident | 21 Ų | 21 | 72.8 Ų | 72.8 | 11% | 0.108 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68 | -48.9 | 176.5 | -65.4 | 163.2 | 0 | 0 | 0 | 110.3 | N66 E67 K68 L72 S73 Q74 K113 | N66-I70 WeakPolarHBondContact O-CG1 3.42Å; N66-I70 PolarHBondContact O-N 3.48Å; E67-I70 WeakPolarHBondContact O-CB 3.4Å; E67-I70 PolarHBondContact O-N 3.3Å; K68-I70 VanDerWaalsContact C-N 3.33Å; K68-I70 PolarHBondContact O-N 2.94Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-L72 PolarHBondContact O-N 2.82Å; I70-S73 PolarHBondContact O-N 2.89Å; I70-S73 PolarHBondContact O-OG 3.42Å; I70-Q74 PolarHBondContact O-N 3.24Å; I70-K113 HydrophobicContact CD1-CB 4.19Å; I70-K113 HydrophobicContact CD1-CD 3.24Å; I70-K113 HydrophobicContact CD1-CG 4.36Å; I70-K113 HydrophobicContact CG1-CD 3.83Å; I70-K113 HydrophobicContact CG2-CB 4.4Å |
| 71 | I | 88.3 | Confident | 88.5 | Confident | 33 Ų | 33 | 71.4 Ų | 71.4 | 17% | 0.169 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.5 | -35.8 | -179.9 | -170.6 | 63.6 | 0 | 0 | 0 | 111.6 | L59 W62 E67 K68 S73 Q74 I75 | L59-I71 HydrophobicContact CD2-CG1 4.23Å; L59-I71 HydrophobicContact CD2-CG2 3.54Å; W62-I71 HydrophobicContact CB-CG2 4.34Å; W62-I71 HydrophobicContact CD2-CB 4.33Å; W62-I71 HydrophobicContact CD2-CG2 4Å; W62-I71 HydrophobicContact CG-CG2 3.9Å; W62-I71 HydrophobicContact CZ2-CB 4.46Å; W62-I71 HydrophobicContact CZ2-CD1 4.48Å; E67-I71 PolarHBondContact O-N 3.31Å; K68-I71 VanDerWaalsContact O-CG2 3.24Å; K68-I71 WeakPolarHBondContact O-CG2 3.23Å; I71-S73 PolarHBondContact O-N 2.99Å; I71-Q74 PolarHBondContact O-N 3.3Å; I71-I75 HydrophobicContact CG1-CD1 4.16Å; I71-I75 WeakPolarHBondContact O-CG1 3.34Å; I71-I75 PolarHBondContact O-N 3.43Å |
| 72 | L | 90.1 | Very high | 89 | Confident | 43 Ų | 43 | 68.2 Ų | 68.2 | 23% | 0.225 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 175.1 | -73.6 | 171.8 | 0 | 0 | 0 | 112.6 | L59 K68 I70 Q74 I75 V76 L107 | L59-L72 HydrophobicContact CD1-CD2 4.11Å; L59-L72 HydrophobicContact CD2-CD2 4.16Å; L59-L72 HydrophobicContact CD2-CG 4.45Å; K68-L72 HydrophobicContact CG-CD1 3.93Å; K68-L72 HydrophobicContact CG-CG 4.38Å; K68-L72 WeakPolarHBondContact O-CB 3.48Å; K68-L72 WeakPolarHBondContact O-CD1 3.43Å; K68-L72 WeakPolarHBondContact O-CG 3.39Å; K68-L72 PolarHBondContact O-N 3.43Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-L72 PolarHBondContact O-N 2.82Å; L72-Q74 PolarHBondContact O-N 3.12Å; L72-I75 PolarHBondContact O-N 2.9Å; L72-V76 WeakPolarHBondContact O-CB 3.27Å; L72-V76 VanDerWaalsContact O-CG2 3.28Å; L72-V76 WeakPolarHBondContact O-CG2 3.47Å; L72-V76 PolarHBondContact O-N 2.9Å; L72-L107 HydrophobicContact CB-CD1 4.35Å |
| 73 | S | 89.4 | Confident | 89.3 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.5 | -34.7 | 176.8 | 73.5 | 0 | 0 | 0 | 0 | 111.8 | R69 I70 I71 S77 P108 G110 | R69-S73 PolarHBondContact O-N 2.99Å; R69-S73 VanDerWaalsContact O-N 3.08Å; I70-S73 PolarHBondContact O-N 2.89Å; I70-S73 PolarHBondContact O-OG 3.42Å; I71-S73 PolarHBondContact O-N 2.99Å; S73-S77 PolarHBondContact O-N 3.03Å; S73-S77 VanDerWaalsContact O-N 3.16Å; S73-S77 PolarHBondContact O-OG 3.17Å; S73-P108 WeakPolarHBondContact CB-O 3.44Å; S73-P108 PolarHBondContact OG-O 3.48Å; S73-G110 WeakPolarHBondContact OG-CA 3.4Å; S73-G110 PolarHBondContact OG-N 3.34Å |
| 74 | Q | 90.1 | Very high | 89.6 | Confident | 52 Ų | 52 | 64.3 Ų | 64.3 | 24% | 0.243 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71.8 | -46.3 | 176.6 | -170 | 63.3 | 0.2 | 0 | 0 | 111.8 | I70 I71 L72 V76 S77 M78 | I70-Q74 PolarHBondContact O-N 3.24Å; I71-Q74 PolarHBondContact O-N 3.3Å; L72-Q74 PolarHBondContact O-N 3.12Å; Q74-V76 VanDerWaalsContact C-N 3.32Å; Q74-V76 PolarHBondContact O-N 3.09Å; Q74-S77 WeakPolarHBondContact O-CB 3.28Å; Q74-S77 PolarHBondContact O-N 3.47Å; Q74-S77 VanDerWaalsContact O-N 3.08Å; Q74-M78 WeakPolarHBondContact O-CG 3.41Å; Q74-M78 PolarHBondContact O-N 3.27Å |
| 75 | I | 91.8 | Very high | 89.7 | Confident | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.077 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 177.3 | -68 | 167.1 | 0 | 0 | 0 | 111 | F55 L59 I71 L72 S77 M78 Y79 | F55-I75 HydrophobicContact CB-CD1 4.19Å; F55-I75 HydrophobicContact CD1-CD1 4.11Å; F55-I75 HydrophobicContact CD1-CG1 3.81Å; F55-I75 HydrophobicContact CD1-CG2 4.21Å; F55-I75 HydrophobicContact CD2-CG2 4.29Å; F55-I75 HydrophobicContact CE1-CG1 4.21Å; F55-I75 HydrophobicContact CE1-CG2 4.42Å; F55-I75 HydrophobicContact CE2-CG2 4.5Å; F55-I75 HydrophobicContact CG-CD1 4.37Å; F55-I75 HydrophobicContact CG-CG1 4.38Å; F55-I75 HydrophobicContact CG-CG2 4.15Å; L59-I75 HydrophobicContact CD1-CD1 3.95Å; L59-I75 HydrophobicContact CD2-CD1 3.84Å; L59-I75 HydrophobicContact CG-CD1 3.97Å; I71-I75 HydrophobicContact CG1-CD1 4.16Å; I71-I75 WeakPolarHBondContact O-CG1 3.34Å; I71-I75 PolarHBondContact O-N 3.43Å; L72-I75 PolarHBondContact O-N 2.9Å; I75-S77 VanDerWaalsContact C-N 3.29Å; I75-S77 PolarHBondContact O-N 3.49Å; I75-M78 PolarHBondContact O-N 3.26Å; I75-Y79 HydrophobicContact CG2-CD2 3.75Å; I75-Y79 HydrophobicContact CG2-CE2 3.49Å; I75-Y79 VanDerWaalsContact CG2-CE2 3.49Å; I75-Y79 VanDerWaalsContact O-CD2 3.3Å; I75-Y79 WeakPolarHBondContact O-CD2 3.4Å; I75-Y79 PolarHBondContact O-N 2.73Å |
| 76 | V | 91.8 | Very high | 90 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -39 | 176 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | L72 Q74 Y79 L80 L100 K104 L107 | L72-V76 WeakPolarHBondContact O-CB 3.27Å; L72-V76 VanDerWaalsContact O-CG2 3.28Å; L72-V76 WeakPolarHBondContact O-CG2 3.47Å; L72-V76 PolarHBondContact O-N 2.9Å; Q74-V76 VanDerWaalsContact C-N 3.32Å; Q74-V76 PolarHBondContact O-N 3.09Å; V76-Y79 PolarHBondContact O-N 2.7Å; V76-L80 HydrophobicContact CG1-CD1 4.25Å; V76-L80 WeakPolarHBondContact O-CG 3.25Å; V76-L80 PolarHBondContact O-N 2.66Å; V76-L100 HydrophobicContact CG1-CB 4.3Å; V76-L100 HydrophobicContact CG1-CD2 4.23Å; V76-L100 VanDerWaalsContact CG1-O 3.27Å; V76-L100 WeakPolarHBondContact CG1-O 3.46Å; V76-K104 HydrophobicContact CG1-CB 3.82Å; V76-L107 HydrophobicContact CG2-CD1 4.17Å |
| 77 | S | 91.3 | Very high | 90.3 | Very high | 22 Ų | 22 | 59 Ų | 59 | 15% | 0.154 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 175.3 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | S73 Q74 I75 L80 E81 K104 | S73-S77 PolarHBondContact O-N 3.03Å; S73-S77 VanDerWaalsContact O-N 3.16Å; S73-S77 PolarHBondContact O-OG 3.17Å; Q74-S77 WeakPolarHBondContact O-CB 3.28Å; Q74-S77 PolarHBondContact O-N 3.47Å; Q74-S77 VanDerWaalsContact O-N 3.08Å; I75-S77 VanDerWaalsContact C-N 3.29Å; I75-S77 PolarHBondContact O-N 3.49Å; S77-L80 PolarHBondContact O-N 3.2Å; S77-E81 WeakPolarHBondContact O-CB 3.42Å; S77-E81 PolarHBondContact O-N 3.43Å; S77-K104 VanDerWaalsContact OG-CE 3.22Å; S77-K104 WeakPolarHBondContact OG-CE 3.49Å; S77-K104 PolarHBondContact OG-NZ 3.03Å |
| 78 | M | 93.1 | Very high | 90.3 | Very high | 83 Ų | 83 | 60.5 Ų | 60.5 | 41% | 0.409 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 175.5 | -65.4 | 175 | 70.2 | 0 | 0 | 112.2 | F55 Q74 I75 E81 M82 | F55-M78 HydrophobicContact CE1-CE 3.95Å; F55-M78 HydrophobicContact CE1-SD 3.98Å; F55-M78 HydrophobicContact CZ-CE 4.1Å; F55-M78 HydrophobicContact CZ-SD 4.43Å; Q74-M78 WeakPolarHBondContact O-CG 3.41Å; Q74-M78 PolarHBondContact O-N 3.27Å; I75-M78 PolarHBondContact O-N 3.26Å; M78-E81 PolarHBondContact O-N 3.26Å; M78-M82 WeakPolarHBondContact O-CB 3.11Å; M78-M82 PolarHBondContact O-N 3.2Å |
| 79 | Y | 94.3 | Very high | 90.2 | Very high | 95 Ų | 95 | 60.8 Ų | 60.8 | 37% | 0.373 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 173.7 | -80.5 | -62.6 | 0 | 0 | 0 | 112.1 | F55 I75 V76 E81 M82 L83 | F55-Y79 HydrophobicContact CD2-CE2 4.24Å; F55-Y79 AromaticContact CD2-CZ 3.96Å; F55-Y79 WeakPolarHBondContact CD2-OH 3.48Å; F55-Y79 HydrophobicContact CE2-CE1 4.26Å; F55-Y79 HydrophobicContact CE2-CE2 4.11Å; F55-Y79 AromaticContact CE2-CZ 3.75Å; I75-Y79 HydrophobicContact CG2-CD2 3.75Å; I75-Y79 HydrophobicContact CG2-CE2 3.49Å; I75-Y79 VanDerWaalsContact CG2-CE2 3.49Å; I75-Y79 VanDerWaalsContact O-CD2 3.3Å; I75-Y79 WeakPolarHBondContact O-CD2 3.4Å; I75-Y79 PolarHBondContact O-N 2.73Å; V76-Y79 PolarHBondContact O-N 2.7Å; Y79-E81 VanDerWaalsContact C-N 3.35Å; Y79-M82 HydrophobicContact CD1-CE 4.03Å; Y79-M82 HydrophobicContact CD1-SD 4.49Å; Y79-M82 WeakPolarHBondContact O-CB 3.45Å; Y79-M82 PolarHBondContact O-N 3.04Å; Y79-L83 VanDerWaalsContact O-CG 3.27Å; Y79-L83 WeakPolarHBondContact O-CG 3.25Å; Y79-L83 PolarHBondContact O-N 3.26Å |
| 80 | L | 93.3 | Very high | 90.4 | Very high | 15 Ų | 15 | 59.6 Ų | 59.6 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -45 | 175.7 | -74.6 | 167.1 | 0 | 0 | 0 | 111.4 | V76 S77 L83 E84 S97 L100 F101 K104 | V76-L80 HydrophobicContact CG1-CD1 4.25Å; V76-L80 WeakPolarHBondContact O-CG 3.25Å; V76-L80 PolarHBondContact O-N 2.66Å; S77-L80 PolarHBondContact O-N 3.2Å; L80-L83 CarbonylContact O-C 3.6Å; L80-L83 PolarHBondContact O-N 3.48Å; L80-E84 WeakPolarHBondContact O-CG 3.03Å; L80-E84 PolarHBondContact O-N 3.04Å; L80-S97 WeakPolarHBondContact CD2-O 3.44Å; L80-L100 HydrophobicContact CD2-CB 3.68Å; L80-L100 HydrophobicContact CG-CB 3.98Å; L80-F101 HydrophobicContact CD2-CB 4.46Å; L80-K104 HydrophobicContact CD1-CB 4.25Å; L80-K104 HydrophobicContact CD1-CD 3.58Å |
| 81 | E | 94.1 | Very high | 90.6 | Very high | 124 Ų | 124 | 61.2 Ų | 61.2 | 58% | 0.579 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.1 | -43 | 175.6 | -176.4 | -179.8 | 179.3 | 0 | 0 | 112.1 | S77 M78 Y79 L83 E84 | S77-E81 WeakPolarHBondContact O-CB 3.42Å; S77-E81 PolarHBondContact O-N 3.43Å; M78-E81 PolarHBondContact O-N 3.26Å; Y79-E81 VanDerWaalsContact C-N 3.35Å; E81-L83 VanDerWaalsContact C-N 3.29Å; E81-L83 PolarHBondContact O-N 3.18Å; E81-E84 WeakPolarHBondContact O-CB 3.42Å; E81-E84 PolarHBondContact O-N 3.27Å |
| 82 | M | 94.1 | Very high | 90.7 | Very high | 73 Ų | 73 | 60.5 Ų | 60.5 | 36% | 0.36 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 174.1 | -176.8 | -165 | 76.9 | 0 | 0 | 111.7 | M78 Y79 E84 T86 | M78-M82 WeakPolarHBondContact O-CB 3.11Å; M78-M82 PolarHBondContact O-N 3.2Å; Y79-M82 HydrophobicContact CD1-CE 4.03Å; Y79-M82 HydrophobicContact CD1-SD 4.49Å; Y79-M82 WeakPolarHBondContact O-CB 3.45Å; Y79-M82 PolarHBondContact O-N 3.04Å; M82-E84 VanDerWaalsContact C-N 3.32Å; M82-T86 PolarHBondContact O-OG1 3.32Å |
| 83 | L | 93.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -76.2 | -17.2 | -179.9 | -65.7 | 175.5 | 0 | 0 | 0 | 113.4 | L37 Y79 L80 E81 N85 T86 V93 I96 L100 | L37-L83 HydrophobicContact CD1-CD2 4.18Å; L37-L83 HydrophobicContact CD2-CD2 3.98Å; Y79-L83 VanDerWaalsContact O-CG 3.27Å; Y79-L83 WeakPolarHBondContact O-CG 3.25Å; Y79-L83 PolarHBondContact O-N 3.26Å; L80-L83 CarbonylContact O-C 3.6Å; L80-L83 PolarHBondContact O-N 3.48Å; E81-L83 VanDerWaalsContact C-N 3.29Å; E81-L83 PolarHBondContact O-N 3.18Å; L83-N85 PolarHBondContact O-N 2.86Å; L83-T86 PolarHBondContact O-N 3.25Å; L83-T86 VanDerWaalsContact O-N 3.13Å; L83-V93 HydrophobicContact CD2-CG1 4.35Å; L83-I96 HydrophobicContact CD1-CB 4.46Å; L83-I96 HydrophobicContact CD1-CG2 3.71Å; L83-L100 HydrophobicContact CD1-CD1 3.71Å |
| 84 | E | 90.4 | Very high | 91 | Very high | 124 Ų | 124 | 65.3 Ų | 65.3 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.5 | -34.2 | 174 | -79.5 | 177.8 | 179.5 | 0 | 0 | 112.5 | L80 E81 M82 T86 | L80-E84 WeakPolarHBondContact O-CG 3.03Å; L80-E84 PolarHBondContact O-N 3.04Å; E81-E84 WeakPolarHBondContact O-CB 3.42Å; E81-E84 PolarHBondContact O-N 3.27Å; M82-E84 VanDerWaalsContact C-N 3.32Å; E84-T86 VanDerWaalsContact C-N 3.3Å |
| 85 | N | 87.7 | Confident | 91.1 | Very high | 147 Ų | 147 | 65.6 Ų | 65.6 | 79% | 0.786 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -2.5 | 178.5 | -61.4 | -50.7 | 0 | 0 | 0 | 113.4 | L83 | L83-N85 PolarHBondContact O-N 2.86Š|
| 86 | T | 89.5 | Confident | 91.1 | Very high | 24 Ų | 24 | 65.3 Ų | 65.3 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -93.2 | 154 | 179.1 | -52.6 | 0 | 0 | 0 | 0 | 110.3 | F41 M82 L83 E84 K88 V93 | F41-T86 HydrophobicContact CE2-CG2 4.4Å; M82-T86 PolarHBondContact O-OG1 3.32Å; L83-T86 PolarHBondContact O-N 3.25Å; L83-T86 VanDerWaalsContact O-N 3.13Å; E84-T86 VanDerWaalsContact C-N 3.3Å; T86-K88 PolarHBondContact O-N 3.48Å; T86-V93 HydrophobicContact CG2-CG1 4.01Å; T86-V93 HydrophobicContact CG2-CG2 3.75Å |
| 87 | D | 88.1 | Confident | 91.2 | Very high | 81 Ų | 81 | 66 Ų | 66 | 43% | 0.433 | 34% | 0.339 | S | S | . | . | trans | -62.5 | 102.6 | 175.4 | 179.2 | 10 | 0 | 0 | 0 | 111.9 | S89 K90 | D87-S89 PolarHBondContact O-N 3.42Å; D87-S89 WeakPolarHBondContact OD1-CB 3.11Å; D87-S89 PolarHBondContact OD1-N 2.81Å; D87-S89 PolarHBondContact OD1-OG 2.93Å; D87-S89 PolarHBondContact OD2-OG 3.34Å; D87-K90 HydrophobicContact CB-CD 4.1Å; D87-K90 HydrophobicContact CB-CG 4.28Å; D87-K90 WeakPolarHBondContact O-CB 3.23Å; D87-K90 PolarHBondContact O-N 3.42Å | ||
| 88 | K | 83.8 | Confident | 91.2 | Very high | 109 Ų | 109 | 69.3 Ų | 69.3 | 47% | 0.474 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -8.2 | 179.7 | -61.7 | -178.8 | -176.8 | 177 | 0 | 113.7 | T86 K90 | T86-K88 PolarHBondContact O-N 3.48Å; K88-K90 PolarHBondContact O-N 3.33Å |
| 89 | S | 85.8 | Confident | 91.1 | Very high | 101 Ų | 101 | 67.7 Ų | 67.7 | 71% | 0.706 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -21.4 | 172.9 | 75.7 | 0 | 0 | 0 | 0 | 111.8 | D87 G91 | D87-S89 PolarHBondContact O-N 3.42Å; D87-S89 WeakPolarHBondContact OD1-CB 3.11Å; D87-S89 PolarHBondContact OD1-N 2.81Å; D87-S89 PolarHBondContact OD1-OG 2.93Å; D87-S89 PolarHBondContact OD2-OG 3.34Å; S89-G91 PolarHBondContact O-N 3.33Å |
| 90 | K | 91.2 | Very high | 90.9 | Very high | 65 Ų | 65 | 64.2 Ų | 64.2 | 28% | 0.283 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -72.6 | 122.9 | 176.5 | -60.7 | 176.9 | 177.4 | -168.1 | 0 | 110.9 | E40 D87 K88 H92 V93 R94 | E40-K90 WeakPolarHBondContact OE1-CD 3.44Å; E40-K90 WeakPolarHBondContact OE1-CE 3.38Å; E40-K90 IonicContact OE1-NZ 3.28Å; E40-K90 PolarHBondContact OE1-NZ 2.77Å; E40-K90 IonicContact OE2-NZ 3Å; E40-K90 PolarHBondContact OE2-NZ 3.25Å; D87-K90 HydrophobicContact CB-CD 4.1Å; D87-K90 HydrophobicContact CB-CG 4.28Å; D87-K90 WeakPolarHBondContact O-CB 3.23Å; D87-K90 PolarHBondContact O-N 3.42Å; K88-K90 PolarHBondContact O-N 3.33Å; K90-H92 VanDerWaalsContact C-N 3.29Å; K90-H92 PolarHBondContact O-N 3.08Å; K90-V93 HydrophobicContact CB-CB 4.21Å; K90-V93 HydrophobicContact CB-CG2 3.91Å; K90-V93 HydrophobicContact CD-CG2 4.22Å; K90-V93 PolarHBondContact O-N 3.47Å; K90-R94 PolarHBondContact O-N 3.1Å |
| 91 | G | 90.9 | Very high | 90.8 | Very high | 55 Ų | 55 | 69 Ų | 69 | 57% | 0.567 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -56.3 | -39 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | S89 R94 H95 | S89-G91 PolarHBondContact O-N 3.33Å; G91-R94 PolarHBondContact O-N 3.33Å; G91-H95 WeakPolarHBondContact O-CB 3.34Å; G91-H95 PolarHBondContact O-N 2.81Å |
| 92 | H | 91.3 | Very high | 90.5 | Very high | 19 Ų | 19 | 67.1 Ų | 67.1 | 9% | 0.088 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.5 | -41.2 | 179.3 | 59.6 | -82.5 | 0 | 0 | 0 | 112.7 | D33 K36 E40 K90 H95 I96 | D33-H92 HydrophobicContact CB-CB 3.63Å; D33-H92 VanDerWaalsContact OD1-CB 3.3Å; D33-H92 WeakPolarHBondContact OD1-CB 3.41Å; K36-H92 HydrophobicContact CB-CB 4.4Å; K36-H92 HydrophobicContact CD-CB 4.06Å; E40-H92 IonicContact OE1-CE1 3.74Å; E40-H92 PolarHBondContact OE1-CE1 3.21Å; E40-H92 IonicContact OE1-NE2 3.21Å; E40-H92 PolarHBondContact OE1-NE2 3.05Å; E40-H92 IonicContact OE2-CE1 2.72Å; E40-H92 IonicContact OE2-NE2 3.71Å; E40-H92 PolarHBondContact OE2-NE2 3.36Å; K90-H92 VanDerWaalsContact C-N 3.29Å; K90-H92 PolarHBondContact O-N 3.08Å; H92-H95 PolarHBondContact O-N 2.83Å; H92-I96 WeakPolarHBondContact O-CB 3.3Å; H92-I96 WeakPolarHBondContact O-CD1 3.31Å; H92-I96 WeakPolarHBondContact O-CG1 3.41Å; H92-I96 PolarHBondContact O-N 3.08Å |
| 93 | V | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 176.2 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | L37 L83 T86 K90 S97 | L37-V93 HydrophobicContact CD1-CG2 4.06Å; L83-V93 HydrophobicContact CD2-CG1 4.35Å; T86-V93 HydrophobicContact CG2-CG1 4.01Å; T86-V93 HydrophobicContact CG2-CG2 3.75Å; K90-V93 HydrophobicContact CB-CB 4.21Å; K90-V93 HydrophobicContact CB-CG2 3.91Å; K90-V93 HydrophobicContact CD-CG2 4.22Å; K90-V93 PolarHBondContact O-N 3.47Å; V93-S97 WeakPolarHBondContact O-CB 3.41Å; V93-S97 PolarHBondContact O-N 3.14Å |
| 94 | R | 92.5 | Very high | 89.9 | Confident | 150 Ų | 150 | 69.3 Ų | 69.3 | 57% | 0.566 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -60.9 | -49.8 | 178.1 | 179.6 | 177.9 | 169.6 | 178.5 | -3.1 | 111.7 | K90 G91 I96 S97 E98 | K90-R94 PolarHBondContact O-N 3.1Å; G91-R94 PolarHBondContact O-N 3.33Å; R94-I96 PolarHBondContact O-N 2.88Å; R94-S97 WeakPolarHBondContact O-CB 3.27Å; R94-S97 PolarHBondContact O-N 2.92Å; R94-E98 HydrophobicContact CG-CG 4.48Å; R94-E98 WeakPolarHBondContact CG-OE1 3.3Å; R94-E98 IonicContact CZ-OE1 3.52Å; R94-E98 IonicContact NE-OE1 2.79Å; R94-E98 PolarHBondContact NE-OE1 3.44Å; R94-E98 IonicContact NH2-OE1 3.32Å; R94-E98 PolarHBondContact NH2-OE1 3.19Å; R94-E98 WeakPolarHBondContact O-CG 3.42Å; R94-E98 PolarHBondContact O-N 3.46Å |
| 95 | H | 92.2 | Very high | 89.6 | Confident | 58 Ų | 58 | 68.6 Ų | 68.6 | 27% | 0.269 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | -179.6 | -178.3 | -147.8 | 0 | 0 | 0 | 111.8 | D33 G91 H92 S97 E98 E99 | D33-H95 IonicContact OD2-CE1 3.69Å; D33-H95 IonicContact OD2-CG 3.61Å; D33-H95 IonicContact OD2-ND1 2.69Å; D33-H95 PolarHBondContact OD2-ND1 3.22Å; G91-H95 WeakPolarHBondContact O-CB 3.34Å; G91-H95 PolarHBondContact O-N 2.81Å; H92-H95 PolarHBondContact O-N 2.83Å; H95-S97 VanDerWaalsContact C-N 3.33Å; H95-S97 PolarHBondContact O-N 2.93Å; H95-E98 PolarHBondContact O-N 2.69Å; H95-E99 WeakPolarHBondContact O-CG 3.3Å; H95-E99 PolarHBondContact O-N 3.34Å |
| 96 | I | 92.4 | Very high | 89.4 | Confident | 9 Ų | 9 | 64.5 Ų | 64.5 | 5% | 0.046 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 173.7 | -66.6 | 165.9 | 0 | 0 | 0 | 111.3 | L30 D33 I34 L37 L83 H92 R94 E98 E99 L100 | L30-I96 HydrophobicContact CD1-CB 4.33Å; L30-I96 HydrophobicContact CD1-CG1 3.58Å; L30-I96 HydrophobicContact CD2-CG1 4.11Å; L30-I96 HydrophobicContact CD2-CG2 4.49Å; L30-I96 HydrophobicContact CG-CG1 3.87Å; D33-I96 HydrophobicContact CB-CD1 4.01Å; D33-I96 HydrophobicContact CB-CG1 4.03Å; I34-I96 HydrophobicContact CG1-CD1 4.4Å; L37-I96 HydrophobicContact CB-CD1 4.07Å; L37-I96 HydrophobicContact CD2-CD1 3.8Å; L37-I96 HydrophobicContact CG-CD1 4.48Å; L83-I96 HydrophobicContact CD1-CB 4.46Å; L83-I96 HydrophobicContact CD1-CG2 3.71Å; H92-I96 WeakPolarHBondContact O-CB 3.3Å; H92-I96 WeakPolarHBondContact O-CD1 3.31Å; H92-I96 WeakPolarHBondContact O-CG1 3.41Å; H92-I96 PolarHBondContact O-N 3.08Å; R94-I96 PolarHBondContact O-N 2.88Å; I96-E98 PolarHBondContact O-N 2.66Å; I96-E99 PolarHBondContact O-N 2.96Å; I96-L100 HydrophobicContact CG2-CD1 3.75Å; I96-L100 HydrophobicContact CG2-CG 4.22Å; I96-L100 WeakPolarHBondContact O-CB 3.28Å; I96-L100 VanDerWaalsContact O-CG 3.26Å; I96-L100 WeakPolarHBondContact O-CG 3.42Å; I96-L100 PolarHBondContact O-N 2.98Å |
| 97 | S | 92.7 | Very high | 89 | Confident | 30 Ų | 30 | 64.3 Ų | 64.3 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 179.7 | -172.8 | 0 | 0 | 0 | 0 | 112.5 | L80 V93 R94 H95 F101 | L80-S97 WeakPolarHBondContact CD2-O 3.44Å; V93-S97 WeakPolarHBondContact O-CB 3.41Å; V93-S97 PolarHBondContact O-N 3.14Å; R94-S97 WeakPolarHBondContact O-CB 3.27Å; R94-S97 PolarHBondContact O-N 2.92Å; H95-S97 VanDerWaalsContact C-N 3.33Å; H95-S97 PolarHBondContact O-N 2.93Å; S97-F101 VanDerWaalsContact O-CB 3.31Å; S97-F101 WeakPolarHBondContact O-CB 3.22Å; S97-F101 PolarHBondContact O-N 3.08Å |
| 98 | E | 91.7 | Very high | 88.6 | Confident | 91 Ų | 91 | 62.8 Ų | 62.8 | 43% | 0.425 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 178.6 | -72.8 | 171.9 | 178.5 | 0 | 0 | 111.4 | R94 H95 I96 F101 T102 | R94-E98 HydrophobicContact CG-CG 4.48Å; R94-E98 WeakPolarHBondContact CG-OE1 3.3Å; R94-E98 IonicContact CZ-OE1 3.52Å; R94-E98 IonicContact NE-OE1 2.79Å; R94-E98 PolarHBondContact NE-OE1 3.44Å; R94-E98 IonicContact NH2-OE1 3.32Å; R94-E98 PolarHBondContact NH2-OE1 3.19Å; R94-E98 WeakPolarHBondContact O-CG 3.42Å; R94-E98 PolarHBondContact O-N 3.46Å; H95-E98 PolarHBondContact O-N 2.69Å; I96-E98 PolarHBondContact O-N 2.66Å; E98-F101 PolarHBondContact O-N 3.05Å; E98-T102 PolarHBondContact O-N 2.98Å; E98-T102 PolarHBondContact O-OG1 3.36Å |
| 99 | E | 90.6 | Very high | 88.3 | Confident | 49 Ų | 49 | 63 Ų | 63 | 23% | 0.229 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 175.3 | -73.5 | -61.6 | 148 | 0 | 0 | 111.9 | I26 L30 H95 I96 F101 T102 L103 | I26-E99 HydrophobicContact CG2-CG 4.36Å; I26-E99 VanDerWaalsContact CG2-OE2 3.28Å; I26-E99 WeakPolarHBondContact CG2-OE2 3.35Å; L30-E99 HydrophobicContact CD1-CG 4.34Å; H95-E99 WeakPolarHBondContact O-CG 3.3Å; H95-E99 PolarHBondContact O-N 3.34Å; I96-E99 PolarHBondContact O-N 2.96Å; E99-F101 VanDerWaalsContact C-N 3.31Å; E99-F101 PolarHBondContact O-N 2.96Å; E99-T102 PolarHBondContact O-N 3.4Å; E99-L103 WeakPolarHBondContact O-CG 3.46Å; E99-L103 PolarHBondContact O-N 3.39Å |
| 100 | L | 91.2 | Very high | 87.7 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 12% | 0.115 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -38.3 | 175.6 | -73.8 | 174.1 | 0 | 0 | 0 | 112.1 | V76 L80 L83 I96 L103 K104 | V76-L100 HydrophobicContact CG1-CB 4.3Å; V76-L100 HydrophobicContact CG1-CD2 4.23Å; V76-L100 VanDerWaalsContact CG1-O 3.27Å; V76-L100 WeakPolarHBondContact CG1-O 3.46Å; L80-L100 HydrophobicContact CD2-CB 3.68Å; L80-L100 HydrophobicContact CG-CB 3.98Å; L83-L100 HydrophobicContact CD1-CD1 3.71Å; I96-L100 HydrophobicContact CG2-CD1 3.75Å; I96-L100 HydrophobicContact CG2-CG 4.22Å; I96-L100 WeakPolarHBondContact O-CB 3.28Å; I96-L100 VanDerWaalsContact O-CG 3.26Å; I96-L100 WeakPolarHBondContact O-CG 3.42Å; I96-L100 PolarHBondContact O-N 2.98Å; L100-L103 PolarHBondContact O-N 2.85Å; L100-K104 WeakPolarHBondContact O-CB 3.35Å; L100-K104 PolarHBondContact O-N 3.23Å |
| 101 | F | 90 | Very high | 87 | Confident | 116 Ų | 116 | 59.3 Ų | 59.3 | 51% | 0.509 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 175.9 | -170.9 | -98 | 0 | 0 | 0 | 111.6 | L80 S97 E98 E99 L103 K104 N105 | L80-F101 HydrophobicContact CD2-CB 4.46Å; S97-F101 VanDerWaalsContact O-CB 3.31Å; S97-F101 WeakPolarHBondContact O-CB 3.22Å; S97-F101 PolarHBondContact O-N 3.08Å; E98-F101 PolarHBondContact O-N 3.05Å; E99-F101 VanDerWaalsContact C-N 3.31Å; E99-F101 PolarHBondContact O-N 2.96Å; F101-L103 PolarHBondContact O-N 3.3Å; F101-K104 WeakPolarHBondContact O-CB 3.23Å; F101-K104 PolarHBondContact O-N 2.92Å; F101-N105 WeakPolarHBondContact CD1-ND2 3.48Å; F101-N105 WeakPolarHBondContact CE1-ND2 3.29Å; F101-N105 PolarHBondContact O-N 3.09Å; F101-N105 VanDerWaalsContact O-N 3.09Å; F101-N105 PolarHBondContact O-ND2 3.16Å |
| 102 | T | 88.9 | Confident | 86.7 | Confident | 85 Ų | 85 | 63.4 Ų | 63.4 | 52% | 0.521 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62 | -43.7 | 175.4 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | E98 E99 N105 S106 | E98-T102 PolarHBondContact O-N 2.98Å; E98-T102 PolarHBondContact O-OG1 3.36Å; E99-T102 PolarHBondContact O-N 3.4Å; T102-N105 PolarHBondContact O-N 3.26Å; T102-S106 PolarHBondContact O-N 3.08Å |
| 103 | L | 86.6 | Confident | 86.3 | Confident | 39 Ų | 39 | 67.3 Ų | 67.3 | 20% | 0.204 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.9 | -73 | 171.1 | 0 | 0 | 0 | 112 | F21 E99 L100 F101 N105 S106 L107 | F21-L103 HydrophobicContact CE1-CD2 4.02Å; E99-L103 WeakPolarHBondContact O-CG 3.46Å; E99-L103 PolarHBondContact O-N 3.39Å; L100-L103 PolarHBondContact O-N 2.85Å; F101-L103 PolarHBondContact O-N 3.3Å; L103-N105 VanDerWaalsContact C-N 3.31Å; L103-N105 PolarHBondContact O-N 3.36Å; L103-S106 PolarHBondContact O-N 2.96Å; L103-S106 VanDerWaalsContact O-N 3.07Å; L103-S106 PolarHBondContact O-OG 3.04Å; L103-L107 WeakPolarHBondContact O-CG 3.49Å; L103-L107 PolarHBondContact O-N 3.01Å |
| 104 | K | 86.4 | Confident | 85.8 | Confident | 82 Ų | 82 | 70 Ų | 70 | 36% | 0.357 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.4 | -44.8 | 176.8 | -177.1 | 169.5 | 171.9 | 168.5 | 0 | 111.6 | V76 S77 L80 L100 F101 S106 L107 | V76-K104 HydrophobicContact CG1-CB 3.82Å; S77-K104 VanDerWaalsContact OG-CE 3.22Å; S77-K104 WeakPolarHBondContact OG-CE 3.49Å; S77-K104 PolarHBondContact OG-NZ 3.03Å; L80-K104 HydrophobicContact CD1-CB 4.25Å; L80-K104 HydrophobicContact CD1-CD 3.58Å; L100-K104 WeakPolarHBondContact O-CB 3.35Å; L100-K104 PolarHBondContact O-N 3.23Å; F101-K104 WeakPolarHBondContact O-CB 3.23Å; F101-K104 PolarHBondContact O-N 2.92Å; K104-S106 PolarHBondContact O-N 3.46Å; K104-L107 PolarHBondContact O-N 3.3Å; K104-L107 VanDerWaalsContact O-N 3.12Å |
| 105 | N | 85.3 | Confident | 85.6 | Confident | 109 Ų | 109 | 69.1 Ų | 69.1 | 58% | 0.583 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.4 | -23.5 | 179.1 | -66 | -25.6 | 0 | 0 | 0 | 113.4 | F101 T102 L103 | F101-N105 WeakPolarHBondContact CD1-ND2 3.48Å; F101-N105 WeakPolarHBondContact CE1-ND2 3.29Å; F101-N105 PolarHBondContact O-N 3.09Å; F101-N105 VanDerWaalsContact O-N 3.09Å; F101-N105 PolarHBondContact O-ND2 3.16Å; T102-N105 PolarHBondContact O-N 3.26Å; L103-N105 VanDerWaalsContact C-N 3.31Å; L103-N105 PolarHBondContact O-N 3.36Å |
| 106 | S | 82.3 | Confident | 85.5 | Confident | 61 Ų | 61 | 70 Ų | 70 | 43% | 0.427 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -84.6 | -13.3 | 175.8 | 80.2 | 0 | 0 | 0 | 0 | 113.9 | R69 T102 L103 K104 | R69-S106 PolarHBondContact NH2-O 3.48Å; T102-S106 PolarHBondContact O-N 3.08Å; L103-S106 PolarHBondContact O-N 2.96Å; L103-S106 VanDerWaalsContact O-N 3.07Å; L103-S106 PolarHBondContact O-OG 3.04Å; K104-S106 PolarHBondContact O-N 3.46Å |
| 107 | L | 81.4 | Confident | 85.3 | Confident | 19 Ų | 19 | 74.4 Ų | 74.4 | 10% | 0.099 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -93.7 | 148 | -179.9 | -69.8 | 168 | 0 | 0 | 0 | 110.2 | R69 L72 V76 L103 K104 | R69-L107 HydrophobicContact CB-CD2 4.15Å; R69-L107 HydrophobicContact CG-CD2 4.13Å; L72-L107 HydrophobicContact CB-CD1 4.35Å; V76-L107 HydrophobicContact CG2-CD1 4.17Å; L103-L107 WeakPolarHBondContact O-CG 3.49Å; L103-L107 PolarHBondContact O-N 3.01Å; K104-L107 PolarHBondContact O-N 3.3Å; K104-L107 VanDerWaalsContact O-N 3.12Å |
| 108 | P | 79.9 | Confident | 85.1 | Confident | 49 Ų | 49 | 77.6 Ų | 77.6 | 32% | 0.318 | 39% | 0.39 | S | S | . | . | trans | -62.4 | 153.8 | 173.6 | 29.4 | -34.8 | 0 | 0 | 0 | 109.9 | R69 S73 G110 | R69-P108 HydrophobicContact CB-CG 4.04Å; S73-P108 WeakPolarHBondContact CB-O 3.44Å; S73-P108 PolarHBondContact OG-O 3.48Å; P108-G110 VanDerWaalsContact C-N 3.29Å; P108-G110 PolarHBondContact O-N 3.49Å | ||
| 109 | D | 77.2 | Confident | 85.2 | Confident | 113 Ų | 113 | 76.6 Ų | 76.6 | 60% | 0.604 | 39% | 0.388 | S | S | * | . | trans | -66.5 | 92.3 | 169.8 | -177 | 11.5 | 0 | 0 | 0 | 109.9 | L111 | D109-L111 PolarHBondContact O-N 2.69Å; D109-L111 VanDerWaalsContact OD1-CB 3.31Å; D109-L111 WeakPolarHBondContact OD1-CB 3.34Å; D109-L111 PolarHBondContact OD1-N 3.07Å; D109-L111 VanDerWaalsContact OD1-N 3.1Å | ||
| 110 | G | 73.1 | Confident | 85.4 | Confident | 2 Ų | 2 | 79.8 Ų | 79.8 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -71.7 | -17.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S73 P108 K112 K113 L114 | S73-G110 WeakPolarHBondContact OG-CA 3.4Å; S73-G110 PolarHBondContact OG-N 3.34Å; P108-G110 VanDerWaalsContact C-N 3.29Å; P108-G110 PolarHBondContact O-N 3.49Å; G110-K112 PolarHBondContact O-N 2.87Å; G110-K113 PolarHBondContact O-N 3.29Å; G110-L114 WeakPolarHBondContact O-CB 3.49Å; G110-L114 PolarHBondContact O-N 3.38Å |
| 111 | L | 78.1 | Confident | 85.4 | Confident | 88 Ų | 88 | 82.8 Ų | 82.8 | 46% | 0.461 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | -177.8 | -72.5 | 170.1 | 0 | 0 | 0 | 111.3 | D109 K113 L114 K115 | D109-L111 PolarHBondContact O-N 2.69Å; D109-L111 VanDerWaalsContact OD1-CB 3.31Å; D109-L111 WeakPolarHBondContact OD1-CB 3.34Å; D109-L111 PolarHBondContact OD1-N 3.07Å; D109-L111 VanDerWaalsContact OD1-N 3.1Å; L111-K113 PolarHBondContact O-N 3.25Å; L111-L114 PolarHBondContact O-N 3.38Å; L111-K115 VanDerWaalsContact O-CB 3.25Å; L111-K115 WeakPolarHBondContact O-CB 3.42Å; L111-K115 PolarHBondContact O-N 2.9Å |
| 112 | K | 82.9 | Confident | 85.6 | Confident | 140 Ų | 140 | 83.9 Ų | 83.9 | 61% | 0.609 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.9 | -49.9 | 177.6 | -174.7 | 180 | 178 | -178.3 | 0 | 111.2 | G110 L114 K115 D116 | G110-K112 PolarHBondContact O-N 2.87Å; K112-L114 PolarHBondContact O-N 3.49Å; K112-K115 WeakPolarHBondContact O-CB 3.44Å; K112-K115 PolarHBondContact O-N 3.12Å; K112-D116 PolarHBondContact O-N 3.09Å |
| 113 | K | 83.4 | Confident | 85.9 | Confident | 101 Ų | 101 | 83.9 Ų | 83.9 | 44% | 0.439 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.5 | -40.1 | -178.8 | -68.3 | -174 | 175.8 | -172.6 | 0 | 112.4 | I70 G110 L111 K115 D116 I117 | I70-K113 HydrophobicContact CD1-CB 4.19Å; I70-K113 HydrophobicContact CD1-CD 3.24Å; I70-K113 HydrophobicContact CD1-CG 4.36Å; I70-K113 HydrophobicContact CG1-CD 3.83Å; I70-K113 HydrophobicContact CG2-CB 4.4Å; G110-K113 PolarHBondContact O-N 3.29Å; L111-K113 PolarHBondContact O-N 3.25Å; K113-K115 VanDerWaalsContact C-N 3.34Å; K113-D116 PolarHBondContact O-N 3.36Å; K113-I117 WeakPolarHBondContact O-CG1 3.5Å; K113-I117 PolarHBondContact O-N 3.29Å; K113-I117 VanDerWaalsContact O-N 3.09Å |
| 114 | L | 83.1 | Confident | 86.3 | Confident | 58 Ų | 58 | 88.1 Ų | 88.1 | 30% | 0.304 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 174.8 | -170.4 | 88.4 | 0 | 0 | 0 | 110.8 | G110 L111 K112 I117 M118 | G110-L114 WeakPolarHBondContact O-CB 3.49Å; G110-L114 PolarHBondContact O-N 3.38Å; L111-L114 PolarHBondContact O-N 3.38Å; K112-L114 PolarHBondContact O-N 3.49Å; L114-I117 PolarHBondContact O-N 3.34Å; L114-M118 HydrophobicContact CD2-SD 4.36Å; L114-M118 WeakPolarHBondContact O-CG 3.49Å; L114-M118 PolarHBondContact O-N 3.31Å |
| 115 | K | 87.6 | Confident | 86.7 | Confident | 130 Ų | 130 | 89.6 Ų | 89.6 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60.3 | -46.8 | 176.7 | -177.1 | -179.6 | 177.9 | -179.9 | 0 | 111.3 | L111 K112 K113 I117 M118 D119 | L111-K115 VanDerWaalsContact O-CB 3.25Å; L111-K115 WeakPolarHBondContact O-CB 3.42Å; L111-K115 PolarHBondContact O-N 2.9Å; K112-K115 WeakPolarHBondContact O-CB 3.44Å; K112-K115 PolarHBondContact O-N 3.12Å; K113-K115 VanDerWaalsContact C-N 3.34Å; K115-I117 VanDerWaalsContact C-N 3.28Å; K115-I117 PolarHBondContact O-N 3.35Å; K115-M118 PolarHBondContact O-N 3.46Å; K115-M118 VanDerWaalsContact O-N 3.12Å; K115-D119 WeakPolarHBondContact O-CB 3.43Å; K115-D119 VanDerWaalsContact O-CG 3.28Å; K115-D119 PolarHBondContact O-N 3.1Å |
| 116 | D | 89.8 | Confident | 87.2 | Confident | 77 Ų | 77 | 89.1 Ų | 89.1 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -56.8 | -43.6 | 176.7 | -64.2 | -22.9 | 0 | 0 | 0 | 110.7 | K112 K113 D119 L120 | K112-D116 PolarHBondContact O-N 3.09Å; K113-D116 PolarHBondContact O-N 3.36Å; D116-D119 PolarHBondContact O-N 3.24Å; D116-L120 WeakPolarHBondContact O-CB 3.27Å; D116-L120 VanDerWaalsContact O-CG 3.24Å; D116-L120 WeakPolarHBondContact O-CG 3.42Å; D116-L120 PolarHBondContact O-N 3.42Å |
| 117 | I | 88.9 | Confident | 87.9 | Confident | 102 Ų | 102 | 89.4 Ų | 89.4 | 52% | 0.523 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 175.7 | -66.7 | 165.5 | 0 | 0 | 0 | 111.8 | K113 L114 K115 D119 L120 A121 | K113-I117 WeakPolarHBondContact O-CG1 3.5Å; K113-I117 PolarHBondContact O-N 3.29Å; K113-I117 VanDerWaalsContact O-N 3.09Å; L114-I117 PolarHBondContact O-N 3.34Å; K115-I117 VanDerWaalsContact C-N 3.28Å; K115-I117 PolarHBondContact O-N 3.35Å; I117-D119 VanDerWaalsContact C-N 3.34Å; I117-L120 PolarHBondContact O-N 3.28Å; I117-A121 WeakPolarHBondContact O-CB 3.18Å; I117-A121 PolarHBondContact O-N 3Å |
| 118 | M | 89.5 | Confident | 88.7 | Confident | 96 Ų | 96 | 93 Ų | 93 | 47% | 0.473 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 178.5 | -71.5 | -177.3 | 76.9 | 0 | 0 | 112.2 | L114 K115 A121 K122 | L114-M118 HydrophobicContact CD2-SD 4.36Å; L114-M118 WeakPolarHBondContact O-CG 3.49Å; L114-M118 PolarHBondContact O-N 3.31Å; K115-M118 PolarHBondContact O-N 3.46Å; K115-M118 VanDerWaalsContact O-N 3.12Å; M118-A121 PolarHBondContact O-N 3.21Å; M118-K122 VanDerWaalsContact O-CG 3.25Å; M118-K122 WeakPolarHBondContact O-CG 3.45Å; M118-K122 PolarHBondContact O-N 3.03Å; M118-K122 VanDerWaalsContact O-N 3.14Å |
| 119 | D | 93.8 | Very high | 89.5 | Confident | 71 Ų | 71 | 97.3 Ų | 97.3 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.7 | -39.4 | 178.8 | -70.7 | -14.8 | 0 | 0 | 0 | 110.4 | K115 D116 I117 K122 L123 | K115-D119 WeakPolarHBondContact O-CB 3.43Å; K115-D119 VanDerWaalsContact O-CG 3.28Å; K115-D119 PolarHBondContact O-N 3.1Å; D116-D119 PolarHBondContact O-N 3.24Å; I117-D119 VanDerWaalsContact C-N 3.34Å; D119-K122 PolarHBondContact O-N 3.37Å; D119-L123 PolarHBondContact O-N 3.43Å |
| 120 | L | 93.5 | Very high | 90.4 | Very high | 116 Ų | 116 | 93.8 Ų | 93.8 | 61% | 0.607 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.4 | -44.4 | 170.6 | -72.2 | 172.8 | 0 | 0 | 0 | 112.1 | D116 I117 K122 L123 | D116-L120 WeakPolarHBondContact O-CB 3.27Å; D116-L120 VanDerWaalsContact O-CG 3.24Å; D116-L120 WeakPolarHBondContact O-CG 3.42Å; D116-L120 PolarHBondContact O-N 3.42Å; I117-L120 PolarHBondContact O-N 3.28Å; L120-K122 PolarHBondContact O-N 3.2Å; L120-L123 HydrophobicContact CD2-CD1 3.9Å; L120-L123 WeakPolarHBondContact O-CB 3.26Å; L120-L123 WeakPolarHBondContact O-CG 3.47Å; L120-L123 PolarHBondContact O-N 2.92Å |
| 121 | A | 92.2 | Very high | 91.6 | Very high | 85 Ų | 85 | 97.5 Ų | 97.5 | 70% | 0.702 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.3 | -23.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I117 M118 | I117-A121 WeakPolarHBondContact O-CB 3.18Å; I117-A121 PolarHBondContact O-N 3Å; M118-A121 PolarHBondContact O-N 3.21Å |
| 122 | K | 94.6 | Very high | 92.5 | Very high | 139 Ų | 139 | 101.8 Ų | 101.8 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -5.2 | 177.8 | -70.9 | 168.5 | -173.5 | 172.7 | 0 | 113.7 | M118 D119 L120 Q124 | M118-K122 VanDerWaalsContact O-CG 3.25Å; M118-K122 WeakPolarHBondContact O-CG 3.45Å; M118-K122 PolarHBondContact O-N 3.03Å; M118-K122 VanDerWaalsContact O-N 3.14Å; D119-K122 PolarHBondContact O-N 3.37Å; L120-K122 PolarHBondContact O-N 3.2Å; K122-Q124 PolarHBondContact O-N 3.09Å |
| 123 | L | 94.8 | Very high | 93.2 | Very high | 84 Ų | 84 | 100.9 Ų | 100.9 | 44% | 0.44 | 50% | 0.501 | S | S | . | . | trans | -61.6 | 125.7 | 179.9 | -71.6 | 174.6 | 0 | 0 | 0 | 110.8 | D119 L120 M125 I130 | D119-L123 PolarHBondContact O-N 3.43Å; L120-L123 HydrophobicContact CD2-CD1 3.9Å; L120-L123 WeakPolarHBondContact O-CB 3.26Å; L120-L123 WeakPolarHBondContact O-CG 3.47Å; L120-L123 PolarHBondContact O-N 2.92Å; L123-M125 PolarHBondContact O-N 3.33Å; L123-I130 HydrophobicContact CD2-CD1 4.29Å | ||
| 124 | Q | 94.6 | Very high | 93.9 | Very high | 129 Ų | 129 | 98.1 Ų | 98.1 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | trans | -79.6 | 89.5 | 175 | -65.2 | -171 | -3.4 | 0 | 0 | 109.6 | K122 S126 D127 I130 | K122-Q124 PolarHBondContact O-N 3.09Å; Q124-S126 PolarHBondContact O-N 3.38Å; Q124-D127 HydrophobicContact CB-CB 4.33Å; Q124-D127 WeakPolarHBondContact O-CB 3.37Å; Q124-D127 PolarHBondContact O-N 3.44Å; Q124-I130 HydrophobicContact CB-CD1 4.3Å | ||
| 125 | M | 94 | Very high | 94.6 | Very high | 112 Ų | 112 | 100.3 Ų | 100.3 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -4.8 | 179.6 | -68.5 | -60.1 | -71.7 | 0 | 0 | 114 | L123 I130 Q131 A134 | L123-M125 PolarHBondContact O-N 3.33Å; M125-I130 HydrophobicContact SD-CG2 3.98Å; M125-Q131 VanDerWaalsContact O-CG 3.25Å; M125-Q131 WeakPolarHBondContact O-CG 3.31Å; M125-Q131 PolarHBondContact O-NE2 3.21Å; M125-A134 HydrophobicContact CE-CB 4.37Å |
| 126 | S | 95.4 | Very high | 95 | Very high | 100 Ų | 100 | 100.7 Ų | 100.7 | 70% | 0.699 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -18.9 | 167.6 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | Q124 L128 | Q124-S126 PolarHBondContact O-N 3.38Å; S126-L128 PolarHBondContact O-N 3.5Å |
| 127 | D | 97.7 | Very high | 95.4 | Very high | 66 Ų | 66 | 102.3 Ų | 102.3 | 35% | 0.353 | 53% | 0.526 | S | S | . | . | trans | -72.2 | 119.5 | 176.7 | -178.3 | -20.2 | 0 | 0 | 0 | 109.8 | Q124 K129 I130 Q131 | Q124-D127 HydrophobicContact CB-CB 4.33Å; Q124-D127 WeakPolarHBondContact O-CB 3.37Å; Q124-D127 PolarHBondContact O-N 3.44Å; D127-K129 PolarHBondContact O-N 2.79Å; D127-K129 VanDerWaalsContact OD1-CB 3.29Å; D127-K129 WeakPolarHBondContact OD1-CB 3.49Å; D127-K129 PolarHBondContact OD1-N 3.5Å; D127-I130 HydrophobicContact CB-CB 4.16Å; D127-I130 HydrophobicContact CB-CD1 3.97Å; D127-I130 HydrophobicContact CB-CG1 3.97Å; D127-I130 WeakPolarHBondContact O-CB 3.49Å; D127-I130 PolarHBondContact O-N 3.21Å; D127-Q131 WeakPolarHBondContact O-CG 3.4Å; D127-Q131 PolarHBondContact O-N 2.93Å | ||
| 128 | L | 97.6 | Very high | 95.8 | Very high | 95 Ų | 95 | 101.8 Ų | 101.8 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.1 | -29.5 | -178.3 | -167.7 | 129.6 | 0 | 0 | 0 | 113.2 | S126 R132 | S126-L128 PolarHBondContact O-N 3.5Å; L128-R132 VanDerWaalsContact CD2-NE 3.28Å; L128-R132 WeakPolarHBondContact O-CB 3.4Å; L128-R132 VanDerWaalsContact O-CG 3.25Å; L128-R132 WeakPolarHBondContact O-CG 3.16Å; L128-R132 PolarHBondContact O-N 3.41Å |
| 129 | K | 97.6 | Very high | 96 | Very high | 140 Ų | 140 | 104.6 Ų | 104.6 | 61% | 0.609 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.5 | -40.3 | 174.1 | -173.1 | 179.1 | -178.4 | 179.1 | 0 | 111.4 | D127 K133 | D127-K129 PolarHBondContact O-N 2.79Å; D127-K129 VanDerWaalsContact OD1-CB 3.29Å; D127-K129 WeakPolarHBondContact OD1-CB 3.49Å; D127-K129 PolarHBondContact OD1-N 3.5Å; K129-K133 WeakPolarHBondContact O-CG 3.42Å; K129-K133 PolarHBondContact O-N 3.19Å |
| 130 | I | 96.8 | Very high | 96 | Very high | 38 Ų | 38 | 104.5 Ų | 104.5 | 20% | 0.195 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -66.8 | -44.8 | 176.4 | -64.5 | -179 | 0 | 0 | 0 | 109.6 | L123 Q124 M125 D127 R132 K133 A134 | L123-I130 HydrophobicContact CD2-CD1 4.29Å; Q124-I130 HydrophobicContact CB-CD1 4.3Å; M125-I130 HydrophobicContact SD-CG2 3.98Å; D127-I130 HydrophobicContact CB-CB 4.16Å; D127-I130 HydrophobicContact CB-CD1 3.97Å; D127-I130 HydrophobicContact CB-CG1 3.97Å; D127-I130 WeakPolarHBondContact O-CB 3.49Å; D127-I130 PolarHBondContact O-N 3.21Å; I130-R132 PolarHBondContact O-N 2.99Å; I130-K133 WeakPolarHBondContact O-CB 3.35Å; I130-K133 PolarHBondContact O-N 2.97Å; I130-A134 WeakPolarHBondContact O-CB 3.46Å; I130-A134 PolarHBondContact O-N 3.12Å |
| 131 | Q | 97.6 | Very high | 96 | Very high | 80 Ų | 80 | 102.7 Ų | 102.7 | 37% | 0.374 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57 | -48.6 | 176.2 | -69.5 | 174.4 | -2.9 | 0 | 0 | 112.3 | M125 D127 K133 A134 V135 | M125-Q131 VanDerWaalsContact O-CG 3.25Å; M125-Q131 WeakPolarHBondContact O-CG 3.31Å; M125-Q131 PolarHBondContact O-NE2 3.21Å; D127-Q131 WeakPolarHBondContact O-CG 3.4Å; D127-Q131 PolarHBondContact O-N 2.93Å; Q131-K133 VanDerWaalsContact C-N 3.28Å; Q131-K133 PolarHBondContact O-N 2.98Å; Q131-A134 PolarHBondContact O-N 2.91Å; Q131-V135 WeakPolarHBondContact O-CG2 3.5Å; Q131-V135 PolarHBondContact O-N 3.49Å |
| 132 | R | 98 | Very high | 96 | Very high | 179 Ų | 179 | 103 Ų | 103 | 68% | 0.675 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.7 | -41.1 | 177.6 | -75.8 | 172.7 | 178.1 | 178.9 | 0.7 | 112.1 | L128 I130 N136 | L128-R132 VanDerWaalsContact CD2-NE 3.28Å; L128-R132 WeakPolarHBondContact O-CB 3.4Å; L128-R132 VanDerWaalsContact O-CG 3.25Å; L128-R132 WeakPolarHBondContact O-CG 3.16Å; L128-R132 PolarHBondContact O-N 3.41Å; I130-R132 PolarHBondContact O-N 2.99Å; R132-N136 WeakPolarHBondContact O-CB 3.3Å; R132-N136 PolarHBondContact O-N 3.49Å |
| 133 | K | 97.6 | Very high | 95.9 | Very high | 120 Ų | 120 | 100.6 Ų | 100.6 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -47.6 | 175.5 | -73 | -178.4 | 171.6 | -165.8 | 0 | 112.1 | K129 I130 Q131 V135 N136 E137 | K129-K133 WeakPolarHBondContact O-CG 3.42Å; K129-K133 PolarHBondContact O-N 3.19Å; I130-K133 WeakPolarHBondContact O-CB 3.35Å; I130-K133 PolarHBondContact O-N 2.97Å; Q131-K133 VanDerWaalsContact C-N 3.28Å; Q131-K133 PolarHBondContact O-N 2.98Å; K133-V135 VanDerWaalsContact C-N 3.3Å; K133-V135 PolarHBondContact O-N 2.87Å; K133-N136 WeakPolarHBondContact O-CB 3.36Å; K133-N136 PolarHBondContact O-N 2.92Å; K133-N136 VanDerWaalsContact O-N 3.11Å; K133-E137 PolarHBondContact O-N 3.3Å |
| 134 | A | 96.8 | Very high | 95.7 | Very high | 43 Ų | 43 | 101 Ų | 101 | 36% | 0.355 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | M125 I130 Q131 E137 L138 | M125-A134 HydrophobicContact CE-CB 4.37Å; I130-A134 WeakPolarHBondContact O-CB 3.46Å; I130-A134 PolarHBondContact O-N 3.12Å; Q131-A134 PolarHBondContact O-N 2.91Å; A134-E137 PolarHBondContact O-N 3.01Å; A134-L138 PolarHBondContact O-N 3.29Å |
| 135 | V | 97.6 | Very high | 95.1 | Very high | 105 Ų | 105 | 100.1 Ų | 100.1 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66 | -40 | 175.7 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | Q131 K133 E137 L138 | Q131-V135 WeakPolarHBondContact O-CG2 3.5Å; Q131-V135 PolarHBondContact O-N 3.49Å; K133-V135 VanDerWaalsContact C-N 3.3Å; K133-V135 PolarHBondContact O-N 2.87Å; V135-E137 VanDerWaalsContact C-N 3.28Å; V135-E137 PolarHBondContact O-N 3.06Å; V135-L138 WeakPolarHBondContact O-CB 3.36Å; V135-L138 PolarHBondContact O-N 3Å |
| 136 | N | 97.8 | Very high | 94.6 | Very high | 138 Ų | 138 | 100.7 Ų | 100.7 | 74% | 0.738 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.7 | -33 | 177.4 | -175.6 | 73.2 | 0 | 0 | 0 | 112.8 | R132 K133 | R132-N136 WeakPolarHBondContact O-CB 3.3Å; R132-N136 PolarHBondContact O-N 3.49Å; K133-N136 WeakPolarHBondContact O-CB 3.36Å; K133-N136 PolarHBondContact O-N 2.92Å; K133-N136 VanDerWaalsContact O-N 3.11Å |
| 137 | E | 97.1 | Very high | 93.7 | Very high | 110 Ų | 110 | 101.9 Ų | 101.9 | 51% | 0.514 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -92.2 | -8.8 | -179.8 | -67.2 | 174.5 | -144.2 | 0 | 0 | 113.4 | K133 A134 V135 F139 S140 V141 | K133-E137 PolarHBondContact O-N 3.3Å; A134-E137 PolarHBondContact O-N 3.01Å; V135-E137 VanDerWaalsContact C-N 3.28Å; V135-E137 PolarHBondContact O-N 3.06Å; E137-F139 VanDerWaalsContact C-N 3.33Å; E137-F139 PolarHBondContact O-N 3.49Å; E137-S140 PolarHBondContact O-N 3.18Å; E137-S140 VanDerWaalsContact O-N 3.13Å; E137-V141 WeakPolarHBondContact O-CG2 3.38Å; E137-V141 PolarHBondContact O-N 2.91Å; E137-V141 VanDerWaalsContact O-N 3.08Å |
| 138 | L | 96.4 | Very high | 91.9 | Very high | 92 Ų | 92 | 102.7 Ų | 102.7 | 48% | 0.482 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -55.2 | -44.8 | -170.5 | 179.9 | 59.5 | 0 | 0 | 0 | 113.1 | A134 V135 S140 V141 L142 | A134-L138 PolarHBondContact O-N 3.29Å; V135-L138 WeakPolarHBondContact O-CB 3.36Å; V135-L138 PolarHBondContact O-N 3Å; L138-S140 PolarHBondContact O-N 2.93Å; L138-V141 PolarHBondContact O-N 3.41Å; L138-L142 HydrophobicContact CD1-CD1 4.24Å; L138-L142 HydrophobicContact CD1-CG 4.2Å; L138-L142 HydrophobicContact CG-CD1 4.15Å; L138-L142 WeakPolarHBondContact O-CG 3.42Å; L138-L142 PolarHBondContact O-N 3.41Å |
| 139 | F | 94.3 | Very high | 89.8 | Confident | 154 Ų | 154 | 103.7 Ų | 103.7 | 68% | 0.675 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.3 | -46.1 | -179.3 | -177.3 | -98.2 | 0 | 0 | 0 | 111.9 | E137 V141 L142 Q143 | E137-F139 VanDerWaalsContact C-N 3.33Å; E137-F139 PolarHBondContact O-N 3.49Å; F139-V141 VanDerWaalsContact C-N 3.33Å; F139-V141 PolarHBondContact O-N 3.44Å; F139-L142 PolarHBondContact O-N 2.96Å; F139-Q143 PolarHBondContact O-N 3Å |
| 140 | S | 94.1 | Very high | 87.6 | Confident | 69 Ų | 69 | 103.7 Ų | 103.7 | 48% | 0.483 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.6 | -37.8 | 178.5 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | E137 L138 Q143 T144 | E137-S140 PolarHBondContact O-N 3.18Å; E137-S140 VanDerWaalsContact O-N 3.13Å; L138-S140 PolarHBondContact O-N 2.93Å; S140-Q143 PolarHBondContact O-N 3.39Å; S140-T144 PolarHBondContact O-N 3.03Å; S140-T144 PolarHBondContact O-OG1 3.28Å |
| 141 | V | 93.8 | Very high | 85.3 | Confident | 78 Ų | 78 | 105.1 Ų | 105.1 | 47% | 0.473 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.5 | -47.3 | 174.7 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | E137 L138 F139 Q143 T144 L145 | E137-V141 WeakPolarHBondContact O-CG2 3.38Å; E137-V141 PolarHBondContact O-N 2.91Å; E137-V141 VanDerWaalsContact O-N 3.08Å; L138-V141 PolarHBondContact O-N 3.41Å; F139-V141 VanDerWaalsContact C-N 3.33Å; F139-V141 PolarHBondContact O-N 3.44Å; V141-Q143 VanDerWaalsContact C-N 3.33Å; V141-Q143 PolarHBondContact O-N 3.29Å; V141-T144 PolarHBondContact O-N 3.06Å; V141-L145 PolarHBondContact O-N 3.24Å; V141-L145 VanDerWaalsContact O-N 3.14Å |
| 142 | L | 92.8 | Very high | 82.9 | Confident | 92 Ų | 92 | 111.1 Ų | 111.1 | 48% | 0.482 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.3 | -39.8 | 177.5 | -68 | 176.2 | 0 | 0 | 0 | 112 | L138 F139 L145 V146 | L138-L142 HydrophobicContact CD1-CD1 4.24Å; L138-L142 HydrophobicContact CD1-CG 4.2Å; L138-L142 HydrophobicContact CG-CD1 4.15Å; L138-L142 WeakPolarHBondContact O-CG 3.42Å; L138-L142 PolarHBondContact O-N 3.41Å; F139-L142 PolarHBondContact O-N 2.96Å; L142-L145 HydrophobicContact CD2-CD1 4.36Å; L142-L145 PolarHBondContact O-N 3.21Å; L142-V146 PolarHBondContact O-N 3.35Å |
| 143 | Q | 92.3 | Very high | 80.6 | Confident | 89 Ų | 89 | 111.2 Ų | 111.2 | 42% | 0.416 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.8 | -44.3 | 175.4 | -176.5 | 175.5 | 0.6 | 0 | 0 | 111.6 | F139 S140 V141 L145 V146 E147 | F139-Q143 PolarHBondContact O-N 3Å; S140-Q143 PolarHBondContact O-N 3.39Å; V141-Q143 VanDerWaalsContact C-N 3.33Å; V141-Q143 PolarHBondContact O-N 3.29Å; Q143-L145 VanDerWaalsContact C-N 3.27Å; Q143-L145 PolarHBondContact O-N 3.13Å; Q143-V146 PolarHBondContact O-N 3.25Å; Q143-V146 VanDerWaalsContact O-N 3.13Å; Q143-E147 HydrophobicContact CG-CG 4.36Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.45Å; Q143-E147 PolarHBondContact NE2-OE1 3.48Å; Q143-E147 WeakPolarHBondContact O-CG 3.21Å; Q143-E147 PolarHBondContact O-N 3.28Å |
| 144 | T | 89.3 | Confident | 78.5 | Confident | 92 Ų | 92 | 116.8 Ų | 116.8 | 56% | 0.564 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.4 | -35.5 | 178.7 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | S140 V141 E147 T148 | S140-T144 PolarHBondContact O-N 3.03Å; S140-T144 PolarHBondContact O-OG1 3.28Å; V141-T144 PolarHBondContact O-N 3.06Å; T144-E147 PolarHBondContact O-N 3Å; T144-T148 PolarHBondContact O-N 2.72Å |
| 145 | L | 83 | Confident | 76.3 | Confident | 110 Ų | 110 | 124.4 Ų | 124.4 | 58% | 0.576 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.1 | -42.3 | 175.5 | -70.4 | 171.8 | 0 | 0 | 0 | 111.8 | V141 L142 Q143 T148 | V141-L145 PolarHBondContact O-N 3.24Å; V141-L145 VanDerWaalsContact O-N 3.14Å; L142-L145 HydrophobicContact CD2-CD1 4.36Å; L142-L145 PolarHBondContact O-N 3.21Å; Q143-L145 VanDerWaalsContact C-N 3.27Å; Q143-L145 PolarHBondContact O-N 3.13Å; L145-T148 PolarHBondContact O-OG1 3.48Å |
| 146 | V | 84 | Confident | 74.2 | Confident | 125 Ų | 125 | 130.3 Ų | 130.3 | 76% | 0.758 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.3 | -33.9 | 179.3 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | L142 Q143 T148 | L142-V146 PolarHBondContact O-N 3.35Å; Q143-V146 PolarHBondContact O-N 3.25Å; Q143-V146 VanDerWaalsContact O-N 3.13Å; V146-T148 PolarHBondContact O-N 2.95Å |
| 147 | E | 75.8 | Confident | 72.4 | Confident | 125 Ų | 125 | 128.9 Ų | 128.9 | 58% | 0.584 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -2.2 | -180 | -72.1 | -179.4 | -173.5 | 0 | 0 | 114.2 | Q143 T144 | Q143-E147 HydrophobicContact CG-CG 4.36Å; Q143-E147 WeakPolarHBondContact CG-OE1 3.45Å; Q143-E147 PolarHBondContact NE2-OE1 3.48Å; Q143-E147 WeakPolarHBondContact O-CG 3.21Å; Q143-E147 PolarHBondContact O-N 3.28Å; T144-E147 PolarHBondContact O-N 3Å |
| 148 | T | 59.6 | Low | 70.5 | Confident | 83 Ų | 83 | 132.1 Ų | 132.1 | 51% | 0.509 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -53.3 | 126.7 | 176.7 | 39.7 | 0 | 0 | 0 | 0 | 110.8 | T144 L145 V146 T150 | T144-T148 PolarHBondContact O-N 2.72Å; L145-T148 PolarHBondContact O-OG1 3.48Å; V146-T148 PolarHBondContact O-N 2.95Å; T148-T150 VanDerWaalsContact C-N 3.29Å; T148-T150 PolarHBondContact O-N 3.2Å |
| 149 | P | 54.1 | Low | 68.5 | Low | 115 Ų | 115 | 132.2 Ų | 132.2 | 75% | 0.747 | 68% | 0.675 | S | S | * | * | trans | -78.8 | 76.6 | -165.2 | 31.3 | -34.8 | 0 | 0 | 0 | 110.9 | S151 | P149-S151 PolarHBondContact O-N 3.06Š| ||
| 150 | T | 50.6 | Low | 66.7 | Low | 140 Ų | 140 | 132.8 Ų | 132.8 | 86% | 0.859 | 68% | 0.68 | S | S | * | * | trans | -75.8 | 10.3 | 165.4 | 47.5 | 0 | 0 | 0 | 0 | 112.8 | T148 | T148-T150 VanDerWaalsContact C-N 3.29Å; T148-T150 PolarHBondContact O-N 3.2Å | ||
| 151 | S | 48.5 | Very low | 64.9 | Low | 68 Ų | 68 | 140.3 Ų | 140.3 | 48% | 0.476 | 70% | 0.698 | S | S | . | * | trans | -143.1 | 108.4 | 168.9 | 61.9 | 0 | 0 | 0 | 0 | 111.3 | P149 K153 | P149-S151 PolarHBondContact O-N 3.06Å; S151-K153 PolarHBondContact O-N 2.94Å | ||
| 152 | F | 47.5 | Very low | 63 | Low | 206 Ų | 206 | 147.3 Ų | 147.3 | 90% | 0.904 | 72% | 0.716 | S | S | * | * | trans | -55.3 | 78.9 | 139.1 | -68.1 | -88.3 | 0 | 0 | 0 | 106.9 | R154 | F152-R154 PolarHBondContact O-N 3.02Š| ||
| 153 | K | 50 | Low | 61.1 | Low | 181 Ų | 181 | 148.5 Ų | 148.5 | 79% | 0.787 | 73% | 0.73 | S | S | * | * | trans | -60.5 | 92.4 | 163.5 | -87.8 | -179 | -176.9 | 177.8 | 0 | 104.6 | S151 K155 | S151-K153 PolarHBondContact O-N 2.94Å; K153-K155 PolarHBondContact O-N 2.69Å | ||
| 154 | R | 53.3 | Low | 58.9 | Low | 237 Ų | 237 | 154.1 Ų | 154.1 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | trans | -46.8 | 109.8 | 169.6 | -80.2 | 179.8 | 178.7 | 157.5 | -0.5 | 105.4 | F152 R156 | F152-R154 PolarHBondContact O-N 3.02Å; R154-R156 VanDerWaalsContact C-N 3.26Å; R154-R156 PolarHBondContact O-N 2.96Å | ||
| 155 | K | 51 | Low | 57 | Low | 203 Ų | 203 | 159.1 Ų | 159.1 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -60.3 | 99.7 | 168.4 | -150.3 | 177.8 | -171.3 | -179.6 | 0 | 104.1 | K153 S157 | K153-K155 PolarHBondContact O-N 2.69Å; K155-S157 PolarHBondContact O-N 3.37Å | ||
| 156 | R | 53.8 | Low | 55.7 | Low | 229 Ų | 229 | 161.6 Ų | 161.6 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -58.3 | 104.5 | 178.9 | -169 | 175.5 | -170.2 | 164.5 | 2 | 105.1 | R154 Q158 | R154-R156 VanDerWaalsContact C-N 3.26Å; R154-R156 PolarHBondContact O-N 2.96Å; R156-Q158 VanDerWaalsContact C-N 3.27Å; R156-Q158 PolarHBondContact O-N 3.38Å | ||
| 157 | S | 58.5 | Low | 54.2 | Low | 108 Ų | 108 | 163.5 Ų | 163.5 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -64.6 | 96.8 | 174.4 | 60.3 | 0 | 0 | 0 | 0 | 106 | K155 S159 | K155-S157 PolarHBondContact O-N 3.37Å; S157-S159 PolarHBondContact O-N 3.35Å | ||
| 158 | Q | 58.6 | Low | 53 | Low | 179 Ų | 179 | 165.7 Ų | 165.7 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -64.5 | 94.8 | 162.5 | -80.9 | -174.8 | -12.5 | 0 | 0 | 105.5 | R156 Q160 | R156-Q158 VanDerWaalsContact C-N 3.27Å; R156-Q158 PolarHBondContact O-N 3.38Å; Q158-Q160 PolarHBondContact O-N 2.94Å | ||
| 159 | S | 53.7 | Low | 52.6 | Low | 93 Ų | 93 | 170.5 Ų | 170.5 | 65% | 0.65 | 83% | 0.833 | S | S | * | * | trans | -61.2 | 105.5 | 160.8 | 59.4 | 0 | 0 | 0 | 0 | 105.8 | S157 R161 | S157-S159 PolarHBondContact O-N 3.35Å; S159-R161 VanDerWaalsContact C-N 3.26Å; S159-R161 PolarHBondContact O-N 3.46Å | ||
| 160 | Q | 56.5 | Low | 52.5 | Low | 167 Ų | 167 | 174 Ų | 174 | 78% | 0.78 | 84% | 0.839 | S | S | * | * | trans | -60.1 | 98.6 | 161.7 | -82.4 | 179.1 | -21.8 | 0 | 0 | 106.3 | Q158 R162 | Q158-Q160 PolarHBondContact O-N 2.94Å; Q160-R162 PolarHBondContact O-N 2.63Å | ||
| 161 | R | 57.1 | Low | 52.6 | Low | 227 Ų | 227 | 176.3 Ų | 176.3 | 86% | 0.857 | 84% | 0.837 | S | S | * | * | trans | -63.2 | 95.2 | 162.2 | -75 | -174.5 | 176.9 | -175 | -1.2 | 105.6 | S159 C163 | S159-R161 VanDerWaalsContact C-N 3.26Å; S159-R161 PolarHBondContact O-N 3.46Å; R161-C163 PolarHBondContact O-N 2.79Å | ||
| 162 | R | 52.9 | Low | 52.9 | Low | 224 Ų | 224 | 184 Ų | 184 | 85% | 0.845 | 86% | 0.863 | S | S | * | * | trans | -63.9 | 105 | 164.3 | -75.3 | -172.9 | 176.2 | -170.6 | -1.2 | 106.5 | Q160 K164 | Q160-R162 PolarHBondContact O-N 2.63Å; R162-K164 PolarHBondContact O-N 3.32Å | ||
| 163 | C | 52.4 | Low | 53.3 | Low | 117 Ų | 117 | 182.3 Ų | 182.3 | 79% | 0.791 | 86% | 0.86 | S | S | * | * | trans | -57.5 | 124.6 | 161.3 | -67.2 | 0 | 0 | 0 | 0 | 107.4 | R161 | R161-C163 PolarHBondContact O-N 2.79Š| ||
| 164 | K | 47.7 | Very low | 53.6 | Low | 207 Ų | 207 | 182.4 Ų | 182.4 | 90% | 0.9 | 87% | 0.866 | S | S | * | * | trans | -81.5 | 114.1 | 164.1 | -75.2 | -178.8 | 173.7 | -177.5 | 0 | 106.4 | R162 | R162-K164 PolarHBondContact O-N 3.32Š| ||
| 165 | C | 48.1 | Very low | 53.7 | Low | 198 Ų | 198 | 177.5 Ų | 177.5 | 100% | 1.338 | 86% | 0.864 | S | S | * | * | trans | -91.6 | 0 | 153.8 | -62.7 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 165 of 165 residues in 133.2 ms
(Link to these results)