| 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 | 53.3 | Low | 66.2 | Low | 174 Ų | 174 | 119.4 Ų | 119.4 | 86% | 0.857 | 58% | 0.575 | S | S | * | * | 0 | -23.2 | 0 | -67.2 | -155.1 | -179.4 | 0 | 0 | 114.4 | I3 Y5 | M1-I3 PolarHBondContact O-N 3.21Å; M1-Y5 HydrophobicContact CB-CE2 4.2Å; M1-Y5 WeakPolarHBondContact O-CD2 3.4Å | |||
| 2 | H | 53.6 | Low | 66.7 | Low | 164 Ų | 164 | 118.2 Ų | 118.2 | 76% | 0.759 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.5 | -38.5 | -175.2 | -71.6 | -67.2 | 0 | 0 | 0 | 116.1 | Q4 Y5 L6 | H2-Q4 PolarHBondContact O-N 3.42Å; H2-Y5 PolarHBondContact O-N 3.11Å; H2-L6 PolarHBondContact O-N 3.42Å |
| 3 | I | 66 | Low | 67.4 | Low | 143 Ų | 143 | 114 Ų | 114 | 73% | 0.733 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.8 | -32.9 | -177.9 | -64.9 | 165.8 | 0 | 0 | 0 | 112.3 | M1 Y5 L6 F7 | M1-I3 PolarHBondContact O-N 3.21Å; I3-Y5 PolarHBondContact O-N 3.28Å; I3-L6 PolarHBondContact O-N 3.42Å; I3-F7 PolarHBondContact O-N 3.27Å |
| 4 | Q | 54.8 | Low | 67.6 | Low | 100 Ų | 100 | 111.4 Ų | 111.4 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | -179.8 | -71.8 | 175.6 | -30.3 | 0 | 0 | 112.1 | H2 F7 V8 | H2-Q4 PolarHBondContact O-N 3.42Å; Q4-F7 PolarHBondContact O-N 3.5Å; Q4-V8 WeakPolarHBondContact O-CG2 3.45Å; Q4-V8 PolarHBondContact O-N 3.18Å; Q4-V8 VanDerWaalsContact O-N 3.09Å |
| 5 | Y | 64 | Low | 67.7 | Low | 144 Ų | 144 | 111.9 Ų | 111.9 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.4 | -40.3 | 176 | -68.8 | -69.3 | 0 | 0 | 0 | 111.8 | M1 H2 I3 F7 V8 I9 | M1-Y5 HydrophobicContact CB-CE2 4.2Å; M1-Y5 WeakPolarHBondContact O-CD2 3.4Å; H2-Y5 PolarHBondContact O-N 3.11Å; I3-Y5 PolarHBondContact O-N 3.28Å; Y5-F7 PolarHBondContact O-N 2.89Å; Y5-V8 PolarHBondContact O-N 2.94Å; Y5-I9 VanDerWaalsContact O-CB 3.28Å; Y5-I9 WeakPolarHBondContact O-CB 3.23Å; Y5-I9 WeakPolarHBondContact O-CD1 3.48Å; Y5-I9 WeakPolarHBondContact O-CG1 3.44Å; Y5-I9 PolarHBondContact O-N 3Å |
| 6 | L | 70.9 | Confident | 67.4 | Low | 120 Ų | 120 | 107.9 Ų | 107.9 | 63% | 0.628 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58.7 | -38.5 | 176 | -68.5 | 173.6 | 0 | 0 | 0 | 111.5 | H2 I3 F10 | H2-L6 PolarHBondContact O-N 3.42Å; I3-L6 PolarHBondContact O-N 3.42Å; L6-F10 WeakPolarHBondContact O-CB 3.34Å; L6-F10 PolarHBondContact O-N 2.88Å |
| 7 | F | 69.1 | Low | 67.2 | Low | 94 Ų | 94 | 108.1 Ų | 108.1 | 41% | 0.412 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.9 | -43.7 | 179 | -172.2 | -104.3 | 0 | 0 | 0 | 113.2 | I3 Q4 Y5 I9 F10 L11 V49 | I3-F7 PolarHBondContact O-N 3.27Å; Q4-F7 PolarHBondContact O-N 3.5Å; Y5-F7 PolarHBondContact O-N 2.89Å; F7-I9 VanDerWaalsContact C-N 3.35Å; F7-F10 WeakPolarHBondContact O-CB 3.34Å; F7-F10 PolarHBondContact O-N 3.42Å; F7-L11 HydrophobicContact CD1-CD1 3.92Å; F7-L11 HydrophobicContact CD1-CG 4.37Å; F7-L11 HydrophobicContact CE1-CD1 3.39Å; F7-L11 HydrophobicContact CE1-CG 4.01Å; F7-L11 HydrophobicContact CZ-CD1 3.87Å; F7-L11 HydrophobicContact CZ-CD2 4.28Å; F7-L11 HydrophobicContact CZ-CG 4.12Å; F7-L11 WeakPolarHBondContact O-CG 3.32Å; F7-L11 PolarHBondContact O-N 3.37Å; F7-V49 HydrophobicContact CE1-CG1 4.18Å; F7-V49 HydrophobicContact CE1-CG2 4.12Å; F7-V49 HydrophobicContact CZ-CG2 4.4Å |
| 8 | V | 69.5 | Low | 66.5 | Low | 74 Ų | 74 | 106.6 Ų | 106.6 | 45% | 0.448 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 175.3 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | Q4 Y5 F10 L11 I12 | Q4-V8 WeakPolarHBondContact O-CG2 3.45Å; Q4-V8 PolarHBondContact O-N 3.18Å; Q4-V8 VanDerWaalsContact O-N 3.09Å; Y5-V8 PolarHBondContact O-N 2.94Å; V8-F10 VanDerWaalsContact C-N 3.3Å; V8-F10 PolarHBondContact O-N 3.42Å; V8-L11 PolarHBondContact O-N 3.41Å; V8-I12 HydrophobicContact CG1-CD1 3.66Å; V8-I12 HydrophobicContact CG1-CG1 4.35Å; V8-I12 WeakPolarHBondContact O-CB 3.25Å; V8-I12 VanDerWaalsContact O-CG1 3.26Å; V8-I12 WeakPolarHBondContact O-CG1 3.36Å; V8-I12 PolarHBondContact O-N 3.3Å |
| 9 | I | 74.9 | Confident | 66 | Low | 97 Ų | 97 | 106.4 Ų | 106.4 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.6 | -41.2 | 174.3 | -67.7 | 165.5 | 0 | 0 | 0 | 110 | Y5 F7 I12 T13 | Y5-I9 VanDerWaalsContact O-CB 3.28Å; Y5-I9 WeakPolarHBondContact O-CB 3.23Å; Y5-I9 WeakPolarHBondContact O-CD1 3.48Å; Y5-I9 WeakPolarHBondContact O-CG1 3.44Å; Y5-I9 PolarHBondContact O-N 3Å; F7-I9 VanDerWaalsContact C-N 3.35Å; I9-I12 PolarHBondContact O-N 2.92Å; I9-T13 WeakPolarHBondContact O-CB 3.09Å; I9-T13 PolarHBondContact O-N 2.97Å; I9-T13 PolarHBondContact O-OG1 3.01Å |
| 10 | F | 77.7 | Confident | 65.1 | Low | 120 Ų | 120 | 109.4 Ų | 109.4 | 53% | 0.526 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.1 | -44.5 | 177.6 | -178.8 | -104.6 | 0 | 0 | 0 | 112 | L6 F7 V8 T13 L14 | L6-F10 WeakPolarHBondContact O-CB 3.34Å; L6-F10 PolarHBondContact O-N 2.88Å; F7-F10 WeakPolarHBondContact O-CB 3.34Å; F7-F10 PolarHBondContact O-N 3.42Å; V8-F10 VanDerWaalsContact C-N 3.3Å; V8-F10 PolarHBondContact O-N 3.42Å; F10-T13 PolarHBondContact O-N 3.37Å; F10-L14 HydrophobicContact CD1-CD1 3.8Å; F10-L14 HydrophobicContact CD1-CG 4.47Å; F10-L14 HydrophobicContact CE1-CD1 3.32Å; F10-L14 HydrophobicContact CE1-CG 4.14Å; F10-L14 HydrophobicContact CE2-CD1 4.47Å; F10-L14 HydrophobicContact CE2-CG 4.48Å; F10-L14 HydrophobicContact CZ-CD1 3.7Å; F10-L14 HydrophobicContact CZ-CD2 4.48Å; F10-L14 HydrophobicContact CZ-CG 4.13Å; F10-L14 WeakPolarHBondContact O-CB 3.33Å; F10-L14 WeakPolarHBondContact O-CG 3.3Å; F10-L14 PolarHBondContact O-N 3.48Å |
| 11 | L | 74.9 | Confident | 64.3 | Low | 83 Ų | 83 | 106.7 Ų | 106.7 | 44% | 0.435 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.6 | -43.5 | 176.4 | -71.5 | 179.4 | 0 | 0 | 0 | 112.5 | F7 V8 T13 L14 D15 | F7-L11 HydrophobicContact CD1-CD1 3.92Å; F7-L11 HydrophobicContact CD1-CG 4.37Å; F7-L11 HydrophobicContact CE1-CD1 3.39Å; F7-L11 HydrophobicContact CE1-CG 4.01Å; F7-L11 HydrophobicContact CZ-CD1 3.87Å; F7-L11 HydrophobicContact CZ-CD2 4.28Å; F7-L11 HydrophobicContact CZ-CG 4.12Å; F7-L11 WeakPolarHBondContact O-CG 3.32Å; F7-L11 PolarHBondContact O-N 3.37Å; V8-L11 PolarHBondContact O-N 3.41Å; L11-T13 VanDerWaalsContact C-N 3.33Å; L11-L14 PolarHBondContact O-N 2.8Å; L11-D15 WeakPolarHBondContact O-CB 3.27Å; L11-D15 PolarHBondContact O-N 2.85Å |
| 12 | I | 72.5 | Confident | 64.2 | Low | 105 Ų | 105 | 107.6 Ų | 107.6 | 54% | 0.538 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.4 | -40.2 | 175.8 | -67.2 | 169.1 | 0 | 0 | 0 | 110.3 | V8 I9 D15 A16 | V8-I12 HydrophobicContact CG1-CD1 3.66Å; V8-I12 HydrophobicContact CG1-CG1 4.35Å; V8-I12 WeakPolarHBondContact O-CB 3.25Å; V8-I12 VanDerWaalsContact O-CG1 3.26Å; V8-I12 WeakPolarHBondContact O-CG1 3.36Å; V8-I12 PolarHBondContact O-N 3.3Å; I9-I12 PolarHBondContact O-N 2.92Å; I12-D15 PolarHBondContact O-N 3.1Å; I12-A16 WeakPolarHBondContact O-CB 3.5Å; I12-A16 PolarHBondContact O-N 2.91Å |
| 13 | T | 74.7 | Confident | 63.9 | Low | 64 Ų | 64 | 108.3 Ų | 108.3 | 39% | 0.393 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.6 | -41.9 | 176.5 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | I9 F10 L11 A16 I17 | I9-T13 WeakPolarHBondContact O-CB 3.09Å; I9-T13 PolarHBondContact O-N 2.97Å; I9-T13 PolarHBondContact O-OG1 3.01Å; F10-T13 PolarHBondContact O-N 3.37Å; L11-T13 VanDerWaalsContact C-N 3.33Å; T13-A16 PolarHBondContact O-N 3.41Å; T13-I17 HydrophobicContact CG2-CD1 3.61Å; T13-I17 HydrophobicContact CG2-CG1 4.2Å; T13-I17 VanDerWaalsContact O-CB 3.29Å; T13-I17 WeakPolarHBondContact O-CB 3.36Å; T13-I17 WeakPolarHBondContact O-CD1 3.4Å; T13-I17 WeakPolarHBondContact O-CG1 3.23Å; T13-I17 PolarHBondContact O-N 3.23Å |
| 14 | L | 70.6 | Confident | 63.2 | Low | 77 Ų | 77 | 104 Ų | 104 | 40% | 0.403 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.3 | -46.6 | 173.7 | -82.4 | 174.1 | 0 | 0 | 0 | 111.8 | F10 L11 I17 S18 | F10-L14 HydrophobicContact CD1-CD1 3.8Å; F10-L14 HydrophobicContact CD1-CG 4.47Å; F10-L14 HydrophobicContact CE1-CD1 3.32Å; F10-L14 HydrophobicContact CE1-CG 4.14Å; F10-L14 HydrophobicContact CE2-CD1 4.47Å; F10-L14 HydrophobicContact CE2-CG 4.48Å; F10-L14 HydrophobicContact CZ-CD1 3.7Å; F10-L14 HydrophobicContact CZ-CD2 4.48Å; F10-L14 HydrophobicContact CZ-CG 4.13Å; F10-L14 WeakPolarHBondContact O-CB 3.33Å; F10-L14 WeakPolarHBondContact O-CG 3.3Å; F10-L14 PolarHBondContact O-N 3.48Å; L11-L14 PolarHBondContact O-N 2.8Å; L14-I17 PolarHBondContact O-N 3.27Å; L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.13Å; L14-S18 PolarHBondContact O-N 2.85Å; L14-S18 PolarHBondContact O-OG 2.77Å |
| 15 | D | 69.3 | Low | 63.2 | Low | 120 Ų | 120 | 102.1 Ų | 102.1 | 64% | 0.642 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.5 | -40.7 | 178.8 | -164.8 | 52.4 | 0 | 0 | 0 | 111.5 | L11 I12 S18 S19 | L11-D15 WeakPolarHBondContact O-CB 3.27Å; L11-D15 PolarHBondContact O-N 2.85Å; I12-D15 PolarHBondContact O-N 3.1Å; D15-S18 CarbonylContact O-C 3.59Å; D15-S18 WeakPolarHBondContact O-CB 3.29Å; D15-S18 PolarHBondContact O-N 3.44Å; D15-S19 VanDerWaalsContact O-CB 3.29Å; D15-S19 WeakPolarHBondContact O-CB 3.49Å; D15-S19 PolarHBondContact O-N 3.15Å |
| 16 | A | 63.6 | Low | 63.2 | Low | 47 Ų | 47 | 97.5 Ų | 97.5 | 39% | 0.388 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.1 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I12 T13 S18 S19 Q20 | I12-A16 WeakPolarHBondContact O-CB 3.5Å; I12-A16 PolarHBondContact O-N 2.91Å; T13-A16 PolarHBondContact O-N 3.41Å; A16-S18 VanDerWaalsContact C-N 3.28Å; A16-S18 PolarHBondContact O-N 3.23Å; A16-S19 PolarHBondContact O-N 3.48Å; A16-Q20 WeakPolarHBondContact O-CB 3.41Å; A16-Q20 PolarHBondContact O-N 3.05Å |
| 17 | I | 64 | Low | 63.3 | Low | 111 Ų | 111 | 98.9 Ų | 98.9 | 57% | 0.569 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.6 | -39.3 | 171.6 | -69.7 | 167.1 | 0 | 0 | 0 | 109.9 | T13 L14 S19 | T13-I17 HydrophobicContact CG2-CD1 3.61Å; T13-I17 HydrophobicContact CG2-CG1 4.2Å; T13-I17 VanDerWaalsContact O-CB 3.29Å; T13-I17 WeakPolarHBondContact O-CB 3.36Å; T13-I17 WeakPolarHBondContact O-CD1 3.4Å; T13-I17 WeakPolarHBondContact O-CG1 3.23Å; T13-I17 PolarHBondContact O-N 3.23Å; L14-I17 PolarHBondContact O-N 3.27Å; I17-S19 VanDerWaalsContact C-N 3.33Å; I17-S19 PolarHBondContact O-N 3.5Å |
| 18 | S | 54.6 | Low | 63.6 | Low | 82 Ų | 82 | 100.6 Ų | 100.6 | 57% | 0.573 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.3 | -33.6 | 176.9 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | L14 D15 A16 | L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.13Å; L14-S18 PolarHBondContact O-N 2.85Å; L14-S18 PolarHBondContact O-OG 2.77Å; D15-S18 CarbonylContact O-C 3.59Å; D15-S18 WeakPolarHBondContact O-CB 3.29Å; D15-S18 PolarHBondContact O-N 3.44Å; A16-S18 VanDerWaalsContact C-N 3.28Å; A16-S18 PolarHBondContact O-N 3.23Å |
| 19 | S | 56.1 | Low | 63.6 | Low | 102 Ų | 102 | 102.1 Ų | 102.1 | 71% | 0.713 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -84.1 | -35.8 | -177.9 | -170.5 | 0 | 0 | 0 | 0 | 113.2 | D15 A16 I17 | D15-S19 VanDerWaalsContact O-CB 3.29Å; D15-S19 WeakPolarHBondContact O-CB 3.49Å; D15-S19 PolarHBondContact O-N 3.15Å; A16-S19 PolarHBondContact O-N 3.48Å; I17-S19 VanDerWaalsContact C-N 3.33Å; I17-S19 PolarHBondContact O-N 3.5Å |
| 20 | Q | 48.8 | Very low | 63.7 | Low | 167 Ų | 167 | 101.5 Ų | 101.5 | 78% | 0.78 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -104.4 | 76.4 | -178.5 | -70.5 | -170.5 | -16 | 0 | 0 | 112.1 | A16 | A16-Q20 WeakPolarHBondContact O-CB 3.41Å; A16-Q20 PolarHBondContact O-N 3.05Å |
| 21 | G | 47.5 | Very low | 63.6 | Low | 52 Ų | 52 | 100.8 Ų | 100.8 | 54% | 0.536 | 56% | 0.557 | S | S | . | * | S | Bend | trans | 103.7 | 114.3 | 149.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | H23 | G21-H23 PolarHBondContact O-N 2.92Å; G21-H23 VanDerWaalsContact O-N 3.14Å |
| 22 | H | 51.1 | Low | 63.8 | Low | 194 Ų | 194 | 102.6 Ų | 102.6 | 90% | 0.898 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 52.1 | 50.3 | 133.9 | -76.9 | 54.9 | 0 | 0 | 0 | 117 | ||
| 23 | H | 47.6 | Very low | 64 | Low | 178 Ų | 178 | 102.1 Ų | 102.1 | 82% | 0.824 | 56% | 0.555 | S | S | * | * | trans | 172.1 | 91.5 | 136.1 | -103.4 | -69.4 | 0 | 0 | 0 | 103.4 | G21 | G21-H23 PolarHBondContact O-N 2.92Å; G21-H23 VanDerWaalsContact O-N 3.14Å | ||
| 24 | G | 51.5 | Low | 64.2 | Low | 54 Ų | 54 | 103.9 Ų | 103.9 | 56% | 0.557 | 56% | 0.559 | S | S | * | * | trans | -49.6 | 150.3 | 157 | 0 | 0 | 0 | 0 | 0 | 108 | S26 | G24-S26 PolarHBondContact O-N 3.32Å; G24-S26 VanDerWaalsContact O-N 3.15Å | ||
| 25 | P | 54.8 | Low | 64.6 | Low | 59 Ų | 59 | 106.6 Ų | 106.6 | 38% | 0.383 | 57% | 0.57 | S | S | . | * | trans | -43.8 | 131.3 | 176.3 | 15.8 | -28.9 | 0 | 0 | 0 | 108.5 | E29 L30 | P25-E29 WeakPolarHBondContact CA-OE2 3.47Å; P25-E29 HydrophobicContact CB-CB 3.54Å; P25-L30 HydrophobicContact CB-CD2 4.44Å; P25-L30 HydrophobicContact CB-CG 4.11Å; P25-L30 HydrophobicContact CG-CD2 3.66Å; P25-L30 HydrophobicContact CG-CG 3.78Å | ||
| 26 | S | 64 | Low | 65.1 | Low | 48 Ų | 48 | 105.2 Ų | 105.2 | 34% | 0.336 | 56% | 0.561 | S | S | . | * | trans | -46.9 | 152.9 | 174.1 | 55.7 | 0 | 0 | 0 | 0 | 109.4 | G24 E28 E29 L30 | G24-S26 PolarHBondContact O-N 3.32Å; G24-S26 VanDerWaalsContact O-N 3.15Å; S26-E28 PolarHBondContact O-N 2.79Å; S26-E29 PolarHBondContact N-OE2 2.94Å; S26-E29 WeakPolarHBondContact O-CA 3.3Å; S26-E29 PolarHBondContact O-N 3.38Å; S26-E29 VanDerWaalsContact OG-CG 3.27Å; S26-E29 WeakPolarHBondContact OG-CG 3.42Å; S26-E29 PolarHBondContact OG-N 3.45Å; S26-E29 PolarHBondContact OG-OE2 2.9Å; S26-L30 PolarHBondContact O-N 3.45Å | ||
| 27 | E | 72.2 | Confident | 65.7 | Low | 148 Ų | 148 | 105.9 Ų | 105.9 | 69% | 0.692 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -50.9 | -33.2 | 179 | -168.8 | 176.8 | 174.5 | 0 | 0 | 111.7 | Q31 | E27-Q31 VanDerWaalsContact O-CG 3.3Å; E27-Q31 WeakPolarHBondContact O-CG 3.14Å; E27-Q31 PolarHBondContact O-N 3.2Å |
| 28 | E | 75.5 | Confident | 66.5 | Low | 130 Ų | 130 | 104.5 Ų | 104.5 | 61% | 0.607 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.2 | -42.2 | 172.3 | -62.4 | -175.1 | -174.8 | 0 | 0 | 114.2 | S26 Q31 K32 | S26-E28 PolarHBondContact O-N 2.79Å; E28-Q31 PolarHBondContact O-N 2.63Å; E28-K32 WeakPolarHBondContact O-CG 3.26Å; E28-K32 PolarHBondContact O-N 2.76Å |
| 29 | E | 70.7 | Confident | 67.9 | Low | 107 Ų | 107 | 103.4 Ų | 103.4 | 50% | 0.5 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.1 | -36.6 | 177.2 | -75.2 | 167.9 | 129.1 | 0 | 0 | 111.7 | P25 S26 F33 | P25-E29 WeakPolarHBondContact CA-OE2 3.47Å; P25-E29 HydrophobicContact CB-CB 3.54Å; S26-E29 PolarHBondContact N-OE2 2.94Å; S26-E29 WeakPolarHBondContact O-CA 3.3Å; S26-E29 PolarHBondContact O-N 3.38Å; S26-E29 VanDerWaalsContact OG-CG 3.27Å; S26-E29 WeakPolarHBondContact OG-CG 3.42Å; S26-E29 PolarHBondContact OG-N 3.45Å; S26-E29 PolarHBondContact OG-OE2 2.9Å; E29-F33 WeakPolarHBondContact O-CB 3.45Å; E29-F33 PolarHBondContact O-N 3.34Å |
| 30 | L | 75.6 | Confident | 69.2 | Low | 83 Ų | 83 | 107 Ų | 107 | 44% | 0.435 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.2 | -46.9 | 171.2 | -76.6 | 168.2 | 0 | 0 | 0 | 110.9 | P25 S26 F33 E34 | P25-L30 HydrophobicContact CB-CD2 4.44Å; P25-L30 HydrophobicContact CB-CG 4.11Å; P25-L30 HydrophobicContact CG-CD2 3.66Å; P25-L30 HydrophobicContact CG-CG 3.78Å; S26-L30 PolarHBondContact O-N 3.45Å; L30-F33 PolarHBondContact O-N 3.34Å; L30-E34 WeakPolarHBondContact O-CG 3.48Å; L30-E34 PolarHBondContact O-N 3.21Å |
| 31 | Q | 76 | Confident | 70.8 | Confident | 105 Ų | 105 | 106.8 Ų | 106.8 | 49% | 0.491 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.1 | -47.7 | 177.3 | -74.8 | 174.5 | 14 | 0 | 0 | 112 | E27 E28 F33 E34 E35 | E27-Q31 VanDerWaalsContact O-CG 3.3Å; E27-Q31 WeakPolarHBondContact O-CG 3.14Å; E27-Q31 PolarHBondContact O-N 3.2Å; E28-Q31 PolarHBondContact O-N 2.63Å; Q31-F33 PolarHBondContact O-N 3.09Å; Q31-E34 PolarHBondContact O-N 2.83Å; Q31-E34 VanDerWaalsContact O-N 3.15Å; Q31-E35 WeakPolarHBondContact O-CG 3.16Å; Q31-E35 PolarHBondContact O-N 2.85Å |
| 32 | K | 79.7 | Confident | 72.4 | Confident | 121 Ų | 121 | 107.2 Ų | 107.2 | 53% | 0.526 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 175.1 | -73.6 | 173.1 | -173.8 | 168 | 0 | 112 | E28 E35 I36 | E28-K32 WeakPolarHBondContact O-CG 3.26Å; E28-K32 PolarHBondContact O-N 2.76Å; K32-E35 PolarHBondContact O-N 3.33Å; K32-I36 WeakPolarHBondContact O-CD1 3.44Å; K32-I36 VanDerWaalsContact O-CG1 3.24Å; K32-I36 WeakPolarHBondContact O-CG1 3.34Å; K32-I36 PolarHBondContact O-N 3.45Å |
| 33 | F | 76.4 | Confident | 73.8 | Confident | 95 Ų | 95 | 101.3 Ų | 101.3 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.9 | -40.6 | 176.9 | -175.2 | -127.6 | 0 | 0 | 0 | 112.2 | E29 L30 Q31 E35 I36 K37 F42 | E29-F33 WeakPolarHBondContact O-CB 3.45Å; E29-F33 PolarHBondContact O-N 3.34Å; L30-F33 PolarHBondContact O-N 3.34Å; Q31-F33 PolarHBondContact O-N 3.09Å; F33-E35 VanDerWaalsContact C-N 3.33Å; F33-I36 PolarHBondContact O-N 3.49Å; F33-K37 HydrophobicContact CD1-CD 4.45Å; F33-K37 HydrophobicContact CE1-CD 4.27Å; F33-K37 HydrophobicContact CE2-CG 4.49Å; F33-K37 VanDerWaalsContact CZ-CE 3.42Å; F33-K37 HydrophobicContact CZ-CG 4.4Å; F33-K37 WeakPolarHBondContact O-CG 3.4Å; F33-K37 PolarHBondContact O-N 3.44Å; F33-F42 HydrophobicContact CE2-CE2 4.28Å |
| 34 | E | 79.2 | Confident | 75.6 | Confident | 101 Ų | 101 | 99.3 Ų | 99.3 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 173.2 | -69.2 | -54.7 | 135.4 | 0 | 0 | 112 | L30 Q31 K37 A38 | L30-E34 WeakPolarHBondContact O-CG 3.48Å; L30-E34 PolarHBondContact O-N 3.21Å; Q31-E34 PolarHBondContact O-N 2.83Å; Q31-E34 VanDerWaalsContact O-N 3.15Å; E34-K37 WeakPolarHBondContact O-CB 3.29Å; E34-K37 PolarHBondContact O-N 3.14Å; E34-K37 IonicContact OE1-NZ 2.69Å; E34-K37 PolarHBondContact OE1-NZ 2.84Å; E34-K37 IonicContact OE2-NZ 3.95Å; E34-A38 PolarHBondContact O-N 3.31Å |
| 35 | E | 79.2 | Confident | 77 | Confident | 134 Ų | 134 | 99.2 Ų | 99.2 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.4 | -45.6 | 171.8 | -72 | 176.2 | -173.5 | 0 | 0 | 111.6 | Q31 K32 F33 K37 A38 T39 | Q31-E35 WeakPolarHBondContact O-CG 3.16Å; Q31-E35 PolarHBondContact O-N 2.85Å; K32-E35 PolarHBondContact O-N 3.33Å; F33-E35 VanDerWaalsContact C-N 3.33Å; E35-K37 VanDerWaalsContact C-N 3.32Å; E35-K37 PolarHBondContact O-N 3.48Å; E35-A38 WeakPolarHBondContact O-CB 3.3Å; E35-A38 PolarHBondContact O-N 3.19Å; E35-A38 VanDerWaalsContact O-N 3.14Å; E35-T39 PolarHBondContact O-N 3.32Å |
| 36 | I | 78.3 | Confident | 78.4 | Confident | 91 Ų | 91 | 101.2 Ų | 101.2 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 175.4 | -69.3 | 163.8 | 0 | 0 | 0 | 110.5 | K32 F33 A38 T39 F42 | K32-I36 WeakPolarHBondContact O-CD1 3.44Å; K32-I36 VanDerWaalsContact O-CG1 3.24Å; K32-I36 WeakPolarHBondContact O-CG1 3.34Å; K32-I36 PolarHBondContact O-N 3.45Å; F33-I36 PolarHBondContact O-N 3.49Å; I36-A38 PolarHBondContact O-N 2.66Å; I36-T39 VanDerWaalsContact O-CB 3.32Å; I36-T39 WeakPolarHBondContact O-CB 3.14Å; I36-T39 WeakPolarHBondContact O-CG2 3.28Å; I36-T39 PolarHBondContact O-N 3.26Å; I36-T39 PolarHBondContact O-OG1 3.48Å; I36-F42 HydrophobicContact CG2-CB 4.41Å; I36-F42 HydrophobicContact CG2-CD2 4.11Å; I36-F42 WeakPolarHBondContact O-CB 3.17Å |
| 37 | K | 77 | Confident | 79.4 | Confident | 61 Ų | 61 | 104.3 Ų | 104.3 | 27% | 0.265 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -35 | 175.4 | -75.7 | -178.6 | -169.1 | 164.7 | 0 | 112.4 | F33 E34 E35 T39 F42 Q43 | F33-K37 HydrophobicContact CD1-CD 4.45Å; F33-K37 HydrophobicContact CE1-CD 4.27Å; F33-K37 HydrophobicContact CE2-CG 4.49Å; F33-K37 VanDerWaalsContact CZ-CE 3.42Å; F33-K37 HydrophobicContact CZ-CG 4.4Å; F33-K37 WeakPolarHBondContact O-CG 3.4Å; F33-K37 PolarHBondContact O-N 3.44Å; E34-K37 WeakPolarHBondContact O-CB 3.29Å; E34-K37 PolarHBondContact O-N 3.14Å; E34-K37 IonicContact OE1-NZ 2.69Å; E34-K37 PolarHBondContact OE1-NZ 2.84Å; E34-K37 IonicContact OE2-NZ 3.95Å; E35-K37 VanDerWaalsContact C-N 3.32Å; E35-K37 PolarHBondContact O-N 3.48Å; K37-T39 PolarHBondContact O-N 2.88Å; K37-F42 HydrophobicContact CB-CD1 4.14Å; K37-F42 HydrophobicContact CB-CE1 4.16Å; K37-F42 HydrophobicContact CG-CD1 4.11Å; K37-F42 HydrophobicContact CG-CE1 3.69Å; K37-F42 HydrophobicContact CG-CE2 4.38Å; K37-F42 HydrophobicContact CG-CZ 3.84Å; K37-Q43 PolarHBondContact O-NE2 2.91Å |
| 38 | A | 80.2 | Confident | 80.1 | Confident | 82 Ų | 82 | 104.7 Ų | 104.7 | 68% | 0.678 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.9 | -14.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | E34 E35 I36 | E34-A38 PolarHBondContact O-N 3.31Å; E35-A38 WeakPolarHBondContact O-CB 3.3Å; E35-A38 PolarHBondContact O-N 3.19Å; E35-A38 VanDerWaalsContact O-N 3.14Å; I36-A38 PolarHBondContact O-N 2.66Å |
| 39 | T | 83.8 | Confident | 80.5 | Confident | 60 Ų | 60 | 100.9 Ų | 100.9 | 37% | 0.368 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -67.9 | 143.1 | 177.2 | 71 | 0 | 0 | 0 | 0 | 111.8 | E35 I36 K37 E41 F42 Q43 | E35-T39 PolarHBondContact O-N 3.32Å; I36-T39 VanDerWaalsContact O-CB 3.32Å; I36-T39 WeakPolarHBondContact O-CB 3.14Å; I36-T39 WeakPolarHBondContact O-CG2 3.28Å; I36-T39 PolarHBondContact O-N 3.26Å; I36-T39 PolarHBondContact O-OG1 3.48Å; K37-T39 PolarHBondContact O-N 2.88Å; T39-E41 PolarHBondContact O-N 3.5Å; T39-F42 PolarHBondContact O-N 2.81Å; T39-F42 WeakPolarHBondContact OG1-CB 3.45Å; T39-F42 PolarHBondContact OG1-N 2.9Å; T39-Q43 PolarHBondContact O-N 3.34Å; T39-Q43 VanDerWaalsContact O-N 3.16Å |
| 40 | K | 84.7 | Confident | 81.2 | Confident | 177 Ų | 177 | 100.1 Ų | 100.1 | 77% | 0.77 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.5 | -28.7 | 175 | -69.2 | -178.4 | 178.7 | 178.1 | 0 | 112.5 | K44 | K40-K44 WeakPolarHBondContact O-CB 3.12Å; K40-K44 VanDerWaalsContact O-CG 3.28Å; K40-K44 WeakPolarHBondContact O-CG 3.41Å; K40-K44 PolarHBondContact O-N 3.09Å |
| 41 | E | 80.9 | Confident | 81.7 | Confident | 163 Ų | 163 | 100.8 Ų | 100.8 | 76% | 0.762 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.4 | -44.6 | 179.2 | -64.9 | -172.2 | 169.2 | 0 | 0 | 111.7 | T39 K44 A45 | T39-E41 PolarHBondContact O-N 3.5Å; E41-K44 PolarHBondContact O-N 3.41Å; E41-A45 WeakPolarHBondContact O-CB 3.47Å; E41-A45 PolarHBondContact O-N 3.06Å |
| 42 | F | 82.1 | Confident | 82.3 | Confident | 61 Ų | 61 | 98 Ų | 98 | 27% | 0.268 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 174.3 | -177.2 | -87.5 | 0 | 0 | 0 | 111.5 | F33 I36 K37 T39 K44 A45 K46 | F33-F42 HydrophobicContact CE2-CE2 4.28Å; I36-F42 HydrophobicContact CG2-CB 4.41Å; I36-F42 HydrophobicContact CG2-CD2 4.11Å; I36-F42 WeakPolarHBondContact O-CB 3.17Å; K37-F42 HydrophobicContact CB-CD1 4.14Å; K37-F42 HydrophobicContact CB-CE1 4.16Å; K37-F42 HydrophobicContact CG-CD1 4.11Å; K37-F42 HydrophobicContact CG-CE1 3.69Å; K37-F42 HydrophobicContact CG-CE2 4.38Å; K37-F42 HydrophobicContact CG-CZ 3.84Å; T39-F42 PolarHBondContact O-N 2.81Å; T39-F42 WeakPolarHBondContact OG1-CB 3.45Å; T39-F42 PolarHBondContact OG1-N 2.9Å; F42-K44 PolarHBondContact O-N 3.21Å; F42-A45 PolarHBondContact O-N 3.36Å; F42-K46 HydrophobicContact CE1-CB 4.34Å; F42-K46 HydrophobicContact CE1-CD 4.21Å; F42-K46 VanDerWaalsContact O-CB 3.32Å; F42-K46 WeakPolarHBondContact O-CB 3.47Å; F42-K46 PolarHBondContact O-N 3.21Å |
| 43 | Q | 81 | Confident | 82.5 | Confident | 70 Ų | 70 | 96.5 Ų | 96.5 | 33% | 0.327 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 178.2 | -66.2 | -59.4 | -27.3 | 0 | 0 | 111.8 | K37 T39 A45 K46 E47 | K37-Q43 PolarHBondContact O-NE2 2.91Å; T39-Q43 PolarHBondContact O-N 3.34Å; T39-Q43 VanDerWaalsContact O-N 3.16Å; Q43-A45 VanDerWaalsContact C-N 3.34Å; Q43-A45 PolarHBondContact O-N 3.43Å; Q43-K46 WeakPolarHBondContact O-CB 3.28Å; Q43-K46 PolarHBondContact O-N 3.08Å; Q43-E47 WeakPolarHBondContact O-CB 3.5Å; Q43-E47 WeakPolarHBondContact O-CG 3.32Å; Q43-E47 PolarHBondContact O-N 2.83Å |
| 44 | K | 84.4 | Confident | 83.1 | Confident | 135 Ų | 135 | 94.6 Ų | 94.6 | 59% | 0.587 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.9 | -39.7 | 173.8 | -76.3 | 178 | -179.9 | -176.1 | 0 | 112.8 | K40 E41 F42 K48 | K40-K44 WeakPolarHBondContact O-CB 3.12Å; K40-K44 VanDerWaalsContact O-CG 3.28Å; K40-K44 WeakPolarHBondContact O-CG 3.41Å; K40-K44 PolarHBondContact O-N 3.09Å; E41-K44 PolarHBondContact O-N 3.41Å; F42-K44 PolarHBondContact O-N 3.21Å; K44-K48 WeakPolarHBondContact O-CB 3.29Å; K44-K48 VanDerWaalsContact O-CG 3.3Å; K44-K48 WeakPolarHBondContact O-CG 3.4Å; K44-K48 PolarHBondContact O-N 2.83Å; K44-K48 VanDerWaalsContact O-N 3.11Å |
| 45 | A | 82.2 | Confident | 83.6 | Confident | 53 Ų | 53 | 95 Ų | 95 | 44% | 0.438 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.2 | -43.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E41 F42 Q43 K48 V49 | E41-A45 WeakPolarHBondContact O-CB 3.47Å; E41-A45 PolarHBondContact O-N 3.06Å; F42-A45 PolarHBondContact O-N 3.36Å; Q43-A45 VanDerWaalsContact C-N 3.34Å; Q43-A45 PolarHBondContact O-N 3.43Å; A45-K48 PolarHBondContact O-N 2.9Å; A45-V49 VanDerWaalsContact O-CG2 3.28Å; A45-V49 WeakPolarHBondContact O-CG2 3.36Å; A45-V49 PolarHBondContact O-N 2.86Å |
| 46 | K | 83.5 | Confident | 84.1 | Confident | 101 Ų | 101 | 95.8 Ų | 95.8 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 176.4 | -176.9 | -174 | 174.7 | -172.2 | 0 | 111.6 | F42 Q43 V49 I50 | F42-K46 HydrophobicContact CE1-CB 4.34Å; F42-K46 HydrophobicContact CE1-CD 4.21Å; F42-K46 VanDerWaalsContact O-CB 3.32Å; F42-K46 WeakPolarHBondContact O-CB 3.47Å; F42-K46 PolarHBondContact O-N 3.21Å; Q43-K46 WeakPolarHBondContact O-CB 3.28Å; Q43-K46 PolarHBondContact O-N 3.08Å; K46-V49 PolarHBondContact O-N 3.26Å; K46-I50 HydrophobicContact CD-CD1 4.46Å; K46-I50 HydrophobicContact CG-CD1 3.86Å; K46-I50 WeakPolarHBondContact O-CG1 3.47Å; K46-I50 PolarHBondContact O-N 3.11Å |
| 47 | E | 85.3 | Confident | 84.6 | Confident | 112 Ų | 112 | 96.3 Ų | 96.3 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.6 | -50.9 | 176.6 | -75.7 | 170.8 | -178.5 | 0 | 0 | 111.1 | Q43 V49 I50 D51 | Q43-E47 WeakPolarHBondContact O-CB 3.5Å; Q43-E47 WeakPolarHBondContact O-CG 3.32Å; Q43-E47 PolarHBondContact O-N 2.83Å; E47-V49 VanDerWaalsContact C-N 3.26Å; E47-V49 PolarHBondContact O-N 2.81Å; E47-I50 PolarHBondContact O-N 2.69Å; E47-I50 VanDerWaalsContact O-N 3.09Å; E47-D51 VanDerWaalsContact O-CG 3.29Å; E47-D51 PolarHBondContact O-N 2.8Å |
| 48 | K | 85.8 | Confident | 85.2 | Confident | 156 Ų | 156 | 97.5 Ų | 97.5 | 68% | 0.678 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57 | -38.1 | 177.5 | -76.2 | 179.6 | 179 | -174.9 | 0 | 113.5 | K44 A45 S52 | K44-K48 WeakPolarHBondContact O-CB 3.29Å; K44-K48 VanDerWaalsContact O-CG 3.3Å; K44-K48 WeakPolarHBondContact O-CG 3.4Å; K44-K48 PolarHBondContact O-N 2.83Å; K44-K48 VanDerWaalsContact O-N 3.11Å; A45-K48 PolarHBondContact O-N 2.9Å; K48-S52 VanDerWaalsContact O-CB 3.3Å; K48-S52 WeakPolarHBondContact O-CB 3.44Å; K48-S52 PolarHBondContact O-N 2.76Å; K48-S52 VanDerWaalsContact O-N 3.08Å |
| 49 | V | 83.6 | Confident | 85.7 | Confident | 51 Ų | 51 | 99.9 Ų | 99.9 | 31% | 0.309 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.4 | -44 | 177.7 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | F7 A45 K46 E47 S52 L53 | F7-V49 HydrophobicContact CE1-CG1 4.18Å; F7-V49 HydrophobicContact CE1-CG2 4.12Å; F7-V49 HydrophobicContact CZ-CG2 4.4Å; A45-V49 VanDerWaalsContact O-CG2 3.28Å; A45-V49 WeakPolarHBondContact O-CG2 3.36Å; A45-V49 PolarHBondContact O-N 2.86Å; K46-V49 PolarHBondContact O-N 3.26Å; E47-V49 VanDerWaalsContact C-N 3.26Å; E47-V49 PolarHBondContact O-N 2.81Å; V49-S52 PolarHBondContact O-N 3.46Å; V49-L53 HydrophobicContact CG1-CD1 3.9Å; V49-L53 HydrophobicContact CG1-CG 4.42Å; V49-L53 WeakPolarHBondContact O-CB 3.3Å; V49-L53 VanDerWaalsContact O-CG 3.3Å; V49-L53 WeakPolarHBondContact O-CG 3.48Å; V49-L53 PolarHBondContact O-N 3.46Å |
| 50 | I | 86.7 | Confident | 86 | Confident | 90 Ų | 90 | 102.7 Ų | 102.7 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 177.4 | -70.6 | 170.9 | 0 | 0 | 0 | 110.3 | K46 E47 S52 L53 S54 | K46-I50 HydrophobicContact CD-CD1 4.46Å; K46-I50 HydrophobicContact CG-CD1 3.86Å; K46-I50 WeakPolarHBondContact O-CG1 3.47Å; K46-I50 PolarHBondContact O-N 3.11Å; E47-I50 PolarHBondContact O-N 2.69Å; E47-I50 VanDerWaalsContact O-N 3.09Å; I50-S52 VanDerWaalsContact C-N 3.35Å; I50-S52 PolarHBondContact O-N 3.15Å; I50-L53 PolarHBondContact O-N 3.03Å; I50-L53 VanDerWaalsContact O-N 3.15Å; I50-S54 WeakPolarHBondContact O-CB 3.41Å; I50-S54 PolarHBondContact O-N 3.42Å |
| 51 | D | 86.5 | Confident | 86.1 | Confident | 98 Ų | 98 | 97.1 Ų | 97.1 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 178.7 | -67 | -15.4 | 0 | 0 | 0 | 110.7 | E47 L53 S54 D55 | E47-D51 VanDerWaalsContact O-CG 3.29Å; E47-D51 PolarHBondContact O-N 2.8Å; D51-L53 VanDerWaalsContact C-N 3.29Å; D51-L53 PolarHBondContact O-N 3.38Å; D51-S54 WeakPolarHBondContact O-CB 3.32Å; D51-S54 PolarHBondContact O-N 3.16Å; D51-D55 PolarHBondContact O-N 3.24Å |
| 52 | S | 88.2 | Confident | 86.5 | Confident | 47 Ų | 47 | 94.3 Ų | 94.3 | 33% | 0.329 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.6 | -33.2 | 178.2 | -178.6 | 0 | 0 | 0 | 0 | 113.1 | K48 V49 I50 R56 | K48-S52 VanDerWaalsContact O-CB 3.3Å; K48-S52 WeakPolarHBondContact O-CB 3.44Å; K48-S52 PolarHBondContact O-N 2.76Å; K48-S52 VanDerWaalsContact O-N 3.08Å; V49-S52 PolarHBondContact O-N 3.46Å; I50-S52 VanDerWaalsContact C-N 3.35Å; I50-S52 PolarHBondContact O-N 3.15Å; S52-R56 VanDerWaalsContact O-CG 3.23Å; S52-R56 WeakPolarHBondContact O-CG 3.36Å; S52-R56 PolarHBondContact O-N 2.92Å |
| 53 | L | 84.6 | Confident | 87 | Confident | 88 Ų | 88 | 95.2 Ų | 95.2 | 46% | 0.461 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -74.7 | -40.3 | 175 | -74.1 | 173 | 0 | 0 | 0 | 111.3 | V49 I50 D51 R56 I57 | V49-L53 HydrophobicContact CG1-CD1 3.9Å; V49-L53 HydrophobicContact CG1-CG 4.42Å; V49-L53 WeakPolarHBondContact O-CB 3.3Å; V49-L53 VanDerWaalsContact O-CG 3.3Å; V49-L53 WeakPolarHBondContact O-CG 3.48Å; V49-L53 PolarHBondContact O-N 3.46Å; I50-L53 PolarHBondContact O-N 3.03Å; I50-L53 VanDerWaalsContact O-N 3.15Å; D51-L53 VanDerWaalsContact C-N 3.29Å; D51-L53 PolarHBondContact O-N 3.38Å; L53-R56 PolarHBondContact O-N 2.98Å; L53-I57 VanDerWaalsContact O-CG1 3.27Å; L53-I57 WeakPolarHBondContact O-CG1 3.27Å; L53-I57 PolarHBondContact O-N 2.82Å |
| 54 | S | 88.4 | Confident | 87.3 | Confident | 55 Ų | 55 | 95.3 Ų | 95.3 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.1 | -51.2 | 176.2 | -164 | 0 | 0 | 0 | 0 | 110.8 | I50 D51 R56 I57 D58 | I50-S54 WeakPolarHBondContact O-CB 3.41Å; I50-S54 PolarHBondContact O-N 3.42Å; D51-S54 WeakPolarHBondContact O-CB 3.32Å; D51-S54 PolarHBondContact O-N 3.16Å; S54-R56 PolarHBondContact O-N 3.19Å; S54-I57 WeakPolarHBondContact O-CB 3.45Å; S54-I57 PolarHBondContact O-N 2.8Å; S54-D58 PolarHBondContact O-N 2.94Å |
| 55 | D | 88.8 | Confident | 87.4 | Confident | 111 Ų | 111 | 95.7 Ų | 95.7 | 59% | 0.594 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -57.4 | -38.8 | 177.8 | -74.7 | -14.3 | 0 | 0 | 0 | 112.3 | D51 K59 | D51-D55 PolarHBondContact O-N 3.24Å; D55-K59 WeakPolarHBondContact O-CB 3.44Å; D55-K59 PolarHBondContact O-N 2.99Å |
| 56 | R | 89.4 | Confident | 87.6 | Confident | 149 Ų | 149 | 102 Ų | 102 | 56% | 0.562 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -70.2 | -38.1 | 178.1 | -74.7 | 177.4 | 71.6 | -171.8 | 1.6 | 111.9 | S52 L53 S54 F60 | S52-R56 VanDerWaalsContact O-CG 3.23Å; S52-R56 WeakPolarHBondContact O-CG 3.36Å; S52-R56 PolarHBondContact O-N 2.92Å; L53-R56 PolarHBondContact O-N 2.98Å; S54-R56 PolarHBondContact O-N 3.19Å; R56-F60 WeakPolarHBondContact O-CB 3.28Å; R56-F60 PolarHBondContact O-N 3.3Å |
| 57 | I | 88.5 | Confident | 87.6 | Confident | 102 Ų | 102 | 104.3 Ų | 104.3 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -48.2 | 175.5 | -69.8 | 164.3 | 0 | 0 | 0 | 109.4 | L53 S54 K59 F60 V61 | L53-I57 VanDerWaalsContact O-CG1 3.27Å; L53-I57 WeakPolarHBondContact O-CG1 3.27Å; L53-I57 PolarHBondContact O-N 2.82Å; S54-I57 WeakPolarHBondContact O-CB 3.45Å; S54-I57 PolarHBondContact O-N 2.8Å; I57-K59 VanDerWaalsContact C-N 3.32Å; I57-K59 PolarHBondContact O-N 3.01Å; I57-F60 WeakPolarHBondContact O-CB 3.45Å; I57-F60 PolarHBondContact O-N 3.36Å; I57-F60 VanDerWaalsContact O-N 3.1Å; I57-V61 HydrophobicContact CG2-CG2 4.15Å; I57-V61 WeakPolarHBondContact O-CB 3.42Å; I57-V61 VanDerWaalsContact O-CG2 3.3Å; I57-V61 WeakPolarHBondContact O-CG2 3.47Å; I57-V61 PolarHBondContact O-N 2.92Å |
| 58 | D | 89.6 | Confident | 87.4 | Confident | 86 Ų | 86 | 105.4 Ų | 105.4 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.4 | -45.9 | 178.9 | -73.1 | -16.7 | 0 | 0 | 0 | 111.2 | S54 F60 V61 L62 | S54-D58 PolarHBondContact O-N 2.94Å; D58-F60 PolarHBondContact O-N 3.39Å; D58-V61 PolarHBondContact O-N 2.89Å; D58-L62 WeakPolarHBondContact O-CB 3.35Å; D58-L62 VanDerWaalsContact O-CG 3.25Å; D58-L62 WeakPolarHBondContact O-CG 3.3Å; D58-L62 PolarHBondContact O-N 2.89Å |
| 59 | K | 92.2 | Very high | 86.3 | Confident | 132 Ų | 132 | 108.7 Ų | 108.7 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.2 | -45.3 | 175.1 | -174.1 | 175.5 | 178.1 | 179.9 | 0 | 112.1 | D55 I57 L62 E63 | D55-K59 WeakPolarHBondContact O-CB 3.44Å; D55-K59 PolarHBondContact O-N 2.99Å; I57-K59 VanDerWaalsContact C-N 3.32Å; I57-K59 PolarHBondContact O-N 3.01Å; K59-L62 PolarHBondContact O-N 3.45Å; K59-E63 WeakPolarHBondContact CE-OE1 3.46Å; K59-E63 WeakPolarHBondContact O-CB 3.42Å; K59-E63 WeakPolarHBondContact O-CG 3.45Å; K59-E63 PolarHBondContact O-N 3.27Å |
| 60 | F | 88.9 | Confident | 86.4 | Confident | 120 Ų | 120 | 111.6 Ų | 111.6 | 53% | 0.526 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 178.1 | 177.8 | -97.7 | 0 | 0 | 0 | 111.5 | R56 I57 D58 E63 Q64 | R56-F60 WeakPolarHBondContact O-CB 3.28Å; R56-F60 PolarHBondContact O-N 3.3Å; I57-F60 WeakPolarHBondContact O-CB 3.45Å; I57-F60 PolarHBondContact O-N 3.36Å; I57-F60 VanDerWaalsContact O-N 3.1Å; D58-F60 PolarHBondContact O-N 3.39Å; F60-E63 PolarHBondContact O-N 3.21Å; F60-Q64 HydrophobicContact CD1-CG 4.24Å; F60-Q64 HydrophobicContact CE1-CG 3.83Å; F60-Q64 HydrophobicContact CE2-CG 4.39Å; F60-Q64 HydrophobicContact CZ-CG 3.92Å; F60-Q64 WeakPolarHBondContact O-CG 3.32Å; F60-Q64 PolarHBondContact O-N 3.26Å |
| 61 | V | 87.5 | Confident | 86.4 | Confident | 60 Ų | 60 | 112.7 Ų | 112.7 | 36% | 0.364 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 178.2 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | I57 D58 E63 Q64 F65 | I57-V61 HydrophobicContact CG2-CG2 4.15Å; I57-V61 WeakPolarHBondContact O-CB 3.42Å; I57-V61 VanDerWaalsContact O-CG2 3.3Å; I57-V61 WeakPolarHBondContact O-CG2 3.47Å; I57-V61 PolarHBondContact O-N 2.92Å; D58-V61 PolarHBondContact O-N 2.89Å; V61-E63 VanDerWaalsContact C-N 3.33Å; V61-E63 PolarHBondContact O-N 3.15Å; V61-Q64 PolarHBondContact O-N 2.94Å; V61-F65 HydrophobicContact CG1-CD2 3.59Å; V61-F65 HydrophobicContact CG1-CE2 3.45Å; V61-F65 VanDerWaalsContact CG1-CE2 3.45Å; V61-F65 VanDerWaalsContact O-CD2 3.23Å; V61-F65 WeakPolarHBondContact O-CD2 3.12Å; V61-F65 PolarHBondContact O-N 3.45Å |
| 62 | L | 89.3 | Confident | 86.4 | Confident | 104 Ų | 104 | 113.6 Ų | 113.6 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 175.9 | -73.8 | 171.4 | 0 | 0 | 0 | 112.6 | D58 K59 F65 R66 | D58-L62 WeakPolarHBondContact O-CB 3.35Å; D58-L62 VanDerWaalsContact O-CG 3.25Å; D58-L62 WeakPolarHBondContact O-CG 3.3Å; D58-L62 PolarHBondContact O-N 2.89Å; K59-L62 PolarHBondContact O-N 3.45Å; L62-F65 PolarHBondContact O-N 3Å; L62-R66 WeakPolarHBondContact O-CG 3.49Å; L62-R66 PolarHBondContact O-N 3Å |
| 63 | E | 92 | Very high | 86.3 | Confident | 80 Ų | 80 | 117.5 Ų | 117.5 | 37% | 0.374 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.8 | -39.7 | 174.8 | -76.1 | 177.6 | -170.3 | 0 | 0 | 112.1 | K59 F60 V61 R66 K67 | K59-E63 WeakPolarHBondContact CE-OE1 3.46Å; K59-E63 WeakPolarHBondContact O-CB 3.42Å; K59-E63 WeakPolarHBondContact O-CG 3.45Å; K59-E63 PolarHBondContact O-N 3.27Å; F60-E63 PolarHBondContact O-N 3.21Å; V61-E63 VanDerWaalsContact C-N 3.33Å; V61-E63 PolarHBondContact O-N 3.15Å; E63-R66 PolarHBondContact O-N 2.82Å; E63-K67 WeakPolarHBondContact O-CG 3.24Å; E63-K67 PolarHBondContact O-N 3.32Å; E63-K67 VanDerWaalsContact O-N 3.11Å |
| 64 | Q | 88.1 | Confident | 86.4 | Confident | 72 Ų | 72 | 119.3 Ų | 119.3 | 34% | 0.336 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.4 | -42.8 | 174.3 | -68.8 | -61.6 | -42.6 | 0 | 0 | 111.8 | F60 V61 R66 K67 N68 | F60-Q64 HydrophobicContact CD1-CG 4.24Å; F60-Q64 HydrophobicContact CE1-CG 3.83Å; F60-Q64 HydrophobicContact CE2-CG 4.39Å; F60-Q64 HydrophobicContact CZ-CG 3.92Å; F60-Q64 WeakPolarHBondContact O-CG 3.32Å; F60-Q64 PolarHBondContact O-N 3.26Å; V61-Q64 PolarHBondContact O-N 2.94Å; Q64-R66 VanDerWaalsContact C-N 3.32Å; Q64-R66 PolarHBondContact O-N 3.33Å; Q64-K67 PolarHBondContact O-N 3.14Å; Q64-N68 PolarHBondContact O-N 2.63Å; Q64-N68 PolarHBondContact O-ND2 3.29Å |
| 65 | F | 86.7 | Confident | 86.3 | Confident | 142 Ų | 142 | 123.6 Ų | 123.6 | 62% | 0.623 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.8 | -41.5 | 174.7 | -87.4 | -70.2 | 0 | 0 | 0 | 112.2 | V61 L62 K67 N68 | V61-F65 HydrophobicContact CG1-CD2 3.59Å; V61-F65 HydrophobicContact CG1-CE2 3.45Å; V61-F65 VanDerWaalsContact CG1-CE2 3.45Å; V61-F65 VanDerWaalsContact O-CD2 3.23Å; V61-F65 WeakPolarHBondContact O-CD2 3.12Å; V61-F65 PolarHBondContact O-N 3.45Å; L62-F65 PolarHBondContact O-N 3Å; F65-K67 PolarHBondContact O-N 3.39Å; F65-N68 PolarHBondContact O-N 3.23Å |
| 66 | R | 86 | Confident | 86.1 | Confident | 186 Ų | 186 | 124.5 Ų | 124.5 | 70% | 0.702 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.7 | -31 | 177.8 | -75.2 | 175.8 | 177.6 | 179.4 | 0.5 | 114 | L62 E63 Q64 | L62-R66 WeakPolarHBondContact O-CG 3.49Å; L62-R66 PolarHBondContact O-N 3Å; E63-R66 PolarHBondContact O-N 2.82Å; Q64-R66 VanDerWaalsContact C-N 3.32Å; Q64-R66 PolarHBondContact O-N 3.33Å |
| 67 | K | 84.5 | Confident | 85.9 | Confident | 149 Ų | 149 | 122.6 Ų | 122.6 | 65% | 0.648 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -77.8 | -24.2 | 178.3 | -75.3 | 177.8 | 179.5 | 179.4 | 0 | 113.3 | E63 Q64 F65 Q69 | E63-K67 WeakPolarHBondContact O-CG 3.24Å; E63-K67 PolarHBondContact O-N 3.32Å; E63-K67 VanDerWaalsContact O-N 3.11Å; Q64-K67 PolarHBondContact O-N 3.14Å; F65-K67 PolarHBondContact O-N 3.39Å; K67-Q69 VanDerWaalsContact C-N 3.33Å |
| 68 | N | 81 | Confident | 85.6 | Confident | 136 Ų | 136 | 124.3 Ų | 124.3 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 3.6 | 178.7 | -67.3 | -27.7 | 0 | 0 | 0 | 112.9 | Q64 F65 | Q64-N68 PolarHBondContact O-N 2.63Å; Q64-N68 PolarHBondContact O-ND2 3.29Å; F65-N68 PolarHBondContact O-N 3.23Å |
| 69 | Q | 62.1 | Low | 85.3 | Confident | 225 Ų | 225 | 127.8 Ų | 127.8 | 100% | 1.051 | 59% | 0.588 | S | S | * | * | trans | -101.9 | 0 | 165.6 | -72.9 | -167.4 | -31.2 | 0 | 0 | 109.6 | K67 | K67-Q69 VanDerWaalsContact C-N 3.33Š|
Retrieved 69 of 69 residues in 102.3 ms
(Link to these results)