| 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 | 56.4 | Low | 80.4 | Confident | 174 Ų | 174 | 127.4 Ų | 127.4 | 86% | 0.857 | 61% | 0.605 | S | S | * | * | 0 | 116.1 | 0 | -170.5 | 161 | 73 | 0 | 0 | 109.1 | K6 | M1-K6 HydrophobicContact CE-CD 4.15Å; M1-K6 HydrophobicContact CE-CG 3.88Å | |||
| 2 | N | 80.2 | Confident | 80.6 | Confident | 131 Ų | 131 | 125.1 Ų | 125.1 | 70% | 0.701 | 60% | 0.597 | S | S | * | * | trans | -58.4 | 130.7 | -170.7 | -111.2 | -36.9 | 0 | 0 | 0 | 112.6 | K4 L5 K6 | N2-K4 PolarHBondContact O-N 3.07Å; N2-L5 HydrophobicContact CB-CB 4.46Å; N2-L5 WeakPolarHBondContact O-CB 3.47Å; N2-L5 PolarHBondContact O-N 3.28Å; N2-K6 PolarHBondContact O-N 2.94Å | ||
| 3 | V | 83.7 | Confident | 80.8 | Confident | 112 Ų | 112 | 122.5 Ų | 122.5 | 68% | 0.679 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -55.3 | -39 | -179.7 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | L5 K6 L7 | V3-L5 VanDerWaalsContact C-N 3.31Å; V3-L5 PolarHBondContact O-N 3.01Å; V3-K6 PolarHBondContact O-N 3.41Å; V3-L7 PolarHBondContact O-N 3.45Å |
| 4 | K | 83 | Confident | 80.7 | Confident | 171 Ų | 171 | 115.4 Ų | 115.4 | 74% | 0.743 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -56.3 | -42.5 | 176.3 | -65.6 | -172.7 | 178.8 | -177.2 | 0 | 112.7 | N2 L7 Q8 | N2-K4 PolarHBondContact O-N 3.07Å; K4-L7 PolarHBondContact O-N 3.49Å; K4-Q8 WeakPolarHBondContact O-CG 3.45Å; K4-Q8 PolarHBondContact O-N 3Å |
| 5 | L | 83.8 | Confident | 80.6 | Confident | 80 Ų | 80 | 112.7 Ų | 112.7 | 42% | 0.419 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.8 | -38.2 | -179.1 | -161.9 | 87.7 | 0 | 0 | 0 | 111.5 | N2 V3 K9 | N2-L5 HydrophobicContact CB-CB 4.46Å; N2-L5 WeakPolarHBondContact O-CB 3.47Å; N2-L5 PolarHBondContact O-N 3.28Å; V3-L5 VanDerWaalsContact C-N 3.31Å; V3-L5 PolarHBondContact O-N 3.01Å; L5-K9 WeakPolarHBondContact O-CG 3.25Å; L5-K9 PolarHBondContact O-N 3.46Å; L5-K9 VanDerWaalsContact O-N 3.07Å |
| 6 | K | 84.1 | Confident | 80.7 | Confident | 124 Ų | 124 | 113.9 Ų | 113.9 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.2 | -44.4 | 174.4 | -77.8 | -174.1 | 175.7 | -176.3 | 0 | 111 | M1 N2 V3 K9 F10 | M1-K6 HydrophobicContact CE-CD 4.15Å; M1-K6 HydrophobicContact CE-CG 3.88Å; N2-K6 PolarHBondContact O-N 2.94Å; V3-K6 PolarHBondContact O-N 3.41Å; K6-K9 PolarHBondContact O-N 3.48Å; K6-F10 WeakPolarHBondContact O-CB 3.35Å; K6-F10 PolarHBondContact O-N 3.35Å |
| 7 | L | 81.5 | Confident | 80.9 | Confident | 101 Ų | 101 | 115.6 Ų | 115.6 | 53% | 0.529 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.8 | -45.2 | -179.5 | -140.6 | 99.4 | 0 | 0 | 0 | 111.6 | V3 K4 K9 F10 W11 | V3-L7 PolarHBondContact O-N 3.45Å; K4-L7 PolarHBondContact O-N 3.49Å; L7-K9 PolarHBondContact O-N 3.39Å; L7-F10 WeakPolarHBondContact O-CB 3.48Å; L7-F10 PolarHBondContact O-N 3.34Å; L7-W11 PolarHBondContact O-N 3.49Å |
| 8 | Q | 83.8 | Confident | 80.9 | Confident | 120 Ų | 120 | 115.7 Ų | 115.7 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.8 | -47.1 | 177 | -75.7 | 177.5 | -32.7 | 0 | 0 | 111.8 | K4 F10 W11 I12 | K4-Q8 WeakPolarHBondContact O-CG 3.45Å; K4-Q8 PolarHBondContact O-N 3Å; Q8-F10 VanDerWaalsContact C-N 3.31Å; Q8-F10 PolarHBondContact O-N 3.49Å; Q8-W11 PolarHBondContact O-N 3.38Å; Q8-I12 WeakPolarHBondContact O-CD1 3.48Å; Q8-I12 VanDerWaalsContact O-CG1 3.25Å; Q8-I12 WeakPolarHBondContact O-CG1 3.42Å; Q8-I12 PolarHBondContact O-N 3Å |
| 9 | K | 84.4 | Confident | 80.8 | Confident | 129 Ų | 129 | 113.8 Ų | 113.8 | 56% | 0.561 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.7 | -40.7 | 176.3 | -76.7 | -175.2 | 175.7 | -172.5 | 0 | 112.1 | L5 K6 L7 I12 T13 | L5-K9 WeakPolarHBondContact O-CG 3.25Å; L5-K9 PolarHBondContact O-N 3.46Å; L5-K9 VanDerWaalsContact O-N 3.07Å; K6-K9 PolarHBondContact O-N 3.48Å; L7-K9 PolarHBondContact O-N 3.39Å; K9-I12 PolarHBondContact O-N 3.04Å; K9-T13 PolarHBondContact O-N 3.49Å; K9-T13 PolarHBondContact O-OG1 3.44Å |
| 10 | F | 84.2 | Confident | 80.8 | Confident | 141 Ų | 141 | 114.8 Ų | 114.8 | 62% | 0.618 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.1 | -47.5 | 176.1 | 178.3 | -95.6 | 0 | 0 | 0 | 111.8 | K6 L7 Q8 T13 A14 | K6-F10 WeakPolarHBondContact O-CB 3.35Å; K6-F10 PolarHBondContact O-N 3.35Å; L7-F10 WeakPolarHBondContact O-CB 3.48Å; L7-F10 PolarHBondContact O-N 3.34Å; Q8-F10 VanDerWaalsContact C-N 3.31Å; Q8-F10 PolarHBondContact O-N 3.49Å; F10-T13 PolarHBondContact O-N 3.05Å; F10-A14 WeakPolarHBondContact O-CB 3.45Å; F10-A14 PolarHBondContact O-N 3.01Å |
| 11 | W | 79.3 | Confident | 80.7 | Confident | 118 Ų | 118 | 113.4 Ų | 113.4 | 45% | 0.447 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.9 | -42.4 | 177.9 | -81.1 | 111.6 | 0 | 0 | 0 | 112.7 | L7 Q8 T13 A14 L15 V25 | L7-W11 PolarHBondContact O-N 3.49Å; Q8-W11 PolarHBondContact O-N 3.38Å; W11-T13 PolarHBondContact O-N 3.34Å; W11-A14 PolarHBondContact O-N 3.29Å; W11-L15 WeakPolarHBondContact O-CB 3.4Å; W11-L15 PolarHBondContact O-N 3.02Å; W11-V25 HydrophobicContact CZ3-CG2 4.36Å |
| 12 | I | 83.1 | Confident | 81.7 | Confident | 100 Ų | 100 | 108.4 Ų | 108.4 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -47 | 176.4 | -68.3 | 161.7 | 0 | 0 | 0 | 110.5 | Q8 K9 A14 L15 N16 | Q8-I12 WeakPolarHBondContact O-CD1 3.48Å; Q8-I12 VanDerWaalsContact O-CG1 3.25Å; Q8-I12 WeakPolarHBondContact O-CG1 3.42Å; Q8-I12 PolarHBondContact O-N 3Å; K9-I12 PolarHBondContact O-N 3.04Å; I12-A14 PolarHBondContact O-N 3.22Å; I12-L15 PolarHBondContact O-N 3.34Å; I12-N16 WeakPolarHBondContact O-CB 3.48Å; I12-N16 PolarHBondContact O-N 3.34Å |
| 13 | T | 83.4 | Confident | 81.7 | Confident | 92 Ų | 92 | 109.8 Ų | 109.8 | 56% | 0.564 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.2 | -40.8 | 177.9 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | K9 F10 W11 N16 K17 | K9-T13 PolarHBondContact O-N 3.49Å; K9-T13 PolarHBondContact O-OG1 3.44Å; F10-T13 PolarHBondContact O-N 3.05Å; W11-T13 PolarHBondContact O-N 3.34Å; T13-N16 PolarHBondContact O-N 3.24Å; T13-K17 WeakPolarHBondContact O-CB 3.39Å; T13-K17 PolarHBondContact O-N 2.99Å |
| 14 | A | 79.1 | Confident | 81.6 | Confident | 22 Ų | 22 | 109.3 Ų | 109.3 | 18% | 0.182 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F10 W11 I12 K17 Y18 | F10-A14 WeakPolarHBondContact O-CB 3.45Å; F10-A14 PolarHBondContact O-N 3.01Å; W11-A14 PolarHBondContact O-N 3.29Å; I12-A14 PolarHBondContact O-N 3.22Å; A14-K17 PolarHBondContact O-N 2.87Å; A14-Y18 PolarHBondContact O-N 3.21Å |
| 15 | L | 79.7 | Confident | 81.6 | Confident | 76 Ų | 76 | 104.1 Ų | 104.1 | 40% | 0.398 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 177.6 | -137.2 | 77.2 | 0 | 0 | 0 | 111.9 | W11 I12 K17 Y18 P19 V22 | W11-L15 WeakPolarHBondContact O-CB 3.4Å; W11-L15 PolarHBondContact O-N 3.02Å; I12-L15 PolarHBondContact O-N 3.34Å; L15-K17 VanDerWaalsContact C-N 3.32Å; L15-K17 PolarHBondContact O-N 3.31Å; L15-Y18 CarbonylContact O-C 3.25Å; L15-Y18 VanDerWaalsContact O-C 3.25Å; L15-Y18 PolarHBondContact O-N 2.96Å; L15-P19 WeakPolarHBondContact O-CA 3.34Å; L15-V22 HydrophobicContact CD1-CG2 3.51Å; L15-V22 HydrophobicContact CD2-CG2 3.86Å; L15-V22 HydrophobicContact CG-CG2 3.63Å |
| 16 | N | 81.7 | Confident | 81.6 | Confident | 131 Ų | 131 | 103.6 Ų | 103.6 | 70% | 0.701 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.9 | -36.4 | 178.1 | -77.5 | -14.2 | 0 | 0 | 0 | 112 | I12 T13 | I12-N16 WeakPolarHBondContact O-CB 3.48Å; I12-N16 PolarHBondContact O-N 3.34Å; T13-N16 PolarHBondContact O-N 3.24Å |
| 17 | K | 83.9 | Confident | 81.7 | Confident | 144 Ų | 144 | 103.3 Ų | 103.3 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -77.5 | -32.1 | 179 | -168 | 173.4 | 178.9 | -177.6 | 0 | 112.5 | T13 A14 L15 | T13-K17 WeakPolarHBondContact O-CB 3.39Å; T13-K17 PolarHBondContact O-N 2.99Å; A14-K17 PolarHBondContact O-N 2.87Å; L15-K17 VanDerWaalsContact C-N 3.32Å; L15-K17 PolarHBondContact O-N 3.31Å |
| 18 | Y | 81.8 | Confident | 82 | Confident | 117 Ų | 117 | 100.1 Ų | 100.1 | 46% | 0.459 | 50% | 0.5 | S | S | . | . | trans | -136.7 | 83 | -177.9 | -56.4 | -78.6 | 0 | 0 | 0 | 110.8 | A14 L15 H20 F21 | A14-Y18 PolarHBondContact O-N 3.21Å; L15-Y18 CarbonylContact O-C 3.25Å; L15-Y18 VanDerWaalsContact O-C 3.25Å; L15-Y18 PolarHBondContact O-N 2.96Å; Y18-H20 PolarHBondContact O-N 3.29Å; Y18-F21 HydrophobicContact CD2-CD2 4.44Å; Y18-F21 HydrophobicContact CD2-CE2 4.2Å; Y18-F21 HydrophobicContact CG-CD2 4.03Å; Y18-F21 AromaticContact CG-CE2 4Å; Y18-F21 HydrophobicContact CG-CE2 4Å; Y18-F21 WeakPolarHBondContact O-CB 3.43Å; Y18-F21 PolarHBondContact O-N 3.23Å | ||
| 19 | P | 78.2 | Confident | 82.2 | Confident | 79 Ų | 79 | 97.8 Ų | 97.8 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -26.4 | -178.4 | 22.7 | -33.6 | 0 | 0 | 0 | 112.6 | L15 F21 V22 | L15-P19 WeakPolarHBondContact O-CA 3.34Å; P19-F21 VanDerWaalsContact C-N 3.25Å; P19-F21 PolarHBondContact O-N 2.87Å; P19-V22 WeakPolarHBondContact O-CG2 3.41Å; P19-V22 PolarHBondContact O-N 2.91Å |
| 20 | H | 81.5 | Confident | 82.5 | Confident | 133 Ų | 133 | 95.7 Ų | 95.7 | 62% | 0.616 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -17.7 | 177.5 | -58.8 | -68.1 | 0 | 0 | 0 | 114.6 | Y18 V22 Y23 I24 | Y18-H20 PolarHBondContact O-N 3.29Å; H20-V22 PolarHBondContact O-N 3.17Å; H20-Y23 PolarHBondContact O-N 3.03Å; H20-I24 PolarHBondContact O-N 2.99Å |
| 21 | F | 78.6 | Confident | 82.8 | Confident | 86 Ų | 86 | 92.8 Ų | 92.8 | 38% | 0.377 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.2 | -28.5 | 175.5 | -97.2 | -107.2 | 0 | 0 | 0 | 112.3 | Y18 P19 Y23 I24 V25 | Y18-F21 HydrophobicContact CD2-CD2 4.44Å; Y18-F21 HydrophobicContact CD2-CE2 4.2Å; Y18-F21 HydrophobicContact CG-CD2 4.03Å; Y18-F21 AromaticContact CG-CE2 4Å; Y18-F21 HydrophobicContact CG-CE2 4Å; Y18-F21 WeakPolarHBondContact O-CB 3.43Å; Y18-F21 PolarHBondContact O-N 3.23Å; P19-F21 VanDerWaalsContact C-N 3.25Å; P19-F21 PolarHBondContact O-N 2.87Å; F21-Y23 PolarHBondContact O-N 2.96Å; F21-Y23 VanDerWaalsContact O-N 3.17Å; F21-I24 PolarHBondContact O-N 3.05Å; F21-V25 HydrophobicContact CB-CG2 4.5Å; F21-V25 HydrophobicContact CD1-CG2 3.89Å; F21-V25 WeakPolarHBondContact O-CB 3.46Å; F21-V25 VanDerWaalsContact O-CG2 3.28Å; F21-V25 WeakPolarHBondContact O-CG2 3.37Å; F21-V25 PolarHBondContact O-N 3.44Å |
| 22 | V | 77.5 | Confident | 83.3 | Confident | 70 Ų | 70 | 91.2 Ų | 91.2 | 42% | 0.424 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -55.9 | -31.9 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | L15 P19 H20 P26 | L15-V22 HydrophobicContact CD1-CG2 3.51Å; L15-V22 HydrophobicContact CD2-CG2 3.86Å; L15-V22 HydrophobicContact CG-CG2 3.63Å; P19-V22 WeakPolarHBondContact O-CG2 3.41Å; P19-V22 PolarHBondContact O-N 2.91Å; H20-V22 PolarHBondContact O-N 3.17Å; V22-P26 WeakPolarHBondContact O-CD 3.39Å; V22-P26 WeakPolarHBondContact O-CG 3.5Å |
| 23 | Y | 79.2 | Confident | 83.7 | Confident | 159 Ų | 159 | 94.2 Ų | 94.2 | 62% | 0.624 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -91.3 | -38.6 | 179.5 | -56.4 | -71 | 0 | 0 | 0 | 112.5 | H20 F21 L27 | H20-Y23 PolarHBondContact O-N 3.03Å; F21-Y23 PolarHBondContact O-N 2.96Å; F21-Y23 VanDerWaalsContact O-N 3.17Å; Y23-L27 WeakPolarHBondContact O-CD1 2.95Å; Y23-L27 WeakPolarHBondContact O-CG 3.18Å; Y23-L27 PolarHBondContact O-N 3.21Å |
| 24 | I | 82.4 | Confident | 84 | Confident | 103 Ų | 103 | 93.6 Ų | 93.6 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.9 | -39.4 | -176.4 | -61.2 | 170.5 | 0 | 0 | 0 | 111.1 | H20 F21 L27 G28 | H20-I24 PolarHBondContact O-N 2.99Å; F21-I24 PolarHBondContact O-N 3.05Å; I24-L27 PolarHBondContact O-N 2.96Å; I24-G28 PolarHBondContact O-N 2.89Å |
| 25 | V | 82 | Confident | 84.3 | Confident | 62 Ų | 62 | 96.2 Ų | 96.2 | 38% | 0.376 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -48.8 | -175.2 | 171.8 | 0 | 0 | 0 | 0 | 112.1 | W11 F21 L27 G28 S29 | W11-V25 HydrophobicContact CZ3-CG2 4.36Å; F21-V25 HydrophobicContact CB-CG2 4.5Å; F21-V25 HydrophobicContact CD1-CG2 3.89Å; F21-V25 WeakPolarHBondContact O-CB 3.46Å; F21-V25 VanDerWaalsContact O-CG2 3.28Å; F21-V25 WeakPolarHBondContact O-CG2 3.37Å; F21-V25 PolarHBondContact O-N 3.44Å; V25-L27 PolarHBondContact O-N 3.46Å; V25-G28 PolarHBondContact O-N 3.34Å; V25-S29 WeakPolarHBondContact O-CB 3.28Å; V25-S29 PolarHBondContact O-N 3.4Å; V25-S29 PolarHBondContact O-OG 2.81Å |
| 26 | P | 84.7 | Confident | 84.6 | Confident | 68 Ų | 68 | 96.9 Ų | 96.9 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 173.9 | -25.8 | 35.2 | 0 | 0 | 0 | 112.4 | V22 G28 S29 V30 | V22-P26 WeakPolarHBondContact O-CD 3.39Å; V22-P26 WeakPolarHBondContact O-CG 3.5Å; P26-G28 PolarHBondContact O-N 3.47Å; P26-S29 WeakPolarHBondContact CA-OG 3.4Å; P26-S29 PolarHBondContact O-N 3.5Å; P26-S29 PolarHBondContact O-OG 3.32Å; P26-V30 WeakPolarHBondContact O-CG2 3.36Å; P26-V30 PolarHBondContact O-N 3Å |
| 27 | L | 86.9 | Confident | 84.8 | Confident | 118 Ų | 118 | 93.2 Ų | 93.2 | 62% | 0.618 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59 | -46.4 | 178.9 | -73.9 | 171.3 | 0 | 0 | 0 | 111.8 | Y23 I24 V25 S29 V30 C31 | Y23-L27 WeakPolarHBondContact O-CD1 2.95Å; Y23-L27 WeakPolarHBondContact O-CG 3.18Å; Y23-L27 PolarHBondContact O-N 3.21Å; I24-L27 PolarHBondContact O-N 2.96Å; V25-L27 PolarHBondContact O-N 3.46Å; L27-S29 PolarHBondContact O-N 3.41Å; L27-V30 PolarHBondContact O-N 3.43Å; L27-C31 PolarHBondContact O-N 3.45Å; L27-C31 PolarHBondContact O-SG 2.7Å; L27-C31 VanDerWaalsContact O-SG 3.32Å |
| 28 | G | 86.7 | Confident | 84.7 | Confident | 34 Ų | 34 | 93.1 Ų | 93.1 | 35% | 0.351 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I24 V25 P26 V30 C31 V32 | I24-G28 PolarHBondContact O-N 2.89Å; V25-G28 PolarHBondContact O-N 3.34Å; P26-G28 PolarHBondContact O-N 3.47Å; G28-V30 PolarHBondContact O-N 2.98Å; G28-C31 PolarHBondContact O-N 3.18Å; G28-V32 VanDerWaalsContact O-CG2 3.31Å; G28-V32 WeakPolarHBondContact O-CG2 3.3Å; G28-V32 PolarHBondContact O-N 3.5Å |
| 29 | S | 88.7 | Confident | 84.7 | Confident | 71 Ų | 71 | 91.9 Ų | 91.9 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 178.4 | 74.7 | 0 | 0 | 0 | 0 | 112.4 | V25 P26 L27 Y33 | V25-S29 WeakPolarHBondContact O-CB 3.28Å; V25-S29 PolarHBondContact O-N 3.4Å; V25-S29 PolarHBondContact O-OG 2.81Å; P26-S29 WeakPolarHBondContact CA-OG 3.4Å; P26-S29 PolarHBondContact O-N 3.5Å; P26-S29 PolarHBondContact O-OG 3.32Å; L27-S29 PolarHBondContact O-N 3.41Å; S29-Y33 VanDerWaalsContact O-CB 3.29Å; S29-Y33 WeakPolarHBondContact O-CB 3.41Å; S29-Y33 PolarHBondContact O-N 3.43Å |
| 30 | V | 90 | Very high | 84.7 | Confident | 86 Ų | 86 | 92.9 Ų | 92.9 | 52% | 0.521 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | 176.7 | 172.3 | 0 | 0 | 0 | 0 | 110.4 | P26 L27 G28 V32 Y33 V34 | P26-V30 WeakPolarHBondContact O-CG2 3.36Å; P26-V30 PolarHBondContact O-N 3Å; L27-V30 PolarHBondContact O-N 3.43Å; G28-V30 PolarHBondContact O-N 2.98Å; V30-V32 PolarHBondContact O-N 2.89Å; V30-Y33 PolarHBondContact O-N 2.87Å; V30-V34 HydrophobicContact CG1-CG2 4.4Å; V30-V34 VanDerWaalsContact O-CG2 3.32Å; V30-V34 WeakPolarHBondContact O-CG2 3.31Å; V30-V34 PolarHBondContact O-N 3.43Å |
| 31 | C | 90.2 | Very high | 84.5 | Confident | 80 Ų | 80 | 95.2 Ų | 95.2 | 54% | 0.541 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 177.8 | -72.1 | 0 | 0 | 0 | 0 | 112.4 | L27 G28 V34 S35 | L27-C31 PolarHBondContact O-N 3.45Å; L27-C31 PolarHBondContact O-SG 2.7Å; L27-C31 VanDerWaalsContact O-SG 3.32Å; G28-C31 PolarHBondContact O-N 3.18Å; C31-V34 PolarHBondContact O-N 3.35Å; C31-S35 WeakPolarHBondContact O-CB 3.31Å; C31-S35 PolarHBondContact O-N 2.81Å; C31-S35 PolarHBondContact O-OG 3.47Å |
| 32 | V | 90.9 | Very high | 84.1 | Confident | 85 Ų | 85 | 94.7 Ų | 94.7 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 177.2 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | G28 V30 V34 S35 I36 | G28-V32 VanDerWaalsContact O-CG2 3.31Å; G28-V32 WeakPolarHBondContact O-CG2 3.3Å; G28-V32 PolarHBondContact O-N 3.5Å; V30-V32 PolarHBondContact O-N 2.89Å; V32-V34 PolarHBondContact O-N 2.77Å; V32-S35 PolarHBondContact O-N 3.38Å; V32-I36 HydrophobicContact CG1-CD1 3.61Å; V32-I36 HydrophobicContact CG1-CG1 4.27Å; V32-I36 VanDerWaalsContact O-CG1 3.3Å; V32-I36 WeakPolarHBondContact O-CG1 3.38Å; V32-I36 PolarHBondContact O-N 3.45Å |
| 33 | Y | 91.3 | Very high | 83.7 | Confident | 162 Ų | 162 | 99.8 Ų | 99.8 | 64% | 0.635 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.9 | -45.8 | 177 | -179.5 | -99.2 | 0 | 0 | 0 | 112.3 | S29 V30 S35 I36 T37 | S29-Y33 VanDerWaalsContact O-CB 3.29Å; S29-Y33 WeakPolarHBondContact O-CB 3.41Å; S29-Y33 PolarHBondContact O-N 3.43Å; V30-Y33 PolarHBondContact O-N 2.87Å; Y33-S35 VanDerWaalsContact C-N 3.31Å; Y33-S35 PolarHBondContact O-N 2.92Å; Y33-I36 PolarHBondContact O-N 3.26Å; Y33-T37 HydrophobicContact CD1-CG2 4.18Å; Y33-T37 HydrophobicContact CD2-CG2 4.33Å; Y33-T37 HydrophobicContact CE1-CG2 3.77Å; Y33-T37 HydrophobicContact CE2-CG2 3.93Å; Y33-T37 HydrophobicContact CG-CG2 4.44Å; Y33-T37 WeakPolarHBondContact O-CB 3.29Å; Y33-T37 VanDerWaalsContact O-CG2 3.3Å; Y33-T37 WeakPolarHBondContact O-CG2 3.33Å; Y33-T37 PolarHBondContact O-N 2.97Å; Y33-T37 PolarHBondContact O-OG1 3.2Å |
| 34 | V | 88.9 | Confident | 83.3 | Confident | 80 Ų | 80 | 96.4 Ų | 96.4 | 49% | 0.485 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 176 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | V30 C31 V32 T37 K38 | V30-V34 HydrophobicContact CG1-CG2 4.4Å; V30-V34 VanDerWaalsContact O-CG2 3.32Å; V30-V34 WeakPolarHBondContact O-CG2 3.31Å; V30-V34 PolarHBondContact O-N 3.43Å; C31-V34 PolarHBondContact O-N 3.35Å; V32-V34 PolarHBondContact O-N 2.77Å; V34-T37 VanDerWaalsContact CA-OG1 3.31Å; V34-T37 WeakPolarHBondContact CA-OG1 3.42Å; V34-T37 PolarHBondContact O-OG1 2.87Å; V34-K38 WeakPolarHBondContact O-CB 3.25Å; V34-K38 PolarHBondContact O-N 2.92Å |
| 35 | S | 86.9 | Confident | 82.5 | Confident | 76 Ų | 76 | 95 Ų | 95 | 53% | 0.531 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 178.7 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | C31 V32 Y33 H39 | C31-S35 WeakPolarHBondContact O-CB 3.31Å; C31-S35 PolarHBondContact O-N 2.81Å; C31-S35 PolarHBondContact O-OG 3.47Å; V32-S35 PolarHBondContact O-N 3.38Å; Y33-S35 VanDerWaalsContact C-N 3.31Å; Y33-S35 PolarHBondContact O-N 2.92Å; S35-H39 VanDerWaalsContact O-CB 3.28Å; S35-H39 WeakPolarHBondContact O-CB 3.32Å; S35-H39 PolarHBondContact O-N 2.98Å |
| 36 | I | 85.6 | Confident | 81.5 | Confident | 91 Ų | 91 | 93 Ų | 93 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -47.9 | 177.3 | -68.4 | 170 | 0 | 0 | 0 | 110.5 | V32 Y33 K38 H39 L40 | V32-I36 HydrophobicContact CG1-CD1 3.61Å; V32-I36 HydrophobicContact CG1-CG1 4.27Å; V32-I36 VanDerWaalsContact O-CG1 3.3Å; V32-I36 WeakPolarHBondContact O-CG1 3.38Å; V32-I36 PolarHBondContact O-N 3.45Å; Y33-I36 PolarHBondContact O-N 3.26Å; I36-K38 VanDerWaalsContact C-N 3.35Å; I36-K38 PolarHBondContact O-N 3.21Å; I36-H39 PolarHBondContact O-N 2.93Å; I36-L40 HydrophobicContact CG2-CD1 3.79Å; I36-L40 HydrophobicContact CG2-CG 4.19Å; I36-L40 WeakPolarHBondContact O-CB 3.28Å; I36-L40 WeakPolarHBondContact O-CG 3.21Å; I36-L40 PolarHBondContact O-N 3.49Å |
| 37 | T | 86 | Confident | 80.3 | Confident | 54 Ų | 54 | 94.3 Ų | 94.3 | 33% | 0.331 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 179.7 | 49.5 | 0 | 0 | 0 | 0 | 111.7 | Y33 V34 L40 R41 | Y33-T37 HydrophobicContact CD1-CG2 4.18Å; Y33-T37 HydrophobicContact CD2-CG2 4.33Å; Y33-T37 HydrophobicContact CE1-CG2 3.77Å; Y33-T37 HydrophobicContact CE2-CG2 3.93Å; Y33-T37 HydrophobicContact CG-CG2 4.44Å; Y33-T37 WeakPolarHBondContact O-CB 3.29Å; Y33-T37 VanDerWaalsContact O-CG2 3.3Å; Y33-T37 WeakPolarHBondContact O-CG2 3.33Å; Y33-T37 PolarHBondContact O-N 2.97Å; Y33-T37 PolarHBondContact O-OG1 3.2Å; V34-T37 VanDerWaalsContact CA-OG1 3.31Å; V34-T37 WeakPolarHBondContact CA-OG1 3.42Å; V34-T37 PolarHBondContact O-OG1 2.87Å; T37-L40 PolarHBondContact O-N 2.87Å; T37-R41 VanDerWaalsContact O-CB 3.25Å; T37-R41 WeakPolarHBondContact O-CB 3.34Å; T37-R41 PolarHBondContact O-N 2.81Å |
| 38 | K | 81.3 | Confident | 78.8 | Confident | 141 Ų | 141 | 96.9 Ų | 96.9 | 61% | 0.613 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.3 | -45.6 | 172.7 | -175.8 | 177 | 179.6 | 178.3 | 0 | 111.6 | V34 I36 R41 L42 | V34-K38 WeakPolarHBondContact O-CB 3.25Å; V34-K38 PolarHBondContact O-N 2.92Å; I36-K38 VanDerWaalsContact C-N 3.35Å; I36-K38 PolarHBondContact O-N 3.21Å; K38-R41 PolarHBondContact O-N 2.82Å; K38-L42 HydrophobicContact CG-CD1 4.17Å; K38-L42 WeakPolarHBondContact O-CB 3.07Å; K38-L42 VanDerWaalsContact O-CG 3.3Å; K38-L42 WeakPolarHBondContact O-CG 3.3Å; K38-L42 PolarHBondContact O-N 3.17Å |
| 39 | H | 81.6 | Confident | 77.5 | Confident | 92 Ų | 92 | 100 Ų | 100 | 43% | 0.426 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 179.1 | -174.9 | 66.8 | 0 | 0 | 0 | 112.6 | S35 I36 L42 R43 | S35-H39 VanDerWaalsContact O-CB 3.28Å; S35-H39 WeakPolarHBondContact O-CB 3.32Å; S35-H39 PolarHBondContact O-N 2.98Å; I36-H39 PolarHBondContact O-N 2.93Å; H39-L42 PolarHBondContact O-N 3.26Å; H39-R43 VanDerWaalsContact NE2-CZ 3.34Å; H39-R43 PolarHBondContact NE2-NE 3.4Å; H39-R43 WeakPolarHBondContact O-CG 3.24Å; H39-R43 PolarHBondContact O-N 2.88Å |
| 40 | L | 78 | Confident | 75.8 | Confident | 100 Ų | 100 | 98.5 Ų | 98.5 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 175.8 | -71 | 176.8 | 0 | 0 | 0 | 111.5 | I36 T37 R43 A44 | I36-L40 HydrophobicContact CG2-CD1 3.79Å; I36-L40 HydrophobicContact CG2-CG 4.19Å; I36-L40 WeakPolarHBondContact O-CB 3.28Å; I36-L40 WeakPolarHBondContact O-CG 3.21Å; I36-L40 PolarHBondContact O-N 3.49Å; T37-L40 PolarHBondContact O-N 2.87Å; L40-R43 PolarHBondContact O-N 3.21Å; L40-A44 WeakPolarHBondContact O-CB 3.36Å; L40-A44 PolarHBondContact O-N 2.89Å |
| 41 | R | 78.3 | Confident | 74.2 | Confident | 182 Ų | 182 | 100.9 Ų | 100.9 | 69% | 0.687 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -46.5 | 174.1 | -173 | 175.3 | 179.3 | 173.9 | -0.8 | 111.1 | T37 K38 R43 A44 L45 | T37-R41 VanDerWaalsContact O-CB 3.25Å; T37-R41 WeakPolarHBondContact O-CB 3.34Å; T37-R41 PolarHBondContact O-N 2.81Å; K38-R41 PolarHBondContact O-N 2.82Å; R41-R43 VanDerWaalsContact C-N 3.3Å; R41-R43 PolarHBondContact O-N 3.38Å; R41-A44 PolarHBondContact O-N 3.36Å; R41-L45 HydrophobicContact CG-CD1 3.9Å; R41-L45 HydrophobicContact CG-CG 4.35Å; R41-L45 WeakPolarHBondContact O-CB 3.2Å; R41-L45 WeakPolarHBondContact O-CG 3.41Å; R41-L45 PolarHBondContact O-N 3.22Å |
| 42 | L | 68.7 | Low | 72.6 | Confident | 74 Ų | 74 | 100.1 Ų | 100.1 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -35.6 | 175.6 | -72.5 | 170.6 | 0 | 0 | 0 | 112.8 | K38 H39 A50 | K38-L42 HydrophobicContact CG-CD1 4.17Å; K38-L42 WeakPolarHBondContact O-CB 3.07Å; K38-L42 VanDerWaalsContact O-CG 3.3Å; K38-L42 WeakPolarHBondContact O-CG 3.3Å; K38-L42 PolarHBondContact O-N 3.17Å; H39-L42 PolarHBondContact O-N 3.26Å; L42-A50 HydrophobicContact CD2-CB 4.33Å |
| 43 | R | 69.8 | Low | 70.7 | Confident | 177 Ų | 177 | 101.3 Ų | 101.3 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.4 | -40.2 | 172.8 | -79 | -173.1 | 168.2 | 177.9 | -0.9 | 112.6 | H39 L40 R41 G46 | H39-R43 VanDerWaalsContact NE2-CZ 3.34Å; H39-R43 PolarHBondContact NE2-NE 3.4Å; H39-R43 WeakPolarHBondContact O-CG 3.24Å; H39-R43 PolarHBondContact O-N 2.88Å; L40-R43 PolarHBondContact O-N 3.21Å; R41-R43 VanDerWaalsContact C-N 3.3Å; R41-R43 PolarHBondContact O-N 3.38Å; R43-G46 PolarHBondContact O-N 2.93Å |
| 44 | A | 71.2 | Confident | 68.6 | Low | 89 Ų | 89 | 100 Ų | 100 | 74% | 0.736 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.2 | -36 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L40 R41 G46 | L40-A44 WeakPolarHBondContact O-CB 3.36Å; L40-A44 PolarHBondContact O-N 2.89Å; R41-A44 PolarHBondContact O-N 3.36Å; A44-G46 PolarHBondContact O-N 3.2Å |
| 45 | L | 65.2 | Low | 66.6 | Low | 73 Ų | 73 | 104.3 Ų | 104.3 | 38% | 0.382 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -7.8 | 173.2 | -68.7 | 169.6 | 0 | 0 | 0 | 113 | R41 E49 | R41-L45 HydrophobicContact CG-CD1 3.9Å; R41-L45 HydrophobicContact CG-CG 4.35Å; R41-L45 WeakPolarHBondContact O-CB 3.2Å; R41-L45 WeakPolarHBondContact O-CG 3.41Å; R41-L45 PolarHBondContact O-N 3.22Å; L45-E49 HydrophobicContact CB-CB 4.01Å; L45-E49 WeakPolarHBondContact CB-OE2 3.48Å; L45-E49 VanDerWaalsContact CD1-OE2 3.24Å; L45-E49 WeakPolarHBondContact CD1-OE2 3.3Å; L45-E49 WeakPolarHBondContact CD2-OE2 3.49Å; L45-E49 WeakPolarHBondContact CG-OE2 3.47Å |
| 46 | G | 60 | Low | 64.9 | Low | 21 Ų | 21 | 102.9 Ų | 102.9 | 22% | 0.216 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | 72.9 | 168.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R43 A44 E48 A50 | R43-G46 PolarHBondContact O-N 2.93Å; A44-G46 PolarHBondContact O-N 3.2Å; G46-E48 PolarHBondContact O-N 3.3Å; G46-A50 PolarHBondContact O-N 3.24Å |
| 47 | P | 59.4 | Low | 63.1 | Low | 95 Ų | 95 | 108.2 Ų | 108.2 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.3 | -24.7 | 178 | 26.3 | -33.9 | 0 | 0 | 0 | 112.5 | Y51 | P47-Y51 HydrophobicContact CB-CD2 4.12Å; P47-Y51 HydrophobicContact CB-CE2 4.43Å; P47-Y51 WeakPolarHBondContact O-CB 3.43Å; P47-Y51 VanDerWaalsContact O-CD2 3.28Å; P47-Y51 WeakPolarHBondContact O-CD2 3.08Å; P47-Y51 PolarHBondContact O-N 3.17Å |
| 48 | E | 57.2 | Low | 61.5 | Low | 172 Ų | 172 | 111.1 Ų | 111.1 | 80% | 0.804 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.5 | -46.4 | -177.1 | -65.8 | -161.1 | 165.5 | 0 | 0 | 112.5 | G46 K52 | G46-E48 PolarHBondContact O-N 3.3Å; E48-K52 WeakPolarHBondContact O-CA 3.28Å; E48-K52 VanDerWaalsContact O-CB 3.29Å; E48-K52 WeakPolarHBondContact O-CB 3.28Å; E48-K52 PolarHBondContact O-N 3.13Å |
| 49 | E | 58.2 | Low | 59.9 | Low | 99 Ų | 99 | 108.4 Ų | 108.4 | 46% | 0.463 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -78.3 | -41.3 | 174.7 | -92.2 | -162.8 | 173.6 | 0 | 0 | 113 | L45 Y51 K52 | L45-E49 HydrophobicContact CB-CB 4.01Å; L45-E49 WeakPolarHBondContact CB-OE2 3.48Å; L45-E49 VanDerWaalsContact CD1-OE2 3.24Å; L45-E49 WeakPolarHBondContact CD1-OE2 3.3Å; L45-E49 WeakPolarHBondContact CD2-OE2 3.49Å; L45-E49 WeakPolarHBondContact CG-OE2 3.47Å; E49-Y51 PolarHBondContact O-N 3.33Å; E49-Y51 VanDerWaalsContact O-N 3.13Å; E49-K52 PolarHBondContact O-N 2.93Å |
| 50 | A | 53.8 | Low | 58.4 | Low | 40 Ų | 40 | 110.3 Ų | 110.3 | 33% | 0.331 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.8 | -28.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L42 G46 | L42-A50 HydrophobicContact CD2-CB 4.33Å; G46-A50 PolarHBondContact O-N 3.24Å |
| 51 | Y | 56.3 | Low | 57.5 | Low | 136 Ų | 136 | 114.3 Ų | 114.3 | 53% | 0.533 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -111.9 | 0.9 | 176.5 | -63 | -78.1 | 0 | 0 | 0 | 114.7 | P47 E49 Y53 K54 K55 | P47-Y51 HydrophobicContact CB-CD2 4.12Å; P47-Y51 HydrophobicContact CB-CE2 4.43Å; P47-Y51 WeakPolarHBondContact O-CB 3.43Å; P47-Y51 VanDerWaalsContact O-CD2 3.28Å; P47-Y51 WeakPolarHBondContact O-CD2 3.08Å; P47-Y51 PolarHBondContact O-N 3.17Å; E49-Y51 PolarHBondContact O-N 3.33Å; E49-Y51 VanDerWaalsContact O-N 3.13Å; Y51-Y53 PolarHBondContact O-N 3.12Å; Y51-Y53 VanDerWaalsContact O-N 3.15Å; Y51-K54 HydrophobicContact CD1-CB 4.02Å; Y51-K54 HydrophobicContact CD1-CD 3.84Å; Y51-K54 HydrophobicContact CE1-CD 4.12Å; Y51-K54 PolarHBondContact O-N 3.06Å; Y51-K55 PolarHBondContact O-N 3.45Å |
| 52 | K | 55.9 | Low | 56.6 | Low | 63 Ų | 63 | 109.2 Ų | 109.2 | 27% | 0.274 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -50.6 | -41.7 | 174.6 | -163.2 | 173 | 177.6 | -177.1 | 0 | 110.5 | E48 E49 M56 D70 N71 | E48-K52 WeakPolarHBondContact O-CA 3.28Å; E48-K52 VanDerWaalsContact O-CB 3.29Å; E48-K52 WeakPolarHBondContact O-CB 3.28Å; E48-K52 PolarHBondContact O-N 3.13Å; E49-K52 PolarHBondContact O-N 2.93Å; K52-M56 HydrophobicContact CG-CE 4.39Å; K52-M56 PolarHBondContact O-N 2.92Å; K52-D70 PolarHBondContact NZ-O 3.27Å; K52-N71 WeakPolarHBondContact CE-OD1 3.42Å |
| 53 | Y | 50.4 | Low | 56.3 | Low | 110 Ų | 110 | 113.7 Ų | 113.7 | 43% | 0.431 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -78.4 | -32.6 | 177.4 | -58.9 | -84 | 0 | 0 | 0 | 114.7 | Y51 K55 M56 Y57 L74 | Y51-Y53 PolarHBondContact O-N 3.12Å; Y51-Y53 VanDerWaalsContact O-N 3.15Å; Y53-K55 PolarHBondContact O-N 3.09Å; Y53-M56 HydrophobicContact CD1-CE 3.42Å; Y53-M56 VanDerWaalsContact CD1-CE 3.42Å; Y53-M56 HydrophobicContact CE1-CE 3.69Å; Y53-M56 HydrophobicContact CG-CE 4.1Å; Y53-M56 PolarHBondContact O-N 2.96Å; Y53-M56 VanDerWaalsContact O-N 3.1Å; Y53-Y57 WeakPolarHBondContact O-CD2 3.39Å; Y53-Y57 PolarHBondContact O-N 3.21Å; Y53-L74 HydrophobicContact CE1-CD2 3.65Å; Y53-L74 WeakPolarHBondContact OH-CD2 3.16Å |
| 54 | K | 48.8 | Very low | 55.9 | Low | 136 Ų | 136 | 108.9 Ų | 108.9 | 59% | 0.591 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.7 | -30.2 | 175.9 | -153.2 | -177.5 | -175.5 | -170.6 | 0 | 110.9 | Y51 V58 | Y51-K54 HydrophobicContact CD1-CB 4.02Å; Y51-K54 HydrophobicContact CD1-CD 3.84Å; Y51-K54 HydrophobicContact CE1-CD 4.12Å; Y51-K54 PolarHBondContact O-N 3.06Å; K54-V58 WeakPolarHBondContact O-CG2 3.29Å; K54-V58 PolarHBondContact O-N 3.43Å |
| 55 | K | 46.8 | Very low | 55.3 | Low | 169 Ų | 169 | 106.5 Ų | 106.5 | 74% | 0.735 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.4 | -41.2 | 168.1 | -76.7 | -172.8 | 177.2 | 179.1 | 0 | 112.4 | Y51 Y53 V58 V59 | Y51-K55 PolarHBondContact O-N 3.45Å; Y53-K55 PolarHBondContact O-N 3.09Å; K55-V58 PolarHBondContact O-N 3.09Å; K55-V59 PolarHBondContact O-N 3.05Å |
| 56 | M | 50.1 | Low | 55.2 | Low | 47 Ų | 47 | 111 Ų | 111 | 23% | 0.232 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 177.6 | -76 | -168.1 | -87.2 | 0 | 0 | 113.7 | K52 Y53 V58 V59 L74 | K52-M56 HydrophobicContact CG-CE 4.39Å; K52-M56 PolarHBondContact O-N 2.92Å; Y53-M56 HydrophobicContact CD1-CE 3.42Å; Y53-M56 VanDerWaalsContact CD1-CE 3.42Å; Y53-M56 HydrophobicContact CE1-CE 3.69Å; Y53-M56 HydrophobicContact CG-CE 4.1Å; Y53-M56 PolarHBondContact O-N 2.96Å; Y53-M56 VanDerWaalsContact O-N 3.1Å; M56-V58 PolarHBondContact O-N 3.04Å; M56-V59 CarbonylContact O-C 3.48Å; M56-V59 PolarHBondContact O-N 3Å; M56-V59 VanDerWaalsContact O-O 3.12Å; M56-L74 HydrophobicContact CE-CD1 3.41Å; M56-L74 VanDerWaalsContact CE-CD1 3.41Å; M56-L74 HydrophobicContact SD-CD1 3.87Å |
| 57 | Y | 48.4 | Very low | 55.4 | Low | 203 Ų | 203 | 115.9 Ų | 115.9 | 80% | 0.796 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -76.1 | -20 | 178.9 | -71.1 | -69.5 | 0 | 0 | 0 | 114.2 | Y53 | Y53-Y57 WeakPolarHBondContact O-CD2 3.39Å; Y53-Y57 PolarHBondContact O-N 3.21Å |
| 58 | V | 52.7 | Low | 55.9 | Low | 115 Ų | 115 | 114.2 Ų | 114.2 | 70% | 0.697 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -81.7 | -26.4 | 175.7 | 175.3 | 0 | 0 | 0 | 0 | 111 | K54 K55 M56 | K54-V58 WeakPolarHBondContact O-CG2 3.29Å; K54-V58 PolarHBondContact O-N 3.43Å; K55-V58 PolarHBondContact O-N 3.09Å; M56-V58 PolarHBondContact O-N 3.04Å |
| 59 | V | 47.7 | Very low | 56.7 | Low | 84 Ų | 84 | 115.1 Ų | 115.1 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -140.5 | 109 | -174.1 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | K55 M56 | K55-V59 PolarHBondContact O-N 3.05Å; M56-V59 CarbonylContact O-C 3.48Å; M56-V59 PolarHBondContact O-N 3Å; M56-V59 VanDerWaalsContact O-O 3.12Å |
| 60 | K | 50 | Low | 57.1 | Low | 132 Ų | 132 | 116 Ų | 116 | 57% | 0.574 | 56% | 0.56 | S | S | * | * | trans | 104.9 | 128.3 | 151.7 | -76.6 | 167.4 | 169.3 | -156.3 | 0 | 118.5 | D64 V65 | K60-D64 HydrophobicContact CB-CB 3.75Å; K60-D64 HydrophobicContact CD-CB 3.51Å; K60-D64 HydrophobicContact CG-CB 3.52Å; K60-V65 HydrophobicContact CB-CG2 4.23Å | ||
| 61 | R | 57.5 | Low | 57.6 | Low | 184 Ų | 184 | 115.7 Ų | 115.7 | 69% | 0.694 | 55% | 0.553 | S | S | * | * | trans | -54.4 | 152.2 | 164.2 | -73.2 | 178.1 | -81.1 | -161.2 | -4 | 108.1 | E63 D64 | R61-E63 PolarHBondContact O-N 3.15Å; R61-D64 PolarHBondContact O-N 3.09Å | ||
| 62 | A | 59.9 | Low | 58.2 | Low | 75 Ų | 75 | 111.4 Ų | 111.4 | 62% | 0.62 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -51.1 | -25.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D64 Y75 | A62-D64 PolarHBondContact O-N 3.27Å; A62-Y75 HydrophobicContact CB-CE1 4.42Å |
| 63 | E | 62.4 | Low | 58.7 | Low | 168 Ų | 168 | 113.7 Ų | 113.7 | 79% | 0.785 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -68.1 | -24.2 | 177.4 | -60.6 | 171.2 | -157.3 | 0 | 0 | 114.6 | R61 | R61-E63 PolarHBondContact O-N 3.15Š|
| 64 | D | 61.5 | Low | 59.1 | Low | 75 Ų | 75 | 110.5 Ų | 110.5 | 40% | 0.401 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -103.9 | 4.8 | -173.9 | -47.3 | -64 | 0 | 0 | 0 | 113.7 | K60 R61 A62 | K60-D64 HydrophobicContact CB-CB 3.75Å; K60-D64 HydrophobicContact CD-CB 3.51Å; K60-D64 HydrophobicContact CG-CB 3.52Å; R61-D64 PolarHBondContact O-N 3.09Å; A62-D64 PolarHBondContact O-N 3.27Å |
| 65 | V | 59.2 | Low | 59.6 | Low | 39 Ų | 39 | 109.3 Ų | 109.3 | 24% | 0.236 | 54% | 0.54 | C | S | . | . | trans | -95.6 | 113 | -179.8 | -177.4 | 0 | 0 | 0 | 0 | 109 | K60 L67 | K60-V65 HydrophobicContact CB-CG2 4.23Å; V65-L67 PolarHBondContact O-N 3.32Å | ||
| 66 | E | 63.9 | Low | 60 | Low | 167 Ų | 167 | 111 Ų | 111 | 78% | 0.78 | 56% | 0.557 | S | S | * | * | trans | -63.6 | 121.5 | 169.4 | -71.3 | 178.5 | 179 | 0 | 0 | 109.5 | T68 | E66-T68 PolarHBondContact O-N 3.1Å; E66-T68 VanDerWaalsContact O-N 3.07Å | ||
| 67 | L | 64.1 | Low | 60.5 | Low | 125 Ų | 125 | 114.2 Ų | 114.2 | 65% | 0.654 | 57% | 0.573 | S | S | * | * | trans | -70.6 | 100.9 | 173.5 | -78.5 | 164.7 | 0 | 0 | 0 | 108.9 | V65 Y75 | V65-L67 PolarHBondContact O-N 3.32Å; L67-Y75 HydrophobicContact CD2-CD2 3.58Å; L67-Y75 HydrophobicContact CD2-CE2 4.01Å; L67-Y75 HydrophobicContact CD2-CG 4.33Å | ||
| 68 | T | 70 | Confident | 61.1 | Low | 60 Ų | 60 | 109.5 Ų | 109.5 | 37% | 0.368 | 56% | 0.561 | S | S | . | * | trans | -94.1 | 159.5 | 168.6 | 57.7 | 0 | 0 | 0 | 0 | 110.6 | E66 D70 N71 A72 | E66-T68 PolarHBondContact O-N 3.1Å; E66-T68 VanDerWaalsContact O-N 3.07Å; T68-D70 PolarHBondContact O-N 3.07Å; T68-D70 VanDerWaalsContact O-N 3.12Å; T68-N71 PolarHBondContact O-N 3.48Å; T68-N71 PolarHBondContact OG1-ND2 2.92Å; T68-A72 PolarHBondContact O-N 3.38Å; T68-A72 VanDerWaalsContact O-N 3.09Å | ||
| 69 | E | 73.1 | Confident | 61.6 | Low | 190 Ų | 190 | 109.2 Ų | 109.2 | 89% | 0.888 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | -34.7 | 173.6 | -70.4 | -175.4 | 171 | 0 | 0 | 111.7 | N71 | E69-N71 VanDerWaalsContact C-N 3.29Å; E69-N71 PolarHBondContact O-N 3.3Å |
| 70 | D | 67.7 | Low | 62.4 | Low | 119 Ų | 119 | 110.7 Ų | 110.7 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -14.2 | 178.8 | -62.6 | -31.7 | 0 | 0 | 0 | 115.1 | K52 T68 H73 | K52-D70 PolarHBondContact NZ-O 3.27Å; T68-D70 PolarHBondContact O-N 3.07Å; T68-D70 VanDerWaalsContact O-N 3.12Å; D70-H73 PolarHBondContact O-CE1 2.92Å; D70-H73 PolarHBondContact O-ND1 3.49Å |
| 71 | N | 63.3 | Low | 63.2 | Low | 33 Ų | 33 | 109.4 Ų | 109.4 | 18% | 0.176 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -119.9 | -10 | -174.9 | -67.2 | -19.9 | 0 | 0 | 0 | 113.5 | K52 T68 E69 H73 L74 | K52-N71 WeakPolarHBondContact CE-OD1 3.42Å; T68-N71 PolarHBondContact O-N 3.48Å; T68-N71 PolarHBondContact OG1-ND2 2.92Å; E69-N71 VanDerWaalsContact C-N 3.29Å; E69-N71 PolarHBondContact O-N 3.3Å; N71-H73 VanDerWaalsContact C-N 3.26Å; N71-H73 PolarHBondContact O-N 3.47Å; N71-L74 HydrophobicContact CB-CD1 4.2Å; N71-L74 VanDerWaalsContact O-CB 3.28Å; N71-L74 WeakPolarHBondContact O-CB 3.4Å; N71-L74 WeakPolarHBondContact O-CG 3.12Å; N71-L74 PolarHBondContact O-N 2.91Å; N71-L74 VanDerWaalsContact O-N 3.09Å |
| 72 | A | 68.5 | Low | 63.5 | Low | 46 Ų | 46 | 104.4 Ų | 104.4 | 38% | 0.38 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -58.6 | -33.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T68 L74 Y75 | T68-A72 PolarHBondContact O-N 3.38Å; T68-A72 VanDerWaalsContact O-N 3.09Å; A72-L74 PolarHBondContact O-N 3.45Å; A72-L74 VanDerWaalsContact O-N 3.09Å; A72-Y75 PolarHBondContact O-N 3.39Å |
| 73 | H | 66.7 | Low | 63.8 | Low | 110 Ų | 110 | 106.5 Ų | 106.5 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -68 | -5.1 | 179 | 66.6 | -88.3 | 0 | 0 | 0 | 114.5 | D70 N71 | D70-H73 PolarHBondContact O-CE1 2.92Å; D70-H73 PolarHBondContact O-ND1 3.49Å; N71-H73 VanDerWaalsContact C-N 3.26Å; N71-H73 PolarHBondContact O-N 3.47Å |
| 74 | L | 58 | Low | 63.9 | Low | 43 Ų | 43 | 101.8 Ų | 101.8 | 23% | 0.225 | 52% | 0.522 | C | S | . | . | G | 310 helix | trans | -93.9 | -15.2 | -176.8 | -58.7 | 172.4 | 0 | 0 | 0 | 113.5 | Y53 M56 N71 A72 | Y53-L74 HydrophobicContact CE1-CD2 3.65Å; Y53-L74 WeakPolarHBondContact OH-CD2 3.16Å; M56-L74 HydrophobicContact CE-CD1 3.41Å; M56-L74 VanDerWaalsContact CE-CD1 3.41Å; M56-L74 HydrophobicContact SD-CD1 3.87Å; N71-L74 HydrophobicContact CB-CD1 4.2Å; N71-L74 VanDerWaalsContact O-CB 3.28Å; N71-L74 WeakPolarHBondContact O-CB 3.4Å; N71-L74 WeakPolarHBondContact O-CG 3.12Å; N71-L74 PolarHBondContact O-N 2.91Å; N71-L74 VanDerWaalsContact O-N 3.09Å; A72-L74 PolarHBondContact O-N 3.45Å; A72-L74 VanDerWaalsContact O-N 3.09Å |
| 75 | Y | 59.8 | Low | 64.1 | Low | 111 Ų | 111 | 104 Ų | 104 | 44% | 0.435 | 53% | 0.532 | S | S | . | . | trans | -112.6 | 5.9 | -177.6 | -67.9 | -83.7 | 0 | 0 | 0 | 113.5 | A62 L67 A72 | A62-Y75 HydrophobicContact CB-CE1 4.42Å; L67-Y75 HydrophobicContact CD2-CD2 3.58Å; L67-Y75 HydrophobicContact CD2-CE2 4.01Å; L67-Y75 HydrophobicContact CD2-CG 4.33Å; A72-Y75 PolarHBondContact O-N 3.39Å | ||
| 76 | N | 55.2 | Low | 64.6 | Low | 205 Ų | 205 | 109.9 Ų | 109.9 | 100% | 1.096 | 56% | 0.559 | S | S | * | * | trans | -105.4 | 0 | 169 | -76 | -22.2 | 0 | 0 | 0 | 110.2 |
Retrieved 76 of 76 residues in 23.1 ms
(Link to these results)