| 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 | 40.3 | Very low | 57.6 | Low | 200 Ų | 200 | 112.7 Ų | 112.7 | 99% | 0.985 | 64% | 0.64 | S | S | * | * | 0 | -15.3 | 0 | -76.9 | -165 | 163 | 0 | 0 | 114.5 | T4 V5 | M1-T4 PolarHBondContact O-OG1 2.94Å; M1-V5 WeakPolarHBondContact O-CG2 3.3Å | |||
| 2 | L | 46.4 | Very low | 59.2 | Low | 141 Ų | 141 | 111 Ų | 111 | 74% | 0.738 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.1 | -36.7 | -179.7 | -98.3 | 83.8 | 0 | 0 | 0 | 116.7 | T4 | L2-T4 VanDerWaalsContact C-N 3.35Å; L2-T4 PolarHBondContact O-N 2.65Å |
| 3 | P | 50 | Low | 60.7 | Low | 108 Ų | 108 | 109.3 Ų | 109.3 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.8 | -30.3 | -174.4 | -19.7 | 31.4 | 0 | 0 | 0 | 113.8 | ||
| 4 | T | 52.8 | Low | 62.1 | Low | 95 Ų | 95 | 106.9 Ų | 106.9 | 58% | 0.583 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -84.8 | -22.1 | -176.9 | 40.9 | 0 | 0 | 0 | 0 | 113.7 | M1 L2 S7 | M1-T4 PolarHBondContact O-OG1 2.94Å; L2-T4 VanDerWaalsContact C-N 3.35Å; L2-T4 PolarHBondContact O-N 2.65Å; T4-S7 PolarHBondContact O-OG 3Å |
| 5 | V | 55.5 | Low | 63.4 | Low | 95 Ų | 95 | 109.5 Ų | 109.5 | 58% | 0.576 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -76.6 | -27.4 | 177.8 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | M1 | M1-V5 WeakPolarHBondContact O-CG2 3.3Å |
| 6 | L | 54.5 | Low | 64.4 | Low | 107 Ų | 107 | 111.3 Ų | 111.3 | 56% | 0.56 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -80.1 | -21.3 | -179.1 | -79.7 | 157.1 | 0 | 0 | 0 | 114 | L14 | L6-L14 HydrophobicContact CD2-CD2 4.2Å |
| 7 | S | 60.6 | Low | 65.4 | Low | 99 Ų | 99 | 109.4 Ų | 109.4 | 69% | 0.692 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -17.7 | 179.9 | 72.1 | 0 | 0 | 0 | 0 | 114.2 | T4 | T4-S7 PolarHBondContact O-OG 3Š|
| 8 | T | 63.5 | Low | 66.2 | Low | 114 Ų | 114 | 106.3 Ų | 106.3 | 70% | 0.699 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | -6.8 | -179.1 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | S10 | T8-S10 PolarHBondContact O-N 3.27Š|
| 9 | A | 60.3 | Low | 66.9 | Low | 23 Ų | 23 | 103.4 Ų | 103.4 | 19% | 0.19 | 57% | 0.574 | C | S | . | * | S | Bend | trans | -67.3 | 124.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | L13 L14 | A9-L13 HydrophobicContact CB-CD2 4.09Å; A9-L14 HydrophobicContact CB-CD1 4.28Å; A9-L14 HydrophobicContact CB-CG 4.17Å |
| 10 | S | 71.9 | Confident | 67.3 | Low | 71 Ų | 71 | 101.9 Ų | 101.9 | 50% | 0.497 | 56% | 0.564 | S | S | . | * | trans | -62.1 | 145.7 | 175.8 | 65.7 | 0 | 0 | 0 | 0 | 110.3 | T8 P12 L13 L14 | T8-S10 PolarHBondContact O-N 3.27Å; S10-P12 VanDerWaalsContact O-N 3.08Å; S10-L13 WeakPolarHBondContact O-CA 3.27Å; S10-L13 WeakPolarHBondContact O-CB 3.46Å; S10-L13 PolarHBondContact O-N 3.01Å; S10-L14 PolarHBondContact O-N 3.21Å | ||
| 11 | K | 77.5 | Confident | 67.6 | Low | 187 Ų | 187 | 102.6 Ų | 102.6 | 81% | 0.813 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -45.4 | -39.3 | 176.5 | -75.3 | -178.6 | 178.4 | 178.9 | 0 | 113.9 | L13 F15 | K11-L13 PolarHBondContact O-N 3.33Å; K11-F15 WeakPolarHBondContact O-CB 3.29Å; K11-F15 PolarHBondContact O-N 3.33Å |
| 12 | P | 77.3 | Confident | 69 | Low | 92 Ų | 92 | 96.7 Ų | 96.7 | 60% | 0.597 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.2 | -38.4 | 174.6 | -22.4 | 33.2 | 0 | 0 | 0 | 113.8 | S10 F15 F16 | S10-P12 VanDerWaalsContact O-N 3.08Å; P12-F15 PolarHBondContact O-N 2.94Å; P12-F16 WeakPolarHBondContact O-CB 3.29Å; P12-F16 PolarHBondContact O-N 3.47Å |
| 13 | L | 78.4 | Confident | 70 | Confident | 89 Ų | 89 | 96.5 Ų | 96.5 | 47% | 0.466 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.9 | -41 | -179.8 | -173.4 | 66.2 | 0 | 0 | 0 | 111.6 | A9 S10 K11 F15 F16 I17 | A9-L13 HydrophobicContact CB-CD2 4.09Å; S10-L13 WeakPolarHBondContact O-CA 3.27Å; S10-L13 WeakPolarHBondContact O-CB 3.46Å; S10-L13 PolarHBondContact O-N 3.01Å; K11-L13 PolarHBondContact O-N 3.33Å; L13-F15 VanDerWaalsContact C-N 3.33Å; L13-F16 PolarHBondContact O-N 3.27Å; L13-I17 HydrophobicContact CG-CD1 4.36Å; L13-I17 WeakPolarHBondContact O-CG1 3.21Å; L13-I17 PolarHBondContact O-N 2.85Å |
| 14 | L | 80.9 | Confident | 70.5 | Confident | 75 Ų | 75 | 99.3 Ų | 99.3 | 39% | 0.393 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 172.3 | -85.7 | 155.7 | 0 | 0 | 0 | 111.6 | L6 A9 S10 F16 I17 A18 | L6-L14 HydrophobicContact CD2-CD2 4.2Å; A9-L14 HydrophobicContact CB-CD1 4.28Å; A9-L14 HydrophobicContact CB-CG 4.17Å; S10-L14 PolarHBondContact O-N 3.21Å; L14-F16 VanDerWaalsContact C-N 3.35Å; L14-I17 PolarHBondContact O-N 3.02Å; L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 3.39Å |
| 15 | F | 80.7 | Confident | 70.7 | Confident | 147 Ų | 147 | 102.9 Ų | 102.9 | 65% | 0.645 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 173.8 | -167.5 | -97 | 0 | 0 | 0 | 111.4 | K11 P12 L13 A18 V19 | K11-F15 WeakPolarHBondContact O-CB 3.29Å; K11-F15 PolarHBondContact O-N 3.33Å; P12-F15 PolarHBondContact O-N 2.94Å; L13-F15 VanDerWaalsContact C-N 3.33Å; F15-A18 PolarHBondContact O-N 2.89Å; F15-V19 HydrophobicContact CD1-CG2 3.91Å; F15-V19 HydrophobicContact CE1-CG2 3.67Å; F15-V19 HydrophobicContact CZ-CG2 4.18Å; F15-V19 WeakPolarHBondContact O-CB 3.14Å; F15-V19 VanDerWaalsContact O-CG2 3.25Å; F15-V19 WeakPolarHBondContact O-CG2 3.38Å; F15-V19 PolarHBondContact O-N 3.5Å |
| 16 | F | 80 | Confident | 70.7 | Confident | 137 Ų | 137 | 105 Ų | 105 | 60% | 0.601 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.9 | -41.4 | 177.5 | -146.1 | -94.5 | 0 | 0 | 0 | 112.2 | P12 L13 L14 V19 I20 | P12-F16 WeakPolarHBondContact O-CB 3.29Å; P12-F16 PolarHBondContact O-N 3.47Å; L13-F16 PolarHBondContact O-N 3.27Å; L14-F16 VanDerWaalsContact C-N 3.35Å; F16-V19 PolarHBondContact O-N 2.96Å; F16-I20 HydrophobicContact CD1-CD1 3.61Å; F16-I20 HydrophobicContact CD1-CG1 4.18Å; F16-I20 HydrophobicContact CE1-CD1 3.85Å; F16-I20 HydrophobicContact CE1-CG1 4.36Å; F16-I20 WeakPolarHBondContact O-CB 3.09Å; F16-I20 VanDerWaalsContact O-CG1 3.27Å; F16-I20 WeakPolarHBondContact O-CG1 3.5Å; F16-I20 PolarHBondContact O-N 2.85Å |
| 17 | I | 80.7 | Confident | 70.7 | Confident | 79 Ų | 79 | 107.8 Ų | 107.8 | 41% | 0.405 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -43.2 | 173.6 | -67.9 | 167.4 | 0 | 0 | 0 | 110.7 | L13 L14 V19 I20 L21 | L13-I17 HydrophobicContact CG-CD1 4.36Å; L13-I17 WeakPolarHBondContact O-CG1 3.21Å; L13-I17 PolarHBondContact O-N 2.85Å; L14-I17 PolarHBondContact O-N 3.02Å; I17-V19 VanDerWaalsContact C-N 3.34Å; I17-V19 PolarHBondContact O-N 2.83Å; I17-I20 PolarHBondContact O-N 3.38Å; I17-L21 HydrophobicContact CG2-CD1 3.77Å; I17-L21 HydrophobicContact CG2-CG 4.3Å; I17-L21 WeakPolarHBondContact O-CB 3.38Å; I17-L21 VanDerWaalsContact O-CG 3.3Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 3.44Å |
| 18 | A | 79.6 | Confident | 70.7 | Confident | 54 Ų | 54 | 108.1 Ų | 108.1 | 45% | 0.446 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.2 | -36.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | L14 F15 S22 | L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 3.39Å; F15-A18 PolarHBondContact O-N 2.89Å; A18-S22 VanDerWaalsContact O-CB 3.3Å; A18-S22 WeakPolarHBondContact O-CB 3.16Å; A18-S22 PolarHBondContact O-N 3.48Å; A18-S22 PolarHBondContact O-OG 3.4Å |
| 19 | V | 79.6 | Confident | 70.8 | Confident | 52 Ų | 52 | 112.5 Ų | 112.5 | 32% | 0.315 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.8 | -43.3 | 173.1 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | F15 F16 I17 L21 S22 L23 | F15-V19 HydrophobicContact CD1-CG2 3.91Å; F15-V19 HydrophobicContact CE1-CG2 3.67Å; F15-V19 HydrophobicContact CZ-CG2 4.18Å; F15-V19 WeakPolarHBondContact O-CB 3.14Å; F15-V19 VanDerWaalsContact O-CG2 3.25Å; F15-V19 WeakPolarHBondContact O-CG2 3.38Å; F15-V19 PolarHBondContact O-N 3.5Å; F16-V19 PolarHBondContact O-N 2.96Å; I17-V19 VanDerWaalsContact C-N 3.34Å; I17-V19 PolarHBondContact O-N 2.83Å; V19-L21 PolarHBondContact O-N 2.83Å; V19-S22 WeakPolarHBondContact CA-OG 3.4Å; V19-S22 PolarHBondContact O-N 2.78Å; V19-S22 PolarHBondContact O-OG 3.29Å; V19-S22 VanDerWaalsContact O-OG 3.06Å; V19-L23 HydrophobicContact CG1-CD1 3.77Å; V19-L23 HydrophobicContact CG1-CG 4.26Å; V19-L23 WeakPolarHBondContact O-CB 3.36Å; V19-L23 WeakPolarHBondContact O-CG 3.27Å; V19-L23 PolarHBondContact O-N 2.85Å |
| 20 | I | 76.6 | Confident | 71 | Confident | 72 Ų | 72 | 116.4 Ų | 116.4 | 37% | 0.369 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -60.1 | -48.3 | 173.6 | -71.2 | 170.4 | 0 | 0 | 0 | 109.8 | F16 I17 S22 L23 Y24 | F16-I20 HydrophobicContact CD1-CD1 3.61Å; F16-I20 HydrophobicContact CD1-CG1 4.18Å; F16-I20 HydrophobicContact CE1-CD1 3.85Å; F16-I20 HydrophobicContact CE1-CG1 4.36Å; F16-I20 WeakPolarHBondContact O-CB 3.09Å; F16-I20 VanDerWaalsContact O-CG1 3.27Å; F16-I20 WeakPolarHBondContact O-CG1 3.5Å; F16-I20 PolarHBondContact O-N 2.85Å; I17-I20 PolarHBondContact O-N 3.38Å; I20-S22 VanDerWaalsContact C-N 3.3Å; I20-S22 PolarHBondContact O-N 3.43Å; I20-L23 PolarHBondContact O-N 2.81Å; I20-Y24 HydrophobicContact CG2-CD2 3.67Å; I20-Y24 HydrophobicContact CG2-CE2 3.74Å; I20-Y24 VanDerWaalsContact O-CD2 3.24Å; I20-Y24 WeakPolarHBondContact O-CD2 3.17Å; I20-Y24 PolarHBondContact O-N 3.36Å |
| 21 | L | 72.8 | Confident | 70.8 | Confident | 117 Ų | 117 | 117.1 Ų | 117.1 | 61% | 0.613 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.3 | -28.6 | 178 | -72.6 | 170 | 0 | 0 | 0 | 113.3 | I17 V19 Y24 | I17-L21 HydrophobicContact CG2-CD1 3.77Å; I17-L21 HydrophobicContact CG2-CG 4.3Å; I17-L21 WeakPolarHBondContact O-CB 3.38Å; I17-L21 VanDerWaalsContact O-CG 3.3Å; I17-L21 WeakPolarHBondContact O-CG 3.31Å; I17-L21 PolarHBondContact O-N 3.44Å; V19-L21 PolarHBondContact O-N 2.83Å; L21-Y24 CarbonylContact O-C 3.51Å; L21-Y24 VanDerWaalsContact O-C 3.31Å |
| 22 | S | 70 | Confident | 70.7 | Confident | 76 Ų | 76 | 116.8 Ų | 116.8 | 53% | 0.531 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -82 | -26.6 | 174.8 | 71.9 | 0 | 0 | 0 | 0 | 113.2 | A18 V19 I20 | A18-S22 VanDerWaalsContact O-CB 3.3Å; A18-S22 WeakPolarHBondContact O-CB 3.16Å; A18-S22 PolarHBondContact O-N 3.48Å; A18-S22 PolarHBondContact O-OG 3.4Å; V19-S22 WeakPolarHBondContact CA-OG 3.4Å; V19-S22 PolarHBondContact O-N 2.78Å; V19-S22 PolarHBondContact O-OG 3.29Å; V19-S22 VanDerWaalsContact O-OG 3.06Å; I20-S22 VanDerWaalsContact C-N 3.3Å; I20-S22 PolarHBondContact O-N 3.43Å |
| 23 | L | 66.3 | Low | 71.1 | Confident | 138 Ų | 138 | 116.7 Ų | 116.7 | 72% | 0.723 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -74.7 | -35 | 169.5 | -70.6 | 169.6 | 0 | 0 | 0 | 111.6 | V19 I20 K25 | V19-L23 HydrophobicContact CG1-CD1 3.77Å; V19-L23 HydrophobicContact CG1-CG 4.26Å; V19-L23 WeakPolarHBondContact O-CB 3.36Å; V19-L23 WeakPolarHBondContact O-CG 3.27Å; V19-L23 PolarHBondContact O-N 2.85Å; I20-L23 PolarHBondContact O-N 2.81Å; L23-K25 PolarHBondContact O-N 2.78Å |
| 24 | Y | 62 | Low | 71.7 | Confident | 167 Ų | 167 | 117.1 Ų | 117.1 | 66% | 0.655 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -74.2 | 66.8 | 158.1 | -76.1 | -82 | 0 | 0 | 0 | 108.4 | I20 L21 I26 | I20-Y24 HydrophobicContact CG2-CD2 3.67Å; I20-Y24 HydrophobicContact CG2-CE2 3.74Å; I20-Y24 VanDerWaalsContact O-CD2 3.24Å; I20-Y24 WeakPolarHBondContact O-CD2 3.17Å; I20-Y24 PolarHBondContact O-N 3.36Å; L21-Y24 CarbonylContact O-C 3.51Å; L21-Y24 VanDerWaalsContact O-C 3.31Å; Y24-I26 PolarHBondContact O-N 3.46Å |
| 25 | K | 55.4 | Low | 72.3 | Confident | 169 Ų | 169 | 114.7 Ų | 114.7 | 74% | 0.735 | 60% | 0.598 | S | S | * | * | trans | -54.6 | 95.2 | 146.5 | -83.2 | -175.9 | 177.8 | -180 | 0 | 104.8 | L23 E27 | L23-K25 PolarHBondContact O-N 2.78Å; K25-E27 PolarHBondContact O-N 2.83Å | ||
| 26 | I | 56.9 | Low | 72.8 | Confident | 139 Ų | 139 | 109 Ų | 109 | 71% | 0.713 | 58% | 0.578 | S | S | * | * | trans | -60.2 | 92.3 | 154.9 | -59.4 | 172.6 | 0 | 0 | 0 | 101.5 | Y24 C28 | Y24-I26 PolarHBondContact O-N 3.46Å; I26-C28 PolarHBondContact O-N 2.9Å | ||
| 27 | E | 54.9 | Low | 73.4 | Confident | 167 Ų | 167 | 105.3 Ų | 105.3 | 78% | 0.78 | 57% | 0.565 | S | S | * | * | trans | -60.7 | 86.8 | 160.5 | -78.2 | -178.7 | 167.4 | 0 | 0 | 104 | K25 K29 | K25-E27 PolarHBondContact O-N 2.83Å; E27-K29 VanDerWaalsContact C-N 3.27Å; E27-K29 PolarHBondContact O-N 3.21Å | ||
| 28 | C | 59 | Low | 74 | Confident | 106 Ų | 106 | 103.4 Ų | 103.4 | 72% | 0.716 | 56% | 0.558 | S | S | * | * | trans | -55.5 | 106.8 | 159.6 | -82.5 | 0 | 0 | 0 | 0 | 103.7 | I26 S30 | I26-C28 PolarHBondContact O-N 2.9Å; C28-S30 PolarHBondContact O-N 2.93Å | ||
| 29 | K | 65.6 | Low | 74.7 | Confident | 206 Ų | 206 | 105.8 Ų | 105.8 | 90% | 0.896 | 56% | 0.56 | S | S | * | * | trans | -49 | 111.3 | 170.6 | -72.9 | -178.5 | 176.6 | 180 | 0 | 106.6 | E27 S31 | E27-K29 VanDerWaalsContact C-N 3.27Å; E27-K29 PolarHBondContact O-N 3.21Å; K29-S31 PolarHBondContact O-N 3.49Å | ||
| 30 | S | 64.4 | Low | 75.4 | Confident | 104 Ų | 104 | 104.7 Ų | 104.7 | 73% | 0.727 | 55% | 0.553 | S | S | * | * | trans | -75 | 125.6 | 171.7 | 57.1 | 0 | 0 | 0 | 0 | 107.5 | C28 L32 | C28-S30 PolarHBondContact O-N 2.93Å; S30-L32 PolarHBondContact O-N 3.5Å | ||
| 31 | S | 67.5 | Low | 76.3 | Confident | 87 Ų | 87 | 101.6 Ų | 101.6 | 61% | 0.608 | 54% | 0.537 | S | S | * | . | trans | -65.1 | 134.6 | 168.1 | -175.9 | 0 | 0 | 0 | 0 | 109 | K29 L33 | K29-S31 PolarHBondContact O-N 3.49Å; S31-L33 WeakPolarHBondContact CB-O 3.19Å; S31-L33 PolarHBondContact O-N 2.92Å; S31-L33 PolarHBondContact OG-N 3.21Å; S31-L33 PolarHBondContact OG-O 3.25Å | ||
| 32 | L | 76.7 | Confident | 77.5 | Confident | 179 Ų | 179 | 98.4 Ų | 98.4 | 94% | 0.937 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -68.7 | -20.4 | 171 | -69.9 | 170.3 | 0 | 0 | 0 | 112 | S30 | S30-L32 PolarHBondContact O-N 3.5Š|
| 33 | L | 84.8 | Confident | 78.7 | Confident | 90 Ų | 90 | 100.8 Ų | 100.8 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -122.6 | 131.7 | -177 | -67.4 | 167.6 | 0 | 0 | 0 | 110 | S31 V35 T40 | S31-L33 WeakPolarHBondContact CB-O 3.19Å; S31-L33 PolarHBondContact O-N 2.92Å; S31-L33 PolarHBondContact OG-N 3.21Å; S31-L33 PolarHBondContact OG-O 3.25Å; L33-V35 HydrophobicContact CB-CG2 4.22Å; L33-V35 PolarHBondContact O-N 3.49Å; L33-T40 HydrophobicContact CB-CG2 4.5Å; L33-T40 HydrophobicContact CD2-CG2 4.08Å |
| 34 | N | 90.9 | Very high | 80.1 | Confident | 98 Ų | 98 | 96.7 Ų | 96.7 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | trans | -79.5 | 79.4 | 168.2 | -170 | 2.7 | 0 | 0 | 0 | 109.3 | A36 D37 T40 | N34-A36 PolarHBondContact O-N 2.78Å; N34-A36 VanDerWaalsContact O-N 3.14Å; N34-D37 HydrophobicContact CB-CB 3.98Å; N34-D37 VanDerWaalsContact CG-CB 3.45Å; N34-D37 VanDerWaalsContact ND2-CB 3.27Å; N34-D37 WeakPolarHBondContact ND2-CB 3.31Å; N34-D37 PolarHBondContact O-N 3.42Å; N34-T40 WeakPolarHBondContact O-CB 3.22Å; N34-T40 PolarHBondContact O-OG1 3.09Å | ||
| 35 | V | 93.2 | Very high | 81.8 | Confident | 24 Ų | 24 | 88.8 Ų | 88.8 | 15% | 0.145 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -33.4 | -172.8 | 172.2 | 0 | 0 | 0 | 0 | 112.7 | L33 D37 W41 F114 K135 | L33-V35 HydrophobicContact CB-CG2 4.22Å; L33-V35 PolarHBondContact O-N 3.49Å; V35-D37 VanDerWaalsContact C-N 3.32Å; V35-W41 HydrophobicContact CB-CZ2 4.23Å; V35-W41 HydrophobicContact CG1-CZ2 3.97Å; V35-W41 HydrophobicContact CG2-CZ2 4.32Å; V35-W41 PolarHBondContact O-NE1 2.89Å; V35-F114 HydrophobicContact CG1-CE2 3.88Å; V35-F114 HydrophobicContact CG2-CE2 4.21Å; V35-K135 HydrophobicContact CG1-CB 4.19Å; V35-K135 HydrophobicContact CG1-CG 4.03Å |
| 36 | A | 92.1 | Very high | 83.8 | Confident | 28 Ų | 28 | 82.7 Ų | 82.7 | 23% | 0.231 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -15.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | N34 P38 G145 | N34-A36 PolarHBondContact O-N 2.78Å; N34-A36 VanDerWaalsContact O-N 3.14Å; A36-P38 WeakPolarHBondContact O-CD 3.29Å; A36-G145 WeakPolarHBondContact CB-O 3.34Å |
| 37 | D | 92.3 | Very high | 85.7 | Confident | 59 Ų | 59 | 80.8 Ų | 80.8 | 32% | 0.316 | 43% | 0.434 | S | S | . | . | trans | -91.9 | 117.6 | -173.7 | 174.8 | 15.6 | 0 | 0 | 0 | 111.6 | N34 V35 E39 T40 | N34-D37 HydrophobicContact CB-CB 3.98Å; N34-D37 VanDerWaalsContact CG-CB 3.45Å; N34-D37 VanDerWaalsContact ND2-CB 3.27Å; N34-D37 WeakPolarHBondContact ND2-CB 3.31Å; N34-D37 PolarHBondContact O-N 3.42Å; V35-D37 VanDerWaalsContact C-N 3.32Å; D37-E39 PolarHBondContact O-N 3.45Å; D37-E39 VanDerWaalsContact O-N 3.16Å; D37-E39 PolarHBondContact OD1-N 3.07Å; D37-T40 WeakPolarHBondContact O-CB 3.49Å; D37-T40 PolarHBondContact O-N 2.96Å; D37-T40 VanDerWaalsContact O-N 3.09Å | ||
| 38 | P | 93.8 | Very high | 87.6 | Confident | 40 Ų | 40 | 75.3 Ų | 75.3 | 26% | 0.26 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -50.8 | -35.7 | 175.3 | -30.7 | 38.5 | 0 | 0 | 0 | 114.7 | A36 T40 W41 K42 V134 T144 | A36-P38 WeakPolarHBondContact O-CD 3.29Å; P38-T40 VanDerWaalsContact C-N 3.25Å; P38-T40 PolarHBondContact O-N 3.19Å; P38-W41 PolarHBondContact O-N 2.99Å; P38-K42 PolarHBondContact O-N 2.8Å; P38-K42 VanDerWaalsContact O-N 3.15Å; P38-V134 HydrophobicContact CB-CG1 3.62Å; P38-V134 HydrophobicContact CG-CG1 3.96Å; P38-T144 HydrophobicContact CG-CG2 4.2Å |
| 39 | E | 94 | Very high | 89.4 | Confident | 104 Ų | 104 | 70.5 Ų | 70.5 | 49% | 0.486 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.5 | -27.8 | -176.6 | -169.3 | 58.8 | -149.7 | 0 | 0 | 111.9 | D37 W41 K42 K43 | D37-E39 PolarHBondContact O-N 3.45Å; D37-E39 VanDerWaalsContact O-N 3.16Å; D37-E39 PolarHBondContact OD1-N 3.07Å; E39-W41 VanDerWaalsContact C-N 3.3Å; E39-W41 PolarHBondContact O-N 3.19Å; E39-K42 PolarHBondContact O-N 3.12Å; E39-K43 WeakPolarHBondContact O-CB 3.46Å; E39-K43 PolarHBondContact O-N 3.15Å |
| 40 | T | 94.9 | Very high | 90.8 | Very high | 29 Ų | 29 | 64.6 Ų | 64.6 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 175.1 | -67.6 | 0 | 0 | 0 | 0 | 111 | L33 N34 D37 P38 S44 | L33-T40 HydrophobicContact CB-CG2 4.5Å; L33-T40 HydrophobicContact CD2-CG2 4.08Å; N34-T40 WeakPolarHBondContact O-CB 3.22Å; N34-T40 PolarHBondContact O-OG1 3.09Å; D37-T40 WeakPolarHBondContact O-CB 3.49Å; D37-T40 PolarHBondContact O-N 2.96Å; D37-T40 VanDerWaalsContact O-N 3.09Å; P38-T40 VanDerWaalsContact C-N 3.25Å; P38-T40 PolarHBondContact O-N 3.19Å; T40-S44 PolarHBondContact O-N 2.87Å; T40-S44 VanDerWaalsContact O-N 3.17Å |
| 41 | W | 95.9 | Very high | 92.1 | Very high | 7 Ų | 7 | 66.9 Ų | 66.9 | 3% | 0.027 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -76 | -40.8 | -177.8 | -57.6 | 108.4 | 0 | 0 | 0 | 112.1 | V35 P38 E39 K43 S44 A45 F114 G133 K135 D481 T483 | V35-W41 HydrophobicContact CB-CZ2 4.23Å; V35-W41 HydrophobicContact CG1-CZ2 3.97Å; V35-W41 HydrophobicContact CG2-CZ2 4.32Å; V35-W41 PolarHBondContact O-NE1 2.89Å; P38-W41 PolarHBondContact O-N 2.99Å; E39-W41 VanDerWaalsContact C-N 3.3Å; E39-W41 PolarHBondContact O-N 3.19Å; W41-K43 PolarHBondContact O-N 3Å; W41-S44 PolarHBondContact O-N 3.44Å; W41-A45 PolarHBondContact O-N 3.05Å; W41-F114 HydrophobicContact CH2-CE2 4.39Å; W41-F114 AromaticContact CH2-CZ 3.95Å; W41-F114 HydrophobicContact CH2-CZ 3.95Å; W41-G133 WeakPolarHBondContact CB-O 3.2Å; W41-K135 HydrophobicContact CD2-CG 4.38Å; W41-K135 VanDerWaalsContact CE2-CG 3.46Å; W41-K135 HydrophobicContact CH2-CG 4.19Å; W41-K135 HydrophobicContact CZ2-CD 4.19Å; W41-K135 HydrophobicContact CZ2-CG 3.36Å; W41-D481 HydrophobicContact CE3-CB 4.36Å; W41-D481 HydrophobicContact CZ3-CB 3.92Å; W41-T483 HydrophobicContact CB-CG2 4.37Å; W41-T483 HydrophobicContact CD2-CG2 3.88Å; W41-T483 HydrophobicContact CE3-CG2 4.14Å; W41-T483 HydrophobicContact CG-CG2 3.96Å |
| 42 | K | 96.6 | Very high | 93.4 | Very high | 49 Ų | 49 | 63.4 Ų | 63.4 | 21% | 0.213 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57 | -48.8 | 172.4 | -174.5 | -172.8 | 169.6 | -67.9 | 0 | 111.4 | P38 E39 S44 A45 D46 L497 | P38-K42 PolarHBondContact O-N 2.8Å; P38-K42 VanDerWaalsContact O-N 3.15Å; E39-K42 PolarHBondContact O-N 3.12Å; K42-S44 VanDerWaalsContact C-N 3.33Å; K42-S44 PolarHBondContact O-N 3.18Å; K42-A45 WeakPolarHBondContact O-CB 3.47Å; K42-A45 PolarHBondContact O-N 3.33Å; K42-A45 VanDerWaalsContact O-N 3.15Å; K42-D46 IonicContact NZ-OD2 3.73Å; K42-D46 PolarHBondContact NZ-OD2 3.13Å; K42-D46 VanDerWaalsContact O-CG 3.22Å; K42-D46 PolarHBondContact O-N 3.46Å; K42-L497 HydrophobicContact CD-CD1 4.26Å; K42-L497 HydrophobicContact CG-CD1 4.5Å |
| 43 | K | 96.6 | Very high | 94.1 | Very high | 126 Ų | 126 | 57.4 Ų | 57.4 | 55% | 0.548 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 177.5 | -177.7 | -177.9 | 174.9 | -174.8 | 0 | 112 | E39 W41 A45 D46 E47 | E39-K43 WeakPolarHBondContact O-CB 3.46Å; E39-K43 PolarHBondContact O-N 3.15Å; W41-K43 PolarHBondContact O-N 3Å; K43-A45 VanDerWaalsContact C-N 3.29Å; K43-A45 PolarHBondContact O-N 3.27Å; K43-D46 PolarHBondContact O-N 2.65Å; K43-E47 WeakPolarHBondContact CE-OE1 2.99Å; K43-E47 WeakPolarHBondContact O-CG 3.24Å; K43-E47 PolarHBondContact O-N 2.67Å |
| 44 | S | 95.7 | Very high | 94.4 | Very high | 53 Ų | 53 | 61.6 Ų | 61.6 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 177.3 | -171.3 | 0 | 0 | 0 | 0 | 112.2 | T40 W41 K42 R48 | T40-S44 PolarHBondContact O-N 2.87Å; T40-S44 VanDerWaalsContact O-N 3.17Å; W41-S44 PolarHBondContact O-N 3.44Å; K42-S44 VanDerWaalsContact C-N 3.33Å; K42-S44 PolarHBondContact O-N 3.18Å; S44-R48 PolarHBondContact O-N 3.44Å |
| 45 | A | 97.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W41 K42 K43 E47 R48 F49 F484 H487 | W41-A45 PolarHBondContact O-N 3.05Å; K42-A45 WeakPolarHBondContact O-CB 3.47Å; K42-A45 PolarHBondContact O-N 3.33Å; K42-A45 VanDerWaalsContact O-N 3.15Å; K43-A45 VanDerWaalsContact C-N 3.29Å; K43-A45 PolarHBondContact O-N 3.27Å; A45-E47 VanDerWaalsContact C-N 3.29Å; A45-E47 PolarHBondContact O-N 3.42Å; A45-R48 WeakPolarHBondContact O-CA 3.3Å; A45-R48 WeakPolarHBondContact O-CB 3.34Å; A45-R48 PolarHBondContact O-N 3.23Å; A45-F49 HydrophobicContact CB-CE2 3.83Å; A45-F49 HydrophobicContact CB-CZ 4.19Å; A45-F49 VanDerWaalsContact O-CD2 3.26Å; A45-F49 WeakPolarHBondContact O-CD2 3.34Å; A45-F49 WeakPolarHBondContact O-CG 3.21Å; A45-F49 PolarHBondContact O-N 3.15Å; A45-F484 HydrophobicContact CB-CD2 3.76Å; A45-F484 HydrophobicContact CB-CE2 4.05Å; A45-H487 HydrophobicContact CB-CB 3.49Å; A45-H487 VanDerWaalsContact CB-CB 3.49Å |
| 46 | D | 97.2 | Very high | 93.8 | Very high | 40 Ų | 40 | 63.7 Ų | 63.7 | 21% | 0.214 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 179.2 | -64.8 | -9.6 | 0 | 0 | 0 | 111.5 | K42 K43 R48 F49 N50 Y498 | K42-D46 IonicContact NZ-OD2 3.73Å; K42-D46 PolarHBondContact NZ-OD2 3.13Å; K42-D46 VanDerWaalsContact O-CG 3.22Å; K42-D46 PolarHBondContact O-N 3.46Å; K43-D46 PolarHBondContact O-N 2.65Å; D46-R48 VanDerWaalsContact C-N 3.29Å; D46-R48 PolarHBondContact O-N 2.84Å; D46-F49 PolarHBondContact O-N 2.96Å; D46-N50 WeakPolarHBondContact O-CB 3.24Å; D46-N50 VanDerWaalsContact O-CG 3.32Å; D46-N50 PolarHBondContact O-N 3.16Å; D46-N50 PolarHBondContact O-ND2 2.9Å; D46-Y498 VanDerWaalsContact OD1-CE1 3.26Å; D46-Y498 WeakPolarHBondContact OD1-CE1 3.14Å; D46-Y498 PolarHBondContact OD1-OH 2.9Å; D46-Y498 VanDerWaalsContact OD1-OH 3.11Å |
| 47 | E | 95.6 | Very high | 93.2 | Very high | 99 Ų | 99 | 64.3 Ų | 64.3 | 46% | 0.463 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.2 | -34.4 | 173.1 | -73.3 | 176.4 | -169.6 | 0 | 0 | 112.9 | K43 A45 K51 | K43-E47 WeakPolarHBondContact CE-OE1 2.99Å; K43-E47 WeakPolarHBondContact O-CG 3.24Å; K43-E47 PolarHBondContact O-N 2.67Å; A45-E47 VanDerWaalsContact C-N 3.29Å; A45-E47 PolarHBondContact O-N 3.42Å; E47-K51 WeakPolarHBondContact O-CG 3.33Å; E47-K51 PolarHBondContact O-N 3.3Å |
| 48 | R | 95.6 | Very high | 92.8 | Very high | 53 Ų | 53 | 62 Ų | 62 | 20% | 0.2 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -72.9 | -43.4 | 175 | -76.3 | -179.8 | 152.9 | -82 | -4.2 | 111.6 | S44 A45 D46 N50 K51 F52 S478 S479 F484 | S44-R48 PolarHBondContact O-N 3.44Å; A45-R48 WeakPolarHBondContact O-CA 3.3Å; A45-R48 WeakPolarHBondContact O-CB 3.34Å; A45-R48 PolarHBondContact O-N 3.23Å; D46-R48 VanDerWaalsContact C-N 3.29Å; D46-R48 PolarHBondContact O-N 2.84Å; R48-N50 VanDerWaalsContact C-N 3.35Å; R48-N50 PolarHBondContact O-N 2.88Å; R48-K51 PolarHBondContact O-N 3.06Å; R48-K51 VanDerWaalsContact O-N 3.13Å; R48-F52 PolarHBondContact O-N 2.66Å; R48-S478 PolarHBondContact NH1-OG 2.84Å; R48-S478 PolarHBondContact NH2-OG 3.37Å; R48-S479 PolarHBondContact NH2-O 2.79Å; R48-F484 HydrophobicContact CB-CD2 4.4Å; R48-F484 HydrophobicContact CB-CE2 3.57Å; R48-F484 HydrophobicContact CB-CZ 3.82Å; R48-F484 HydrophobicContact CG-CE2 4.19Å; R48-F484 HydrophobicContact CG-CZ 4.47Å |
| 49 | F | 95.9 | Very high | 92 | Very high | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 175.5 | -58.5 | -41.2 | 0 | 0 | 0 | 111.5 | A45 D46 K51 F52 E53 L475 F484 H487 A488 Y491 Y498 | A45-F49 HydrophobicContact CB-CE2 3.83Å; A45-F49 HydrophobicContact CB-CZ 4.19Å; A45-F49 VanDerWaalsContact O-CD2 3.26Å; A45-F49 WeakPolarHBondContact O-CD2 3.34Å; A45-F49 WeakPolarHBondContact O-CG 3.21Å; A45-F49 PolarHBondContact O-N 3.15Å; D46-F49 PolarHBondContact O-N 2.96Å; F49-K51 PolarHBondContact O-N 2.8Å; F49-K51 VanDerWaalsContact O-N 3.14Å; F49-F52 WeakPolarHBondContact O-CA 3.43Å; F49-F52 WeakPolarHBondContact O-CB 3.35Å; F49-F52 PolarHBondContact O-N 2.91Å; F49-E53 WeakPolarHBondContact O-CG 3.38Å; F49-E53 PolarHBondContact O-N 3.48Å; F49-L475 HydrophobicContact CD1-CD2 3.78Å; F49-L475 HydrophobicContact CE1-CD1 4.25Å; F49-L475 HydrophobicContact CE1-CD2 4.04Å; F49-F484 HydrophobicContact CD1-CE2 4.27Å; F49-F484 HydrophobicContact CD1-CZ 4.3Å; F49-F484 AromaticContact CE1-CE2 3.6Å; F49-F484 HydrophobicContact CE1-CE2 3.6Å; F49-F484 AromaticContact CE1-CZ 3.68Å; F49-F484 HydrophobicContact CE1-CZ 3.68Å; F49-F484 AromaticContact CZ-CE2 3.75Å; F49-F484 HydrophobicContact CZ-CE2 3.75Å; F49-F484 HydrophobicContact CZ-CZ 4.26Å; F49-H487 HydrophobicContact CE2-CB 4.3Å; F49-H487 HydrophobicContact CZ-CB 4.03Å; F49-A488 HydrophobicContact CE1-CB 4.33Å; F49-Y491 HydrophobicContact CB-CD2 4.28Å; F49-Y491 HydrophobicContact CB-CE2 3.87Å; F49-Y491 AromaticContact CD1-CD1 3.93Å; F49-Y491 HydrophobicContact CD1-CD1 3.93Å; F49-Y491 AromaticContact CD1-CD2 3.96Å; F49-Y491 HydrophobicContact CD1-CD2 3.96Å; F49-Y491 HydrophobicContact CD1-CE1 4.15Å; F49-Y491 HydrophobicContact CD1-CE2 4.17Å; F49-Y491 AromaticContact CD1-CG 3.84Å; F49-Y491 HydrophobicContact CD1-CG 3.84Å; F49-Y491 AromaticContact CD2-CD2 3.67Å; F49-Y491 HydrophobicContact CD2-CD2 3.67Å; F49-Y491 HydrophobicContact CD2-CE2 4.13Å; F49-Y491 HydrophobicContact CD2-CG 4.15Å; F49-Y491 AromaticContact CE1-CD1 3.98Å; F49-Y491 HydrophobicContact CE1-CD1 3.98Å; F49-Y491 HydrophobicContact CE1-CD2 4.25Å; F49-Y491 AromaticContact CE1-CG 3.77Å; F49-Y491 HydrophobicContact CE1-CG 3.77Å; F49-Y491 AromaticContact CE2-CD2 3.97Å; F49-Y491 HydrophobicContact CE2-CD2 3.97Å; F49-Y491 HydrophobicContact CE2-CG 4.08Å; F49-Y491 HydrophobicContact CG-CD1 4.48Å; F49-Y491 AromaticContact CG-CD2 3.69Å; F49-Y491 HydrophobicContact CG-CD2 3.69Å; F49-Y491 AromaticContact CG-CE2 3.8Å; F49-Y491 HydrophobicContact CG-CE2 3.8Å; F49-Y491 HydrophobicContact CG-CG 4.07Å; F49-Y491 HydrophobicContact CZ-CD2 4.26Å; F49-Y491 AromaticContact CZ-CG 3.91Å; F49-Y491 HydrophobicContact CZ-CG 3.91Å; F49-Y498 AromaticContact CD2-CE1 3.98Å; F49-Y498 HydrophobicContact CD2-CE1 3.98Å; F49-Y498 HydrophobicContact CE2-CD1 4.39Å; F49-Y498 AromaticContact CE2-CE1 3.66Å; F49-Y498 HydrophobicContact CE2-CE1 3.66Å; F49-Y498 HydrophobicContact CE2-CE2 4.24Å; F49-Y498 AromaticContact CE2-CZ 3.58Å |
| 50 | N | 94.6 | Very high | 91.3 | Very high | 83 Ų | 83 | 64.9 Ų | 64.9 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.9 | -30.5 | 175.5 | -79.1 | -55.7 | 0 | 0 | 0 | 114 | D46 R48 K54 | D46-N50 WeakPolarHBondContact O-CB 3.24Å; D46-N50 VanDerWaalsContact O-CG 3.32Å; D46-N50 PolarHBondContact O-N 3.16Å; D46-N50 PolarHBondContact O-ND2 2.9Å; R48-N50 VanDerWaalsContact C-N 3.35Å; R48-N50 PolarHBondContact O-N 2.88Å; N50-K54 WeakPolarHBondContact O-CD 3.38Å; N50-K54 WeakPolarHBondContact O-CE 3.33Å; N50-K54 WeakPolarHBondContact O-CG 3.46Å |
| 51 | K | 93.5 | Very high | 90.6 | Very high | 152 Ų | 152 | 65.9 Ų | 65.9 | 66% | 0.661 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -77.5 | -42.4 | 173.5 | -71.3 | 172.8 | -176.3 | 173.7 | 0 | 111.2 | E47 R48 F49 K54 S55 | E47-K51 WeakPolarHBondContact O-CG 3.33Å; E47-K51 PolarHBondContact O-N 3.3Å; R48-K51 PolarHBondContact O-N 3.06Å; R48-K51 VanDerWaalsContact O-N 3.13Å; F49-K51 PolarHBondContact O-N 2.8Å; F49-K51 VanDerWaalsContact O-N 3.14Å; K51-K54 PolarHBondContact O-N 3.09Å; K51-S55 PolarHBondContact O-N 3.36Å |
| 52 | F | 93.6 | Very high | 90.2 | Very high | 14 Ų | 14 | 71.1 Ų | 71.1 | 6% | 0.061 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 177.2 | 176.5 | -120.9 | 0 | 0 | 0 | 111.9 | R48 F49 K54 S55 Y58 L61 Y472 E474 L475 Y491 | R48-F52 PolarHBondContact O-N 2.66Å; F49-F52 WeakPolarHBondContact O-CA 3.43Å; F49-F52 WeakPolarHBondContact O-CB 3.35Å; F49-F52 PolarHBondContact O-N 2.91Å; F52-K54 PolarHBondContact O-N 3.47Å; F52-K54 VanDerWaalsContact O-N 3.13Å; F52-S55 WeakPolarHBondContact O-CB 3.21Å; F52-S55 PolarHBondContact O-N 2.94Å; F52-S55 PolarHBondContact O-OG 2.02Å; F52-Y58 AromaticContact CD1-CD2 3.77Å; F52-Y58 HydrophobicContact CD1-CD2 3.77Å; F52-Y58 HydrophobicContact CD1-CE2 4.3Å; F52-Y58 AromaticContact CE1-CD2 3.44Å; F52-Y58 HydrophobicContact CE1-CD2 3.44Å; F52-Y58 VanDerWaalsContact CE1-CD2 3.44Å; F52-Y58 HydrophobicContact CE1-CE2 4.06Å; F52-Y58 HydrophobicContact CE1-CG 4.45Å; F52-Y58 AromaticContact CZ-CD2 3.95Å; F52-Y58 HydrophobicContact CZ-CD2 3.95Å; F52-Y58 VanDerWaalsContact O-CB 3.24Å; F52-Y58 WeakPolarHBondContact O-CB 3.14Å; F52-L61 HydrophobicContact CZ-CD1 4.42Å; F52-Y472 AromaticContact CE1-CD1 3.85Å; F52-Y472 HydrophobicContact CE1-CD1 3.85Å; F52-Y472 HydrophobicContact CE1-CD2 4.12Å; F52-Y472 HydrophobicContact CE1-CE1 4.01Å; F52-Y472 HydrophobicContact CE1-CE2 4.26Å; F52-Y472 AromaticContact CE1-CG 3.91Å; F52-Y472 HydrophobicContact CE1-CG 3.91Å; F52-Y472 AromaticContact CZ-CD1 3.65Å; F52-Y472 HydrophobicContact CZ-CD1 3.65Å; F52-Y472 HydrophobicContact CZ-CE1 4.09Å; F52-Y472 AromaticContact CZ-CG 3.93Å; F52-Y472 HydrophobicContact CZ-CG 3.93Å; F52-E474 HydrophobicContact CD2-CB 4.49Å; F52-E474 HydrophobicContact CE2-CB 4.04Å; F52-L475 HydrophobicContact CB-CD2 3.62Å; F52-L475 HydrophobicContact CD1-CD2 3.42Å; F52-L475 VanDerWaalsContact CD1-CD2 3.42Å; F52-L475 HydrophobicContact CD1-CG 4.03Å; F52-L475 HydrophobicContact CD2-CD2 4.03Å; F52-L475 HydrophobicContact CD2-CG 4.39Å; F52-L475 HydrophobicContact CE1-CD1 4.47Å; F52-L475 HydrophobicContact CE1-CD2 4Å; F52-L475 HydrophobicContact CE1-CG 4.09Å; F52-L475 HydrophobicContact CG-CD2 3.41Å; F52-L475 VanDerWaalsContact CG-CD2 3.41Å; F52-L475 HydrophobicContact CG-CG 4.16Å; F52-L475 HydrophobicContact CZ-CG 4.35Å; F52-Y491 HydrophobicContact CD1-CE1 4.39Å; F52-Y491 HydrophobicContact CE1-CE1 4.47Å |
| 53 | E | 92.1 | Very high | 90 | Very high | 52 Ų | 52 | 72.1 Ų | 72.1 | 24% | 0.243 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21.2 | 179 | -68.8 | -178.9 | 170.1 | 0 | 0 | 113.7 | F49 Y58 Y491 | F49-E53 WeakPolarHBondContact O-CG 3.38Å; F49-E53 PolarHBondContact O-N 3.48Å; E53-Y58 HydrophobicContact CB-CD1 4.19Å; E53-Y58 HydrophobicContact CB-CE1 4.03Å; E53-Y58 HydrophobicContact CG-CD1 4.44Å; E53-Y58 HydrophobicContact CG-CD2 4.41Å; E53-Y58 HydrophobicContact CG-CE1 3.97Å; E53-Y58 HydrophobicContact CG-CE2 3.92Å; E53-Y58 WeakPolarHBondContact O-CD1 2.97Å; E53-Y491 WeakPolarHBondContact CG-OH 3.07Å; E53-Y491 PolarHBondContact OE1-OH 2.92Å |
| 54 | K | 91.1 | Very high | 90 | Very high | 178 Ų | 178 | 66.1 Ų | 66.1 | 77% | 0.774 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -5.2 | 175.1 | -65.2 | 172.4 | -171.2 | 176.6 | 0 | 113.1 | N50 K51 F52 | N50-K54 WeakPolarHBondContact O-CD 3.38Å; N50-K54 WeakPolarHBondContact O-CE 3.33Å; N50-K54 WeakPolarHBondContact O-CG 3.46Å; K51-K54 PolarHBondContact O-N 3.09Å; F52-K54 PolarHBondContact O-N 3.47Å; F52-K54 VanDerWaalsContact O-N 3.13Å |
| 55 | S | 88.9 | Confident | 90.1 | Very high | 36 Ų | 36 | 66.5 Ų | 66.5 | 25% | 0.252 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -78.8 | 153.8 | 179.5 | 76.5 | 0 | 0 | 0 | 0 | 111.6 | K51 F52 S57 Y58 | K51-S55 PolarHBondContact O-N 3.36Å; F52-S55 WeakPolarHBondContact O-CB 3.21Å; F52-S55 PolarHBondContact O-N 2.94Å; F52-S55 PolarHBondContact O-OG 2.02Å; S55-S57 VanDerWaalsContact C-N 3.29Å; S55-S57 PolarHBondContact O-N 3.44Å; S55-Y58 PolarHBondContact O-N 3.01Å; S55-Y58 PolarHBondContact OG-N 3.13Å |
| 56 | L | 82.8 | Confident | 90.2 | Very high | 130 Ų | 130 | 67 Ų | 67 | 68% | 0.681 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63 | -37.7 | 173.6 | -178.2 | 61.9 | 0 | 0 | 0 | 111.7 | Y58 L59 L60 | L56-Y58 VanDerWaalsContact C-N 3.28Å; L56-Y58 PolarHBondContact O-N 3.4Å; L56-L59 HydrophobicContact CD1-CD1 4.46Å; L56-L59 PolarHBondContact O-N 3.14Å; L56-L59 VanDerWaalsContact O-N 3.15Å; L56-L60 HydrophobicContact CG-CD1 4.41Å |
| 57 | S | 78.4 | Confident | 90.2 | Very high | 42 Ų | 42 | 65.1 Ų | 65.1 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.4 | -42.9 | 179 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | S55 L59 L60 L61 | S55-S57 VanDerWaalsContact C-N 3.29Å; S55-S57 PolarHBondContact O-N 3.44Å; S57-L59 PolarHBondContact O-N 2.96Å; S57-L60 PolarHBondContact O-N 3.47Å; S57-L61 WeakPolarHBondContact O-CD1 3.09Å; S57-L61 WeakPolarHBondContact O-CG 3.42Å; S57-L61 PolarHBondContact O-N 3.36Å; S57-L61 VanDerWaalsContact O-N 3.12Å |
| 58 | Y | 83.2 | Confident | 90.4 | Very high | 11 Ų | 11 | 60.4 Ų | 60.4 | 4% | 0.043 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.5 | -33.1 | 179.8 | -178.9 | -106.7 | 0 | 0 | 0 | 113.8 | F52 E53 S55 L56 L60 Y472 R512 | F52-Y58 AromaticContact CD1-CD2 3.77Å; F52-Y58 HydrophobicContact CD1-CD2 3.77Å; F52-Y58 HydrophobicContact CD1-CE2 4.3Å; F52-Y58 AromaticContact CE1-CD2 3.44Å; F52-Y58 HydrophobicContact CE1-CD2 3.44Å; F52-Y58 VanDerWaalsContact CE1-CD2 3.44Å; F52-Y58 HydrophobicContact CE1-CE2 4.06Å; F52-Y58 HydrophobicContact CE1-CG 4.45Å; F52-Y58 AromaticContact CZ-CD2 3.95Å; F52-Y58 HydrophobicContact CZ-CD2 3.95Å; F52-Y58 VanDerWaalsContact O-CB 3.24Å; F52-Y58 WeakPolarHBondContact O-CB 3.14Å; E53-Y58 HydrophobicContact CB-CD1 4.19Å; E53-Y58 HydrophobicContact CB-CE1 4.03Å; E53-Y58 HydrophobicContact CG-CD1 4.44Å; E53-Y58 HydrophobicContact CG-CD2 4.41Å; E53-Y58 HydrophobicContact CG-CE1 3.97Å; E53-Y58 HydrophobicContact CG-CE2 3.92Å; E53-Y58 WeakPolarHBondContact O-CD1 2.97Å; S55-Y58 PolarHBondContact O-N 3.01Å; S55-Y58 PolarHBondContact OG-N 3.13Å; L56-Y58 VanDerWaalsContact C-N 3.28Å; L56-Y58 PolarHBondContact O-N 3.4Å; Y58-L60 VanDerWaalsContact C-N 3.28Å; Y58-L60 PolarHBondContact O-N 2.95Å; Y58-Y472 HydrophobicContact CD2-CE1 4.46Å; Y58-R512 PolarHBondContact OH-NH1 3.34Å |
| 59 | L | 77.6 | Confident | 90.6 | Very high | 81 Ų | 81 | 58.3 Ų | 58.3 | 42% | 0.424 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -71.8 | -23.6 | 178.5 | -63.6 | 175 | 0 | 0 | 0 | 113.1 | L56 S57 | L56-L59 HydrophobicContact CD1-CD1 4.46Å; L56-L59 PolarHBondContact O-N 3.14Å; L56-L59 VanDerWaalsContact O-N 3.15Å; S57-L59 PolarHBondContact O-N 2.96Å |
| 60 | L | 78.7 | Confident | 90.7 | Very high | 123 Ų | 123 | 58.1 Ų | 58.1 | 64% | 0.644 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -98.7 | -18.7 | -174.4 | -61.8 | 176.1 | 0 | 0 | 0 | 112.9 | L56 S57 Y58 | L56-L60 HydrophobicContact CG-CD1 4.41Å; S57-L60 PolarHBondContact O-N 3.47Å; Y58-L60 VanDerWaalsContact C-N 3.28Å; Y58-L60 PolarHBondContact O-N 2.95Å |
| 61 | L | 81.7 | Confident | 90.9 | Very high | 50 Ų | 50 | 54.2 Ų | 54.2 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -94.2 | 136 | -172 | -67 | 168.2 | 0 | 0 | 0 | 112.4 | F52 S57 Y472 E474 | F52-L61 HydrophobicContact CZ-CD1 4.42Å; S57-L61 WeakPolarHBondContact O-CD1 3.09Å; S57-L61 WeakPolarHBondContact O-CG 3.42Å; S57-L61 PolarHBondContact O-N 3.36Å; S57-L61 VanDerWaalsContact O-N 3.12Å; L61-Y472 HydrophobicContact CB-CD1 4.28Å; L61-Y472 HydrophobicContact CB-CE1 4.3Å; L61-Y472 HydrophobicContact CD1-CD1 4.41Å; L61-E474 WeakPolarHBondContact CD1-OE2 3.21Å |
| 62 | K | 87.7 | Confident | 91.2 | Very high | 116 Ų | 116 | 47 Ų | 47 | 50% | 0.504 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -80.3 | 142.2 | 162.3 | -172.3 | -175.3 | 175 | -168 | 0 | 108.4 | E376 P471 | K62-E376 IonicContact NZ-OE1 2.65Å; K62-E376 PolarHBondContact NZ-OE1 3.31Å; K62-P471 WeakPolarHBondContact O-CB 3.39Å |
| 63 | R | 92.3 | Very high | 91.4 | Very high | 70 Ų | 70 | 46.3 Ų | 46.3 | 26% | 0.264 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -57.4 | 139.3 | 173.2 | -174.6 | -178.7 | 72 | 79.6 | -7.7 | 110.7 | Y472 S492 L493 C494 | R63-Y472 HydrophobicContact CG-CE2 4.16Å; R63-S492 WeakPolarHBondContact CD-O 3.45Å; R63-S492 WeakPolarHBondContact CG-O 2.92Å; R63-S492 PolarHBondContact NH1-O 3.05Å; R63-L493 PolarHBondContact NH1-O 2.92Å; R63-C494 WeakPolarHBondContact CD-SG 2.93Å |
| 64 | P | 96.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -59 | 142.2 | 172.2 | 20.5 | -30.4 | 0 | 0 | 0 | 111.8 | N66 L378 P471 Y472 | P64-N66 WeakPolarHBondContact CB-O 3.42Å; P64-L378 HydrophobicContact CB-CB 4.03Å; P64-L378 HydrophobicContact CG-CB 4.2Å; P64-P471 HydrophobicContact CB-CG 3.82Å; P64-P471 HydrophobicContact CG-CG 4.48Å; P64-Y472 HydrophobicContact CG-CD2 4.49Å |
| 65 | K | 97.5 | Very high | 92.1 | Very high | 60 Ų | 60 | 35.4 Ų | 35.4 | 26% | 0.261 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -83.3 | -34.8 | 165.6 | -179.8 | 177.3 | 164.2 | 173.3 | 0 | 111.1 | P330 G332 E376 L493 | K65-P330 WeakPolarHBondContact CE-O 3.28Å; K65-P330 PolarHBondContact NZ-O 2.81Å; K65-P330 VanDerWaalsContact NZ-O 3.15Å; K65-G332 WeakPolarHBondContact O-CA 3.32Å; K65-E376 HydrophobicContact CB-CB 4.18Å; K65-E376 PolarHBondContact N-O 3.4Å; K65-L493 WeakPolarHBondContact O-CD2 3.21Å |
| 66 | N | 98.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 33.7 Ų | 33.7 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 153.1 | -175.5 | -41.5 | -59.6 | 0 | 0 | 0 | 111.3 | P64 G332 F333 E376 T377 L378 | P64-N66 WeakPolarHBondContact CB-O 3.42Å; N66-G332 WeakPolarHBondContact OD1-CA 3.25Å; N66-F333 CarbonylContact C-O 3.55Å; N66-F333 VanDerWaalsContact CA-O 3.26Å; N66-F333 WeakPolarHBondContact CA-O 3.28Å; N66-F333 HydrophobicContact CB-CD1 3.87Å; N66-F333 HydrophobicContact CB-CD2 4.42Å; N66-F333 HydrophobicContact CB-CE1 3.63Å; N66-F333 HydrophobicContact CB-CE2 4.23Å; N66-F333 HydrophobicContact CB-CG 4.25Å; N66-F333 HydrophobicContact CB-CZ 3.83Å; N66-F333 VanDerWaalsContact CG-CD1 3.48Å; N66-F333 WeakPolarHBondContact OD1-CD1 3.31Å; N66-F333 WeakPolarHBondContact OD1-CE1 3.35Å; N66-F333 PolarHBondContact OD1-N 2.78Å; N66-F333 VanDerWaalsContact OD1-N 3.15Å; N66-E376 PolarHBondContact N-O 2.83Å; N66-T377 HydrophobicContact CB-CG2 3.9Å; N66-T377 PolarHBondContact ND2-OG1 2.62Å; N66-T377 VanDerWaalsContact ND2-OG1 3.14Å; N66-T377 WeakPolarHBondContact O-CA 3.33Å; N66-L378 PolarHBondContact O-N 3.01Å |
| 67 | V | 98.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 133.6 | 168.6 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | F333 L334 L335 L378 T489 L493 | V67-F333 PolarHBondContact N-O 3.27Å; V67-L334 HydrophobicContact CB-CD1 3.64Å; V67-L334 HydrophobicContact CG1-CD1 3.68Å; V67-L334 WeakPolarHBondContact O-CA 3.39Å; V67-L335 PolarHBondContact O-N 3.38Å; V67-L378 CarbonylContact C-O 3.6Å; V67-L378 VanDerWaalsContact CA-O 3.3Å; V67-L378 WeakPolarHBondContact CA-O 3.39Å; V67-L378 HydrophobicContact CG2-CB 4.16Å; V67-L378 HydrophobicContact CG2-CD2 4.28Å; V67-T489 HydrophobicContact CB-CG2 4.46Å; V67-T489 HydrophobicContact CG1-CG2 4.13Å; V67-T489 HydrophobicContact CG2-CG2 4.45Å; V67-L493 HydrophobicContact CB-CD1 4.21Å; V67-L493 HydrophobicContact CG2-CD1 3.87Å; V67-L493 HydrophobicContact CG2-CD2 3.86Å; V67-L493 HydrophobicContact CG2-CG 3.7Å |
| 68 | I | 98.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 119.8 | 169.2 | -49 | -176.3 | 0 | 0 | 0 | 108.6 | F70 I323 F333 L335 V337 A368 V372 T377 L378 L379 L380 | I68-F70 HydrophobicContact CB-CE2 3.95Å; I68-F70 HydrophobicContact CB-CZ 4.49Å; I68-F70 HydrophobicContact CG2-CD2 3.93Å; I68-F70 HydrophobicContact CG2-CE1 4.28Å; I68-F70 HydrophobicContact CG2-CE2 3.29Å; I68-F70 HydrophobicContact CG2-CZ 3.49Å; I68-F70 VanDerWaalsContact CG2-CZ 3.49Å; I68-I323 HydrophobicContact CD1-CD1 3.97Å; I68-I323 HydrophobicContact CD1-CG1 4.3Å; I68-F333 HydrophobicContact CD1-CE2 3.86Å; I68-F333 HydrophobicContact CD1-CZ 4.07Å; I68-F333 HydrophobicContact CG1-CE2 3.72Å; I68-F333 HydrophobicContact CG1-CZ 4.28Å; I68-L335 WeakPolarHBondContact CA-O 3.44Å; I68-L335 HydrophobicContact CD1-CD2 4.49Å; I68-L335 HydrophobicContact CG1-CB 4.36Å; I68-L335 HydrophobicContact CG2-CB 4.22Å; I68-L335 HydrophobicContact CG2-CD2 4.15Å; I68-L335 HydrophobicContact CG2-CG 4.18Å; I68-V337 HydrophobicContact CG2-CG2 4.18Å; I68-A368 HydrophobicContact CD1-CB 4.17Å; I68-V372 HydrophobicContact CD1-CG1 3.98Å; I68-T377 HydrophobicContact CD1-CG2 4.25Å; I68-T377 HydrophobicContact CG1-CG2 4.07Å; I68-L378 PolarHBondContact N-O 2.84Å; I68-L379 HydrophobicContact CB-CD2 4.48Å; I68-L379 HydrophobicContact CD1-CD2 4.36Å; I68-L380 PolarHBondContact O-N 3.18Å |
| 69 | L | 98.9 | Very high | 94.9 | Very high | 9 Ų | 9 | 30.2 Ų | 30.2 | 5% | 0.047 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 113.1 | 176.9 | 177.7 | 60.5 | 0 | 0 | 0 | 109.6 | I71 F130 L335 L336 V337 L380 T382 I485 | L69-I71 HydrophobicContact CD1-CD1 3.88Å; L69-I71 HydrophobicContact CD2-CD1 4.1Å; L69-I71 HydrophobicContact CG-CD1 3.84Å; L69-I71 HydrophobicContact CG-CG1 4.18Å; L69-F130 HydrophobicContact CD2-CD2 3.75Å; L69-F130 HydrophobicContact CD2-CE2 4.09Å; L69-L335 PolarHBondContact N-O 3.18Å; L69-L336 HydrophobicContact CB-CD1 4.45Å; L69-L336 HydrophobicContact CD2-CD1 4.13Å; L69-L336 HydrophobicContact CG-CD1 4.19Å; L69-L336 WeakPolarHBondContact O-CA 3.43Å; L69-V337 PolarHBondContact O-N 3.33Å; L69-L380 HydrophobicContact CD1-CB 3.7Å; L69-L380 HydrophobicContact CD1-CD1 4.23Å; L69-T382 HydrophobicContact CD1-CG2 4.03Å; L69-I485 HydrophobicContact CD1-CG2 4.1Å; L69-I485 HydrophobicContact CD2-CG2 4.02Å |
| 70 | F | 99 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 124.6 | 172.7 | -64 | -89.3 | 0 | 0 | 0 | 110.1 | I68 T319 V337 L361 A364 V365 A368 L379 L380 V381 T382 | I68-F70 HydrophobicContact CB-CE2 3.95Å; I68-F70 HydrophobicContact CB-CZ 4.49Å; I68-F70 HydrophobicContact CG2-CD2 3.93Å; I68-F70 HydrophobicContact CG2-CE1 4.28Å; I68-F70 HydrophobicContact CG2-CE2 3.29Å; I68-F70 HydrophobicContact CG2-CZ 3.49Å; I68-F70 VanDerWaalsContact CG2-CZ 3.49Å; F70-T319 HydrophobicContact CE1-CG2 4.29Å; F70-T319 HydrophobicContact CZ-CG2 4.47Å; F70-V337 CarbonylContact C-O 3.56Å; F70-V337 VanDerWaalsContact CA-O 3.27Å; F70-V337 WeakPolarHBondContact CA-O 3.49Å; F70-V337 HydrophobicContact CD1-CB 3.55Å; F70-V337 HydrophobicContact CD1-CG1 3.76Å; F70-V337 HydrophobicContact CD1-CG2 4.09Å; F70-V337 HydrophobicContact CE1-CB 3.74Å; F70-V337 HydrophobicContact CE1-CG1 3.86Å; F70-V337 HydrophobicContact CE1-CG2 3.79Å; F70-V337 HydrophobicContact CG-CB 4.37Å; F70-V337 HydrophobicContact CZ-CG2 4.39Å; F70-L361 HydrophobicContact CB-CD1 4.24Å; F70-L361 HydrophobicContact CD1-CD1 4.1Å; F70-A364 HydrophobicContact CE1-CB 4.23Å; F70-V365 HydrophobicContact CB-CG2 4.24Å; F70-V365 HydrophobicContact CD1-CG2 3.63Å; F70-V365 HydrophobicContact CD2-CG2 3.86Å; F70-V365 HydrophobicContact CE1-CG2 3.87Å; F70-V365 HydrophobicContact CE2-CG2 4.07Å; F70-V365 HydrophobicContact CG-CG2 3.64Å; F70-V365 HydrophobicContact CZ-CG2 4.09Å; F70-A368 HydrophobicContact CE2-CB 4.29Å; F70-A368 HydrophobicContact CZ-CB 3.57Å; F70-L379 HydrophobicContact CE2-CD2 4.16Å; F70-L380 WeakPolarHBondContact CB-O 3.45Å; F70-L380 WeakPolarHBondContact CD2-O 3.38Å; F70-L380 PolarHBondContact N-O 3.39Å; F70-V381 HydrophobicContact CB-CB 4.4Å; F70-V381 HydrophobicContact CB-CG1 4.49Å; F70-V381 HydrophobicContact CB-CG2 3.92Å; F70-V381 HydrophobicContact CD2-CG2 4.07Å; F70-V381 HydrophobicContact CG-CG2 4.25Å; F70-T382 PolarHBondContact O-N 3.34Å |
| 71 | I | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.2 | 176.3 | -56.8 | -61 | 0 | 0 | 0 | 108.8 | L69 D73 F130 T187 L336 V337 E338 G339 T382 D384 | L69-I71 HydrophobicContact CD1-CD1 3.88Å; L69-I71 HydrophobicContact CD2-CD1 4.1Å; L69-I71 HydrophobicContact CG-CD1 3.84Å; L69-I71 HydrophobicContact CG-CG1 4.18Å; I71-D73 PolarHBondContact O-N 3.14Å; I71-F130 HydrophobicContact CD1-CD1 4.45Å; I71-F130 HydrophobicContact CD1-CD2 4.07Å; I71-F130 HydrophobicContact CD1-CE1 4.12Å; I71-F130 HydrophobicContact CD1-CE2 3.71Å; I71-F130 HydrophobicContact CD1-CG 4.44Å; I71-F130 HydrophobicContact CD1-CZ 3.75Å; I71-F130 HydrophobicContact CG1-CE1 4.44Å; I71-F130 HydrophobicContact CG1-CE2 3.73Å; I71-F130 HydrophobicContact CG1-CZ 3.68Å; I71-F130 HydrophobicContact CG2-CZ 4.24Å; I71-T187 HydrophobicContact CG2-CG2 4.41Å; I71-L336 HydrophobicContact CG1-CD1 3.79Å; I71-V337 PolarHBondContact N-O 2.84Å; I71-E338 HydrophobicContact CB-CG 4.4Å; I71-E338 HydrophobicContact CG2-CG 4.49Å; I71-E338 CarbonylContact O-C 3.56Å; I71-E338 VanDerWaalsContact O-CA 3.3Å; I71-E338 WeakPolarHBondContact O-CA 3.42Å; I71-G339 PolarHBondContact O-N 2.97Å; I71-T382 WeakPolarHBondContact CA-O 3.28Å; I71-T382 HydrophobicContact CD1-CG2 3.5Å; I71-T382 VanDerWaalsContact CD1-CG2 3.5Å; I71-D384 HydrophobicContact CG2-CB 4.11Å |
| 72 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | trans | -84.8 | 98.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | G74 M75 T382 A383 | G72-G74 PolarHBondContact O-N 3.12Å; G72-M75 WeakPolarHBondContact O-CB 3.13Å; G72-M75 PolarHBondContact O-N 3.04Å; G72-T382 PolarHBondContact N-O 2.89Å; G72-A383 WeakPolarHBondContact O-CA 3.23Å; G72-A383 WeakPolarHBondContact O-CB 3.45Å | ||
| 73 | D | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 123.1 | 179.3 | -159.7 | -49.7 | 0 | 0 | 0 | 108.7 | I71 M75 T187 I342 D343 D384 H385 | I71-D73 PolarHBondContact O-N 3.14Å; D73-M75 VanDerWaalsContact C-N 3.27Å; D73-M75 PolarHBondContact O-N 3.14Å; D73-T187 PolarHBondContact OD2-OG1 2.88Å; D73-I342 WeakPolarHBondContact O-CB 3.49Å; D73-I342 WeakPolarHBondContact O-CG2 3.3Å; D73-D343 HydrophobicContact CB-CB 3.98Å; D73-D343 WeakPolarHBondContact O-CA 3.27Å; D73-D343 WeakPolarHBondContact O-CB 3.31Å; D73-D343 PolarHBondContact O-N 3.06Å; D73-D343 VanDerWaalsContact OD1-CB 3.23Å; D73-D343 WeakPolarHBondContact OD1-CB 3.21Å; D73-D384 VanDerWaalsContact CA-OD1 3.29Å; D73-D384 WeakPolarHBondContact CA-OD1 3.33Å; D73-H385 IonicContact OD1-CE1 3.35Å; D73-H385 IonicContact OD1-NE2 3.94Å; D73-H385 PolarHBondContact OD1-NE2 2.89Å |
| 74 | G | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 14 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | G72 S76 N346 D384 H385 | G72-G74 PolarHBondContact O-N 3.12Å; G74-S76 PolarHBondContact O-N 3.03Å; G74-N346 PolarHBondContact O-ND2 3.37Å; G74-D384 PolarHBondContact N-OD1 2.88Å; G74-H385 CarbonylContact C-O 3.59Å; G74-H385 WeakPolarHBondContact CA-O 3.49Å |
| 75 | M | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -78 | 80.7 | -178.9 | -174.1 | -174.2 | 67.9 | 0 | 0 | 112.2 | G72 D73 T79 V80 W102 I342 T358 L361 V381 A383 | G72-M75 WeakPolarHBondContact O-CB 3.13Å; G72-M75 PolarHBondContact O-N 3.04Å; D73-M75 VanDerWaalsContact C-N 3.27Å; D73-M75 PolarHBondContact O-N 3.14Å; M75-T79 HydrophobicContact CG-CG2 4.16Å; M75-V80 HydrophobicContact CE-CG2 4.25Å; M75-V80 HydrophobicContact CG-CG2 3.83Å; M75-V80 HydrophobicContact SD-CG2 3.98Å; M75-W102 HydrophobicContact SD-CZ2 4.08Å; M75-I342 HydrophobicContact CB-CD1 4.4Å; M75-I342 HydrophobicContact CB-CG2 4.32Å; M75-T358 HydrophobicContact CG-CG2 4.32Å; M75-T358 HydrophobicContact SD-CG2 3.91Å; M75-L361 HydrophobicContact CE-CD2 4.47Å; M75-L361 HydrophobicContact SD-CD2 3.98Å; M75-V381 HydrophobicContact CE-CG1 4.09Å; M75-A383 HydrophobicContact CB-CB 3.96Å; M75-A383 VanDerWaalsContact O-CB 3.3Å; M75-A383 WeakPolarHBondContact O-CB 3.42Å | ||
| 76 | S | 98.2 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -63.1 | 166.7 | 174.4 | 69.6 | 0 | 0 | 0 | 0 | 113.8 | G74 N78 T79 V80 S386 | G74-S76 PolarHBondContact O-N 3.03Å; S76-N78 PolarHBondContact O-N 3.15Å; S76-N78 PolarHBondContact OG-N 2.97Å; S76-T79 PolarHBondContact N-OG1 2.8Å; S76-T79 WeakPolarHBondContact O-CA 3.47Å; S76-T79 WeakPolarHBondContact O-CB 3.26Å; S76-T79 PolarHBondContact O-N 3.16Å; S76-T79 PolarHBondContact OG-N 3.42Å; S76-T79 PolarHBondContact OG-OG1 3.16Å; S76-V80 PolarHBondContact O-N 3.47Å; S76-S386 WeakPolarHBondContact CB-OG 3.26Å | ||
| 77 | L | 98.2 | Very high | 98.5 | Very high | 66 Ų | 66 | 15.4 Ų | 15.4 | 35% | 0.346 | 7% | 0.072 | S | C | . | . | H | α-helix | trans | -55.8 | -37.8 | 168.6 | -76.5 | 170.8 | 0 | 0 | 0 | 111.9 | V80 T81 L110 P465 | L77-V80 PolarHBondContact O-N 2.85Å; L77-T81 WeakPolarHBondContact O-CB 3.11Å; L77-T81 PolarHBondContact O-N 3.41Å; L77-T81 PolarHBondContact O-OG1 3.39Å; L77-L110 HydrophobicContact CD1-CD2 4.04Å; L77-L110 HydrophobicContact CD2-CD2 4.3Å; L77-P465 HydrophobicContact CD2-CB 3.79Å; L77-P465 HydrophobicContact CD2-CG 3.96Å |
| 78 | N | 98.1 | Very high | 98.5 | Very high | 45 Ų | 45 | 15.4 Ų | 15.4 | 24% | 0.241 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.2 | -38.1 | 174.3 | -77.8 | -63.8 | 0 | 0 | 0 | 111.8 | S76 T81 G82 Y389 V391 | S76-N78 PolarHBondContact O-N 3.15Å; S76-N78 PolarHBondContact OG-N 2.97Å; N78-T81 WeakPolarHBondContact O-CB 3.36Å; N78-T81 PolarHBondContact O-N 2.92Å; N78-G82 PolarHBondContact O-N 3.15Å; N78-Y389 HydrophobicContact CB-CD1 3.8Å; N78-Y389 HydrophobicContact CB-CE1 4.04Å; N78-Y389 WeakPolarHBondContact CB-O 3.42Å; N78-Y389 PolarHBondContact ND2-O 2.94Å; N78-Y389 WeakPolarHBondContact O-CE1 3.17Å; N78-V391 PolarHBondContact OD1-N 3.39Å |
| 79 | T | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 175.4 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | M75 S76 T81 G82 A83 I342 L355 T358 | M75-T79 HydrophobicContact CG-CG2 4.16Å; S76-T79 PolarHBondContact N-OG1 2.8Å; S76-T79 WeakPolarHBondContact O-CA 3.47Å; S76-T79 WeakPolarHBondContact O-CB 3.26Å; S76-T79 PolarHBondContact O-N 3.16Å; S76-T79 PolarHBondContact OG-N 3.42Å; S76-T79 PolarHBondContact OG-OG1 3.16Å; T79-T81 VanDerWaalsContact C-N 3.34Å; T79-T81 PolarHBondContact O-N 3Å; T79-G82 PolarHBondContact O-N 3.18Å; T79-A83 VanDerWaalsContact O-CB 3.28Å; T79-A83 WeakPolarHBondContact O-CB 3.5Å; T79-A83 PolarHBondContact O-N 3.08Å; T79-I342 HydrophobicContact CG2-CG2 3.8Å; T79-L355 HydrophobicContact CG2-CD2 4.17Å; T79-L355 WeakPolarHBondContact O-CD2 3.5Å; T79-T358 WeakPolarHBondContact CG2-OG1 3.33Å |
| 80 | V | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.3 | -45.2 | 172.5 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | M75 S76 L77 A83 R84 L100 P465 | M75-V80 HydrophobicContact CE-CG2 4.25Å; M75-V80 HydrophobicContact CG-CG2 3.83Å; M75-V80 HydrophobicContact SD-CG2 3.98Å; S76-V80 PolarHBondContact O-N 3.47Å; L77-V80 PolarHBondContact O-N 2.85Å; V80-A83 PolarHBondContact O-N 2.64Å; V80-R84 WeakPolarHBondContact O-CB 3.2Å; V80-R84 PolarHBondContact O-N 2.87Å; V80-L100 HydrophobicContact CG1-CD1 3.97Å; V80-P465 HydrophobicContact CG2-CG 4.04Å |
| 81 | T | 98.1 | Very high | 98.2 | Very high | 34 Ų | 34 | 29.4 Ų | 29.4 | 21% | 0.209 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.4 | -47.4 | 178.5 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | L77 N78 T79 A83 R84 Y85 V391 | L77-T81 WeakPolarHBondContact O-CB 3.11Å; L77-T81 PolarHBondContact O-N 3.41Å; L77-T81 PolarHBondContact O-OG1 3.39Å; N78-T81 WeakPolarHBondContact O-CB 3.36Å; N78-T81 PolarHBondContact O-N 2.92Å; T79-T81 VanDerWaalsContact C-N 3.34Å; T79-T81 PolarHBondContact O-N 3Å; T81-A83 PolarHBondContact O-N 3.41Å; T81-R84 WeakPolarHBondContact O-CB 3.49Å; T81-R84 PolarHBondContact O-N 3.49Å; T81-Y85 HydrophobicContact CG2-CD2 4.18Å; T81-Y85 HydrophobicContact CG2-CE2 3.56Å; T81-Y85 PolarHBondContact O-N 3.2Å; T81-Y85 VanDerWaalsContact O-N 3.12Å; T81-V391 HydrophobicContact CG2-CB 4.44Å; T81-V391 HydrophobicContact CG2-CG2 4.32Å |
| 82 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N78 T79 R84 Y85 L86 | N78-G82 PolarHBondContact O-N 3.15Å; T79-G82 PolarHBondContact O-N 3.18Å; G82-R84 VanDerWaalsContact C-N 3.31Å; G82-R84 PolarHBondContact O-N 3.05Å; G82-Y85 PolarHBondContact O-N 3.25Å; G82-L86 PolarHBondContact O-N 3.1Å |
| 83 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.7 | -39.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T79 V80 T81 Y85 L86 K87 L100 L355 T358 L359 | T79-A83 VanDerWaalsContact O-CB 3.28Å; T79-A83 WeakPolarHBondContact O-CB 3.5Å; T79-A83 PolarHBondContact O-N 3.08Å; V80-A83 PolarHBondContact O-N 2.64Å; T81-A83 PolarHBondContact O-N 3.41Å; A83-Y85 PolarHBondContact O-N 3.34Å; A83-L86 PolarHBondContact O-N 3.26Å; A83-K87 WeakPolarHBondContact O-CB 3.27Å; A83-K87 PolarHBondContact O-N 3.12Å; A83-L100 HydrophobicContact CB-CD1 4.27Å; A83-L355 HydrophobicContact CB-CD2 4.4Å; A83-T358 HydrophobicContact CB-CG2 3.48Å; A83-T358 VanDerWaalsContact CB-CG2 3.48Å; A83-L359 HydrophobicContact CB-CD2 4.22Å |
| 84 | R | 98 | Very high | 97.9 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 21% | 0.208 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 173.7 | -170.1 | -168.7 | -53.3 | 152.8 | 20.3 | 112.3 | V80 T81 G82 K87 A88 V98 E103 | V80-R84 WeakPolarHBondContact O-CB 3.2Å; V80-R84 PolarHBondContact O-N 2.87Å; T81-R84 WeakPolarHBondContact O-CB 3.49Å; T81-R84 PolarHBondContact O-N 3.49Å; G82-R84 VanDerWaalsContact C-N 3.31Å; G82-R84 PolarHBondContact O-N 3.05Å; R84-K87 WeakPolarHBondContact O-CB 3.44Å; R84-K87 PolarHBondContact O-N 3.02Å; R84-A88 PolarHBondContact O-N 3.11Å; R84-V98 WeakPolarHBondContact CD-O 3.44Å; R84-V98 HydrophobicContact CG-CG2 4.19Å; R84-V98 WeakPolarHBondContact CG-O 3.36Å; R84-V98 WeakPolarHBondContact O-CG2 3.45Å; R84-E103 IonicContact CZ-OE1 3.72Å; R84-E103 IonicContact CZ-OE2 3.53Å; R84-E103 IonicContact NE-OE1 3.53Å; R84-E103 PolarHBondContact NE-OE1 2.67Å; R84-E103 IonicContact NE-OE2 3.56Å; R84-E103 PolarHBondContact NE-OE2 2.83Å; R84-E103 IonicContact NH2-OE1 3.59Å; R84-E103 PolarHBondContact NH2-OE1 3.07Å; R84-E103 IonicContact NH2-OE2 3.59Å |
| 85 | Y | 98.3 | Very high | 97.6 | Very high | 78 Ų | 78 | 46.4 Ų | 46.4 | 31% | 0.306 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.8 | -41.6 | 176.9 | -63.7 | -27.6 | 0 | 0 | 0 | 112.3 | T81 G82 A83 K87 A88 E89 V391 V401 | T81-Y85 HydrophobicContact CG2-CD2 4.18Å; T81-Y85 HydrophobicContact CG2-CE2 3.56Å; T81-Y85 PolarHBondContact O-N 3.2Å; T81-Y85 VanDerWaalsContact O-N 3.12Å; G82-Y85 PolarHBondContact O-N 3.25Å; A83-Y85 PolarHBondContact O-N 3.34Å; Y85-K87 VanDerWaalsContact C-N 3.29Å; Y85-K87 PolarHBondContact O-N 3.12Å; Y85-A88 WeakPolarHBondContact O-CB 3.12Å; Y85-A88 PolarHBondContact O-N 3.01Å; Y85-E89 PolarHBondContact O-N 3.49Å; Y85-V391 HydrophobicContact CD2-CG1 4.09Å; Y85-V391 HydrophobicContact CE2-CG1 3.87Å; Y85-V401 HydrophobicContact CD2-CB 4.38Å; Y85-V401 HydrophobicContact CD2-CG2 3.91Å |
| 86 | L | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.1 | -37.4 | 173.4 | -178.1 | 63.2 | 0 | 0 | 0 | 111.9 | G82 A83 K90 L355 L359 V401 L402 | G82-L86 PolarHBondContact O-N 3.1Å; A83-L86 PolarHBondContact O-N 3.26Å; L86-K90 HydrophobicContact CG-CD 4.43Å; L86-K90 WeakPolarHBondContact O-CG 3.39Å; L86-K90 PolarHBondContact O-N 3.37Å; L86-L355 HydrophobicContact CD2-CB 3.62Å; L86-L359 HydrophobicContact CD2-CD1 4.12Å; L86-L359 HydrophobicContact CG-CD1 4.17Å; L86-V401 HydrophobicContact CB-CG1 4.16Å; L86-L402 HydrophobicContact CD1-CD1 4.1Å |
| 87 | K | 98.2 | Very high | 96.9 | Very high | 30 Ų | 30 | 52.7 Ų | 52.7 | 13% | 0.13 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 173.8 | -177.4 | 178.3 | -177.8 | 175.8 | 0 | 111.3 | A83 R84 Y85 E89 K90 M91 V98 Q99 L100 L359 E362 | A83-K87 WeakPolarHBondContact O-CB 3.27Å; A83-K87 PolarHBondContact O-N 3.12Å; R84-K87 WeakPolarHBondContact O-CB 3.44Å; R84-K87 PolarHBondContact O-N 3.02Å; Y85-K87 VanDerWaalsContact C-N 3.29Å; Y85-K87 PolarHBondContact O-N 3.12Å; K87-E89 VanDerWaalsContact C-N 3.31Å; K87-E89 PolarHBondContact O-N 2.95Å; K87-K90 PolarHBondContact O-N 3.34Å; K87-M91 HydrophobicContact CD-SD 4.36Å; K87-M91 HydrophobicContact CG-SD 3.78Å; K87-M91 WeakPolarHBondContact O-CG 3.22Å; K87-M91 PolarHBondContact O-N 2.95Å; K87-M91 VanDerWaalsContact O-N 3.09Å; K87-V98 HydrophobicContact CB-CG2 4.07Å; K87-V98 HydrophobicContact CD-CG2 4.08Å; K87-V98 HydrophobicContact CG-CG2 3.98Å; K87-Q99 PolarHBondContact NZ-O 2.86Å; K87-L100 HydrophobicContact CD-CD2 4.01Å; K87-L359 HydrophobicContact CB-CD2 3.86Å; K87-L359 HydrophobicContact CG-CD2 4.47Å; K87-E362 WeakPolarHBondContact CD-OE2 3.33Å; K87-E362 WeakPolarHBondContact CE-OE2 3.35Å; K87-E362 IonicContact NZ-OE1 3.7Å; K87-E362 PolarHBondContact NZ-OE1 2.84Å; K87-E362 IonicContact NZ-OE2 2.87Å; K87-E362 PolarHBondContact NZ-OE2 2.76Å; K87-E362 VanDerWaalsContact NZ-OE2 3.16Å |
| 88 | A | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.7 | -48.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R84 Y85 K90 M91 D92 F93 V98 | R84-A88 PolarHBondContact O-N 3.11Å; Y85-A88 WeakPolarHBondContact O-CB 3.12Å; Y85-A88 PolarHBondContact O-N 3.01Å; A88-K90 PolarHBondContact O-N 3.06Å; A88-M91 CarbonylContact O-C 3.52Å; A88-M91 WeakPolarHBondContact O-CA 3.27Å; A88-M91 PolarHBondContact O-N 3.43Å; A88-D92 PolarHBondContact O-N 2.73Å; A88-D92 VanDerWaalsContact O-N 3.11Å; A88-F93 CarbonylContact C-O 3.47Å; A88-F93 HydrophobicContact CB-CB 4.38Å; A88-F93 PolarHBondContact O-N 3.3Å; A88-V98 HydrophobicContact CB-CG1 4.32Å; A88-V98 HydrophobicContact CB-CG2 3.75Å |
| 89 | E | 96.8 | Very high | 96.8 | Very high | 84 Ų | 84 | 53 Ų | 53 | 39% | 0.393 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.5 | -48.9 | 176.3 | -178.8 | -166.5 | 155 | 0 | 0 | 111.9 | Y85 K87 M91 D92 S400 | Y85-E89 PolarHBondContact O-N 3.49Å; K87-E89 VanDerWaalsContact C-N 3.31Å; K87-E89 PolarHBondContact O-N 2.95Å; E89-M91 PolarHBondContact O-N 3.15Å; E89-M91 VanDerWaalsContact O-N 3.12Å; E89-D92 PolarHBondContact O-N 2.89Å; E89-S400 WeakPolarHBondContact OE2-CA 3.35Å; E89-S400 WeakPolarHBondContact OE2-CB 3.37Å; E89-S400 PolarHBondContact OE2-OG 2.97Å |
| 90 | K | 96.4 | Very high | 96.8 | Very high | 126 Ų | 126 | 53 Ų | 53 | 55% | 0.548 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63 | -19.5 | 178.1 | -74.2 | 179.1 | -176.5 | -61.1 | 0 | 113.6 | L86 K87 A88 L359 | L86-K90 HydrophobicContact CG-CD 4.43Å; L86-K90 WeakPolarHBondContact O-CG 3.39Å; L86-K90 PolarHBondContact O-N 3.37Å; K87-K90 PolarHBondContact O-N 3.34Å; A88-K90 PolarHBondContact O-N 3.06Å; K90-L359 HydrophobicContact CD-CD1 3.92Å |
| 91 | M | 97.1 | Very high | 96.8 | Very high | 94 Ų | 94 | 54.8 Ų | 54.8 | 46% | 0.463 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 6.5 | 178.2 | -65.2 | 176.4 | 61.9 | 0 | 0 | 112.9 | K87 A88 E89 F93 V98 | K87-M91 HydrophobicContact CD-SD 4.36Å; K87-M91 HydrophobicContact CG-SD 3.78Å; K87-M91 WeakPolarHBondContact O-CG 3.22Å; K87-M91 PolarHBondContact O-N 2.95Å; K87-M91 VanDerWaalsContact O-N 3.09Å; A88-M91 CarbonylContact O-C 3.52Å; A88-M91 WeakPolarHBondContact O-CA 3.27Å; A88-M91 PolarHBondContact O-N 3.43Å; E89-M91 PolarHBondContact O-N 3.15Å; E89-M91 VanDerWaalsContact O-N 3.12Å; M91-F93 VanDerWaalsContact C-N 3.25Å; M91-F93 HydrophobicContact CB-CD2 3.54Å; M91-F93 HydrophobicContact CB-CE2 4.04Å; M91-F93 HydrophobicContact CE-CD2 4.08Å; M91-F93 HydrophobicContact CE-CE2 3.85Å; M91-F93 WeakPolarHBondContact O-CD2 3.26Å; M91-F93 PolarHBondContact O-N 3.39Å; M91-V98 HydrophobicContact CE-CG1 4.45Å; M91-V98 HydrophobicContact SD-CG1 4.28Å |
| 92 | D | 96.1 | Very high | 96.8 | Very high | 158 Ų | 158 | 53.1 Ų | 53.1 | 85% | 0.845 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 36.1 | -176.1 | -160 | 36.2 | 0 | 0 | 0 | 113.2 | A88 E89 | A88-D92 PolarHBondContact O-N 2.73Å; A88-D92 VanDerWaalsContact O-N 3.11Å; E89-D92 PolarHBondContact O-N 2.89Å |
| 93 | F | 97.8 | Very high | 96.7 | Very high | 113 Ų | 113 | 54.8 Ų | 54.8 | 50% | 0.496 | 28% | 0.276 | S | S | . | . | trans | -110.8 | 160 | 173.5 | -72.1 | -64.3 | 0 | 0 | 0 | 111.7 | A88 M91 D97 V98 | A88-F93 CarbonylContact C-O 3.47Å; A88-F93 HydrophobicContact CB-CB 4.38Å; A88-F93 PolarHBondContact O-N 3.3Å; M91-F93 VanDerWaalsContact C-N 3.25Å; M91-F93 HydrophobicContact CB-CD2 3.54Å; M91-F93 HydrophobicContact CB-CE2 4.04Å; M91-F93 HydrophobicContact CE-CD2 4.08Å; M91-F93 HydrophobicContact CE-CE2 3.85Å; M91-F93 WeakPolarHBondContact O-CD2 3.26Å; M91-F93 PolarHBondContact O-N 3.39Å; F93-D97 HydrophobicContact CB-CB 4.32Å; F93-V98 HydrophobicContact CB-CG1 4.1Å; F93-V98 HydrophobicContact CD2-CG1 3.87Å; F93-V98 HydrophobicContact CG-CG1 4.24Å | ||
| 94 | L | 97.1 | Very high | 96.6 | Very high | 73 Ų | 73 | 60.8 Ų | 60.8 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | trans | -70.4 | 147.3 | 174.8 | -59.8 | 174.7 | 0 | 0 | 0 | 110.9 | G96 D97 R397 N398 | L94-G96 PolarHBondContact O-N 3.04Å; L94-G96 VanDerWaalsContact O-N 3.16Å; L94-D97 WeakPolarHBondContact CB-OD2 3.26Å; L94-D97 WeakPolarHBondContact O-CB 3.48Å; L94-D97 PolarHBondContact O-N 3.17Å; L94-R397 HydrophobicContact CB-CB 4.32Å; L94-N398 HydrophobicContact CD2-CB 3.68Å | ||
| 95 | G | 92.4 | Very high | 96.6 | Very high | 14 Ų | 14 | 59.3 Ų | 59.3 | 14% | 0.144 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 122.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R397 | G95-R397 PolarHBondContact N-O 3.44Å; G95-R397 VanDerWaalsContact O-CZ 3.31Å; G95-R397 PolarHBondContact O-NE 3.26Å; G95-R397 PolarHBondContact O-NH2 3.44Å |
| 96 | G | 87 | Confident | 96.5 | Very high | 40 Ų | 40 | 60 Ų | 60 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -5.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L94 V98 | L94-G96 PolarHBondContact O-N 3.04Å; L94-G96 VanDerWaalsContact O-N 3.16Å; G96-V98 VanDerWaalsContact C-N 3.32Å |
| 97 | D | 94.6 | Very high | 96.5 | Very high | 91 Ų | 91 | 60.4 Ų | 60.4 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -79.7 | -14.1 | 176.6 | -75.4 | -11.2 | 0 | 0 | 0 | 113.5 | F93 L94 R397 | F93-D97 HydrophobicContact CB-CB 4.32Å; L94-D97 WeakPolarHBondContact CB-OD2 3.26Å; L94-D97 WeakPolarHBondContact O-CB 3.48Å; L94-D97 PolarHBondContact O-N 3.17Å; D97-R397 IonicContact OD1-CZ 3.37Å; D97-R397 IonicContact OD1-NH1 2.89Å; D97-R397 IonicContact OD1-NH2 2.85Å; D97-R397 PolarHBondContact OD1-NH2 3.16Å; D97-R397 IonicContact OD2-NH2 2.69Å |
| 98 | V | 97 | Very high | 96.5 | Very high | 14 Ų | 14 | 62 Ų | 62 | 9% | 0.085 | 34% | 0.338 | C | S | . | . | trans | -115.2 | 160.4 | 179.3 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | R84 K87 A88 M91 F93 G96 | R84-V98 WeakPolarHBondContact CD-O 3.44Å; R84-V98 HydrophobicContact CG-CG2 4.19Å; R84-V98 WeakPolarHBondContact CG-O 3.36Å; R84-V98 WeakPolarHBondContact O-CG2 3.45Å; K87-V98 HydrophobicContact CB-CG2 4.07Å; K87-V98 HydrophobicContact CD-CG2 4.08Å; K87-V98 HydrophobicContact CG-CG2 3.98Å; A88-V98 HydrophobicContact CB-CG1 4.32Å; A88-V98 HydrophobicContact CB-CG2 3.75Å; M91-V98 HydrophobicContact CE-CG1 4.45Å; M91-V98 HydrophobicContact SD-CG1 4.28Å; F93-V98 HydrophobicContact CB-CG1 4.1Å; F93-V98 HydrophobicContact CD2-CG1 3.87Å; F93-V98 HydrophobicContact CG-CG1 4.24Å; G96-V98 VanDerWaalsContact C-N 3.32Å | ||
| 99 | Q | 97.2 | Very high | 96.5 | Very high | 105 Ų | 105 | 62.9 Ų | 62.9 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | trans | -121.6 | 153.5 | 173.3 | -74.9 | -179.7 | -26.8 | 0 | 0 | 109.7 | K87 E103 | K87-Q99 PolarHBondContact NZ-O 2.86Å; Q99-E103 HydrophobicContact CB-CB 4.16Å; Q99-E103 HydrophobicContact CG-CB 4.41Å | ||
| 100 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | -70.3 | 150.1 | 160.2 | -53.6 | 176.1 | 0 | 0 | 0 | 109.2 | V80 A83 K87 W102 E103 T358 L359 E362 | V80-L100 HydrophobicContact CG1-CD1 3.97Å; A83-L100 HydrophobicContact CB-CD1 4.27Å; K87-L100 HydrophobicContact CD-CD2 4.01Å; L100-W102 HydrophobicContact CB-CD2 4.22Å; L100-W102 HydrophobicContact CB-CZ2 4Å; L100-W102 HydrophobicContact CD1-CH2 4.19Å; L100-W102 HydrophobicContact CD1-CZ2 3.33Å; L100-W102 HydrophobicContact CG-CZ2 4.25Å; L100-W102 PolarHBondContact O-N 3.12Å; L100-E103 HydrophobicContact CB-CG 4.02Å; L100-E103 PolarHBondContact N-OE2 2.93Å; L100-E103 WeakPolarHBondContact O-CB 3.45Å; L100-E103 PolarHBondContact O-N 2.66Å; L100-T358 HydrophobicContact CD1-CG2 4.28Å; L100-L359 HydrophobicContact CD2-CD2 3.8Å; L100-E362 WeakPolarHBondContact CA-OE1 3.3Å | ||
| 101 | V | 98.1 | Very high | 96.7 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -54.1 | -35.4 | -171.1 | 70.6 | 0 | 0 | 0 | 0 | 113.5 | W105 E362 V365 E366 L369 | V101-W105 PolarHBondContact O-NE1 3.14Å; V101-E362 HydrophobicContact CB-CG 4.35Å; V101-E362 HydrophobicContact CG1-CG 3.99Å; V101-E362 PolarHBondContact N-OE1 3.31Å; V101-V365 HydrophobicContact CG1-CB 3.98Å; V101-V365 HydrophobicContact CG1-CG1 3.63Å; V101-E366 HydrophobicContact CB-CG 3.99Å; V101-E366 HydrophobicContact CG1-CG 4.01Å; V101-E366 HydrophobicContact CG2-CG 3.99Å; V101-L369 HydrophobicContact CG2-CD1 3.76Å |
| 102 | W | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -80.7 | -13.5 | -179.8 | 55.5 | 73.2 | 0 | 0 | 0 | 114.1 | M75 L100 N104 W105 T358 L361 E362 V365 V381 Y467 | M75-W102 HydrophobicContact SD-CZ2 4.08Å; L100-W102 HydrophobicContact CB-CD2 4.22Å; L100-W102 HydrophobicContact CB-CZ2 4Å; L100-W102 HydrophobicContact CD1-CH2 4.19Å; L100-W102 HydrophobicContact CD1-CZ2 3.33Å; L100-W102 HydrophobicContact CG-CZ2 4.25Å; L100-W102 PolarHBondContact O-N 3.12Å; W102-N104 PolarHBondContact O-N 2.9Å; W102-W105 HydrophobicContact CB-CD2 3.8Å; W102-W105 HydrophobicContact CB-CE3 3.98Å; W102-W105 HydrophobicContact CB-CG 4.33Å; W102-W105 HydrophobicContact CB-CH2 4.28Å; W102-W105 HydrophobicContact CB-CZ2 4.11Å; W102-W105 HydrophobicContact CB-CZ3 4.22Å; W102-W105 WeakPolarHBondContact O-CB 3.44Å; W102-W105 PolarHBondContact O-N 2.7Å; W102-T358 HydrophobicContact CZ2-CG2 4.44Å; W102-L361 HydrophobicContact CH2-CB 4.41Å; W102-L361 HydrophobicContact CH2-CD2 4.23Å; W102-L361 HydrophobicContact CH2-CG 4.21Å; W102-L361 HydrophobicContact CZ3-CG 4.25Å; W102-E362 HydrophobicContact CH2-CB 4Å; W102-E362 HydrophobicContact CZ3-CB 3.84Å; W102-V365 HydrophobicContact CE3-CB 4.04Å; W102-V365 HydrophobicContact CE3-CG1 4.17Å; W102-V365 HydrophobicContact CE3-CG2 3.76Å; W102-V365 HydrophobicContact CZ3-CB 4.24Å; W102-V365 HydrophobicContact CZ3-CG2 3.78Å; W102-V381 HydrophobicContact CB-CB 4.27Å; W102-V381 HydrophobicContact CB-CG2 4.03Å; W102-V381 HydrophobicContact CD2-CB 4.29Å; W102-V381 HydrophobicContact CD2-CG1 3.75Å; W102-V381 HydrophobicContact CD2-CG2 4.22Å; W102-V381 HydrophobicContact CE3-CB 4.48Å; W102-V381 HydrophobicContact CE3-CG1 3.93Å; W102-V381 HydrophobicContact CE3-CG2 4Å; W102-V381 HydrophobicContact CG-CB 4.19Å; W102-V381 HydrophobicContact CG-CG1 4.05Å; W102-V381 HydrophobicContact CG-CG2 4.25Å; W102-V381 HydrophobicContact CH2-CG1 4.48Å; W102-V381 HydrophobicContact CZ2-CG1 4.34Å; W102-V381 HydrophobicContact CZ3-CG1 4.24Å; W102-Y467 HydrophobicContact CB-CD2 4.5Å; W102-Y467 HydrophobicContact CB-CG 4.2Å; W102-Y467 AromaticContact CD1-CD1 3.94Å; W102-Y467 AromaticContact CD1-CD2 3.26Å; W102-Y467 AromaticContact CD1-CE2 3.36Å; W102-Y467 AromaticContact CD1-CG 3.57Å; W102-Y467 AromaticContact CD1-CZ 3.77Å; W102-Y467 HydrophobicContact CG-CD2 4.05Å; W102-Y467 HydrophobicContact CG-CE2 4.48Å; W102-Y467 HydrophobicContact CG-CG 4.19Å; W102-Y467 AromaticContact NE1-CD2 3.83Å; W102-Y467 AromaticContact NE1-CE2 3.55Å; W102-Y467 VanDerWaalsContact O-CD1 3.27Å; W102-Y467 WeakPolarHBondContact O-CD1 3.33Å |
| 103 | E | 97.8 | Very high | 96.8 | Very high | 34 Ų | 34 | 48 Ų | 48 | 16% | 0.159 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -74.8 | -15.2 | 177.8 | -56.1 | -168.4 | 85.7 | 0 | 0 | 112.6 | R84 Q99 L100 W105 Y467 | R84-E103 IonicContact CZ-OE1 3.72Å; R84-E103 IonicContact CZ-OE2 3.53Å; R84-E103 IonicContact NE-OE1 3.53Å; R84-E103 PolarHBondContact NE-OE1 2.67Å; R84-E103 IonicContact NE-OE2 3.56Å; R84-E103 PolarHBondContact NE-OE2 2.83Å; R84-E103 IonicContact NH2-OE1 3.59Å; R84-E103 PolarHBondContact NH2-OE1 3.07Å; R84-E103 IonicContact NH2-OE2 3.59Å; Q99-E103 HydrophobicContact CB-CB 4.16Å; Q99-E103 HydrophobicContact CG-CB 4.41Å; L100-E103 HydrophobicContact CB-CG 4.02Å; L100-E103 PolarHBondContact N-OE2 2.93Å; L100-E103 WeakPolarHBondContact O-CB 3.45Å; L100-E103 PolarHBondContact O-N 2.66Å; E103-W105 VanDerWaalsContact C-N 3.34Å; E103-Y467 HydrophobicContact CB-CE1 4.45Å; E103-Y467 HydrophobicContact CG-CE1 4.13Å |
| 104 | N | 95.6 | Very high | 96.8 | Very high | 127 Ų | 127 | 45.1 Ų | 45.1 | 68% | 0.679 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -94.3 | 12.7 | 172.3 | -169.3 | 47.2 | 0 | 0 | 0 | 112.6 | W102 | W102-N104 PolarHBondContact O-N 2.9Š|
| 105 | W | 98.2 | Very high | 96.8 | Very high | 23 Ų | 23 | 41.8 Ų | 41.8 | 9% | 0.087 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -77.4 | 155.7 | 177.6 | -73.4 | 4 | 0 | 0 | 0 | 112.1 | V101 W102 E103 V107 V365 L369 L379 V381 N469 | V101-W105 PolarHBondContact O-NE1 3.14Å; W102-W105 HydrophobicContact CB-CD2 3.8Å; W102-W105 HydrophobicContact CB-CE3 3.98Å; W102-W105 HydrophobicContact CB-CG 4.33Å; W102-W105 HydrophobicContact CB-CH2 4.28Å; W102-W105 HydrophobicContact CB-CZ2 4.11Å; W102-W105 HydrophobicContact CB-CZ3 4.22Å; W102-W105 WeakPolarHBondContact O-CB 3.44Å; W102-W105 PolarHBondContact O-N 2.7Å; E103-W105 VanDerWaalsContact C-N 3.34Å; W105-V107 PolarHBondContact O-N 2.66Å; W105-V107 VanDerWaalsContact O-N 3.15Å; W105-V365 HydrophobicContact CH2-CG1 3.89Å; W105-V365 HydrophobicContact CZ2-CG1 3.49Å; W105-V365 VanDerWaalsContact CZ2-CG1 3.49Å; W105-L369 HydrophobicContact CZ2-CD1 4.2Å; W105-L369 HydrophobicContact CZ2-CD2 4.25Å; W105-L369 HydrophobicContact CZ2-CG 4.48Å; W105-L379 HydrophobicContact CH2-CB 3.58Å; W105-L379 HydrophobicContact CZ2-CB 4.25Å; W105-L379 HydrophobicContact CZ3-CB 4Å; W105-V381 HydrophobicContact CH2-CG2 3.51Å; W105-V381 HydrophobicContact CZ2-CG2 4.42Å; W105-V381 HydrophobicContact CZ3-CB 4.27Å; W105-V381 HydrophobicContact CZ3-CG2 3.67Å; W105-N469 HydrophobicContact CB-CB 4.19Å; W105-N469 HydrophobicContact CD2-CB 3.47Å; W105-N469 VanDerWaalsContact CD2-CB 3.47Å; W105-N469 HydrophobicContact CE3-CB 3.7Å; W105-N469 HydrophobicContact CG-CB 3.71Å; W105-N469 HydrophobicContact CZ2-CB 4.4Å; W105-N469 HydrophobicContact CZ3-CB 4.25Å |
| 106 | P | 96.6 | Very high | 96.9 | Very high | 94 Ų | 94 | 42.5 Ų | 42.5 | 61% | 0.61 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -64.6 | -20.8 | -174.9 | 25.4 | -35.8 | 0 | 0 | 0 | 113.9 | ||
| 107 | V | 97.8 | Very high | 97.3 | Very high | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 127.8 | -179.3 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | W105 Y467 A468 F476 H477 | W105-V107 PolarHBondContact O-N 2.66Å; W105-V107 VanDerWaalsContact O-N 3.15Å; V107-Y467 CarbonylContact O-C 3.48Å; V107-Y467 VanDerWaalsContact O-CA 3.29Å; V107-Y467 WeakPolarHBondContact O-CA 3.33Å; V107-A468 HydrophobicContact CB-CB 4.07Å; V107-A468 HydrophobicContact CG1-CB 4.13Å; V107-A468 PolarHBondContact N-O 3.42Å; V107-A468 PolarHBondContact O-N 2.88Å; V107-F476 VanDerWaalsContact CG1-C 3.5Å; V107-F476 HydrophobicContact CG1-CB 3.98Å; V107-F476 WeakPolarHBondContact CG1-O 3.38Å; V107-H477 HydrophobicContact CG1-CB 4.42Å |
| 108 | A | 98.1 | Very high | 97.3 | Very high | 64 Ų | 64 | 46.6 Ų | 46.6 | 53% | 0.529 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 132.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | I466 Y467 | A108-I466 CarbonylContact C-O 3.56Å; A108-I466 WeakPolarHBondContact CA-O 3.41Å; A108-Y467 HydrophobicContact CB-CD1 3.63Å; A108-Y467 HydrophobicContact CB-CE1 3.81Å |
| 109 | S | 98.2 | Very high | 97.3 | Very high | 19 Ų | 19 | 52.8 Ų | 52.8 | 13% | 0.133 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | -171.9 | -175.9 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | P465 I466 F476 S478 S479 | S109-P465 WeakPolarHBondContact O-CA 3.13Å; S109-I466 PolarHBondContact N-O 3.34Å; S109-I466 PolarHBondContact O-N 2.91Å; S109-F476 WeakPolarHBondContact CB-O 3.45Å; S109-F476 PolarHBondContact OG-O 3.3Å; S109-S478 WeakPolarHBondContact OG-CA 3.36Å; S109-S478 PolarHBondContact OG-N 3.28Å; S109-S478 PolarHBondContact OG-O 2.64Å; S109-S478 VanDerWaalsContact OG-O 3.04Å; S109-S479 PolarHBondContact OG-N 2.75Å |
| 110 | L | 98.6 | Very high | 97.3 | Very high | 67 Ų | 67 | 50 Ų | 50 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 146 | -177.3 | -63.3 | 178.4 | 0 | 0 | 0 | 111.7 | L77 D463 V464 S479 L480 | L77-L110 HydrophobicContact CD1-CD2 4.04Å; L77-L110 HydrophobicContact CD2-CD2 4.3Å; L110-D463 HydrophobicContact CB-CB 3.98Å; L110-V464 CarbonylContact C-O 3.47Å; L110-V464 WeakPolarHBondContact CA-O 3.2Å; L110-S479 VanDerWaalsContact O-CA 3.26Å; L110-S479 WeakPolarHBondContact O-CA 3.35Å; L110-L480 PolarHBondContact O-N 3.3Å |
| 111 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.3 | -178.4 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | T113 D463 V464 I466 L480 N482 I485 | V111-T113 HydrophobicContact CG1-CG2 4.48Å; V111-D463 CarbonylContact O-C 3.13Å; V111-D463 VanDerWaalsContact O-CA 3.26Å; V111-D463 WeakPolarHBondContact O-CA 3.41Å; V111-V464 HydrophobicContact CB-CG2 3.86Å; V111-V464 HydrophobicContact CG1-CG2 4.49Å; V111-V464 PolarHBondContact N-O 2.93Å; V111-V464 PolarHBondContact O-N 2.63Å; V111-I466 HydrophobicContact CG2-CB 3.51Å; V111-I466 HydrophobicContact CG2-CD1 4.15Å; V111-I466 HydrophobicContact CG2-CG1 4.46Å; V111-I466 HydrophobicContact CG2-CG2 3.36Å; V111-L480 WeakPolarHBondContact CA-O 3.39Å; V111-L480 HydrophobicContact CB-CD1 4.37Å; V111-L480 HydrophobicContact CG1-CD1 4Å; V111-L480 HydrophobicContact CG2-CD1 3.69Å; V111-L480 HydrophobicContact CG2-CG 4.07Å; V111-N482 VanDerWaalsContact CG1-CA 3.48Å; V111-N482 HydrophobicContact CG1-CB 3.58Å; V111-I485 HydrophobicContact CG1-CD1 4.37Å |
| 112 | R | 98.1 | Very high | 97.3 | Very high | 80 Ų | 80 | 48.3 Ų | 48.3 | 30% | 0.302 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 132.2 | 171.7 | -64.7 | 175.4 | -63.3 | 90 | -4 | 110.3 | F114 D463 L480 D481 N482 | R112-F114 HydrophobicContact CB-CD1 4.47Å; R112-D463 VanDerWaalsContact CG-OD1 3.3Å; R112-D463 WeakPolarHBondContact CG-OD1 3.35Å; R112-L480 PolarHBondContact N-O 3.4Å; R112-D481 IonicContact CZ-OD2 2.79Å; R112-D481 IonicContact NH1-OD2 3.12Å; R112-D481 PolarHBondContact NH1-OD2 3.07Å; R112-D481 VanDerWaalsContact NH2-CB 3.29Å; R112-D481 IonicContact NH2-OD2 2.57Å; R112-N482 PolarHBondContact O-N 3.28Å |
| 113 | T | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | trans | -116.3 | -3.9 | -166.4 | 56.2 | 0 | 0 | 0 | 0 | 115.6 | V111 T121 D384 V464 N482 | V111-T113 HydrophobicContact CG1-CG2 4.48Å; T113-T121 WeakPolarHBondContact O-CB 3.43Å; T113-T121 WeakPolarHBondContact O-CG2 3.37Å; T113-D384 VanDerWaalsContact CB-O 3.28Å; T113-D384 WeakPolarHBondContact CB-O 3.17Å; T113-D384 WeakPolarHBondContact CG2-O 3.41Å; T113-V464 HydrophobicContact CG2-CB 4.47Å; T113-V464 HydrophobicContact CG2-CG1 4.06Å; T113-V464 HydrophobicContact CG2-CG2 3.62Å; T113-N482 WeakPolarHBondContact CA-ND2 3.1Å; T113-N482 PolarHBondContact O-ND2 3.26Å | ||
| 114 | F | 97.5 | Very high | 97.4 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 23% | 0.228 | 25% | 0.249 | C | C | . | . | trans | -48.3 | 154 | -180 | 75.9 | -100.8 | 0 | 0 | 0 | 113.5 | V35 W41 R112 L119 K135 | V35-F114 HydrophobicContact CG1-CE2 3.88Å; V35-F114 HydrophobicContact CG2-CE2 4.21Å; W41-F114 HydrophobicContact CH2-CE2 4.39Å; W41-F114 AromaticContact CH2-CZ 3.95Å; W41-F114 HydrophobicContact CH2-CZ 3.95Å; R112-F114 HydrophobicContact CB-CD1 4.47Å; F114-L119 WeakPolarHBondContact CB-O 3.16Å; F114-K135 WeakPolarHBondContact O-CD 3.44Å; F114-K135 WeakPolarHBondContact O-CE 3.33Å; F114-K135 PolarHBondContact O-NZ 2.92Å | ||
| 115 | N | 96.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | trans | -109.8 | -173.9 | -179.3 | 76.5 | 1.6 | 0 | 0 | 0 | 111.9 | D117 R118 S125 G136 F138 | N115-D117 PolarHBondContact O-N 3.2Å; N115-D117 VanDerWaalsContact O-N 3.12Å; N115-D117 PolarHBondContact OD1-N 3.48Å; N115-D117 PolarHBondContact OD1-OD1 3.12Å; N115-D117 VanDerWaalsContact OD1-OD1 3.12Å; N115-R118 PolarHBondContact N-O 3.44Å; N115-R118 WeakPolarHBondContact OD1-CA 3.42Å; N115-R118 VanDerWaalsContact OD1-CB 3.3Å; N115-R118 WeakPolarHBondContact OD1-CB 3.07Å; N115-R118 PolarHBondContact OD1-N 2.98Å; N115-R118 PolarHBondContact OD1-O 2.91Å; N115-S125 PolarHBondContact ND2-OG 3.3Å; N115-G136 WeakPolarHBondContact CB-O 3.34Å; N115-F138 WeakPolarHBondContact ND2-CA 3.38Å; N115-F138 WeakPolarHBondContact ND2-CB 3.16Å; N115-F138 PolarHBondContact ND2-N 3.2Å; N115-F138 VanDerWaalsContact ND2-N 3.15Å | ||
| 116 | S | 95.2 | Very high | 97.5 | Very high | 29 Ų | 29 | 39.6 Ų | 39.6 | 20% | 0.203 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -66.5 | -20.6 | -169.1 | 65.1 | 0 | 0 | 0 | 0 | 115.2 | G136 P137 | S116-G136 PolarHBondContact N-O 2.85Å; S116-G136 VanDerWaalsContact OG-C 3.23Å; S116-G136 PolarHBondContact OG-O 3.48Å; S116-P137 WeakPolarHBondContact OG-CA 3.33Å; S116-P137 VanDerWaalsContact OG-N 3.14Å |
| 117 | D | 94.7 | Very high | 97.6 | Very high | 94 Ų | 94 | 35.1 Ų | 35.1 | 50% | 0.503 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -132.7 | -0.7 | -171.7 | 66.5 | -25.3 | 0 | 0 | 0 | 114.8 | N115 F138 | N115-D117 PolarHBondContact O-N 3.2Å; N115-D117 VanDerWaalsContact O-N 3.12Å; N115-D117 PolarHBondContact OD1-N 3.48Å; N115-D117 PolarHBondContact OD1-OD1 3.12Å; N115-D117 VanDerWaalsContact OD1-OD1 3.12Å; D117-F138 PolarHBondContact OD1-N 3.42Å |
| 118 | R | 95.4 | Very high | 97.7 | Very high | 123 Ų | 123 | 34.6 Ų | 34.6 | 46% | 0.464 | 18% | 0.181 | S | C | . | . | trans | -141.7 | 148.4 | 179.1 | -56.4 | -159.5 | -174.5 | 176.8 | 1.7 | 113.3 | N115 T120 F138 | N115-R118 PolarHBondContact N-O 3.44Å; N115-R118 WeakPolarHBondContact OD1-CA 3.42Å; N115-R118 VanDerWaalsContact OD1-CB 3.3Å; N115-R118 WeakPolarHBondContact OD1-CB 3.07Å; N115-R118 PolarHBondContact OD1-N 2.98Å; N115-R118 PolarHBondContact OD1-O 2.91Å; R118-T120 VanDerWaalsContact C-N 3.33Å; R118-T120 WeakPolarHBondContact CB-O 3.35Å; R118-F138 VanDerWaalsContact CD-CD2 3.49Å; R118-F138 HydrophobicContact CG-CB 4.15Å; R118-F138 HydrophobicContact CG-CD2 4.3Å; R118-F138 HydrophobicContact CG-CG 4.43Å; R118-F138 VanDerWaalsContact NH1-CD1 3.28Å; R118-F138 VanDerWaalsContact NH2-CD1 3.32Å | ||
| 119 | L | 96.1 | Very high | 97.7 | Very high | 144 Ų | 144 | 31.6 Ų | 31.6 | 75% | 0.754 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -66.5 | -36.4 | 172.9 | -63 | 177.3 | 0 | 0 | 0 | 112.1 | F114 A461 | F114-L119 WeakPolarHBondContact CB-O 3.16Å; L119-A461 WeakPolarHBondContact O-CB 3.45Å |
| 120 | T | 98.2 | Very high | 97.7 | Very high | 46 Ų | 46 | 30.7 Ų | 30.7 | 28% | 0.282 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -105.6 | 120.1 | 175.6 | -47.4 | 0 | 0 | 0 | 0 | 108.9 | R118 H459 | R118-T120 VanDerWaalsContact C-N 3.33Å; R118-T120 WeakPolarHBondContact CB-O 3.35Å; T120-H459 HydrophobicContact CG2-CB 3.56Å |
| 121 | T | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -78.8 | 159.2 | 176 | -169.4 | 0 | 0 | 0 | 0 | 111.7 | T113 S125 A126 H385 H459 | T113-T121 WeakPolarHBondContact O-CB 3.43Å; T113-T121 WeakPolarHBondContact O-CG2 3.37Å; T121-S125 WeakPolarHBondContact OG1-CB 3.3Å; T121-A126 HydrophobicContact CG2-CB 3.7Å; T121-A126 PolarHBondContact OG1-N 2.94Å; T121-H385 HydrophobicContact CG2-CB 3.68Å; T121-H459 PolarHBondContact O-ND1 3.38Å | ||
| 122 | D | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | trans | -95.2 | 165.6 | 158.8 | 76.7 | -41.6 | 0 | 0 | 0 | 110.2 | G124 S125 A126 F138 N139 R198 | D122-G124 VanDerWaalsContact C-N 3.31Å; D122-G124 PolarHBondContact O-N 2.97Å; D122-S125 PolarHBondContact O-N 3.38Å; D122-S125 WeakPolarHBondContact OD1-CB 3.2Å; D122-S125 PolarHBondContact OD1-N 2.99Å; D122-S125 PolarHBondContact OD1-OG 3.1Å; D122-A126 WeakPolarHBondContact O-CB 3.29Å; D122-A126 PolarHBondContact O-N 3.47Å; D122-F138 HydrophobicContact CB-CD2 3.92Å; D122-F138 HydrophobicContact CB-CE2 3.58Å; D122-F138 HydrophobicContact CB-CZ 4.04Å; D122-N139 WeakPolarHBondContact OD2-CA 3.45Å; D122-N139 PolarHBondContact OD2-N 3.31Å; D122-R198 VanDerWaalsContact CG-NH1 3.26Å; D122-R198 WeakPolarHBondContact OD2-CD 3.12Å; D122-R198 IonicContact OD2-CZ 3.66Å; D122-R198 IonicContact OD2-NE 3.82Å; D122-R198 IonicContact OD2-NH1 2.65Å; D122-R198 PolarHBondContact OD2-NH1 3.1Å | ||
| 123 | S | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.7 | -39.2 | -179 | -18 | 0 | 0 | 0 | 0 | 113.8 | A126 A127 T187 R198 D384 H385 | S123-A126 PolarHBondContact O-N 3Å; S123-A127 WeakPolarHBondContact O-CB 3.27Å; S123-A127 PolarHBondContact O-N 3.49Å; S123-T187 VanDerWaalsContact CB-OG1 3.22Å; S123-T187 WeakPolarHBondContact CB-OG1 3.42Å; S123-R198 PolarHBondContact OG-NH2 2.77Å; S123-R198 VanDerWaalsContact OG-NH2 3.16Å; S123-D384 VanDerWaalsContact CA-OD2 3.25Å; S123-D384 WeakPolarHBondContact CA-OD2 3.2Å; S123-D384 WeakPolarHBondContact CB-OD2 3.37Å; S123-H385 PolarHBondContact OG-NE2 2.98Å |
| 124 | G | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D122 T128 T140 | D122-G124 VanDerWaalsContact C-N 3.31Å; D122-G124 PolarHBondContact O-N 2.97Å; G124-T128 PolarHBondContact O-N 2.9Å; G124-T128 PolarHBondContact O-OG1 2.82Å; G124-T140 CarbonylContact C-O 3.36Å; G124-T140 WeakPolarHBondContact CA-O 3.47Å |
| 125 | S | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.007 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -70.5 | -36.6 | 177.3 | -54.7 | 0 | 0 | 0 | 0 | 112 | N115 T121 D122 T128 A129 P137 F138 T140 | N115-S125 PolarHBondContact ND2-OG 3.3Å; T121-S125 WeakPolarHBondContact OG1-CB 3.3Å; D122-S125 PolarHBondContact O-N 3.38Å; D122-S125 WeakPolarHBondContact OD1-CB 3.2Å; D122-S125 PolarHBondContact OD1-N 2.99Å; D122-S125 PolarHBondContact OD1-OG 3.1Å; S125-T128 WeakPolarHBondContact O-CB 3.39Å; S125-T128 PolarHBondContact O-N 2.92Å; S125-A129 PolarHBondContact O-N 3.4Å; S125-A129 VanDerWaalsContact O-N 3.11Å; S125-P137 VanDerWaalsContact OG-C 3.29Å; S125-P137 PolarHBondContact OG-O 3.1Å; S125-F138 WeakPolarHBondContact OG-CA 3.35Å; S125-T140 PolarHBondContact N-O 3.22Å |
| 126 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.5 | -48.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T121 D122 S123 T128 A129 F130 D384 | T121-A126 HydrophobicContact CG2-CB 3.7Å; T121-A126 PolarHBondContact OG1-N 2.94Å; D122-A126 WeakPolarHBondContact O-CB 3.29Å; D122-A126 PolarHBondContact O-N 3.47Å; S123-A126 PolarHBondContact O-N 3Å; A126-T128 VanDerWaalsContact C-N 3.32Å; A126-T128 PolarHBondContact O-N 2.95Å; A126-A129 WeakPolarHBondContact O-CA 3.21Å; A126-A129 WeakPolarHBondContact O-CB 3.33Å; A126-A129 PolarHBondContact O-N 3.37Å; A126-F130 WeakPolarHBondContact O-CD1 3.28Å; A126-F130 PolarHBondContact O-N 3.2Å; A126-D384 HydrophobicContact CB-CB 3.75Å; A126-D384 VanDerWaalsContact CB-O 3.31Å; A126-D384 WeakPolarHBondContact CB-O 3.23Å |
| 127 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.1 | -39.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S123 A129 F130 M131 T187 A190 | S123-A127 WeakPolarHBondContact O-CB 3.27Å; S123-A127 PolarHBondContact O-N 3.49Å; A127-A129 VanDerWaalsContact C-N 3.27Å; A127-A129 PolarHBondContact O-N 2.97Å; A127-F130 VanDerWaalsContact CA-CZ 3.5Å; A127-F130 HydrophobicContact CB-CE1 3.86Å; A127-F130 HydrophobicContact CB-CE2 4.48Å; A127-F130 HydrophobicContact CB-CZ 3.74Å; A127-M131 HydrophobicContact CB-CE 4.01Å; A127-M131 WeakPolarHBondContact O-CB 3.35Å; A127-M131 VanDerWaalsContact O-CG 3.24Å; A127-M131 WeakPolarHBondContact O-CG 3.48Å; A127-M131 PolarHBondContact O-N 2.93Å; A127-T187 HydrophobicContact CB-CG2 4.27Å; A127-A190 HydrophobicContact CB-CB 3.43Å; A127-A190 VanDerWaalsContact CB-CB 3.43Å |
| 128 | T | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56.4 | -43.9 | 171 | -57 | 0 | 0 | 0 | 0 | 111.5 | G124 S125 A126 S132 V134 G142 A161 | G124-T128 PolarHBondContact O-N 2.9Å; G124-T128 PolarHBondContact O-OG1 2.82Å; S125-T128 WeakPolarHBondContact O-CB 3.39Å; S125-T128 PolarHBondContact O-N 2.92Å; A126-T128 VanDerWaalsContact C-N 3.32Å; A126-T128 PolarHBondContact O-N 2.95Å; T128-S132 WeakPolarHBondContact O-CA 3.26Å; T128-S132 WeakPolarHBondContact O-CB 3.42Å; T128-S132 PolarHBondContact O-N 2.93Å; T128-S132 PolarHBondContact O-OG 3.45Å; T128-V134 HydrophobicContact CG2-CG2 4.16Å; T128-G142 PolarHBondContact OG1-N 3.4Å; T128-A161 HydrophobicContact CG2-CB 3.76Å |
| 129 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.9 | -56.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S125 A126 A127 M131 G133 V134 K135 N482 T483 | S125-A129 PolarHBondContact O-N 3.4Å; S125-A129 VanDerWaalsContact O-N 3.11Å; A126-A129 WeakPolarHBondContact O-CA 3.21Å; A126-A129 WeakPolarHBondContact O-CB 3.33Å; A126-A129 PolarHBondContact O-N 3.37Å; A127-A129 VanDerWaalsContact C-N 3.27Å; A127-A129 PolarHBondContact O-N 2.97Å; A129-M131 VanDerWaalsContact C-N 3.28Å; A129-M131 PolarHBondContact O-N 2.78Å; A129-G133 WeakPolarHBondContact O-CA 3.31Å; A129-G133 PolarHBondContact O-N 3.32Å; A129-V134 WeakPolarHBondContact CA-O 3.49Å; A129-V134 PolarHBondContact N-O 3.01Å; A129-K135 HydrophobicContact CB-CD 4.25Å; A129-N482 HydrophobicContact CB-CB 4.46Å; A129-N482 VanDerWaalsContact CB-OD1 3.26Å; A129-N482 WeakPolarHBondContact CB-OD1 3.49Å; A129-T483 HydrophobicContact CB-CG2 3.84Å; A129-T483 WeakPolarHBondContact O-CA 3.38Å |
| 130 | F | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 8 Ų | 8 | 0% | 0.004 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -74.4 | -15.6 | -174.6 | 70.1 | -112.7 | 0 | 0 | 0 | 114.3 | L69 I71 A126 A127 T187 L336 D384 N482 I485 A486 | L69-F130 HydrophobicContact CD2-CD2 3.75Å; L69-F130 HydrophobicContact CD2-CE2 4.09Å; I71-F130 HydrophobicContact CD1-CD1 4.45Å; I71-F130 HydrophobicContact CD1-CD2 4.07Å; I71-F130 HydrophobicContact CD1-CE1 4.12Å; I71-F130 HydrophobicContact CD1-CE2 3.71Å; I71-F130 HydrophobicContact CD1-CG 4.44Å; I71-F130 HydrophobicContact CD1-CZ 3.75Å; I71-F130 HydrophobicContact CG1-CE1 4.44Å; I71-F130 HydrophobicContact CG1-CE2 3.73Å; I71-F130 HydrophobicContact CG1-CZ 3.68Å; I71-F130 HydrophobicContact CG2-CZ 4.24Å; A126-F130 WeakPolarHBondContact O-CD1 3.28Å; A126-F130 PolarHBondContact O-N 3.2Å; A127-F130 VanDerWaalsContact CA-CZ 3.5Å; A127-F130 HydrophobicContact CB-CE1 3.86Å; A127-F130 HydrophobicContact CB-CE2 4.48Å; A127-F130 HydrophobicContact CB-CZ 3.74Å; F130-T187 HydrophobicContact CZ-CG2 4.06Å; F130-L336 HydrophobicContact CE2-CD1 4.25Å; F130-D384 HydrophobicContact CD1-CB 4.33Å; F130-D384 HydrophobicContact CE1-CB 3.59Å; F130-N482 VanDerWaalsContact CA-O 3.27Å; F130-N482 WeakPolarHBondContact CA-O 3.25Å; F130-N482 HydrophobicContact CB-CB 4.47Å; F130-I485 HydrophobicContact CB-CB 4.01Å; F130-I485 HydrophobicContact CB-CD1 3.82Å; F130-I485 HydrophobicContact CB-CG2 4.23Å; F130-A486 WeakPolarHBondContact O-CA 3.46Å; F130-A486 WeakPolarHBondContact O-CB 3.36Å; F130-A486 PolarHBondContact O-N 2.92Å |
| 131 | M | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 5.9 Ų | 5.9 | 1% | 0.01 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -97.3 | -31.5 | 174.5 | -60.3 | -171.5 | -160.1 | 0 | 0 | 113.9 | A127 A129 S163 S164 T187 A190 A191 L336 A486 | A127-M131 HydrophobicContact CB-CE 4.01Å; A127-M131 WeakPolarHBondContact O-CB 3.35Å; A127-M131 VanDerWaalsContact O-CG 3.24Å; A127-M131 WeakPolarHBondContact O-CG 3.48Å; A127-M131 PolarHBondContact O-N 2.93Å; A129-M131 VanDerWaalsContact C-N 3.28Å; A129-M131 PolarHBondContact O-N 2.78Å; M131-S163 CarbonylContact O-C 3.58Å; M131-S163 WeakPolarHBondContact O-CA 3Å; M131-S164 WeakPolarHBondContact O-CB 3.45Å; M131-S164 PolarHBondContact O-N 3.05Å; M131-S164 PolarHBondContact O-OG 3.04Å; M131-S164 VanDerWaalsContact O-OG 3.1Å; M131-T187 HydrophobicContact CE-CG2 4.4Å; M131-T187 WeakPolarHBondContact CE-O 3.39Å; M131-A190 HydrophobicContact CE-CB 4.37Å; M131-A190 HydrophobicContact SD-CB 4.06Å; M131-A191 VanDerWaalsContact SD-CA 3.52Å; M131-A191 HydrophobicContact SD-CB 3.71Å; M131-A191 PolarHBondContact SD-N 2.96Å; M131-A191 VanDerWaalsContact SD-N 3.36Å; M131-L336 HydrophobicContact CE-CD1 4.03Å; M131-L336 HydrophobicContact CE-CD2 3.24Å; M131-L336 HydrophobicContact CE-CG 4.28Å; M131-L336 HydrophobicContact SD-CD2 4.06Å; M131-A486 WeakPolarHBondContact O-CB 3.5Å |
| 132 | S | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 5.9 Ų | 5.9 | 6% | 0.063 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -118.3 | -10.1 | -171.8 | -49.6 | 0 | 0 | 0 | 0 | 115 | T128 K162 S163 | T128-S132 WeakPolarHBondContact O-CA 3.26Å; T128-S132 WeakPolarHBondContact O-CB 3.42Å; T128-S132 PolarHBondContact O-N 2.93Å; T128-S132 PolarHBondContact O-OG 3.45Å; S132-K162 WeakPolarHBondContact CB-O 3.4Å; S132-K162 PolarHBondContact OG-O 3.42Å; S132-S163 WeakPolarHBondContact OG-CA 3.3Å; S132-S163 PolarHBondContact OG-N 2.98Å |
| 133 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.03 | C | C | . | . | S | Bend | trans | 82.1 | 14.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | W41 A129 T483 H487 | W41-G133 WeakPolarHBondContact CB-O 3.2Å; A129-G133 WeakPolarHBondContact O-CA 3.31Å; A129-G133 PolarHBondContact O-N 3.32Å; G133-T483 WeakPolarHBondContact CA-O 3.18Å; G133-H487 PolarHBondContact O-NE2 2.84Å; G133-H487 VanDerWaalsContact O-NE2 3.1Å |
| 134 | V | 97.9 | Very high | 98 | Very high | 14 Ų | 14 | 5.9 Ų | 5.9 | 9% | 0.085 | 3% | 0.031 | C | C | . | . | S | Bend | trans | -136.3 | 146.8 | -175.7 | -58.5 | 0 | 0 | 0 | 0 | 110.4 | P38 T128 A129 T144 A161 | P38-V134 HydrophobicContact CB-CG1 3.62Å; P38-V134 HydrophobicContact CG-CG1 3.96Å; T128-V134 HydrophobicContact CG2-CG2 4.16Å; A129-V134 WeakPolarHBondContact CA-O 3.49Å; A129-V134 PolarHBondContact N-O 3.01Å; V134-T144 HydrophobicContact CG2-CG2 4.03Å; V134-A161 HydrophobicContact CG2-CB 3.6Å |
| 135 | K | 97.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 6.6 Ų | 6.6 | 1% | 0.009 | 4% | 0.038 | C | C | . | . | P | Polyproline II helix | trans | -79.2 | 131.5 | 173.9 | -60.9 | -66.6 | -169.3 | 172.2 | 0 | 109.9 | V35 W41 F114 A129 T144 G145 D481 N482 T483 | V35-K135 HydrophobicContact CG1-CB 4.19Å; V35-K135 HydrophobicContact CG1-CG 4.03Å; W41-K135 HydrophobicContact CD2-CG 4.38Å; W41-K135 VanDerWaalsContact CE2-CG 3.46Å; W41-K135 HydrophobicContact CH2-CG 4.19Å; W41-K135 HydrophobicContact CZ2-CD 4.19Å; W41-K135 HydrophobicContact CZ2-CG 3.36Å; F114-K135 WeakPolarHBondContact O-CD 3.44Å; F114-K135 WeakPolarHBondContact O-CE 3.33Å; F114-K135 PolarHBondContact O-NZ 2.92Å; A129-K135 HydrophobicContact CB-CD 4.25Å; K135-T144 CarbonylContact O-C 3.31Å; K135-G145 WeakPolarHBondContact O-CA 3.19Å; K135-G145 PolarHBondContact O-N 3.33Å; K135-D481 WeakPolarHBondContact CE-OD1 3.41Å; K135-D481 VanDerWaalsContact CE-OD2 3.3Å; K135-D481 WeakPolarHBondContact CE-OD2 3.21Å; K135-D481 IonicContact NZ-OD1 3.67Å; K135-D481 PolarHBondContact NZ-OD1 3.19Å; K135-D481 IonicContact NZ-OD2 3.16Å; K135-D481 PolarHBondContact NZ-OD2 3.27Å; K135-N482 PolarHBondContact NZ-OD1 2.92Å; K135-T483 HydrophobicContact CD-CG2 3.89Å; K135-T483 HydrophobicContact CG-CG2 4.12Å |
| 136 | G | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.058 | C | C | . | . | P | Polyproline II helix | trans | -101.3 | 163.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N115 S116 I143 | N115-G136 WeakPolarHBondContact CB-O 3.34Å; S116-G136 PolarHBondContact N-O 2.85Å; S116-G136 VanDerWaalsContact OG-C 3.23Å; S116-G136 PolarHBondContact OG-O 3.48Å; G136-I143 WeakPolarHBondContact CA-O 3.4Å |
| 137 | P | 96.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 10.8 Ų | 10.8 | 3% | 0.032 | 6% | 0.064 | C | C | . | . | P | Polyproline II helix | trans | -79.6 | 154.5 | 173.6 | 35.5 | -38.7 | 0 | 0 | 0 | 111.5 | S116 S125 T140 V147 | S116-P137 WeakPolarHBondContact OG-CA 3.33Å; S116-P137 VanDerWaalsContact OG-N 3.14Å; S125-P137 VanDerWaalsContact OG-C 3.29Å; S125-P137 PolarHBondContact OG-O 3.1Å; P137-T140 VanDerWaalsContact CD-OG1 3.26Å; P137-T140 WeakPolarHBondContact CD-OG1 3.39Å; P137-T140 HydrophobicContact CG-CG2 3.65Å; P137-T140 WeakPolarHBondContact CG-OG1 3.5Å; P137-T140 PolarHBondContact O-N 3.29Å; P137-T140 PolarHBondContact O-OG1 2.79Å; P137-V147 WeakPolarHBondContact CG-O 3.33Å |
| 138 | F | 96.9 | Very high | 95.9 | Very high | 42 Ų | 42 | 19.4 Ų | 19.4 | 18% | 0.184 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | 143.7 | 178.7 | -167.6 | -93.6 | 0 | 0 | 0 | 112.7 | N115 D117 R118 D122 S125 T140 C149 | N115-F138 WeakPolarHBondContact ND2-CA 3.38Å; N115-F138 WeakPolarHBondContact ND2-CB 3.16Å; N115-F138 PolarHBondContact ND2-N 3.2Å; N115-F138 VanDerWaalsContact ND2-N 3.15Å; D117-F138 PolarHBondContact OD1-N 3.42Å; R118-F138 VanDerWaalsContact CD-CD2 3.49Å; R118-F138 HydrophobicContact CG-CB 4.15Å; R118-F138 HydrophobicContact CG-CD2 4.3Å; R118-F138 HydrophobicContact CG-CG 4.43Å; R118-F138 VanDerWaalsContact NH1-CD1 3.28Å; R118-F138 VanDerWaalsContact NH2-CD1 3.32Å; D122-F138 HydrophobicContact CB-CD2 3.92Å; D122-F138 HydrophobicContact CB-CE2 3.58Å; D122-F138 HydrophobicContact CB-CZ 4.04Å; S125-F138 WeakPolarHBondContact OG-CA 3.35Å; F138-T140 VanDerWaalsContact C-N 3.26Å; F138-T140 PolarHBondContact O-N 3.22Å; F138-C149 WeakPolarHBondContact O-CB 3.34Å |
| 139 | N | 97.1 | Very high | 95.3 | Very high | 44 Ų | 44 | 21 Ų | 21 | 24% | 0.235 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 6.7 | -177.3 | -75.6 | -9.4 | 0 | 0 | 0 | 116.1 | D122 C149 H197 R198 | D122-N139 WeakPolarHBondContact OD2-CA 3.45Å; D122-N139 PolarHBondContact OD2-N 3.31Å; N139-C149 VanDerWaalsContact CB-SG 3.53Å; N139-H197 CarbonylContact O-C 3.53Å; N139-H197 VanDerWaalsContact O-CA 3.25Å; N139-H197 WeakPolarHBondContact O-CA 3.33Å; N139-R198 PolarHBondContact O-N 2.98Å |
| 140 | T | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -104.9 | 164.5 | 177.1 | 67.4 | 0 | 0 | 0 | 0 | 112.9 | G124 S125 P137 F138 I143 C149 | G124-T140 CarbonylContact C-O 3.36Å; G124-T140 WeakPolarHBondContact CA-O 3.47Å; S125-T140 PolarHBondContact N-O 3.22Å; P137-T140 VanDerWaalsContact CD-OG1 3.26Å; P137-T140 WeakPolarHBondContact CD-OG1 3.39Å; P137-T140 HydrophobicContact CG-CG2 3.65Å; P137-T140 WeakPolarHBondContact CG-OG1 3.5Å; P137-T140 PolarHBondContact O-N 3.29Å; P137-T140 PolarHBondContact O-OG1 2.79Å; F138-T140 VanDerWaalsContact C-N 3.26Å; F138-T140 PolarHBondContact O-N 3.22Å; T140-I143 HydrophobicContact CG2-CB 4.41Å; T140-I143 HydrophobicContact CG2-CG1 4.41Å; T140-C149 HydrophobicContact CG2-CB 3.73Å | ||
| 141 | V | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -133.2 | 123.6 | 177 | 173.9 | 0 | 0 | 0 | 0 | 108.5 | I143 A186 A189 A190 N194 M195 R198 | V141-I143 PolarHBondContact O-N 3.35Å; V141-A186 HydrophobicContact CG2-CB 4.11Å; V141-A189 HydrophobicContact CG1-CB 3.97Å; V141-A190 VanDerWaalsContact CG1-CA 3.46Å; V141-A190 HydrophobicContact CG1-CB 3.89Å; V141-A190 VanDerWaalsContact CG1-N 3.33Å; V141-N194 CarbonylContact O-C 3.4Å; V141-N194 WeakPolarHBondContact O-CA 3.22Å; V141-M195 HydrophobicContact CB-CB 4.27Å; V141-M195 HydrophobicContact CB-CE 3.66Å; V141-M195 HydrophobicContact CG1-CE 3.87Å; V141-M195 HydrophobicContact CG2-CE 3.68Å; V141-M195 PolarHBondContact N-O 3.09Å; V141-M195 PolarHBondContact O-N 3.03Å; V141-R198 HydrophobicContact CG2-CB 3.71Å |
| 142 | G | 98.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 65 | 24.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T128 A161 N194 | T128-G142 PolarHBondContact OG1-N 3.4Å; G142-A161 WeakPolarHBondContact O-CB 3.15Å; G142-A161 PolarHBondContact O-N 3.29Å; G142-N194 PolarHBondContact O-ND2 3.41Å |
| 143 | I | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -111.1 | 135.7 | 179.6 | -56.1 | -59.6 | 0 | 0 | 0 | 109.3 | G136 T140 V141 V147 L155 N194 M195 L196 | G136-I143 WeakPolarHBondContact CA-O 3.4Å; T140-I143 HydrophobicContact CG2-CB 4.41Å; T140-I143 HydrophobicContact CG2-CG1 4.41Å; V141-I143 PolarHBondContact O-N 3.35Å; I143-V147 HydrophobicContact CG2-CB 3.82Å; I143-V147 HydrophobicContact CG2-CG2 4.2Å; I143-L155 HydrophobicContact CD1-CD1 3.41Å; I143-L155 VanDerWaalsContact CD1-CD1 3.41Å; I143-L155 HydrophobicContact CD1-CD2 4.09Å; I143-L155 HydrophobicContact CD1-CG 4.41Å; I143-N194 HydrophobicContact CD1-CB 4Å; I143-M195 VanDerWaalsContact CG1-O 3.25Å; I143-M195 WeakPolarHBondContact CG1-O 3.28Å; I143-L196 HydrophobicContact CD1-CD2 4.37Å; I143-L196 HydrophobicContact CG1-CD2 4.3Å; I143-L196 HydrophobicContact CG2-CD2 4.29Å |
| 144 | T | 96.2 | Very high | 93.3 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | trans | -73.5 | 157.4 | 173.3 | 66.1 | 0 | 0 | 0 | 0 | 111.4 | P38 V134 K135 T146 V147 L158 E159 A161 | P38-T144 HydrophobicContact CG-CG2 4.2Å; V134-T144 HydrophobicContact CG2-CG2 4.03Å; K135-T144 CarbonylContact O-C 3.31Å; T144-T146 PolarHBondContact O-N 3.49Å; T144-T146 PolarHBondContact OG1-OG1 3.04Å; T144-V147 PolarHBondContact O-N 3.18Å; T144-L158 VanDerWaalsContact CG2-O 3.28Å; T144-L158 WeakPolarHBondContact CG2-O 3.21Å; T144-L158 PolarHBondContact OG1-O 3.09Å; T144-E159 PolarHBondContact N-O 3.02Å; T144-E159 WeakPolarHBondContact OG1-CA 3.35Å; T144-E159 PolarHBondContact OG1-O 3.16Å; T144-A161 HydrophobicContact CG2-CB 4.27Å | ||
| 145 | G | 90.8 | Very high | 93 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -1.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A36 K135 V147 | A36-G145 WeakPolarHBondContact CB-O 3.34Å; K135-G145 WeakPolarHBondContact O-CA 3.19Å; K135-G145 PolarHBondContact O-N 3.33Å; G145-V147 VanDerWaalsContact C-N 3.31Å |
| 146 | T | 86.6 | Confident | 92.8 | Very high | 69 Ų | 69 | 45.4 Ų | 45.4 | 42% | 0.423 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -10.7 | 179.4 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | T144 L158 | T144-T146 PolarHBondContact O-N 3.49Å; T144-T146 PolarHBondContact OG1-OG1 3.04Å; T146-L158 HydrophobicContact CG2-CD1 4.22Å |
| 147 | V | 87.4 | Confident | 92.6 | Very high | 21 Ų | 21 | 50.6 Ų | 50.6 | 13% | 0.127 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -113.4 | 153.3 | -178.3 | -170.3 | 0 | 0 | 0 | 0 | 110.1 | P137 I143 T144 G145 L155 E159 L196 | P137-V147 WeakPolarHBondContact CG-O 3.33Å; I143-V147 HydrophobicContact CG2-CB 3.82Å; I143-V147 HydrophobicContact CG2-CG2 4.2Å; T144-V147 PolarHBondContact O-N 3.18Å; G145-V147 VanDerWaalsContact C-N 3.31Å; V147-L155 HydrophobicContact CG1-CD2 4.41Å; V147-L155 HydrophobicContact CG2-CD2 4.28Å; V147-E159 HydrophobicContact CG2-CB 3.61Å; V147-E159 HydrophobicContact CG2-CG 3.45Å; V147-E159 VanDerWaalsContact CG2-CG 3.45Å; V147-L196 HydrophobicContact CB-CD2 4.48Å; V147-L196 HydrophobicContact CG1-CD2 3.6Å |
| 148 | K | 86.2 | Confident | 92.3 | Very high | 180 Ų | 180 | 55.6 Ų | 55.6 | 78% | 0.783 | 28% | 0.283 | S | S | * | . | trans | -95.5 | 138.8 | 171.3 | -67.9 | -174.8 | 178.2 | -178.6 | 0 | 110.2 | ||||
| 149 | C | 87 | Confident | 92.2 | Very high | 35 Ų | 35 | 55 Ų | 55 | 24% | 0.236 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 150.4 | 156.8 | -167.1 | 0 | 0 | 0 | 0 | 108.5 | F138 N139 T140 L196 | F138-C149 WeakPolarHBondContact O-CB 3.34Å; N139-C149 VanDerWaalsContact CB-SG 3.53Å; T140-C149 HydrophobicContact CG2-CB 3.73Å; C149-L196 PolarHBondContact SG-O 2.57Å |
| 150 | C | 85.5 | Confident | 92.2 | Very high | 58 Ų | 58 | 55.9 Ų | 55.9 | 39% | 0.392 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -144.9 | 37.2 | 13.9 | -52.6 | 0 | 0 | 0 | 0 | 109.8 | L196 | C150-L196 WeakPolarHBondContact CA-O 3.3Š|
| 151 | E | 89.7 | Confident | 92.1 | Very high | 137 Ų | 137 | 56.3 Ų | 56.3 | 64% | 0.64 | 28% | 0.284 | S | S | * | . | trans | -98.8 | 130.1 | -175 | -68.5 | -179.3 | 176.9 | 0 | 0 | 109.9 | T153 L196 | E151-T153 HydrophobicContact CB-CG2 4.39Å; E151-T153 PolarHBondContact O-N 3.1Å; E151-T153 PolarHBondContact O-OG1 3.06Å; E151-L196 WeakPolarHBondContact O-CD1 3.43Å | ||
| 152 | C | 91.1 | Very high | 92 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | trans | -68.5 | 111.6 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 110 | W200 V204 N207 C213 | C152-W200 HydrophobicContact CB-CH2 3.7Å; C152-W200 HydrophobicContact CB-CZ3 4.09Å; C152-V204 HydrophobicContact CB-CG1 4.21Å; C152-N207 HydrophobicContact CB-CB 4.27Å; C152-N207 WeakPolarHBondContact CB-ND2 3.38Å; C152-N207 PolarHBondContact O-ND2 2.76Å; C152-N207 PolarHBondContact SG-ND2 2.91Å; C152-C213 WeakPolarHBondContact CA-SG 3.48Å; C152-C213 HydrophobicContact CB-CB 4.08Å; C152-C213 WeakPolarHBondContact CB-SG 3.43Å; C152-C213 WeakPolarHBondContact SG-CB 3.23Å; C152-C213 PolarHBondContact SG-N 3.45Å; C152-C213 CovalentContact SG-SG 2.04Å; C152-C213 PolarHBondContact SG-SG 3.42Å | ||
| 153 | T | 91.5 | Very high | 92.1 | Very high | 47 Ų | 47 | 60.6 Ų | 60.6 | 29% | 0.288 | 30% | 0.303 | S | S | . | . | trans | -139.6 | 157.5 | -178.6 | 52.1 | 0 | 0 | 0 | 0 | 110.2 | E151 L155 L196 F211 | E151-T153 HydrophobicContact CB-CG2 4.39Å; E151-T153 PolarHBondContact O-N 3.1Å; E151-T153 PolarHBondContact O-OG1 3.06Å; T153-L155 PolarHBondContact O-N 3.49Å; T153-L196 WeakPolarHBondContact OG1-CD1 3.27Å; T153-F211 VanDerWaalsContact C-CD1 3.48Å; T153-F211 WeakPolarHBondContact O-CE1 3.33Å | ||
| 154 | E | 91.3 | Very high | 92.1 | Very high | 143 Ų | 143 | 60.9 Ų | 60.9 | 67% | 0.668 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 122.5 | 175.2 | -174.3 | 173.7 | -165.1 | 0 | 0 | 110.2 | F211 | E154-F211 HydrophobicContact CB-CD1 4.25Å; E154-F211 HydrophobicContact CB-CD2 3.65Å; E154-F211 HydrophobicContact CB-CE1 4.29Å; E154-F211 HydrophobicContact CB-CE2 3.7Å; E154-F211 HydrophobicContact CB-CG 3.93Å; E154-F211 HydrophobicContact CB-CZ 4.03Å; E154-F211 HydrophobicContact CG-CD2 4.01Å; E154-F211 HydrophobicContact CG-CE2 3.64Å; E154-F211 HydrophobicContact CG-CZ 4.09Å |
| 155 | L | 92.1 | Very high | 92.2 | Very high | 14 Ų | 14 | 60.9 Ų | 60.9 | 7% | 0.073 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 140.7 | 176.9 | -65.6 | 166.6 | 0 | 0 | 0 | 111 | I143 V147 T153 E159 R160 N194 L196 | I143-L155 HydrophobicContact CD1-CD1 3.41Å; I143-L155 VanDerWaalsContact CD1-CD1 3.41Å; I143-L155 HydrophobicContact CD1-CD2 4.09Å; I143-L155 HydrophobicContact CD1-CG 4.41Å; V147-L155 HydrophobicContact CG1-CD2 4.41Å; V147-L155 HydrophobicContact CG2-CD2 4.28Å; T153-L155 PolarHBondContact O-N 3.49Å; L155-E159 WeakPolarHBondContact CA-OE2 3.2Å; L155-E159 HydrophobicContact CD2-CB 4.04Å; L155-R160 HydrophobicContact CB-CG 4.08Å; L155-R160 HydrophobicContact CD1-CG 4.27Å; L155-R160 PolarHBondContact O-NH1 2.75Å; L155-R160 PolarHBondContact O-NH2 2.64Å; L155-N194 HydrophobicContact CD1-CB 4.25Å; L155-L196 HydrophobicContact CD2-CD1 4.13Å; L155-L196 HydrophobicContact CD2-CD2 3.99Å; L155-L196 HydrophobicContact CD2-CG 4.23Å; L155-L196 HydrophobicContact CG-CD1 4.3Å |
| 156 | K | 93.7 | Very high | 92.6 | Very high | 135 Ų | 135 | 62 Ų | 62 | 59% | 0.587 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -80.3 | 159.8 | 165 | -61.7 | 172.2 | -169.7 | 152.5 | 0 | 110.4 | L158 E159 R160 | K156-L158 VanDerWaalsContact C-N 3.27Å; K156-L158 PolarHBondContact O-N 3.23Å; K156-E159 HydrophobicContact CB-CG 4.14Å; K156-E159 PolarHBondContact N-OE2 3.15Å; K156-E159 IonicContact NZ-OE1 3.6Å; K156-E159 WeakPolarHBondContact O-CB 3.43Å; K156-E159 PolarHBondContact O-N 3.46Å; K156-R160 PolarHBondContact O-N 2.99Å |
| 157 | E | 92.3 | Very high | 93.1 | Very high | 108 Ų | 108 | 61.7 Ų | 61.7 | 51% | 0.505 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -35.1 | 178.1 | -76.5 | -57.9 | 105 | 0 | 0 | 114 | E159 R160 K162 | E157-E159 PolarHBondContact O-N 3.33Å; E157-R160 PolarHBondContact O-N 3.22Å; E157-R160 IonicContact OE1-CZ 3.36Å; E157-R160 IonicContact OE1-NE 2.75Å; E157-R160 IonicContact OE1-NH1 2.78Å; E157-R160 PolarHBondContact OE1-NH1 3.41Å; E157-K162 IonicContact OE2-NZ 2.64Å; E157-K162 PolarHBondContact OE2-NZ 3.17Å |
| 158 | L | 91.6 | Very high | 93.7 | Very high | 111 Ų | 111 | 60.7 Ų | 60.7 | 58% | 0.581 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -26.4 | 176.6 | 92.1 | 84.8 | 0 | 0 | 0 | 112.2 | T144 T146 K156 R160 | T144-L158 VanDerWaalsContact CG2-O 3.28Å; T144-L158 WeakPolarHBondContact CG2-O 3.21Å; T144-L158 PolarHBondContact OG1-O 3.09Å; T146-L158 HydrophobicContact CG2-CD1 4.22Å; K156-L158 VanDerWaalsContact C-N 3.27Å; K156-L158 PolarHBondContact O-N 3.23Å; L158-R160 VanDerWaalsContact C-N 3.32Å |
| 159 | E | 95.2 | Very high | 94.2 | Very high | 30 Ų | 30 | 53.2 Ų | 53.2 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -21.4 | -176.5 | -67 | 166.1 | 176.8 | 0 | 0 | 111.4 | T144 V147 L155 K156 E157 | T144-E159 PolarHBondContact N-O 3.02Å; T144-E159 WeakPolarHBondContact OG1-CA 3.35Å; T144-E159 PolarHBondContact OG1-O 3.16Å; V147-E159 HydrophobicContact CG2-CB 3.61Å; V147-E159 HydrophobicContact CG2-CG 3.45Å; V147-E159 VanDerWaalsContact CG2-CG 3.45Å; L155-E159 WeakPolarHBondContact CA-OE2 3.2Å; L155-E159 HydrophobicContact CD2-CB 4.04Å; K156-E159 HydrophobicContact CB-CG 4.14Å; K156-E159 PolarHBondContact N-OE2 3.15Å; K156-E159 IonicContact NZ-OE1 3.6Å; K156-E159 WeakPolarHBondContact O-CB 3.43Å; K156-E159 PolarHBondContact O-N 3.46Å; E157-E159 PolarHBondContact O-N 3.33Å |
| 160 | R | 96.2 | Very high | 94.7 | Very high | 62 Ų | 62 | 60.6 Ų | 60.6 | 23% | 0.234 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -83.7 | 113.5 | 175 | -64.5 | -176 | 179.4 | 84.4 | 12.3 | 110.7 | L155 K156 E157 L158 N194 | L155-R160 HydrophobicContact CB-CG 4.08Å; L155-R160 HydrophobicContact CD1-CG 4.27Å; L155-R160 PolarHBondContact O-NH1 2.75Å; L155-R160 PolarHBondContact O-NH2 2.64Å; K156-R160 PolarHBondContact O-N 2.99Å; E157-R160 PolarHBondContact O-N 3.22Å; E157-R160 IonicContact OE1-CZ 3.36Å; E157-R160 IonicContact OE1-NE 2.75Å; E157-R160 IonicContact OE1-NH1 2.78Å; E157-R160 PolarHBondContact OE1-NH1 3.41Å; L158-R160 VanDerWaalsContact C-N 3.32Å; R160-N194 HydrophobicContact CG-CB 4.19Å |
| 161 | A | 97 | Very high | 95.3 | Very high | 9 Ų | 9 | 59.4 Ų | 59.4 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 129.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T128 V134 G142 T144 N194 | T128-A161 HydrophobicContact CG2-CB 3.76Å; V134-A161 HydrophobicContact CG2-CB 3.6Å; G142-A161 WeakPolarHBondContact O-CB 3.15Å; G142-A161 PolarHBondContact O-N 3.29Å; T144-A161 HydrophobicContact CG2-CB 4.27Å; A161-N194 PolarHBondContact O-ND2 3.05Å |
| 162 | K | 96 | Very high | 95.7 | Very high | 88 Ų | 88 | 54.8 Ų | 54.8 | 38% | 0.383 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -102.2 | 118.2 | 178.7 | -68.6 | 176.9 | -177.4 | 173.9 | 0 | 108.9 | S132 E157 Y167 | S132-K162 WeakPolarHBondContact CB-O 3.4Å; S132-K162 PolarHBondContact OG-O 3.42Å; E157-K162 IonicContact OE2-NZ 2.64Å; E157-K162 PolarHBondContact OE2-NZ 3.17Å; K162-Y167 HydrophobicContact CB-CD2 4.39Å; K162-Y167 HydrophobicContact CB-CE2 3.62Å; K162-Y167 WeakPolarHBondContact O-CE2 3.26Å |
| 163 | S | 98.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 153.5 | -178 | 78.3 | 0 | 0 | 0 | 0 | 112 | M131 S132 I165 M166 Y167 A191 | M131-S163 CarbonylContact O-C 3.58Å; M131-S163 WeakPolarHBondContact O-CA 3Å; S132-S163 WeakPolarHBondContact OG-CA 3.3Å; S132-S163 PolarHBondContact OG-N 2.98Å; S163-I165 PolarHBondContact O-N 3.27Å; S163-I165 PolarHBondContact OG-N 2.98Å; S163-M166 PolarHBondContact O-N 3.49Å; S163-M166 VanDerWaalsContact O-N 3.09Å; S163-M166 WeakPolarHBondContact OG-CG 3.46Å; S163-M166 PolarHBondContact OG-N 3.27Å; S163-Y167 VanDerWaalsContact O-CD2 3.28Å; S163-Y167 WeakPolarHBondContact O-CD2 3.5Å; S163-Y167 PolarHBondContact O-N 2.79Å; S163-A191 WeakPolarHBondContact CB-O 3.4Å; S163-A191 PolarHBondContact OG-O 2.88Å |
| 164 | S | 98.6 | Very high | 96.4 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.6 | -31.6 | 169.6 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | M131 Y167 A168 | M131-S164 WeakPolarHBondContact O-CB 3.45Å; M131-S164 PolarHBondContact O-N 3.05Å; M131-S164 PolarHBondContact O-OG 3.04Å; M131-S164 VanDerWaalsContact O-OG 3.1Å; S164-Y167 PolarHBondContact O-N 2.83Å; S164-A168 WeakPolarHBondContact O-CB 3.38Å; S164-A168 PolarHBondContact O-N 3.17Å |
| 165 | I | 98.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62 | -45.9 | 172.6 | -66.6 | -77.8 | 0 | 0 | 0 | 110.9 | S163 A168 S169 T175 A191 V227 L334 L336 | S163-I165 PolarHBondContact O-N 3.27Å; S163-I165 PolarHBondContact OG-N 2.98Å; I165-A168 PolarHBondContact O-N 2.97Å; I165-S169 WeakPolarHBondContact O-CB 3.4Å; I165-S169 PolarHBondContact O-N 3.32Å; I165-T175 HydrophobicContact CG2-CG2 4.42Å; I165-A191 HydrophobicContact CB-CB 4.37Å; I165-A191 HydrophobicContact CG1-CB 4.26Å; I165-A191 HydrophobicContact CG2-CB 4.5Å; I165-V227 HydrophobicContact CG2-CG2 4.16Å; I165-L334 HydrophobicContact CD1-CB 4.36Å; I165-L334 HydrophobicContact CD1-CD2 3.81Å; I165-L334 HydrophobicContact CD1-CG 3.62Å; I165-L334 HydrophobicContact CG1-CD2 4.12Å; I165-L334 HydrophobicContact CG1-CG 4.44Å; I165-L336 HydrophobicContact CD1-CB 4.47Å |
| 166 | M | 98.1 | Very high | 97.1 | Very high | 39 Ų | 39 | 45.7 Ų | 45.7 | 19% | 0.192 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.6 | -39.4 | 176.9 | -65.6 | -62.7 | 96 | 0 | 0 | 111.9 | S163 K170 A191 N223 A224 V227 | S163-M166 PolarHBondContact O-N 3.49Å; S163-M166 VanDerWaalsContact O-N 3.09Å; S163-M166 WeakPolarHBondContact OG-CG 3.46Å; S163-M166 PolarHBondContact OG-N 3.27Å; M166-K170 WeakPolarHBondContact O-CB 3.43Å; M166-K170 PolarHBondContact O-N 3.3Å; M166-A191 WeakPolarHBondContact CG-O 3.48Å; M166-N223 HydrophobicContact SD-CB 4.48Å; M166-N223 VanDerWaalsContact SD-O 3.34Å; M166-A224 HydrophobicContact CE-CB 4.32Å; M166-V227 HydrophobicContact CE-CG2 3.46Å; M166-V227 VanDerWaalsContact CE-CG2 3.46Å |
| 167 | Y | 98.4 | Very high | 97.4 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 24% | 0.243 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 173.7 | -77 | -60.7 | 0 | 0 | 0 | 112.6 | K162 S163 S164 A171 M490 | K162-Y167 HydrophobicContact CB-CD2 4.39Å; K162-Y167 HydrophobicContact CB-CE2 3.62Å; K162-Y167 WeakPolarHBondContact O-CE2 3.26Å; S163-Y167 VanDerWaalsContact O-CD2 3.28Å; S163-Y167 WeakPolarHBondContact O-CD2 3.5Å; S163-Y167 PolarHBondContact O-N 2.79Å; S164-Y167 PolarHBondContact O-N 2.83Å; Y167-A171 VanDerWaalsContact O-CB 3.27Å; Y167-A171 WeakPolarHBondContact O-CB 3.47Å; Y167-A171 PolarHBondContact O-N 3.48Å; Y167-M490 HydrophobicContact CD2-SD 3.52Å; Y167-M490 VanDerWaalsContact CD2-SD 3.52Å; Y167-M490 HydrophobicContact CE2-SD 3.87Å; Y167-M490 HydrophobicContact CG-SD 4.31Å |
| 168 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.5 | -48.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | S164 I165 K170 A171 G172 F173 T175 L334 I495 | S164-A168 WeakPolarHBondContact O-CB 3.38Å; S164-A168 PolarHBondContact O-N 3.17Å; I165-A168 PolarHBondContact O-N 2.97Å; A168-K170 PolarHBondContact O-N 3.34Å; A168-A171 CarbonylContact O-C 3.56Å; A168-A171 WeakPolarHBondContact O-CA 3.45Å; A168-A171 PolarHBondContact O-N 3.12Å; A168-A171 VanDerWaalsContact O-N 3.1Å; A168-G172 PolarHBondContact O-N 2.95Å; A168-G172 VanDerWaalsContact O-N 3.16Å; A168-F173 HydrophobicContact CB-CB 4.04Å; A168-F173 WeakPolarHBondContact O-CB 3.27Å; A168-F173 PolarHBondContact O-N 3.03Å; A168-T175 HydrophobicContact CB-CG2 3.59Å; A168-L334 HydrophobicContact CB-CB 4.05Å; A168-L334 HydrophobicContact CB-CD2 4.02Å; A168-I495 HydrophobicContact CB-CD1 3.69Å |
| 169 | S | 98.1 | Very high | 98 | Very high | 22 Ų | 22 | 28.9 Ų | 28.9 | 15% | 0.154 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.6 | -47.8 | 176.7 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | I165 A171 G172 H226 | I165-S169 WeakPolarHBondContact O-CB 3.4Å; I165-S169 PolarHBondContact O-N 3.32Å; S169-A171 VanDerWaalsContact C-N 3.26Å; S169-A171 PolarHBondContact O-N 3.1Å; S169-G172 PolarHBondContact O-N 2.77Å; S169-H226 WeakPolarHBondContact OG-CB 3.4Å; S169-H226 PolarHBondContact OG-O 3.38Å; S169-H226 VanDerWaalsContact OG-O 3.09Å |
| 170 | K | 97.4 | Very high | 98.2 | Very high | 191 Ų | 191 | 27.8 Ų | 27.8 | 83% | 0.83 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -62.4 | -32.2 | 175.9 | -175.1 | 175.4 | 179.3 | -179.8 | 0 | 113 | M166 A168 G172 | M166-K170 WeakPolarHBondContact O-CB 3.43Å; M166-K170 PolarHBondContact O-N 3.3Å; A168-K170 PolarHBondContact O-N 3.34Å; K170-G172 PolarHBondContact O-N 3.36Å |
| 171 | A | 97.7 | Very high | 98.3 | Very high | 33 Ų | 33 | 24.8 Ų | 24.8 | 27% | 0.273 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -0.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y167 A168 S169 F173 K331 I495 | Y167-A171 VanDerWaalsContact O-CB 3.27Å; Y167-A171 WeakPolarHBondContact O-CB 3.47Å; Y167-A171 PolarHBondContact O-N 3.48Å; A168-A171 CarbonylContact O-C 3.56Å; A168-A171 WeakPolarHBondContact O-CA 3.45Å; A168-A171 PolarHBondContact O-N 3.12Å; A168-A171 VanDerWaalsContact O-N 3.1Å; S169-A171 VanDerWaalsContact C-N 3.26Å; S169-A171 PolarHBondContact O-N 3.1Å; A171-F173 HydrophobicContact CB-CD2 4Å; A171-F173 HydrophobicContact CB-CE2 4.32Å; A171-K331 WeakPolarHBondContact O-CE 2.92Å; A171-K331 PolarHBondContact O-NZ 2.92Å; A171-I495 HydrophobicContact CB-CB 4.38Å; A171-I495 HydrophobicContact CB-CG2 3.58Å |
| 172 | G | 97.9 | Very high | 98.4 | Very high | 40 Ų | 40 | 25.8 Ų | 25.8 | 41% | 0.412 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 13.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A168 S169 K170 N329 | A168-G172 PolarHBondContact O-N 2.95Å; A168-G172 VanDerWaalsContact O-N 3.16Å; S169-G172 PolarHBondContact O-N 2.77Å; K170-G172 PolarHBondContact O-N 3.36Å; G172-N329 PolarHBondContact O-ND2 2.95Å |
| 173 | F | 98.7 | Very high | 98.6 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | trans | -74.1 | 150.9 | 163.7 | -72.6 | -102.7 | 0 | 0 | 0 | 109.3 | A168 A171 K331 L493 I495 | A168-F173 HydrophobicContact CB-CB 4.04Å; A168-F173 WeakPolarHBondContact O-CB 3.27Å; A168-F173 PolarHBondContact O-N 3.03Å; A171-F173 HydrophobicContact CB-CD2 4Å; A171-F173 HydrophobicContact CB-CE2 4.32Å; F173-K331 HydrophobicContact CD1-CG 4.21Å; F173-K331 HydrophobicContact CD2-CD 4.05Å; F173-K331 HydrophobicContact CD2-CG 4.11Å; F173-K331 HydrophobicContact CE1-CG 4.02Å; F173-K331 WeakPolarHBondContact CE1-O 3.38Å; F173-K331 HydrophobicContact CE2-CD 4.02Å; F173-K331 HydrophobicContact CE2-CG 3.95Å; F173-K331 HydrophobicContact CG-CG 4.24Å; F173-K331 HydrophobicContact CZ-CD 4.45Å; F173-K331 HydrophobicContact CZ-CG 3.89Å; F173-L493 HydrophobicContact CD1-CD2 4.49Å; F173-L493 HydrophobicContact CE1-CB 4.49Å; F173-L493 HydrophobicContact CE1-CD2 3.89Å; F173-L493 HydrophobicContact CZ-CB 4.26Å; F173-L493 HydrophobicContact CZ-CD2 4.4Å; F173-L493 WeakPolarHBondContact CZ-O 3.46Å; F173-I495 HydrophobicContact CD2-CG2 3.88Å; F173-I495 HydrophobicContact CE2-CG2 3.49Å; F173-I495 VanDerWaalsContact CE2-CG2 3.49Å; F173-I495 HydrophobicContact CZ-CG2 4.37Å | ||
| 174 | S | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 21.5 Ų | 21.5 | 8% | 0.084 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 141.5 | 167.8 | -75.1 | 0 | 0 | 0 | 0 | 110 | N228 N329 G332 F333 L334 | S174-N228 WeakPolarHBondContact CA-OD1 3.36Å; S174-N228 WeakPolarHBondContact CB-OD1 3.48Å; S174-N228 PolarHBondContact OG-OD1 3.32Å; S174-N329 PolarHBondContact N-ND2 2.96Å; S174-N329 VanDerWaalsContact OG-CB 3.27Å; S174-N329 WeakPolarHBondContact OG-CB 3.46Å; S174-N329 PolarHBondContact OG-ND2 3.46Å; S174-N329 VanDerWaalsContact OG-ND2 3.12Å; S174-G332 PolarHBondContact N-O 2.92Å; S174-G332 VanDerWaalsContact N-O 3.14Å; S174-F333 CarbonylContact O-C 3.41Å; S174-F333 WeakPolarHBondContact O-CA 3.18Å; S174-F333 WeakPolarHBondContact O-CB 3.28Å; S174-L334 PolarHBondContact O-N 3.26Å |
| 175 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 146.1 | -177.4 | 60 | 0 | 0 | 0 | 0 | 113 | I165 A168 V227 N228 V229 L326 L334 | I165-T175 HydrophobicContact CG2-CG2 4.42Å; A168-T175 HydrophobicContact CB-CG2 3.59Å; T175-V227 WeakPolarHBondContact O-CG1 3.35Å; T175-N228 PolarHBondContact N-OD1 3.44Å; T175-N228 VanDerWaalsContact N-OD1 3.16Å; T175-N228 WeakPolarHBondContact O-CB 3.3Å; T175-N228 PolarHBondContact O-N 2.67Å; T175-V229 PolarHBondContact O-N 2.77Å; T175-L326 VanDerWaalsContact O-CD2 3.3Å; T175-L326 WeakPolarHBondContact O-CD2 3.12Å; T175-L334 VanDerWaalsContact CA-O 3.26Å; T175-L334 WeakPolarHBondContact CA-O 3.25Å; T175-L334 HydrophobicContact CG2-CB 4.44Å |
| 176 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 150.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V229 L334 L336 | G176-V229 CarbonylContact C-O 3.57Å; G176-V229 WeakPolarHBondContact CA-O 3.35Å; G176-L334 PolarHBondContact N-O 2.75Å; G176-L336 PolarHBondContact O-N 2.94Å |
| 177 | I | 99 | Very high | 98.6 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 113.1 | 175 | -59.3 | 163.5 | 0 | 0 | 0 | 106.6 | P188 A191 Y192 V227 V229 I230 M231 L336 | I177-P188 HydrophobicContact CG2-CB 3.85Å; I177-A191 HydrophobicContact CD1-CB 3.54Å; I177-A191 HydrophobicContact CG1-CB 3.96Å; I177-Y192 HydrophobicContact CD1-CD1 3.99Å; I177-V227 HydrophobicContact CD1-CG1 4.3Å; I177-V227 HydrophobicContact CG1-CG1 4.46Å; I177-V229 PolarHBondContact N-O 2.89Å; I177-I230 HydrophobicContact CD1-CG1 4.44Å; I177-I230 CarbonylContact O-C 3.37Å; I177-I230 VanDerWaalsContact O-CA 3.3Å; I177-I230 WeakPolarHBondContact O-CA 3.43Å; I177-M231 PolarHBondContact O-N 3.42Å; I177-L336 HydrophobicContact CG2-CD2 4.36Å |
| 178 | V | 99 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.5 | 175.6 | 175.4 | 0 | 0 | 0 | 0 | 108.1 | M231 L315 M318 A322 L335 L336 V337 E338 | V178-M231 CarbonylContact C-O 3.46Å; V178-M231 WeakPolarHBondContact CA-O 3.43Å; V178-M231 HydrophobicContact CG2-CB 4.44Å; V178-M231 HydrophobicContact CG2-CE 3.95Å; V178-L315 HydrophobicContact CG1-CD1 3.73Å; V178-M318 HydrophobicContact CG1-CB 3.53Å; V178-M318 HydrophobicContact CG1-CE 4.21Å; V178-M318 HydrophobicContact CG1-SD 4.46Å; V178-A322 HydrophobicContact CG2-CB 3.73Å; V178-L335 HydrophobicContact CG2-CD1 4.07Å; V178-L336 PolarHBondContact N-O 2.88Å; V178-V337 HydrophobicContact CB-CG1 4.49Å; V178-V337 HydrophobicContact CB-CG2 4.44Å; V178-V337 HydrophobicContact CG1-CG1 4.4Å; V178-V337 CarbonylContact O-C 3.55Å; V178-V337 VanDerWaalsContact O-CA 3.3Å; V178-V337 WeakPolarHBondContact O-CA 3.45Å; V178-E338 PolarHBondContact O-N 2.92Å |
| 179 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 150.7 | -179.5 | -178.8 | 0 | 0 | 0 | 0 | 112.2 | T181 V183 P188 M231 G232 E338 | T179-T181 VanDerWaalsContact C-N 3.28Å; T179-T181 PolarHBondContact OG1-N 2.96Å; T179-T181 PolarHBondContact OG1-OG1 3.37Å; T179-V183 HydrophobicContact CG2-CG1 4.09Å; T179-P188 HydrophobicContact CG2-CB 4.13Å; T179-P188 HydrophobicContact CG2-CG 4.13Å; T179-M231 PolarHBondContact N-O 3.44Å; T179-G232 WeakPolarHBondContact O-CA 3.31Å; T179-E338 WeakPolarHBondContact CA-O 3.14Å; T179-E338 WeakPolarHBondContact CB-OE2 3.38Å; T179-E338 VanDerWaalsContact OG1-CD 3.29Å; T179-E338 PolarHBondContact OG1-OE2 2.93Å |
| 180 | T | 98.9 | Very high | 98.6 | Very high | 7 Ų | 7 | 16.2 Ų | 16.2 | 4% | 0.043 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -2.8 | 165.7 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | L303 L315 E338 G340 R341 | T180-L303 WeakPolarHBondContact O-CB 3.28Å; T180-L303 PolarHBondContact O-N 3.06Å; T180-L315 HydrophobicContact CG2-CB 3.99Å; T180-L315 HydrophobicContact CG2-CD1 4.05Å; T180-L315 HydrophobicContact CG2-CD2 4.22Å; T180-L315 HydrophobicContact CG2-CG 4.31Å; T180-E338 PolarHBondContact N-O 2.83Å; T180-E338 VanDerWaalsContact N-O 3.1Å; T180-G340 PolarHBondContact OG1-N 3.47Å; T180-R341 PolarHBondContact OG1-N 3.2Å |
| 181 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -166.7 | -179.5 | 76.5 | 0 | 0 | 0 | 0 | 111.7 | T179 G233 H302 G340 | T179-T181 VanDerWaalsContact C-N 3.28Å; T179-T181 PolarHBondContact OG1-N 2.96Å; T179-T181 PolarHBondContact OG1-OG1 3.37Å; T181-G233 WeakPolarHBondContact O-CA 3.4Å; T181-G233 PolarHBondContact O-N 2.98Å; T181-H302 WeakPolarHBondContact CA-ND1 3.46Å; T181-G340 VanDerWaalsContact CG2-CA 3.48Å |
| 182 | R | 98.8 | Very high | 98.7 | Very high | 29 Ų | 29 | 6 Ų | 6 | 11% | 0.109 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 137 | 167.7 | -63.3 | -178.2 | -70.1 | -83.4 | -2.3 | 106 | T184 H185 P188 E201 G233 E237 N301 H302 | R182-T184 PolarHBondContact O-N 2.91Å; R182-H185 HydrophobicContact CB-CB 4.22Å; R182-H185 PolarHBondContact NH2-CD2 3.1Å; R182-H185 VanDerWaalsContact NH2-CD2 3.33Å; R182-H185 WeakPolarHBondContact O-CB 3.44Å; R182-H185 PolarHBondContact O-N 3.16Å; R182-P188 VanDerWaalsContact O-CG 3.24Å; R182-P188 WeakPolarHBondContact O-CG 3.46Å; R182-E201 IonicContact CZ-OE1 3.76Å; R182-E201 IonicContact CZ-OE2 3.4Å; R182-E201 VanDerWaalsContact NE-CD 3.31Å; R182-E201 IonicContact NE-OE1 3.94Å; R182-E201 PolarHBondContact NE-OE1 3.5Å; R182-E201 IonicContact NE-OE2 3.01Å; R182-E201 PolarHBondContact NE-OE2 2.85Å; R182-E201 IonicContact NH2-OE1 3.94Å; R182-E201 PolarHBondContact NH2-OE1 3.5Å; R182-E201 IonicContact NH2-OE2 2.97Å; R182-G233 WeakPolarHBondContact CA-O 3.47Å; R182-E237 WeakPolarHBondContact CD-OE1 3.25Å; R182-E237 IonicContact NE-OE1 3.44Å; R182-N301 WeakPolarHBondContact CD-OD1 3.35Å; R182-N301 WeakPolarHBondContact CG-OD1 3.49Å; R182-N301 PolarHBondContact NH1-OD1 3.23Å; R182-H302 PolarHBondContact N-ND1 2.97Å; R182-H302 PolarHBondContact NH1-CE1 3.03Å; R182-H302 PolarHBondContact NH1-NE2 3.43Å |
| 183 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17.5 | 178.3 | -60 | 0 | 0 | 0 | 0 | 113.1 | T179 P188 Y192 L220 I230 G233 F238 L297 | T179-V183 HydrophobicContact CG2-CG1 4.09Å; V183-P188 WeakPolarHBondContact O-CG 3.27Å; V183-Y192 PolarHBondContact O-OH 3.37Å; V183-L220 HydrophobicContact CG2-CD1 3.99Å; V183-I230 HydrophobicContact CB-CG2 3.95Å; V183-I230 HydrophobicContact CG1-CG2 3.78Å; V183-I230 HydrophobicContact CG2-CG2 4.44Å; V183-G233 PolarHBondContact N-O 3.22Å; V183-F238 HydrophobicContact CG2-CE2 3.87Å; V183-F238 HydrophobicContact CG2-CZ 3.76Å; V183-L297 HydrophobicContact CB-CD2 4.35Å; V183-L297 HydrophobicContact CG1-CD2 3.81Å; V183-L297 HydrophobicContact CG2-CD2 3.57Å |
| 184 | T | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -5.6 | 173.8 | 51.2 | 0 | 0 | 0 | 0 | 114.3 | R182 E201 A216 A217 E237 F238 | R182-T184 PolarHBondContact O-N 2.91Å; T184-E201 VanDerWaalsContact C-OE2 3.25Å; T184-E201 WeakPolarHBondContact CB-OE2 3.19Å; T184-E201 WeakPolarHBondContact O-CG 3.39Å; T184-E201 PolarHBondContact OG1-OE2 3.21Å; T184-A216 HydrophobicContact CG2-CB 4.05Å; T184-A217 HydrophobicContact CG2-CB 3.84Å; T184-E237 HydrophobicContact CG2-CB 4.14Å; T184-E237 HydrophobicContact CG2-CG 4.47Å; T184-E237 WeakPolarHBondContact OG1-CG 3.29Å; T184-F238 HydrophobicContact CG2-CE2 3.88Å; T184-F238 HydrophobicContact CG2-CZ 3.78Å |
| 185 | H | 98.6 | Very high | 98.6 | Very high | 18 Ų | 18 | 4.5 Ų | 4.5 | 8% | 0.083 | 2% | 0.022 | C | C | . | . | S | Bend | trans | -64 | 163.6 | 178.1 | -163.3 | -116.1 | 0 | 0 | 0 | 110.5 | R182 T187 P188 A189 E201 H302 | R182-H185 HydrophobicContact CB-CB 4.22Å; R182-H185 PolarHBondContact NH2-CD2 3.1Å; R182-H185 VanDerWaalsContact NH2-CD2 3.33Å; R182-H185 WeakPolarHBondContact O-CB 3.44Å; R182-H185 PolarHBondContact O-N 3.16Å; H185-T187 VanDerWaalsContact C-N 3.35Å; H185-T187 PolarHBondContact O-N 3.09Å; H185-P188 HydrophobicContact CB-CG 4.12Å; H185-P188 WeakPolarHBondContact O-CD 3.2Å; H185-P188 WeakPolarHBondContact O-CG 3.39Å; H185-A189 WeakPolarHBondContact O-CB 3.45Å; H185-A189 PolarHBondContact O-N 3.01Å; H185-E201 PolarHBondContact N-OE2 2.97Å; H185-H302 AromaticContact CD2-CE1 3.96Å |
| 186 | A | 98.3 | Very high | 98.4 | Very high | 1 Ų | 1 | 4.7 Ų | 4.7 | 1% | 0.008 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -55.3 | -45.2 | -167 | 0 | 0 | 0 | 0 | 0 | 114.2 | V141 A190 R198 | V141-A186 HydrophobicContact CG2-CB 4.11Å; A186-A190 PolarHBondContact O-N 2.92Å; A186-R198 HydrophobicContact CB-CB 4.04Å |
| 187 | T | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -63.9 | -60.7 | 179.6 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | I71 D73 S123 A127 F130 M131 H185 A189 A190 E338 | I71-T187 HydrophobicContact CG2-CG2 4.41Å; D73-T187 PolarHBondContact OD2-OG1 2.88Å; S123-T187 VanDerWaalsContact CB-OG1 3.22Å; S123-T187 WeakPolarHBondContact CB-OG1 3.42Å; A127-T187 HydrophobicContact CB-CG2 4.27Å; F130-T187 HydrophobicContact CZ-CG2 4.06Å; M131-T187 HydrophobicContact CE-CG2 4.4Å; M131-T187 WeakPolarHBondContact CE-O 3.39Å; H185-T187 VanDerWaalsContact C-N 3.35Å; H185-T187 PolarHBondContact O-N 3.09Å; T187-A189 VanDerWaalsContact C-N 3.31Å; T187-A189 PolarHBondContact O-N 3.03Å; T187-A190 PolarHBondContact O-N 3.03Å; T187-E338 WeakPolarHBondContact CB-OE1 3.39Å; T187-E338 HydrophobicContact CG2-CG 3.95Å |
| 188 | P | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -67.3 | -31.5 | -178.6 | 27.5 | -34.5 | 0 | 0 | 0 | 112.3 | I177 T179 R182 V183 H185 A190 A191 E338 | I177-P188 HydrophobicContact CG2-CB 3.85Å; T179-P188 HydrophobicContact CG2-CB 4.13Å; T179-P188 HydrophobicContact CG2-CG 4.13Å; R182-P188 VanDerWaalsContact O-CG 3.24Å; R182-P188 WeakPolarHBondContact O-CG 3.46Å; V183-P188 WeakPolarHBondContact O-CG 3.27Å; H185-P188 HydrophobicContact CB-CG 4.12Å; H185-P188 WeakPolarHBondContact O-CD 3.2Å; H185-P188 WeakPolarHBondContact O-CG 3.39Å; P188-A190 VanDerWaalsContact C-N 3.29Å; P188-A190 PolarHBondContact O-N 2.85Å; P188-A191 VanDerWaalsContact O-CB 3.22Å; P188-A191 WeakPolarHBondContact O-CB 3.42Å; P188-A191 PolarHBondContact O-N 2.9Å; P188-A191 VanDerWaalsContact O-N 3.13Å; P188-E338 VanDerWaalsContact CD-OE2 3.26Å; P188-E338 WeakPolarHBondContact CD-OE2 3.33Å |
| 189 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.1 | -31.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V141 H185 T187 A191 Y192 A193 M195 A216 | V141-A189 HydrophobicContact CG1-CB 3.97Å; H185-A189 WeakPolarHBondContact O-CB 3.45Å; H185-A189 PolarHBondContact O-N 3.01Å; T187-A189 VanDerWaalsContact C-N 3.31Å; T187-A189 PolarHBondContact O-N 3.03Å; A189-A191 PolarHBondContact O-N 3.07Å; A189-Y192 HydrophobicContact CB-CE1 4.43Å; A189-Y192 PolarHBondContact O-N 2.79Å; A189-A193 HydrophobicContact CB-CB 4.35Å; A189-A193 WeakPolarHBondContact O-CB 3.01Å; A189-A193 PolarHBondContact O-N 3.3Å; A189-M195 HydrophobicContact CB-CE 3.92Å; A189-A216 HydrophobicContact CB-CB 4.34Å |
| 190 | A | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 13.3 Ų | 13.3 | 3% | 0.025 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -15.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A127 M131 V141 A186 T187 P188 Y192 | A127-A190 HydrophobicContact CB-CB 3.43Å; A127-A190 VanDerWaalsContact CB-CB 3.43Å; M131-A190 HydrophobicContact CE-CB 4.37Å; M131-A190 HydrophobicContact SD-CB 4.06Å; V141-A190 VanDerWaalsContact CG1-CA 3.46Å; V141-A190 HydrophobicContact CG1-CB 3.89Å; V141-A190 VanDerWaalsContact CG1-N 3.33Å; A186-A190 PolarHBondContact O-N 2.92Å; T187-A190 PolarHBondContact O-N 3.03Å; P188-A190 VanDerWaalsContact C-N 3.29Å; P188-A190 PolarHBondContact O-N 2.85Å; A190-Y192 VanDerWaalsContact C-N 3.26Å; A190-Y192 PolarHBondContact O-N 2.86Å |
| 191 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -19.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M131 S163 I165 M166 I177 P188 A189 L336 | M131-A191 VanDerWaalsContact SD-CA 3.52Å; M131-A191 HydrophobicContact SD-CB 3.71Å; M131-A191 PolarHBondContact SD-N 2.96Å; M131-A191 VanDerWaalsContact SD-N 3.36Å; S163-A191 WeakPolarHBondContact CB-O 3.4Å; S163-A191 PolarHBondContact OG-O 2.88Å; I165-A191 HydrophobicContact CB-CB 4.37Å; I165-A191 HydrophobicContact CG1-CB 4.26Å; I165-A191 HydrophobicContact CG2-CB 4.5Å; M166-A191 WeakPolarHBondContact CG-O 3.48Å; I177-A191 HydrophobicContact CD1-CB 3.54Å; I177-A191 HydrophobicContact CG1-CB 3.96Å; P188-A191 VanDerWaalsContact O-CB 3.22Å; P188-A191 WeakPolarHBondContact O-CB 3.42Å; P188-A191 PolarHBondContact O-N 2.9Å; P188-A191 VanDerWaalsContact O-N 3.13Å; A189-A191 PolarHBondContact O-N 3.07Å; A191-L336 HydrophobicContact CB-CD2 4.42Å |
| 192 | Y | 98.5 | Very high | 98 | Very high | 8 Ų | 8 | 14.2 Ų | 14.2 | 3% | 0.031 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -145.9 | -21.9 | -173.5 | 65.3 | -98.2 | 0 | 0 | 0 | 115.9 | I177 V183 A189 A190 A216 Q219 L220 N223 A224 | I177-Y192 HydrophobicContact CD1-CD1 3.99Å; V183-Y192 PolarHBondContact O-OH 3.37Å; A189-Y192 HydrophobicContact CB-CE1 4.43Å; A189-Y192 PolarHBondContact O-N 2.79Å; A190-Y192 VanDerWaalsContact C-N 3.26Å; A190-Y192 PolarHBondContact O-N 2.86Å; Y192-A216 VanDerWaalsContact CE2-O 3.23Å; Y192-A216 WeakPolarHBondContact CE2-O 3.41Å; Y192-A216 PolarHBondContact OH-O 2.62Å; Y192-Q219 HydrophobicContact CD2-CB 4.4Å; Y192-Q219 HydrophobicContact CE2-CB 4.41Å; Y192-L220 HydrophobicContact CD2-CB 4.17Å; Y192-L220 HydrophobicContact CE1-CD1 4.14Å; Y192-L220 HydrophobicContact CE2-CB 3.66Å; Y192-L220 HydrophobicContact CE2-CG 4.41Å; Y192-N223 VanDerWaalsContact O-CB 3.29Å; Y192-N223 WeakPolarHBondContact O-CB 3.29Å; Y192-N223 PolarHBondContact O-ND2 2.87Å; Y192-A224 HydrophobicContact CG-CB 4.04Å |
| 193 | A | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | trans | -104.3 | 151.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A189 M195 Q219 | A189-A193 HydrophobicContact CB-CB 4.35Å; A189-A193 WeakPolarHBondContact O-CB 3.01Å; A189-A193 PolarHBondContact O-N 3.3Å; A193-M195 HydrophobicContact CB-CG 4.12Å; A193-Q219 VanDerWaalsContact CA-OE1 3.27Å; A193-Q219 HydrophobicContact CB-CB 4.09Å | ||
| 194 | N | 97.5 | Very high | 97.3 | Very high | 26 Ų | 26 | 19.4 Ų | 19.4 | 14% | 0.139 | 9% | 0.094 | C | C | . | . | trans | -119.8 | 104.5 | 167.7 | -52.9 | 115.2 | 0 | 0 | 0 | 107.6 | V141 G142 I143 L155 R160 A161 Q219 | V141-N194 CarbonylContact O-C 3.4Å; V141-N194 WeakPolarHBondContact O-CA 3.22Å; G142-N194 PolarHBondContact O-ND2 3.41Å; I143-N194 HydrophobicContact CD1-CB 4Å; L155-N194 HydrophobicContact CD1-CB 4.25Å; R160-N194 HydrophobicContact CG-CB 4.19Å; A161-N194 PolarHBondContact O-ND2 3.05Å; N194-Q219 PolarHBondContact O-NE2 2.61Å | ||
| 195 | M | 96.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | B | Isolated β-bridge | trans | -126.3 | 130.7 | -176.9 | -55.1 | -173.4 | -71.6 | 0 | 0 | 111.4 | V141 I143 A189 A193 H197 W200 A216 | V141-M195 HydrophobicContact CB-CB 4.27Å; V141-M195 HydrophobicContact CB-CE 3.66Å; V141-M195 HydrophobicContact CG1-CE 3.87Å; V141-M195 HydrophobicContact CG2-CE 3.68Å; V141-M195 PolarHBondContact N-O 3.09Å; V141-M195 PolarHBondContact O-N 3.03Å; I143-M195 VanDerWaalsContact CG1-O 3.25Å; I143-M195 WeakPolarHBondContact CG1-O 3.28Å; A189-M195 HydrophobicContact CB-CE 3.92Å; A193-M195 HydrophobicContact CB-CG 4.12Å; M195-H197 WeakPolarHBondContact CB-O 3.34Å; M195-H197 PolarHBondContact O-N 2.6Å; M195-W200 HydrophobicContact SD-CB 4.27Å; M195-A216 HydrophobicContact CE-CB 3.89Å; M195-A216 HydrophobicContact SD-CB 3.5Å; M195-A216 VanDerWaalsContact SD-CB 3.5Å |
| 196 | L | 95.7 | Very high | 95.7 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -75.7 | -4.5 | 174.6 | -71.4 | 164.1 | 0 | 0 | 0 | 113.2 | I143 V147 C149 C150 E151 T153 L155 W200 | I143-L196 HydrophobicContact CD1-CD2 4.37Å; I143-L196 HydrophobicContact CG1-CD2 4.3Å; I143-L196 HydrophobicContact CG2-CD2 4.29Å; V147-L196 HydrophobicContact CB-CD2 4.48Å; V147-L196 HydrophobicContact CG1-CD2 3.6Å; C149-L196 PolarHBondContact SG-O 2.57Å; C150-L196 WeakPolarHBondContact CA-O 3.3Å; E151-L196 WeakPolarHBondContact O-CD1 3.43Å; T153-L196 WeakPolarHBondContact OG1-CD1 3.27Å; L155-L196 HydrophobicContact CD2-CD1 4.13Å; L155-L196 HydrophobicContact CD2-CD2 3.99Å; L155-L196 HydrophobicContact CD2-CG 4.23Å; L155-L196 HydrophobicContact CG-CD1 4.3Å; L196-W200 HydrophobicContact CB-CH2 3.85Å; L196-W200 HydrophobicContact CB-CZ3 3.74Å |
| 197 | H | 96.9 | Very high | 94.5 | Very high | 33 Ų | 33 | 30.3 Ų | 30.3 | 15% | 0.153 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -149.9 | 132.7 | 165.5 | -163 | -90.3 | 0 | 0 | 0 | 110.2 | N139 M195 D199 W200 | N139-H197 CarbonylContact O-C 3.53Å; N139-H197 VanDerWaalsContact O-CA 3.25Å; N139-H197 WeakPolarHBondContact O-CA 3.33Å; M195-H197 WeakPolarHBondContact CB-O 3.34Å; M195-H197 PolarHBondContact O-N 2.6Å; H197-D199 IonicContact CE1-OD2 3.03Å; H197-D199 PolarHBondContact CE1-OD2 3.31Å; H197-D199 VanDerWaalsContact CE1-OD2 3.26Å; H197-D199 WeakPolarHBondContact ND1-CB 3.41Å; H197-D199 PolarHBondContact ND1-N 2.93Å; H197-D199 IonicContact ND1-OD2 2.69Å; H197-D199 PolarHBondContact O-N 3.37Å; H197-W200 HydrophobicContact CB-CD2 3.72Å; H197-W200 HydrophobicContact CB-CE3 4.42Å; H197-W200 HydrophobicContact CB-CG 3.93Å; H197-W200 HydrophobicContact CB-CH2 4.46Å; H197-W200 HydrophobicContact CB-CZ2 3.79Å; H197-W200 AromaticContact CG-NE1 3.94Å; H197-W200 WeakPolarHBondContact O-CB 3.33Å; H197-W200 PolarHBondContact O-N 2.83Å |
| 198 | R | 97.7 | Very high | 93.2 | Very high | 27 Ų | 27 | 39.9 Ų | 39.9 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -28.6 | -176.4 | 64.2 | -178.3 | -77.1 | 159.8 | -3.7 | 114 | D122 S123 N139 V141 A186 W200 | D122-R198 VanDerWaalsContact CG-NH1 3.26Å; D122-R198 WeakPolarHBondContact OD2-CD 3.12Å; D122-R198 IonicContact OD2-CZ 3.66Å; D122-R198 IonicContact OD2-NE 3.82Å; D122-R198 IonicContact OD2-NH1 2.65Å; D122-R198 PolarHBondContact OD2-NH1 3.1Å; S123-R198 PolarHBondContact OG-NH2 2.77Å; S123-R198 VanDerWaalsContact OG-NH2 3.16Å; N139-R198 PolarHBondContact O-N 2.98Å; V141-R198 HydrophobicContact CG2-CB 3.71Å; A186-R198 HydrophobicContact CB-CB 4.04Å; R198-W200 PolarHBondContact O-N 3.21Å |
| 199 | D | 96.9 | Very high | 91.7 | Very high | 104 Ų | 104 | 45.2 Ų | 45.2 | 56% | 0.556 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 2 | -179.8 | -58.9 | -19.3 | 0 | 0 | 0 | 113.6 | H197 E201 | H197-D199 IonicContact CE1-OD2 3.03Å; H197-D199 PolarHBondContact CE1-OD2 3.31Å; H197-D199 VanDerWaalsContact CE1-OD2 3.26Å; H197-D199 WeakPolarHBondContact ND1-CB 3.41Å; H197-D199 PolarHBondContact ND1-N 2.93Å; H197-D199 IonicContact ND1-OD2 2.69Å; H197-D199 PolarHBondContact O-N 3.37Å; D199-E201 PolarHBondContact O-N 3.41Å |
| 200 | W | 97.1 | Very high | 90.6 | Very high | 18 Ų | 18 | 50.8 Ų | 50.8 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | trans | -80.1 | 54.8 | 175.2 | -64 | -5.4 | 0 | 0 | 0 | 111.5 | C152 M195 L196 H197 R198 V204 C213 D215 A216 | C152-W200 HydrophobicContact CB-CH2 3.7Å; C152-W200 HydrophobicContact CB-CZ3 4.09Å; M195-W200 HydrophobicContact SD-CB 4.27Å; L196-W200 HydrophobicContact CB-CH2 3.85Å; L196-W200 HydrophobicContact CB-CZ3 3.74Å; H197-W200 HydrophobicContact CB-CD2 3.72Å; H197-W200 HydrophobicContact CB-CE3 4.42Å; H197-W200 HydrophobicContact CB-CG 3.93Å; H197-W200 HydrophobicContact CB-CH2 4.46Å; H197-W200 HydrophobicContact CB-CZ2 3.79Å; H197-W200 AromaticContact CG-NE1 3.94Å; H197-W200 WeakPolarHBondContact O-CB 3.33Å; H197-W200 PolarHBondContact O-N 2.83Å; R198-W200 PolarHBondContact O-N 3.21Å; W200-V204 HydrophobicContact CB-CG2 4.07Å; W200-V204 HydrophobicContact CD2-CB 4.36Å; W200-V204 HydrophobicContact CD2-CG1 3.91Å; W200-V204 HydrophobicContact CD2-CG2 4.03Å; W200-V204 HydrophobicContact CE3-CB 4.44Å; W200-V204 HydrophobicContact CE3-CG1 3.83Å; W200-V204 HydrophobicContact CE3-CG2 3.88Å; W200-V204 HydrophobicContact CG-CG2 4.12Å; W200-V204 HydrophobicContact CH2-CG1 4.24Å; W200-V204 HydrophobicContact CZ2-CG1 4.29Å; W200-V204 HydrophobicContact CZ3-CG1 3.99Å; W200-C213 HydrophobicContact CE3-CB 4.36Å; W200-C213 HydrophobicContact CZ3-CB 3.98Å; W200-D215 CarbonylContact O-C 3.51Å; W200-D215 WeakPolarHBondContact O-CA 3.31Å; W200-D215 VanDerWaalsContact O-CB 3.27Å; W200-D215 WeakPolarHBondContact O-CB 3.46Å; W200-A216 PolarHBondContact O-N 3.09Å | ||
| 201 | E | 98.2 | Very high | 89.8 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -73.3 | -43.8 | -174.8 | -64.4 | -168.4 | -113.9 | 0 | 0 | 112.7 | R182 T184 H185 D199 A216 A217 E237 | R182-E201 IonicContact CZ-OE1 3.76Å; R182-E201 IonicContact CZ-OE2 3.4Å; R182-E201 VanDerWaalsContact NE-CD 3.31Å; R182-E201 IonicContact NE-OE1 3.94Å; R182-E201 PolarHBondContact NE-OE1 3.5Å; R182-E201 IonicContact NE-OE2 3.01Å; R182-E201 PolarHBondContact NE-OE2 2.85Å; R182-E201 IonicContact NH2-OE1 3.94Å; R182-E201 PolarHBondContact NH2-OE1 3.5Å; R182-E201 IonicContact NH2-OE2 2.97Å; T184-E201 VanDerWaalsContact C-OE2 3.25Å; T184-E201 WeakPolarHBondContact CB-OE2 3.19Å; T184-E201 WeakPolarHBondContact O-CG 3.39Å; T184-E201 PolarHBondContact OG1-OE2 3.21Å; H185-E201 PolarHBondContact N-OE2 2.97Å; D199-E201 PolarHBondContact O-N 3.41Å; E201-A216 PolarHBondContact O-N 2.92Å; E201-A217 WeakPolarHBondContact O-CB 3.29Å; E201-A217 PolarHBondContact O-N 2.89Å; E201-E237 HydrophobicContact CB-CG 4.43Å |
| 202 | S | 97.7 | Very high | 89.3 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -131.1 | -7.4 | -179.9 | 51.8 | 0 | 0 | 0 | 0 | 114 | E237 K252 | S202-E237 VanDerWaalsContact CB-O 3.25Å; S202-E237 WeakPolarHBondContact CB-O 3.3Å; S202-E237 WeakPolarHBondContact CB-OE2 3.33Å; S202-E237 PolarHBondContact OG-OE2 2.92Å; S202-K252 WeakPolarHBondContact OG-CB 3.44Å |
| 203 | K | 92.8 | Very high | 89 | Confident | 121 Ų | 121 | 60.9 Ų | 60.9 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | trans | -150.3 | 132 | -176.2 | -178 | 178.5 | 179.4 | -179.4 | 0 | 110.4 | ||||
| 204 | V | 90.4 | Very high | 88.8 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -100.5 | 135.1 | 168 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | C152 W200 C213 D215 | C152-V204 HydrophobicContact CB-CG1 4.21Å; W200-V204 HydrophobicContact CB-CG2 4.07Å; W200-V204 HydrophobicContact CD2-CB 4.36Å; W200-V204 HydrophobicContact CD2-CG1 3.91Å; W200-V204 HydrophobicContact CD2-CG2 4.03Å; W200-V204 HydrophobicContact CE3-CB 4.44Å; W200-V204 HydrophobicContact CE3-CG1 3.83Å; W200-V204 HydrophobicContact CE3-CG2 3.88Å; W200-V204 HydrophobicContact CG-CG2 4.12Å; W200-V204 HydrophobicContact CH2-CG1 4.24Å; W200-V204 HydrophobicContact CZ2-CG1 4.29Å; W200-V204 HydrophobicContact CZ3-CG1 3.99Å; V204-C213 HydrophobicContact CG1-CB 3.96Å; V204-C213 HydrophobicContact CG2-CB 4.2Å; V204-C213 WeakPolarHBondContact CG2-O 3.4Å; V204-D215 HydrophobicContact CG2-CB 4.3Å |
| 205 | P | 85.2 | Confident | 88.8 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 142.1 | 170.4 | -23 | 33.2 | 0 | 0 | 0 | 111.5 | N207 | P205-N207 PolarHBondContact O-N 2.9Š|
| 206 | S | 78.6 | Confident | 88.9 | Confident | 122 Ų | 122 | 62.8 Ų | 62.8 | 85% | 0.853 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 126.6 | 168.2 | 50.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 207 | N | 73.8 | Confident | 89 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 27% | 0.273 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -100.6 | 162.8 | 172.7 | 58.5 | -8.3 | 0 | 0 | 0 | 110.4 | C152 P205 H209 F211 | C152-N207 HydrophobicContact CB-CB 4.27Å; C152-N207 WeakPolarHBondContact CB-ND2 3.38Å; C152-N207 PolarHBondContact O-ND2 2.76Å; C152-N207 PolarHBondContact SG-ND2 2.91Å; P205-N207 PolarHBondContact O-N 2.9Å; N207-H209 PolarHBondContact O-N 3.25Å; N207-H209 PolarHBondContact OD1-O 2.98Å; N207-H209 VanDerWaalsContact OD1-O 3.06Å; N207-F211 PolarHBondContact ND2-O 3.12Å; N207-F211 PolarHBondContact OD1-O 2.93Å |
| 208 | E | 70.5 | Confident | 89.1 | Confident | 202 Ų | 202 | 61.2 Ų | 61.2 | 94% | 0.944 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -73.7 | -12.1 | 173.1 | -63 | -174.6 | 174 | 0 | 0 | 112.6 | ||
| 209 | H | 67 | Low | 89.1 | Confident | 112 Ų | 112 | 60.5 Ų | 60.5 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -86.9 | 152.4 | -178.7 | -59 | -51.7 | 0 | 0 | 0 | 111.9 | N207 F211 | N207-H209 PolarHBondContact O-N 3.25Å; N207-H209 PolarHBondContact OD1-O 2.98Å; N207-H209 VanDerWaalsContact OD1-O 3.06Å; H209-F211 PolarHBondContact O-N 2.89Å |
| 210 | A | 75.4 | Confident | 89.2 | Confident | 116 Ų | 116 | 55.5 Ų | 55.5 | 96% | 0.959 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -70.1 | -9.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 211 | F | 83.4 | Confident | 89.2 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | trans | -86.8 | 131.4 | -177.2 | -176.3 | -97.2 | 0 | 0 | 0 | 111.7 | T153 E154 N207 H209 C213 | T153-F211 VanDerWaalsContact C-CD1 3.48Å; T153-F211 WeakPolarHBondContact O-CE1 3.33Å; E154-F211 HydrophobicContact CB-CD1 4.25Å; E154-F211 HydrophobicContact CB-CD2 3.65Å; E154-F211 HydrophobicContact CB-CE1 4.29Å; E154-F211 HydrophobicContact CB-CE2 3.7Å; E154-F211 HydrophobicContact CB-CG 3.93Å; E154-F211 HydrophobicContact CB-CZ 4.03Å; E154-F211 HydrophobicContact CG-CD2 4.01Å; E154-F211 HydrophobicContact CG-CE2 3.64Å; E154-F211 HydrophobicContact CG-CZ 4.09Å; N207-F211 PolarHBondContact ND2-O 3.12Å; N207-F211 PolarHBondContact OD1-O 2.93Å; H209-F211 PolarHBondContact O-N 2.89Å; F211-C213 HydrophobicContact CE1-CB 4.45Å | ||
| 212 | H | 87.4 | Confident | 89.1 | Confident | 142 Ų | 142 | 58.7 Ų | 58.7 | 66% | 0.657 | 33% | 0.328 | S | S | * | . | trans | -103.9 | 110.2 | 178.5 | -173 | 68.1 | 0 | 0 | 0 | 110.9 | ||||
| 213 | C | 92.6 | Very high | 89 | Confident | 13 Ų | 13 | 61 Ų | 61 | 9% | 0.088 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 146.3 | 170.9 | -53.9 | 0 | 0 | 0 | 0 | 110.1 | C152 W200 V204 F211 | C152-C213 WeakPolarHBondContact CA-SG 3.48Å; C152-C213 HydrophobicContact CB-CB 4.08Å; C152-C213 WeakPolarHBondContact CB-SG 3.43Å; C152-C213 WeakPolarHBondContact SG-CB 3.23Å; C152-C213 PolarHBondContact SG-N 3.45Å; C152-C213 CovalentContact SG-SG 2.04Å; C152-C213 PolarHBondContact SG-SG 3.42Å; W200-C213 HydrophobicContact CE3-CB 4.36Å; W200-C213 HydrophobicContact CZ3-CB 3.98Å; V204-C213 HydrophobicContact CG1-CB 3.96Å; V204-C213 HydrophobicContact CG2-CB 4.2Å; V204-C213 WeakPolarHBondContact CG2-O 3.4Å; F211-C213 HydrophobicContact CE1-CB 4.45Å |
| 214 | T | 94 | Very high | 89.2 | Confident | 62 Ų | 62 | 55.3 Ų | 55.3 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -96.9 | 141.3 | 175.8 | 49.1 | 0 | 0 | 0 | 0 | 110.8 | Q219 | T214-Q219 PolarHBondContact O-NE2 3.22Å; T214-Q219 WeakPolarHBondContact OG1-CG 3.37Å; T214-Q219 PolarHBondContact OG1-NE2 3.04Å |
| 215 | D | 97.1 | Very high | 89.4 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.043 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -75 | 165.6 | 177.3 | 61.8 | 88.4 | 0 | 0 | 0 | 113 | W200 V204 A217 A218 Q219 R253 | W200-D215 CarbonylContact O-C 3.51Å; W200-D215 WeakPolarHBondContact O-CA 3.31Å; W200-D215 VanDerWaalsContact O-CB 3.27Å; W200-D215 WeakPolarHBondContact O-CB 3.46Å; V204-D215 HydrophobicContact CG2-CB 4.3Å; D215-A217 PolarHBondContact O-N 3.5Å; D215-A217 WeakPolarHBondContact OD1-CB 2.97Å; D215-A217 PolarHBondContact OD1-N 2.75Å; D215-A218 PolarHBondContact O-N 2.83Å; D215-A218 PolarHBondContact OD1-N 3.18Å; D215-Q219 WeakPolarHBondContact O-CG 3.41Å; D215-Q219 PolarHBondContact O-N 3.01Å; D215-R253 IonicContact OD1-CZ 2.83Å; D215-R253 IonicContact OD1-NH1 2.68Å; D215-R253 PolarHBondContact OD1-NH1 3.12Å; D215-R253 IonicContact OD1-NH2 2.81Å; D215-R253 IonicContact OD2-CZ 3.47Å; D215-R253 IonicContact OD2-NH1 3.23Å; D215-R253 PolarHBondContact OD2-NH1 2.84Å; D215-R253 IonicContact OD2-NH2 3.69Å; D215-R253 PolarHBondContact OD2-NH2 2.8Å |
| 216 | A | 98.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -55.7 | -46.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T184 A189 Y192 M195 W200 E201 A218 Q219 L220 | T184-A216 HydrophobicContact CG2-CB 4.05Å; A189-A216 HydrophobicContact CB-CB 4.34Å; Y192-A216 VanDerWaalsContact CE2-O 3.23Å; Y192-A216 WeakPolarHBondContact CE2-O 3.41Å; Y192-A216 PolarHBondContact OH-O 2.62Å; M195-A216 HydrophobicContact CE-CB 3.89Å; M195-A216 HydrophobicContact SD-CB 3.5Å; M195-A216 VanDerWaalsContact SD-CB 3.5Å; W200-A216 PolarHBondContact O-N 3.09Å; E201-A216 PolarHBondContact O-N 2.92Å; A216-A218 VanDerWaalsContact C-N 3.33Å; A216-A218 PolarHBondContact O-N 3.14Å; A216-Q219 PolarHBondContact O-N 2.94Å; A216-L220 PolarHBondContact O-N 3.41Å |
| 217 | A | 98.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T184 E201 D215 L220 L221 E237 F238 L259 | T184-A217 HydrophobicContact CG2-CB 3.84Å; E201-A217 WeakPolarHBondContact O-CB 3.29Å; E201-A217 PolarHBondContact O-N 2.89Å; D215-A217 PolarHBondContact O-N 3.5Å; D215-A217 WeakPolarHBondContact OD1-CB 2.97Å; D215-A217 PolarHBondContact OD1-N 2.75Å; A217-L220 WeakPolarHBondContact O-CB 3.33Å; A217-L220 PolarHBondContact O-N 3.48Å; A217-L221 WeakPolarHBondContact O-CD1 3.44Å; A217-E237 HydrophobicContact CB-CB 4.31Å; A217-E237 WeakPolarHBondContact CB-O 3.3Å; A217-F238 HydrophobicContact CB-CD1 4.04Å; A217-F238 HydrophobicContact CB-CE1 3.85Å; A217-F238 HydrophobicContact CB-CE2 4.38Å; A217-F238 HydrophobicContact CB-CG 4.36Å; A217-F238 HydrophobicContact CB-CZ 4.02Å; A217-L259 HydrophobicContact CB-CD1 3.64Å |
| 218 | A | 98.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | D215 A216 L220 L221 T222 L259 | D215-A218 PolarHBondContact O-N 2.83Å; D215-A218 PolarHBondContact OD1-N 3.18Å; A216-A218 VanDerWaalsContact C-N 3.33Å; A216-A218 PolarHBondContact O-N 3.14Å; A218-L220 VanDerWaalsContact C-N 3.28Å; A218-L220 PolarHBondContact O-N 3.38Å; A218-L221 PolarHBondContact O-N 3.33Å; A218-T222 PolarHBondContact O-N 2.91Å; A218-L259 HydrophobicContact CB-CD1 4.34Å |
| 219 | Q | 98.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 5% | 0.051 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.3 | -26.2 | 177.5 | -71.2 | -170.1 | 50.7 | 0 | 0 | 113.3 | Y192 A193 N194 T214 D215 A216 L221 T222 N223 | Y192-Q219 HydrophobicContact CD2-CB 4.4Å; Y192-Q219 HydrophobicContact CE2-CB 4.41Å; A193-Q219 VanDerWaalsContact CA-OE1 3.27Å; A193-Q219 HydrophobicContact CB-CB 4.09Å; N194-Q219 PolarHBondContact O-NE2 2.61Å; T214-Q219 PolarHBondContact O-NE2 3.22Å; T214-Q219 WeakPolarHBondContact OG1-CG 3.37Å; T214-Q219 PolarHBondContact OG1-NE2 3.04Å; D215-Q219 WeakPolarHBondContact O-CG 3.41Å; D215-Q219 PolarHBondContact O-N 3.01Å; A216-Q219 PolarHBondContact O-N 2.94Å; Q219-L221 VanDerWaalsContact C-N 3.26Å; Q219-L221 PolarHBondContact O-N 3.11Å; Q219-T222 WeakPolarHBondContact CA-OG1 3.16Å; Q219-T222 PolarHBondContact O-N 3.47Å; Q219-T222 PolarHBondContact O-OG1 2.97Å; Q219-N223 VanDerWaalsContact O-CB 3.25Å; Q219-N223 WeakPolarHBondContact O-CB 3.4Å; Q219-N223 PolarHBondContact O-N 3.19Å; Q219-N223 PolarHBondContact OE1-ND2 2.77Å |
| 220 | L | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.9 | -40.6 | 172.7 | -172.8 | 152 | 0 | 0 | 0 | 110.8 | V183 Y192 A216 A217 A218 A224 I230 F238 | V183-L220 HydrophobicContact CG2-CD1 3.99Å; Y192-L220 HydrophobicContact CD2-CB 4.17Å; Y192-L220 HydrophobicContact CE1-CD1 4.14Å; Y192-L220 HydrophobicContact CE2-CB 3.66Å; Y192-L220 HydrophobicContact CE2-CG 4.41Å; A216-L220 PolarHBondContact O-N 3.41Å; A217-L220 WeakPolarHBondContact O-CB 3.33Å; A217-L220 PolarHBondContact O-N 3.48Å; A218-L220 VanDerWaalsContact C-N 3.28Å; A218-L220 PolarHBondContact O-N 3.38Å; L220-A224 HydrophobicContact CG-CB 4.42Å; L220-A224 CarbonylContact O-C 3.49Å; L220-A224 VanDerWaalsContact O-CA 3.31Å; L220-A224 WeakPolarHBondContact O-CA 3.1Å; L220-A224 VanDerWaalsContact O-CB 3.3Å; L220-A224 WeakPolarHBondContact O-CB 3.45Å; L220-A224 PolarHBondContact O-N 3.34Å; L220-I230 HydrophobicContact CD1-CD1 3.96Å; L220-I230 HydrophobicContact CD1-CG2 4.23Å; L220-I230 HydrophobicContact CD2-CD1 3.98Å; L220-I230 HydrophobicContact CG-CD1 3.9Å; L220-F238 HydrophobicContact CB-CE1 4.48Å; L220-F238 HydrophobicContact CD1-CE1 4.22Å; L220-F238 HydrophobicContact CD1-CZ 3.97Å; L220-F238 HydrophobicContact CD2-CE1 4.39Å |
| 221 | L | 97.5 | Very high | 96.1 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70 | -43.8 | 177.3 | -82.9 | 66.3 | 0 | 0 | 0 | 111.8 | A217 A218 Q219 S225 F238 L259 E262 W263 I266 | A217-L221 WeakPolarHBondContact O-CD1 3.44Å; A218-L221 PolarHBondContact O-N 3.33Å; Q219-L221 VanDerWaalsContact C-N 3.26Å; Q219-L221 PolarHBondContact O-N 3.11Å; L221-S225 WeakPolarHBondContact O-CB 3.41Å; L221-F238 HydrophobicContact CD1-CD1 4.49Å; L221-F238 HydrophobicContact CD1-CE1 4.4Å; L221-L259 HydrophobicContact CD1-CB 3.97Å; L221-L259 HydrophobicContact CD1-CD1 4.44Å; L221-L259 HydrophobicContact CD2-CB 4.03Å; L221-L259 HydrophobicContact CD2-CD2 4.12Å; L221-E262 HydrophobicContact CD2-CB 3.54Å; L221-W263 HydrophobicContact CD1-CB 4.29Å; L221-W263 HydrophobicContact CD2-CB 4.42Å; L221-W263 HydrophobicContact CG-CB 4.1Å; L221-I266 HydrophobicContact CB-CD1 4.17Å; L221-I266 HydrophobicContact CD2-CD1 4.2Å; L221-I266 HydrophobicContact CG-CD1 4.34Å |
| 222 | T | 95.7 | Very high | 96.8 | Very high | 92 Ų | 92 | 24.9 Ų | 24.9 | 56% | 0.564 | 13% | 0.133 | S | C | * | . | H | α-helix | trans | -77.1 | -38.5 | -174.4 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | A218 Q219 | A218-T222 PolarHBondContact O-N 2.91Å; Q219-T222 WeakPolarHBondContact CA-OG1 3.16Å; Q219-T222 PolarHBondContact O-N 3.47Å; Q219-T222 PolarHBondContact O-OG1 2.97Å |
| 223 | N | 96.6 | Very high | 97.4 | Very high | 62 Ų | 62 | 18.1 Ų | 18.1 | 33% | 0.332 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -101.8 | -36.5 | -170.8 | -57.1 | -3 | 0 | 0 | 0 | 111.9 | M166 Y192 Q219 | M166-N223 HydrophobicContact SD-CB 4.48Å; M166-N223 VanDerWaalsContact SD-O 3.34Å; Y192-N223 VanDerWaalsContact O-CB 3.29Å; Y192-N223 WeakPolarHBondContact O-CB 3.29Å; Y192-N223 PolarHBondContact O-ND2 2.87Å; Q219-N223 VanDerWaalsContact O-CB 3.25Å; Q219-N223 WeakPolarHBondContact O-CB 3.4Å; Q219-N223 PolarHBondContact O-N 3.19Å; Q219-N223 PolarHBondContact OE1-ND2 2.77Å |
| 224 | A | 96.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -104.8 | 17.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | M166 Y192 L220 H226 V227 I230 | M166-A224 HydrophobicContact CE-CB 4.32Å; Y192-A224 HydrophobicContact CG-CB 4.04Å; L220-A224 HydrophobicContact CG-CB 4.42Å; L220-A224 CarbonylContact O-C 3.49Å; L220-A224 VanDerWaalsContact O-CA 3.31Å; L220-A224 WeakPolarHBondContact O-CA 3.1Å; L220-A224 VanDerWaalsContact O-CB 3.3Å; L220-A224 WeakPolarHBondContact O-CB 3.45Å; L220-A224 PolarHBondContact O-N 3.34Å; A224-H226 PolarHBondContact O-N 2.94Å; A224-H226 VanDerWaalsContact O-N 3.1Å; A224-V227 HydrophobicContact CB-CB 4.19Å; A224-V227 HydrophobicContact CB-CG2 3.65Å; A224-V227 WeakPolarHBondContact O-CB 3.44Å; A224-V227 PolarHBondContact O-N 3.23Å; A224-I230 HydrophobicContact CB-CD1 4.13Å |
| 225 | S | 94.2 | Very high | 97.8 | Very high | 12 Ų | 12 | 14.5 Ų | 14.5 | 8% | 0.084 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.3 | 175.3 | 50.1 | 0 | 0 | 0 | 0 | 114 | L221 Q267 | L221-S225 WeakPolarHBondContact O-CB 3.41Å; S225-Q267 PolarHBondContact O-NE2 2.84Å |
| 226 | H | 97 | Very high | 97.9 | Very high | 86 Ų | 86 | 14.3 Ų | 14.3 | 40% | 0.398 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 7.8 | 176.2 | -65.4 | -73.5 | 0 | 0 | 0 | 114.3 | S169 A224 H272 | S169-H226 WeakPolarHBondContact OG-CB 3.4Å; S169-H226 PolarHBondContact OG-O 3.38Å; S169-H226 VanDerWaalsContact OG-O 3.09Å; A224-H226 PolarHBondContact O-N 2.94Å; A224-H226 VanDerWaalsContact O-N 3.1Å; H226-H272 AromaticContact ND1-CE1 3.89Å |
| 227 | V | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 14.5 Ų | 14.5 | 3% | 0.03 | 8% | 0.08 | C | C | . | . | trans | -78.5 | 124.8 | 169 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | I165 M166 T175 I177 A224 I230 | I165-V227 HydrophobicContact CG2-CG2 4.16Å; M166-V227 HydrophobicContact CE-CG2 3.46Å; M166-V227 VanDerWaalsContact CE-CG2 3.46Å; T175-V227 WeakPolarHBondContact O-CG1 3.35Å; I177-V227 HydrophobicContact CD1-CG1 4.3Å; I177-V227 HydrophobicContact CG1-CG1 4.46Å; A224-V227 HydrophobicContact CB-CB 4.19Å; A224-V227 HydrophobicContact CB-CG2 3.65Å; A224-V227 WeakPolarHBondContact O-CB 3.44Å; A224-V227 PolarHBondContact O-N 3.23Å; V227-I230 HydrophobicContact CB-CD1 4.13Å; V227-I230 HydrophobicContact CB-CG1 4.19Å; V227-I230 HydrophobicContact CG1-CD1 4.11Å; V227-I230 HydrophobicContact CG1-CG1 3.65Å | ||
| 228 | N | 98.8 | Very high | 97.9 | Very high | 15 Ų | 15 | 14.5 Ų | 14.5 | 8% | 0.08 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -72.5 | -34.3 | -172 | -66.8 | 97.9 | 0 | 0 | 0 | 112.9 | S174 T175 D292 Y293 V294 L326 | S174-N228 WeakPolarHBondContact CA-OD1 3.36Å; S174-N228 WeakPolarHBondContact CB-OD1 3.48Å; S174-N228 PolarHBondContact OG-OD1 3.32Å; T175-N228 PolarHBondContact N-OD1 3.44Å; T175-N228 VanDerWaalsContact N-OD1 3.16Å; T175-N228 WeakPolarHBondContact O-CB 3.3Å; T175-N228 PolarHBondContact O-N 2.67Å; N228-D292 WeakPolarHBondContact CB-O 3.46Å; N228-D292 PolarHBondContact ND2-O 3.23Å; N228-Y293 CarbonylContact O-C 3.46Å; N228-Y293 WeakPolarHBondContact O-CA 3.48Å; N228-V294 PolarHBondContact O-N 2.68Å; N228-L326 HydrophobicContact CB-CD2 3.55Å |
| 229 | V | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 119.3 | -176 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | T175 G176 I177 M231 V294 A322 V325 L326 | T175-V229 PolarHBondContact O-N 2.77Å; G176-V229 CarbonylContact C-O 3.57Å; G176-V229 WeakPolarHBondContact CA-O 3.35Å; I177-V229 PolarHBondContact N-O 2.89Å; V229-M231 HydrophobicContact CG1-CE 3.47Å; V229-M231 VanDerWaalsContact CG1-CE 3.47Å; V229-M231 HydrophobicContact CG1-CG 4.03Å; V229-M231 HydrophobicContact CG1-SD 4.24Å; V229-V294 HydrophobicContact CG1-CB 4.43Å; V229-V294 HydrophobicContact CG2-CB 4.47Å; V229-V294 HydrophobicContact CG2-CG2 4.45Å; V229-A322 HydrophobicContact CB-CB 4.41Å; V229-A322 HydrophobicContact CG1-CB 3.85Å; V229-V325 HydrophobicContact CG2-CB 3.7Å; V229-V325 HydrophobicContact CG2-CG1 3.67Å; V229-V325 HydrophobicContact CG2-CG2 4.23Å; V229-L326 HydrophobicContact CB-CD2 4.47Å; V229-L326 HydrophobicContact CG2-CD2 3.97Å; V229-L326 HydrophobicContact CG2-CG 4.21Å |
| 230 | I | 98.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 14 Ų | 14 | 2% | 0.015 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 114.4 | 169.7 | -56.3 | 177.2 | 0 | 0 | 0 | 107.4 | I177 V183 L220 A224 V227 V294 L295 G296 | I177-I230 HydrophobicContact CD1-CG1 4.44Å; I177-I230 CarbonylContact O-C 3.37Å; I177-I230 VanDerWaalsContact O-CA 3.3Å; I177-I230 WeakPolarHBondContact O-CA 3.43Å; V183-I230 HydrophobicContact CB-CG2 3.95Å; V183-I230 HydrophobicContact CG1-CG2 3.78Å; V183-I230 HydrophobicContact CG2-CG2 4.44Å; L220-I230 HydrophobicContact CD1-CD1 3.96Å; L220-I230 HydrophobicContact CD1-CG2 4.23Å; L220-I230 HydrophobicContact CD2-CD1 3.98Å; L220-I230 HydrophobicContact CG-CD1 3.9Å; A224-I230 HydrophobicContact CB-CD1 4.13Å; V227-I230 HydrophobicContact CB-CD1 4.13Å; V227-I230 HydrophobicContact CB-CG1 4.19Å; V227-I230 HydrophobicContact CG1-CD1 4.11Å; V227-I230 HydrophobicContact CG1-CG1 3.65Å; I230-V294 PolarHBondContact N-O 2.88Å; I230-L295 HydrophobicContact CB-CD1 4.05Å; I230-L295 HydrophobicContact CG2-CD1 4.09Å; I230-L295 CarbonylContact O-C 3.51Å; I230-L295 WeakPolarHBondContact O-CA 3.27Å; I230-G296 PolarHBondContact O-N 3.37Å |
| 231 | M | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 133.7 | -178.5 | -70.9 | -172.6 | -61.7 | 0 | 0 | 111.9 | I177 V178 T179 V229 F283 V294 G296 F298 M318 A321 A322 | I177-M231 PolarHBondContact O-N 3.42Å; V178-M231 CarbonylContact C-O 3.46Å; V178-M231 WeakPolarHBondContact CA-O 3.43Å; V178-M231 HydrophobicContact CG2-CB 4.44Å; V178-M231 HydrophobicContact CG2-CE 3.95Å; T179-M231 PolarHBondContact N-O 3.44Å; V229-M231 HydrophobicContact CG1-CE 3.47Å; V229-M231 VanDerWaalsContact CG1-CE 3.47Å; V229-M231 HydrophobicContact CG1-CG 4.03Å; V229-M231 HydrophobicContact CG1-SD 4.24Å; M231-F283 HydrophobicContact SD-CD2 4.41Å; M231-F283 HydrophobicContact SD-CE2 3.86Å; M231-V294 HydrophobicContact CG-CG1 4.19Å; M231-V294 HydrophobicContact SD-CG1 4.2Å; M231-G296 CarbonylContact C-O 3.6Å; M231-G296 VanDerWaalsContact CA-O 3.27Å; M231-G296 WeakPolarHBondContact CA-O 3.3Å; M231-F298 HydrophobicContact CB-CE2 4.1Å; M231-F298 HydrophobicContact CG-CE2 4.17Å; M231-F298 HydrophobicContact CG-CZ 4.49Å; M231-F298 HydrophobicContact SD-CE2 4.28Å; M231-F298 HydrophobicContact SD-CZ 4.31Å; M231-M318 HydrophobicContact CB-CG 4.4Å; M231-M318 HydrophobicContact CB-SD 3.89Å; M231-M318 HydrophobicContact CE-CB 3.93Å; M231-M318 HydrophobicContact CE-CG 4.49Å; M231-M318 WeakPolarHBondContact CE-O 3.36Å; M231-M318 HydrophobicContact SD-CG 4.46Å; M231-A321 HydrophobicContact CE-CB 4.03Å; M231-A321 HydrophobicContact SD-CB 4.49Å; M231-A322 HydrophobicContact CE-CB 4.05Å |
| 232 | G | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.2 | -145.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | T179 G296 L297 F298 | T179-G232 WeakPolarHBondContact O-CA 3.31Å; G232-G296 PolarHBondContact N-O 3.45Å; G232-L297 CarbonylContact O-C 3.49Å; G232-L297 VanDerWaalsContact O-CA 3.3Å; G232-L297 WeakPolarHBondContact O-CA 3.46Å; G232-F298 PolarHBondContact O-N 3.11Å |
| 233 | G | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | -163.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T181 R182 V183 N301 L303 | T181-G233 WeakPolarHBondContact O-CA 3.4Å; T181-G233 PolarHBondContact O-N 2.98Å; R182-G233 WeakPolarHBondContact CA-O 3.47Å; V183-G233 PolarHBondContact N-O 3.22Å; G233-N301 CarbonylContact C-O 3.59Å; G233-N301 WeakPolarHBondContact CA-O 3.39Å; G233-L303 VanDerWaalsContact N-CD1 3.26Å |
| 234 | G | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | 92.3 | 24.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A236 E237 F238 A299 P300 N301 | G234-A236 PolarHBondContact O-N 3.28Å; G234-A236 VanDerWaalsContact O-N 3.11Å; G234-E237 WeakPolarHBondContact O-CB 3.12Å; G234-E237 WeakPolarHBondContact O-CG 3.43Å; G234-E237 PolarHBondContact O-N 3.12Å; G234-F238 WeakPolarHBondContact O-CD2 3.31Å; G234-A299 PolarHBondContact N-O 3.04Å; G234-P300 CarbonylContact C-O 3.54Å; G234-P300 WeakPolarHBondContact CA-O 3.48Å; G234-N301 PolarHBondContact N-O 2.91Å | ||
| 235 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -52.7 | -36.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E237 F238 Y239 F247 L297 A299 P300 | A235-E237 PolarHBondContact O-N 2.9Å; A235-E237 VanDerWaalsContact O-N 3.09Å; A235-F238 PolarHBondContact O-N 3.35Å; A235-F238 VanDerWaalsContact O-N 3.08Å; A235-Y239 VanDerWaalsContact C-CE1 3.41Å; A235-Y239 HydrophobicContact CB-CE1 4.23Å; A235-Y239 WeakPolarHBondContact O-CD1 3.5Å; A235-Y239 WeakPolarHBondContact O-CE1 3.41Å; A235-F247 HydrophobicContact CB-CD2 3.68Å; A235-F247 HydrophobicContact CB-CE2 3.34Å; A235-F247 HydrophobicContact CB-CZ 4.34Å; A235-L297 HydrophobicContact CB-CB 3.92Å; A235-L297 HydrophobicContact CB-CD1 4.36Å; A235-A299 PolarHBondContact N-O 3.09Å; A235-P300 PolarHBondContact N-O 3.18Å |
| 236 | A | 98 | Very high | 96.3 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -64.2 | -14.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G234 F238 G251 K252 P300 | G234-A236 PolarHBondContact O-N 3.28Å; G234-A236 VanDerWaalsContact O-N 3.11Å; A236-F238 VanDerWaalsContact C-N 3.26Å; A236-F238 PolarHBondContact O-N 2.84Å; A236-G251 CarbonylContact O-C 3.6Å; A236-G251 WeakPolarHBondContact O-CA 3.26Å; A236-K252 HydrophobicContact CB-CD 4.48Å; A236-K252 HydrophobicContact CB-CG 4.4Å; A236-K252 WeakPolarHBondContact O-CB 3.46Å; A236-K252 PolarHBondContact O-N 2.7Å; A236-P300 HydrophobicContact CB-CB 4.26Å; A236-P300 WeakPolarHBondContact CB-O 3.04Å; A236-P300 PolarHBondContact N-O 3.5Å; A236-P300 VanDerWaalsContact N-O 3.1Å |
| 237 | E | 98.3 | Very high | 96 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 1% | 0.014 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -76 | -14.2 | 176.1 | -52.8 | -61.9 | 159.9 | 0 | 0 | 113 | R182 T184 E201 S202 A217 G234 A235 K252 R253 | R182-E237 WeakPolarHBondContact CD-OE1 3.25Å; R182-E237 IonicContact NE-OE1 3.44Å; T184-E237 HydrophobicContact CG2-CB 4.14Å; T184-E237 HydrophobicContact CG2-CG 4.47Å; T184-E237 WeakPolarHBondContact OG1-CG 3.29Å; E201-E237 HydrophobicContact CB-CG 4.43Å; S202-E237 VanDerWaalsContact CB-O 3.25Å; S202-E237 WeakPolarHBondContact CB-O 3.3Å; S202-E237 WeakPolarHBondContact CB-OE2 3.33Å; S202-E237 PolarHBondContact OG-OE2 2.92Å; A217-E237 HydrophobicContact CB-CB 4.31Å; A217-E237 WeakPolarHBondContact CB-O 3.3Å; G234-E237 WeakPolarHBondContact O-CB 3.12Å; G234-E237 WeakPolarHBondContact O-CG 3.43Å; G234-E237 PolarHBondContact O-N 3.12Å; A235-E237 PolarHBondContact O-N 2.9Å; A235-E237 VanDerWaalsContact O-N 3.09Å; E237-K252 VanDerWaalsContact CD-CD 3.46Å; E237-K252 WeakPolarHBondContact OE1-CD 3.42Å; E237-K252 WeakPolarHBondContact OE1-CE 3.45Å; E237-K252 IonicContact OE1-NZ 2.67Å; E237-K252 PolarHBondContact OE1-NZ 2.89Å; E237-K252 VanDerWaalsContact OE2-CD 3.31Å; E237-K252 WeakPolarHBondContact OE2-CD 3.39Å; E237-R253 WeakPolarHBondContact O-CG 3.22Å |
| 238 | F | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -103.6 | -5.2 | -168.9 | -67.8 | -96.8 | 0 | 0 | 0 | 114.7 | V183 T184 A217 L220 L221 G234 A235 A236 R253 N258 L259 L260 L297 | V183-F238 HydrophobicContact CG2-CE2 3.87Å; V183-F238 HydrophobicContact CG2-CZ 3.76Å; T184-F238 HydrophobicContact CG2-CE2 3.88Å; T184-F238 HydrophobicContact CG2-CZ 3.78Å; A217-F238 HydrophobicContact CB-CD1 4.04Å; A217-F238 HydrophobicContact CB-CE1 3.85Å; A217-F238 HydrophobicContact CB-CE2 4.38Å; A217-F238 HydrophobicContact CB-CG 4.36Å; A217-F238 HydrophobicContact CB-CZ 4.02Å; L220-F238 HydrophobicContact CB-CE1 4.48Å; L220-F238 HydrophobicContact CD1-CE1 4.22Å; L220-F238 HydrophobicContact CD1-CZ 3.97Å; L220-F238 HydrophobicContact CD2-CE1 4.39Å; L221-F238 HydrophobicContact CD1-CD1 4.49Å; L221-F238 HydrophobicContact CD1-CE1 4.4Å; G234-F238 WeakPolarHBondContact O-CD2 3.31Å; A235-F238 PolarHBondContact O-N 3.35Å; A235-F238 VanDerWaalsContact O-N 3.08Å; A236-F238 VanDerWaalsContact C-N 3.26Å; A236-F238 PolarHBondContact O-N 2.84Å; F238-R253 VanDerWaalsContact C-CD 3.45Å; F238-R253 WeakPolarHBondContact O-CD 3.35Å; F238-N258 CarbonylContact O-C 3.57Å; F238-L259 HydrophobicContact CB-CB 4.09Å; F238-L259 HydrophobicContact CD1-CB 3.81Å; F238-L259 HydrophobicContact CD1-CD1 4.23Å; F238-L259 HydrophobicContact CG-CB 4.44Å; F238-L259 WeakPolarHBondContact O-CB 3.39Å; F238-L259 PolarHBondContact O-N 2.8Å; F238-L260 HydrophobicContact CB-CD1 4.44Å; F238-L260 HydrophobicContact CB-CD2 3.48Å; F238-L260 VanDerWaalsContact CB-CD2 3.48Å; F238-L260 HydrophobicContact CB-CG 3.67Å; F238-L260 HydrophobicContact CD1-CD2 4.07Å; F238-L260 HydrophobicContact CD2-CD2 4.44Å; F238-L260 HydrophobicContact CG-CD2 3.75Å; F238-L260 HydrophobicContact CG-CG 4.47Å; F238-L297 HydrophobicContact CD2-CD1 3.73Å; F238-L297 HydrophobicContact CE2-CD1 3.86Å; F238-L297 HydrophobicContact CG-CD1 4.24Å; F238-L297 HydrophobicContact CZ-CD1 4.46Å |
| 239 | Y | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -143.1 | 167 | -178.3 | 59.5 | -94.9 | 0 | 0 | 0 | 111.6 | A235 D243 T245 V249 G251 K252 R253 L260 | A235-Y239 VanDerWaalsContact C-CE1 3.41Å; A235-Y239 HydrophobicContact CB-CE1 4.23Å; A235-Y239 WeakPolarHBondContact O-CD1 3.5Å; A235-Y239 WeakPolarHBondContact O-CE1 3.41Å; Y239-D243 HydrophobicContact CD2-CB 3.88Å; Y239-D243 HydrophobicContact CG-CB 4.28Å; Y239-T245 HydrophobicContact CD1-CG2 3.7Å; Y239-T245 HydrophobicContact CD2-CG2 3.7Å; Y239-T245 HydrophobicContact CE1-CG2 3.63Å; Y239-T245 HydrophobicContact CE2-CG2 3.64Å; Y239-T245 HydrophobicContact CG-CG2 3.73Å; Y239-T245 PolarHBondContact OH-OG1 3.33Å; Y239-T245 VanDerWaalsContact OH-OG1 3.13Å; Y239-V249 VanDerWaalsContact CE2-O 3.25Å; Y239-V249 WeakPolarHBondContact CE2-O 3.36Å; Y239-V249 PolarHBondContact OH-O 3.25Å; Y239-G251 VanDerWaalsContact CD2-CA 3.44Å; Y239-G251 CarbonylContact O-C 3.55Å; Y239-G251 WeakPolarHBondContact O-CA 3.47Å; Y239-K252 PolarHBondContact O-N 2.79Å; Y239-K252 VanDerWaalsContact O-N 3.15Å; Y239-R253 WeakPolarHBondContact O-CB 3.13Å; Y239-R253 WeakPolarHBondContact O-CG 3.24Å; Y239-R253 PolarHBondContact O-N 2.92Å; Y239-L260 HydrophobicContact CD1-CD1 4.02Å |
| 240 | G | 96.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | trans | -87.9 | 169.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S242 D243 G251 | G240-S242 PolarHBondContact O-N 3.16Å; G240-S242 VanDerWaalsContact O-N 3.09Å; G240-D243 WeakPolarHBondContact CA-OD2 3.03Å; G240-D243 PolarHBondContact N-OD2 2.75Å; G240-D243 PolarHBondContact O-N 2.64Å; G240-G251 PolarHBondContact O-N 3.04Å | ||
| 241 | P | 95 | Very high | 95.2 | Very high | 75 Ų | 75 | 46 Ų | 46 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.8 | -179.8 | -25.6 | 32.2 | 0 | 0 | 0 | 115.7 | K250 G251 R253 | P241-K250 HydrophobicContact CB-CB 4.44Å; P241-G251 WeakPolarHBondContact CG-O 3.18Å; P241-R253 VanDerWaalsContact CD-O 3.24Å; P241-R253 WeakPolarHBondContact CD-O 3.3Å |
| 242 | S | 93.5 | Very high | 95.1 | Very high | 118 Ų | 118 | 50.3 Ų | 50.3 | 83% | 0.825 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -6.8 | -176.1 | -55.4 | 0 | 0 | 0 | 0 | 113.6 | G240 | G240-S242 PolarHBondContact O-N 3.16Å; G240-S242 VanDerWaalsContact O-N 3.09Å |
| 243 | D | 93.7 | Very high | 94.9 | Very high | 49 Ų | 49 | 50.4 Ų | 50.4 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | trans | -75 | 133.1 | 177.7 | -70.1 | -86 | 0 | 0 | 0 | 110.7 | Y239 G240 T245 N258 | Y239-D243 HydrophobicContact CD2-CB 3.88Å; Y239-D243 HydrophobicContact CG-CB 4.28Å; G240-D243 WeakPolarHBondContact CA-OD2 3.03Å; G240-D243 PolarHBondContact N-OD2 2.75Å; G240-D243 PolarHBondContact O-N 2.64Å; D243-T245 HydrophobicContact CB-CG2 4.4Å; D243-N258 PolarHBondContact OD1-ND2 3.16Å | ||
| 244 | N | 89.2 | Confident | 94.6 | Very high | 163 Ų | 163 | 54.2 Ų | 54.2 | 87% | 0.872 | 31% | 0.305 | S | S | * | . | trans | -85.3 | 118.5 | 171.5 | -77.6 | -12.5 | 0 | 0 | 0 | 109.6 | ||||
| 245 | T | 88.9 | Confident | 94.3 | Very high | 34 Ų | 34 | 57.2 Ų | 57.2 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | trans | -128 | 167.6 | 179.1 | 70.3 | 0 | 0 | 0 | 0 | 111.6 | Y239 D243 F247 N248 | Y239-T245 HydrophobicContact CD1-CG2 3.7Å; Y239-T245 HydrophobicContact CD2-CG2 3.7Å; Y239-T245 HydrophobicContact CE1-CG2 3.63Å; Y239-T245 HydrophobicContact CE2-CG2 3.64Å; Y239-T245 HydrophobicContact CG-CG2 3.73Å; Y239-T245 PolarHBondContact OH-OG1 3.33Å; Y239-T245 VanDerWaalsContact OH-OG1 3.13Å; D243-T245 HydrophobicContact CB-CG2 4.4Å; T245-F247 PolarHBondContact O-N 2.87Å; T245-N248 PolarHBondContact O-N 3.11Å | ||
| 246 | T | 88 | Confident | 94 | Very high | 85 Ų | 85 | 62.9 Ų | 62.9 | 52% | 0.521 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -28.7 | 179.7 | -49.7 | 0 | 0 | 0 | 0 | 113.5 | H278 T279 | T246-H278 HydrophobicContact CG2-CB 4.23Å; T246-T279 HydrophobicContact CG2-CG2 3.77Å |
| 247 | F | 90.6 | Very high | 93.8 | Very high | 45 Ų | 45 | 66.3 Ų | 66.3 | 20% | 0.197 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -16.3 | -178.1 | -63.3 | -67.9 | 0 | 0 | 0 | 114.5 | A235 T245 V249 H278 L297 P300 | A235-F247 HydrophobicContact CB-CD2 3.68Å; A235-F247 HydrophobicContact CB-CE2 3.34Å; A235-F247 HydrophobicContact CB-CZ 4.34Å; T245-F247 PolarHBondContact O-N 2.87Å; F247-V249 HydrophobicContact CB-CB 4.38Å; F247-V249 HydrophobicContact CB-CG2 4.4Å; F247-V249 PolarHBondContact O-N 3.45Å; F247-V249 VanDerWaalsContact O-N 3.16Å; F247-H278 HydrophobicContact CE2-CB 4Å; F247-H278 AromaticContact CE2-CG 3.93Å; F247-H278 AromaticContact CE2-ND1 3.57Å; F247-H278 HydrophobicContact CZ-CB 3.93Å; F247-H278 WeakPolarHBondContact CZ-O 3.47Å; F247-L297 WeakPolarHBondContact CE2-O 3.41Å; F247-L297 WeakPolarHBondContact CZ-O 3.45Å; F247-P300 HydrophobicContact CB-CB 4.39Å; F247-P300 HydrophobicContact CG-CB 4.37Å |
| 248 | N | 91.2 | Very high | 93.8 | Very high | 149 Ų | 149 | 67.3 Ų | 67.3 | 80% | 0.797 | 38% | 0.378 | S | S | * | . | trans | 51.2 | 34.2 | -172 | -165.5 | 32.4 | 0 | 0 | 0 | 113.4 | T245 | T245-N248 PolarHBondContact O-N 3.11Š| ||
| 249 | V | 94.2 | Very high | 93.8 | Very high | 67 Ų | 67 | 67.3 Ų | 67.3 | 41% | 0.406 | 38% | 0.378 | S | S | . | . | trans | -117.7 | 137.3 | 176.9 | 173.3 | 0 | 0 | 0 | 0 | 108.5 | Y239 F247 G251 P300 | Y239-V249 VanDerWaalsContact CE2-O 3.25Å; Y239-V249 WeakPolarHBondContact CE2-O 3.36Å; Y239-V249 PolarHBondContact OH-O 3.25Å; F247-V249 HydrophobicContact CB-CB 4.38Å; F247-V249 HydrophobicContact CB-CG2 4.4Å; F247-V249 PolarHBondContact O-N 3.45Å; F247-V249 VanDerWaalsContact O-N 3.16Å; V249-G251 PolarHBondContact O-N 3.45Å; V249-P300 HydrophobicContact CB-CB 4.14Å; V249-P300 HydrophobicContact CG1-CB 4.13Å; V249-P300 HydrophobicContact CG2-CB 4.33Å; V249-P300 HydrophobicContact CG2-CG 4.25Å | ||
| 250 | K | 95.6 | Very high | 93.8 | Very high | 163 Ų | 163 | 67.6 Ų | 67.6 | 71% | 0.709 | 38% | 0.379 | S | S | * | . | trans | -58 | 131.8 | 177.2 | -66.8 | -176.3 | 178.8 | -179.4 | 0 | 111.3 | P241 | P241-K250 HydrophobicContact CB-CB 4.44Š| ||
| 251 | G | 97.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 71.3 Ų | 71.3 | 6% | 0.062 | 40% | 0.398 | C | S | . | . | trans | -71.6 | 164.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A236 Y239 G240 P241 V249 | A236-G251 CarbonylContact O-C 3.6Å; A236-G251 WeakPolarHBondContact O-CA 3.26Å; Y239-G251 VanDerWaalsContact CD2-CA 3.44Å; Y239-G251 CarbonylContact O-C 3.55Å; Y239-G251 WeakPolarHBondContact O-CA 3.47Å; G240-G251 PolarHBondContact O-N 3.04Å; P241-G251 WeakPolarHBondContact CG-O 3.18Å; V249-G251 PolarHBondContact O-N 3.45Å | ||
| 252 | K | 96.8 | Very high | 94 | Very high | 92 Ų | 92 | 70.3 Ų | 70.3 | 40% | 0.4 | 39% | 0.387 | S | S | . | . | trans | -104.6 | -10.8 | -174.8 | -67.5 | 173.9 | 173.8 | -173.7 | 0 | 113.6 | S202 A236 E237 Y239 | S202-K252 WeakPolarHBondContact OG-CB 3.44Å; A236-K252 HydrophobicContact CB-CD 4.48Å; A236-K252 HydrophobicContact CB-CG 4.4Å; A236-K252 WeakPolarHBondContact O-CB 3.46Å; A236-K252 PolarHBondContact O-N 2.7Å; E237-K252 VanDerWaalsContact CD-CD 3.46Å; E237-K252 WeakPolarHBondContact OE1-CD 3.42Å; E237-K252 WeakPolarHBondContact OE1-CE 3.45Å; E237-K252 IonicContact OE1-NZ 2.67Å; E237-K252 PolarHBondContact OE1-NZ 2.89Å; E237-K252 VanDerWaalsContact OE2-CD 3.31Å; E237-K252 WeakPolarHBondContact OE2-CD 3.39Å; Y239-K252 PolarHBondContact O-N 2.79Å; Y239-K252 VanDerWaalsContact O-N 3.15Å | ||
| 253 | R | 95.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.008 | 35% | 0.349 | C | S | . | . | trans | -69 | 139.1 | 179.2 | -62.2 | -160.8 | 69.7 | 78.2 | -0.1 | 111.5 | D215 E237 F238 Y239 P241 D255 R257 | D215-R253 IonicContact OD1-CZ 2.83Å; D215-R253 IonicContact OD1-NH1 2.68Å; D215-R253 PolarHBondContact OD1-NH1 3.12Å; D215-R253 IonicContact OD1-NH2 2.81Å; D215-R253 IonicContact OD2-CZ 3.47Å; D215-R253 IonicContact OD2-NH1 3.23Å; D215-R253 PolarHBondContact OD2-NH1 2.84Å; D215-R253 IonicContact OD2-NH2 3.69Å; D215-R253 PolarHBondContact OD2-NH2 2.8Å; E237-R253 WeakPolarHBondContact O-CG 3.22Å; F238-R253 VanDerWaalsContact C-CD 3.45Å; F238-R253 WeakPolarHBondContact O-CD 3.35Å; Y239-R253 WeakPolarHBondContact O-CB 3.13Å; Y239-R253 WeakPolarHBondContact O-CG 3.24Å; Y239-R253 PolarHBondContact O-N 2.92Å; P241-R253 VanDerWaalsContact CD-O 3.24Å; P241-R253 WeakPolarHBondContact CD-O 3.3Å; R253-D255 IonicContact CZ-OD1 3.96Å; R253-D255 IonicContact CZ-OD2 3.51Å; R253-D255 IonicContact NE-OD1 2.72Å; R253-D255 PolarHBondContact NE-OD1 3.13Å; R253-D255 IonicContact NE-OD2 3.49Å; R253-D255 IonicContact NH2-OD1 3.83Å; R253-D255 IonicContact NH2-OD2 2.86Å; R253-D255 PolarHBondContact NH2-OD2 3.04Å; R253-R257 WeakPolarHBondContact CD-O 3.26Å | ||
| 254 | S | 91.3 | Very high | 94.4 | Very high | 79 Ų | 79 | 66 Ų | 66 | 55% | 0.552 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -108.7 | 1.2 | 178.4 | 59.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 255 | D | 93.2 | Very high | 94.8 | Very high | 64 Ų | 64 | 63.2 Ų | 63.2 | 34% | 0.342 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -103.4 | 12.8 | -173.8 | 62.6 | -4.7 | 0 | 0 | 0 | 113.6 | R253 R257 | R253-D255 IonicContact CZ-OD1 3.96Å; R253-D255 IonicContact CZ-OD2 3.51Å; R253-D255 IonicContact NE-OD1 2.72Å; R253-D255 PolarHBondContact NE-OD1 3.13Å; R253-D255 IonicContact NE-OD2 3.49Å; R253-D255 IonicContact NH2-OD1 3.83Å; R253-D255 IonicContact NH2-OD2 2.86Å; R253-D255 PolarHBondContact NH2-OD2 3.04Å; D255-R257 PolarHBondContact O-N 2.82Å; D255-R257 VanDerWaalsContact O-N 3.1Å; D255-R257 WeakPolarHBondContact OD1-CB 3.39Å; D255-R257 PolarHBondContact OD1-N 3.01Å; D255-R257 VanDerWaalsContact OD2-CD 3.28Å; D255-R257 WeakPolarHBondContact OD2-CD 3.48Å; D255-R257 IonicContact OD2-NH1 3.84Å |
| 256 | S | 90.9 | Very high | 95.3 | Very high | 118 Ų | 118 | 63.8 Ų | 63.8 | 83% | 0.825 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 60 | 14.7 | -178.7 | -52.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 257 | R | 95.2 | Very high | 95.8 | Very high | 76 Ų | 76 | 59.7 Ų | 59.7 | 29% | 0.287 | 31% | 0.31 | S | S | . | . | trans | -85.6 | 142.5 | 175.9 | -68.5 | 175.7 | 64.1 | -158.4 | 5.1 | 110.9 | R253 D255 L259 E262 | R253-R257 WeakPolarHBondContact CD-O 3.26Å; D255-R257 PolarHBondContact O-N 2.82Å; D255-R257 VanDerWaalsContact O-N 3.1Å; D255-R257 WeakPolarHBondContact OD1-CB 3.39Å; D255-R257 PolarHBondContact OD1-N 3.01Å; D255-R257 VanDerWaalsContact OD2-CD 3.28Å; D255-R257 WeakPolarHBondContact OD2-CD 3.48Å; D255-R257 IonicContact OD2-NH1 3.84Å; R257-L259 HydrophobicContact CB-CD2 3.93Å; R257-E262 WeakPolarHBondContact CB-OE1 3.12Å; R257-E262 IonicContact CZ-OE1 2.85Å; R257-E262 IonicContact CZ-OE2 3.77Å; R257-E262 IonicContact NE-OE1 3Å; R257-E262 PolarHBondContact NE-OE1 2.84Å; R257-E262 IonicContact NE-OE2 3.84Å; R257-E262 PolarHBondContact NE-OE2 2.99Å; R257-E262 IonicContact NH2-OE1 2.68Å; R257-E262 IonicContact NH2-OE2 3.2Å; R257-E262 PolarHBondContact NH2-OE2 3.45Å | ||
| 258 | N | 97.2 | Very high | 96.1 | Very high | 24 Ų | 24 | 61.9 Ų | 61.9 | 13% | 0.128 | 33% | 0.327 | C | S | . | . | trans | -113.7 | 94.3 | 167 | -171.7 | -40.7 | 0 | 0 | 0 | 108 | F238 D243 L260 N261 E262 | F238-N258 CarbonylContact O-C 3.57Å; D243-N258 PolarHBondContact OD1-ND2 3.16Å; N258-L260 PolarHBondContact O-N 2.85Å; N258-L260 WeakPolarHBondContact OD1-CB 3.3Å; N258-L260 PolarHBondContact OD1-N 2.89Å; N258-N261 HydrophobicContact CB-CB 4.43Å; N258-N261 PolarHBondContact O-N 3.13Å; N258-N261 PolarHBondContact OD1-N 3.36Å; N258-E262 PolarHBondContact O-N 2.76Å; N258-E262 VanDerWaalsContact O-N 3.09Å | ||
| 259 | L | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.7 | -18.8 | -175.2 | -57.4 | -170.6 | 0 | 0 | 0 | 112.9 | A217 A218 L221 F238 R257 W263 | A217-L259 HydrophobicContact CB-CD1 3.64Å; A218-L259 HydrophobicContact CB-CD1 4.34Å; L221-L259 HydrophobicContact CD1-CB 3.97Å; L221-L259 HydrophobicContact CD1-CD1 4.44Å; L221-L259 HydrophobicContact CD2-CB 4.03Å; L221-L259 HydrophobicContact CD2-CD2 4.12Å; F238-L259 HydrophobicContact CB-CB 4.09Å; F238-L259 HydrophobicContact CD1-CB 3.81Å; F238-L259 HydrophobicContact CD1-CD1 4.23Å; F238-L259 HydrophobicContact CG-CB 4.44Å; F238-L259 WeakPolarHBondContact O-CB 3.39Å; F238-L259 PolarHBondContact O-N 2.8Å; R257-L259 HydrophobicContact CB-CD2 3.93Å; L259-W263 VanDerWaalsContact O-CB 3.25Å; L259-W263 WeakPolarHBondContact O-CB 3.19Å; L259-W263 PolarHBondContact O-N 3.45Å |
| 260 | L | 97.6 | Very high | 96.6 | Very high | 7 Ų | 7 | 62.7 Ų | 62.7 | 4% | 0.037 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.4 | -47.1 | 173.8 | -56.9 | -178.9 | 0 | 0 | 0 | 110.1 | F238 Y239 N258 W263 Q264 L276 L295 L297 | F238-L260 HydrophobicContact CB-CD1 4.44Å; F238-L260 HydrophobicContact CB-CD2 3.48Å; F238-L260 VanDerWaalsContact CB-CD2 3.48Å; F238-L260 HydrophobicContact CB-CG 3.67Å; F238-L260 HydrophobicContact CD1-CD2 4.07Å; F238-L260 HydrophobicContact CD2-CD2 4.44Å; F238-L260 HydrophobicContact CG-CD2 3.75Å; F238-L260 HydrophobicContact CG-CG 4.47Å; Y239-L260 HydrophobicContact CD1-CD1 4.02Å; N258-L260 PolarHBondContact O-N 2.85Å; N258-L260 WeakPolarHBondContact OD1-CB 3.3Å; N258-L260 PolarHBondContact OD1-N 2.89Å; L260-W263 PolarHBondContact O-N 3.47Å; L260-Q264 WeakPolarHBondContact O-CG 3.32Å; L260-Q264 PolarHBondContact O-N 2.83Å; L260-Q264 VanDerWaalsContact O-N 3.11Å; L260-L276 HydrophobicContact CB-CD2 3.92Å; L260-L276 HydrophobicContact CD2-CD1 4.27Å; L260-L295 HydrophobicContact CD2-CD2 4.36Å; L260-L297 HydrophobicContact CD2-CD1 3.65Å |
| 261 | N | 97.1 | Very high | 96.7 | Very high | 81 Ų | 81 | 62 Ų | 62 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 174.4 | -65.3 | -15.7 | 0 | 0 | 0 | 110.9 | N258 W263 Q264 E265 | N258-N261 HydrophobicContact CB-CB 4.43Å; N258-N261 PolarHBondContact O-N 3.13Å; N258-N261 PolarHBondContact OD1-N 3.36Å; N261-W263 VanDerWaalsContact C-N 3.3Å; N261-W263 PolarHBondContact O-N 3.05Å; N261-Q264 PolarHBondContact O-N 2.88Å; N261-E265 WeakPolarHBondContact O-CG 3.34Å; N261-E265 PolarHBondContact O-N 2.83Å |
| 262 | E | 98.2 | Very high | 96.7 | Very high | 54 Ų | 54 | 63.6 Ų | 63.6 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60 | -39.8 | 177.9 | -69.2 | 179.2 | -144.2 | 0 | 0 | 112 | L221 R257 N258 E265 I266 | L221-E262 HydrophobicContact CD2-CB 3.54Å; R257-E262 WeakPolarHBondContact CB-OE1 3.12Å; R257-E262 IonicContact CZ-OE1 2.85Å; R257-E262 IonicContact CZ-OE2 3.77Å; R257-E262 IonicContact NE-OE1 3Å; R257-E262 PolarHBondContact NE-OE1 2.84Å; R257-E262 IonicContact NE-OE2 3.84Å; R257-E262 PolarHBondContact NE-OE2 2.99Å; R257-E262 IonicContact NH2-OE1 2.68Å; R257-E262 IonicContact NH2-OE2 3.2Å; R257-E262 PolarHBondContact NH2-OE2 3.45Å; N258-E262 PolarHBondContact O-N 2.76Å; N258-E262 VanDerWaalsContact O-N 3.09Å; E262-E265 PolarHBondContact O-N 2.91Å; E262-I266 VanDerWaalsContact O-CG1 3.27Å; E262-I266 WeakPolarHBondContact O-CG1 3.37Å; E262-I266 PolarHBondContact O-N 2.69Å |
| 263 | W | 98.3 | Very high | 96.8 | Very high | 6 Ų | 6 | 65.5 Ų | 65.5 | 2% | 0.023 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 175.9 | -179.4 | 89.6 | 0 | 0 | 0 | 111.2 | L221 L259 L260 N261 E265 I266 Q267 H274 V275 L276 L295 | L221-W263 HydrophobicContact CD1-CB 4.29Å; L221-W263 HydrophobicContact CD2-CB 4.42Å; L221-W263 HydrophobicContact CG-CB 4.1Å; L259-W263 VanDerWaalsContact O-CB 3.25Å; L259-W263 WeakPolarHBondContact O-CB 3.19Å; L259-W263 PolarHBondContact O-N 3.45Å; L260-W263 PolarHBondContact O-N 3.47Å; N261-W263 VanDerWaalsContact C-N 3.3Å; N261-W263 PolarHBondContact O-N 3.05Å; W263-E265 VanDerWaalsContact C-N 3.3Å; W263-E265 PolarHBondContact O-N 3.35Å; W263-I266 PolarHBondContact O-N 2.65Å; W263-Q267 HydrophobicContact CD2-CG 3.91Å; W263-Q267 HydrophobicContact CE3-CG 4.19Å; W263-Q267 HydrophobicContact CH2-CG 4.02Å; W263-Q267 HydrophobicContact CZ2-CG 3.71Å; W263-Q267 HydrophobicContact CZ3-CG 4.25Å; W263-Q267 WeakPolarHBondContact O-CG 3.37Å; W263-Q267 PolarHBondContact O-N 2.81Å; W263-H274 HydrophobicContact CH2-CB 3.98Å; W263-H274 HydrophobicContact CZ3-CB 4.41Å; W263-H274 AromaticContact CZ3-CD2 3.87Å; W263-V275 WeakPolarHBondContact CH2-O 3.01Å; W263-L276 HydrophobicContact CZ3-CB 4.14Å; W263-L295 HydrophobicContact CB-CD2 4.4Å; W263-L295 HydrophobicContact CD2-CB 4.1Å; W263-L295 HydrophobicContact CD2-CD2 3.77Å; W263-L295 HydrophobicContact CE3-CB 4.13Å; W263-L295 HydrophobicContact CE3-CD2 4.12Å; W263-L295 HydrophobicContact CG-CD2 3.88Å; W263-L295 HydrophobicContact CH2-CB 3.63Å; W263-L295 HydrophobicContact CZ2-CB 3.58Å; W263-L295 HydrophobicContact CZ3-CB 3.9Å |
| 264 | Q | 98.1 | Very high | 96.9 | Very high | 72 Ų | 72 | 67.8 Ų | 67.8 | 34% | 0.336 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 176.6 | -68.3 | -176.5 | -74.6 | 0 | 0 | 112 | L260 N261 Q267 T268 H274 L276 | L260-Q264 WeakPolarHBondContact O-CG 3.32Å; L260-Q264 PolarHBondContact O-N 2.83Å; L260-Q264 VanDerWaalsContact O-N 3.11Å; N261-Q264 PolarHBondContact O-N 2.88Å; Q264-Q267 PolarHBondContact O-N 2.79Å; Q264-T268 VanDerWaalsContact O-CB 3.31Å; Q264-T268 WeakPolarHBondContact O-CB 3.29Å; Q264-T268 PolarHBondContact O-N 3.04Å; Q264-T268 PolarHBondContact O-OG1 2.77Å; Q264-H274 PolarHBondContact O-NE2 2.75Å; Q264-L276 HydrophobicContact CG-CB 4.3Å; Q264-L276 HydrophobicContact CG-CD2 4.24Å |
| 265 | E | 98.3 | Very high | 97.3 | Very high | 103 Ų | 103 | 65.6 Ų | 65.6 | 48% | 0.481 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.4 | -43.6 | 175.2 | -74.6 | -175.2 | -158.9 | 0 | 0 | 112.5 | N261 E262 W263 T268 K269 | N261-E265 WeakPolarHBondContact O-CG 3.34Å; N261-E265 PolarHBondContact O-N 2.83Å; E262-E265 PolarHBondContact O-N 2.91Å; W263-E265 VanDerWaalsContact C-N 3.3Å; W263-E265 PolarHBondContact O-N 3.35Å; E265-T268 PolarHBondContact O-N 3.45Å; E265-K269 WeakPolarHBondContact O-CB 3.42Å; E265-K269 WeakPolarHBondContact O-CD 3.41Å; E265-K269 VanDerWaalsContact O-CG 3.23Å; E265-K269 WeakPolarHBondContact O-CG 3.45Å; E265-K269 PolarHBondContact O-N 2.83Å; E265-K269 IonicContact OE2-NZ 2.99Å; E265-K269 PolarHBondContact OE2-NZ 2.9Å |
| 266 | I | 98.2 | Very high | 97.5 | Very high | 46 Ų | 46 | 63.9 Ų | 63.9 | 24% | 0.236 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.7 | -49.9 | 177.1 | -71.4 | 165.1 | 0 | 0 | 0 | 109.9 | L221 E262 W263 T268 K269 M270 | L221-I266 HydrophobicContact CB-CD1 4.17Å; L221-I266 HydrophobicContact CD2-CD1 4.2Å; L221-I266 HydrophobicContact CG-CD1 4.34Å; E262-I266 VanDerWaalsContact O-CG1 3.27Å; E262-I266 WeakPolarHBondContact O-CG1 3.37Å; E262-I266 PolarHBondContact O-N 2.69Å; W263-I266 PolarHBondContact O-N 2.65Å; I266-T268 VanDerWaalsContact C-N 3.33Å; I266-T268 PolarHBondContact O-N 3.11Å; I266-K269 PolarHBondContact O-N 3.4Å; I266-M270 HydrophobicContact CG2-CE 3.86Å; I266-M270 HydrophobicContact CG2-SD 4.2Å; I266-M270 WeakPolarHBondContact O-CG 3.3Å; I266-M270 PolarHBondContact O-N 2.97Å |
| 267 | Q | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.4 | -39.2 | -179.7 | -62.3 | -58.9 | -24.9 | 0 | 0 | 112 | S225 W263 Q264 M270 N271 H272 H274 | S225-Q267 PolarHBondContact O-NE2 2.84Å; W263-Q267 HydrophobicContact CD2-CG 3.91Å; W263-Q267 HydrophobicContact CE3-CG 4.19Å; W263-Q267 HydrophobicContact CH2-CG 4.02Å; W263-Q267 HydrophobicContact CZ2-CG 3.71Å; W263-Q267 HydrophobicContact CZ3-CG 4.25Å; W263-Q267 WeakPolarHBondContact O-CG 3.37Å; W263-Q267 PolarHBondContact O-N 2.81Å; Q264-Q267 PolarHBondContact O-N 2.79Å; Q267-M270 PolarHBondContact O-N 2.88Å; Q267-N271 PolarHBondContact O-N 3.34Å; Q267-H272 HydrophobicContact CB-CB 4.42Å; Q267-H272 PolarHBondContact O-N 2.83Å; Q267-H272 PolarHBondContact OE1-ND1 2.95Å; Q267-H274 HydrophobicContact CB-CB 3.76Å; Q267-H274 WeakPolarHBondContact CB-ND1 3.49Å; Q267-H274 HydrophobicContact CG-CB 4.03Å |
| 268 | T | 98.3 | Very high | 98 | Very high | 90 Ų | 90 | 55.8 Ų | 55.8 | 55% | 0.552 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.6 | -45.5 | 174.4 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | Q264 E265 I266 M270 N271 H274 | Q264-T268 VanDerWaalsContact O-CB 3.31Å; Q264-T268 WeakPolarHBondContact O-CB 3.29Å; Q264-T268 PolarHBondContact O-N 3.04Å; Q264-T268 PolarHBondContact O-OG1 2.77Å; E265-T268 PolarHBondContact O-N 3.45Å; I266-T268 VanDerWaalsContact C-N 3.33Å; I266-T268 PolarHBondContact O-N 3.11Å; T268-M270 VanDerWaalsContact C-N 3.26Å; T268-M270 PolarHBondContact O-N 3.41Å; T268-N271 PolarHBondContact O-N 3.31Å; T268-H274 PolarHBondContact OG1-CE1 3.38Å |
| 269 | K | 98.2 | Very high | 98 | Very high | 161 Ų | 161 | 56.6 Ų | 56.6 | 70% | 0.7 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.8 | -31.4 | 177.8 | -74.8 | 165.3 | -173.8 | 156.7 | 0 | 112.4 | E265 I266 N271 | E265-K269 WeakPolarHBondContact O-CB 3.42Å; E265-K269 WeakPolarHBondContact O-CD 3.41Å; E265-K269 VanDerWaalsContact O-CG 3.23Å; E265-K269 WeakPolarHBondContact O-CG 3.45Å; E265-K269 PolarHBondContact O-N 2.83Å; E265-K269 IonicContact OE2-NZ 2.99Å; E265-K269 PolarHBondContact OE2-NZ 2.9Å; I266-K269 PolarHBondContact O-N 3.4Å; K269-N271 VanDerWaalsContact C-N 3.26Å; K269-N271 PolarHBondContact O-N 2.97Å |
| 270 | M | 97.2 | Very high | 98 | Very high | 72 Ų | 72 | 57 Ų | 57 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -0.2 | 174.3 | -66.1 | -178.7 | 178.3 | 0 | 0 | 113.7 | I266 Q267 T268 H272 | I266-M270 HydrophobicContact CG2-CE 3.86Å; I266-M270 HydrophobicContact CG2-SD 4.2Å; I266-M270 WeakPolarHBondContact O-CG 3.3Å; I266-M270 PolarHBondContact O-N 2.97Å; Q267-M270 PolarHBondContact O-N 2.88Å; T268-M270 VanDerWaalsContact C-N 3.26Å; T268-M270 PolarHBondContact O-N 3.41Å; M270-H272 PolarHBondContact O-CD2 2.78Å; M270-H272 PolarHBondContact O-N 2.78Å; M270-H272 VanDerWaalsContact SD-CE1 3.58Å |
| 271 | N | 97.7 | Very high | 98 | Very high | 149 Ų | 149 | 60.8 Ų | 60.8 | 80% | 0.797 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 32.4 | -175.2 | -165.7 | 52 | 0 | 0 | 0 | 113 | Q267 T268 K269 | Q267-N271 PolarHBondContact O-N 3.34Å; T268-N271 PolarHBondContact O-N 3.31Å; K269-N271 VanDerWaalsContact C-N 3.26Å; K269-N271 PolarHBondContact O-N 2.97Å |
| 272 | H | 98 | Very high | 98.1 | Very high | 40 Ų | 40 | 60 Ų | 60 | 19% | 0.185 | 30% | 0.297 | C | S | . | . | trans | -82.3 | 138.3 | 177 | -71.7 | 173.8 | 0 | 0 | 0 | 110.7 | H226 Q267 M270 H274 Y293 | H226-H272 AromaticContact ND1-CE1 3.89Å; Q267-H272 HydrophobicContact CB-CB 4.42Å; Q267-H272 PolarHBondContact O-N 2.83Å; Q267-H272 PolarHBondContact OE1-ND1 2.95Å; M270-H272 PolarHBondContact O-CD2 2.78Å; M270-H272 PolarHBondContact O-N 2.78Å; M270-H272 VanDerWaalsContact SD-CE1 3.58Å; H272-H274 PolarHBondContact O-N 3.25Å; H272-H274 PolarHBondContact O-ND1 2.97Å; H272-Y293 HydrophobicContact CB-CD2 3.52Å; H272-Y293 HydrophobicContact CB-CE2 3.81Å; H272-Y293 HydrophobicContact CB-CG 4.27Å; H272-Y293 AromaticContact CD2-CE2 3.71Å; H272-Y293 AromaticContact CE1-CE2 3.69Å; H272-Y293 AromaticContact CE1-CZ 3.47Å; H272-Y293 VanDerWaalsContact CE1-CZ 3.47Å; H272-Y293 AromaticContact CG-CD2 3.59Å; H272-Y293 AromaticContact CG-CE2 3.35Å; H272-Y293 AromaticContact CG-CZ 3.97Å; H272-Y293 AromaticContact ND1-CD2 3.63Å; H272-Y293 AromaticContact ND1-CE1 3.9Å; H272-Y293 AromaticContact ND1-CE2 3.34Å; H272-Y293 VanDerWaalsContact ND1-CE2 3.34Å; H272-Y293 WeakPolarHBondContact ND1-CE2 3.12Å; H272-Y293 AromaticContact ND1-CZ 3.49Å; H272-Y293 AromaticContact NE2-CE2 3.91Å; H272-Y293 AromaticContact NE2-CZ 3.93Å | ||
| 273 | K | 98.3 | Very high | 98.1 | Very high | 132 Ų | 132 | 58 Ų | 58 | 57% | 0.574 | 29% | 0.288 | S | S | * | . | trans | -75.5 | 103 | 167.7 | -63.8 | -178.8 | -174.5 | 174.4 | 0 | 108.4 | S290 D292 Y293 | K273-S290 WeakPolarHBondContact CD-O 3.32Å; K273-D292 PolarHBondContact O-N 2.94Å; K273-Y293 PolarHBondContact O-N 2.74Å | ||
| 274 | H | 98.6 | Very high | 98.1 | Very high | 49 Ų | 49 | 64 Ų | 64 | 23% | 0.227 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 157.2 | -170.4 | 65.4 | -80 | 0 | 0 | 0 | 112.7 | W263 Q264 Q267 T268 H272 Y293 | W263-H274 HydrophobicContact CH2-CB 3.98Å; W263-H274 HydrophobicContact CZ3-CB 4.41Å; W263-H274 AromaticContact CZ3-CD2 3.87Å; Q264-H274 PolarHBondContact O-NE2 2.75Å; Q267-H274 HydrophobicContact CB-CB 3.76Å; Q267-H274 WeakPolarHBondContact CB-ND1 3.49Å; Q267-H274 HydrophobicContact CG-CB 4.03Å; T268-H274 PolarHBondContact OG1-CE1 3.38Å; H272-H274 PolarHBondContact O-N 3.25Å; H272-H274 PolarHBondContact O-ND1 2.97Å; H274-Y293 CarbonylContact C-O 3.46Å; H274-Y293 WeakPolarHBondContact CA-O 3.43Å |
| 275 | V | 98.5 | Very high | 98.1 | Very high | 33 Ų | 33 | 67.2 Ų | 67.2 | 20% | 0.2 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 139.5 | 173.7 | 74.8 | 0 | 0 | 0 | 0 | 111 | W263 L277 V291 Y293 V294 L295 | W263-V275 WeakPolarHBondContact CH2-O 3.01Å; V275-L277 HydrophobicContact CB-CD2 4.5Å; V275-L277 HydrophobicContact CG1-CD1 4.12Å; V275-L277 HydrophobicContact CG1-CD2 4.19Å; V275-L277 HydrophobicContact CG1-CG 3.98Å; V275-L277 HydrophobicContact CG2-CD2 3.51Å; V275-L277 HydrophobicContact CG2-CG 4.08Å; V275-V291 HydrophobicContact CB-CG1 4.17Å; V275-V291 HydrophobicContact CB-CG2 4.47Å; V275-V291 HydrophobicContact CG1-CG1 3.79Å; V275-V291 HydrophobicContact CG1-CG2 4.44Å; V275-Y293 PolarHBondContact N-O 2.86Å; V275-V294 HydrophobicContact CG1-CB 4.33Å; V275-V294 HydrophobicContact CG1-CG1 4.05Å; V275-V294 HydrophobicContact CG1-CG2 4.05Å; V275-L295 PolarHBondContact O-N 2.88Å |
| 276 | L | 98.2 | Very high | 98.1 | Very high | 29 Ų | 29 | 63.4 Ų | 63.4 | 15% | 0.152 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.2 | 168.5 | 174.6 | 63.3 | 0 | 0 | 0 | 107.8 | L260 W263 Q264 L295 | L260-L276 HydrophobicContact CB-CD2 3.92Å; L260-L276 HydrophobicContact CD2-CD1 4.27Å; W263-L276 HydrophobicContact CZ3-CB 4.14Å; Q264-L276 HydrophobicContact CG-CB 4.3Å; Q264-L276 HydrophobicContact CG-CD2 4.24Å; L276-L295 CarbonylContact C-O 3.43Å; L276-L295 WeakPolarHBondContact CA-O 3.25Å; L276-L295 HydrophobicContact CD1-CB 4.09Å; L276-L295 HydrophobicContact CD1-CD2 3.94Å; L276-L295 HydrophobicContact CD1-CG 3.86Å; L276-L295 WeakPolarHBondContact CD1-O 3.41Å |
| 277 | L | 98.5 | Very high | 98.1 | Very high | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.5 | -175.5 | -53.5 | 170.9 | 0 | 0 | 0 | 110.7 | V275 E282 T286 W288 V294 L295 G296 L297 F298 | V275-L277 HydrophobicContact CB-CD2 4.5Å; V275-L277 HydrophobicContact CG1-CD1 4.12Å; V275-L277 HydrophobicContact CG1-CD2 4.19Å; V275-L277 HydrophobicContact CG1-CG 3.98Å; V275-L277 HydrophobicContact CG2-CD2 3.51Å; V275-L277 HydrophobicContact CG2-CG 4.08Å; L277-E282 HydrophobicContact CD2-CB 3.76Å; L277-T286 WeakPolarHBondContact CD2-OG1 3.45Å; L277-W288 HydrophobicContact CD1-CH2 3.74Å; L277-W288 HydrophobicContact CD1-CZ3 4.2Å; L277-V294 HydrophobicContact CD1-CG1 4.07Å; L277-L295 PolarHBondContact N-O 2.89Å; L277-G296 WeakPolarHBondContact O-CA 3.48Å; L277-L297 PolarHBondContact O-N 2.73Å; L277-F298 HydrophobicContact CB-CE1 3.82Å; L277-F298 HydrophobicContact CB-CZ 4.28Å; L277-F298 HydrophobicContact CD1-CZ 4.46Å |
| 278 | H | 97.9 | Very high | 98.1 | Very high | 19 Ų | 19 | 66.9 Ų | 66.9 | 9% | 0.088 | 33% | 0.33 | C | S | . | . | trans | -127.6 | -15.9 | 178.2 | -70.7 | -49.8 | 0 | 0 | 0 | 114.4 | T246 F247 E282 L297 | T246-H278 HydrophobicContact CG2-CB 4.23Å; F247-H278 HydrophobicContact CE2-CB 4Å; F247-H278 AromaticContact CE2-CG 3.93Å; F247-H278 AromaticContact CE2-ND1 3.57Å; F247-H278 HydrophobicContact CZ-CB 3.93Å; F247-H278 WeakPolarHBondContact CZ-O 3.47Å; H278-E282 WeakPolarHBondContact CA-OE2 3.4Å; H278-E282 PolarHBondContact N-OE2 3.02Å; H278-L297 WeakPolarHBondContact CA-O 3.41Å; H278-L297 PolarHBondContact ND1-O 2.91Å | ||
| 279 | T | 97.4 | Very high | 98.1 | Very high | 41 Ų | 41 | 66.5 Ų | 66.5 | 25% | 0.252 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -127 | 155.5 | -176.2 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | T246 N281 E282 F283 | T246-T279 HydrophobicContact CG2-CG2 3.77Å; T279-N281 PolarHBondContact O-N 3.48Å; T279-E282 PolarHBondContact N-OE2 2.89Å; T279-E282 PolarHBondContact O-N 3.4Å; T279-E282 VanDerWaalsContact OG1-CD 3.24Å; T279-E282 WeakPolarHBondContact OG1-CG 3.23Å; T279-E282 PolarHBondContact OG1-N 3.32Å; T279-E282 VanDerWaalsContact OG1-N 3.16Å; T279-E282 PolarHBondContact OG1-OE2 3.36Å; T279-F283 PolarHBondContact O-N 3.08Å |
| 280 | N | 97.6 | Very high | 98 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.9 | -26.6 | 174.4 | -173.6 | 35.4 | 0 | 0 | 0 | 112.7 | F283 K284 D311 | N280-F283 PolarHBondContact O-N 3.02Å; N280-K284 PolarHBondContact ND2-NZ 3.41Å; N280-K284 WeakPolarHBondContact O-CB 3.49Å; N280-K284 VanDerWaalsContact O-CG 3.3Å; N280-K284 WeakPolarHBondContact O-CG 3.44Å; N280-K284 PolarHBondContact O-N 3.47Å; N280-K284 WeakPolarHBondContact OD1-CE 3.33Å; N280-D311 WeakPolarHBondContact CB-O 3.46Å; N280-D311 WeakPolarHBondContact CB-OD1 3.34Å; N280-D311 PolarHBondContact ND2-OD1 3.41Å |
| 281 | N | 98.1 | Very high | 98 | Very high | 86 Ų | 86 | 58.6 Ų | 58.6 | 46% | 0.46 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.1 | -48.4 | 172.1 | 179.8 | 72.7 | 0 | 0 | 0 | 111.6 | T279 F283 K284 Q285 | T279-N281 PolarHBondContact O-N 3.48Å; N281-F283 VanDerWaalsContact C-N 3.28Å; N281-F283 PolarHBondContact O-N 2.88Å; N281-K284 PolarHBondContact O-N 2.88Å; N281-Q285 PolarHBondContact ND2-NE2 3.5Å; N281-Q285 PolarHBondContact ND2-OE1 3.02Å; N281-Q285 VanDerWaalsContact ND2-OE1 3.08Å; N281-Q285 WeakPolarHBondContact O-CB 3.41Å; N281-Q285 VanDerWaalsContact O-CG 3.29Å; N281-Q285 WeakPolarHBondContact O-CG 3.48Å; N281-Q285 PolarHBondContact O-N 3.28Å; N281-Q285 PolarHBondContact OD1-NE2 2.73Å |
| 282 | E | 98.2 | Very high | 98.1 | Very high | 66 Ų | 66 | 54.2 Ų | 54.2 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.4 | -42.5 | 174.7 | -67.2 | 160.2 | 156.4 | 0 | 0 | 110.9 | L277 H278 T279 K284 Q285 T286 | L277-E282 HydrophobicContact CD2-CB 3.76Å; H278-E282 WeakPolarHBondContact CA-OE2 3.4Å; H278-E282 PolarHBondContact N-OE2 3.02Å; T279-E282 PolarHBondContact N-OE2 2.89Å; T279-E282 PolarHBondContact O-N 3.4Å; T279-E282 VanDerWaalsContact OG1-CD 3.24Å; T279-E282 WeakPolarHBondContact OG1-CG 3.23Å; T279-E282 PolarHBondContact OG1-N 3.32Å; T279-E282 VanDerWaalsContact OG1-N 3.16Å; T279-E282 PolarHBondContact OG1-OE2 3.36Å; E282-K284 PolarHBondContact O-N 3.29Å; E282-Q285 PolarHBondContact O-N 2.95Å; E282-T286 PolarHBondContact O-N 2.77Å; E282-T286 VanDerWaalsContact O-N 3.11Å; E282-T286 PolarHBondContact O-OG1 3.5Å |
| 283 | F | 98.7 | Very high | 98.1 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.2 | -50.9 | 175.2 | -179.3 | -90.6 | 0 | 0 | 0 | 112.3 | M231 T279 N280 N281 Q285 T286 W288 F298 P313 E317 M318 A321 | M231-F283 HydrophobicContact SD-CD2 4.41Å; M231-F283 HydrophobicContact SD-CE2 3.86Å; T279-F283 PolarHBondContact O-N 3.08Å; N280-F283 PolarHBondContact O-N 3.02Å; N281-F283 VanDerWaalsContact C-N 3.28Å; N281-F283 PolarHBondContact O-N 2.88Å; F283-Q285 VanDerWaalsContact C-N 3.31Å; F283-Q285 PolarHBondContact O-N 3.48Å; F283-T286 PolarHBondContact O-N 2.81Å; F283-W288 HydrophobicContact CD1-CZ2 4.42Å; F283-W288 AromaticContact CD2-CH2 3.7Å; F283-W288 HydrophobicContact CD2-CH2 3.7Å; F283-W288 AromaticContact CD2-CZ2 3.65Å; F283-W288 HydrophobicContact CD2-CZ2 3.65Å; F283-W288 HydrophobicContact CE1-CZ2 4.29Å; F283-W288 AromaticContact CE2-CH2 3.73Å; F283-W288 HydrophobicContact CE2-CH2 3.73Å; F283-W288 AromaticContact CE2-CZ2 3.52Å; F283-W288 HydrophobicContact CE2-CZ2 3.52Å; F283-W288 HydrophobicContact CG-CH2 4.47Å; F283-W288 HydrophobicContact CG-CZ2 4.11Å; F283-W288 HydrophobicContact CZ-CH2 4.49Å; F283-W288 AromaticContact CZ-CZ2 3.86Å; F283-W288 HydrophobicContact CZ-CZ2 3.86Å; F283-W288 WeakPolarHBondContact O-CZ2 3.27Å; F283-F298 HydrophobicContact CB-CE1 3.98Å; F283-F298 HydrophobicContact CB-CZ 4.39Å; F283-F298 HydrophobicContact CD2-CE1 4.04Å; F283-F298 HydrophobicContact CD2-CE2 4.36Å; F283-F298 AromaticContact CD2-CZ 3.57Å; F283-F298 HydrophobicContact CD2-CZ 3.57Å; F283-F298 HydrophobicContact CE2-CZ 4.31Å; F283-F298 HydrophobicContact CG-CE1 4.4Å; F283-F298 HydrophobicContact CG-CZ 4.35Å; F283-P313 HydrophobicContact CD1-CB 3.91Å; F283-P313 HydrophobicContact CD2-CB 4.26Å; F283-P313 HydrophobicContact CD2-CG 4.27Å; F283-P313 HydrophobicContact CE1-CB 3.99Å; F283-P313 HydrophobicContact CE2-CB 4.31Å; F283-P313 HydrophobicContact CG-CB 4.06Å; F283-P313 HydrophobicContact CG-CG 4.27Å; F283-P313 HydrophobicContact CZ-CB 4.19Å; F283-E317 HydrophobicContact CE1-CB 3.91Å; F283-E317 HydrophobicContact CZ-CB 4.09Å; F283-E317 WeakPolarHBondContact CZ-O 3.47Å; F283-M318 HydrophobicContact CE2-CG 4.37Å; F283-A321 HydrophobicContact CE2-CB 3.74Å; F283-A321 HydrophobicContact CZ-CB 3.64Å |
| 284 | K | 98.3 | Very high | 98.1 | Very high | 132 Ų | 132 | 47.7 Ų | 47.7 | 57% | 0.574 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -67.3 | -29.7 | -179.1 | -75 | 170.5 | 177.8 | 167.3 | 0 | 113.6 | N280 N281 E282 | N280-K284 PolarHBondContact ND2-NZ 3.41Å; N280-K284 WeakPolarHBondContact O-CB 3.49Å; N280-K284 VanDerWaalsContact O-CG 3.3Å; N280-K284 WeakPolarHBondContact O-CG 3.44Å; N280-K284 PolarHBondContact O-N 3.47Å; N280-K284 WeakPolarHBondContact OD1-CE 3.33Å; N281-K284 PolarHBondContact O-N 2.88Å; E282-K284 PolarHBondContact O-N 3.29Å |
| 285 | Q | 98 | Very high | 98.1 | Very high | 140 Ų | 140 | 45.4 Ų | 45.4 | 65% | 0.654 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -84.8 | -11.7 | -179.7 | -70.6 | 178.9 | -18.2 | 0 | 0 | 113.3 | N281 E282 F283 D287 | N281-Q285 PolarHBondContact ND2-NE2 3.5Å; N281-Q285 PolarHBondContact ND2-OE1 3.02Å; N281-Q285 VanDerWaalsContact ND2-OE1 3.08Å; N281-Q285 WeakPolarHBondContact O-CB 3.41Å; N281-Q285 VanDerWaalsContact O-CG 3.29Å; N281-Q285 WeakPolarHBondContact O-CG 3.48Å; N281-Q285 PolarHBondContact O-N 3.28Å; N281-Q285 PolarHBondContact OD1-NE2 2.73Å; E282-Q285 PolarHBondContact O-N 2.95Å; F283-Q285 VanDerWaalsContact C-N 3.31Å; F283-Q285 PolarHBondContact O-N 3.48Å; Q285-D287 PolarHBondContact O-N 2.82Å |
| 286 | T | 98.6 | Very high | 98.1 | Very high | 22 Ų | 22 | 43.8 Ų | 43.8 | 14% | 0.135 | 23% | 0.229 | C | C | . | . | trans | -71.9 | 122.7 | -177.4 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | L277 E282 F283 W288 V291 | L277-T286 WeakPolarHBondContact CD2-OG1 3.45Å; E282-T286 PolarHBondContact O-N 2.77Å; E282-T286 VanDerWaalsContact O-N 3.11Å; E282-T286 PolarHBondContact O-OG1 3.5Å; F283-T286 PolarHBondContact O-N 2.81Å; T286-W288 HydrophobicContact CG2-CD2 4Å; T286-W288 HydrophobicContact CG2-CE3 3.63Å; T286-W288 HydrophobicContact CG2-CH2 3.91Å; T286-W288 HydrophobicContact CG2-CZ2 4.25Å; T286-W288 HydrophobicContact CG2-CZ3 3.58Å; T286-W288 PolarHBondContact O-N 3.38Å; T286-V291 HydrophobicContact CG2-CG2 4.3Å | ||
| 287 | D | 98.1 | Very high | 98.2 | Very high | 91 Ų | 91 | 42.4 Ų | 42.4 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | trans | -78.6 | 95.5 | 167.1 | 176.1 | 10.9 | 0 | 0 | 0 | 109.9 | Q285 S289 S290 | Q285-D287 PolarHBondContact O-N 2.82Å; D287-S289 VanDerWaalsContact CG-OG 3.24Å; D287-S289 PolarHBondContact O-N 3.35Å; D287-S289 WeakPolarHBondContact OD1-CB 3.47Å; D287-S289 PolarHBondContact OD1-N 2.99Å; D287-S289 PolarHBondContact OD1-OG 3.22Å; D287-S289 PolarHBondContact OD2-OG 3.11Å; D287-S289 VanDerWaalsContact OD2-OG 3.12Å; D287-S290 PolarHBondContact O-N 2.89Å; D287-S290 PolarHBondContact O-OG 3.2Å | ||
| 288 | W | 98.2 | Very high | 98.2 | Very high | 28 Ų | 28 | 42.5 Ų | 42.5 | 11% | 0.106 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -57.4 | -21.3 | -179.6 | -55.7 | 111.4 | 0 | 0 | 0 | 113.9 | L277 F283 T286 S290 V294 A321 K324 V325 R328 | L277-W288 HydrophobicContact CD1-CH2 3.74Å; L277-W288 HydrophobicContact CD1-CZ3 4.2Å; F283-W288 HydrophobicContact CD1-CZ2 4.42Å; F283-W288 AromaticContact CD2-CH2 3.7Å; F283-W288 HydrophobicContact CD2-CH2 3.7Å; F283-W288 AromaticContact CD2-CZ2 3.65Å; F283-W288 HydrophobicContact CD2-CZ2 3.65Å; F283-W288 HydrophobicContact CE1-CZ2 4.29Å; F283-W288 AromaticContact CE2-CH2 3.73Å; F283-W288 HydrophobicContact CE2-CH2 3.73Å; F283-W288 AromaticContact CE2-CZ2 3.52Å; F283-W288 HydrophobicContact CE2-CZ2 3.52Å; F283-W288 HydrophobicContact CG-CH2 4.47Å; F283-W288 HydrophobicContact CG-CZ2 4.11Å; F283-W288 HydrophobicContact CZ-CH2 4.49Å; F283-W288 AromaticContact CZ-CZ2 3.86Å; F283-W288 HydrophobicContact CZ-CZ2 3.86Å; F283-W288 WeakPolarHBondContact O-CZ2 3.27Å; T286-W288 HydrophobicContact CG2-CD2 4Å; T286-W288 HydrophobicContact CG2-CE3 3.63Å; T286-W288 HydrophobicContact CG2-CH2 3.91Å; T286-W288 HydrophobicContact CG2-CZ2 4.25Å; T286-W288 HydrophobicContact CG2-CZ3 3.58Å; T286-W288 PolarHBondContact O-N 3.38Å; W288-S290 PolarHBondContact O-N 2.94Å; W288-V294 HydrophobicContact CE3-CG2 4.37Å; W288-V294 HydrophobicContact CZ3-CG1 4.12Å; W288-V294 HydrophobicContact CZ3-CG2 3.97Å; W288-A321 HydrophobicContact CD2-CB 3.9Å; W288-A321 HydrophobicContact CE3-CB 4.24Å; W288-A321 HydrophobicContact CH2-CB 3.93Å; W288-A321 HydrophobicContact CZ2-CB 3.56Å; W288-A321 HydrophobicContact CZ3-CB 4.25Å; W288-K324 HydrophobicContact CB-CB 4.04Å; W288-K324 HydrophobicContact CG-CB 4.5Å; W288-K324 HydrophobicContact CG-CD 4.45Å; W288-V325 HydrophobicContact CB-CG2 4.32Å; W288-V325 HydrophobicContact CE3-CG2 3.99Å; W288-R328 PolarHBondContact O-NH1 2.88Å |
| 289 | S | 96.9 | Very high | 98.2 | Very high | 83 Ų | 83 | 41.7 Ų | 41.7 | 58% | 0.58 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -73.6 | -16.1 | 177.5 | 77.4 | 0 | 0 | 0 | 0 | 113.5 | D287 | D287-S289 VanDerWaalsContact CG-OG 3.24Å; D287-S289 PolarHBondContact O-N 3.35Å; D287-S289 WeakPolarHBondContact OD1-CB 3.47Å; D287-S289 PolarHBondContact OD1-N 2.99Å; D287-S289 PolarHBondContact OD1-OG 3.22Å; D287-S289 PolarHBondContact OD2-OG 3.11Å; D287-S289 VanDerWaalsContact OD2-OG 3.12Å |
| 290 | S | 96.5 | Very high | 98.2 | Very high | 54 Ų | 54 | 41.5 Ų | 41.5 | 38% | 0.378 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -103.7 | -5.2 | -174.2 | 73.1 | 0 | 0 | 0 | 0 | 114.5 | K273 D287 W288 | K273-S290 WeakPolarHBondContact CD-O 3.32Å; D287-S290 PolarHBondContact O-N 2.89Å; D287-S290 PolarHBondContact O-OG 3.2Å; W288-S290 PolarHBondContact O-N 2.94Å |
| 291 | V | 98.3 | Very high | 98.2 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | trans | -123.5 | 132.9 | -173.3 | -178.5 | 0 | 0 | 0 | 0 | 111 | V275 T286 Y293 V294 R328 | V275-V291 HydrophobicContact CB-CG1 4.17Å; V275-V291 HydrophobicContact CB-CG2 4.47Å; V275-V291 HydrophobicContact CG1-CG1 3.79Å; V275-V291 HydrophobicContact CG1-CG2 4.44Å; T286-V291 HydrophobicContact CG2-CG2 4.3Å; V291-Y293 WeakPolarHBondContact CG1-O 3.36Å; V291-V294 HydrophobicContact CG1-CG2 3.81Å; V291-R328 PolarHBondContact O-NH2 2.77Å | ||
| 292 | D | 98.3 | Very high | 98.2 | Very high | 57 Ų | 57 | 41.5 Ų | 41.5 | 31% | 0.305 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -105.8 | -21.8 | -178.8 | -58.7 | -45.6 | 0 | 0 | 0 | 113.1 | N228 K273 R328 | N228-D292 WeakPolarHBondContact CB-O 3.46Å; N228-D292 PolarHBondContact ND2-O 3.23Å; K273-D292 PolarHBondContact O-N 2.94Å; D292-R328 IonicContact OD1-CZ 2.79Å; D292-R328 IonicContact OD1-NH2 2.73Å; D292-R328 PolarHBondContact OD1-NH2 3.47Å |
| 293 | Y | 98.7 | Very high | 98.2 | Very high | 32 Ų | 32 | 38.6 Ų | 38.6 | 13% | 0.125 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 121.8 | -179 | -65.6 | -91.1 | 0 | 0 | 0 | 111.9 | N228 H272 K273 H274 V275 V291 | N228-Y293 CarbonylContact O-C 3.46Å; N228-Y293 WeakPolarHBondContact O-CA 3.48Å; H272-Y293 HydrophobicContact CB-CD2 3.52Å; H272-Y293 HydrophobicContact CB-CE2 3.81Å; H272-Y293 HydrophobicContact CB-CG 4.27Å; H272-Y293 AromaticContact CD2-CE2 3.71Å; H272-Y293 AromaticContact CE1-CE2 3.69Å; H272-Y293 AromaticContact CE1-CZ 3.47Å; H272-Y293 VanDerWaalsContact CE1-CZ 3.47Å; H272-Y293 AromaticContact CG-CD2 3.59Å; H272-Y293 AromaticContact CG-CE2 3.35Å; H272-Y293 AromaticContact CG-CZ 3.97Å; H272-Y293 AromaticContact ND1-CD2 3.63Å; H272-Y293 AromaticContact ND1-CE1 3.9Å; H272-Y293 AromaticContact ND1-CE2 3.34Å; H272-Y293 VanDerWaalsContact ND1-CE2 3.34Å; H272-Y293 WeakPolarHBondContact ND1-CE2 3.12Å; H272-Y293 AromaticContact ND1-CZ 3.49Å; H272-Y293 AromaticContact NE2-CE2 3.91Å; H272-Y293 AromaticContact NE2-CZ 3.93Å; K273-Y293 PolarHBondContact O-N 2.74Å; H274-Y293 CarbonylContact C-O 3.46Å; H274-Y293 WeakPolarHBondContact CA-O 3.43Å; V275-Y293 PolarHBondContact N-O 2.86Å; V291-Y293 WeakPolarHBondContact CG1-O 3.36Å |
| 294 | V | 98.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 125.3 | -174.8 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | N228 V229 I230 M231 V275 L277 W288 V291 V325 | N228-V294 PolarHBondContact O-N 2.68Å; V229-V294 HydrophobicContact CG1-CB 4.43Å; V229-V294 HydrophobicContact CG2-CB 4.47Å; V229-V294 HydrophobicContact CG2-CG2 4.45Å; I230-V294 PolarHBondContact N-O 2.88Å; M231-V294 HydrophobicContact CG-CG1 4.19Å; M231-V294 HydrophobicContact SD-CG1 4.2Å; V275-V294 HydrophobicContact CG1-CB 4.33Å; V275-V294 HydrophobicContact CG1-CG1 4.05Å; V275-V294 HydrophobicContact CG1-CG2 4.05Å; L277-V294 HydrophobicContact CD1-CG1 4.07Å; W288-V294 HydrophobicContact CE3-CG2 4.37Å; W288-V294 HydrophobicContact CZ3-CG1 4.12Å; W288-V294 HydrophobicContact CZ3-CG2 3.97Å; V291-V294 HydrophobicContact CG1-CG2 3.81Å; V294-V325 HydrophobicContact CG2-CG2 4.28Å |
| 295 | L | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 104.6 | 161.8 | -179.7 | 58 | 0 | 0 | 0 | 108.3 | I230 L260 W263 V275 L276 L277 L297 | I230-L295 HydrophobicContact CB-CD1 4.05Å; I230-L295 HydrophobicContact CG2-CD1 4.09Å; I230-L295 CarbonylContact O-C 3.51Å; I230-L295 WeakPolarHBondContact O-CA 3.27Å; L260-L295 HydrophobicContact CD2-CD2 4.36Å; W263-L295 HydrophobicContact CB-CD2 4.4Å; W263-L295 HydrophobicContact CD2-CB 4.1Å; W263-L295 HydrophobicContact CD2-CD2 3.77Å; W263-L295 HydrophobicContact CE3-CB 4.13Å; W263-L295 HydrophobicContact CE3-CD2 4.12Å; W263-L295 HydrophobicContact CG-CD2 3.88Å; W263-L295 HydrophobicContact CH2-CB 3.63Å; W263-L295 HydrophobicContact CZ2-CB 3.58Å; W263-L295 HydrophobicContact CZ3-CB 3.9Å; V275-L295 PolarHBondContact O-N 2.88Å; L276-L295 CarbonylContact C-O 3.43Å; L276-L295 WeakPolarHBondContact CA-O 3.25Å; L276-L295 HydrophobicContact CD1-CB 4.09Å; L276-L295 HydrophobicContact CD1-CD2 3.94Å; L276-L295 HydrophobicContact CD1-CG 3.86Å; L276-L295 WeakPolarHBondContact CD1-O 3.41Å; L277-L295 PolarHBondContact N-O 2.89Å; L295-L297 HydrophobicContact CD1-CD1 4.37Å; L295-L297 HydrophobicContact CD1-CD2 3.96Å; L295-L297 HydrophobicContact CD1-CG 4.06Å; L295-L297 HydrophobicContact CD2-CD1 4.49Å; L295-L297 HydrophobicContact CG-CD1 4.36Å; L295-L297 HydrophobicContact CG-CG 4.2Å |
| 296 | G | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 111 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | I230 M231 G232 L277 | I230-G296 PolarHBondContact O-N 3.37Å; M231-G296 CarbonylContact C-O 3.6Å; M231-G296 VanDerWaalsContact CA-O 3.27Å; M231-G296 WeakPolarHBondContact CA-O 3.3Å; G232-G296 PolarHBondContact N-O 3.45Å; L277-G296 WeakPolarHBondContact O-CA 3.48Å |
| 297 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 91.3 | 178.5 | -56.2 | 178.1 | 0 | 0 | 0 | 108.6 | V183 G232 A235 F238 F247 L260 L277 H278 L295 A299 | V183-L297 HydrophobicContact CB-CD2 4.35Å; V183-L297 HydrophobicContact CG1-CD2 3.81Å; V183-L297 HydrophobicContact CG2-CD2 3.57Å; G232-L297 CarbonylContact O-C 3.49Å; G232-L297 VanDerWaalsContact O-CA 3.3Å; G232-L297 WeakPolarHBondContact O-CA 3.46Å; A235-L297 HydrophobicContact CB-CB 3.92Å; A235-L297 HydrophobicContact CB-CD1 4.36Å; F238-L297 HydrophobicContact CD2-CD1 3.73Å; F238-L297 HydrophobicContact CE2-CD1 3.86Å; F238-L297 HydrophobicContact CG-CD1 4.24Å; F238-L297 HydrophobicContact CZ-CD1 4.46Å; F247-L297 WeakPolarHBondContact CE2-O 3.41Å; F247-L297 WeakPolarHBondContact CZ-O 3.45Å; L260-L297 HydrophobicContact CD2-CD1 3.65Å; L277-L297 PolarHBondContact O-N 2.73Å; H278-L297 WeakPolarHBondContact CA-O 3.41Å; H278-L297 PolarHBondContact ND1-O 2.91Å; L295-L297 HydrophobicContact CD1-CD1 4.37Å; L295-L297 HydrophobicContact CD1-CD2 3.96Å; L295-L297 HydrophobicContact CD1-CG 4.06Å; L295-L297 HydrophobicContact CD2-CD1 4.49Å; L295-L297 HydrophobicContact CG-CD1 4.36Å; L295-L297 HydrophobicContact CG-CG 4.2Å; L297-A299 PolarHBondContact O-N 3.03Å |
| 298 | F | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 2% | 0.022 | 18% | 0.184 | C | C | . | . | trans | -89.8 | 4.5 | -167.4 | -52.8 | -68.2 | 0 | 0 | 0 | 114.6 | M231 G232 L277 F283 Q312 P313 M318 | M231-F298 HydrophobicContact CB-CE2 4.1Å; M231-F298 HydrophobicContact CG-CE2 4.17Å; M231-F298 HydrophobicContact CG-CZ 4.49Å; M231-F298 HydrophobicContact SD-CE2 4.28Å; M231-F298 HydrophobicContact SD-CZ 4.31Å; G232-F298 PolarHBondContact O-N 3.11Å; L277-F298 HydrophobicContact CB-CE1 3.82Å; L277-F298 HydrophobicContact CB-CZ 4.28Å; L277-F298 HydrophobicContact CD1-CZ 4.46Å; F283-F298 HydrophobicContact CB-CE1 3.98Å; F283-F298 HydrophobicContact CB-CZ 4.39Å; F283-F298 HydrophobicContact CD2-CE1 4.04Å; F283-F298 HydrophobicContact CD2-CE2 4.36Å; F283-F298 AromaticContact CD2-CZ 3.57Å; F283-F298 HydrophobicContact CD2-CZ 3.57Å; F283-F298 HydrophobicContact CE2-CZ 4.31Å; F283-F298 HydrophobicContact CG-CE1 4.4Å; F283-F298 HydrophobicContact CG-CZ 4.35Å; F298-Q312 PolarHBondContact O-NE2 3.12Å; F298-P313 HydrophobicContact CB-CG 4.26Å; F298-P313 HydrophobicContact CD1-CG 3.85Å; F298-P313 HydrophobicContact CD2-CG 3.42Å; F298-P313 VanDerWaalsContact CD2-CG 3.42Å; F298-P313 HydrophobicContact CE1-CG 4.04Å; F298-P313 HydrophobicContact CE2-CG 3.62Å; F298-P313 HydrophobicContact CG-CG 3.55Å; F298-P313 HydrophobicContact CZ-CG 3.94Å; F298-M318 HydrophobicContact CD2-SD 3.77Å; F298-M318 HydrophobicContact CE2-CG 4.18Å; F298-M318 HydrophobicContact CE2-SD 3.7Å | ||
| 299 | A | 98.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 2% | 0.017 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -152.2 | 150.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | G234 A235 L297 N301 H302 | G234-A299 PolarHBondContact N-O 3.04Å; A235-A299 PolarHBondContact N-O 3.09Å; L297-A299 PolarHBondContact O-N 3.03Å; A299-N301 WeakPolarHBondContact CB-O 3.22Å; A299-N301 PolarHBondContact O-N 3.45Å; A299-H302 WeakPolarHBondContact CB-O 3.41Å |
| 300 | P | 97.4 | Very high | 97.6 | Very high | 37 Ų | 37 | 37.8 Ų | 37.8 | 24% | 0.24 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -64.7 | -28.9 | 173.4 | 26.8 | -33.6 | 0 | 0 | 0 | 112 | G234 A235 A236 F247 V249 | G234-P300 CarbonylContact C-O 3.54Å; G234-P300 WeakPolarHBondContact CA-O 3.48Å; A235-P300 PolarHBondContact N-O 3.18Å; A236-P300 HydrophobicContact CB-CB 4.26Å; A236-P300 WeakPolarHBondContact CB-O 3.04Å; A236-P300 PolarHBondContact N-O 3.5Å; A236-P300 VanDerWaalsContact N-O 3.1Å; F247-P300 HydrophobicContact CB-CB 4.39Å; F247-P300 HydrophobicContact CG-CB 4.37Å; V249-P300 HydrophobicContact CB-CB 4.14Å; V249-P300 HydrophobicContact CG1-CB 4.13Å; V249-P300 HydrophobicContact CG2-CB 4.33Å; V249-P300 HydrophobicContact CG2-CG 4.25Å |
| 301 | N | 98 | Very high | 97.5 | Very high | 67 Ų | 67 | 40 Ų | 40 | 36% | 0.358 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -122.9 | -146.8 | 176.2 | -163 | -23.7 | 0 | 0 | 0 | 108.8 | R182 G233 G234 A299 | R182-N301 WeakPolarHBondContact CD-OD1 3.35Å; R182-N301 WeakPolarHBondContact CG-OD1 3.49Å; R182-N301 PolarHBondContact NH1-OD1 3.23Å; G233-N301 CarbonylContact C-O 3.59Å; G233-N301 WeakPolarHBondContact CA-O 3.39Å; G234-N301 PolarHBondContact N-O 2.91Å; A299-N301 WeakPolarHBondContact CB-O 3.22Å; A299-N301 PolarHBondContact O-N 3.45Å |
| 302 | H | 98.7 | Very high | 97.5 | Very high | 29 Ų | 29 | 41.3 Ų | 41.3 | 13% | 0.134 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -57.8 | 158.1 | 170 | -50.6 | -61.5 | 0 | 0 | 0 | 111.4 | T181 R182 H185 A299 R341 H344 | T181-H302 WeakPolarHBondContact CA-ND1 3.46Å; R182-H302 PolarHBondContact N-ND1 2.97Å; R182-H302 PolarHBondContact NH1-CE1 3.03Å; R182-H302 PolarHBondContact NH1-NE2 3.43Å; H185-H302 AromaticContact CD2-CE1 3.96Å; A299-H302 WeakPolarHBondContact CB-O 3.41Å; H302-R341 PolarHBondContact CD2-NH1 3.2Å; H302-R341 VanDerWaalsContact CD2-NH1 3.28Å; H302-H344 AromaticContact CD2-CE1 3.88Å; H302-H344 AromaticContact CD2-NE2 3.9Å; H302-H344 AromaticContact CE1-CE1 3.58Å; H302-H344 AromaticContact CE1-NE2 3.67Å; H302-H344 AromaticContact ND1-CE1 3.91Å; H302-H344 AromaticContact NE2-CE1 3.58Å; H302-H344 AromaticContact NE2-NE2 3.34Å; H302-H344 PolarHBondContact NE2-NE2 2.85Å |
| 303 | L | 98.7 | Very high | 97.5 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -62.3 | 151 | 166.4 | -77.7 | 84 | 0 | 0 | 0 | 109.5 | T180 G233 Q312 P313 M318 | T180-L303 WeakPolarHBondContact O-CB 3.28Å; T180-L303 PolarHBondContact O-N 3.06Å; G233-L303 VanDerWaalsContact N-CD1 3.26Å; L303-Q312 HydrophobicContact CD2-CB 4.18Å; L303-P313 WeakPolarHBondContact CD2-O 3.36Å; L303-M318 HydrophobicContact CD2-CE 3.78Å; L303-M318 HydrophobicContact CD2-SD 4.4Å |
| 304 | A | 98.4 | Very high | 97.5 | Very high | 33 Ų | 33 | 38.1 Ų | 38.1 | 27% | 0.273 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -63.1 | 149.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | E308 N309 | A304-E308 HydrophobicContact CB-CB 4.5Å; A304-N309 HydrophobicContact CB-CB 4.05Å |
| 305 | Y | 98.7 | Very high | 97.5 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 6% | 0.055 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -55.6 | 146.8 | 167.1 | -67.7 | -68.7 | 0 | 0 | 0 | 109.8 | L307 E308 N309 R341 H344 G345 Y353 E357 | Y305-L307 PolarHBondContact O-N 3.1Å; Y305-L307 VanDerWaalsContact O-N 3.14Å; Y305-E308 CarbonylContact O-C 3.57Å; Y305-E308 WeakPolarHBondContact O-CA 3.4Å; Y305-E308 PolarHBondContact O-N 3.27Å; Y305-N309 WeakPolarHBondContact O-CB 3.29Å; Y305-N309 PolarHBondContact O-N 3.28Å; Y305-R341 HydrophobicContact CD1-CB 3.82Å; Y305-R341 HydrophobicContact CD1-CG 4.37Å; Y305-R341 HydrophobicContact CE1-CB 3.8Å; Y305-R341 HydrophobicContact CE1-CG 4.5Å; Y305-R341 WeakPolarHBondContact CE1-O 3.17Å; Y305-R341 PolarHBondContact OH-NH2 3.13Å; Y305-H344 HydrophobicContact CE1-CB 4.36Å; Y305-H344 VanDerWaalsContact OH-CB 3.25Å; Y305-H344 WeakPolarHBondContact OH-CB 3.37Å; Y305-H344 PolarHBondContact OH-O 3.34Å; Y305-G345 PolarHBondContact OH-N 2.97Å; Y305-Y353 AromaticContact CD1-CD1 3.99Å; Y305-Y353 HydrophobicContact CD1-CD1 3.99Å; Y305-Y353 AromaticContact CD1-CG 3.99Å; Y305-Y353 HydrophobicContact CD1-CG 3.99Å; Y305-Y353 AromaticContact CD2-CD1 3.8Å; Y305-Y353 HydrophobicContact CD2-CD1 3.8Å; Y305-Y353 HydrophobicContact CD2-CD2 4.03Å; Y305-Y353 AromaticContact CD2-CE1 3.89Å; Y305-Y353 HydrophobicContact CD2-CE1 3.89Å; Y305-Y353 HydrophobicContact CD2-CE2 4.12Å; Y305-Y353 AromaticContact CD2-CG 3.92Å; Y305-Y353 HydrophobicContact CD2-CG 3.92Å; Y305-Y353 HydrophobicContact CE1-CG 4.11Å; Y305-Y353 HydrophobicContact CE2-CD1 4.37Å; Y305-Y353 AromaticContact CE2-CD2 3.82Å; Y305-Y353 HydrophobicContact CE2-CD2 3.82Å; Y305-Y353 HydrophobicContact CE2-CE2 4.1Å; Y305-Y353 HydrophobicContact CE2-CG 4.01Å; Y305-Y353 AromaticContact CG-CD1 3.57Å; Y305-Y353 HydrophobicContact CG-CD1 3.57Å; Y305-Y353 HydrophobicContact CG-CD2 4.46Å; Y305-Y353 AromaticContact CG-CE1 3.98Å; Y305-Y353 HydrophobicContact CG-CE1 3.98Å; Y305-Y353 AromaticContact CG-CG 3.89Å; Y305-Y353 HydrophobicContact CG-CG 3.89Å; Y305-E357 VanDerWaalsContact CA-OE1 3.25Å; Y305-E357 WeakPolarHBondContact CA-OE1 3.19Å; Y305-E357 HydrophobicContact CD1-CG 3.8Å; Y305-E357 HydrophobicContact CE1-CG 4.34Å |
| 306 | R | 97.6 | Very high | 97.5 | Very high | 96 Ų | 96 | 38.8 Ų | 38.8 | 36% | 0.362 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -35.9 | 178.7 | 175 | 65.1 | -125.4 | 168.8 | -1.1 | 113.7 | E308 T356 E357 E360 | R306-E308 PolarHBondContact O-N 2.88Å; R306-T356 HydrophobicContact CB-CG2 4.37Å; R306-T356 HydrophobicContact CG-CG2 4.39Å; R306-E357 WeakPolarHBondContact CB-OE1 3.38Å; R306-E357 PolarHBondContact N-OE1 2.79Å; R306-E360 HydrophobicContact CB-CG 3.6Å; R306-E360 VanDerWaalsContact CD-OE2 3.32Å; R306-E360 WeakPolarHBondContact CD-OE2 3.44Å; R306-E360 HydrophobicContact CG-CG 3.63Å; R306-E360 WeakPolarHBondContact CG-OE1 3.15Å |
| 307 | L | 97.2 | Very high | 97.5 | Very high | 65 Ų | 65 | 42 Ų | 42 | 34% | 0.34 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.7 | 177.5 | -65.1 | 177 | 0 | 0 | 0 | 112.7 | Y305 Q352 Y353 T356 | Y305-L307 PolarHBondContact O-N 3.1Å; Y305-L307 VanDerWaalsContact O-N 3.14Å; L307-Q352 HydrophobicContact CD1-CG 3.84Å; L307-Y353 HydrophobicContact CB-CD1 4.37Å; L307-Y353 HydrophobicContact CB-CE1 4.01Å; L307-Y353 HydrophobicContact CD1-CD1 3.88Å; L307-Y353 HydrophobicContact CD1-CE1 4.02Å; L307-Y353 HydrophobicContact CG-CD1 4.47Å; L307-T356 HydrophobicContact CD1-CG2 4.48Å; L307-T356 HydrophobicContact CD2-CG2 3.95Å; L307-T356 HydrophobicContact CG-CG2 3.96Å |
| 308 | E | 97.2 | Very high | 97.5 | Very high | 94 Ų | 94 | 42 Ų | 42 | 44% | 0.439 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | -23.7 | -179 | -61.9 | 178.6 | 179.6 | 0 | 0 | 112.7 | A304 Y305 R306 Q310 Y353 | A304-E308 HydrophobicContact CB-CB 4.5Å; Y305-E308 CarbonylContact O-C 3.57Å; Y305-E308 WeakPolarHBondContact O-CA 3.4Å; Y305-E308 PolarHBondContact O-N 3.27Å; R306-E308 PolarHBondContact O-N 2.88Å; E308-Q310 WeakPolarHBondContact O-CG 3.26Å; E308-Q310 PolarHBondContact O-N 3.34Å; E308-Q310 PolarHBondContact O-NE2 3.22Å; E308-Y353 HydrophobicContact CG-CE1 4.29Å; E308-Y353 VanDerWaalsContact OE1-CZ 3.24Å; E308-Y353 PolarHBondContact OE1-OH 3.06Å |
| 309 | N | 94.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 41.8 Ų | 41.8 | 8% | 0.075 | 21% | 0.211 | C | C | . | . | trans | -64.3 | 115.8 | -174.2 | -179.5 | 10.3 | 0 | 0 | 0 | 111.7 | A304 Y305 D311 Q312 | A304-N309 HydrophobicContact CB-CB 4.05Å; Y305-N309 WeakPolarHBondContact O-CB 3.29Å; Y305-N309 PolarHBondContact O-N 3.28Å; N309-D311 PolarHBondContact OD1-N 3.41Å; N309-Q312 PolarHBondContact ND2-O 2.91Å; N309-Q312 WeakPolarHBondContact OD1-CB 3.11Å; N309-Q312 PolarHBondContact OD1-N 3.35Å; N309-Q312 PolarHBondContact OD1-O 3.04Å | ||
| 310 | Q | 90.1 | Very high | 97.6 | Very high | 173 Ų | 173 | 43.6 Ų | 43.6 | 81% | 0.808 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -101 | -35.3 | 177.6 | -58.4 | -55.7 | -49.8 | 0 | 0 | 113.6 | E308 | E308-Q310 WeakPolarHBondContact O-CG 3.26Å; E308-Q310 PolarHBondContact O-N 3.34Å; E308-Q310 PolarHBondContact O-NE2 3.22Å |
| 311 | D | 94.1 | Very high | 97.6 | Very high | 102 Ų | 102 | 42 Ų | 42 | 55% | 0.545 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -149.3 | 32.3 | -168 | -165.7 | 34.1 | 0 | 0 | 0 | 114.2 | N280 N309 | N280-D311 WeakPolarHBondContact CB-O 3.46Å; N280-D311 WeakPolarHBondContact CB-OD1 3.34Å; N280-D311 PolarHBondContact ND2-OD1 3.41Å; N309-D311 PolarHBondContact OD1-N 3.41Å |
| 312 | Q | 98.2 | Very high | 97.7 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 18% | 0.182 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -114.4 | 144.5 | 169.2 | -59.3 | 168.6 | -11.1 | 0 | 0 | 109.1 | F298 L303 N309 T314 | F298-Q312 PolarHBondContact O-NE2 3.12Å; L303-Q312 HydrophobicContact CD2-CB 4.18Å; N309-Q312 PolarHBondContact ND2-O 2.91Å; N309-Q312 WeakPolarHBondContact OD1-CB 3.11Å; N309-Q312 PolarHBondContact OD1-N 3.35Å; N309-Q312 PolarHBondContact OD1-O 3.04Å; Q312-T314 PolarHBondContact O-N 3.23Å |
| 313 | P | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -60.3 | 141.1 | 175.7 | 27.5 | -34.6 | 0 | 0 | 0 | 110.3 | F283 F298 L303 E317 M318 | F283-P313 HydrophobicContact CD1-CB 3.91Å; F283-P313 HydrophobicContact CD2-CB 4.26Å; F283-P313 HydrophobicContact CD2-CG 4.27Å; F283-P313 HydrophobicContact CE1-CB 3.99Å; F283-P313 HydrophobicContact CE2-CB 4.31Å; F283-P313 HydrophobicContact CG-CB 4.06Å; F283-P313 HydrophobicContact CG-CG 4.27Å; F283-P313 HydrophobicContact CZ-CB 4.19Å; F298-P313 HydrophobicContact CB-CG 4.26Å; F298-P313 HydrophobicContact CD1-CG 3.85Å; F298-P313 HydrophobicContact CD2-CG 3.42Å; F298-P313 VanDerWaalsContact CD2-CG 3.42Å; F298-P313 HydrophobicContact CE1-CG 4.04Å; F298-P313 HydrophobicContact CE2-CG 3.62Å; F298-P313 HydrophobicContact CG-CG 3.55Å; F298-P313 HydrophobicContact CZ-CG 3.94Å; L303-P313 WeakPolarHBondContact CD2-O 3.36Å; P313-E317 HydrophobicContact CB-CB 4.37Å; P313-M318 HydrophobicContact CB-CG 3.98Å; P313-M318 HydrophobicContact CG-CG 3.96Å; P313-M318 HydrophobicContact CG-SD 4.25Å | ||
| 314 | T | 98.6 | Very high | 97.7 | Very high | 22 Ų | 22 | 41.2 Ų | 41.2 | 14% | 0.135 | 20% | 0.202 | C | C | . | . | trans | -70.6 | 161.6 | 176.5 | 58.1 | 0 | 0 | 0 | 0 | 111.5 | Q312 A316 E317 M318 | Q312-T314 PolarHBondContact O-N 3.23Å; T314-A316 PolarHBondContact O-N 3Å; T314-E317 WeakPolarHBondContact CB-OE2 3.23Å; T314-E317 WeakPolarHBondContact CG2-OE2 3.41Å; T314-E317 PolarHBondContact N-OE2 3.47Å; T314-E317 PolarHBondContact O-N 2.8Å; T314-E317 WeakPolarHBondContact OG1-CB 3.24Å; T314-E317 VanDerWaalsContact OG1-CG 3.23Å; T314-E317 WeakPolarHBondContact OG1-CG 3.06Å; T314-E317 PolarHBondContact OG1-N 2.9Å; T314-E317 VanDerWaalsContact OG1-N 3.12Å; T314-E317 PolarHBondContact OG1-OE2 3.19Å; T314-M318 WeakPolarHBondContact O-CG 3.33Å; T314-M318 PolarHBondContact O-N 2.86Å | ||
| 315 | L | 98.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.9 | -37.7 | 172.8 | -174 | 57.7 | 0 | 0 | 0 | 111.6 | V178 T180 M318 T319 V337 L361 A364 | V178-L315 HydrophobicContact CG1-CD1 3.73Å; T180-L315 HydrophobicContact CG2-CB 3.99Å; T180-L315 HydrophobicContact CG2-CD1 4.05Å; T180-L315 HydrophobicContact CG2-CD2 4.22Å; T180-L315 HydrophobicContact CG2-CG 4.31Å; L315-M318 HydrophobicContact CD1-CE 4.36Å; L315-T319 VanDerWaalsContact O-CB 3.29Å; L315-T319 WeakPolarHBondContact O-CB 3.44Å; L315-T319 PolarHBondContact O-N 3.23Å; L315-T319 PolarHBondContact O-OG1 3.27Å; L315-V337 HydrophobicContact CD1-CG1 3.62Å; L315-V337 HydrophobicContact CD2-CG1 4.31Å; L315-V337 HydrophobicContact CG-CG1 4Å; L315-L361 HydrophobicContact CD2-CD1 3.95Å; L315-A364 HydrophobicContact CB-CB 4.39Å; L315-A364 HydrophobicContact CD2-CB 4.12Å; L315-A364 HydrophobicContact CG-CB 3.79Å |
| 316 | A | 98.8 | Very high | 97.7 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.3 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T314 T319 E320 K363 A364 K367 | T314-A316 PolarHBondContact O-N 3Å; A316-T319 PolarHBondContact O-N 3.41Å; A316-E320 WeakPolarHBondContact O-CB 3.37Å; A316-E320 PolarHBondContact O-N 3.4Å; A316-K363 HydrophobicContact CB-CB 4.08Å; A316-A364 HydrophobicContact CB-CB 4.49Å; A316-K367 HydrophobicContact CB-CB 4.29Å |
| 317 | E | 98.8 | Very high | 97.8 | Very high | 67 Ų | 67 | 37.4 Ų | 37.4 | 31% | 0.313 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.6 | -46 | 175.7 | -76.1 | 165.4 | 136.8 | 0 | 0 | 111.6 | F283 P313 T314 T319 E320 A321 | F283-E317 HydrophobicContact CE1-CB 3.91Å; F283-E317 HydrophobicContact CZ-CB 4.09Å; F283-E317 WeakPolarHBondContact CZ-O 3.47Å; P313-E317 HydrophobicContact CB-CB 4.37Å; T314-E317 WeakPolarHBondContact CB-OE2 3.23Å; T314-E317 WeakPolarHBondContact CG2-OE2 3.41Å; T314-E317 PolarHBondContact N-OE2 3.47Å; T314-E317 PolarHBondContact O-N 2.8Å; T314-E317 WeakPolarHBondContact OG1-CB 3.24Å; T314-E317 VanDerWaalsContact OG1-CG 3.23Å; T314-E317 WeakPolarHBondContact OG1-CG 3.06Å; T314-E317 PolarHBondContact OG1-N 2.9Å; T314-E317 VanDerWaalsContact OG1-N 3.12Å; T314-E317 PolarHBondContact OG1-OE2 3.19Å; E317-T319 VanDerWaalsContact C-N 3.32Å; E317-T319 PolarHBondContact O-N 3.34Å; E317-E320 WeakPolarHBondContact O-CB 3.48Å; E317-E320 PolarHBondContact O-N 3.46Å; E317-A321 PolarHBondContact O-N 2.89Å |
| 318 | M | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.1 | -41 | 175.2 | -69.4 | -168.5 | -67.9 | 0 | 0 | 111.5 | V178 M231 F283 F298 L303 P313 T314 L315 E320 A321 A322 | V178-M318 HydrophobicContact CG1-CB 3.53Å; V178-M318 HydrophobicContact CG1-CE 4.21Å; V178-M318 HydrophobicContact CG1-SD 4.46Å; M231-M318 HydrophobicContact CB-CG 4.4Å; M231-M318 HydrophobicContact CB-SD 3.89Å; M231-M318 HydrophobicContact CE-CB 3.93Å; M231-M318 HydrophobicContact CE-CG 4.49Å; M231-M318 WeakPolarHBondContact CE-O 3.36Å; M231-M318 HydrophobicContact SD-CG 4.46Å; F283-M318 HydrophobicContact CE2-CG 4.37Å; F298-M318 HydrophobicContact CD2-SD 3.77Å; F298-M318 HydrophobicContact CE2-CG 4.18Å; F298-M318 HydrophobicContact CE2-SD 3.7Å; L303-M318 HydrophobicContact CD2-CE 3.78Å; L303-M318 HydrophobicContact CD2-SD 4.4Å; P313-M318 HydrophobicContact CB-CG 3.98Å; P313-M318 HydrophobicContact CG-CG 3.96Å; P313-M318 HydrophobicContact CG-SD 4.25Å; T314-M318 WeakPolarHBondContact O-CG 3.33Å; T314-M318 PolarHBondContact O-N 2.86Å; L315-M318 HydrophobicContact CD1-CE 4.36Å; M318-E320 PolarHBondContact O-N 3.17Å; M318-A321 PolarHBondContact O-N 3.37Å; M318-A322 WeakPolarHBondContact O-CB 3.14Å; M318-A322 PolarHBondContact O-N 3.36Å |
| 319 | T | 99 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 175 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | F70 L315 A316 E317 A322 I323 V337 A368 | F70-T319 HydrophobicContact CE1-CG2 4.29Å; F70-T319 HydrophobicContact CZ-CG2 4.47Å; L315-T319 VanDerWaalsContact O-CB 3.29Å; L315-T319 WeakPolarHBondContact O-CB 3.44Å; L315-T319 PolarHBondContact O-N 3.23Å; L315-T319 PolarHBondContact O-OG1 3.27Å; A316-T319 PolarHBondContact O-N 3.41Å; E317-T319 VanDerWaalsContact C-N 3.32Å; E317-T319 PolarHBondContact O-N 3.34Å; T319-A322 PolarHBondContact O-N 3.11Å; T319-I323 HydrophobicContact CG2-CD1 3.91Å; T319-I323 WeakPolarHBondContact O-CG1 3.47Å; T319-I323 PolarHBondContact O-N 3.21Å; T319-V337 HydrophobicContact CG2-CG2 4.2Å; T319-V337 WeakPolarHBondContact OG1-CG1 3.44Å; T319-A368 HydrophobicContact CG2-CB 4.14Å |
| 320 | E | 98.9 | Very high | 98 | Very high | 41 Ų | 41 | 40.3 Ų | 40.3 | 19% | 0.192 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -48.7 | 175.5 | 172.3 | 167.3 | 176.8 | 0 | 0 | 112 | A316 E317 M318 A322 I323 K324 K367 L371 | A316-E320 WeakPolarHBondContact O-CB 3.37Å; A316-E320 PolarHBondContact O-N 3.4Å; E317-E320 WeakPolarHBondContact O-CB 3.48Å; E317-E320 PolarHBondContact O-N 3.46Å; M318-E320 PolarHBondContact O-N 3.17Å; E320-A322 VanDerWaalsContact C-N 3.34Å; E320-A322 PolarHBondContact O-N 2.52Å; E320-I323 PolarHBondContact O-N 2.96Å; E320-K324 HydrophobicContact CG-CD 4.17Å; E320-K324 WeakPolarHBondContact O-CG 3.47Å; E320-K324 PolarHBondContact O-N 3.38Å; E320-K324 WeakPolarHBondContact OE1-CE 3.35Å; E320-K324 IonicContact OE1-NZ 3.99Å; E320-K324 PolarHBondContact OE1-NZ 2.78Å; E320-K367 HydrophobicContact CB-CD 3.96Å; E320-K367 HydrophobicContact CB-CG 3.79Å; E320-K367 HydrophobicContact CG-CD 4.3Å; E320-K367 WeakPolarHBondContact OE2-CD 3.47Å; E320-K367 WeakPolarHBondContact OE2-CE 3.42Å; E320-K367 IonicContact OE2-NZ 2.9Å; E320-K367 PolarHBondContact OE2-NZ 2.93Å; E320-L371 HydrophobicContact CB-CD1 3.95Å; E320-L371 HydrophobicContact CG-CD1 3.82Å |
| 321 | A | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61 | -43.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M231 F283 W288 E317 M318 K324 V325 | M231-A321 HydrophobicContact CE-CB 4.03Å; M231-A321 HydrophobicContact SD-CB 4.49Å; F283-A321 HydrophobicContact CE2-CB 3.74Å; F283-A321 HydrophobicContact CZ-CB 3.64Å; W288-A321 HydrophobicContact CD2-CB 3.9Å; W288-A321 HydrophobicContact CE3-CB 4.24Å; W288-A321 HydrophobicContact CH2-CB 3.93Å; W288-A321 HydrophobicContact CZ2-CB 3.56Å; W288-A321 HydrophobicContact CZ3-CB 4.25Å; E317-A321 PolarHBondContact O-N 2.89Å; M318-A321 PolarHBondContact O-N 3.37Å; A321-K324 PolarHBondContact O-N 2.92Å; A321-V325 WeakPolarHBondContact O-CG2 3.15Å; A321-V325 PolarHBondContact O-N 3.12Å; A321-V325 VanDerWaalsContact O-N 3.12Å |
| 322 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.5 | -51.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V178 V229 M231 M318 T319 E320 K324 V325 L326 L335 | V178-A322 HydrophobicContact CG2-CB 3.73Å; V229-A322 HydrophobicContact CB-CB 4.41Å; V229-A322 HydrophobicContact CG1-CB 3.85Å; M231-A322 HydrophobicContact CE-CB 4.05Å; M318-A322 WeakPolarHBondContact O-CB 3.14Å; M318-A322 PolarHBondContact O-N 3.36Å; T319-A322 PolarHBondContact O-N 3.11Å; E320-A322 VanDerWaalsContact C-N 3.34Å; E320-A322 PolarHBondContact O-N 2.52Å; A322-K324 VanDerWaalsContact C-N 3.31Å; A322-K324 PolarHBondContact O-N 3.45Å; A322-V325 PolarHBondContact O-N 3.18Å; A322-V325 VanDerWaalsContact O-N 3.1Å; A322-L326 HydrophobicContact CB-CD1 4.41Å; A322-L326 WeakPolarHBondContact O-CB 3.29Å; A322-L326 WeakPolarHBondContact O-CG 3.22Å; A322-L326 PolarHBondContact O-N 3.32Å; A322-L335 HydrophobicContact CB-CD1 3.92Å; A322-L335 HydrophobicContact CB-CD2 4.08Å |
| 323 | I | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.5 | -39.9 | 179.5 | -66.9 | 167.7 | 0 | 0 | 0 | 111.4 | I68 T319 E320 V325 L326 S327 L335 A368 L371 V372 | I68-I323 HydrophobicContact CD1-CD1 3.97Å; I68-I323 HydrophobicContact CD1-CG1 4.3Å; T319-I323 HydrophobicContact CG2-CD1 3.91Å; T319-I323 WeakPolarHBondContact O-CG1 3.47Å; T319-I323 PolarHBondContact O-N 3.21Å; E320-I323 PolarHBondContact O-N 2.96Å; I323-V325 VanDerWaalsContact C-N 3.28Å; I323-V325 PolarHBondContact O-N 3.5Å; I323-L326 PolarHBondContact O-N 3.5Å; I323-S327 WeakPolarHBondContact O-CB 3.33Å; I323-S327 PolarHBondContact O-N 3.18Å; I323-S327 PolarHBondContact O-OG 2.99Å; I323-L335 HydrophobicContact CD1-CD2 4.47Å; I323-L335 HydrophobicContact CG1-CD2 3.81Å; I323-A368 HydrophobicContact CD1-CB 3.62Å; I323-L371 HydrophobicContact CB-CD1 4.33Å; I323-L371 HydrophobicContact CD1-CB 4.49Å; I323-L371 HydrophobicContact CD1-CD1 4.29Å; I323-L371 HydrophobicContact CG2-CB 3.91Å; I323-L371 HydrophobicContact CG2-CD1 4.36Å; I323-V372 HydrophobicContact CD1-CG1 4.23Å; I323-V372 HydrophobicContact CG2-CG1 4.04Å |
| 324 | K | 98.8 | Very high | 98.6 | Very high | 82 Ų | 82 | 30.6 Ų | 30.6 | 36% | 0.357 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.5 | -33.2 | 176.5 | -75.5 | 176.1 | -178.7 | 172.7 | 0 | 113.5 | W288 E320 A321 A322 R328 | W288-K324 HydrophobicContact CB-CB 4.04Å; W288-K324 HydrophobicContact CG-CB 4.5Å; W288-K324 HydrophobicContact CG-CD 4.45Å; E320-K324 HydrophobicContact CG-CD 4.17Å; E320-K324 WeakPolarHBondContact O-CG 3.47Å; E320-K324 PolarHBondContact O-N 3.38Å; E320-K324 WeakPolarHBondContact OE1-CE 3.35Å; E320-K324 IonicContact OE1-NZ 3.99Å; E320-K324 PolarHBondContact OE1-NZ 2.78Å; A321-K324 PolarHBondContact O-N 2.92Å; A322-K324 VanDerWaalsContact C-N 3.31Å; A322-K324 PolarHBondContact O-N 3.45Å; K324-R328 PolarHBondContact O-NH1 3.4Å; K324-R328 VanDerWaalsContact O-NH1 3.07Å |
| 325 | V | 98.9 | Very high | 98.6 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.03 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -77.1 | -53 | 174.6 | 176.5 | 0 | 0 | 0 | 0 | 110.8 | V229 W288 V294 A321 A322 I323 | V229-V325 HydrophobicContact CG2-CB 3.7Å; V229-V325 HydrophobicContact CG2-CG1 3.67Å; V229-V325 HydrophobicContact CG2-CG2 4.23Å; W288-V325 HydrophobicContact CB-CG2 4.32Å; W288-V325 HydrophobicContact CE3-CG2 3.99Å; V294-V325 HydrophobicContact CG2-CG2 4.28Å; A321-V325 WeakPolarHBondContact O-CG2 3.15Å; A321-V325 PolarHBondContact O-N 3.12Å; A321-V325 VanDerWaalsContact O-N 3.12Å; A322-V325 PolarHBondContact O-N 3.18Å; A322-V325 VanDerWaalsContact O-N 3.1Å; I323-V325 VanDerWaalsContact C-N 3.28Å; I323-V325 PolarHBondContact O-N 3.5Å |
| 326 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.5 | -36.1 | -169.3 | -59.2 | 176.5 | 0 | 0 | 0 | 113.7 | T175 N228 V229 A322 I323 R328 N329 F333 L335 | T175-L326 VanDerWaalsContact O-CD2 3.3Å; T175-L326 WeakPolarHBondContact O-CD2 3.12Å; N228-L326 HydrophobicContact CB-CD2 3.55Å; V229-L326 HydrophobicContact CB-CD2 4.47Å; V229-L326 HydrophobicContact CG2-CD2 3.97Å; V229-L326 HydrophobicContact CG2-CG 4.21Å; A322-L326 HydrophobicContact CB-CD1 4.41Å; A322-L326 WeakPolarHBondContact O-CB 3.29Å; A322-L326 WeakPolarHBondContact O-CG 3.22Å; A322-L326 PolarHBondContact O-N 3.32Å; I323-L326 PolarHBondContact O-N 3.5Å; L326-R328 PolarHBondContact O-N 3.43Å; L326-R328 VanDerWaalsContact O-N 3.14Å; L326-N329 PolarHBondContact O-N 3.2Å; L326-F333 HydrophobicContact CB-CB 3.71Å; L326-F333 HydrophobicContact CB-CD1 4.22Å; L326-F333 HydrophobicContact CB-CD2 4.04Å; L326-F333 HydrophobicContact CB-CG 3.74Å; L326-F333 HydrophobicContact CD1-CB 4.49Å; L326-F333 HydrophobicContact CD1-CD2 4.04Å; L326-F333 HydrophobicContact CD1-CG 4.49Å; L326-L335 HydrophobicContact CD1-CB 3.96Å; L326-L335 HydrophobicContact CD1-CD1 3.93Å; L326-L335 HydrophobicContact CD1-CD2 4.39Å; L326-L335 HydrophobicContact CD1-CG 4.3Å |
| 327 | S | 98.4 | Very high | 98.6 | Very high | 58 Ų | 58 | 28.9 Ų | 28.9 | 41% | 0.406 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -14.7 | -175.9 | 60 | 0 | 0 | 0 | 0 | 114.2 | I323 N329 | I323-S327 WeakPolarHBondContact O-CB 3.33Å; I323-S327 PolarHBondContact O-N 3.18Å; I323-S327 PolarHBondContact O-OG 2.99Å; S327-N329 PolarHBondContact O-N 3.41Å |
| 328 | R | 97.9 | Very high | 98.6 | Very high | 91 Ų | 91 | 25.7 Ų | 25.7 | 34% | 0.343 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -18.8 | 175.5 | -62.9 | -162.4 | -56.4 | -90.5 | 6.7 | 113.3 | W288 V291 D292 K324 L326 P330 | W288-R328 PolarHBondContact O-NH1 2.88Å; V291-R328 PolarHBondContact O-NH2 2.77Å; D292-R328 IonicContact OD1-CZ 2.79Å; D292-R328 IonicContact OD1-NH2 2.73Å; D292-R328 PolarHBondContact OD1-NH2 3.47Å; K324-R328 PolarHBondContact O-NH1 3.4Å; K324-R328 VanDerWaalsContact O-NH1 3.07Å; L326-R328 PolarHBondContact O-N 3.43Å; L326-R328 VanDerWaalsContact O-N 3.14Å; R328-P330 WeakPolarHBondContact O-CD 3.46Å |
| 329 | N | 98.1 | Very high | 98.6 | Very high | 33 Ų | 33 | 25.8 Ų | 25.8 | 18% | 0.176 | 13% | 0.132 | C | C | . | . | trans | -74.9 | 116.4 | 177.8 | -172.4 | -21.3 | 0 | 0 | 0 | 110.2 | G172 S174 L326 S327 K331 G332 | G172-N329 PolarHBondContact O-ND2 2.95Å; S174-N329 PolarHBondContact N-ND2 2.96Å; S174-N329 VanDerWaalsContact OG-CB 3.27Å; S174-N329 WeakPolarHBondContact OG-CB 3.46Å; S174-N329 PolarHBondContact OG-ND2 3.46Å; S174-N329 VanDerWaalsContact OG-ND2 3.12Å; L326-N329 PolarHBondContact O-N 3.2Å; S327-N329 PolarHBondContact O-N 3.41Å; N329-K331 PolarHBondContact O-N 3.32Å; N329-K331 VanDerWaalsContact O-N 3.16Å; N329-K331 VanDerWaalsContact OD1-CB 3.3Å; N329-K331 WeakPolarHBondContact OD1-CB 3.39Å; N329-K331 PolarHBondContact OD1-N 2.97Å; N329-G332 PolarHBondContact O-N 3.23Å | ||
| 330 | P | 97.5 | Very high | 98.6 | Very high | 111 Ų | 111 | 25.8 Ų | 25.8 | 72% | 0.721 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.2 | -178.5 | 26.7 | -35.3 | 0 | 0 | 0 | 113.1 | K65 R328 G332 | K65-P330 WeakPolarHBondContact CE-O 3.28Å; K65-P330 PolarHBondContact NZ-O 2.81Å; K65-P330 VanDerWaalsContact NZ-O 3.15Å; R328-P330 WeakPolarHBondContact O-CD 3.46Å; P330-G332 VanDerWaalsContact C-N 3.29Å |
| 331 | K | 97.2 | Very high | 98.6 | Very high | 104 Ų | 104 | 25.3 Ų | 25.3 | 45% | 0.452 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -25 | 174.3 | -168.2 | 164.3 | -174.6 | 162.2 | 0 | 112.8 | A171 F173 N329 | A171-K331 WeakPolarHBondContact O-CE 2.92Å; A171-K331 PolarHBondContact O-NZ 2.92Å; F173-K331 HydrophobicContact CD1-CG 4.21Å; F173-K331 HydrophobicContact CD2-CD 4.05Å; F173-K331 HydrophobicContact CD2-CG 4.11Å; F173-K331 HydrophobicContact CE1-CG 4.02Å; F173-K331 WeakPolarHBondContact CE1-O 3.38Å; F173-K331 HydrophobicContact CE2-CD 4.02Å; F173-K331 HydrophobicContact CE2-CG 3.95Å; F173-K331 HydrophobicContact CG-CG 4.24Å; F173-K331 HydrophobicContact CZ-CD 4.45Å; F173-K331 HydrophobicContact CZ-CG 3.89Å; N329-K331 PolarHBondContact O-N 3.32Å; N329-K331 VanDerWaalsContact O-N 3.16Å; N329-K331 VanDerWaalsContact OD1-CB 3.3Å; N329-K331 WeakPolarHBondContact OD1-CB 3.39Å; N329-K331 PolarHBondContact OD1-N 2.97Å |
| 332 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | 108.2 | -170.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K65 N66 S174 N329 P330 | K65-G332 WeakPolarHBondContact O-CA 3.32Å; N66-G332 WeakPolarHBondContact OD1-CA 3.25Å; S174-G332 PolarHBondContact N-O 2.92Å; S174-G332 VanDerWaalsContact N-O 3.14Å; N329-G332 PolarHBondContact O-N 3.23Å; P330-G332 VanDerWaalsContact C-N 3.29Å | ||
| 333 | F | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 160.1 | -177.7 | 66.7 | -89.4 | 0 | 0 | 0 | 115 | N66 V67 I68 S174 L326 L335 V372 | N66-F333 CarbonylContact C-O 3.55Å; N66-F333 VanDerWaalsContact CA-O 3.26Å; N66-F333 WeakPolarHBondContact CA-O 3.28Å; N66-F333 HydrophobicContact CB-CD1 3.87Å; N66-F333 HydrophobicContact CB-CD2 4.42Å; N66-F333 HydrophobicContact CB-CE1 3.63Å; N66-F333 HydrophobicContact CB-CE2 4.23Å; N66-F333 HydrophobicContact CB-CG 4.25Å; N66-F333 HydrophobicContact CB-CZ 3.83Å; N66-F333 VanDerWaalsContact CG-CD1 3.48Å; N66-F333 WeakPolarHBondContact OD1-CD1 3.31Å; N66-F333 WeakPolarHBondContact OD1-CE1 3.35Å; N66-F333 PolarHBondContact OD1-N 2.78Å; N66-F333 VanDerWaalsContact OD1-N 3.15Å; V67-F333 PolarHBondContact N-O 3.27Å; I68-F333 HydrophobicContact CD1-CE2 3.86Å; I68-F333 HydrophobicContact CD1-CZ 4.07Å; I68-F333 HydrophobicContact CG1-CE2 3.72Å; I68-F333 HydrophobicContact CG1-CZ 4.28Å; S174-F333 CarbonylContact O-C 3.41Å; S174-F333 WeakPolarHBondContact O-CA 3.18Å; S174-F333 WeakPolarHBondContact O-CB 3.28Å; L326-F333 HydrophobicContact CB-CB 3.71Å; L326-F333 HydrophobicContact CB-CD1 4.22Å; L326-F333 HydrophobicContact CB-CD2 4.04Å; L326-F333 HydrophobicContact CB-CG 3.74Å; L326-F333 HydrophobicContact CD1-CB 4.49Å; L326-F333 HydrophobicContact CD1-CD2 4.04Å; L326-F333 HydrophobicContact CD1-CG 4.49Å; F333-L335 HydrophobicContact CD2-CB 3.97Å; F333-L335 HydrophobicContact CE2-CB 4.06Å; F333-V372 HydrophobicContact CZ-CG1 4.17Å |
| 334 | L | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 118.7 | 167.8 | 175.3 | 61 | 0 | 0 | 0 | 109.3 | V67 I165 A168 S174 T175 G176 T489 L493 | V67-L334 HydrophobicContact CB-CD1 3.64Å; V67-L334 HydrophobicContact CG1-CD1 3.68Å; V67-L334 WeakPolarHBondContact O-CA 3.39Å; I165-L334 HydrophobicContact CD1-CB 4.36Å; I165-L334 HydrophobicContact CD1-CD2 3.81Å; I165-L334 HydrophobicContact CD1-CG 3.62Å; I165-L334 HydrophobicContact CG1-CD2 4.12Å; I165-L334 HydrophobicContact CG1-CG 4.44Å; A168-L334 HydrophobicContact CB-CB 4.05Å; A168-L334 HydrophobicContact CB-CD2 4.02Å; S174-L334 PolarHBondContact O-N 3.26Å; T175-L334 VanDerWaalsContact CA-O 3.26Å; T175-L334 WeakPolarHBondContact CA-O 3.25Å; T175-L334 HydrophobicContact CG2-CB 4.44Å; G176-L334 PolarHBondContact N-O 2.75Å; L334-T489 HydrophobicContact CD1-CG2 3.66Å; L334-T489 HydrophobicContact CD2-CG2 3.88Å; L334-T489 HydrophobicContact CG-CG2 4.44Å; L334-L493 HydrophobicContact CB-CD1 3.95Å; L334-L493 HydrophobicContact CD1-CD1 4.41Å; L334-L493 HydrophobicContact CD2-CD1 4.45Å; L334-L493 HydrophobicContact CG-CD1 4.49Å |
| 335 | L | 99 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.6 | -178.7 | 174.4 | 60.5 | 0 | 0 | 0 | 110.4 | V67 I68 L69 V178 A322 I323 L326 F333 V337 | V67-L335 PolarHBondContact O-N 3.38Å; I68-L335 WeakPolarHBondContact CA-O 3.44Å; I68-L335 HydrophobicContact CD1-CD2 4.49Å; I68-L335 HydrophobicContact CG1-CB 4.36Å; I68-L335 HydrophobicContact CG2-CB 4.22Å; I68-L335 HydrophobicContact CG2-CD2 4.15Å; I68-L335 HydrophobicContact CG2-CG 4.18Å; L69-L335 PolarHBondContact N-O 3.18Å; V178-L335 HydrophobicContact CG2-CD1 4.07Å; A322-L335 HydrophobicContact CB-CD1 3.92Å; A322-L335 HydrophobicContact CB-CD2 4.08Å; I323-L335 HydrophobicContact CD1-CD2 4.47Å; I323-L335 HydrophobicContact CG1-CD2 3.81Å; L326-L335 HydrophobicContact CD1-CB 3.96Å; L326-L335 HydrophobicContact CD1-CD1 3.93Å; L326-L335 HydrophobicContact CD1-CD2 4.39Å; L326-L335 HydrophobicContact CD1-CG 4.3Å; F333-L335 HydrophobicContact CD2-CB 3.97Å; F333-L335 HydrophobicContact CE2-CB 4.06Å; L335-V337 HydrophobicContact CD1-CG2 4.22Å; L335-V337 HydrophobicContact CD2-CG2 3.9Å; L335-V337 HydrophobicContact CG-CG2 3.74Å |
| 336 | L | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 129.1 | 166.2 | 175.9 | 72.4 | 0 | 0 | 0 | 109.2 | L69 I71 F130 M131 I165 G176 I177 V178 A191 | L69-L336 HydrophobicContact CB-CD1 4.45Å; L69-L336 HydrophobicContact CD2-CD1 4.13Å; L69-L336 HydrophobicContact CG-CD1 4.19Å; L69-L336 WeakPolarHBondContact O-CA 3.43Å; I71-L336 HydrophobicContact CG1-CD1 3.79Å; F130-L336 HydrophobicContact CE2-CD1 4.25Å; M131-L336 HydrophobicContact CE-CD1 4.03Å; M131-L336 HydrophobicContact CE-CD2 3.24Å; M131-L336 HydrophobicContact CE-CG 4.28Å; M131-L336 HydrophobicContact SD-CD2 4.06Å; I165-L336 HydrophobicContact CD1-CB 4.47Å; G176-L336 PolarHBondContact O-N 2.94Å; I177-L336 HydrophobicContact CG2-CD2 4.36Å; V178-L336 PolarHBondContact N-O 2.88Å; A191-L336 HydrophobicContact CB-CD2 4.42Å |
| 337 | V | 99 | Very high | 98.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.9 | 174.5 | -175 | 0 | 0 | 0 | 0 | 109 | I68 L69 F70 I71 V178 L315 T319 L335 A364 | I68-V337 HydrophobicContact CG2-CG2 4.18Å; L69-V337 PolarHBondContact O-N 3.33Å; F70-V337 CarbonylContact C-O 3.56Å; F70-V337 VanDerWaalsContact CA-O 3.27Å; F70-V337 WeakPolarHBondContact CA-O 3.49Å; F70-V337 HydrophobicContact CD1-CB 3.55Å; F70-V337 HydrophobicContact CD1-CG1 3.76Å; F70-V337 HydrophobicContact CD1-CG2 4.09Å; F70-V337 HydrophobicContact CE1-CB 3.74Å; F70-V337 HydrophobicContact CE1-CG1 3.86Å; F70-V337 HydrophobicContact CE1-CG2 3.79Å; F70-V337 HydrophobicContact CG-CB 4.37Å; F70-V337 HydrophobicContact CZ-CG2 4.39Å; I71-V337 PolarHBondContact N-O 2.84Å; V178-V337 HydrophobicContact CB-CG1 4.49Å; V178-V337 HydrophobicContact CB-CG2 4.44Å; V178-V337 HydrophobicContact CG1-CG1 4.4Å; V178-V337 CarbonylContact O-C 3.55Å; V178-V337 VanDerWaalsContact O-CA 3.3Å; V178-V337 WeakPolarHBondContact O-CA 3.45Å; L315-V337 HydrophobicContact CD1-CG1 3.62Å; L315-V337 HydrophobicContact CD2-CG1 4.31Å; L315-V337 HydrophobicContact CG-CG1 4Å; T319-V337 HydrophobicContact CG2-CG2 4.2Å; T319-V337 WeakPolarHBondContact OG1-CG1 3.44Å; L335-V337 HydrophobicContact CD1-CG2 4.22Å; L335-V337 HydrophobicContact CD2-CG2 3.9Å; L335-V337 HydrophobicContact CG-CG2 3.74Å; V337-A364 HydrophobicContact CG1-CB 4.47Å |
| 338 | E | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.9 | -175.3 | -173.6 | -154.7 | 170 | 0 | 0 | 111.9 | I71 V178 T179 T180 T187 P188 G340 | I71-E338 HydrophobicContact CB-CG 4.4Å; I71-E338 HydrophobicContact CG2-CG 4.49Å; I71-E338 CarbonylContact O-C 3.56Å; I71-E338 VanDerWaalsContact O-CA 3.3Å; I71-E338 WeakPolarHBondContact O-CA 3.42Å; V178-E338 PolarHBondContact O-N 2.92Å; T179-E338 WeakPolarHBondContact CA-O 3.14Å; T179-E338 WeakPolarHBondContact CB-OE2 3.38Å; T179-E338 VanDerWaalsContact OG1-CD 3.29Å; T179-E338 PolarHBondContact OG1-OE2 2.93Å; T180-E338 PolarHBondContact N-O 2.83Å; T180-E338 VanDerWaalsContact N-O 3.1Å; T187-E338 WeakPolarHBondContact CB-OE1 3.39Å; T187-E338 HydrophobicContact CG2-CG 3.95Å; P188-E338 VanDerWaalsContact CD-OE2 3.26Å; P188-E338 WeakPolarHBondContact CD-OE2 3.33Å; E338-G340 VanDerWaalsContact C-N 3.29Å; E338-G340 PolarHBondContact O-N 3.35Å |
| 339 | G | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | trans | -86.7 | 59.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I71 R341 I342 | I71-G339 PolarHBondContact O-N 2.97Å; G339-R341 PolarHBondContact O-N 3.01Å; G339-I342 WeakPolarHBondContact O-CD1 3.44Å; G339-I342 VanDerWaalsContact O-CG1 3.29Å; G339-I342 WeakPolarHBondContact O-CG1 3.09Å; G339-I342 PolarHBondContact O-N 3.41Å | ||
| 340 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 1.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | T180 T181 E338 I342 H344 | T180-G340 PolarHBondContact OG1-N 3.47Å; T181-G340 VanDerWaalsContact CG2-CA 3.48Å; E338-G340 VanDerWaalsContact C-N 3.29Å; E338-G340 PolarHBondContact O-N 3.35Å; G340-I342 VanDerWaalsContact C-N 3.3Å; G340-H344 PolarHBondContact O-CE1 2.99Å; G340-H344 PolarHBondContact O-ND1 3.29Å |
| 341 | R | 98.8 | Very high | 98.7 | Very high | 31 Ų | 31 | 14.8 Ų | 14.8 | 12% | 0.117 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -79.8 | -13.6 | 169.9 | -64.7 | -55.6 | -64.5 | 171.1 | -10.2 | 112.4 | T180 H302 Y305 G339 H344 G345 E357 | T180-R341 PolarHBondContact OG1-N 3.2Å; H302-R341 PolarHBondContact CD2-NH1 3.2Å; H302-R341 VanDerWaalsContact CD2-NH1 3.28Å; Y305-R341 HydrophobicContact CD1-CB 3.82Å; Y305-R341 HydrophobicContact CD1-CG 4.37Å; Y305-R341 HydrophobicContact CE1-CB 3.8Å; Y305-R341 HydrophobicContact CE1-CG 4.5Å; Y305-R341 WeakPolarHBondContact CE1-O 3.17Å; Y305-R341 PolarHBondContact OH-NH2 3.13Å; G339-R341 PolarHBondContact O-N 3.01Å; R341-H344 PolarHBondContact NH1-CE1 2.57Å; R341-H344 PolarHBondContact NH1-ND1 3.41Å; R341-H344 PolarHBondContact O-N 3.39Å; R341-G345 PolarHBondContact O-N 3.01Å; R341-E357 HydrophobicContact CB-CB 4.37Å; R341-E357 HydrophobicContact CB-CG 3.63Å; R341-E357 WeakPolarHBondContact CB-OE2 3.49Å |
| 342 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -57.9 | -53.8 | 173.1 | -62.6 | 167.4 | 0 | 0 | 0 | 110.1 | D73 M75 T79 G339 G340 H344 G345 N346 E357 L361 | D73-I342 WeakPolarHBondContact O-CB 3.49Å; D73-I342 WeakPolarHBondContact O-CG2 3.3Å; M75-I342 HydrophobicContact CB-CD1 4.4Å; M75-I342 HydrophobicContact CB-CG2 4.32Å; T79-I342 HydrophobicContact CG2-CG2 3.8Å; G339-I342 WeakPolarHBondContact O-CD1 3.44Å; G339-I342 VanDerWaalsContact O-CG1 3.29Å; G339-I342 WeakPolarHBondContact O-CG1 3.09Å; G339-I342 PolarHBondContact O-N 3.41Å; G340-I342 VanDerWaalsContact C-N 3.3Å; I342-H344 VanDerWaalsContact C-N 3.34Å; I342-H344 PolarHBondContact O-N 3.36Å; I342-G345 PolarHBondContact O-N 3.31Å; I342-G345 VanDerWaalsContact O-N 3.14Å; I342-N346 PolarHBondContact O-N 3.36Å; I342-E357 HydrophobicContact CB-CB 4.48Å; I342-E357 HydrophobicContact CG1-CB 3.59Å; I342-L361 HydrophobicContact CD1-CB 4.46Å; I342-L361 HydrophobicContact CD1-CD2 4.22Å |
| 343 | D | 98.8 | Very high | 98.8 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 2% | 0.016 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.5 | -44.6 | 176.9 | 178.5 | 57 | 0 | 0 | 0 | 112.7 | D73 G345 N346 H347 H385 H387 H459 | D73-D343 HydrophobicContact CB-CB 3.98Å; D73-D343 WeakPolarHBondContact O-CA 3.27Å; D73-D343 WeakPolarHBondContact O-CB 3.31Å; D73-D343 PolarHBondContact O-N 3.06Å; D73-D343 VanDerWaalsContact OD1-CB 3.23Å; D73-D343 WeakPolarHBondContact OD1-CB 3.21Å; D343-G345 VanDerWaalsContact C-N 3.33Å; D343-G345 PolarHBondContact O-N 2.7Å; D343-N346 CarbonylContact O-C 3.34Å; D343-N346 PolarHBondContact O-N 2.96Å; D343-N346 VanDerWaalsContact O-N 3.14Å; D343-H347 WeakPolarHBondContact O-CB 3.26Å; D343-H347 PolarHBondContact O-N 2.57Å; D343-H347 IonicContact OD1-CD2 3.88Å; D343-H347 IonicContact OD1-NE2 3.67Å; D343-H347 IonicContact OD2-CD2 3.94Å; D343-H347 PolarHBondContact OD2-CD2 3.31Å; D343-H347 IonicContact OD2-NE2 3.26Å; D343-H347 PolarHBondContact OD2-NE2 3.3Å; D343-H347 VanDerWaalsContact OD2-NE2 3.17Å; D343-H385 IonicContact OD1-CE1 3.14Å; D343-H385 PolarHBondContact OD1-CE1 3.35Å; D343-H387 IonicContact OD1-CD2 2.73Å; D343-H387 PolarHBondContact OD1-CD2 3.18Å; D343-H387 VanDerWaalsContact OD1-CD2 3.26Å; D343-H387 IonicContact OD1-NE2 2.83Å; D343-H387 PolarHBondContact OD1-NE2 3.01Å; D343-H459 IonicContact OD1-CD2 3.11Å; D343-H459 IonicContact OD1-NE2 3.49Å |
| 344 | H | 98.8 | Very high | 98.8 | Very high | 27 Ų | 27 | 11.7 Ų | 11.7 | 13% | 0.125 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 177.1 | -65.1 | 117.5 | 0 | 0 | 0 | 112.7 | H302 Y305 G340 R341 I342 N346 Q348 | H302-H344 AromaticContact CD2-CE1 3.88Å; H302-H344 AromaticContact CD2-NE2 3.9Å; H302-H344 AromaticContact CE1-CE1 3.58Å; H302-H344 AromaticContact CE1-NE2 3.67Å; H302-H344 AromaticContact ND1-CE1 3.91Å; H302-H344 AromaticContact NE2-CE1 3.58Å; H302-H344 AromaticContact NE2-NE2 3.34Å; H302-H344 PolarHBondContact NE2-NE2 2.85Å; Y305-H344 HydrophobicContact CE1-CB 4.36Å; Y305-H344 VanDerWaalsContact OH-CB 3.25Å; Y305-H344 WeakPolarHBondContact OH-CB 3.37Å; Y305-H344 PolarHBondContact OH-O 3.34Å; G340-H344 PolarHBondContact O-CE1 2.99Å; G340-H344 PolarHBondContact O-ND1 3.29Å; R341-H344 PolarHBondContact NH1-CE1 2.57Å; R341-H344 PolarHBondContact NH1-ND1 3.41Å; R341-H344 PolarHBondContact O-N 3.39Å; I342-H344 VanDerWaalsContact C-N 3.34Å; I342-H344 PolarHBondContact O-N 3.36Å; H344-N346 VanDerWaalsContact C-N 3.34Å; H344-Q348 VanDerWaalsContact O-CG 3.31Å; H344-Q348 WeakPolarHBondContact O-CG 3.46Å; H344-Q348 PolarHBondContact O-N 3.17Å |
| 345 | G | 98.7 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y305 R341 I342 D343 Q348 N349 Q350 | Y305-G345 PolarHBondContact OH-N 2.97Å; R341-G345 PolarHBondContact O-N 3.01Å; I342-G345 PolarHBondContact O-N 3.31Å; I342-G345 VanDerWaalsContact O-N 3.14Å; D343-G345 VanDerWaalsContact C-N 3.33Å; D343-G345 PolarHBondContact O-N 2.7Å; G345-Q348 PolarHBondContact O-N 3.17Å; G345-N349 PolarHBondContact O-N 3.17Å; G345-Q350 PolarHBondContact O-N 2.73Å |
| 346 | N | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.2 | -43.4 | 178.2 | -77.2 | -30.9 | 0 | 0 | 0 | 112.6 | G74 I342 D343 H344 Q348 N349 A354 H387 F421 S457 | G74-N346 PolarHBondContact O-ND2 3.37Å; I342-N346 PolarHBondContact O-N 3.36Å; D343-N346 CarbonylContact O-C 3.34Å; D343-N346 PolarHBondContact O-N 2.96Å; D343-N346 VanDerWaalsContact O-N 3.14Å; H344-N346 VanDerWaalsContact C-N 3.34Å; N346-Q348 PolarHBondContact O-N 2.75Å; N346-N349 PolarHBondContact O-N 3.12Å; N346-A354 WeakPolarHBondContact OD1-CB 3.25Å; N346-H387 HydrophobicContact CB-CB 4.02Å; N346-H387 VanDerWaalsContact CB-CD2 3.41Å; N346-H387 WeakPolarHBondContact CB-CD2 3.37Å; N346-F421 HydrophobicContact CB-CE1 4.26Å; N346-F421 WeakPolarHBondContact O-CE1 3.49Å; N346-S457 WeakPolarHBondContact O-CB 3.36Å |
| 347 | H | 98.6 | Very high | 98.8 | Very high | 31 Ų | 31 | 12 Ų | 12 | 14% | 0.144 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -54.9 | -34.9 | 173.6 | -88.4 | -45.3 | 0 | 0 | 0 | 113 | D343 N349 H387 P425 L456 S457 H459 | D343-H347 WeakPolarHBondContact O-CB 3.26Å; D343-H347 PolarHBondContact O-N 2.57Å; D343-H347 IonicContact OD1-CD2 3.88Å; D343-H347 IonicContact OD1-NE2 3.67Å; D343-H347 IonicContact OD2-CD2 3.94Å; D343-H347 PolarHBondContact OD2-CD2 3.31Å; D343-H347 IonicContact OD2-NE2 3.26Å; D343-H347 PolarHBondContact OD2-NE2 3.3Å; D343-H347 VanDerWaalsContact OD2-NE2 3.17Å; H347-N349 VanDerWaalsContact C-N 3.32Å; H347-H387 AromaticContact CE1-NE2 3.82Å; H347-H387 AromaticContact CG-NE2 3.7Å; H347-H387 PolarHBondContact N-NE2 3.15Å; H347-H387 AromaticContact ND1-CE1 3.87Å; H347-H387 AromaticContact ND1-NE2 3.4Å; H347-H387 PolarHBondContact ND1-NE2 2.79Å; H347-P425 WeakPolarHBondContact O-CD 3.36Å; H347-L456 HydrophobicContact CB-CB 4.34Å; H347-L456 HydrophobicContact CB-CD2 4.29Å; H347-L456 CarbonylContact O-C 3.57Å; H347-L456 WeakPolarHBondContact O-CA 3.5Å; H347-S457 PolarHBondContact CE1-O 2.99Å; H347-S457 VanDerWaalsContact CE1-O 3.28Å; H347-S457 PolarHBondContact ND1-O 2.78Å; H347-S457 PolarHBondContact O-N 3.36Å; H347-H459 AromaticContact CE1-CD2 3.51Å; H347-H459 AromaticContact CE1-NE2 3.3Å; H347-H459 PolarHBondContact CE1-NE2 2.77Å; H347-H459 VanDerWaalsContact CE1-NE2 3.3Å; H347-H459 AromaticContact NE2-CD2 3.92Å; H347-H459 AromaticContact NE2-NE2 3.31Å; H347-H459 PolarHBondContact NE2-NE2 3.03Å |
| 348 | Q | 98.6 | Very high | 98.8 | Very high | 70 Ų | 70 | 12 Ų | 12 | 33% | 0.327 | 6% | 0.057 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 5 | 178.7 | -60.9 | -57.2 | -29.7 | 0 | 0 | 113.8 | H344 G345 N346 Q350 T447 | H344-Q348 VanDerWaalsContact O-CG 3.31Å; H344-Q348 WeakPolarHBondContact O-CG 3.46Å; H344-Q348 PolarHBondContact O-N 3.17Å; G345-Q348 PolarHBondContact O-N 3.17Å; N346-Q348 PolarHBondContact O-N 2.75Å; Q348-Q350 HydrophobicContact CB-CB 4.28Å; Q348-Q350 HydrophobicContact CB-CG 3.92Å; Q348-Q350 VanDerWaalsContact CB-OE1 3.26Å; Q348-Q350 PolarHBondContact O-N 2.75Å; Q348-T447 WeakPolarHBondContact O-CG2 3.34Å |
| 349 | N | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 32.5 | -169.4 | -64.8 | -4.9 | 0 | 0 | 0 | 113.2 | G345 N346 H347 F421 N423 P425 T447 A448 S450 S457 | G345-N349 PolarHBondContact O-N 3.17Å; N346-N349 PolarHBondContact O-N 3.12Å; H347-N349 VanDerWaalsContact C-N 3.32Å; N349-F421 HydrophobicContact CB-CB 4.38Å; N349-F421 HydrophobicContact CB-CD1 4.31Å; N349-F421 HydrophobicContact CB-CD2 3.81Å; N349-F421 HydrophobicContact CB-CE2 4.11Å; N349-F421 HydrophobicContact CB-CG 3.91Å; N349-F421 VanDerWaalsContact OD1-CD1 3.31Å; N349-F421 WeakPolarHBondContact OD1-CD1 3.47Å; N349-F421 WeakPolarHBondContact OD1-CG 3.45Å; N349-N423 PolarHBondContact OD1-O 3.12Å; N349-P425 PolarHBondContact ND2-O 3.31Å; N349-T447 HydrophobicContact CB-CG2 4.09Å; N349-A448 HydrophobicContact CB-CB 4.35Å; N349-A448 PolarHBondContact ND2-O 3.09Å; N349-A448 PolarHBondContact O-N 3.08Å; N349-S450 WeakPolarHBondContact ND2-CB 3.3Å; N349-S457 WeakPolarHBondContact OD1-CB 3.34Å |
| 350 | Q | 98.6 | Very high | 98.7 | Very high | 24 Ų | 24 | 13.1 Ų | 13.1 | 11% | 0.112 | 6% | 0.062 | C | C | . | . | trans | -107.2 | 80.8 | -177.1 | -73 | 170 | -26.1 | 0 | 0 | 109.4 | G345 Q348 Q352 Y353 A354 N445 Y446 | G345-Q350 PolarHBondContact O-N 2.73Å; Q348-Q350 HydrophobicContact CB-CB 4.28Å; Q348-Q350 HydrophobicContact CB-CG 3.92Å; Q348-Q350 VanDerWaalsContact CB-OE1 3.26Å; Q348-Q350 PolarHBondContact O-N 2.75Å; Q350-Q352 VanDerWaalsContact C-N 3.26Å; Q350-Q352 PolarHBondContact O-N 2.71Å; Q350-Y353 HydrophobicContact CB-CD2 3.72Å; Q350-Y353 HydrophobicContact CB-CG 4.5Å; Q350-Y353 HydrophobicContact CG-CD2 4.22Å; Q350-Y353 PolarHBondContact O-N 3.23Å; Q350-Y353 VanDerWaalsContact OE1-CD2 3.25Å; Q350-A354 PolarHBondContact O-N 3.22Å; Q350-A354 VanDerWaalsContact O-N 3.12Å; Q350-N445 PolarHBondContact NE2-O 2.98Å; Q350-Y446 WeakPolarHBondContact CG-O 3.46Å | ||
| 351 | A | 98.6 | Very high | 98.8 | Very high | 9 Ų | 9 | 13.1 Ų | 13.1 | 7% | 0.074 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -56.5 | -38.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y353 A354 L355 Y389 L402 F421 | A351-Y353 VanDerWaalsContact C-N 3.32Å; A351-Y353 PolarHBondContact O-N 2.86Å; A351-A354 PolarHBondContact O-N 3.37Å; A351-L355 VanDerWaalsContact O-CB 3.32Å; A351-L355 WeakPolarHBondContact O-CB 3.41Å; A351-L355 WeakPolarHBondContact O-CG 3.16Å; A351-L355 PolarHBondContact O-N 3.26Å; A351-Y389 HydrophobicContact CB-CE2 4.21Å; A351-L402 HydrophobicContact CB-CD2 3.93Å; A351-F421 HydrophobicContact CB-CE2 4.11Å; A351-F421 HydrophobicContact CB-CZ 4.32Å |
| 352 | Q | 98.5 | Very high | 98.8 | Very high | 37 Ų | 37 | 12 Ų | 12 | 17% | 0.173 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.9 | -39.9 | -179.6 | -169.6 | 170.4 | 13.5 | 0 | 0 | 112.7 | L307 Q350 T356 L402 F442 A443 | L307-Q352 HydrophobicContact CD1-CG 3.84Å; Q350-Q352 VanDerWaalsContact C-N 3.26Å; Q350-Q352 PolarHBondContact O-N 2.71Å; Q352-T356 WeakPolarHBondContact O-CB 3.07Å; Q352-T356 PolarHBondContact O-N 3.09Å; Q352-T356 VanDerWaalsContact O-N 3.08Å; Q352-T356 PolarHBondContact O-OG1 3.33Å; Q352-L402 HydrophobicContact CB-CD1 3.86Å; Q352-L402 HydrophobicContact CB-CD2 4.13Å; Q352-L402 HydrophobicContact CG-CD1 3.66Å; Q352-F442 PolarHBondContact NE2-O 2.92Å; Q352-F442 PolarHBondContact OE1-O 2.84Å; Q352-A443 PolarHBondContact OE1-O 2.8Å |
| 353 | Y | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 16.7 Ų | 16.7 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.7 | -54.6 | 171.1 | -71.3 | -47.2 | 0 | 0 | 0 | 110.9 | Y305 L307 E308 Q350 A351 L355 T356 E357 S444 N445 | Y305-Y353 AromaticContact CD1-CD1 3.99Å; Y305-Y353 HydrophobicContact CD1-CD1 3.99Å; Y305-Y353 AromaticContact CD1-CG 3.99Å; Y305-Y353 HydrophobicContact CD1-CG 3.99Å; Y305-Y353 AromaticContact CD2-CD1 3.8Å; Y305-Y353 HydrophobicContact CD2-CD1 3.8Å; Y305-Y353 HydrophobicContact CD2-CD2 4.03Å; Y305-Y353 AromaticContact CD2-CE1 3.89Å; Y305-Y353 HydrophobicContact CD2-CE1 3.89Å; Y305-Y353 HydrophobicContact CD2-CE2 4.12Å; Y305-Y353 AromaticContact CD2-CG 3.92Å; Y305-Y353 HydrophobicContact CD2-CG 3.92Å; Y305-Y353 HydrophobicContact CE1-CG 4.11Å; Y305-Y353 HydrophobicContact CE2-CD1 4.37Å; Y305-Y353 AromaticContact CE2-CD2 3.82Å; Y305-Y353 HydrophobicContact CE2-CD2 3.82Å; Y305-Y353 HydrophobicContact CE2-CE2 4.1Å; Y305-Y353 HydrophobicContact CE2-CG 4.01Å; Y305-Y353 AromaticContact CG-CD1 3.57Å; Y305-Y353 HydrophobicContact CG-CD1 3.57Å; Y305-Y353 HydrophobicContact CG-CD2 4.46Å; Y305-Y353 AromaticContact CG-CE1 3.98Å; Y305-Y353 HydrophobicContact CG-CE1 3.98Å; Y305-Y353 AromaticContact CG-CG 3.89Å; Y305-Y353 HydrophobicContact CG-CG 3.89Å; L307-Y353 HydrophobicContact CB-CD1 4.37Å; L307-Y353 HydrophobicContact CB-CE1 4.01Å; L307-Y353 HydrophobicContact CD1-CD1 3.88Å; L307-Y353 HydrophobicContact CD1-CE1 4.02Å; L307-Y353 HydrophobicContact CG-CD1 4.47Å; E308-Y353 HydrophobicContact CG-CE1 4.29Å; E308-Y353 VanDerWaalsContact OE1-CZ 3.24Å; E308-Y353 PolarHBondContact OE1-OH 3.06Å; Q350-Y353 HydrophobicContact CB-CD2 3.72Å; Q350-Y353 HydrophobicContact CB-CG 4.5Å; Q350-Y353 HydrophobicContact CG-CD2 4.22Å; Q350-Y353 PolarHBondContact O-N 3.23Å; Q350-Y353 VanDerWaalsContact OE1-CD2 3.25Å; A351-Y353 VanDerWaalsContact C-N 3.32Å; A351-Y353 PolarHBondContact O-N 2.86Å; Y353-L355 VanDerWaalsContact C-N 3.32Å; Y353-L355 PolarHBondContact O-N 2.86Å; Y353-T356 PolarHBondContact O-N 3.04Å; Y353-E357 WeakPolarHBondContact O-CB 3.33Å; Y353-E357 VanDerWaalsContact O-CG 3.27Å; Y353-E357 WeakPolarHBondContact O-CG 3.46Å; Y353-E357 PolarHBondContact O-N 3Å; Y353-S444 WeakPolarHBondContact CD2-O 3.3Å; Y353-S444 WeakPolarHBondContact CE2-O 3.11Å; Y353-S444 VanDerWaalsContact CZ-O 3.26Å; Y353-S444 PolarHBondContact OH-OG 3.35Å; Y353-N445 HydrophobicContact CE2-CB 4.04Å |
| 354 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -56 | -45 | -176 | 0 | 0 | 0 | 0 | 0 | 113.1 | N346 Q350 A351 T358 | N346-A354 WeakPolarHBondContact OD1-CB 3.25Å; Q350-A354 PolarHBondContact O-N 3.22Å; Q350-A354 VanDerWaalsContact O-N 3.12Å; A351-A354 PolarHBondContact O-N 3.37Å; A354-T358 PolarHBondContact O-N 2.79Å; A354-T358 VanDerWaalsContact O-N 3.11Å; A354-T358 PolarHBondContact O-OG1 2.91Å |
| 355 | L | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -71.8 | -39.7 | 179.9 | -60 | -173.2 | 0 | 0 | 0 | 111.9 | T79 A83 L86 A351 Y353 T358 L359 Y389 V401 L402 | T79-L355 HydrophobicContact CG2-CD2 4.17Å; T79-L355 WeakPolarHBondContact O-CD2 3.5Å; A83-L355 HydrophobicContact CB-CD2 4.4Å; L86-L355 HydrophobicContact CD2-CB 3.62Å; A351-L355 VanDerWaalsContact O-CB 3.32Å; A351-L355 WeakPolarHBondContact O-CB 3.41Å; A351-L355 WeakPolarHBondContact O-CG 3.16Å; A351-L355 PolarHBondContact O-N 3.26Å; Y353-L355 VanDerWaalsContact C-N 3.32Å; Y353-L355 PolarHBondContact O-N 2.86Å; L355-T358 WeakPolarHBondContact O-CB 3.33Å; L355-T358 PolarHBondContact O-N 3.47Å; L355-L359 PolarHBondContact O-N 2.86Å; L355-Y389 HydrophobicContact CD2-CE1 4.19Å; L355-V401 HydrophobicContact CD1-CG1 3.7Å; L355-L402 HydrophobicContact CD1-CD2 4.11Å |
| 356 | T | 98.7 | Very high | 98.8 | Very high | 8 Ų | 8 | 19.4 Ų | 19.4 | 5% | 0.049 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.4 | -39.9 | 176.7 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | R306 L307 Q352 Y353 T358 L359 E360 | R306-T356 HydrophobicContact CB-CG2 4.37Å; R306-T356 HydrophobicContact CG-CG2 4.39Å; L307-T356 HydrophobicContact CD1-CG2 4.48Å; L307-T356 HydrophobicContact CD2-CG2 3.95Å; L307-T356 HydrophobicContact CG-CG2 3.96Å; Q352-T356 WeakPolarHBondContact O-CB 3.07Å; Q352-T356 PolarHBondContact O-N 3.09Å; Q352-T356 VanDerWaalsContact O-N 3.08Å; Q352-T356 PolarHBondContact O-OG1 3.33Å; Y353-T356 PolarHBondContact O-N 3.04Å; T356-T358 VanDerWaalsContact C-N 3.26Å; T356-T358 PolarHBondContact O-N 3.4Å; T356-L359 WeakPolarHBondContact O-CB 3.43Å; T356-L359 PolarHBondContact O-N 3.16Å; T356-L359 VanDerWaalsContact O-N 3.09Å; T356-E360 PolarHBondContact O-N 3.49Å |
| 357 | E | 98.9 | Very high | 98.8 | Very high | 7 Ų | 7 | 22.6 Ų | 22.6 | 3% | 0.033 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.7 | -31.1 | 174.5 | -65.9 | -58.7 | 135.9 | 0 | 0 | 112.1 | Y305 R306 R341 I342 Y353 L359 E360 L361 | Y305-E357 VanDerWaalsContact CA-OE1 3.25Å; Y305-E357 WeakPolarHBondContact CA-OE1 3.19Å; Y305-E357 HydrophobicContact CD1-CG 3.8Å; Y305-E357 HydrophobicContact CE1-CG 4.34Å; R306-E357 WeakPolarHBondContact CB-OE1 3.38Å; R306-E357 PolarHBondContact N-OE1 2.79Å; R341-E357 HydrophobicContact CB-CB 4.37Å; R341-E357 HydrophobicContact CB-CG 3.63Å; R341-E357 WeakPolarHBondContact CB-OE2 3.49Å; I342-E357 HydrophobicContact CB-CB 4.48Å; I342-E357 HydrophobicContact CG1-CB 3.59Å; Y353-E357 WeakPolarHBondContact O-CB 3.33Å; Y353-E357 VanDerWaalsContact O-CG 3.27Å; Y353-E357 WeakPolarHBondContact O-CG 3.46Å; Y353-E357 PolarHBondContact O-N 3Å; E357-L359 VanDerWaalsContact C-N 3.3Å; E357-L359 PolarHBondContact O-N 3.03Å; E357-E360 WeakPolarHBondContact O-CB 3.46Å; E357-E360 PolarHBondContact O-N 2.85Å; E357-E360 VanDerWaalsContact O-N 3.13Å; E357-L361 PolarHBondContact O-N 3.09Å |
| 358 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.7 | -36.4 | 172.1 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | M75 T79 A83 L100 W102 A354 L355 T356 E360 L361 E362 | M75-T358 HydrophobicContact CG-CG2 4.32Å; M75-T358 HydrophobicContact SD-CG2 3.91Å; T79-T358 WeakPolarHBondContact CG2-OG1 3.33Å; A83-T358 HydrophobicContact CB-CG2 3.48Å; A83-T358 VanDerWaalsContact CB-CG2 3.48Å; L100-T358 HydrophobicContact CD1-CG2 4.28Å; W102-T358 HydrophobicContact CZ2-CG2 4.44Å; A354-T358 PolarHBondContact O-N 2.79Å; A354-T358 VanDerWaalsContact O-N 3.11Å; A354-T358 PolarHBondContact O-OG1 2.91Å; L355-T358 WeakPolarHBondContact O-CB 3.33Å; L355-T358 PolarHBondContact O-N 3.47Å; T356-T358 VanDerWaalsContact C-N 3.26Å; T356-T358 PolarHBondContact O-N 3.4Å; T358-E360 VanDerWaalsContact C-N 3.32Å; T358-L361 WeakPolarHBondContact O-CB 3.48Å; T358-L361 PolarHBondContact O-N 3.37Å; T358-E362 PolarHBondContact O-N 3.22Å |
| 359 | L | 98.8 | Very high | 98.8 | Very high | 13 Ų | 13 | 19.1 Ų | 19.1 | 7% | 0.068 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -70.5 | -27 | 172.4 | -57.8 | -177.4 | 0 | 0 | 0 | 112.7 | A83 L86 K87 K90 L100 L355 T356 E357 E362 K363 | A83-L359 HydrophobicContact CB-CD2 4.22Å; L86-L359 HydrophobicContact CD2-CD1 4.12Å; L86-L359 HydrophobicContact CG-CD1 4.17Å; K87-L359 HydrophobicContact CB-CD2 3.86Å; K87-L359 HydrophobicContact CG-CD2 4.47Å; K90-L359 HydrophobicContact CD-CD1 3.92Å; L100-L359 HydrophobicContact CD2-CD2 3.8Å; L355-L359 PolarHBondContact O-N 2.86Å; T356-L359 WeakPolarHBondContact O-CB 3.43Å; T356-L359 PolarHBondContact O-N 3.16Å; T356-L359 VanDerWaalsContact O-N 3.09Å; E357-L359 VanDerWaalsContact C-N 3.3Å; E357-L359 PolarHBondContact O-N 3.03Å; L359-E362 WeakPolarHBondContact O-CB 3.42Å; L359-E362 PolarHBondContact O-N 3.28Å; L359-K363 WeakPolarHBondContact O-CG 3.42Å; L359-K363 PolarHBondContact O-N 2.72Å; L359-K363 VanDerWaalsContact O-N 3.11Å |
| 360 | E | 98.8 | Very high | 98.8 | Very high | 11 Ų | 11 | 23 Ų | 23 | 5% | 0.051 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72.2 | -35.8 | 171.1 | -66.8 | -58.9 | 120.6 | 0 | 0 | 112.5 | R306 T356 E357 T358 E362 K363 A364 | R306-E360 HydrophobicContact CB-CG 3.6Å; R306-E360 VanDerWaalsContact CD-OE2 3.32Å; R306-E360 WeakPolarHBondContact CD-OE2 3.44Å; R306-E360 HydrophobicContact CG-CG 3.63Å; R306-E360 WeakPolarHBondContact CG-OE1 3.15Å; T356-E360 PolarHBondContact O-N 3.49Å; E357-E360 WeakPolarHBondContact O-CB 3.46Å; E357-E360 PolarHBondContact O-N 2.85Å; E357-E360 VanDerWaalsContact O-N 3.13Å; T358-E360 VanDerWaalsContact C-N 3.32Å; E360-E362 VanDerWaalsContact C-N 3.32Å; E360-K363 PolarHBondContact O-N 3.4Å; E360-K363 WeakPolarHBondContact OE1-CE 3.43Å; E360-K363 IonicContact OE1-NZ 2.64Å; E360-K363 PolarHBondContact OE1-NZ 2.7Å; E360-A364 PolarHBondContact O-N 3.09Å; E360-A364 VanDerWaalsContact O-N 3.12Å |
| 361 | L | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 169.5 | -176.3 | 65.1 | 0 | 0 | 0 | 111 | F70 M75 W102 L315 I342 E357 T358 K363 A364 V365 | F70-L361 HydrophobicContact CB-CD1 4.24Å; F70-L361 HydrophobicContact CD1-CD1 4.1Å; M75-L361 HydrophobicContact CE-CD2 4.47Å; M75-L361 HydrophobicContact SD-CD2 3.98Å; W102-L361 HydrophobicContact CH2-CB 4.41Å; W102-L361 HydrophobicContact CH2-CD2 4.23Å; W102-L361 HydrophobicContact CH2-CG 4.21Å; W102-L361 HydrophobicContact CZ3-CG 4.25Å; L315-L361 HydrophobicContact CD2-CD1 3.95Å; I342-L361 HydrophobicContact CD1-CB 4.46Å; I342-L361 HydrophobicContact CD1-CD2 4.22Å; E357-L361 PolarHBondContact O-N 3.09Å; T358-L361 WeakPolarHBondContact O-CB 3.48Å; T358-L361 PolarHBondContact O-N 3.37Å; L361-K363 PolarHBondContact O-N 2.93Å; L361-A364 WeakPolarHBondContact O-CB 3.32Å; L361-A364 PolarHBondContact O-N 3.4Å; L361-A364 VanDerWaalsContact O-N 3.13Å; L361-V365 WeakPolarHBondContact O-CG2 3.19Å; L361-V365 PolarHBondContact O-N 2.69Å |
| 362 | E | 98.8 | Very high | 98.8 | Very high | 9 Ų | 9 | 25.5 Ų | 25.5 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -54.4 | -49.9 | 172.2 | 174 | 171.6 | -127 | 0 | 0 | 112.4 | K87 L100 V101 W102 T358 L359 E360 A364 V365 E366 | K87-E362 WeakPolarHBondContact CD-OE2 3.33Å; K87-E362 WeakPolarHBondContact CE-OE2 3.35Å; K87-E362 IonicContact NZ-OE1 3.7Å; K87-E362 PolarHBondContact NZ-OE1 2.84Å; K87-E362 IonicContact NZ-OE2 2.87Å; K87-E362 PolarHBondContact NZ-OE2 2.76Å; K87-E362 VanDerWaalsContact NZ-OE2 3.16Å; L100-E362 WeakPolarHBondContact CA-OE1 3.3Å; V101-E362 HydrophobicContact CB-CG 4.35Å; V101-E362 HydrophobicContact CG1-CG 3.99Å; V101-E362 PolarHBondContact N-OE1 3.31Å; W102-E362 HydrophobicContact CH2-CB 4Å; W102-E362 HydrophobicContact CZ3-CB 3.84Å; T358-E362 PolarHBondContact O-N 3.22Å; L359-E362 WeakPolarHBondContact O-CB 3.42Å; L359-E362 PolarHBondContact O-N 3.28Å; E360-E362 VanDerWaalsContact C-N 3.32Å; E362-A364 PolarHBondContact O-N 3.36Å; E362-V365 WeakPolarHBondContact O-CA 3.17Å; E362-V365 WeakPolarHBondContact O-CB 3.5Å; E362-V365 PolarHBondContact O-N 2.98Å; E362-E366 HydrophobicContact CG-CG 4.28Å; E362-E366 WeakPolarHBondContact O-CG 3.48Å; E362-E366 PolarHBondContact O-N 3.21Å |
| 363 | K | 98.9 | Very high | 98.7 | Very high | 97 Ų | 97 | 27.5 Ų | 27.5 | 42% | 0.422 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -59.5 | -34.7 | 177.6 | -69.4 | 171.4 | -174 | 171.1 | 0 | 112.6 | A316 L359 E360 L361 K367 | A316-K363 HydrophobicContact CB-CB 4.08Å; L359-K363 WeakPolarHBondContact O-CG 3.42Å; L359-K363 PolarHBondContact O-N 2.72Å; L359-K363 VanDerWaalsContact O-N 3.11Å; E360-K363 PolarHBondContact O-N 3.4Å; E360-K363 WeakPolarHBondContact OE1-CE 3.43Å; E360-K363 IonicContact OE1-NZ 2.64Å; E360-K363 PolarHBondContact OE1-NZ 2.7Å; L361-K363 PolarHBondContact O-N 2.93Å; K363-K367 WeakPolarHBondContact O-CB 3.25Å; K363-K367 PolarHBondContact O-N 2.97Å |
| 364 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.7 | -38.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F70 L315 A316 V337 E360 L361 E362 K367 A368 | F70-A364 HydrophobicContact CE1-CB 4.23Å; L315-A364 HydrophobicContact CB-CB 4.39Å; L315-A364 HydrophobicContact CD2-CB 4.12Å; L315-A364 HydrophobicContact CG-CB 3.79Å; A316-A364 HydrophobicContact CB-CB 4.49Å; V337-A364 HydrophobicContact CG1-CB 4.47Å; E360-A364 PolarHBondContact O-N 3.09Å; E360-A364 VanDerWaalsContact O-N 3.12Å; L361-A364 WeakPolarHBondContact O-CB 3.32Å; L361-A364 PolarHBondContact O-N 3.4Å; L361-A364 VanDerWaalsContact O-N 3.13Å; E362-A364 PolarHBondContact O-N 3.36Å; A364-K367 PolarHBondContact O-N 2.82Å; A364-A368 PolarHBondContact O-N 2.74Å |
| 365 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -47.4 | 174.3 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | F70 V101 W102 W105 L361 E362 K367 A368 L369 V381 | F70-V365 HydrophobicContact CB-CG2 4.24Å; F70-V365 HydrophobicContact CD1-CG2 3.63Å; F70-V365 HydrophobicContact CD2-CG2 3.86Å; F70-V365 HydrophobicContact CE1-CG2 3.87Å; F70-V365 HydrophobicContact CE2-CG2 4.07Å; F70-V365 HydrophobicContact CG-CG2 3.64Å; F70-V365 HydrophobicContact CZ-CG2 4.09Å; V101-V365 HydrophobicContact CG1-CB 3.98Å; V101-V365 HydrophobicContact CG1-CG1 3.63Å; W102-V365 HydrophobicContact CE3-CB 4.04Å; W102-V365 HydrophobicContact CE3-CG1 4.17Å; W102-V365 HydrophobicContact CE3-CG2 3.76Å; W102-V365 HydrophobicContact CZ3-CB 4.24Å; W102-V365 HydrophobicContact CZ3-CG2 3.78Å; W105-V365 HydrophobicContact CH2-CG1 3.89Å; W105-V365 HydrophobicContact CZ2-CG1 3.49Å; W105-V365 VanDerWaalsContact CZ2-CG1 3.49Å; L361-V365 WeakPolarHBondContact O-CG2 3.19Å; L361-V365 PolarHBondContact O-N 2.69Å; E362-V365 WeakPolarHBondContact O-CA 3.17Å; E362-V365 WeakPolarHBondContact O-CB 3.5Å; E362-V365 PolarHBondContact O-N 2.98Å; V365-K367 VanDerWaalsContact C-N 3.28Å; V365-K367 PolarHBondContact O-N 3.09Å; V365-A368 PolarHBondContact O-N 3.03Å; V365-L369 HydrophobicContact CG1-CD1 4.09Å; V365-L369 HydrophobicContact CG1-CG 4.44Å; V365-L369 WeakPolarHBondContact O-CG 3.36Å; V365-L369 PolarHBondContact O-N 2.88Å; V365-V381 HydrophobicContact CG1-CG2 4.27Å; V365-V381 HydrophobicContact CG2-CG2 3.7Å |
| 366 | E | 98.7 | Very high | 98.4 | Very high | 88 Ų | 88 | 41.1 Ų | 41.1 | 41% | 0.411 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.4 | -44.3 | 174.6 | -71.3 | -179.7 | 153.6 | 0 | 0 | 111.3 | V101 E362 L369 S370 | V101-E366 HydrophobicContact CB-CG 3.99Å; V101-E366 HydrophobicContact CG1-CG 4.01Å; V101-E366 HydrophobicContact CG2-CG 3.99Å; E362-E366 HydrophobicContact CG-CG 4.28Å; E362-E366 WeakPolarHBondContact O-CG 3.48Å; E362-E366 PolarHBondContact O-N 3.21Å; E366-L369 PolarHBondContact O-N 3.3Å; E366-S370 PolarHBondContact O-N 2.59Å |
| 367 | K | 98.9 | Very high | 98.4 | Very high | 66 Ų | 66 | 40.7 Ų | 40.7 | 29% | 0.287 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.4 | -45.8 | 177.4 | -179.7 | 56.5 | 63.1 | 153.1 | 0 | 111.7 | A316 E320 K363 A364 V365 S370 L371 | A316-K367 HydrophobicContact CB-CB 4.29Å; E320-K367 HydrophobicContact CB-CD 3.96Å; E320-K367 HydrophobicContact CB-CG 3.79Å; E320-K367 HydrophobicContact CG-CD 4.3Å; E320-K367 WeakPolarHBondContact OE2-CD 3.47Å; E320-K367 WeakPolarHBondContact OE2-CE 3.42Å; E320-K367 IonicContact OE2-NZ 2.9Å; E320-K367 PolarHBondContact OE2-NZ 2.93Å; K363-K367 WeakPolarHBondContact O-CB 3.25Å; K363-K367 PolarHBondContact O-N 2.97Å; A364-K367 PolarHBondContact O-N 2.82Å; V365-K367 VanDerWaalsContact C-N 3.28Å; V365-K367 PolarHBondContact O-N 3.09Å; K367-S370 PolarHBondContact O-N 2.88Å; K367-S370 PolarHBondContact O-OG 3.08Å; K367-L371 HydrophobicContact CD-CD1 3.92Å; K367-L371 HydrophobicContact CD-CG 4.38Å; K367-L371 HydrophobicContact CG-CD1 4.11Å; K367-L371 WeakPolarHBondContact O-CG 3.4Å; K367-L371 PolarHBondContact O-N 3.27Å |
| 368 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.4 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | I68 F70 T319 I323 A364 V365 S370 L371 V372 L379 | I68-A368 HydrophobicContact CD1-CB 4.17Å; F70-A368 HydrophobicContact CE2-CB 4.29Å; F70-A368 HydrophobicContact CZ-CB 3.57Å; T319-A368 HydrophobicContact CG2-CB 4.14Å; I323-A368 HydrophobicContact CD1-CB 3.62Å; A364-A368 PolarHBondContact O-N 2.74Å; V365-A368 PolarHBondContact O-N 3.03Å; A368-S370 PolarHBondContact O-N 3.18Å; A368-L371 PolarHBondContact O-N 2.84Å; A368-V372 WeakPolarHBondContact O-CG2 3.5Å; A368-V372 PolarHBondContact O-N 3.2Å; A368-V372 VanDerWaalsContact O-N 3.12Å; A368-L379 HydrophobicContact CB-CD2 4.43Å |
| 369 | L | 98.5 | Very high | 98.4 | Very high | 28 Ų | 28 | 40.4 Ų | 40.4 | 15% | 0.147 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.1 | -33.6 | 175.2 | -73 | 169.1 | 0 | 0 | 0 | 112.5 | V101 W105 V365 E366 L371 Q374 L379 | V101-L369 HydrophobicContact CG2-CD1 3.76Å; W105-L369 HydrophobicContact CZ2-CD1 4.2Å; W105-L369 HydrophobicContact CZ2-CD2 4.25Å; W105-L369 HydrophobicContact CZ2-CG 4.48Å; V365-L369 HydrophobicContact CG1-CD1 4.09Å; V365-L369 HydrophobicContact CG1-CG 4.44Å; V365-L369 WeakPolarHBondContact O-CG 3.36Å; V365-L369 PolarHBondContact O-N 2.88Å; E366-L369 PolarHBondContact O-N 3.3Å; L369-L371 VanDerWaalsContact C-N 3.3Å; L369-L371 PolarHBondContact O-N 3.42Å; L369-Q374 HydrophobicContact CD2-CG 4.11Å; L369-L379 HydrophobicContact CD2-CD1 3.86Å; L369-L379 HydrophobicContact CD2-CD2 4.24Å |
| 370 | S | 98.4 | Very high | 98.4 | Very high | 81 Ų | 81 | 39.8 Ų | 39.8 | 57% | 0.566 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -75 | -15 | 177.9 | 77.5 | 0 | 0 | 0 | 0 | 114.8 | E366 K367 A368 | E366-S370 PolarHBondContact O-N 2.59Å; K367-S370 PolarHBondContact O-N 2.88Å; K367-S370 PolarHBondContact O-OG 3.08Å; A368-S370 PolarHBondContact O-N 3.18Å |
| 371 | L | 98.6 | Very high | 98.4 | Very high | 67 Ų | 67 | 39.2 Ų | 39.2 | 35% | 0.351 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -112.4 | -19.8 | -171.9 | -66.9 | 171.4 | 0 | 0 | 0 | 113.8 | E320 I323 K367 A368 L369 | E320-L371 HydrophobicContact CB-CD1 3.95Å; E320-L371 HydrophobicContact CG-CD1 3.82Å; I323-L371 HydrophobicContact CB-CD1 4.33Å; I323-L371 HydrophobicContact CD1-CB 4.49Å; I323-L371 HydrophobicContact CD1-CD1 4.29Å; I323-L371 HydrophobicContact CG2-CB 3.91Å; I323-L371 HydrophobicContact CG2-CD1 4.36Å; K367-L371 HydrophobicContact CD-CD1 3.92Å; K367-L371 HydrophobicContact CD-CG 4.38Å; K367-L371 HydrophobicContact CG-CD1 4.11Å; K367-L371 WeakPolarHBondContact O-CG 3.4Å; K367-L371 PolarHBondContact O-N 3.27Å; A368-L371 PolarHBondContact O-N 2.84Å; L369-L371 VanDerWaalsContact C-N 3.3Å; L369-L371 PolarHBondContact O-N 3.42Å |
| 372 | V | 98.5 | Very high | 98.4 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 12% | 0.115 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -110 | 149.7 | -175.4 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | I68 I323 F333 A368 Q374 T377 L379 | I68-V372 HydrophobicContact CD1-CG1 3.98Å; I323-V372 HydrophobicContact CD1-CG1 4.23Å; I323-V372 HydrophobicContact CG2-CG1 4.04Å; F333-V372 HydrophobicContact CZ-CG1 4.17Å; A368-V372 WeakPolarHBondContact O-CG2 3.5Å; A368-V372 PolarHBondContact O-N 3.2Å; A368-V372 VanDerWaalsContact O-N 3.12Å; V372-Q374 PolarHBondContact O-N 3.12Å; V372-T377 HydrophobicContact CB-CG2 4.23Å; V372-T377 HydrophobicContact CG2-CG2 3.93Å; V372-L379 HydrophobicContact CG2-CD1 4.45Å; V372-L379 HydrophobicContact CG2-CD2 4.39Å |
| 373 | D | 97.8 | Very high | 98.4 | Very high | 79 Ų | 79 | 38.9 Ų | 38.9 | 42% | 0.422 | 20% | 0.195 | S | C | . | . | trans | -74.7 | 114 | 164.8 | -172.7 | -7.8 | 0 | 0 | 0 | 109.3 | Q375 E376 T377 | D373-Q375 PolarHBondContact O-N 3.33Å; D373-Q375 WeakPolarHBondContact OD1-CB 3.13Å; D373-Q375 PolarHBondContact OD1-N 3.46Å; D373-E376 HydrophobicContact CB-CB 4.4Å; D373-E376 CarbonylContact O-C 3.59Å; D373-E376 PolarHBondContact O-N 3.21Å; D373-T377 VanDerWaalsContact O-CB 3.26Å; D373-T377 WeakPolarHBondContact O-CB 3.47Å; D373-T377 PolarHBondContact O-N 3.02Å; D373-T377 PolarHBondContact O-OG1 3.37Å | ||
| 374 | Q | 96.4 | Very high | 98.4 | Very high | 82 Ų | 82 | 34.3 Ų | 34.3 | 38% | 0.383 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -19.6 | 178.6 | -65.9 | 178.9 | 55.4 | 0 | 0 | 112.6 | L369 V372 E376 L379 N469 G470 P471 | L369-Q374 HydrophobicContact CD2-CG 4.11Å; V372-Q374 PolarHBondContact O-N 3.12Å; Q374-E376 VanDerWaalsContact C-N 3.28Å; Q374-L379 HydrophobicContact CG-CD1 4.29Å; Q374-N469 PolarHBondContact OE1-ND2 2.85Å; Q374-G470 VanDerWaalsContact O-CA 3.31Å; Q374-G470 WeakPolarHBondContact O-CA 3.32Å; Q374-P471 WeakPolarHBondContact O-CD 3.27Å |
| 375 | Q | 95.8 | Very high | 98.4 | Very high | 154 Ų | 154 | 34.3 Ų | 34.3 | 72% | 0.72 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -15.8 | 173.1 | -66.4 | 176.4 | 83 | 0 | 0 | 112.8 | D373 P471 | D373-Q375 PolarHBondContact O-N 3.33Å; D373-Q375 WeakPolarHBondContact OD1-CB 3.13Å; D373-Q375 PolarHBondContact OD1-N 3.46Å; Q375-P471 WeakPolarHBondContact O-CG 3.49Å |
| 376 | E | 97.3 | Very high | 98.3 | Very high | 54 Ų | 54 | 34.3 Ų | 34.3 | 25% | 0.252 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | -0.4 | 179.2 | -60.4 | -152.6 | 132.9 | 0 | 0 | 113.4 | K62 K65 N66 D373 Q374 | K62-E376 IonicContact NZ-OE1 2.65Å; K62-E376 PolarHBondContact NZ-OE1 3.31Å; K65-E376 HydrophobicContact CB-CB 4.18Å; K65-E376 PolarHBondContact N-O 3.4Å; N66-E376 PolarHBondContact N-O 2.83Å; D373-E376 HydrophobicContact CB-CB 4.4Å; D373-E376 CarbonylContact O-C 3.59Å; D373-E376 PolarHBondContact O-N 3.21Å; Q374-E376 VanDerWaalsContact C-N 3.28Å |
| 377 | T | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 118.1 | -172 | -52.1 | 0 | 0 | 0 | 0 | 111.1 | N66 I68 V372 D373 L379 | N66-T377 HydrophobicContact CB-CG2 3.9Å; N66-T377 PolarHBondContact ND2-OG1 2.62Å; N66-T377 VanDerWaalsContact ND2-OG1 3.14Å; N66-T377 WeakPolarHBondContact O-CA 3.33Å; I68-T377 HydrophobicContact CD1-CG2 4.25Å; I68-T377 HydrophobicContact CG1-CG2 4.07Å; V372-T377 HydrophobicContact CB-CG2 4.23Å; V372-T377 HydrophobicContact CG2-CG2 3.93Å; D373-T377 VanDerWaalsContact O-CB 3.26Å; D373-T377 WeakPolarHBondContact O-CB 3.47Å; D373-T377 PolarHBondContact O-N 3.02Å; D373-T377 PolarHBondContact O-OG1 3.37Å; T377-L379 HydrophobicContact CG2-CD1 4.44Å; T377-L379 HydrophobicContact CG2-CG 4.14Å |
| 378 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 116.3 | 168.7 | 172.9 | 60.6 | 0 | 0 | 0 | 108.9 | P64 N66 V67 I68 L380 F476 | P64-L378 HydrophobicContact CB-CB 4.03Å; P64-L378 HydrophobicContact CG-CB 4.2Å; N66-L378 PolarHBondContact O-N 3.01Å; V67-L378 CarbonylContact C-O 3.6Å; V67-L378 VanDerWaalsContact CA-O 3.3Å; V67-L378 WeakPolarHBondContact CA-O 3.39Å; V67-L378 HydrophobicContact CG2-CB 4.16Å; V67-L378 HydrophobicContact CG2-CD2 4.28Å; I68-L378 PolarHBondContact N-O 2.84Å; L378-L380 HydrophobicContact CD1-CD2 3.95Å; L378-L380 HydrophobicContact CD1-CG 4.41Å; L378-L380 HydrophobicContact CG-CD2 4.27Å; L378-L380 HydrophobicContact CG-CG 4.22Å; L378-F476 HydrophobicContact CD1-CE2 4.42Å; L378-F476 HydrophobicContact CD2-CE2 4.15Å |
| 379 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 132 | 175.6 | -60.1 | 118.4 | 0 | 0 | 0 | 109.4 | I68 F70 W105 A368 L369 V372 Q374 T377 A468 N469 | I68-L379 HydrophobicContact CB-CD2 4.48Å; I68-L379 HydrophobicContact CD1-CD2 4.36Å; F70-L379 HydrophobicContact CE2-CD2 4.16Å; W105-L379 HydrophobicContact CH2-CB 3.58Å; W105-L379 HydrophobicContact CZ2-CB 4.25Å; W105-L379 HydrophobicContact CZ3-CB 4Å; A368-L379 HydrophobicContact CB-CD2 4.43Å; L369-L379 HydrophobicContact CD2-CD1 3.86Å; L369-L379 HydrophobicContact CD2-CD2 4.24Å; V372-L379 HydrophobicContact CG2-CD1 4.45Å; V372-L379 HydrophobicContact CG2-CD2 4.39Å; Q374-L379 HydrophobicContact CG-CD1 4.29Å; T377-L379 HydrophobicContact CG2-CD1 4.44Å; T377-L379 HydrophobicContact CG2-CG 4.14Å; L379-A468 WeakPolarHBondContact O-CA 3.13Å; L379-N469 PolarHBondContact N-O 3.27Å; L379-N469 PolarHBondContact O-N 3.31Å |
| 380 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131.5 | 178.4 | -59.4 | 175.5 | 0 | 0 | 0 | 109.5 | I68 L69 F70 L378 Y467 A468 F476 I485 | I68-L380 PolarHBondContact O-N 3.18Å; L69-L380 HydrophobicContact CD1-CB 3.7Å; L69-L380 HydrophobicContact CD1-CD1 4.23Å; F70-L380 WeakPolarHBondContact CB-O 3.45Å; F70-L380 WeakPolarHBondContact CD2-O 3.38Å; F70-L380 PolarHBondContact N-O 3.39Å; L378-L380 HydrophobicContact CD1-CD2 3.95Å; L378-L380 HydrophobicContact CD1-CG 4.41Å; L378-L380 HydrophobicContact CG-CD2 4.27Å; L378-L380 HydrophobicContact CG-CG 4.22Å; L380-Y467 WeakPolarHBondContact CA-O 3.42Å; L380-A468 HydrophobicContact CD2-CB 3.52Å; L380-F476 HydrophobicContact CD1-CE1 4.07Å; L380-F476 HydrophobicContact CD1-CE2 4.09Å; L380-F476 HydrophobicContact CD1-CZ 3.57Å; L380-F476 HydrophobicContact CD2-CD1 4.31Å; L380-F476 HydrophobicContact CD2-CD2 3.67Å; L380-F476 HydrophobicContact CD2-CE1 4.14Å; L380-F476 HydrophobicContact CD2-CE2 3.5Å; L380-F476 VanDerWaalsContact CD2-CE2 3.5Å; L380-F476 HydrophobicContact CD2-CG 4.09Å; L380-F476 HydrophobicContact CD2-CZ 3.73Å; L380-F476 HydrophobicContact CG-CE2 4.42Å; L380-F476 HydrophobicContact CG-CZ 4.32Å; L380-I485 HydrophobicContact CD1-CG2 4.28Å |
| 381 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.9 | 169.9 | 178.6 | 0 | 0 | 0 | 0 | 108 | F70 M75 W102 W105 V365 I466 Y467 | F70-V381 HydrophobicContact CB-CB 4.4Å; F70-V381 HydrophobicContact CB-CG1 4.49Å; F70-V381 HydrophobicContact CB-CG2 3.92Å; F70-V381 HydrophobicContact CD2-CG2 4.07Å; F70-V381 HydrophobicContact CG-CG2 4.25Å; M75-V381 HydrophobicContact CE-CG1 4.09Å; W102-V381 HydrophobicContact CB-CB 4.27Å; W102-V381 HydrophobicContact CB-CG2 4.03Å; W102-V381 HydrophobicContact CD2-CB 4.29Å; W102-V381 HydrophobicContact CD2-CG1 3.75Å; W102-V381 HydrophobicContact CD2-CG2 4.22Å; W102-V381 HydrophobicContact CE3-CB 4.48Å; W102-V381 HydrophobicContact CE3-CG1 3.93Å; W102-V381 HydrophobicContact CE3-CG2 4Å; W102-V381 HydrophobicContact CG-CB 4.19Å; W102-V381 HydrophobicContact CG-CG1 4.05Å; W102-V381 HydrophobicContact CG-CG2 4.25Å; W102-V381 HydrophobicContact CH2-CG1 4.48Å; W102-V381 HydrophobicContact CZ2-CG1 4.34Å; W102-V381 HydrophobicContact CZ3-CG1 4.24Å; W105-V381 HydrophobicContact CH2-CG2 3.51Å; W105-V381 HydrophobicContact CZ2-CG2 4.42Å; W105-V381 HydrophobicContact CZ3-CB 4.27Å; W105-V381 HydrophobicContact CZ3-CG2 3.67Å; V365-V381 HydrophobicContact CG1-CG2 4.27Å; V365-V381 HydrophobicContact CG2-CG2 3.7Å; V381-I466 CarbonylContact O-C 3.53Å; V381-I466 WeakPolarHBondContact O-CA 3.27Å; V381-Y467 HydrophobicContact CB-CD2 4.42Å; V381-Y467 HydrophobicContact CG1-CD2 4.5Å; V381-Y467 PolarHBondContact N-O 2.96Å; V381-Y467 PolarHBondContact O-N 3.21Å |
| 382 | T | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 178.9 | 178 | -172.9 | 0 | 0 | 0 | 0 | 110.3 | L69 F70 I71 G72 P465 I485 | L69-T382 HydrophobicContact CD1-CG2 4.03Å; F70-T382 PolarHBondContact O-N 3.34Å; I71-T382 WeakPolarHBondContact CA-O 3.28Å; I71-T382 HydrophobicContact CD1-CG2 3.5Å; I71-T382 VanDerWaalsContact CD1-CG2 3.5Å; G72-T382 PolarHBondContact N-O 2.89Å; T382-P465 VanDerWaalsContact CA-O 3.31Å; T382-P465 WeakPolarHBondContact CA-O 3.22Å; T382-P465 PolarHBondContact OG1-O 3.07Å; T382-P465 VanDerWaalsContact OG1-O 3.12Å; T382-I485 HydrophobicContact CG2-CD1 4.12Å |
| 383 | A | 98.8 | Very high | 98 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | trans | -110 | 169 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G72 M75 V464 | G72-A383 WeakPolarHBondContact O-CA 3.23Å; G72-A383 WeakPolarHBondContact O-CB 3.45Å; M75-A383 HydrophobicContact CB-CB 3.96Å; M75-A383 VanDerWaalsContact O-CB 3.3Å; M75-A383 WeakPolarHBondContact O-CB 3.42Å; A383-V464 HydrophobicContact CB-CB 3.85Å; A383-V464 HydrophobicContact CB-CG1 3.91Å; A383-V464 HydrophobicContact CB-CG2 4.16Å; A383-V464 WeakPolarHBondContact O-CG2 3.41Å | ||
| 384 | D | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -89.5 | -34.7 | 172.6 | 69.4 | -31.8 | 0 | 0 | 0 | 111.9 | I71 D73 G74 T113 S123 A126 F130 | I71-D384 HydrophobicContact CG2-CB 4.11Å; D73-D384 VanDerWaalsContact CA-OD1 3.29Å; D73-D384 WeakPolarHBondContact CA-OD1 3.33Å; G74-D384 PolarHBondContact N-OD1 2.88Å; T113-D384 VanDerWaalsContact CB-O 3.28Å; T113-D384 WeakPolarHBondContact CB-O 3.17Å; T113-D384 WeakPolarHBondContact CG2-O 3.41Å; S123-D384 VanDerWaalsContact CA-OD2 3.25Å; S123-D384 WeakPolarHBondContact CA-OD2 3.2Å; S123-D384 WeakPolarHBondContact CB-OD2 3.37Å; A126-D384 HydrophobicContact CB-CB 3.75Å; A126-D384 VanDerWaalsContact CB-O 3.31Å; A126-D384 WeakPolarHBondContact CB-O 3.23Å; F130-D384 HydrophobicContact CD1-CB 4.33Å; F130-D384 HydrophobicContact CE1-CB 3.59Å |
| 385 | H | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -156.1 | 171.8 | 170.6 | 57.3 | 75.1 | 0 | 0 | 0 | 112.1 | D73 G74 T121 S123 D343 H459 | D73-H385 IonicContact OD1-CE1 3.35Å; D73-H385 IonicContact OD1-NE2 3.94Å; D73-H385 PolarHBondContact OD1-NE2 2.89Å; G74-H385 CarbonylContact C-O 3.59Å; G74-H385 WeakPolarHBondContact CA-O 3.49Å; T121-H385 HydrophobicContact CG2-CB 3.68Å; S123-H385 PolarHBondContact OG-NE2 2.98Å; D343-H385 IonicContact OD1-CE1 3.14Å; D343-H385 PolarHBondContact OD1-CE1 3.35Å; H385-H459 AromaticContact CD2-CE1 3.71Å; H385-H459 AromaticContact CD2-ND1 3.5Å; H385-H459 AromaticContact CE1-CD2 3.26Å; H385-H459 PolarHBondContact CE1-CD2 3.4Å; H385-H459 AromaticContact CE1-CE1 3.31Å; H385-H459 PolarHBondContact CE1-CE1 3.04Å; H385-H459 AromaticContact CE1-CG 3.32Å; H385-H459 AromaticContact CE1-ND1 3.35Å; H385-H459 PolarHBondContact CE1-ND1 3.34Å; H385-H459 AromaticContact CE1-NE2 3.35Å; H385-H459 PolarHBondContact CE1-NE2 2.85Å; H385-H459 VanDerWaalsContact CE1-NE2 3.35Å; H385-H459 AromaticContact CG-CG 3.91Å; H385-H459 AromaticContact CG-ND1 3.69Å; H385-H459 AromaticContact ND1-CD2 3.74Å; H385-H459 AromaticContact ND1-CG 3.39Å; H385-H459 AromaticContact ND1-ND1 3.59Å; H385-H459 AromaticContact NE2-CD2 3.81Å; H385-H459 AromaticContact NE2-CE1 3.01Å; H385-H459 PolarHBondContact NE2-CE1 3.28Å; H385-H459 AromaticContact NE2-CG 3.72Å; H385-H459 AromaticContact NE2-ND1 3.23Å; H385-H459 PolarHBondContact NE2-ND1 3.45Å; H385-H459 AromaticContact NE2-NE2 3.47Å; H385-H459 PolarHBondContact NE2-NE2 2.68Å | ||
| 386 | S | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 178.4 | 171.3 | -180 | 0 | 0 | 0 | 0 | 111 | S76 H459 S460 E462 | S76-S386 WeakPolarHBondContact CB-OG 3.26Å; S386-H459 WeakPolarHBondContact O-CA 3.44Å; S386-H459 WeakPolarHBondContact O-CB 3.36Å; S386-S460 PolarHBondContact O-N 3.25Å; S386-E462 VanDerWaalsContact OG-CD 3.24Å; S386-E462 WeakPolarHBondContact OG-CG 3.39Å; S386-E462 PolarHBondContact OG-OE1 3Å |
| 387 | H | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 161.9 | -179.7 | -142.7 | -69 | 0 | 0 | 0 | 111.7 | D343 N346 H347 Y389 S457 T458 S460 | D343-H387 IonicContact OD1-CD2 2.73Å; D343-H387 PolarHBondContact OD1-CD2 3.18Å; D343-H387 VanDerWaalsContact OD1-CD2 3.26Å; D343-H387 IonicContact OD1-NE2 2.83Å; D343-H387 PolarHBondContact OD1-NE2 3.01Å; N346-H387 HydrophobicContact CB-CB 4.02Å; N346-H387 VanDerWaalsContact CB-CD2 3.41Å; N346-H387 WeakPolarHBondContact CB-CD2 3.37Å; H347-H387 AromaticContact CE1-NE2 3.82Å; H347-H387 AromaticContact CG-NE2 3.7Å; H347-H387 PolarHBondContact N-NE2 3.15Å; H347-H387 AromaticContact ND1-CE1 3.87Å; H347-H387 AromaticContact ND1-NE2 3.4Å; H347-H387 PolarHBondContact ND1-NE2 2.79Å; H387-Y389 PolarHBondContact O-N 2.9Å; H387-S457 PolarHBondContact CE1-OG 3.19Å; H387-T458 PolarHBondContact CE1-O 3.03Å; H387-T458 VanDerWaalsContact CE1-O 3.31Å; H387-T458 PolarHBondContact ND1-O 2.82Å; H387-S460 WeakPolarHBondContact O-CB 3Å |
| 388 | A | 97.9 | Very high | 98 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -76.8 | 45.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | F421 F422 T458 | A388-F421 CarbonylContact O-C 3.59Å; A388-F421 VanDerWaalsContact O-CA 3.27Å; A388-F421 WeakPolarHBondContact O-CA 3.38Å; A388-F422 HydrophobicContact CB-CB 4.31Å; A388-F422 HydrophobicContact CB-CD2 4.24Å; A388-F422 PolarHBondContact O-N 2.73Å; A388-T458 WeakPolarHBondContact CB-O 3.43Å; A388-T458 PolarHBondContact N-O 3.2Å; A388-T458 VanDerWaalsContact N-O 3.17Å |
| 389 | Y | 98.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.2 | -176.1 | 169.2 | -111 | 0 | 0 | 0 | 111.2 | N78 A351 L355 H387 V391 S419 S420 F421 | N78-Y389 HydrophobicContact CB-CD1 3.8Å; N78-Y389 HydrophobicContact CB-CE1 4.04Å; N78-Y389 WeakPolarHBondContact CB-O 3.42Å; N78-Y389 PolarHBondContact ND2-O 2.94Å; N78-Y389 WeakPolarHBondContact O-CE1 3.17Å; A351-Y389 HydrophobicContact CB-CE2 4.21Å; L355-Y389 HydrophobicContact CD2-CE1 4.19Å; H387-Y389 PolarHBondContact O-N 2.9Å; Y389-V391 HydrophobicContact CE1-CG2 4.15Å; Y389-V391 WeakPolarHBondContact OH-CG2 3.42Å; Y389-S419 PolarHBondContact OH-OG 3.22Å; Y389-S420 WeakPolarHBondContact CA-O 3.21Å; Y389-F421 HydrophobicContact CD2-CD1 4.32Å; Y389-F421 HydrophobicContact CD2-CD2 4.32Å; Y389-F421 AromaticContact CD2-CE1 3.83Å; Y389-F421 HydrophobicContact CD2-CE1 3.83Å; Y389-F421 AromaticContact CD2-CE2 3.84Å; Y389-F421 HydrophobicContact CD2-CE2 3.84Å; Y389-F421 AromaticContact CD2-CZ 3.56Å; Y389-F421 HydrophobicContact CD2-CZ 3.56Å; Y389-F421 HydrophobicContact CE2-CE2 4.32Å; Y389-F421 HydrophobicContact CE2-CZ 4.27Å; Y389-F421 HydrophobicContact CG-CE1 4.15Å; Y389-F421 HydrophobicContact CG-CZ 4.25Å |
| 390 | G | 98.2 | Very high | 97.8 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 148.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S420 | G390-S420 PolarHBondContact N-O 2.73Å; G390-S420 PolarHBondContact O-N 3.27Å |
| 391 | V | 97.9 | Very high | 97.8 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 19% | 0.194 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 110.5 | 163.4 | -179 | 0 | 0 | 0 | 0 | 107.5 | N78 T81 Y85 Y389 V401 I418 | N78-V391 PolarHBondContact OD1-N 3.39Å; T81-V391 HydrophobicContact CG2-CB 4.44Å; T81-V391 HydrophobicContact CG2-CG2 4.32Å; Y85-V391 HydrophobicContact CD2-CG1 4.09Å; Y85-V391 HydrophobicContact CE2-CG1 3.87Å; Y389-V391 HydrophobicContact CE1-CG2 4.15Å; Y389-V391 WeakPolarHBondContact OH-CG2 3.42Å; V391-V401 HydrophobicContact CG1-CG2 4.01Å; V391-V401 HydrophobicContact CG2-CG2 4.16Å; V391-I418 CarbonylContact C-O 3.55Å; V391-I418 WeakPolarHBondContact CA-O 3.27Å; V391-I418 HydrophobicContact CG1-CG2 3.81Å |
| 392 | V | 97 | Very high | 97.7 | Very high | 54 Ų | 54 | 33.3 Ų | 33.3 | 33% | 0.327 | 18% | 0.18 | S | C | . | . | trans | -125.6 | 170.5 | -165.9 | -57.6 | 0 | 0 | 0 | 0 | 113.1 | I418 | V392-I418 PolarHBondContact N-O 2.77Š| ||
| 393 | G | 96.6 | Very high | 97.7 | Very high | 33 Ų | 33 | 34.4 Ų | 34.4 | 34% | 0.34 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 90.2 | -165.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D405 | G393-D405 VanDerWaalsContact CA-OD2 3.31Å; G393-D405 WeakPolarHBondContact CA-OD2 3.38Å |
| 394 | H | 97 | Very high | 97.6 | Very high | 157 Ų | 157 | 34.5 Ų | 34.5 | 73% | 0.727 | 19% | 0.186 | S | C | * | . | trans | -123.8 | 39.2 | 174.1 | -59.3 | -63.8 | 0 | 0 | 0 | 112.8 | D405 T407 | H394-D405 PolarHBondContact N-OD2 3.04Å; H394-T407 WeakPolarHBondContact O-CG2 3.39Å; H394-T407 PolarHBondContact O-OG1 3.14Å | ||
| 395 | P | 97.4 | Very high | 97.6 | Very high | 40 Ų | 40 | 34.7 Ų | 34.7 | 26% | 0.26 | 19% | 0.187 | S | C | . | . | trans | -59.2 | 151.3 | -176 | 29.2 | -38.3 | 0 | 0 | 0 | 112.2 | I399 D405 I418 | P395-I399 HydrophobicContact CB-CG2 3.73Å; P395-D405 WeakPolarHBondContact CD-OD2 3.47Å; P395-I418 HydrophobicContact CB-CD1 3.46Å; P395-I418 VanDerWaalsContact CB-CD1 3.46Å; P395-I418 HydrophobicContact CB-CG1 3.86Å; P395-I418 HydrophobicContact CG-CD1 3.78Å; P395-I418 HydrophobicContact CG-CG1 3.83Å; P395-I418 HydrophobicContact CG-CG2 4.09Å | ||
| 396 | T | 97.8 | Very high | 97.6 | Very high | 52 Ų | 52 | 38.7 Ų | 38.7 | 32% | 0.319 | 21% | 0.209 | S | C | . | . | trans | -67.4 | 149.1 | 173.2 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | N398 I399 N406 T407 | T396-N398 VanDerWaalsContact CB-OD1 3.28Å; T396-N398 WeakPolarHBondContact CB-OD1 3.37Å; T396-N398 PolarHBondContact O-N 3.46Å; T396-N398 PolarHBondContact OG1-OD1 3.35Å; T396-I399 VanDerWaalsContact O-CG2 3.23Å; T396-I399 WeakPolarHBondContact O-CG2 3.49Å; T396-I399 PolarHBondContact O-N 3.18Å; T396-N406 PolarHBondContact N-OD1 2.97Å; T396-N406 VanDerWaalsContact N-OD1 3.11Å; T396-N406 PolarHBondContact OG1-ND2 3.17Å; T396-N406 PolarHBondContact OG1-OD1 3.41Å; T396-T407 HydrophobicContact CG2-CG2 3.88Å | ||
| 397 | R | 96.7 | Very high | 97.6 | Very high | 128 Ų | 128 | 42.2 Ų | 42.2 | 48% | 0.483 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -16.2 | -175.7 | -62.3 | -179.7 | 63.3 | -150.9 | -4.3 | 115.9 | L94 G95 D97 | L94-R397 HydrophobicContact CB-CB 4.32Å; G95-R397 PolarHBondContact N-O 3.44Å; G95-R397 VanDerWaalsContact O-CZ 3.31Å; G95-R397 PolarHBondContact O-NE 3.26Å; G95-R397 PolarHBondContact O-NH2 3.44Å; D97-R397 IonicContact OD1-CZ 3.37Å; D97-R397 IonicContact OD1-NH1 2.89Å; D97-R397 IonicContact OD1-NH2 2.85Å; D97-R397 PolarHBondContact OD1-NH2 3.16Å; D97-R397 IonicContact OD2-NH2 2.69Å |
| 398 | N | 95.8 | Very high | 97.5 | Very high | 123 Ų | 123 | 44 Ų | 44 | 66% | 0.658 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 8.3 | -177.5 | 66.5 | -40.5 | 0 | 0 | 0 | 113.9 | L94 T396 | L94-N398 HydrophobicContact CD2-CB 3.68Å; T396-N398 VanDerWaalsContact CB-OD1 3.28Å; T396-N398 WeakPolarHBondContact CB-OD1 3.37Å; T396-N398 PolarHBondContact O-N 3.46Å; T396-N398 PolarHBondContact OG1-OD1 3.35Å |
| 399 | I | 96.8 | Very high | 97.4 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 20% | 0.2 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -100 | 152.2 | 177.4 | -158.2 | 165.8 | 0 | 0 | 0 | 111.1 | P395 T396 D403 V404 N406 I418 | P395-I399 HydrophobicContact CB-CG2 3.73Å; T396-I399 VanDerWaalsContact O-CG2 3.23Å; T396-I399 WeakPolarHBondContact O-CG2 3.49Å; T396-I399 PolarHBondContact O-N 3.18Å; I399-D403 HydrophobicContact CD1-CB 3.94Å; I399-D403 HydrophobicContact CG1-CB 3.74Å; I399-V404 WeakPolarHBondContact CD1-O 3.17Å; I399-N406 HydrophobicContact CD1-CB 3.64Å; I399-I418 HydrophobicContact CG2-CD1 3.56Å |
| 400 | S | 97.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | trans | -64.6 | 141 | 173.6 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | E89 L402 D403 I418 | E89-S400 WeakPolarHBondContact OE2-CA 3.35Å; E89-S400 WeakPolarHBondContact OE2-CB 3.37Å; E89-S400 PolarHBondContact OE2-OG 2.97Å; S400-L402 PolarHBondContact O-N 3.27Å; S400-L402 PolarHBondContact OG-N 3.11Å; S400-D403 WeakPolarHBondContact O-CB 3.16Å; S400-D403 PolarHBondContact O-N 3.13Å; S400-I418 WeakPolarHBondContact O-CD1 3.25Å | ||
| 401 | V | 97.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -14 | 173.2 | 72.4 | 0 | 0 | 0 | 0 | 113.2 | Y85 L86 L355 V391 I418 S419 | Y85-V401 HydrophobicContact CD2-CB 4.38Å; Y85-V401 HydrophobicContact CD2-CG2 3.91Å; L86-V401 HydrophobicContact CB-CG1 4.16Å; L355-V401 HydrophobicContact CD1-CG1 3.7Å; V391-V401 HydrophobicContact CG1-CG2 4.01Å; V391-V401 HydrophobicContact CG2-CG2 4.16Å; V401-I418 HydrophobicContact CG2-CG2 3.89Å; V401-S419 WeakPolarHBondContact O-CB 3.48Å; V401-S419 PolarHBondContact O-N 2.88Å; V401-S419 PolarHBondContact O-OG 3.21Å |
| 402 | L | 98 | Very high | 97.2 | Very high | 11 Ų | 11 | 60.5 Ų | 60.5 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -6.7 | 175.2 | -58.4 | 175.9 | 0 | 0 | 0 | 112.5 | L86 A351 Q352 L355 S400 F442 | L86-L402 HydrophobicContact CD1-CD1 4.1Å; A351-L402 HydrophobicContact CB-CD2 3.93Å; Q352-L402 HydrophobicContact CB-CD1 3.86Å; Q352-L402 HydrophobicContact CB-CD2 4.13Å; Q352-L402 HydrophobicContact CG-CD1 3.66Å; L355-L402 HydrophobicContact CD1-CD2 4.11Å; S400-L402 PolarHBondContact O-N 3.27Å; S400-L402 PolarHBondContact OG-N 3.11Å; L402-F442 HydrophobicContact CB-CD1 4.4Å; L402-F442 HydrophobicContact CB-CE1 4.33Å |
| 403 | D | 97.9 | Very high | 97.2 | Very high | 24 Ų | 24 | 63.6 Ų | 63.6 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -84.2 | -178.6 | -179.9 | -146.8 | -26.4 | 0 | 0 | 0 | 111.7 | I399 S400 I418 R441 F442 | I399-D403 HydrophobicContact CD1-CB 3.94Å; I399-D403 HydrophobicContact CG1-CB 3.74Å; S400-D403 WeakPolarHBondContact O-CB 3.16Å; S400-D403 PolarHBondContact O-N 3.13Å; D403-I418 HydrophobicContact CB-CD1 4.48Å; D403-I418 PolarHBondContact O-N 3.44Å; D403-R441 IonicContact OD1-CZ 3.97Å; D403-R441 IonicContact OD1-NE 3.88Å; D403-R441 PolarHBondContact OD1-NE 3.2Å; D403-R441 IonicContact OD1-NH2 3.56Å; D403-R441 PolarHBondContact OD1-NH2 3.44Å; D403-R441 IonicContact OD2-NH2 2.85Å; D403-F442 HydrophobicContact CB-CZ 4.09Å |
| 404 | V | 98.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -85.1 | 159 | 167.7 | -52.3 | 0 | 0 | 0 | 0 | 111.3 | I399 N406 Y416 L417 P436 E437 | I399-V404 WeakPolarHBondContact CD1-O 3.17Å; V404-N406 PolarHBondContact O-N 2.9Å; V404-Y416 CarbonylContact C-O 3.23Å; V404-Y416 WeakPolarHBondContact CA-O 3.41Å; V404-Y416 WeakPolarHBondContact CB-O 3.3Å; V404-L417 HydrophobicContact CG1-CD2 4.25Å; V404-P436 HydrophobicContact CG1-CB 3.93Å; V404-P436 HydrophobicContact CG1-CG 3.77Å; V404-E437 WeakPolarHBondContact CG2-OE2 3.48Å |
| 405 | D | 98.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | trans | -63.1 | 120.7 | 170 | -167.9 | -44.4 | 0 | 0 | 0 | 110.5 | G393 H394 P395 T407 A408 Y416 | G393-D405 VanDerWaalsContact CA-OD2 3.31Å; G393-D405 WeakPolarHBondContact CA-OD2 3.38Å; H394-D405 PolarHBondContact N-OD2 3.04Å; P395-D405 WeakPolarHBondContact CD-OD2 3.47Å; D405-T407 WeakPolarHBondContact OD1-CA 3.29Å; D405-T407 WeakPolarHBondContact OD1-CB 3.03Å; D405-T407 PolarHBondContact OD1-N 3.47Å; D405-T407 PolarHBondContact OD1-OG1 2.92Å; D405-A408 PolarHBondContact OD1-N 2.86Å; D405-Y416 HydrophobicContact CB-CD2 4.12Å; D405-Y416 HydrophobicContact CB-CE1 4.19Å; D405-Y416 HydrophobicContact CB-CE2 3.55Å; D405-Y416 PolarHBondContact N-O 3.35Å; D405-Y416 PolarHBondContact OD2-OH 2.93Å; D405-Y416 VanDerWaalsContact OD2-OH 3.04Å | ||
| 406 | N | 97.6 | Very high | 97.3 | Very high | 83 Ų | 83 | 58.2 Ų | 58.2 | 44% | 0.444 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -90.8 | 3 | -178.7 | 68.2 | -28.2 | 0 | 0 | 0 | 114.4 | T396 I399 V404 | T396-N406 PolarHBondContact N-OD1 2.97Å; T396-N406 VanDerWaalsContact N-OD1 3.11Å; T396-N406 PolarHBondContact OG1-ND2 3.17Å; T396-N406 PolarHBondContact OG1-OD1 3.41Å; I399-N406 HydrophobicContact CD1-CB 3.64Å; V404-N406 PolarHBondContact O-N 2.9Å |
| 407 | T | 98 | Very high | 97.3 | Very high | 74 Ų | 74 | 56.4 Ų | 56.4 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -106.3 | -24.9 | -177.6 | 71.4 | 0 | 0 | 0 | 0 | 112.8 | H394 T396 D405 | H394-T407 WeakPolarHBondContact O-CG2 3.39Å; H394-T407 PolarHBondContact O-OG1 3.14Å; T396-T407 HydrophobicContact CG2-CG2 3.88Å; D405-T407 WeakPolarHBondContact OD1-CA 3.29Å; D405-T407 WeakPolarHBondContact OD1-CB 3.03Å; D405-T407 PolarHBondContact OD1-N 3.47Å; D405-T407 PolarHBondContact OD1-OG1 2.92Å |
| 408 | A | 96.3 | Very high | 97.3 | Very high | 41 Ų | 41 | 50.4 Ų | 50.4 | 34% | 0.339 | 27% | 0.273 | S | S | . | . | trans | -149.4 | 156 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D405 Y416 | D405-A408 PolarHBondContact OD1-N 2.86Å; A408-Y416 HydrophobicContact CB-CE1 4.46Å; A408-Y416 WeakPolarHBondContact O-CE1 3.35Å | ||
| 409 | K | 97.5 | Very high | 97.5 | Very high | 105 Ų | 105 | 44.8 Ų | 44.8 | 46% | 0.457 | 24% | 0.243 | S | C | . | . | trans | -115.2 | 164.6 | 169.2 | -69.5 | -171.1 | 169.4 | -161.4 | 0 | 109.8 | N413 | K409-N413 WeakPolarHBondContact CD-O 3.41Š| ||
| 410 | G | 96 | Very high | 97.5 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 24% | 0.237 | 25% | 0.246 | C | C | . | . | trans | -67.6 | 165 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D412 N413 K414 | G410-D412 PolarHBondContact O-N 3.31Å; G410-D412 VanDerWaalsContact O-N 3.09Å; G410-N413 WeakPolarHBondContact O-CA 3.31Å; G410-N413 PolarHBondContact O-N 3.3Å; G410-K414 PolarHBondContact N-O 3.35Å | ||
| 411 | D | 96.6 | Very high | 97.5 | Very high | 187 Ų | 187 | 44.4 Ų | 44.4 | 100% | 1 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.9 | 179.2 | -68.5 | -22.8 | 0 | 0 | 0 | 113.6 | N413 | D411-N413 PolarHBondContact O-N 3.01Š|
| 412 | D | 95.8 | Very high | 97.5 | Very high | 72 Ų | 72 | 50.3 Ų | 50.3 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 9 | 172 | 65.4 | -14 | 0 | 0 | 0 | 113.6 | G410 K414 R433 | G410-D412 PolarHBondContact O-N 3.31Å; G410-D412 VanDerWaalsContact O-N 3.09Å; D412-K414 PolarHBondContact O-N 3.31Å; D412-K414 PolarHBondContact OD1-N 3.23Å; D412-R433 IonicContact OD1-CZ 3.72Å; D412-R433 IonicContact OD1-NE 3.86Å; D412-R433 IonicContact OD1-NH2 3.26Å; D412-R433 PolarHBondContact OD1-NH2 2.85Å; D412-R433 IonicContact OD2-CZ 3.78Å; D412-R433 IonicContact OD2-NE 2.77Å; D412-R433 PolarHBondContact OD2-NE 2.71Å; D412-R433 IonicContact OD2-NH2 3.44Å; D412-R433 PolarHBondContact OD2-NH2 3.17Å |
| 413 | N | 97.4 | Very high | 97.5 | Very high | 120 Ų | 120 | 51.1 Ų | 51.1 | 64% | 0.642 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 60.8 | 26.1 | -179.6 | -165.8 | 37.9 | 0 | 0 | 0 | 114.5 | K409 G410 D411 | K409-N413 WeakPolarHBondContact CD-O 3.41Å; G410-N413 WeakPolarHBondContact O-CA 3.31Å; G410-N413 PolarHBondContact O-N 3.3Å; D411-N413 PolarHBondContact O-N 3.01Å |
| 414 | K | 97.8 | Very high | 97.5 | Very high | 51 Ų | 51 | 50 Ų | 50 | 22% | 0.222 | 27% | 0.267 | C | S | . | . | trans | -108.4 | 147.8 | 173.4 | -63.2 | 176 | -170.7 | 160.1 | 0 | 111.1 | G410 D412 R433 D435 | G410-K414 PolarHBondContact N-O 3.35Å; D412-K414 PolarHBondContact O-N 3.31Å; D412-K414 PolarHBondContact OD1-N 3.23Å; K414-R433 HydrophobicContact CD-CG 4.23Å; K414-R433 WeakPolarHBondContact CD-O 3.38Å; K414-R433 WeakPolarHBondContact CE-O 3.48Å; K414-R433 PolarHBondContact NZ-O 3.16Å; K414-R433 PolarHBondContact O-NH2 2.86Å; K414-D435 HydrophobicContact CB-CB 4.04Å; K414-D435 HydrophobicContact CD-CB 4.31Å; K414-D435 HydrophobicContact CG-CB 4.01Å | ||
| 415 | S | 98 | Very high | 97.5 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | trans | -68.1 | 166 | 176.8 | -35.8 | 0 | 0 | 0 | 0 | 110.5 | R433 D435 P436 E437 | S415-R433 PolarHBondContact O-NH1 3.35Å; S415-D435 WeakPolarHBondContact CB-OD1 3.24Å; S415-D435 PolarHBondContact N-OD1 2.8Å; S415-D435 PolarHBondContact OG-OD1 3.32Å; S415-P436 WeakPolarHBondContact O-CD 3.46Å; S415-P436 WeakPolarHBondContact O-CG 3.1Å; S415-E437 WeakPolarHBondContact OG-CB 3.49Å | ||
| 416 | Y | 96.9 | Very high | 97.4 | Very high | 60 Ų | 60 | 53.6 Ų | 53.6 | 24% | 0.235 | 28% | 0.281 | C | S | . | . | trans | -140.3 | 145.2 | 174.6 | 58 | -89.7 | 0 | 0 | 0 | 110 | V404 D405 A408 | V404-Y416 CarbonylContact C-O 3.23Å; V404-Y416 WeakPolarHBondContact CA-O 3.41Å; V404-Y416 WeakPolarHBondContact CB-O 3.3Å; D405-Y416 HydrophobicContact CB-CD2 4.12Å; D405-Y416 HydrophobicContact CB-CE1 4.19Å; D405-Y416 HydrophobicContact CB-CE2 3.55Å; D405-Y416 PolarHBondContact N-O 3.35Å; D405-Y416 PolarHBondContact OD2-OH 2.93Å; D405-Y416 VanDerWaalsContact OD2-OH 3.04Å; A408-Y416 HydrophobicContact CB-CE1 4.46Å; A408-Y416 WeakPolarHBondContact O-CE1 3.35Å | ||
| 417 | L | 98.1 | Very high | 97.2 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -69.2 | 140.4 | -176.8 | -66.4 | 163.9 | 0 | 0 | 0 | 111 | V404 S419 S420 P436 R441 Y446 A448 | V404-L417 HydrophobicContact CG1-CD2 4.25Å; L417-S419 WeakPolarHBondContact CB-O 3.47Å; L417-S420 PolarHBondContact O-OG 3.26Å; L417-P436 HydrophobicContact CD1-CB 4.34Å; L417-P436 HydrophobicContact CD2-CB 3.81Å; L417-P436 HydrophobicContact CD2-CG 4.48Å; L417-P436 HydrophobicContact CG-CB 3.77Å; L417-P436 HydrophobicContact CG-CG 4.11Å; L417-R441 HydrophobicContact CD2-CB 4.25Å; L417-Y446 HydrophobicContact CD1-CE1 3.73Å; L417-Y446 HydrophobicContact CD2-CE1 4.2Å; L417-A448 HydrophobicContact CD1-CB 3.63Å |
| 418 | I | 98.2 | Very high | 96.8 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.015 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -66 | -44.8 | 171.2 | -63.7 | 164.4 | 0 | 0 | 0 | 109.4 | V391 V392 P395 I399 S400 V401 D403 S420 | V391-I418 CarbonylContact C-O 3.55Å; V391-I418 WeakPolarHBondContact CA-O 3.27Å; V391-I418 HydrophobicContact CG1-CG2 3.81Å; V392-I418 PolarHBondContact N-O 2.77Å; P395-I418 HydrophobicContact CB-CD1 3.46Å; P395-I418 VanDerWaalsContact CB-CD1 3.46Å; P395-I418 HydrophobicContact CB-CG1 3.86Å; P395-I418 HydrophobicContact CG-CD1 3.78Å; P395-I418 HydrophobicContact CG-CG1 3.83Å; P395-I418 HydrophobicContact CG-CG2 4.09Å; I399-I418 HydrophobicContact CG2-CD1 3.56Å; S400-I418 WeakPolarHBondContact O-CD1 3.25Å; V401-I418 HydrophobicContact CG2-CG2 3.89Å; D403-I418 HydrophobicContact CB-CD1 4.48Å; D403-I418 PolarHBondContact O-N 3.44Å; I418-S420 PolarHBondContact O-N 3.38Å |
| 419 | S | 98.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.028 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 100.7 | 171.3 | -77 | 0 | 0 | 0 | 0 | 110.8 | Y389 V401 L417 | Y389-S419 PolarHBondContact OH-OG 3.22Å; V401-S419 WeakPolarHBondContact O-CB 3.48Å; V401-S419 PolarHBondContact O-N 2.88Å; V401-S419 PolarHBondContact O-OG 3.21Å; L417-S419 WeakPolarHBondContact CB-O 3.47Å |
| 420 | S | 97.5 | Very high | 96 | Very high | 36 Ų | 36 | 56.3 Ų | 56.3 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 151.4 | -171.8 | -80.2 | 0 | 0 | 0 | 0 | 113.3 | Y389 G390 L417 I418 | Y389-S420 WeakPolarHBondContact CA-O 3.21Å; G390-S420 PolarHBondContact N-O 2.73Å; G390-S420 PolarHBondContact O-N 3.27Å; L417-S420 PolarHBondContact O-OG 3.26Å; I418-S420 PolarHBondContact O-N 3.38Å |
| 421 | F | 98 | Very high | 95.7 | Very high | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.035 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 135.4 | 179.3 | -67.4 | -96.4 | 0 | 0 | 0 | 112.3 | N346 N349 A351 A388 Y389 A448 S450 | N346-F421 HydrophobicContact CB-CE1 4.26Å; N346-F421 WeakPolarHBondContact O-CE1 3.49Å; N349-F421 HydrophobicContact CB-CB 4.38Å; N349-F421 HydrophobicContact CB-CD1 4.31Å; N349-F421 HydrophobicContact CB-CD2 3.81Å; N349-F421 HydrophobicContact CB-CE2 4.11Å; N349-F421 HydrophobicContact CB-CG 3.91Å; N349-F421 VanDerWaalsContact OD1-CD1 3.31Å; N349-F421 WeakPolarHBondContact OD1-CD1 3.47Å; N349-F421 WeakPolarHBondContact OD1-CG 3.45Å; A351-F421 HydrophobicContact CB-CE2 4.11Å; A351-F421 HydrophobicContact CB-CZ 4.32Å; A388-F421 CarbonylContact O-C 3.59Å; A388-F421 VanDerWaalsContact O-CA 3.27Å; A388-F421 WeakPolarHBondContact O-CA 3.38Å; Y389-F421 HydrophobicContact CD2-CD1 4.32Å; Y389-F421 HydrophobicContact CD2-CD2 4.32Å; Y389-F421 AromaticContact CD2-CE1 3.83Å; Y389-F421 HydrophobicContact CD2-CE1 3.83Å; Y389-F421 AromaticContact CD2-CE2 3.84Å; Y389-F421 HydrophobicContact CD2-CE2 3.84Å; Y389-F421 AromaticContact CD2-CZ 3.56Å; Y389-F421 HydrophobicContact CD2-CZ 3.56Å; Y389-F421 HydrophobicContact CE2-CE2 4.32Å; Y389-F421 HydrophobicContact CE2-CZ 4.27Å; Y389-F421 HydrophobicContact CG-CE1 4.15Å; Y389-F421 HydrophobicContact CG-CZ 4.25Å; F421-A448 HydrophobicContact CD2-CB 3.84Å; F421-A448 HydrophobicContact CE2-CB 4.24Å; F421-S450 WeakPolarHBondContact O-CA 3.46Å; F421-S450 WeakPolarHBondContact O-CB 3.28Å |
| 422 | F | 97.3 | Very high | 95.5 | Very high | 128 Ų | 128 | 54.4 Ų | 54.4 | 56% | 0.561 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -33.3 | -178.8 | -59.3 | -68.8 | 0 | 0 | 0 | 113.1 | A388 L451 V452 | A388-F422 HydrophobicContact CB-CB 4.31Å; A388-F422 HydrophobicContact CB-CD2 4.24Å; A388-F422 PolarHBondContact O-N 2.73Å; F422-L451 WeakPolarHBondContact O-CB 3.45Å; F422-L451 PolarHBondContact O-N 3.47Å; F422-V452 PolarHBondContact O-N 3.17Å; F422-V452 VanDerWaalsContact O-N 3.17Å |
| 423 | N | 98.2 | Very high | 95.4 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 14% | 0.144 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 164.4 | 177 | 66 | 52 | 0 | 0 | 0 | 110 | N349 V452 L454 S457 T458 | N349-N423 PolarHBondContact OD1-O 3.12Å; N423-V452 CarbonylContact C-O 3.57Å; N423-V452 VanDerWaalsContact CA-O 3.24Å; N423-V452 WeakPolarHBondContact CA-O 3.2Å; N423-V452 HydrophobicContact CB-CB 3.81Å; N423-V452 WeakPolarHBondContact CB-O 3.25Å; N423-L454 HydrophobicContact CB-CD1 3.96Å; N423-S457 WeakPolarHBondContact O-CB 3.31Å; N423-S457 PolarHBondContact O-OG 3Å; N423-S457 WeakPolarHBondContact OD1-CA 3.22Å; N423-S457 PolarHBondContact OD1-OG 3.26Å; N423-T458 PolarHBondContact ND2-OG1 3.17Å; N423-T458 PolarHBondContact OD1-N 3.33Å; N423-T458 PolarHBondContact OD1-OG1 3.17Å |
| 424 | G | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.6 | -160.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S450 V452 L454 | G424-S450 PolarHBondContact N-OG 3.45Å; G424-S450 PolarHBondContact O-OG 2.67Å; G424-V452 PolarHBondContact N-O 2.78Å; G424-L454 CarbonylContact C-O 3.58Å; G424-L454 VanDerWaalsContact C-O 3.23Å; G424-L454 PolarHBondContact O-N 2.04Å; G424-L454 VanDerWaalsContact O-O 3.05Å |
| 425 | P | 97.9 | Very high | 95.2 | Very high | 13 Ų | 13 | 49 Ų | 49 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 160.6 | 172.4 | -23.4 | 33.9 | 0 | 0 | 0 | 112.1 | H347 N349 G427 T447 S450 L454 S455 | H347-P425 WeakPolarHBondContact O-CD 3.36Å; N349-P425 PolarHBondContact ND2-O 3.31Å; P425-G427 PolarHBondContact O-N 3.06Å; P425-T447 HydrophobicContact CB-CG2 3.87Å; P425-S450 PolarHBondContact O-OG 3.33Å; P425-L454 WeakPolarHBondContact CA-O 3.14Å; P425-S455 WeakPolarHBondContact CG-O 3.4Å |
| 426 | R | 95.5 | Very high | 95.1 | Very high | 71 Ų | 71 | 49.1 Ų | 49.1 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 14.1 | -178.1 | -71.5 | -171.4 | 66.4 | 178.6 | 2.7 | 115.9 | I428 E439 T447 E449 R453 | R426-I428 PolarHBondContact O-N 2.9Å; R426-E439 IonicContact CZ-OE1 3.44Å; R426-E439 IonicContact CZ-OE2 3.47Å; R426-E439 IonicContact NH1-OE2 3.4Å; R426-E439 PolarHBondContact NH1-OE2 3.38Å; R426-E439 VanDerWaalsContact NH2-CD 3.33Å; R426-E439 IonicContact NH2-OE1 2.81Å; R426-E439 PolarHBondContact NH2-OE1 3.23Å; R426-E439 IonicContact NH2-OE2 3.46Å; R426-E439 PolarHBondContact NH2-OE2 3.03Å; R426-T447 HydrophobicContact CB-CG2 3.99Å; R426-T447 WeakPolarHBondContact CD-O 3.25Å; R426-T447 HydrophobicContact CG-CG2 3.61Å; R426-T447 PolarHBondContact NH1-O 3.49Å; R426-E449 HydrophobicContact CB-CG 4.41Å; R426-E449 IonicContact CZ-OE1 3.41Å; R426-E449 IonicContact NH2-OE1 3.54Å; R426-E449 PolarHBondContact NH2-OE1 3.26Å; R426-R453 VanDerWaalsContact N-NH1 3.2Å |
| 427 | G | 94.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | trans | -56.4 | 134.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P425 S450 R453 | P425-G427 PolarHBondContact O-N 3.06Å; G427-S450 VanDerWaalsContact CA-O 3.26Å; G427-S450 WeakPolarHBondContact CA-O 3.39Å; G427-S450 PolarHBondContact N-OG 2.65Å; G427-R453 VanDerWaalsContact O-CD 3.29Å; G427-R453 WeakPolarHBondContact O-CD 3.36Å; G427-R453 PolarHBondContact O-NH1 2.69Å; G427-R453 VanDerWaalsContact O-NH1 3.16Å | ||
| 428 | I | 88.2 | Confident | 95.1 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | trans | -92 | 133.6 | -167.9 | -52 | 179 | 0 | 0 | 0 | 109.3 | R426 A431 R433 E449 | R426-I428 PolarHBondContact O-N 2.9Å; I428-A431 HydrophobicContact CG2-CB 3.75Å; I428-A431 VanDerWaalsContact CG2-O 3.23Å; I428-A431 WeakPolarHBondContact CG2-O 2.98Å; I428-R433 HydrophobicContact CD1-CB 3.61Å; I428-E449 WeakPolarHBondContact CD1-OE2 3.16Å | ||
| 429 | L | 89.8 | Confident | 95 | Very high | 126 Ų | 126 | 57 Ų | 57 | 66% | 0.66 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -109.5 | 120.6 | 176 | -57.8 | 176.8 | 0 | 0 | 0 | 107.5 | A431 R453 | L429-A431 PolarHBondContact O-N 3.19Å; L429-R453 HydrophobicContact CD2-CB 4Å; L429-R453 HydrophobicContact CD2-CG 4.41Å; L429-R453 HydrophobicContact CG-CB 4.48Å; L429-R453 HydrophobicContact CG-CG 4.46Å |
| 430 | D | 88.5 | Confident | 95 | Very high | 178 Ų | 178 | 62.3 Ų | 62.3 | 95% | 0.952 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 54 | 29.5 | 169.5 | -52.1 | -46.5 | 0 | 0 | 0 | 116.3 | ||
| 431 | A | 89.6 | Confident | 94.9 | Very high | 60 Ų | 60 | 61.8 Ų | 61.8 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -140.9 | 154.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I428 L429 | I428-A431 HydrophobicContact CG2-CB 3.75Å; I428-A431 VanDerWaalsContact CG2-O 3.23Å; I428-A431 WeakPolarHBondContact CG2-O 2.98Å; L429-A431 PolarHBondContact O-N 3.19Å |
| 432 | P | 91.5 | Very high | 94.9 | Very high | 110 Ų | 110 | 65.6 Ų | 65.6 | 71% | 0.714 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 149 | 170.1 | 30.2 | -34.8 | 0 | 0 | 0 | 110.3 | ||
| 433 | R | 94.3 | Very high | 94.9 | Very high | 70 Ų | 70 | 60.5 Ų | 60.5 | 26% | 0.264 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 152.9 | 176.8 | 70.6 | -175.6 | -171.4 | 96.5 | -10.3 | 114.2 | D412 K414 S415 I428 | D412-R433 IonicContact OD1-CZ 3.72Å; D412-R433 IonicContact OD1-NE 3.86Å; D412-R433 IonicContact OD1-NH2 3.26Å; D412-R433 PolarHBondContact OD1-NH2 2.85Å; D412-R433 IonicContact OD2-CZ 3.78Å; D412-R433 IonicContact OD2-NE 2.77Å; D412-R433 PolarHBondContact OD2-NE 2.71Å; D412-R433 IonicContact OD2-NH2 3.44Å; D412-R433 PolarHBondContact OD2-NH2 3.17Å; K414-R433 HydrophobicContact CD-CG 4.23Å; K414-R433 WeakPolarHBondContact CD-O 3.38Å; K414-R433 WeakPolarHBondContact CE-O 3.48Å; K414-R433 PolarHBondContact NZ-O 3.16Å; K414-R433 PolarHBondContact O-NH2 2.86Å; S415-R433 PolarHBondContact O-NH1 3.35Å; I428-R433 HydrophobicContact CD1-CB 3.61Å |
| 434 | S | 93.2 | Very high | 94.7 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 21% | 0.21 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 168.3 | 172.1 | 74.6 | 0 | 0 | 0 | 0 | 110.9 | E439 E449 | S434-E439 WeakPolarHBondContact CB-OE1 3.47Å; S434-E439 PolarHBondContact OG-OE1 2.85Å; S434-E449 PolarHBondContact N-OE2 3.1Å; S434-E449 PolarHBondContact OG-OE1 3.43Å; S434-E449 PolarHBondContact OG-OE2 3.5Å |
| 435 | D | 96.7 | Very high | 94.6 | Very high | 29 Ų | 29 | 66 Ų | 66 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | trans | -96.2 | 108.4 | 165.2 | -169.4 | -15.5 | 0 | 0 | 0 | 107.9 | K414 S415 E437 T438 | K414-D435 HydrophobicContact CB-CB 4.04Å; K414-D435 HydrophobicContact CD-CB 4.31Å; K414-D435 HydrophobicContact CG-CB 4.01Å; S415-D435 WeakPolarHBondContact CB-OD1 3.24Å; S415-D435 PolarHBondContact N-OD1 2.8Å; S415-D435 PolarHBondContact OG-OD1 3.32Å; D435-E437 PolarHBondContact O-N 2.83Å; D435-E437 VanDerWaalsContact O-N 3.09Å; D435-E437 WeakPolarHBondContact OD1-CB 3.45Å; D435-E437 PolarHBondContact OD1-N 3.48Å; D435-T438 HydrophobicContact CB-CG2 4.11Å; D435-T438 WeakPolarHBondContact O-CB 3.4Å; D435-T438 PolarHBondContact O-N 3.3Å; D435-T438 PolarHBondContact O-OG1 3.37Å | ||
| 436 | P | 97.2 | Very high | 94.6 | Very high | 7 Ų | 7 | 66.7 Ų | 66.7 | 5% | 0.045 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -60.6 | -20 | -178 | 22.9 | -32.5 | 0 | 0 | 0 | 113.4 | V404 S415 L417 T438 E439 | V404-P436 HydrophobicContact CG1-CB 3.93Å; V404-P436 HydrophobicContact CG1-CG 3.77Å; S415-P436 WeakPolarHBondContact O-CD 3.46Å; S415-P436 WeakPolarHBondContact O-CG 3.1Å; L417-P436 HydrophobicContact CD1-CB 4.34Å; L417-P436 HydrophobicContact CD2-CB 3.81Å; L417-P436 HydrophobicContact CD2-CG 4.48Å; L417-P436 HydrophobicContact CG-CB 3.77Å; L417-P436 HydrophobicContact CG-CG 4.11Å; P436-T438 PolarHBondContact O-N 2.93Å; P436-E439 PolarHBondContact O-N 2.84Å; P436-E439 VanDerWaalsContact O-N 3.17Å |
| 437 | E | 97.1 | Very high | 94.8 | Very high | 88 Ų | 88 | 64.6 Ų | 64.6 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -62.4 | -27.4 | 172.9 | -174.4 | 61.1 | -129.5 | 0 | 0 | 112.2 | V404 S415 D435 E439 R441 | V404-E437 WeakPolarHBondContact CG2-OE2 3.48Å; S415-E437 WeakPolarHBondContact OG-CB 3.49Å; D435-E437 PolarHBondContact O-N 2.83Å; D435-E437 VanDerWaalsContact O-N 3.09Å; D435-E437 WeakPolarHBondContact OD1-CB 3.45Å; D435-E437 PolarHBondContact OD1-N 3.48Å; E437-E439 VanDerWaalsContact C-N 3.33Å; E437-R441 VanDerWaalsContact CD-NH2 3.27Å; E437-R441 PolarHBondContact O-NH1 3.24Å; E437-R441 VanDerWaalsContact O-NH1 3.1Å; E437-R441 IonicContact OE1-CZ 2.93Å; E437-R441 IonicContact OE1-NH1 3.78Å; E437-R441 PolarHBondContact OE1-NH1 3.19Å; E437-R441 IonicContact OE1-NH2 3.17Å; E437-R441 PolarHBondContact OE1-NH2 3.23Å; E437-R441 IonicContact OE2-CZ 3.74Å; E437-R441 IonicContact OE2-NH1 3.6Å; E437-R441 IonicContact OE2-NH2 2.97Å; E437-R441 PolarHBondContact OE2-NH2 2.91Å; E437-R441 VanDerWaalsContact OE2-NH2 3.14Å |
| 438 | T | 97.1 | Very high | 94.9 | Very high | 114 Ų | 114 | 64.7 Ų | 64.7 | 70% | 0.699 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -87.7 | -1.8 | 179.9 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | D435 P436 | D435-T438 HydrophobicContact CB-CG2 4.11Å; D435-T438 WeakPolarHBondContact O-CB 3.4Å; D435-T438 PolarHBondContact O-N 3.3Å; D435-T438 PolarHBondContact O-OG1 3.37Å; P436-T438 PolarHBondContact O-N 2.93Å |
| 439 | E | 97.1 | Very high | 95.2 | Very high | 40 Ų | 40 | 64.4 Ų | 64.4 | 19% | 0.187 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -104.9 | 158.4 | -178.4 | -54.8 | -171.9 | 175.5 | 0 | 0 | 111.7 | R426 S434 P436 E437 R441 Y446 | R426-E439 IonicContact CZ-OE1 3.44Å; R426-E439 IonicContact CZ-OE2 3.47Å; R426-E439 IonicContact NH1-OE2 3.4Å; R426-E439 PolarHBondContact NH1-OE2 3.38Å; R426-E439 VanDerWaalsContact NH2-CD 3.33Å; R426-E439 IonicContact NH2-OE1 2.81Å; R426-E439 PolarHBondContact NH2-OE1 3.23Å; R426-E439 IonicContact NH2-OE2 3.46Å; R426-E439 PolarHBondContact NH2-OE2 3.03Å; S434-E439 WeakPolarHBondContact CB-OE1 3.47Å; S434-E439 PolarHBondContact OG-OE1 2.85Å; P436-E439 PolarHBondContact O-N 2.84Å; P436-E439 VanDerWaalsContact O-N 3.17Å; E437-E439 VanDerWaalsContact C-N 3.33Å; E439-R441 PolarHBondContact O-N 3.44Å; E439-Y446 HydrophobicContact CB-CE2 3.82Å; E439-Y446 WeakPolarHBondContact OE2-CE2 3.41Å; E439-Y446 VanDerWaalsContact OE2-CZ 3.24Å; E439-Y446 PolarHBondContact OE2-OH 3.11Å |
| 440 | D | 96.8 | Very high | 95.5 | Very high | 116 Ų | 116 | 58.9 Ų | 58.9 | 62% | 0.62 | 33% | 0.326 | S | S | * | . | trans | -77.9 | 68.2 | 171.8 | -172.9 | 11.7 | 0 | 0 | 0 | 111.1 | F442 A443 Y446 | D440-F442 PolarHBondContact O-N 3.33Å; D440-A443 WeakPolarHBondContact O-CB 3.35Å; D440-A443 PolarHBondContact O-N 3.14Å; D440-Y446 WeakPolarHBondContact O-CD2 3.39Å | ||
| 441 | R | 96.5 | Very high | 95.8 | Very high | 26 Ų | 26 | 57.4 Ų | 57.4 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -12.8 | -175.7 | 65.2 | -168.2 | 173.6 | -89.8 | 9.8 | 115.2 | D403 L417 E437 E439 Y446 | D403-R441 IonicContact OD1-CZ 3.97Å; D403-R441 IonicContact OD1-NE 3.88Å; D403-R441 PolarHBondContact OD1-NE 3.2Å; D403-R441 IonicContact OD1-NH2 3.56Å; D403-R441 PolarHBondContact OD1-NH2 3.44Å; D403-R441 IonicContact OD2-NH2 2.85Å; L417-R441 HydrophobicContact CD2-CB 4.25Å; E437-R441 VanDerWaalsContact CD-NH2 3.27Å; E437-R441 PolarHBondContact O-NH1 3.24Å; E437-R441 VanDerWaalsContact O-NH1 3.1Å; E437-R441 IonicContact OE1-CZ 2.93Å; E437-R441 IonicContact OE1-NH1 3.78Å; E437-R441 PolarHBondContact OE1-NH1 3.19Å; E437-R441 IonicContact OE1-NH2 3.17Å; E437-R441 PolarHBondContact OE1-NH2 3.23Å; E437-R441 IonicContact OE2-CZ 3.74Å; E437-R441 IonicContact OE2-NH1 3.6Å; E437-R441 IonicContact OE2-NH2 2.97Å; E437-R441 PolarHBondContact OE2-NH2 2.91Å; E437-R441 VanDerWaalsContact OE2-NH2 3.14Å; E439-R441 PolarHBondContact O-N 3.44Å; R441-Y446 HydrophobicContact CB-CD1 4.13Å; R441-Y446 HydrophobicContact CB-CD2 4.41Å; R441-Y446 HydrophobicContact CB-CE1 3.93Å; R441-Y446 HydrophobicContact CB-CE2 4.21Å; R441-Y446 HydrophobicContact CB-CG 4.37Å |
| 442 | F | 96.8 | Very high | 96.2 | Very high | 87 Ų | 87 | 58.2 Ų | 58.2 | 38% | 0.382 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -2.1 | 176.7 | -64.8 | -74.8 | 0 | 0 | 0 | 113.4 | Q352 L402 D403 D440 | Q352-F442 PolarHBondContact NE2-O 2.92Å; Q352-F442 PolarHBondContact OE1-O 2.84Å; L402-F442 HydrophobicContact CB-CD1 4.4Å; L402-F442 HydrophobicContact CB-CE1 4.33Å; D403-F442 HydrophobicContact CB-CZ 4.09Å; D440-F442 PolarHBondContact O-N 3.33Å |
| 443 | A | 97.7 | Very high | 96.4 | Very high | 22 Ų | 22 | 59 Ų | 59 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -61.6 | 136 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q352 D440 N445 Y446 | Q352-A443 PolarHBondContact OE1-O 2.8Å; D440-A443 WeakPolarHBondContact O-CB 3.35Å; D440-A443 PolarHBondContact O-N 3.14Å; A443-N445 PolarHBondContact O-N 2.77Å; A443-Y446 WeakPolarHBondContact O-CB 3.43Å; A443-Y446 PolarHBondContact O-N 3.1Å |
| 444 | S | 94.9 | Very high | 96.6 | Very high | 43 Ų | 43 | 58.6 Ų | 58.6 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -35.7 | -176.7 | 62.5 | 0 | 0 | 0 | 0 | 113.5 | Y353 | Y353-S444 WeakPolarHBondContact CD2-O 3.3Å; Y353-S444 WeakPolarHBondContact CE2-O 3.11Å; Y353-S444 VanDerWaalsContact CZ-O 3.26Å; Y353-S444 PolarHBondContact OH-OG 3.35Å |
| 445 | N | 96.3 | Very high | 96.8 | Very high | 98 Ų | 98 | 62.5 Ų | 62.5 | 52% | 0.524 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 14.5 | -179.7 | 69 | -15.1 | 0 | 0 | 0 | 113.6 | Q350 Y353 A443 T447 | Q350-N445 PolarHBondContact NE2-O 2.98Å; Y353-N445 HydrophobicContact CE2-CB 4.04Å; A443-N445 PolarHBondContact O-N 2.77Å; N445-T447 PolarHBondContact O-N 2.98Å |
| 446 | Y | 98.2 | Very high | 96.9 | Very high | 28 Ų | 28 | 64.5 Ų | 64.5 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | trans | -58.6 | 114.1 | 177 | -179.1 | -103.8 | 0 | 0 | 0 | 110.5 | Q350 L417 E439 D440 R441 A443 A448 | Q350-Y446 WeakPolarHBondContact CG-O 3.46Å; L417-Y446 HydrophobicContact CD1-CE1 3.73Å; L417-Y446 HydrophobicContact CD2-CE1 4.2Å; E439-Y446 HydrophobicContact CB-CE2 3.82Å; E439-Y446 WeakPolarHBondContact OE2-CE2 3.41Å; E439-Y446 VanDerWaalsContact OE2-CZ 3.24Å; E439-Y446 PolarHBondContact OE2-OH 3.11Å; D440-Y446 WeakPolarHBondContact O-CD2 3.39Å; R441-Y446 HydrophobicContact CB-CD1 4.13Å; R441-Y446 HydrophobicContact CB-CD2 4.41Å; R441-Y446 HydrophobicContact CB-CE1 3.93Å; R441-Y446 HydrophobicContact CB-CE2 4.21Å; R441-Y446 HydrophobicContact CB-CG 4.37Å; A443-Y446 WeakPolarHBondContact O-CB 3.43Å; A443-Y446 PolarHBondContact O-N 3.1Å; Y446-A448 HydrophobicContact CE1-CB 4.45Å | ||
| 447 | T | 98 | Very high | 96.9 | Very high | 27 Ų | 27 | 64.3 Ų | 64.3 | 17% | 0.166 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 118.8 | 174.8 | -63.6 | 0 | 0 | 0 | 0 | 108.3 | Q348 N349 P425 R426 N445 | Q348-T447 WeakPolarHBondContact O-CG2 3.34Å; N349-T447 HydrophobicContact CB-CG2 4.09Å; P425-T447 HydrophobicContact CB-CG2 3.87Å; R426-T447 HydrophobicContact CB-CG2 3.99Å; R426-T447 WeakPolarHBondContact CD-O 3.25Å; R426-T447 HydrophobicContact CG-CG2 3.61Å; R426-T447 PolarHBondContact NH1-O 3.49Å; N445-T447 PolarHBondContact O-N 2.98Å |
| 448 | A | 97.3 | Very high | 97 | Very high | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.033 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -70 | 144.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N349 L417 F421 Y446 | N349-A448 HydrophobicContact CB-CB 4.35Å; N349-A448 PolarHBondContact ND2-O 3.09Å; N349-A448 PolarHBondContact O-N 3.08Å; L417-A448 HydrophobicContact CD1-CB 3.63Å; F421-A448 HydrophobicContact CD2-CB 3.84Å; F421-A448 HydrophobicContact CE2-CB 4.24Å; Y446-A448 HydrophobicContact CE1-CB 4.45Å |
| 449 | E | 95.6 | Very high | 97.1 | Very high | 49 Ų | 49 | 58.8 Ų | 58.8 | 23% | 0.229 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -67 | 147.8 | 168.5 | -57.1 | -163.6 | 146.6 | 0 | 0 | 110.4 | R426 I428 S434 | R426-E449 HydrophobicContact CB-CG 4.41Å; R426-E449 IonicContact CZ-OE1 3.41Å; R426-E449 IonicContact NH2-OE1 3.54Å; R426-E449 PolarHBondContact NH2-OE1 3.26Å; I428-E449 WeakPolarHBondContact CD1-OE2 3.16Å; S434-E449 PolarHBondContact N-OE2 3.1Å; S434-E449 PolarHBondContact OG-OE1 3.43Å; S434-E449 PolarHBondContact OG-OE2 3.5Å |
| 450 | S | 95.8 | Very high | 97.1 | Very high | 11 Ų | 11 | 58.4 Ų | 58.4 | 8% | 0.077 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 160.5 | 179.8 | 65.3 | 0 | 0 | 0 | 0 | 112 | N349 F421 G424 P425 G427 V452 | N349-S450 WeakPolarHBondContact ND2-CB 3.3Å; F421-S450 WeakPolarHBondContact O-CA 3.46Å; F421-S450 WeakPolarHBondContact O-CB 3.28Å; G424-S450 PolarHBondContact N-OG 3.45Å; G424-S450 PolarHBondContact O-OG 2.67Å; P425-S450 PolarHBondContact O-OG 3.33Å; G427-S450 VanDerWaalsContact CA-O 3.26Å; G427-S450 WeakPolarHBondContact CA-O 3.39Å; G427-S450 PolarHBondContact N-OG 2.65Å; S450-V452 PolarHBondContact OG-O 3.01Å |
| 451 | L | 94.8 | Very high | 97.1 | Very high | 146 Ų | 146 | 55 Ų | 55 | 76% | 0.764 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.3 | -47.3 | 179.1 | 176.6 | 66.8 | 0 | 0 | 0 | 112.6 | F422 | F422-L451 WeakPolarHBondContact O-CB 3.45Å; F422-L451 PolarHBondContact O-N 3.47Å |
| 452 | V | 96.4 | Very high | 97.2 | Very high | 77 Ų | 77 | 57.2 Ų | 57.2 | 47% | 0.467 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 122.5 | -177.8 | -178.5 | 0 | 0 | 0 | 0 | 111 | F422 N423 G424 S450 L454 | F422-V452 PolarHBondContact O-N 3.17Å; F422-V452 VanDerWaalsContact O-N 3.17Å; N423-V452 CarbonylContact C-O 3.57Å; N423-V452 VanDerWaalsContact CA-O 3.24Å; N423-V452 WeakPolarHBondContact CA-O 3.2Å; N423-V452 HydrophobicContact CB-CB 3.81Å; N423-V452 WeakPolarHBondContact CB-O 3.25Å; G424-V452 PolarHBondContact N-O 2.78Å; S450-V452 PolarHBondContact OG-O 3.01Å; V452-L454 PolarHBondContact O-N 2.87Å |
| 453 | R | 97.2 | Very high | 97.2 | Very high | 126 Ų | 126 | 55.4 Ų | 55.4 | 48% | 0.475 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 120.6 | 179.2 | -178.1 | 51.4 | 173.6 | -119.3 | 8.6 | 111.7 | R426 G427 L429 | R426-R453 VanDerWaalsContact N-NH1 3.2Å; G427-R453 VanDerWaalsContact O-CD 3.29Å; G427-R453 WeakPolarHBondContact O-CD 3.36Å; G427-R453 PolarHBondContact O-NH1 2.69Å; G427-R453 VanDerWaalsContact O-NH1 3.16Å; L429-R453 HydrophobicContact CD2-CB 4Å; L429-R453 HydrophobicContact CD2-CG 4.41Å; L429-R453 HydrophobicContact CG-CB 4.48Å; L429-R453 HydrophobicContact CG-CG 4.46Å |
| 454 | L | 97.9 | Very high | 97.3 | Very high | 63 Ų | 63 | 54.4 Ų | 54.4 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | trans | -133.5 | 167.3 | 168.5 | -62 | 174.8 | 0 | 0 | 0 | 109.7 | N423 G424 P425 V452 L456 T458 | N423-L454 HydrophobicContact CB-CD1 3.96Å; G424-L454 CarbonylContact C-O 3.58Å; G424-L454 VanDerWaalsContact C-O 3.23Å; G424-L454 PolarHBondContact O-N 2.04Å; G424-L454 VanDerWaalsContact O-O 3.05Å; P425-L454 WeakPolarHBondContact CA-O 3.14Å; V452-L454 PolarHBondContact O-N 2.87Å; L454-L456 VanDerWaalsContact C-N 3.31Å; L454-L456 WeakPolarHBondContact CB-O 3.35Å; L454-T458 HydrophobicContact CD1-CG2 3.54Å | ||
| 455 | S | 97.6 | Very high | 97.4 | Very high | 111 Ų | 111 | 52.5 Ų | 52.5 | 78% | 0.776 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -71 | -30.4 | 171.9 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | P425 | P425-S455 WeakPolarHBondContact CG-O 3.4Š|
| 456 | L | 98.1 | Very high | 97.6 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 38% | 0.377 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -142.8 | 147.2 | 175.2 | -60.8 | 174.7 | 0 | 0 | 0 | 108 | H347 L454 | H347-L456 HydrophobicContact CB-CB 4.34Å; H347-L456 HydrophobicContact CB-CD2 4.29Å; H347-L456 CarbonylContact O-C 3.57Å; H347-L456 WeakPolarHBondContact O-CA 3.5Å; L454-L456 VanDerWaalsContact C-N 3.31Å; L454-L456 WeakPolarHBondContact CB-O 3.35Å |
| 457 | S | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 151 | 173.5 | -177.9 | 0 | 0 | 0 | 0 | 111 | N346 H347 N349 H387 N423 | N346-S457 WeakPolarHBondContact O-CB 3.36Å; H347-S457 PolarHBondContact CE1-O 2.99Å; H347-S457 VanDerWaalsContact CE1-O 3.28Å; H347-S457 PolarHBondContact ND1-O 2.78Å; H347-S457 PolarHBondContact O-N 3.36Å; N349-S457 WeakPolarHBondContact OD1-CB 3.34Å; H387-S457 PolarHBondContact CE1-OG 3.19Å; N423-S457 WeakPolarHBondContact O-CB 3.31Å; N423-S457 PolarHBondContact O-OG 3Å; N423-S457 WeakPolarHBondContact OD1-CA 3.22Å; N423-S457 PolarHBondContact OD1-OG 3.26Å |
| 458 | T | 98.5 | Very high | 97.6 | Very high | 60 Ų | 60 | 46 Ų | 46 | 37% | 0.368 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 155.5 | -178.3 | 67.2 | 0 | 0 | 0 | 0 | 111.6 | H387 A388 N423 L454 | H387-T458 PolarHBondContact CE1-O 3.03Å; H387-T458 VanDerWaalsContact CE1-O 3.31Å; H387-T458 PolarHBondContact ND1-O 2.82Å; A388-T458 WeakPolarHBondContact CB-O 3.43Å; A388-T458 PolarHBondContact N-O 3.2Å; A388-T458 VanDerWaalsContact N-O 3.17Å; N423-T458 PolarHBondContact ND2-OG1 3.17Å; N423-T458 PolarHBondContact OD1-N 3.33Å; N423-T458 PolarHBondContact OD1-OG1 3.17Å; L454-T458 HydrophobicContact CD1-CG2 3.54Å |
| 459 | H | 98.6 | Very high | 97.7 | Very high | 26 Ų | 26 | 47 Ų | 47 | 12% | 0.12 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 165.8 | 163.4 | -52.1 | 170.5 | 0 | 0 | 0 | 110.9 | T120 T121 D343 H347 H385 S386 | T120-H459 HydrophobicContact CG2-CB 3.56Å; T121-H459 PolarHBondContact O-ND1 3.38Å; D343-H459 IonicContact OD1-CD2 3.11Å; D343-H459 IonicContact OD1-NE2 3.49Å; H347-H459 AromaticContact CE1-CD2 3.51Å; H347-H459 AromaticContact CE1-NE2 3.3Å; H347-H459 PolarHBondContact CE1-NE2 2.77Å; H347-H459 VanDerWaalsContact CE1-NE2 3.3Å; H347-H459 AromaticContact NE2-CD2 3.92Å; H347-H459 AromaticContact NE2-NE2 3.31Å; H347-H459 PolarHBondContact NE2-NE2 3.03Å; H385-H459 AromaticContact CD2-CE1 3.71Å; H385-H459 AromaticContact CD2-ND1 3.5Å; H385-H459 AromaticContact CE1-CD2 3.26Å; H385-H459 PolarHBondContact CE1-CD2 3.4Å; H385-H459 AromaticContact CE1-CE1 3.31Å; H385-H459 PolarHBondContact CE1-CE1 3.04Å; H385-H459 AromaticContact CE1-CG 3.32Å; H385-H459 AromaticContact CE1-ND1 3.35Å; H385-H459 PolarHBondContact CE1-ND1 3.34Å; H385-H459 AromaticContact CE1-NE2 3.35Å; H385-H459 PolarHBondContact CE1-NE2 2.85Å; H385-H459 VanDerWaalsContact CE1-NE2 3.35Å; H385-H459 AromaticContact CG-CG 3.91Å; H385-H459 AromaticContact CG-ND1 3.69Å; H385-H459 AromaticContact ND1-CD2 3.74Å; H385-H459 AromaticContact ND1-CG 3.39Å; H385-H459 AromaticContact ND1-ND1 3.59Å; H385-H459 AromaticContact NE2-CD2 3.81Å; H385-H459 AromaticContact NE2-CE1 3.01Å; H385-H459 PolarHBondContact NE2-CE1 3.28Å; H385-H459 AromaticContact NE2-CG 3.72Å; H385-H459 AromaticContact NE2-ND1 3.23Å; H385-H459 PolarHBondContact NE2-ND1 3.45Å; H385-H459 AromaticContact NE2-NE2 3.47Å; H385-H459 PolarHBondContact NE2-NE2 2.68Å; S386-H459 WeakPolarHBondContact O-CA 3.44Å; S386-H459 WeakPolarHBondContact O-CB 3.36Å |
| 460 | S | 98.1 | Very high | 97.7 | Very high | 33 Ų | 33 | 45.3 Ų | 45.3 | 23% | 0.231 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 149.6 | 174.5 | -177 | 0 | 0 | 0 | 0 | 111.2 | S386 H387 | S386-S460 PolarHBondContact O-N 3.25Å; H387-S460 WeakPolarHBondContact O-CB 3Å |
| 461 | A | 97.3 | Very high | 97.7 | Very high | 45 Ų | 45 | 45 Ų | 45 | 37% | 0.372 | 25% | 0.252 | S | S | . | . | trans | -87.3 | -2.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | L119 | L119-A461 WeakPolarHBondContact O-CB 3.45Š| ||
| 462 | E | 96.9 | Very high | 97.8 | Very high | 71 Ų | 71 | 38.3 Ų | 38.3 | 33% | 0.332 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -62.6 | 151.8 | 177.7 | 65.7 | 179.8 | -168.5 | 0 | 0 | 111.6 | S386 | S386-E462 VanDerWaalsContact OG-CD 3.24Å; S386-E462 WeakPolarHBondContact OG-CG 3.39Å; S386-E462 PolarHBondContact OG-OE1 3Å |
| 463 | D | 98.4 | Very high | 97.8 | Very high | 50 Ų | 50 | 34.9 Ų | 34.9 | 27% | 0.267 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -58.7 | 144.1 | 174.7 | -70.9 | 18.7 | 0 | 0 | 0 | 110.5 | L110 V111 R112 | L110-D463 HydrophobicContact CB-CB 3.98Å; V111-D463 CarbonylContact O-C 3.13Å; V111-D463 VanDerWaalsContact O-CA 3.26Å; V111-D463 WeakPolarHBondContact O-CA 3.41Å; R112-D463 VanDerWaalsContact CG-OD1 3.3Å; R112-D463 WeakPolarHBondContact CG-OD1 3.35Å |
| 464 | V | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 153.5 | 176 | -59 | 0 | 0 | 0 | 0 | 110.4 | L110 V111 T113 A383 | L110-V464 CarbonylContact C-O 3.47Å; L110-V464 WeakPolarHBondContact CA-O 3.2Å; V111-V464 HydrophobicContact CB-CG2 3.86Å; V111-V464 HydrophobicContact CG1-CG2 4.49Å; V111-V464 PolarHBondContact N-O 2.93Å; V111-V464 PolarHBondContact O-N 2.63Å; T113-V464 HydrophobicContact CG2-CB 4.47Å; T113-V464 HydrophobicContact CG2-CG1 4.06Å; T113-V464 HydrophobicContact CG2-CG2 3.62Å; A383-V464 HydrophobicContact CB-CB 3.85Å; A383-V464 HydrophobicContact CB-CG1 3.91Å; A383-V464 HydrophobicContact CB-CG2 4.16Å; A383-V464 WeakPolarHBondContact O-CG2 3.41Å |
| 465 | P | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.019 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 146.6 | 177.2 | 30.7 | -33.4 | 0 | 0 | 0 | 111.1 | L77 V80 S109 T382 Y467 | L77-P465 HydrophobicContact CD2-CB 3.79Å; L77-P465 HydrophobicContact CD2-CG 3.96Å; V80-P465 HydrophobicContact CG2-CG 4.04Å; S109-P465 WeakPolarHBondContact O-CA 3.13Å; T382-P465 VanDerWaalsContact CA-O 3.31Å; T382-P465 WeakPolarHBondContact CA-O 3.22Å; T382-P465 PolarHBondContact OG1-O 3.07Å; T382-P465 VanDerWaalsContact OG1-O 3.12Å; P465-Y467 HydrophobicContact CB-CD2 4.39Å; P465-Y467 HydrophobicContact CB-CE2 3.55Å; P465-Y467 HydrophobicContact CG-CE2 3.96Å |
| 466 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131.4 | 162.8 | -174.1 | 157.5 | 0 | 0 | 0 | 109.8 | A108 S109 V111 V381 F476 L480 I485 | A108-I466 CarbonylContact C-O 3.56Å; A108-I466 WeakPolarHBondContact CA-O 3.41Å; S109-I466 PolarHBondContact N-O 3.34Å; S109-I466 PolarHBondContact O-N 2.91Å; V111-I466 HydrophobicContact CG2-CB 3.51Å; V111-I466 HydrophobicContact CG2-CD1 4.15Å; V111-I466 HydrophobicContact CG2-CG1 4.46Å; V111-I466 HydrophobicContact CG2-CG2 3.36Å; V381-I466 CarbonylContact O-C 3.53Å; V381-I466 WeakPolarHBondContact O-CA 3.27Å; I466-F476 HydrophobicContact CD1-CD1 3.5Å; I466-F476 HydrophobicContact CD1-CE1 3.92Å; I466-F476 HydrophobicContact CD1-CG 4.31Å; I466-F476 HydrophobicContact CG1-CD1 4.34Å; I466-L480 HydrophobicContact CG2-CD2 4.41Å; I466-I485 HydrophobicContact CD1-CD1 4Å; I466-I485 HydrophobicContact CD1-CG1 3.94Å |
| 467 | Y | 98.8 | Very high | 97.6 | Very high | 18 Ų | 18 | 26 Ų | 26 | 7% | 0.071 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 137 | 175 | -53.1 | -91.9 | 0 | 0 | 0 | 108.5 | W102 E103 V107 A108 L380 V381 P465 | W102-Y467 HydrophobicContact CB-CD2 4.5Å; W102-Y467 HydrophobicContact CB-CG 4.2Å; W102-Y467 AromaticContact CD1-CD1 3.94Å; W102-Y467 AromaticContact CD1-CD2 3.26Å; W102-Y467 AromaticContact CD1-CE2 3.36Å; W102-Y467 AromaticContact CD1-CG 3.57Å; W102-Y467 AromaticContact CD1-CZ 3.77Å; W102-Y467 HydrophobicContact CG-CD2 4.05Å; W102-Y467 HydrophobicContact CG-CE2 4.48Å; W102-Y467 HydrophobicContact CG-CG 4.19Å; W102-Y467 AromaticContact NE1-CD2 3.83Å; W102-Y467 AromaticContact NE1-CE2 3.55Å; W102-Y467 VanDerWaalsContact O-CD1 3.27Å; W102-Y467 WeakPolarHBondContact O-CD1 3.33Å; E103-Y467 HydrophobicContact CB-CE1 4.45Å; E103-Y467 HydrophobicContact CG-CE1 4.13Å; V107-Y467 CarbonylContact O-C 3.48Å; V107-Y467 VanDerWaalsContact O-CA 3.29Å; V107-Y467 WeakPolarHBondContact O-CA 3.33Å; A108-Y467 HydrophobicContact CB-CD1 3.63Å; A108-Y467 HydrophobicContact CB-CE1 3.81Å; L380-Y467 WeakPolarHBondContact CA-O 3.42Å; V381-Y467 HydrophobicContact CB-CD2 4.42Å; V381-Y467 HydrophobicContact CG1-CD2 4.5Å; V381-Y467 PolarHBondContact N-O 2.96Å; V381-Y467 PolarHBondContact O-N 3.21Å; P465-Y467 HydrophobicContact CB-CD2 4.39Å; P465-Y467 HydrophobicContact CB-CE2 3.55Å; P465-Y467 HydrophobicContact CG-CE2 3.96Å |
| 468 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 139.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V107 L379 L380 F476 | V107-A468 HydrophobicContact CB-CB 4.07Å; V107-A468 HydrophobicContact CG1-CB 4.13Å; V107-A468 PolarHBondContact N-O 3.42Å; V107-A468 PolarHBondContact O-N 2.88Å; L379-A468 WeakPolarHBondContact O-CA 3.13Å; L380-A468 HydrophobicContact CD2-CB 3.52Å; A468-F476 HydrophobicContact CB-CB 3.99Å; A468-F476 HydrophobicContact CB-CD2 3.91Å; A468-F476 HydrophobicContact CB-CG 4.16Å |
| 469 | N | 98.1 | Very high | 97.3 | Very high | 23 Ų | 23 | 27.7 Ų | 27.7 | 12% | 0.123 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152.2 | 175.5 | -174.3 | 20.7 | 0 | 0 | 0 | 110.7 | W105 Q374 L379 | W105-N469 HydrophobicContact CB-CB 4.19Å; W105-N469 HydrophobicContact CD2-CB 3.47Å; W105-N469 VanDerWaalsContact CD2-CB 3.47Å; W105-N469 HydrophobicContact CE3-CB 3.7Å; W105-N469 HydrophobicContact CG-CB 3.71Å; W105-N469 HydrophobicContact CZ2-CB 4.4Å; W105-N469 HydrophobicContact CZ3-CB 4.25Å; Q374-N469 PolarHBondContact OE1-ND2 2.85Å; L379-N469 PolarHBondContact N-O 3.27Å; L379-N469 PolarHBondContact O-N 3.31Å |
| 470 | G | 97 | Very high | 97.2 | Very high | 14 Ų | 14 | 26.5 Ų | 26.5 | 14% | 0.144 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 89.6 | -174.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q374 Y472 S473 | Q374-G470 VanDerWaalsContact O-CA 3.31Å; Q374-G470 WeakPolarHBondContact O-CA 3.32Å; G470-Y472 PolarHBondContact O-N 2.86Å; G470-S473 WeakPolarHBondContact O-CB 3.31Å; G470-S473 PolarHBondContact O-N 3.27Å; G470-S473 VanDerWaalsContact O-N 3.16Å; G470-S473 PolarHBondContact O-OG 3.2Å |
| 471 | P | 96.1 | Very high | 97.2 | Very high | 6 Ų | 6 | 25.2 Ų | 25.2 | 4% | 0.039 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 136.4 | -176.8 | 24.9 | -36.2 | 0 | 0 | 0 | 112 | K62 P64 Q374 Q375 S473 | K62-P471 WeakPolarHBondContact O-CB 3.39Å; P64-P471 HydrophobicContact CB-CG 3.82Å; P64-P471 HydrophobicContact CG-CG 4.48Å; Q374-P471 WeakPolarHBondContact O-CD 3.27Å; Q375-P471 WeakPolarHBondContact O-CG 3.49Å; P471-S473 PolarHBondContact O-N 3.19Å |
| 472 | Y | 96.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 11.3 | -177 | -65.2 | 9.6 | 0 | 0 | 0 | 114.7 | F52 Y58 L61 R63 P64 G470 E474 L475 Y491 H503 | F52-Y472 AromaticContact CE1-CD1 3.85Å; F52-Y472 HydrophobicContact CE1-CD1 3.85Å; F52-Y472 HydrophobicContact CE1-CD2 4.12Å; F52-Y472 HydrophobicContact CE1-CE1 4.01Å; F52-Y472 HydrophobicContact CE1-CE2 4.26Å; F52-Y472 AromaticContact CE1-CG 3.91Å; F52-Y472 HydrophobicContact CE1-CG 3.91Å; F52-Y472 AromaticContact CZ-CD1 3.65Å; F52-Y472 HydrophobicContact CZ-CD1 3.65Å; F52-Y472 HydrophobicContact CZ-CE1 4.09Å; F52-Y472 AromaticContact CZ-CG 3.93Å; F52-Y472 HydrophobicContact CZ-CG 3.93Å; Y58-Y472 HydrophobicContact CD2-CE1 4.46Å; L61-Y472 HydrophobicContact CB-CD1 4.28Å; L61-Y472 HydrophobicContact CB-CE1 4.3Å; L61-Y472 HydrophobicContact CD1-CD1 4.41Å; R63-Y472 HydrophobicContact CG-CE2 4.16Å; P64-Y472 HydrophobicContact CG-CD2 4.49Å; G470-Y472 PolarHBondContact O-N 2.86Å; Y472-E474 PolarHBondContact O-N 3.44Å; Y472-L475 HydrophobicContact CD2-CD1 4.22Å; Y472-L475 HydrophobicContact CG-CD1 4.47Å; Y472-L475 WeakPolarHBondContact O-CB 3.49Å; Y472-L475 WeakPolarHBondContact O-CG 3.09Å; Y472-L475 PolarHBondContact O-N 2.77Å; Y472-L475 VanDerWaalsContact O-N 3.08Å; Y472-Y491 HydrophobicContact CD2-CD1 4.29Å; Y472-Y491 HydrophobicContact CD2-CE1 4.2Å; Y472-Y491 HydrophobicContact CE2-CD1 4.08Å; Y472-Y491 AromaticContact CE2-CE1 3.71Å; Y472-Y491 HydrophobicContact CE2-CE1 3.71Å; Y472-H503 AromaticContact CE2-CD2 3.89Å; Y472-H503 AromaticContact CE2-NE2 3.99Å; Y472-H503 AromaticContact CZ-CD2 3.94Å; Y472-H503 PolarHBondContact OH-CD2 2.83Å |
| 473 | S | 96.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 20 Ų | 20 | 4% | 0.035 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -57.7 | -27.8 | 173 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | G470 P471 L475 F476 | G470-S473 WeakPolarHBondContact O-CB 3.31Å; G470-S473 PolarHBondContact O-N 3.27Å; G470-S473 VanDerWaalsContact O-N 3.16Å; G470-S473 PolarHBondContact O-OG 3.2Å; P471-S473 PolarHBondContact O-N 3.19Å; S473-L475 PolarHBondContact O-N 3.36Å; S473-L475 VanDerWaalsContact O-N 3.12Å; S473-F476 WeakPolarHBondContact O-CD2 3.4Å; S473-F476 PolarHBondContact O-N 3.37Å |
| 474 | E | 95.5 | Very high | 97.3 | Very high | 53 Ų | 53 | 18 Ų | 18 | 25% | 0.248 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -62.6 | -17.9 | 176.9 | -60.3 | 87.6 | 160.3 | 0 | 0 | 113.4 | F52 L61 Y472 F476 H477 | F52-E474 HydrophobicContact CD2-CB 4.49Å; F52-E474 HydrophobicContact CE2-CB 4.04Å; L61-E474 WeakPolarHBondContact CD1-OE2 3.21Å; Y472-E474 PolarHBondContact O-N 3.44Å; E474-F476 PolarHBondContact O-N 3.24Å; E474-F476 VanDerWaalsContact O-N 3.12Å; E474-H477 WeakPolarHBondContact O-CB 3.27Å; E474-H477 PolarHBondContact O-CD2 3.14Å; E474-H477 PolarHBondContact O-N 3.25Å |
| 475 | L | 96.7 | Very high | 97.3 | Very high | 6 Ų | 6 | 18 Ų | 18 | 3% | 0.031 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -56.9 | -26.2 | 171 | -72.6 | 172.9 | 0 | 0 | 0 | 112.3 | F49 F52 Y472 S473 F484 A488 Y491 | F49-L475 HydrophobicContact CD1-CD2 3.78Å; F49-L475 HydrophobicContact CE1-CD1 4.25Å; F49-L475 HydrophobicContact CE1-CD2 4.04Å; F52-L475 HydrophobicContact CB-CD2 3.62Å; F52-L475 HydrophobicContact CD1-CD2 3.42Å; F52-L475 VanDerWaalsContact CD1-CD2 3.42Å; F52-L475 HydrophobicContact CD1-CG 4.03Å; F52-L475 HydrophobicContact CD2-CD2 4.03Å; F52-L475 HydrophobicContact CD2-CG 4.39Å; F52-L475 HydrophobicContact CE1-CD1 4.47Å; F52-L475 HydrophobicContact CE1-CD2 4Å; F52-L475 HydrophobicContact CE1-CG 4.09Å; F52-L475 HydrophobicContact CG-CD2 3.41Å; F52-L475 VanDerWaalsContact CG-CD2 3.41Å; F52-L475 HydrophobicContact CG-CG 4.16Å; F52-L475 HydrophobicContact CZ-CG 4.35Å; Y472-L475 HydrophobicContact CD2-CD1 4.22Å; Y472-L475 HydrophobicContact CG-CD1 4.47Å; Y472-L475 WeakPolarHBondContact O-CB 3.49Å; Y472-L475 WeakPolarHBondContact O-CG 3.09Å; Y472-L475 PolarHBondContact O-N 2.77Å; Y472-L475 VanDerWaalsContact O-N 3.08Å; S473-L475 PolarHBondContact O-N 3.36Å; S473-L475 VanDerWaalsContact O-N 3.12Å; L475-F484 HydrophobicContact CB-CE1 4.14Å; L475-F484 HydrophobicContact CB-CZ 4.32Å; L475-F484 HydrophobicContact CD2-CZ 4.27Å; L475-F484 WeakPolarHBondContact O-CE1 3.47Å; L475-A488 HydrophobicContact CD1-CB 4.13Å; L475-Y491 HydrophobicContact CD1-CD1 4.37Å |
| 476 | F | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -99.8 | 9 | -173.7 | -56.9 | -87.1 | 0 | 0 | 0 | 113.7 | V107 S109 L378 L380 I466 A468 S473 E474 S478 L480 F484 I485 A488 | V107-F476 VanDerWaalsContact CG1-C 3.5Å; V107-F476 HydrophobicContact CG1-CB 3.98Å; V107-F476 WeakPolarHBondContact CG1-O 3.38Å; S109-F476 WeakPolarHBondContact CB-O 3.45Å; S109-F476 PolarHBondContact OG-O 3.3Å; L378-F476 HydrophobicContact CD1-CE2 4.42Å; L378-F476 HydrophobicContact CD2-CE2 4.15Å; L380-F476 HydrophobicContact CD1-CE1 4.07Å; L380-F476 HydrophobicContact CD1-CE2 4.09Å; L380-F476 HydrophobicContact CD1-CZ 3.57Å; L380-F476 HydrophobicContact CD2-CD1 4.31Å; L380-F476 HydrophobicContact CD2-CD2 3.67Å; L380-F476 HydrophobicContact CD2-CE1 4.14Å; L380-F476 HydrophobicContact CD2-CE2 3.5Å; L380-F476 VanDerWaalsContact CD2-CE2 3.5Å; L380-F476 HydrophobicContact CD2-CG 4.09Å; L380-F476 HydrophobicContact CD2-CZ 3.73Å; L380-F476 HydrophobicContact CG-CE2 4.42Å; L380-F476 HydrophobicContact CG-CZ 4.32Å; I466-F476 HydrophobicContact CD1-CD1 3.5Å; I466-F476 HydrophobicContact CD1-CE1 3.92Å; I466-F476 HydrophobicContact CD1-CG 4.31Å; I466-F476 HydrophobicContact CG1-CD1 4.34Å; A468-F476 HydrophobicContact CB-CB 3.99Å; A468-F476 HydrophobicContact CB-CD2 3.91Å; A468-F476 HydrophobicContact CB-CG 4.16Å; S473-F476 WeakPolarHBondContact O-CD2 3.4Å; S473-F476 PolarHBondContact O-N 3.37Å; E474-F476 PolarHBondContact O-N 3.24Å; E474-F476 VanDerWaalsContact O-N 3.12Å; F476-S478 PolarHBondContact O-N 2.76Å; F476-S478 VanDerWaalsContact O-N 3.1Å; F476-L480 HydrophobicContact CB-CD2 4.24Å; F476-L480 HydrophobicContact CD1-CD2 3.83Å; F476-L480 HydrophobicContact CG-CD2 4.47Å; F476-F484 HydrophobicContact CE1-CD1 4.48Å; F476-I485 HydrophobicContact CE1-CG1 4.22Å; F476-A488 HydrophobicContact CE1-CB 4.11Å; F476-A488 HydrophobicContact CE2-CB 4.21Å; F476-A488 HydrophobicContact CZ-CB 3.52Å |
| 477 | H | 95.1 | Very high | 97.3 | Very high | 128 Ų | 128 | 18 Ų | 18 | 59% | 0.593 | 10% | 0.1 | S | C | * | . | S | Bend | trans | -69.3 | -6.4 | -172.5 | 82.5 | 102.2 | 0 | 0 | 0 | 116.3 | V107 E474 | V107-H477 HydrophobicContact CG1-CB 4.42Å; E474-H477 WeakPolarHBondContact O-CB 3.27Å; E474-H477 PolarHBondContact O-CD2 3.14Å; E474-H477 PolarHBondContact O-N 3.25Å |
| 478 | S | 95.1 | Very high | 97.3 | Very high | 35 Ų | 35 | 17.1 Ų | 17.1 | 25% | 0.245 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -140.7 | 155.3 | -174.7 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | R48 S109 F476 L480 | R48-S478 PolarHBondContact NH1-OG 2.84Å; R48-S478 PolarHBondContact NH2-OG 3.37Å; S109-S478 WeakPolarHBondContact OG-CA 3.36Å; S109-S478 PolarHBondContact OG-N 3.28Å; S109-S478 PolarHBondContact OG-O 2.64Å; S109-S478 VanDerWaalsContact OG-O 3.04Å; F476-S478 PolarHBondContact O-N 2.76Å; F476-S478 VanDerWaalsContact O-N 3.1Å; S478-L480 WeakPolarHBondContact O-CD2 3.41Å; S478-L480 PolarHBondContact O-N 2.91Å |
| 479 | S | 95.7 | Very high | 97.3 | Very high | 61 Ų | 61 | 17.1 Ų | 17.1 | 43% | 0.427 | 10% | 0.097 | S | C | . | . | trans | -55.2 | 131.5 | -176.3 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | R48 S109 L110 | R48-S479 PolarHBondContact NH2-O 2.79Å; S109-S479 PolarHBondContact OG-N 2.75Å; L110-S479 VanDerWaalsContact O-CA 3.26Å; L110-S479 WeakPolarHBondContact O-CA 3.35Å | ||
| 480 | L | 96.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 165.5 | -169.4 | 58.8 | 97.2 | 0 | 0 | 0 | 112.3 | L110 V111 R112 I466 F476 S478 F484 I485 | L110-L480 PolarHBondContact O-N 3.3Å; V111-L480 WeakPolarHBondContact CA-O 3.39Å; V111-L480 HydrophobicContact CB-CD1 4.37Å; V111-L480 HydrophobicContact CG1-CD1 4Å; V111-L480 HydrophobicContact CG2-CD1 3.69Å; V111-L480 HydrophobicContact CG2-CG 4.07Å; R112-L480 PolarHBondContact N-O 3.4Å; I466-L480 HydrophobicContact CG2-CD2 4.41Å; F476-L480 HydrophobicContact CB-CD2 4.24Å; F476-L480 HydrophobicContact CD1-CD2 3.83Å; F476-L480 HydrophobicContact CG-CD2 4.47Å; S478-L480 WeakPolarHBondContact O-CD2 3.41Å; S478-L480 PolarHBondContact O-N 2.91Å; L480-F484 HydrophobicContact CB-CB 4.47Å; L480-F484 HydrophobicContact CB-CD1 4.37Å; L480-F484 HydrophobicContact CD1-CB 4.22Å; L480-F484 HydrophobicContact CD1-CD1 4.32Å; L480-F484 HydrophobicContact CD2-CD1 4.13Å; L480-I485 HydrophobicContact CD1-CG1 4.19Å |
| 481 | D | 97.7 | Very high | 97.4 | Very high | 6 Ų | 6 | 15.4 Ų | 15.4 | 3% | 0.032 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 143.7 | 168.8 | -165.1 | -97.3 | 0 | 0 | 0 | 109.7 | W41 R112 K135 T483 F484 | W41-D481 HydrophobicContact CE3-CB 4.36Å; W41-D481 HydrophobicContact CZ3-CB 3.92Å; R112-D481 IonicContact CZ-OD2 2.79Å; R112-D481 IonicContact NH1-OD2 3.12Å; R112-D481 PolarHBondContact NH1-OD2 3.07Å; R112-D481 VanDerWaalsContact NH2-CB 3.29Å; R112-D481 IonicContact NH2-OD2 2.57Å; K135-D481 WeakPolarHBondContact CE-OD1 3.41Å; K135-D481 VanDerWaalsContact CE-OD2 3.3Å; K135-D481 WeakPolarHBondContact CE-OD2 3.21Å; K135-D481 IonicContact NZ-OD1 3.67Å; K135-D481 PolarHBondContact NZ-OD1 3.19Å; K135-D481 IonicContact NZ-OD2 3.16Å; K135-D481 PolarHBondContact NZ-OD2 3.27Å; D481-T483 PolarHBondContact O-N 3.31Å; D481-T483 VanDerWaalsContact O-N 3.09Å; D481-T483 VanDerWaalsContact OD1-CB 3.29Å; D481-T483 WeakPolarHBondContact OD1-CB 3.19Å; D481-T483 WeakPolarHBondContact OD1-CG2 3.49Å; D481-T483 PolarHBondContact OD1-N 3.32Å; D481-T483 PolarHBondContact OD1-OG1 3.04Å; D481-F484 VanDerWaalsContact O-CB 3.31Å; D481-F484 WeakPolarHBondContact O-CB 3.45Å; D481-F484 PolarHBondContact O-N 2.94Å |
| 482 | N | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.011 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -25.5 | 176.6 | 61.4 | -5.5 | 0 | 0 | 0 | 113.7 | V111 R112 T113 A129 F130 K135 F484 I485 | V111-N482 VanDerWaalsContact CG1-CA 3.48Å; V111-N482 HydrophobicContact CG1-CB 3.58Å; R112-N482 PolarHBondContact O-N 3.28Å; T113-N482 WeakPolarHBondContact CA-ND2 3.1Å; T113-N482 PolarHBondContact O-ND2 3.26Å; A129-N482 HydrophobicContact CB-CB 4.46Å; A129-N482 VanDerWaalsContact CB-OD1 3.26Å; A129-N482 WeakPolarHBondContact CB-OD1 3.49Å; F130-N482 VanDerWaalsContact CA-O 3.27Å; F130-N482 WeakPolarHBondContact CA-O 3.25Å; F130-N482 HydrophobicContact CB-CB 4.47Å; K135-N482 PolarHBondContact NZ-OD1 2.92Å; N482-F484 PolarHBondContact O-N 2.67Å; N482-I485 HydrophobicContact CB-CD1 4.43Å; N482-I485 WeakPolarHBondContact O-CB 3.39Å; N482-I485 PolarHBondContact O-N 2.87Å |
| 483 | T | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 15 Ų | 15 | 3% | 0.025 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.3 | -32.5 | 171.2 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | W41 A129 G133 K135 D481 I485 A486 H487 | W41-T483 HydrophobicContact CB-CG2 4.37Å; W41-T483 HydrophobicContact CD2-CG2 3.88Å; W41-T483 HydrophobicContact CE3-CG2 4.14Å; W41-T483 HydrophobicContact CG-CG2 3.96Å; A129-T483 HydrophobicContact CB-CG2 3.84Å; A129-T483 WeakPolarHBondContact O-CA 3.38Å; G133-T483 WeakPolarHBondContact CA-O 3.18Å; K135-T483 HydrophobicContact CD-CG2 3.89Å; K135-T483 HydrophobicContact CG-CG2 4.12Å; D481-T483 PolarHBondContact O-N 3.31Å; D481-T483 VanDerWaalsContact O-N 3.09Å; D481-T483 VanDerWaalsContact OD1-CB 3.29Å; D481-T483 WeakPolarHBondContact OD1-CB 3.19Å; D481-T483 WeakPolarHBondContact OD1-CG2 3.49Å; D481-T483 PolarHBondContact OD1-N 3.32Å; D481-T483 PolarHBondContact OD1-OG1 3.04Å; T483-I485 PolarHBondContact O-N 2.77Å; T483-A486 PolarHBondContact O-N 2.89Å; T483-H487 PolarHBondContact O-CD2 3.41Å; T483-H487 PolarHBondContact O-N 3.06Å |
| 484 | F | 98.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 15.8 Ų | 15.8 | 3% | 0.031 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65 | -25.3 | -178.1 | -177.1 | -106.2 | 0 | 0 | 0 | 112.6 | A45 R48 F49 L475 F476 L480 D481 N482 A486 H487 A488 | A45-F484 HydrophobicContact CB-CD2 3.76Å; A45-F484 HydrophobicContact CB-CE2 4.05Å; R48-F484 HydrophobicContact CB-CD2 4.4Å; R48-F484 HydrophobicContact CB-CE2 3.57Å; R48-F484 HydrophobicContact CB-CZ 3.82Å; R48-F484 HydrophobicContact CG-CE2 4.19Å; R48-F484 HydrophobicContact CG-CZ 4.47Å; F49-F484 HydrophobicContact CD1-CE2 4.27Å; F49-F484 HydrophobicContact CD1-CZ 4.3Å; F49-F484 AromaticContact CE1-CE2 3.6Å; F49-F484 HydrophobicContact CE1-CE2 3.6Å; F49-F484 AromaticContact CE1-CZ 3.68Å; F49-F484 HydrophobicContact CE1-CZ 3.68Å; F49-F484 AromaticContact CZ-CE2 3.75Å; F49-F484 HydrophobicContact CZ-CE2 3.75Å; F49-F484 HydrophobicContact CZ-CZ 4.26Å; L475-F484 HydrophobicContact CB-CE1 4.14Å; L475-F484 HydrophobicContact CB-CZ 4.32Å; L475-F484 HydrophobicContact CD2-CZ 4.27Å; L475-F484 WeakPolarHBondContact O-CE1 3.47Å; F476-F484 HydrophobicContact CE1-CD1 4.48Å; L480-F484 HydrophobicContact CB-CB 4.47Å; L480-F484 HydrophobicContact CB-CD1 4.37Å; L480-F484 HydrophobicContact CD1-CB 4.22Å; L480-F484 HydrophobicContact CD1-CD1 4.32Å; L480-F484 HydrophobicContact CD2-CD1 4.13Å; D481-F484 VanDerWaalsContact O-CB 3.31Å; D481-F484 WeakPolarHBondContact O-CB 3.45Å; D481-F484 PolarHBondContact O-N 2.94Å; N482-F484 PolarHBondContact O-N 2.67Å; F484-A486 VanDerWaalsContact C-N 3.33Å; F484-A486 PolarHBondContact O-N 3.2Å; F484-H487 PolarHBondContact O-N 3.34Å; F484-A488 HydrophobicContact CD1-CB 4.26Å; F484-A488 HydrophobicContact CE1-CB 3.93Å; F484-A488 HydrophobicContact CZ-CB 4.13Å; F484-A488 WeakPolarHBondContact O-CB 3.35Å; F484-A488 PolarHBondContact O-N 3.5Å |
| 485 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.9 | -44.4 | 178.3 | -62 | 164.8 | 0 | 0 | 0 | 110.8 | L69 V111 F130 L380 T382 I466 F476 L480 N482 T483 T489 | L69-I485 HydrophobicContact CD1-CG2 4.1Å; L69-I485 HydrophobicContact CD2-CG2 4.02Å; V111-I485 HydrophobicContact CG1-CD1 4.37Å; F130-I485 HydrophobicContact CB-CB 4.01Å; F130-I485 HydrophobicContact CB-CD1 3.82Å; F130-I485 HydrophobicContact CB-CG2 4.23Å; L380-I485 HydrophobicContact CD1-CG2 4.28Å; T382-I485 HydrophobicContact CG2-CD1 4.12Å; I466-I485 HydrophobicContact CD1-CD1 4Å; I466-I485 HydrophobicContact CD1-CG1 3.94Å; F476-I485 HydrophobicContact CE1-CG1 4.22Å; L480-I485 HydrophobicContact CD1-CG1 4.19Å; N482-I485 HydrophobicContact CB-CD1 4.43Å; N482-I485 WeakPolarHBondContact O-CB 3.39Å; N482-I485 PolarHBondContact O-N 2.87Å; T483-I485 PolarHBondContact O-N 2.77Å; I485-T489 WeakPolarHBondContact O-CB 3.31Å; I485-T489 PolarHBondContact O-N 3.06Å; I485-T489 PolarHBondContact O-OG1 3.13Å |
| 486 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.6 | -45.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F130 M131 T483 F484 T489 M490 | F130-A486 WeakPolarHBondContact O-CA 3.46Å; F130-A486 WeakPolarHBondContact O-CB 3.36Å; F130-A486 PolarHBondContact O-N 2.92Å; M131-A486 WeakPolarHBondContact O-CB 3.5Å; T483-A486 PolarHBondContact O-N 2.89Å; F484-A486 VanDerWaalsContact C-N 3.33Å; F484-A486 PolarHBondContact O-N 3.2Å; A486-T489 WeakPolarHBondContact O-CB 3.45Å; A486-T489 PolarHBondContact O-N 3.06Å; A486-M490 HydrophobicContact CB-CE 4.43Å; A486-M490 WeakPolarHBondContact O-CG 3.48Å; A486-M490 PolarHBondContact O-N 3.26Å |
| 487 | H | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 1% | 0.014 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.6 | -46.6 | 177.9 | -73.8 | -74.9 | 0 | 0 | 0 | 111.3 | A45 F49 G133 T483 F484 T489 M490 Y491 Y498 | A45-H487 HydrophobicContact CB-CB 3.49Å; A45-H487 VanDerWaalsContact CB-CB 3.49Å; F49-H487 HydrophobicContact CE2-CB 4.3Å; F49-H487 HydrophobicContact CZ-CB 4.03Å; G133-H487 PolarHBondContact O-NE2 2.84Å; G133-H487 VanDerWaalsContact O-NE2 3.1Å; T483-H487 PolarHBondContact O-CD2 3.41Å; T483-H487 PolarHBondContact O-N 3.06Å; F484-H487 PolarHBondContact O-N 3.34Å; H487-T489 VanDerWaalsContact C-N 3.32Å; H487-T489 PolarHBondContact O-N 3.16Å; H487-M490 PolarHBondContact O-N 2.86Å; H487-Y491 VanDerWaalsContact O-CB 3.27Å; H487-Y491 WeakPolarHBondContact O-CB 3.13Å; H487-Y491 PolarHBondContact O-N 3.43Å; H487-Y498 HydrophobicContact CB-CE2 4.03Å; H487-Y498 AromaticContact ND1-CE2 3.48Å; H487-Y498 WeakPolarHBondContact ND1-CE2 3.46Å; H487-Y498 AromaticContact ND1-CZ 3.59Å; H487-Y498 PolarHBondContact ND1-OH 3.05Å |
| 488 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F49 L475 F476 F484 S492 | F49-A488 HydrophobicContact CE1-CB 4.33Å; L475-A488 HydrophobicContact CD1-CB 4.13Å; F476-A488 HydrophobicContact CE1-CB 4.11Å; F476-A488 HydrophobicContact CE2-CB 4.21Å; F476-A488 HydrophobicContact CZ-CB 3.52Å; F484-A488 HydrophobicContact CD1-CB 4.26Å; F484-A488 HydrophobicContact CE1-CB 3.93Å; F484-A488 HydrophobicContact CZ-CB 4.13Å; F484-A488 WeakPolarHBondContact O-CB 3.35Å; F484-A488 PolarHBondContact O-N 3.5Å; A488-S492 WeakPolarHBondContact O-CB 3.13Å; A488-S492 PolarHBondContact O-N 3.38Å; A488-S492 PolarHBondContact O-OG 2.79Å |
| 489 | T | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.006 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.4 | -49.8 | 173.7 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | V67 L334 I485 A486 H487 S492 L493 | V67-T489 HydrophobicContact CB-CG2 4.46Å; V67-T489 HydrophobicContact CG1-CG2 4.13Å; V67-T489 HydrophobicContact CG2-CG2 4.45Å; L334-T489 HydrophobicContact CD1-CG2 3.66Å; L334-T489 HydrophobicContact CD2-CG2 3.88Å; L334-T489 HydrophobicContact CG-CG2 4.44Å; I485-T489 WeakPolarHBondContact O-CB 3.31Å; I485-T489 PolarHBondContact O-N 3.06Å; I485-T489 PolarHBondContact O-OG1 3.13Å; A486-T489 WeakPolarHBondContact O-CB 3.45Å; A486-T489 PolarHBondContact O-N 3.06Å; H487-T489 VanDerWaalsContact C-N 3.32Å; H487-T489 PolarHBondContact O-N 3.16Å; T489-S492 PolarHBondContact O-N 3.15Å; T489-L493 HydrophobicContact CG2-CD1 4.31Å; T489-L493 PolarHBondContact O-N 3.09Å |
| 490 | M | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.2 | -40.5 | -179.5 | -70.2 | -173.7 | -74.9 | 0 | 0 | 112.7 | Y167 A486 H487 L493 C494 I495 Y498 | Y167-M490 HydrophobicContact CD2-SD 3.52Å; Y167-M490 VanDerWaalsContact CD2-SD 3.52Å; Y167-M490 HydrophobicContact CE2-SD 3.87Å; Y167-M490 HydrophobicContact CG-SD 4.31Å; A486-M490 HydrophobicContact CB-CE 4.43Å; A486-M490 WeakPolarHBondContact O-CG 3.48Å; A486-M490 PolarHBondContact O-N 3.26Å; H487-M490 PolarHBondContact O-N 2.86Å; M490-L493 PolarHBondContact O-N 2.97Å; M490-C494 PolarHBondContact O-N 2.52Å; M490-I495 HydrophobicContact CB-CG1 4Å; M490-I495 HydrophobicContact CG-CD1 4.3Å; M490-I495 HydrophobicContact CG-CG1 4.01Å; M490-I495 PolarHBondContact O-N 2.91Å; M490-Y498 HydrophobicContact CB-CD2 3.67Å; M490-Y498 HydrophobicContact CB-CE2 4.29Å; M490-Y498 HydrophobicContact CE-CE2 4.49Å |
| 491 | Y | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 173.7 | 176 | -88.2 | 0 | 0 | 0 | 111.9 | F49 F52 E53 Y472 L475 H487 L493 C494 Y498 Q501 H503 | F49-Y491 HydrophobicContact CB-CD2 4.28Å; F49-Y491 HydrophobicContact CB-CE2 3.87Å; F49-Y491 AromaticContact CD1-CD1 3.93Å; F49-Y491 HydrophobicContact CD1-CD1 3.93Å; F49-Y491 AromaticContact CD1-CD2 3.96Å; F49-Y491 HydrophobicContact CD1-CD2 3.96Å; F49-Y491 HydrophobicContact CD1-CE1 4.15Å; F49-Y491 HydrophobicContact CD1-CE2 4.17Å; F49-Y491 AromaticContact CD1-CG 3.84Å; F49-Y491 HydrophobicContact CD1-CG 3.84Å; F49-Y491 AromaticContact CD2-CD2 3.67Å; F49-Y491 HydrophobicContact CD2-CD2 3.67Å; F49-Y491 HydrophobicContact CD2-CE2 4.13Å; F49-Y491 HydrophobicContact CD2-CG 4.15Å; F49-Y491 AromaticContact CE1-CD1 3.98Å; F49-Y491 HydrophobicContact CE1-CD1 3.98Å; F49-Y491 HydrophobicContact CE1-CD2 4.25Å; F49-Y491 AromaticContact CE1-CG 3.77Å; F49-Y491 HydrophobicContact CE1-CG 3.77Å; F49-Y491 AromaticContact CE2-CD2 3.97Å; F49-Y491 HydrophobicContact CE2-CD2 3.97Å; F49-Y491 HydrophobicContact CE2-CG 4.08Å; F49-Y491 HydrophobicContact CG-CD1 4.48Å; F49-Y491 AromaticContact CG-CD2 3.69Å; F49-Y491 HydrophobicContact CG-CD2 3.69Å; F49-Y491 AromaticContact CG-CE2 3.8Å; F49-Y491 HydrophobicContact CG-CE2 3.8Å; F49-Y491 HydrophobicContact CG-CG 4.07Å; F49-Y491 HydrophobicContact CZ-CD2 4.26Å; F49-Y491 AromaticContact CZ-CG 3.91Å; F49-Y491 HydrophobicContact CZ-CG 3.91Å; F52-Y491 HydrophobicContact CD1-CE1 4.39Å; F52-Y491 HydrophobicContact CE1-CE1 4.47Å; E53-Y491 WeakPolarHBondContact CG-OH 3.07Å; E53-Y491 PolarHBondContact OE1-OH 2.92Å; Y472-Y491 HydrophobicContact CD2-CD1 4.29Å; Y472-Y491 HydrophobicContact CD2-CE1 4.2Å; Y472-Y491 HydrophobicContact CE2-CD1 4.08Å; Y472-Y491 AromaticContact CE2-CE1 3.71Å; Y472-Y491 HydrophobicContact CE2-CE1 3.71Å; L475-Y491 HydrophobicContact CD1-CD1 4.37Å; H487-Y491 VanDerWaalsContact O-CB 3.27Å; H487-Y491 WeakPolarHBondContact O-CB 3.13Å; H487-Y491 PolarHBondContact O-N 3.43Å; Y491-L493 VanDerWaalsContact C-N 3.34Å; Y491-L493 PolarHBondContact O-N 3.02Å; Y491-C494 PolarHBondContact O-N 3.22Å; Y491-Y498 HydrophobicContact CD2-CD1 4.07Å; Y491-Y498 HydrophobicContact CD2-CG 4.42Å; Y491-Q501 HydrophobicContact CD2-CG 3.93Å; Y491-Q501 HydrophobicContact CE2-CB 4.37Å; Y491-Q501 HydrophobicContact CE2-CG 4.03Å; Y491-H503 AromaticContact CD1-CE1 3.98Å; Y491-H503 AromaticContact CD1-NE2 3.89Å; Y491-H503 AromaticContact CD2-CE1 3.76Å; Y491-H503 AromaticContact CE1-CE1 3.51Å; Y491-H503 AromaticContact CE1-NE2 3.62Å; Y491-H503 AromaticContact CE2-CE1 3.28Å; Y491-H503 WeakPolarHBondContact CE2-CE1 3.35Å; Y491-H503 AromaticContact CZ-CE1 3.12Å; Y491-H503 AromaticContact CZ-ND1 3.7Å; Y491-H503 AromaticContact CZ-NE2 3.75Å; Y491-H503 PolarHBondContact O-NE2 3.35Å; Y491-H503 PolarHBondContact OH-CE1 2.73Å |
| 492 | S | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.2 | -35.9 | 178.9 | -64.2 | 0 | 0 | 0 | 0 | 112.1 | R63 A488 T489 | R63-S492 WeakPolarHBondContact CD-O 3.45Å; R63-S492 WeakPolarHBondContact CG-O 2.92Å; R63-S492 PolarHBondContact NH1-O 3.05Å; A488-S492 WeakPolarHBondContact O-CB 3.13Å; A488-S492 PolarHBondContact O-N 3.38Å; A488-S492 PolarHBondContact O-OG 2.79Å; T489-S492 PolarHBondContact O-N 3.15Å |
| 493 | L | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -94.1 | -3.9 | -179.4 | -67.3 | 179.7 | 0 | 0 | 0 | 114.6 | R63 K65 V67 F173 L334 T489 M490 Y491 I495 | R63-L493 PolarHBondContact NH1-O 2.92Å; K65-L493 WeakPolarHBondContact O-CD2 3.21Å; V67-L493 HydrophobicContact CB-CD1 4.21Å; V67-L493 HydrophobicContact CG2-CD1 3.87Å; V67-L493 HydrophobicContact CG2-CD2 3.86Å; V67-L493 HydrophobicContact CG2-CG 3.7Å; F173-L493 HydrophobicContact CD1-CD2 4.49Å; F173-L493 HydrophobicContact CE1-CB 4.49Å; F173-L493 HydrophobicContact CE1-CD2 3.89Å; F173-L493 HydrophobicContact CZ-CB 4.26Å; F173-L493 HydrophobicContact CZ-CD2 4.4Å; F173-L493 WeakPolarHBondContact CZ-O 3.46Å; L334-L493 HydrophobicContact CB-CD1 3.95Å; L334-L493 HydrophobicContact CD1-CD1 4.41Å; L334-L493 HydrophobicContact CD2-CD1 4.45Å; L334-L493 HydrophobicContact CG-CD1 4.49Å; T489-L493 HydrophobicContact CG2-CD1 4.31Å; T489-L493 PolarHBondContact O-N 3.09Å; M490-L493 PolarHBondContact O-N 2.97Å; Y491-L493 VanDerWaalsContact C-N 3.34Å; Y491-L493 PolarHBondContact O-N 3.02Å; L493-I495 HydrophobicContact CB-CD1 3.93Å; L493-I495 HydrophobicContact CB-CG1 3.95Å; L493-I495 HydrophobicContact CB-CG2 4.22Å; L493-I495 HydrophobicContact CD1-CD1 4.13Å |
| 494 | C | 97.1 | Very high | 96 | Very high | 21 Ų | 21 | 24.3 Ų | 24.3 | 14% | 0.142 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 48.9 | -175.4 | -66.4 | 0 | 0 | 0 | 0 | 112.9 | R63 M490 Y491 C504 | R63-C494 WeakPolarHBondContact CD-SG 2.93Å; M490-C494 PolarHBondContact O-N 2.52Å; Y491-C494 PolarHBondContact O-N 3.22Å; C494-C504 HydrophobicContact CB-CB 3.64Å; C494-C504 WeakPolarHBondContact CB-SG 3.37Å; C494-C504 WeakPolarHBondContact SG-CA 3.4Å; C494-C504 WeakPolarHBondContact SG-CB 3.18Å; C494-C504 CovalentContact SG-SG 2.02Å; C494-C504 PolarHBondContact SG-SG 2.67Å |
| 495 | I | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | trans | -127.9 | 167.2 | -177.2 | 60 | 175.9 | 0 | 0 | 0 | 111 | A168 A171 F173 M490 L493 L497 Y498 | A168-I495 HydrophobicContact CB-CD1 3.69Å; A171-I495 HydrophobicContact CB-CB 4.38Å; A171-I495 HydrophobicContact CB-CG2 3.58Å; F173-I495 HydrophobicContact CD2-CG2 3.88Å; F173-I495 HydrophobicContact CE2-CG2 3.49Å; F173-I495 VanDerWaalsContact CE2-CG2 3.49Å; F173-I495 HydrophobicContact CZ-CG2 4.37Å; M490-I495 HydrophobicContact CB-CG1 4Å; M490-I495 HydrophobicContact CG-CD1 4.3Å; M490-I495 HydrophobicContact CG-CG1 4.01Å; M490-I495 PolarHBondContact O-N 2.91Å; L493-I495 HydrophobicContact CB-CD1 3.93Å; L493-I495 HydrophobicContact CB-CG1 3.95Å; L493-I495 HydrophobicContact CB-CG2 4.22Å; L493-I495 HydrophobicContact CD1-CD1 4.13Å; I495-L497 PolarHBondContact O-N 3.18Å; I495-Y498 PolarHBondContact O-N 2.87Å; I495-Y498 VanDerWaalsContact O-N 3.1Å | ||
| 496 | G | 96.5 | Very high | 93.6 | Very high | 23 Ų | 23 | 37.4 Ų | 37.4 | 24% | 0.237 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | 58 | -121.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y498 | G496-Y498 PolarHBondContact O-N 3.07Š|
| 497 | L | 95.7 | Very high | 91.3 | Very high | 84 Ų | 84 | 41.2 Ų | 41.2 | 44% | 0.44 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -71.9 | -7.5 | -177.7 | -58.1 | 175.4 | 0 | 0 | 0 | 114.2 | K42 I495 | K42-L497 HydrophobicContact CD-CD1 4.26Å; K42-L497 HydrophobicContact CG-CD1 4.5Å; I495-L497 PolarHBondContact O-N 3.18Å |
| 498 | Y | 97 | Very high | 88.6 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -124.7 | 30.7 | -168 | -60.2 | -72.4 | 0 | 0 | 0 | 113.6 | D46 F49 H487 M490 Y491 I495 G496 D500 Q501 C504 | D46-Y498 VanDerWaalsContact OD1-CE1 3.26Å; D46-Y498 WeakPolarHBondContact OD1-CE1 3.14Å; D46-Y498 PolarHBondContact OD1-OH 2.9Å; D46-Y498 VanDerWaalsContact OD1-OH 3.11Å; F49-Y498 AromaticContact CD2-CE1 3.98Å; F49-Y498 HydrophobicContact CD2-CE1 3.98Å; F49-Y498 HydrophobicContact CE2-CD1 4.39Å; F49-Y498 AromaticContact CE2-CE1 3.66Å; F49-Y498 HydrophobicContact CE2-CE1 3.66Å; F49-Y498 HydrophobicContact CE2-CE2 4.24Å; F49-Y498 AromaticContact CE2-CZ 3.58Å; H487-Y498 HydrophobicContact CB-CE2 4.03Å; H487-Y498 AromaticContact ND1-CE2 3.48Å; H487-Y498 WeakPolarHBondContact ND1-CE2 3.46Å; H487-Y498 AromaticContact ND1-CZ 3.59Å; H487-Y498 PolarHBondContact ND1-OH 3.05Å; M490-Y498 HydrophobicContact CB-CD2 3.67Å; M490-Y498 HydrophobicContact CB-CE2 4.29Å; M490-Y498 HydrophobicContact CE-CE2 4.49Å; Y491-Y498 HydrophobicContact CD2-CD1 4.07Å; Y491-Y498 HydrophobicContact CD2-CG 4.42Å; I495-Y498 PolarHBondContact O-N 2.87Å; I495-Y498 VanDerWaalsContact O-N 3.1Å; G496-Y498 PolarHBondContact O-N 3.07Å; Y498-D500 VanDerWaalsContact C-N 3.31Å; Y498-Q501 HydrophobicContact CD1-CG 4.07Å; Y498-Q501 HydrophobicContact CG-CG 4.44Å; Y498-Q501 WeakPolarHBondContact O-CG 3.35Å; Y498-C504 PolarHBondContact O-SG 2.89Å; Y498-C504 VanDerWaalsContact O-SG 3.36Å |
| 499 | T | 95.6 | Very high | 86 | Confident | 70 Ų | 70 | 50.1 Ų | 50.1 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -30 | 175.8 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | C504 | T499-C504 VanDerWaalsContact O-CB 3.3Å; T499-C504 WeakPolarHBondContact O-CB 3.39Å |
| 500 | D | 92.3 | Very high | 83.1 | Confident | 146 Ų | 146 | 52.5 Ų | 52.5 | 78% | 0.781 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 21.4 | -169.3 | -49.5 | -24.9 | 0 | 0 | 0 | 112.6 | Y498 | Y498-D500 VanDerWaalsContact C-N 3.31Š|
| 501 | Q | 91.5 | Very high | 80.5 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 24% | 0.238 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -75.8 | 151.4 | 178.7 | -54.9 | -62.6 | -60.1 | 0 | 0 | 110.9 | Y491 Y498 H503 C504 | Y491-Q501 HydrophobicContact CD2-CG 3.93Å; Y491-Q501 HydrophobicContact CE2-CB 4.37Å; Y491-Q501 HydrophobicContact CE2-CG 4.03Å; Y498-Q501 HydrophobicContact CD1-CG 4.07Å; Y498-Q501 HydrophobicContact CG-CG 4.44Å; Y498-Q501 WeakPolarHBondContact O-CG 3.35Å; Q501-H503 WeakPolarHBondContact CB-CE1 3.5Å; Q501-H503 WeakPolarHBondContact CB-ND1 3.48Å; Q501-H503 PolarHBondContact O-N 3.14Å; Q501-C504 VanDerWaalsContact O-CB 3.24Å; Q501-C504 WeakPolarHBondContact O-CB 3.4Å; Q501-C504 PolarHBondContact O-N 3.1Å |
| 502 | S | 87.7 | Confident | 78.2 | Confident | 59 Ų | 59 | 59.3 Ų | 59.3 | 41% | 0.413 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.5 | -174.5 | 71.6 | 0 | 0 | 0 | 0 | 114.8 | R512 | S502-R512 PolarHBondContact O-NH2 3.24Š|
| 503 | H | 88.7 | Confident | 75.6 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -0.4 | 176.6 | 65.1 | -67.2 | 0 | 0 | 0 | 114.2 | Y472 Y491 Q501 | Y472-H503 AromaticContact CE2-CD2 3.89Å; Y472-H503 AromaticContact CE2-NE2 3.99Å; Y472-H503 AromaticContact CZ-CD2 3.94Å; Y472-H503 PolarHBondContact OH-CD2 2.83Å; Y491-H503 AromaticContact CD1-CE1 3.98Å; Y491-H503 AromaticContact CD1-NE2 3.89Å; Y491-H503 AromaticContact CD2-CE1 3.76Å; Y491-H503 AromaticContact CE1-CE1 3.51Å; Y491-H503 AromaticContact CE1-NE2 3.62Å; Y491-H503 AromaticContact CE2-CE1 3.28Å; Y491-H503 WeakPolarHBondContact CE2-CE1 3.35Å; Y491-H503 AromaticContact CZ-CE1 3.12Å; Y491-H503 AromaticContact CZ-ND1 3.7Å; Y491-H503 AromaticContact CZ-NE2 3.75Å; Y491-H503 PolarHBondContact O-NE2 3.35Å; Y491-H503 PolarHBondContact OH-CE1 2.73Å; Q501-H503 WeakPolarHBondContact CB-CE1 3.5Å; Q501-H503 WeakPolarHBondContact CB-ND1 3.48Å; Q501-H503 PolarHBondContact O-N 3.14Å |
| 504 | C | 90.7 | Very high | 72.9 | Confident | 23 Ų | 23 | 66.8 Ų | 66.8 | 16% | 0.155 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -18.4 | 174.8 | -58.1 | 0 | 0 | 0 | 0 | 112.9 | C494 Y498 T499 Q501 E506 | C494-C504 HydrophobicContact CB-CB 3.64Å; C494-C504 WeakPolarHBondContact CB-SG 3.37Å; C494-C504 WeakPolarHBondContact SG-CA 3.4Å; C494-C504 WeakPolarHBondContact SG-CB 3.18Å; C494-C504 CovalentContact SG-SG 2.02Å; C494-C504 PolarHBondContact SG-SG 2.67Å; Y498-C504 PolarHBondContact O-SG 2.89Å; Y498-C504 VanDerWaalsContact O-SG 3.36Å; T499-C504 VanDerWaalsContact O-CB 3.3Å; T499-C504 WeakPolarHBondContact O-CB 3.39Å; Q501-C504 VanDerWaalsContact O-CB 3.24Å; Q501-C504 WeakPolarHBondContact O-CB 3.4Å; Q501-C504 PolarHBondContact O-N 3.1Å; C504-E506 PolarHBondContact O-N 2.96Å |
| 505 | D | 83.5 | Confident | 70 | Confident | 108 Ų | 108 | 68.7 Ų | 68.7 | 58% | 0.578 | 43% | 0.428 | S | S | * | . | trans | -70.1 | 109.9 | 175.5 | -66.7 | -30 | 0 | 0 | 0 | 110.9 | G507 N508 | D505-G507 PolarHBondContact O-N 3.31Å; D505-N508 PolarHBondContact O-N 2.91Å; D505-N508 VanDerWaalsContact O-N 3.07Å | ||
| 506 | E | 63.8 | Low | 67.3 | Low | 174 Ų | 174 | 71.5 Ų | 71.5 | 81% | 0.813 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -55.5 | -20.8 | -177.5 | -68.1 | -172.7 | 161.4 | 0 | 0 | 113.9 | C504 N508 | C504-E506 PolarHBondContact O-N 2.96Å; E506-N508 PolarHBondContact O-N 3.37Å |
| 507 | G | 51.3 | Low | 64.7 | Low | 81 Ų | 81 | 77.9 Ų | 77.9 | 84% | 0.835 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -66.2 | -10.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D505 | D505-G507 PolarHBondContact O-N 3.31Š|
| 508 | N | 42.6 | Very low | 62.4 | Low | 73 Ų | 73 | 80.4 Ų | 80.4 | 39% | 0.39 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -108.3 | 17.1 | -176.5 | -117.9 | -11.4 | 0 | 0 | 0 | 114.2 | D505 E506 G510 | D505-N508 PolarHBondContact O-N 2.91Å; D505-N508 VanDerWaalsContact O-N 3.07Å; E506-N508 PolarHBondContact O-N 3.37Å; N508-G510 PolarHBondContact O-N 2.75Å |
| 509 | N | 43.7 | Very low | 60.1 | Low | 116 Ų | 116 | 85 Ų | 85 | 62% | 0.62 | 50% | 0.504 | S | S | * | . | trans | -75.3 | -7.2 | 173.7 | -88.7 | -22.8 | 0 | 0 | 0 | 114.2 | S511 | N509-S511 PolarHBondContact O-N 2.85Š| ||
| 510 | G | 38.6 | Very low | 58 | Low | 52 Ų | 52 | 84.6 Ų | 84.6 | 54% | 0.536 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -64.3 | 132.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | N508 R512 | N508-G510 PolarHBondContact O-N 2.75Å; G510-R512 PolarHBondContact O-N 3.39Å |
| 511 | S | 42.8 | Very low | 56.6 | Low | 86 Ų | 86 | 84.2 Ų | 84.2 | 60% | 0.601 | 49% | 0.49 | S | S | * | . | trans | -32.7 | 117.8 | 173.2 | 55.5 | 0 | 0 | 0 | 0 | 110.3 | N509 L513 S514 | N509-S511 PolarHBondContact O-N 2.85Å; S511-L513 PolarHBondContact O-N 2.92Å; S511-S514 PolarHBondContact O-N 3.32Å | ||
| 512 | R | 51.1 | Low | 55.5 | Low | 57 Ų | 57 | 89.1 Ų | 89.1 | 22% | 0.215 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -62 | 3.5 | -178.3 | -76.6 | 177.1 | 162.9 | -157.1 | -11 | 113.7 | Y58 S502 G510 S514 G515 | Y58-R512 PolarHBondContact OH-NH1 3.34Å; S502-R512 PolarHBondContact O-NH2 3.24Å; G510-R512 PolarHBondContact O-N 3.39Å; R512-S514 PolarHBondContact O-N 3.17Å; R512-S514 VanDerWaalsContact O-N 3.09Å; R512-G515 PolarHBondContact O-N 2.98Å |
| 513 | L | 42.3 | Very low | 54.5 | Low | 73 Ų | 73 | 93.9 Ų | 93.9 | 38% | 0.382 | 52% | 0.518 | S | S | . | . | G | 310 helix | trans | -54.9 | -3.3 | 158.6 | -82.2 | 140.4 | 0 | 0 | 0 | 115.4 | S511 G515 L516 | S511-L513 PolarHBondContact O-N 2.92Å; L513-G515 PolarHBondContact O-N 3.23Å; L513-L516 HydrophobicContact CD2-CB 3.87Å; L513-L516 HydrophobicContact CD2-CD1 3.51Å; L513-L516 HydrophobicContact CD2-CG 4.26Å; L513-L516 HydrophobicContact CG-CD1 4.17Å; L513-L516 WeakPolarHBondContact O-CB 3.35Å; L513-L516 PolarHBondContact O-N 3.38Å |
| 514 | S | 40.3 | Very low | 53.9 | Low | 85 Ų | 85 | 98.6 Ų | 98.6 | 59% | 0.594 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -57.6 | -28.7 | 168.3 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | S511 R512 L516 | S511-S514 PolarHBondContact O-N 3.32Å; R512-S514 PolarHBondContact O-N 3.17Å; R512-S514 VanDerWaalsContact O-N 3.09Å; S514-L516 VanDerWaalsContact C-N 3.32Å; S514-L516 PolarHBondContact O-N 2.89Å |
| 515 | G | 37.1 | Very low | 53.3 | Low | 61 Ų | 61 | 101.2 Ų | 101.2 | 63% | 0.629 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -75.7 | -13.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R512 L513 | R512-G515 PolarHBondContact O-N 2.98Å; L513-G515 PolarHBondContact O-N 3.23Å |
| 516 | L | 40.5 | Very low | 53.1 | Low | 60 Ų | 60 | 102.3 Ų | 102.3 | 31% | 0.314 | 56% | 0.555 | S | S | . | * | G | 310 helix | trans | -92.8 | -6.7 | 178.1 | -94 | 146.8 | 0 | 0 | 0 | 112.9 | L513 S514 L518 N519 N520 | L513-L516 HydrophobicContact CD2-CB 3.87Å; L513-L516 HydrophobicContact CD2-CD1 3.51Å; L513-L516 HydrophobicContact CD2-CG 4.26Å; L513-L516 HydrophobicContact CG-CD1 4.17Å; L513-L516 WeakPolarHBondContact O-CB 3.35Å; L513-L516 PolarHBondContact O-N 3.38Å; S514-L516 VanDerWaalsContact C-N 3.32Å; S514-L516 PolarHBondContact O-N 2.89Å; L516-L518 VanDerWaalsContact C-N 3.3Å; L516-L518 PolarHBondContact O-N 3.35Å; L516-N519 PolarHBondContact O-N 3.39Å; L516-N520 VanDerWaalsContact CD2-OD1 3.29Å; L516-N520 WeakPolarHBondContact CD2-OD1 3.24Å; L516-N520 VanDerWaalsContact O-CB 3.22Å; L516-N520 WeakPolarHBondContact O-CB 3.24Å; L516-N520 PolarHBondContact O-N 3.47Å |
| 517 | H | 43 | Very low | 54 | Low | 157 Ų | 157 | 98.7 Ų | 98.7 | 73% | 0.727 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -23.5 | -178.6 | -107.9 | -70.6 | 0 | 0 | 0 | 114.8 | ||
| 518 | L | 45.8 | Very low | 55.4 | Low | 137 Ų | 137 | 98 Ų | 98 | 72% | 0.717 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -37.4 | 174.4 | -95.5 | 91.2 | 0 | 0 | 0 | 113.6 | L516 Y522 | L516-L518 VanDerWaalsContact C-N 3.3Å; L516-L518 PolarHBondContact O-N 3.35Å; L518-Y522 WeakPolarHBondContact O-CD2 3.35Å |
| 519 | N | 49.1 | Very low | 57.2 | Low | 99 Ų | 99 | 98.8 Ų | 98.8 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -81.8 | -30.6 | -178.5 | -77.7 | -14.6 | 0 | 0 | 0 | 112.8 | L516 F521 Y522 Y523 | L516-N519 PolarHBondContact O-N 3.39Å; N519-F521 VanDerWaalsContact C-N 3.3Å; N519-F521 PolarHBondContact O-N 3.19Å; N519-Y522 PolarHBondContact O-N 3.09Å; N519-Y523 HydrophobicContact CB-CD2 4.48Å; N519-Y523 VanDerWaalsContact O-CD2 3.31Å; N519-Y523 WeakPolarHBondContact O-CD2 3.49Å; N519-Y523 PolarHBondContact O-N 3.17Å |
| 520 | N | 51.1 | Low | 59 | Low | 61 Ų | 61 | 96.7 Ų | 96.7 | 33% | 0.326 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.2 | -26.9 | 176 | -82 | -14.2 | 0 | 0 | 0 | 113.3 | L516 Y522 Y523 L524 | L516-N520 VanDerWaalsContact CD2-OD1 3.29Å; L516-N520 WeakPolarHBondContact CD2-OD1 3.24Å; L516-N520 VanDerWaalsContact O-CB 3.22Å; L516-N520 WeakPolarHBondContact O-CB 3.24Å; L516-N520 PolarHBondContact O-N 3.47Å; N520-Y522 VanDerWaalsContact C-N 3.33Å; N520-Y523 PolarHBondContact O-N 2.92Å; N520-L524 WeakPolarHBondContact O-CB 3.35Å; N520-L524 VanDerWaalsContact O-CG 3.31Å; N520-L524 WeakPolarHBondContact O-CG 3.4Å; N520-L524 PolarHBondContact O-N 3.28Å |
| 521 | F | 63.7 | Low | 61.2 | Low | 138 Ų | 138 | 98.6 Ų | 98.6 | 61% | 0.605 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.1 | -44.5 | 172.4 | -169.4 | -96.2 | 0 | 0 | 0 | 110.3 | N519 L525 | N519-F521 VanDerWaalsContact C-N 3.3Å; N519-F521 PolarHBondContact O-N 3.19Å; F521-L525 HydrophobicContact CE1-CD1 4.43Å; F521-L525 WeakPolarHBondContact O-CB 3.41Å; F521-L525 PolarHBondContact O-N 2.97Å |
| 522 | Y | 68.7 | Low | 63.1 | Low | 155 Ų | 155 | 101.8 Ų | 101.8 | 61% | 0.608 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68 | -40.7 | 175.1 | -66.1 | -71.2 | 0 | 0 | 0 | 112.7 | L518 N519 N520 L525 F526 | L518-Y522 WeakPolarHBondContact O-CD2 3.35Å; N519-Y522 PolarHBondContact O-N 3.09Å; N520-Y522 VanDerWaalsContact C-N 3.33Å; Y522-L525 PolarHBondContact O-N 3.01Å; Y522-F526 WeakPolarHBondContact O-CB 3.16Å; Y522-F526 PolarHBondContact O-N 2.99Å |
| 523 | Y | 66.6 | Low | 64.4 | Low | 158 Ų | 158 | 103.3 Ų | 103.3 | 62% | 0.62 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.7 | -42 | 176.7 | -87.7 | -80.2 | 0 | 0 | 0 | 112.7 | N519 N520 F526 L527 | N519-Y523 HydrophobicContact CB-CD2 4.48Å; N519-Y523 VanDerWaalsContact O-CD2 3.31Å; N519-Y523 WeakPolarHBondContact O-CD2 3.49Å; N519-Y523 PolarHBondContact O-N 3.17Å; N520-Y523 PolarHBondContact O-N 2.92Å; Y523-F526 PolarHBondContact O-N 2.54Å; Y523-L527 WeakPolarHBondContact O-CB 3.14Å; Y523-L527 PolarHBondContact O-N 2.85Å |
| 524 | L | 76.3 | Confident | 66.2 | Low | 116 Ų | 116 | 108.3 Ų | 108.3 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.3 | -39.5 | 174.8 | -76.7 | 163.4 | 0 | 0 | 0 | 111.3 | N520 F526 L527 S528 | N520-L524 WeakPolarHBondContact O-CB 3.35Å; N520-L524 VanDerWaalsContact O-CG 3.31Å; N520-L524 WeakPolarHBondContact O-CG 3.4Å; N520-L524 PolarHBondContact O-N 3.28Å; L524-F526 VanDerWaalsContact C-N 3.32Å; L524-L527 PolarHBondContact O-N 2.82Å; L524-S528 VanDerWaalsContact O-CB 3.29Å; L524-S528 WeakPolarHBondContact O-CB 3.22Å; L524-S528 PolarHBondContact O-N 2.65Å; L524-S528 PolarHBondContact O-OG 3.17Å |
| 525 | L | 77.8 | Confident | 68.2 | Low | 78 Ų | 78 | 110.1 Ų | 110.1 | 41% | 0.408 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 172.6 | -164.9 | 85.5 | 0 | 0 | 0 | 110.3 | F521 Y522 S528 I529 | F521-L525 HydrophobicContact CE1-CD1 4.43Å; F521-L525 WeakPolarHBondContact O-CB 3.41Å; F521-L525 PolarHBondContact O-N 2.97Å; Y522-L525 PolarHBondContact O-N 3.01Å; L525-S528 VanDerWaalsContact CA-OG 3.29Å; L525-S528 WeakPolarHBondContact CA-OG 3.18Å; L525-S528 PolarHBondContact O-N 2.93Å; L525-S528 PolarHBondContact O-OG 3.17Å; L525-I529 HydrophobicContact CD2-CD1 4.29Å; L525-I529 HydrophobicContact CG-CD1 4.06Å; L525-I529 WeakPolarHBondContact O-CB 3.46Å; L525-I529 WeakPolarHBondContact O-CD1 3.41Å; L525-I529 WeakPolarHBondContact O-CG1 3.48Å; L525-I529 PolarHBondContact O-N 3.05Å |
| 526 | F | 79.1 | Confident | 69.5 | Low | 132 Ų | 132 | 115.1 Ų | 115.1 | 58% | 0.579 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.8 | -43.5 | 178.2 | -158.8 | -101.5 | 0 | 0 | 0 | 111.8 | Y522 Y523 L524 I529 I530 | Y522-F526 WeakPolarHBondContact O-CB 3.16Å; Y522-F526 PolarHBondContact O-N 2.99Å; Y523-F526 PolarHBondContact O-N 2.54Å; L524-F526 VanDerWaalsContact C-N 3.32Å; F526-I529 PolarHBondContact O-N 3.03Å; F526-I530 HydrophobicContact CD1-CD1 3.54Å; F526-I530 HydrophobicContact CD1-CG1 4.32Å; F526-I530 HydrophobicContact CE1-CD1 3.55Å; F526-I530 HydrophobicContact CE1-CG1 4.33Å; F526-I530 VanDerWaalsContact O-CG1 3.27Å; F526-I530 WeakPolarHBondContact O-CG1 3.04Å; F526-I530 PolarHBondContact O-N 3.3Å |
| 527 | L | 82.5 | Confident | 70.9 | Confident | 98 Ų | 98 | 117.9 Ų | 117.9 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.4 | -40.8 | 174.2 | -110.4 | 132.2 | 0 | 0 | 0 | 112.1 | Y523 L524 I530 L531 | Y523-L527 WeakPolarHBondContact O-CB 3.14Å; Y523-L527 PolarHBondContact O-N 2.85Å; L524-L527 PolarHBondContact O-N 2.82Å; L527-I530 PolarHBondContact O-N 2.96Å; L527-L531 HydrophobicContact CD2-CD1 4.16Å; L527-L531 WeakPolarHBondContact O-CB 3.29Å; L527-L531 WeakPolarHBondContact O-CD1 3.43Å; L527-L531 PolarHBondContact O-N 3.47Å |
| 528 | S | 80.8 | Confident | 72.4 | Confident | 65 Ų | 65 | 115.8 Ų | 115.8 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -71.1 | -34.5 | 177 | 49.8 | 0 | 0 | 0 | 0 | 112.4 | L524 L525 Y532 | L524-S528 VanDerWaalsContact O-CB 3.29Å; L524-S528 WeakPolarHBondContact O-CB 3.22Å; L524-S528 PolarHBondContact O-N 2.65Å; L524-S528 PolarHBondContact O-OG 3.17Å; L525-S528 VanDerWaalsContact CA-OG 3.29Å; L525-S528 WeakPolarHBondContact CA-OG 3.18Å; L525-S528 PolarHBondContact O-N 2.93Å; L525-S528 PolarHBondContact O-OG 3.17Å; S528-Y532 WeakPolarHBondContact O-CB 3.49Å; S528-Y532 PolarHBondContact O-N 3.31Å |
| 529 | I | 80.8 | Confident | 73.8 | Confident | 90 Ų | 90 | 114.6 Ų | 114.6 | 46% | 0.462 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 169.5 | -70.9 | 163.6 | 0 | 0 | 0 | 110.2 | L525 F526 L531 Y532 T533 | L525-I529 HydrophobicContact CD2-CD1 4.29Å; L525-I529 HydrophobicContact CG-CD1 4.06Å; L525-I529 WeakPolarHBondContact O-CB 3.46Å; L525-I529 WeakPolarHBondContact O-CD1 3.41Å; L525-I529 WeakPolarHBondContact O-CG1 3.48Å; L525-I529 PolarHBondContact O-N 3.05Å; F526-I529 PolarHBondContact O-N 3.03Å; I529-L531 PolarHBondContact O-N 3.39Å; I529-Y532 PolarHBondContact O-N 3.38Å; I529-T533 PolarHBondContact O-N 3.45Å; I529-T533 PolarHBondContact O-OG1 2.96Å |
| 530 | I | 81.8 | Confident | 75.3 | Confident | 72 Ų | 72 | 115.5 Ų | 115.5 | 37% | 0.369 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.2 | -48.8 | 177 | -70.7 | 167.9 | 0 | 0 | 0 | 110.6 | F526 L527 Y532 T533 F534 | F526-I530 HydrophobicContact CD1-CD1 3.54Å; F526-I530 HydrophobicContact CD1-CG1 4.32Å; F526-I530 HydrophobicContact CE1-CD1 3.55Å; F526-I530 HydrophobicContact CE1-CG1 4.33Å; F526-I530 VanDerWaalsContact O-CG1 3.27Å; F526-I530 WeakPolarHBondContact O-CG1 3.04Å; F526-I530 PolarHBondContact O-N 3.3Å; L527-I530 PolarHBondContact O-N 2.96Å; I530-Y532 VanDerWaalsContact C-N 3.34Å; I530-Y532 PolarHBondContact O-N 2.81Å; I530-T533 WeakPolarHBondContact CA-OG1 3.26Å; I530-T533 PolarHBondContact O-N 2.84Å; I530-T533 PolarHBondContact O-OG1 2.69Å; I530-F534 HydrophobicContact CG2-CD2 4.03Å; I530-F534 HydrophobicContact CG2-CE2 4.36Å; I530-F534 PolarHBondContact O-N 3.09Å |
| 531 | L | 83.7 | Confident | 76.8 | Confident | 93 Ų | 93 | 118.9 Ų | 118.9 | 49% | 0.487 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.4 | -41.6 | 177.6 | -103 | 126.4 | 0 | 0 | 0 | 111.8 | L527 I529 F534 I535 | L527-L531 HydrophobicContact CD2-CD1 4.16Å; L527-L531 WeakPolarHBondContact O-CB 3.29Å; L527-L531 WeakPolarHBondContact O-CD1 3.43Å; L527-L531 PolarHBondContact O-N 3.47Å; I529-L531 PolarHBondContact O-N 3.39Å; L531-F534 PolarHBondContact O-N 3.31Å; L531-I535 HydrophobicContact CD2-CD1 4.02Å; L531-I535 WeakPolarHBondContact O-CB 3.48Å; L531-I535 VanDerWaalsContact O-CG1 3.27Å; L531-I535 WeakPolarHBondContact O-CG1 3.48Å; L531-I535 PolarHBondContact O-N 3.16Å |
| 532 | Y | 82.6 | Confident | 77.7 | Confident | 152 Ų | 152 | 117.7 Ų | 117.7 | 60% | 0.596 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.1 | -45.6 | 176.8 | -175.6 | -89.8 | 0 | 0 | 0 | 111.5 | S528 I529 I530 F534 I535 H536 | S528-Y532 WeakPolarHBondContact O-CB 3.49Å; S528-Y532 PolarHBondContact O-N 3.31Å; I529-Y532 PolarHBondContact O-N 3.38Å; I530-Y532 VanDerWaalsContact C-N 3.34Å; I530-Y532 PolarHBondContact O-N 2.81Å; Y532-F534 PolarHBondContact O-N 2.68Å; Y532-I535 PolarHBondContact O-N 2.67Å; Y532-H536 AromaticContact CD2-CD2 3.64Å; Y532-H536 HydrophobicContact CE1-CB 4.37Å; Y532-H536 AromaticContact CE2-CD2 3.3Å; Y532-H536 WeakPolarHBondContact CE2-CD2 3.23Å; Y532-H536 AromaticContact CE2-NE2 3.82Å; Y532-H536 AromaticContact CZ-CD2 3.59Å; Y532-H536 PolarHBondContact O-N 3.06Å |
| 533 | T | 79.9 | Confident | 78.3 | Confident | 89 Ų | 89 | 115 Ų | 115 | 55% | 0.546 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.4 | -16 | 175.7 | 46.9 | 0 | 0 | 0 | 0 | 114.8 | I529 I530 H536 | I529-T533 PolarHBondContact O-N 3.45Å; I529-T533 PolarHBondContact O-OG1 2.96Å; I530-T533 WeakPolarHBondContact CA-OG1 3.26Å; I530-T533 PolarHBondContact O-N 2.84Å; I530-T533 PolarHBondContact O-OG1 2.69Å; T533-H536 VanDerWaalsContact O-OXT 3.13Å |
| 534 | F | 79.2 | Confident | 79.2 | Confident | 179 Ų | 179 | 111.7 Ų | 111.7 | 79% | 0.785 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -89.5 | -26.8 | 173.6 | -103.4 | -84.6 | 0 | 0 | 0 | 112.4 | I530 L531 Y532 | I530-F534 HydrophobicContact CG2-CD2 4.03Å; I530-F534 HydrophobicContact CG2-CE2 4.36Å; I530-F534 PolarHBondContact O-N 3.09Å; L531-F534 PolarHBondContact O-N 3.31Å; Y532-F534 PolarHBondContact O-N 2.68Å |
| 535 | I | 81.3 | Confident | 79.5 | Confident | 122 Ų | 122 | 111.3 Ų | 111.3 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -89.9 | -31.1 | -179 | -68.2 | 168.7 | 0 | 0 | 0 | 111.6 | L531 Y532 | L531-I535 HydrophobicContact CD2-CD1 4.02Å; L531-I535 WeakPolarHBondContact O-CB 3.48Å; L531-I535 VanDerWaalsContact O-CG1 3.27Å; L531-I535 WeakPolarHBondContact O-CG1 3.48Å; L531-I535 PolarHBondContact O-N 3.16Å; Y532-I535 PolarHBondContact O-N 2.67Å |
| 536 | H | 64.2 | Low | 79.6 | Confident | 166 Ų | 166 | 114.4 Ų | 114.4 | 77% | 0.769 | 56% | 0.562 | S | S | * | * | trans | -118.5 | 0 | 178.2 | -67.3 | -63.5 | 0 | 0 | 0 | 110.9 | Y532 T533 | Y532-H536 AromaticContact CD2-CD2 3.64Å; Y532-H536 HydrophobicContact CE1-CB 4.37Å; Y532-H536 AromaticContact CE2-CD2 3.3Å; Y532-H536 WeakPolarHBondContact CE2-CD2 3.23Å; Y532-H536 AromaticContact CE2-NE2 3.82Å; Y532-H536 AromaticContact CZ-CD2 3.59Å; Y532-H536 PolarHBondContact O-N 3.06Å; T533-H536 VanDerWaalsContact O-OXT 3.13Å |
Retrieved 536 of 536 residues in 182.8 ms
(Link to these results)