| 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 | 42 | Very low | 57.8 | Low | 241 Ų | 241 | 128.7 Ų | 128.7 | 100% | 1.187 | 65% | 0.65 | S | S | * | * | 0 | 124.3 | 0 | -79.6 | 172.5 | 156.9 | 0 | 0 | 108.1 | |||||
| 2 | H | 43 | Very low | 58.7 | Low | 160 Ų | 160 | 124.9 Ų | 124.9 | 74% | 0.741 | 64% | 0.638 | S | S | * | * | trans | -71.1 | 144.6 | -172.3 | -90.1 | -64.4 | 0 | 0 | 0 | 112.4 | K4 F5 | H2-K4 PolarHBondContact O-N 2.89Å; H2-K4 VanDerWaalsContact O-N 3.08Å; H2-F5 PolarHBondContact O-N 2.8Å; H2-F5 VanDerWaalsContact O-N 3.12Å | ||
| 3 | P | 57.3 | Low | 59.2 | Low | 100 Ų | 100 | 123.2 Ų | 123.2 | 65% | 0.649 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.7 | -21.2 | -174.2 | 24 | -34.6 | 0 | 0 | 0 | 114.4 | F5 V6 S7 | P3-F5 PolarHBondContact O-N 2.93Å; P3-V6 PolarHBondContact O-N 2.84Å; P3-S7 PolarHBondContact O-N 3.26Å |
| 4 | K | 55.5 | Low | 59.8 | Low | 165 Ų | 165 | 120.4 Ų | 120.4 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.1 | -30 | 176.5 | -64.6 | -175.8 | 178.5 | 179.3 | 0 | 113 | H2 S7 I8 | H2-K4 PolarHBondContact O-N 2.89Å; H2-K4 VanDerWaalsContact O-N 3.08Å; K4-S7 PolarHBondContact O-OG 3.04Å; K4-I8 WeakPolarHBondContact O-CD1 3.31Å; K4-I8 VanDerWaalsContact O-CG1 3.31Å; K4-I8 WeakPolarHBondContact O-CG1 3.44Å; K4-I8 PolarHBondContact O-N 3.19Å |
| 5 | F | 52.2 | Low | 60 | Low | 150 Ų | 150 | 115.7 Ų | 115.7 | 66% | 0.658 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -71.2 | -39.7 | 178.6 | -121.7 | -89.6 | 0 | 0 | 0 | 111.4 | H2 P3 S7 I8 E9 | H2-F5 PolarHBondContact O-N 2.8Å; H2-F5 VanDerWaalsContact O-N 3.12Å; P3-F5 PolarHBondContact O-N 2.93Å; F5-S7 PolarHBondContact O-N 2.91Å; F5-I8 PolarHBondContact O-N 3.08Å; F5-E9 PolarHBondContact O-N 2.69Å; F5-E9 VanDerWaalsContact O-N 3.13Å |
| 6 | V | 57.7 | Low | 60.1 | Low | 95 Ų | 95 | 115.7 Ų | 115.7 | 58% | 0.576 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.3 | -39.6 | 179.7 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | P3 I8 E9 M10 | P3-V6 PolarHBondContact O-N 2.84Å; V6-I8 VanDerWaalsContact C-N 3.35Å; V6-I8 PolarHBondContact O-N 3.12Å; V6-E9 PolarHBondContact O-N 3.22Å; V6-M10 WeakPolarHBondContact O-CG 3.43Å; V6-M10 PolarHBondContact O-N 3.22Å |
| 7 | S | 62.2 | Low | 60 | Low | 60 Ų | 60 | 113.2 Ų | 113.2 | 42% | 0.42 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.8 | -36.8 | 176.7 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | P3 K4 F5 I11 | P3-S7 PolarHBondContact O-N 3.26Å; K4-S7 PolarHBondContact O-OG 3.04Å; F5-S7 PolarHBondContact O-N 2.91Å; S7-I11 WeakPolarHBondContact O-CD1 3.21Å; S7-I11 WeakPolarHBondContact O-CG1 3.46Å; S7-I11 PolarHBondContact O-N 3.34Å |
| 8 | I | 68.5 | Low | 60.1 | Low | 100 Ų | 100 | 110.2 Ų | 110.2 | 51% | 0.513 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.6 | -43.4 | 178.4 | -68 | 166.2 | 0 | 0 | 0 | 110 | K4 F5 V6 M10 I11 V12 | K4-I8 WeakPolarHBondContact O-CD1 3.31Å; K4-I8 VanDerWaalsContact O-CG1 3.31Å; K4-I8 WeakPolarHBondContact O-CG1 3.44Å; K4-I8 PolarHBondContact O-N 3.19Å; F5-I8 PolarHBondContact O-N 3.08Å; V6-I8 VanDerWaalsContact C-N 3.35Å; V6-I8 PolarHBondContact O-N 3.12Å; I8-M10 PolarHBondContact O-N 2.89Å; I8-I11 PolarHBondContact O-N 2.91Å; I8-V12 HydrophobicContact CG2-CG2 4.37Å; I8-V12 VanDerWaalsContact O-CG2 3.29Å; I8-V12 WeakPolarHBondContact O-CG2 3.46Å; I8-V12 PolarHBondContact O-N 3.26Å |
| 9 | E | 60.5 | Low | 60 | Low | 121 Ų | 121 | 108.6 Ų | 108.6 | 57% | 0.565 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.9 | -39.2 | 177.7 | -66.6 | -148.9 | 169 | 0 | 0 | 112.7 | F5 V6 I11 V12 L13 | F5-E9 PolarHBondContact O-N 2.69Å; F5-E9 VanDerWaalsContact O-N 3.13Å; V6-E9 PolarHBondContact O-N 3.22Å; E9-I11 PolarHBondContact O-N 3.3Å; E9-V12 PolarHBondContact O-N 3.31Å; E9-L13 WeakPolarHBondContact O-CB 3.2Å; E9-L13 PolarHBondContact O-N 3.33Å |
| 10 | M | 66.6 | Low | 59.5 | Low | 106 Ų | 106 | 107.2 Ų | 107.2 | 52% | 0.522 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.3 | -40.1 | 174.4 | -76.5 | -64.8 | -64.3 | 0 | 0 | 112.5 | V6 I8 L13 C14 | V6-M10 WeakPolarHBondContact O-CG 3.43Å; V6-M10 PolarHBondContact O-N 3.22Å; I8-M10 PolarHBondContact O-N 2.89Å; M10-L13 PolarHBondContact O-N 3.16Å; M10-C14 WeakPolarHBondContact O-CB 3.29Å; M10-C14 PolarHBondContact O-N 2.93Å |
| 11 | I | 69.9 | Low | 59.2 | Low | 118 Ų | 118 | 112.2 Ų | 112.2 | 61% | 0.605 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.8 | -41.8 | 176.7 | -67.8 | 163.8 | 0 | 0 | 0 | 110.5 | S7 I8 E9 C14 A15 | S7-I11 WeakPolarHBondContact O-CD1 3.21Å; S7-I11 WeakPolarHBondContact O-CG1 3.46Å; S7-I11 PolarHBondContact O-N 3.34Å; I8-I11 PolarHBondContact O-N 2.91Å; E9-I11 PolarHBondContact O-N 3.3Å; I11-C14 PolarHBondContact O-N 3.45Å; I11-A15 WeakPolarHBondContact O-CB 3.31Å; I11-A15 PolarHBondContact O-N 3.48Å |
| 12 | V | 68.7 | Low | 59.8 | Low | 83 Ų | 83 | 105 Ų | 105 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.4 | -41.7 | 176.9 | 173 | 0 | 0 | 0 | 0 | 111.1 | I8 E9 A15 M16 | I8-V12 HydrophobicContact CG2-CG2 4.37Å; I8-V12 VanDerWaalsContact O-CG2 3.29Å; I8-V12 WeakPolarHBondContact O-CG2 3.46Å; I8-V12 PolarHBondContact O-N 3.26Å; E9-V12 PolarHBondContact O-N 3.31Å; V12-A15 PolarHBondContact O-N 3.27Å; V12-M16 HydrophobicContact CG1-CG 4.43Å; V12-M16 WeakPolarHBondContact O-CB 3.45Å; V12-M16 WeakPolarHBondContact O-CG 3.39Å; V12-M16 PolarHBondContact O-N 3.29Å |
| 13 | L | 65.7 | Low | 60 | Low | 103 Ų | 103 | 103.4 Ų | 103.4 | 54% | 0.539 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.7 | -43.6 | 175.7 | -118.3 | 119.6 | 0 | 0 | 0 | 111.8 | E9 M10 M16 C17 | E9-L13 WeakPolarHBondContact O-CB 3.2Å; E9-L13 PolarHBondContact O-N 3.33Å; M10-L13 PolarHBondContact O-N 3.16Å; L13-M16 PolarHBondContact O-N 3.04Å; L13-C17 WeakPolarHBondContact O-CB 3.34Å; L13-C17 PolarHBondContact O-N 3.06Å; L13-C17 PolarHBondContact O-SG 3.22Å; L13-C17 VanDerWaalsContact O-SG 3.36Å |
| 14 | C | 67.5 | Low | 59.3 | Low | 83 Ų | 83 | 101.5 Ų | 101.5 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.6 | -40.9 | 175.5 | -81.5 | 0 | 0 | 0 | 0 | 112.4 | M10 I11 C17 A18 | M10-C14 WeakPolarHBondContact O-CB 3.29Å; M10-C14 PolarHBondContact O-N 2.93Å; I11-C14 PolarHBondContact O-N 3.45Å; C14-C17 PolarHBondContact O-N 3.13Å; C14-A18 WeakPolarHBondContact O-CB 3.28Å; C14-A18 PolarHBondContact O-N 3.21Å |
| 15 | A | 62.9 | Low | 58.4 | Low | 50 Ų | 50 | 99.6 Ų | 99.6 | 41% | 0.413 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.3 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I11 V12 A18 V19 | I11-A15 WeakPolarHBondContact O-CB 3.31Å; I11-A15 PolarHBondContact O-N 3.48Å; V12-A15 PolarHBondContact O-N 3.27Å; A15-A18 PolarHBondContact O-N 3.47Å; A15-V19 WeakPolarHBondContact O-CG2 3.27Å; A15-V19 PolarHBondContact O-N 3.49Å |
| 16 | M | 61.7 | Low | 57.7 | Low | 116 Ų | 116 | 101.2 Ų | 101.2 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.9 | -41.9 | 175.4 | -74.7 | -66.9 | -74.9 | 0 | 0 | 111.7 | V12 L13 A18 V19 L20 | V12-M16 HydrophobicContact CG1-CG 4.43Å; V12-M16 WeakPolarHBondContact O-CB 3.45Å; V12-M16 WeakPolarHBondContact O-CG 3.39Å; V12-M16 PolarHBondContact O-N 3.29Å; L13-M16 PolarHBondContact O-N 3.04Å; M16-A18 VanDerWaalsContact C-N 3.3Å; M16-A18 PolarHBondContact O-N 3.34Å; M16-V19 PolarHBondContact O-N 3.14Å; M16-L20 WeakPolarHBondContact O-CB 3.5Å; M16-L20 PolarHBondContact O-N 3.32Å |
| 17 | C | 58.8 | Low | 56.9 | Low | 74 Ų | 74 | 100 Ų | 100 | 50% | 0.5 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.8 | -34.9 | 174.5 | -75.1 | 0 | 0 | 0 | 0 | 112.7 | L13 C14 R21 | L13-C17 WeakPolarHBondContact O-CB 3.34Å; L13-C17 PolarHBondContact O-N 3.06Å; L13-C17 PolarHBondContact O-SG 3.22Å; L13-C17 VanDerWaalsContact O-SG 3.36Å; C14-C17 PolarHBondContact O-N 3.13Å; C17-R21 WeakPolarHBondContact O-CB 3.49Å; C17-R21 PolarHBondContact O-N 3.5Å; C17-R21 VanDerWaalsContact O-N 3.1Å |
| 18 | A | 61.8 | Low | 55.9 | Low | 59 Ų | 59 | 102 Ų | 102 | 49% | 0.488 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.8 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C14 A15 M16 R21 S22 | C14-A18 WeakPolarHBondContact O-CB 3.28Å; C14-A18 PolarHBondContact O-N 3.21Å; A15-A18 PolarHBondContact O-N 3.47Å; M16-A18 VanDerWaalsContact C-N 3.3Å; M16-A18 PolarHBondContact O-N 3.34Å; A18-R21 PolarHBondContact O-N 2.98Å; A18-S22 PolarHBondContact O-N 3.44Å |
| 19 | V | 57.5 | Low | 54.7 | Low | 80 Ų | 80 | 102.6 Ų | 102.6 | 49% | 0.485 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68 | -36.6 | 177.2 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | A15 M16 S22 N23 | A15-V19 WeakPolarHBondContact O-CG2 3.27Å; A15-V19 PolarHBondContact O-N 3.49Å; M16-V19 PolarHBondContact O-N 3.14Å; V19-S22 PolarHBondContact O-N 3.21Å; V19-S22 PolarHBondContact O-OG 2.79Å; V19-N23 PolarHBondContact O-N 3.12Å |
| 20 | L | 50.9 | Low | 53.8 | Low | 79 Ų | 79 | 100.6 Ų | 100.6 | 41% | 0.414 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.3 | -39.5 | 173.8 | -120.9 | 75.9 | 0 | 0 | 0 | 111.7 | M16 N23 | M16-L20 WeakPolarHBondContact O-CB 3.5Å; M16-L20 PolarHBondContact O-N 3.32Å; L20-N23 PolarHBondContact O-N 2.8Å |
| 21 | R | 51.8 | Low | 52.7 | Low | 214 Ų | 214 | 98.2 Ų | 98.2 | 81% | 0.808 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67 | -35.8 | 176.2 | -88 | -176.9 | 171.2 | 170.5 | -1.2 | 112.7 | C17 A18 N23 G24 | C17-R21 WeakPolarHBondContact O-CB 3.49Å; C17-R21 PolarHBondContact O-N 3.5Å; C17-R21 VanDerWaalsContact O-N 3.1Å; A18-R21 PolarHBondContact O-N 2.98Å; R21-N23 VanDerWaalsContact C-N 3.3Å; R21-N23 PolarHBondContact O-N 3.01Å; R21-G24 PolarHBondContact O-N 3.37Å |
| 22 | S | 54.6 | Low | 51.6 | Low | 89 Ų | 89 | 96.6 Ų | 96.6 | 62% | 0.622 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.2 | -27.2 | 177.9 | 62.2 | 0 | 0 | 0 | 0 | 113 | A18 V19 G24 | A18-S22 PolarHBondContact O-N 3.44Å; V19-S22 PolarHBondContact O-N 3.21Å; V19-S22 PolarHBondContact O-OG 2.79Å; S22-G24 VanDerWaalsContact C-N 3.27Å; S22-G24 PolarHBondContact O-N 2.86Å |
| 23 | N | 47.9 | Very low | 50.3 | Low | 126 Ų | 126 | 95.8 Ų | 95.8 | 67% | 0.674 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 14.9 | 177.1 | -72.3 | -14.5 | 0 | 0 | 0 | 113.9 | V19 L20 R21 L25 | V19-N23 PolarHBondContact O-N 3.12Å; L20-N23 PolarHBondContact O-N 2.8Å; R21-N23 VanDerWaalsContact C-N 3.3Å; R21-N23 PolarHBondContact O-N 3.01Å; N23-L25 PolarHBondContact O-N 2.87Å |
| 24 | G | 41.6 | Very low | 49.4 | Very low | 60 Ų | 60 | 96.1 Ų | 96.1 | 62% | 0.619 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66 | 7.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R21 S22 H26 | R21-G24 PolarHBondContact O-N 3.37Å; S22-G24 VanDerWaalsContact C-N 3.27Å; S22-G24 PolarHBondContact O-N 2.86Å; G24-H26 VanDerWaalsContact C-N 3.33Å; G24-H26 PolarHBondContact O-N 2.97Å |
| 25 | L | 36.5 | Very low | 48.3 | Very low | 125 Ų | 125 | 98.7 Ų | 98.7 | 65% | 0.654 | 59% | 0.591 | S | S | * | * | trans | -83.5 | 84.1 | 177.3 | -136.1 | 79.7 | 0 | 0 | 0 | 108.6 | N23 S27 | N23-L25 PolarHBondContact O-N 2.87Å; L25-S27 PolarHBondContact O-N 3.46Å | ||
| 26 | H | 39.2 | Very low | 47.4 | Very low | 184 Ų | 184 | 102.6 Ų | 102.6 | 85% | 0.852 | 60% | 0.601 | S | S | * | * | trans | -65.8 | 69.2 | 163.9 | -102.8 | -83.9 | 0 | 0 | 0 | 109.3 | G24 P28 | G24-H26 VanDerWaalsContact C-N 3.33Å; G24-H26 PolarHBondContact O-N 2.97Å; H26-P28 VanDerWaalsContact O-CD 3.28Å; H26-P28 WeakPolarHBondContact O-CD 3.49Å | ||
| 27 | S | 39.8 | Very low | 46.9 | Very low | 70 Ų | 70 | 104.3 Ų | 104.3 | 49% | 0.49 | 61% | 0.605 | S | S | . | * | trans | -74.1 | 114.2 | 159.2 | 54 | 0 | 0 | 0 | 0 | 106.6 | L25 | L25-S27 PolarHBondContact O-N 3.46Š| ||
| 28 | P | 41.1 | Very low | 46.1 | Very low | 102 Ų | 102 | 105 Ų | 105 | 66% | 0.662 | 60% | 0.604 | S | S | * | * | trans | -55.6 | 147.9 | 170.8 | 25.9 | -33 | 0 | 0 | 0 | 107.9 | H26 S30 | H26-P28 VanDerWaalsContact O-CD 3.28Å; H26-P28 WeakPolarHBondContact O-CD 3.49Å; P28-S30 VanDerWaalsContact C-N 3.26Å; P28-S30 PolarHBondContact O-N 3.49Å | ||
| 29 | P | 44.4 | Very low | 45.3 | Very low | 112 Ų | 112 | 109.4 Ų | 109.4 | 73% | 0.727 | 61% | 0.608 | S | S | * | * | trans | -58.1 | 99.5 | 175.2 | 25.6 | -32.4 | 0 | 0 | 0 | 106.8 | G31 | P29-G31 PolarHBondContact O-N 3.43Š| ||
| 30 | S | 40.2 | Very low | 44.9 | Very low | 79 Ų | 79 | 109.7 Ų | 109.7 | 55% | 0.552 | 61% | 0.611 | S | S | * | * | trans | -60.5 | 129.1 | 175.6 | 44.1 | 0 | 0 | 0 | 0 | 105.1 | P28 P32 A33 | P28-S30 VanDerWaalsContact C-N 3.26Å; P28-S30 PolarHBondContact O-N 3.49Å; S30-P32 WeakPolarHBondContact O-CD 3.48Å; S30-A33 PolarHBondContact O-N 2.88Å | ||
| 31 | G | 44.7 | Very low | 44.9 | Very low | 57 Ų | 57 | 112.9 Ų | 112.9 | 59% | 0.588 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.1 | -19.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | P29 A33 | P29-G31 PolarHBondContact O-N 3.43Å; G31-A33 PolarHBondContact O-N 2.92Å |
| 32 | P | 45.6 | Very low | 44.6 | Very low | 83 Ų | 83 | 107.6 Ų | 107.6 | 54% | 0.539 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -72.4 | -26.3 | 179.4 | 4.7 | 4 | 0 | 0 | 0 | 114.1 | S30 I34 Q35 E36 | S30-P32 WeakPolarHBondContact O-CD 3.48Å; P32-I34 PolarHBondContact O-N 3.23Å; P32-Q35 PolarHBondContact O-N 3.35Å; P32-E36 PolarHBondContact O-N 2.89Å |
| 33 | A | 42.9 | Very low | 43.9 | Very low | 67 Ų | 67 | 109.4 Ų | 109.4 | 55% | 0.554 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.7 | -34.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S30 G31 Q35 | S30-A33 PolarHBondContact O-N 2.88Å; G31-A33 PolarHBondContact O-N 2.92Å; A33-Q35 VanDerWaalsContact C-N 3.3Å |
| 34 | I | 45.7 | Very low | 44 | Very low | 109 Ų | 109 | 113.5 Ų | 113.5 | 56% | 0.559 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74.1 | -26.6 | 175.7 | -57.4 | 176.6 | 0 | 0 | 0 | 110.6 | P32 | P32-I34 PolarHBondContact O-N 3.23Å |
| 35 | Q | 43.9 | Very low | 44.3 | Very low | 137 Ų | 137 | 117 Ų | 117 | 64% | 0.64 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.9 | -33.6 | 179.6 | -159.6 | 174.2 | 52.1 | 0 | 0 | 112.6 | P32 A33 | P32-Q35 PolarHBondContact O-N 3.35Å; A33-Q35 VanDerWaalsContact C-N 3.3Å |
| 36 | E | 45 | Very low | 44.7 | Very low | 132 Ų | 132 | 118.9 Ų | 118.9 | 62% | 0.617 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -72.5 | -31.6 | 175.7 | -84.4 | -171.8 | 151.9 | 0 | 0 | 113.5 | P32 N38 R39 P40 | P32-E36 PolarHBondContact O-N 2.89Å; E36-N38 VanDerWaalsContact C-N 3.26Å; E36-N38 PolarHBondContact O-N 3Å; E36-R39 PolarHBondContact O-N 3.26Å; E36-P40 WeakPolarHBondContact O-CD 3.45Å |
| 37 | F | 51.3 | Low | 45 | Very low | 153 Ų | 153 | 119.3 Ų | 119.3 | 67% | 0.671 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.6 | -26.6 | 179 | -146.1 | -92.8 | 0 | 0 | 0 | 113 | ||
| 38 | N | 40.7 | Very low | 45.4 | Very low | 87 Ų | 87 | 126.5 Ų | 126.5 | 47% | 0.465 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -88.9 | -18.1 | 178.5 | -76.1 | -37.7 | 0 | 0 | 0 | 114.4 | E36 F41 E42 | E36-N38 VanDerWaalsContact C-N 3.26Å; E36-N38 PolarHBondContact O-N 3Å; N38-F41 PolarHBondContact O-N 2.91Å; N38-F41 VanDerWaalsContact O-N 3.11Å; N38-E42 PolarHBondContact O-N 3.22Å; N38-E42 VanDerWaalsContact O-N 3.15Å |
| 39 | R | 45.1 | Very low | 45.5 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 58% | 0.577 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -56.1 | -41.2 | -179.6 | -99.7 | -177.3 | 171.1 | 164.8 | -1.2 | 115.5 | E36 F41 | E36-R39 PolarHBondContact O-N 3.26Å; R39-F41 VanDerWaalsContact C-N 3.28Å; R39-F41 PolarHBondContact O-N 3.17Å |
| 40 | P | 49.6 | Very low | 46 | Very low | 85 Ų | 85 | 129.7 Ų | 129.7 | 55% | 0.552 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.5 | -22.9 | 179 | 24.9 | -31 | 0 | 0 | 0 | 113.1 | E36 | E36-P40 WeakPolarHBondContact O-CD 3.45Å |
| 41 | F | 50.5 | Low | 46.5 | Very low | 147 Ų | 147 | 131.8 Ų | 131.8 | 65% | 0.645 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -83.5 | -32.7 | 178.8 | -91.1 | -85.3 | 0 | 0 | 0 | 113.3 | N38 R39 N43 R44 L45 | N38-F41 PolarHBondContact O-N 2.91Å; N38-F41 VanDerWaalsContact O-N 3.11Å; R39-F41 VanDerWaalsContact C-N 3.28Å; R39-F41 PolarHBondContact O-N 3.17Å; F41-N43 PolarHBondContact O-N 3.46Å; F41-R44 PolarHBondContact O-N 3.14Å; F41-L45 PolarHBondContact O-N 3.44Å |
| 42 | E | 45.1 | Very low | 47.2 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 48% | 0.481 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -62.8 | -41.9 | 176.3 | -72.9 | -172.4 | 161.9 | 0 | 0 | 111.9 | N38 R44 L45 Y46 | N38-E42 PolarHBondContact O-N 3.22Å; N38-E42 VanDerWaalsContact O-N 3.15Å; E42-R44 VanDerWaalsContact C-N 3.26Å; E42-R44 PolarHBondContact O-N 3.06Å; E42-L45 PolarHBondContact O-N 3.43Å; E42-L45 VanDerWaalsContact O-N 3.08Å; E42-Y46 HydrophobicContact CB-CE2 4.22Å; E42-Y46 WeakPolarHBondContact O-CD2 3.44Å; E42-Y46 WeakPolarHBondContact O-CE2 3.35Å; E42-Y46 PolarHBondContact O-N 2.98Å |
| 43 | N | 41.8 | Very low | 48.1 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 68% | 0.679 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.7 | -24.4 | -178.3 | -80.7 | -22.8 | 0 | 0 | 0 | 114.6 | F41 | F41-N43 PolarHBondContact O-N 3.46Å |
| 44 | R | 48.9 | Very low | 49.6 | Very low | 212 Ų | 212 | 135.8 Ų | 135.8 | 80% | 0.8 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -82.5 | -25.8 | 174.9 | -77.5 | -169.9 | -176.7 | -166.2 | 1.5 | 113.1 | F41 E42 | F41-R44 PolarHBondContact O-N 3.14Å; E42-R44 VanDerWaalsContact C-N 3.26Å; E42-R44 PolarHBondContact O-N 3.06Å |
| 45 | L | 47.6 | Very low | 51 | Low | 134 Ų | 134 | 136.1 Ų | 136.1 | 70% | 0.702 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74.8 | -28.4 | -179.1 | -90.2 | 156.8 | 0 | 0 | 0 | 112.8 | F41 E42 K47 | F41-L45 PolarHBondContact O-N 3.44Å; E42-L45 PolarHBondContact O-N 3.43Å; E42-L45 VanDerWaalsContact O-N 3.08Å; L45-K47 VanDerWaalsContact C-N 3.26Å; L45-K47 PolarHBondContact O-N 2.99Å |
| 46 | Y | 44.6 | Very low | 52.1 | Low | 163 Ų | 163 | 135 Ų | 135 | 64% | 0.639 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -17.2 | 179.3 | -70.5 | -72.5 | 0 | 0 | 0 | 115 | E42 | E42-Y46 HydrophobicContact CB-CE2 4.22Å; E42-Y46 WeakPolarHBondContact O-CD2 3.44Å; E42-Y46 WeakPolarHBondContact O-CE2 3.35Å; E42-Y46 PolarHBondContact O-N 2.98Å |
| 47 | K | 46.1 | Very low | 53.5 | Low | 194 Ų | 194 | 133.2 Ų | 133.2 | 84% | 0.843 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -11.2 | -177.1 | -98.1 | -177.7 | 178 | -178.7 | 0 | 115.3 | L45 | L45-K47 VanDerWaalsContact C-N 3.26Å; L45-K47 PolarHBondContact O-N 2.99Å |
| 48 | R | 48.7 | Very low | 54.4 | Low | 221 Ų | 221 | 133.8 Ų | 133.8 | 83% | 0.834 | 65% | 0.65 | S | S | * | * | trans | -105.7 | 64.4 | 174.5 | -68.2 | -173.7 | 177.7 | -177.6 | -1.8 | 109.8 | V50 | R48-V50 PolarHBondContact O-N 3.33Š| ||
| 49 | Q | 43 | Very low | 55.7 | Low | 181 Ų | 181 | 132.2 Ų | 132.2 | 85% | 0.846 | 65% | 0.649 | S | S | * | * | trans | -69.3 | 78.2 | 158.6 | -91.7 | 167.4 | 2.3 | 0 | 0 | 108 | ||||
| 50 | V | 55.7 | Low | 56.6 | Low | 100 Ų | 100 | 127.1 Ų | 127.1 | 61% | 0.606 | 64% | 0.64 | S | S | * | * | trans | -64.4 | 132.6 | 156.5 | -178.8 | 0 | 0 | 0 | 0 | 105.4 | R48 V52 | R48-V50 PolarHBondContact O-N 3.33Å; V50-V52 VanDerWaalsContact C-N 3.35Å; V50-V52 WeakPolarHBondContact O-CG2 3.33Å; V50-V52 PolarHBondContact O-N 2.82Å | ||
| 51 | P | 49.2 | Very low | 57.4 | Low | 122 Ų | 122 | 128.9 Ų | 128.9 | 79% | 0.792 | 64% | 0.642 | S | S | * | * | trans | -59.2 | 102.6 | 172.6 | 23.8 | -31.4 | 0 | 0 | 0 | 107.7 | ||||
| 52 | V | 59.6 | Low | 58 | Low | 87 Ų | 87 | 125.1 Ų | 125.1 | 53% | 0.527 | 64% | 0.638 | S | S | . | * | trans | -80 | 122.8 | 177.6 | -176.1 | 0 | 0 | 0 | 0 | 106.4 | V50 Q57 | V50-V52 VanDerWaalsContact C-N 3.35Å; V50-V52 WeakPolarHBondContact O-CG2 3.33Å; V50-V52 PolarHBondContact O-N 2.82Å; V52-Q57 HydrophobicContact CG1-CB 3.84Å; V52-Q57 HydrophobicContact CG1-CG 4.45Å | ||
| 53 | D | 65.4 | Low | 58.7 | Low | 106 Ų | 106 | 125 Ų | 125 | 57% | 0.567 | 65% | 0.649 | S | S | * | * | trans | -53.5 | 129.7 | 173.3 | -78.2 | -35.6 | 0 | 0 | 0 | 109.8 | V55 L56 Q57 | D53-V55 PolarHBondContact O-N 2.93Å; D53-V55 VanDerWaalsContact O-N 3.08Å; D53-L56 HydrophobicContact CB-CB 4.27Å; D53-L56 HydrophobicContact CB-CD1 4.25Å; D53-L56 PolarHBondContact O-N 3.31Å; D53-Q57 PolarHBondContact O-N 3.1Å | ||
| 54 | P | 74.2 | Confident | 59.6 | Low | 98 Ų | 98 | 129 Ų | 129 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -61 | -26.6 | -174.6 | 22.4 | -32.7 | 0 | 0 | 0 | 112.3 | K58 | P54-K58 VanDerWaalsContact O-CB 3.3Å; P54-K58 WeakPolarHBondContact O-CB 3.48Å; P54-K58 PolarHBondContact O-N 3.45Å |
| 55 | V | 74.3 | Confident | 59.6 | Low | 117 Ų | 117 | 125.6 Ų | 125.6 | 71% | 0.709 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.6 | -47 | 175.1 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | D53 K58 A59 | D53-V55 PolarHBondContact O-N 2.93Å; D53-V55 VanDerWaalsContact O-N 3.08Å; V55-K58 PolarHBondContact O-N 3.02Å; V55-A59 WeakPolarHBondContact O-CB 3.31Å; V55-A59 PolarHBondContact O-N 3.4Å |
| 56 | L | 68.1 | Low | 59.8 | Low | 112 Ų | 112 | 124.6 Ų | 124.6 | 59% | 0.586 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -67.3 | -37.7 | 176.7 | -87.6 | 161.6 | 0 | 0 | 0 | 111.3 | D53 K58 A59 A60 | D53-L56 HydrophobicContact CB-CB 4.27Å; D53-L56 HydrophobicContact CB-CD1 4.25Å; D53-L56 PolarHBondContact O-N 3.31Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 3.38Å; L56-A59 PolarHBondContact O-N 2.97Å; L56-A60 VanDerWaalsContact O-CB 3.28Å; L56-A60 WeakPolarHBondContact O-CB 3.42Å; L56-A60 PolarHBondContact O-N 3.42Å |
| 57 | Q | 73.1 | Confident | 60.2 | Low | 96 Ų | 96 | 120.8 Ų | 120.8 | 45% | 0.449 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -63.1 | -41.8 | 174.3 | -166.2 | 175.6 | 12.3 | 0 | 0 | 111.5 | V52 D53 A60 M61 | V52-Q57 HydrophobicContact CG1-CB 3.84Å; V52-Q57 HydrophobicContact CG1-CG 4.45Å; D53-Q57 PolarHBondContact O-N 3.1Å; Q57-A60 PolarHBondContact O-N 3.32Å; Q57-M61 WeakPolarHBondContact O-CB 3.4Å; Q57-M61 WeakPolarHBondContact O-CG 3.35Å; Q57-M61 PolarHBondContact O-N 3.15Å |
| 58 | K | 71.1 | Confident | 60.5 | Low | 164 Ų | 164 | 116 Ų | 116 | 71% | 0.713 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.9 | -38.8 | 176.3 | -162.6 | 174.4 | -174.2 | 178.9 | 0 | 112 | P54 V55 L56 M61 A62 | P54-K58 VanDerWaalsContact O-CB 3.3Å; P54-K58 WeakPolarHBondContact O-CB 3.48Å; P54-K58 PolarHBondContact O-N 3.45Å; V55-K58 PolarHBondContact O-N 3.02Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 3.38Å; K58-M61 PolarHBondContact O-N 3.11Å; K58-A62 WeakPolarHBondContact O-CB 3.5Å; K58-A62 PolarHBondContact O-N 3.41Å |
| 59 | A | 67.2 | Low | 60.8 | Low | 54 Ų | 54 | 110.3 Ų | 110.3 | 45% | 0.446 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.3 | -41.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V55 L56 A62 S63 | V55-A59 WeakPolarHBondContact O-CB 3.31Å; V55-A59 PolarHBondContact O-N 3.4Å; L56-A59 PolarHBondContact O-N 2.97Å; A59-A62 PolarHBondContact O-N 3.36Å; A59-S63 WeakPolarHBondContact O-CB 3.43Å; A59-S63 PolarHBondContact O-N 2.91Å |
| 60 | A | 64 | Low | 61.2 | Low | 46 Ų | 46 | 104.7 Ų | 104.7 | 38% | 0.38 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.6 | -38.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L56 Q57 S63 R64 | L56-A60 VanDerWaalsContact O-CB 3.28Å; L56-A60 WeakPolarHBondContact O-CB 3.42Å; L56-A60 PolarHBondContact O-N 3.42Å; Q57-A60 PolarHBondContact O-N 3.32Å; A60-S63 PolarHBondContact O-N 3.08Å; A60-R64 VanDerWaalsContact O-CB 3.27Å; A60-R64 WeakPolarHBondContact O-CB 3.42Å; A60-R64 VanDerWaalsContact O-CG 3.27Å; A60-R64 WeakPolarHBondContact O-CG 3.41Å; A60-R64 PolarHBondContact O-N 3.19Å |
| 61 | M | 67.6 | Low | 61.1 | Low | 123 Ų | 123 | 102.1 Ų | 102.1 | 61% | 0.606 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.5 | -41.1 | 171 | -79.3 | -177.9 | 155.8 | 0 | 0 | 111.7 | Q57 K58 S63 R64 M65 | Q57-M61 WeakPolarHBondContact O-CB 3.4Å; Q57-M61 WeakPolarHBondContact O-CG 3.35Å; Q57-M61 PolarHBondContact O-N 3.15Å; K58-M61 PolarHBondContact O-N 3.11Å; M61-S63 VanDerWaalsContact C-N 3.31Å; M61-S63 PolarHBondContact O-N 3.5Å; M61-R64 PolarHBondContact O-N 3.4Å; M61-M65 PolarHBondContact O-N 3.47Å |
| 62 | A | 63.1 | Low | 61.2 | Low | 68 Ų | 68 | 102.9 Ų | 102.9 | 56% | 0.562 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.9 | -34.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K58 A59 | K58-A62 WeakPolarHBondContact O-CB 3.5Å; K58-A62 PolarHBondContact O-N 3.41Å; A59-A62 PolarHBondContact O-N 3.36Å |
| 63 | S | 60.3 | Low | 60.9 | Low | 101 Ų | 101 | 105.8 Ų | 105.8 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -76.8 | -31.4 | 175.7 | 168.4 | 0 | 0 | 0 | 0 | 113.3 | A59 A60 M61 | A59-S63 WeakPolarHBondContact O-CB 3.43Å; A59-S63 PolarHBondContact O-N 2.91Å; A60-S63 PolarHBondContact O-N 3.08Å; M61-S63 VanDerWaalsContact C-N 3.31Å; M61-S63 PolarHBondContact O-N 3.5Å |
| 64 | R | 59.6 | Low | 60.2 | Low | 210 Ų | 210 | 107.4 Ų | 107.4 | 79% | 0.792 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -87.2 | -11.7 | 177.8 | -73.8 | -177 | -178.3 | -171.6 | 2.2 | 113.5 | A60 M61 V66 | A60-R64 VanDerWaalsContact O-CB 3.27Å; A60-R64 WeakPolarHBondContact O-CB 3.42Å; A60-R64 VanDerWaalsContact O-CG 3.27Å; A60-R64 WeakPolarHBondContact O-CG 3.41Å; A60-R64 PolarHBondContact O-N 3.19Å; M61-R64 PolarHBondContact O-N 3.4Å; R64-V66 PolarHBondContact O-N 3.48Å |
| 65 | M | 49.8 | Very low | 59 | Low | 141 Ų | 141 | 108.6 Ų | 108.6 | 70% | 0.695 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -58.5 | 91.2 | 155.3 | -103.2 | 177.4 | 155.1 | 0 | 0 | 105.7 | M61 | M61-M65 PolarHBondContact O-N 3.47Š|
| 66 | V | 52 | Low | 58 | Low | 112 Ų | 112 | 108.3 Ų | 108.3 | 68% | 0.679 | 61% | 0.605 | S | S | * | * | trans | -31.2 | 126 | 154.2 | 176.6 | 0 | 0 | 0 | 0 | 105.3 | R64 T68 | R64-V66 PolarHBondContact O-N 3.48Å; V66-T68 PolarHBondContact O-N 3.28Å; V66-T68 PolarHBondContact O-OG1 3.47Å | ||
| 67 | P | 52.1 | Low | 57.4 | Low | 84 Ų | 84 | 108.8 Ų | 108.8 | 55% | 0.545 | 61% | 0.607 | S | S | . | * | trans | -56.9 | 95.2 | 176.7 | 23.2 | -31.8 | 0 | 0 | 0 | 106.5 | V69 A71 | P67-V69 PolarHBondContact O-N 3.25Å; P67-A71 HydrophobicContact CB-CB 4.4Å | ||
| 68 | T | 53.6 | Low | 56.4 | Low | 94 Ų | 94 | 113.3 Ų | 113.3 | 58% | 0.577 | 62% | 0.62 | S | S | * | * | trans | -54.2 | 132.4 | 171.4 | -47.9 | 0 | 0 | 0 | 0 | 103.1 | V66 A70 A71 | V66-T68 PolarHBondContact O-N 3.28Å; V66-T68 PolarHBondContact O-OG1 3.47Å; T68-A70 CarbonylContact O-C 3.5Å; T68-A70 PolarHBondContact O-N 3.42Å; T68-A71 PolarHBondContact O-N 2.87Å | ||
| 69 | V | 54.3 | Low | 55.6 | Low | 101 Ų | 101 | 107.3 Ų | 107.3 | 61% | 0.612 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -44.4 | -28.7 | -170.2 | -177.4 | 0 | 0 | 0 | 0 | 113.1 | P67 A71 L72 E73 | P67-V69 PolarHBondContact O-N 3.25Å; V69-A71 VanDerWaalsContact C-N 3.33Å; V69-A71 PolarHBondContact O-N 3.41Å; V69-L72 WeakPolarHBondContact O-CB 3.38Å; V69-L72 PolarHBondContact O-N 3.35Å; V69-E73 PolarHBondContact O-N 3.19Å |
| 70 | A | 51.6 | Low | 55 | Low | 62 Ų | 62 | 111.2 Ų | 111.2 | 51% | 0.512 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -53.3 | -31.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | T68 E73 Q74 | T68-A70 CarbonylContact O-C 3.5Å; T68-A70 PolarHBondContact O-N 3.42Å; A70-E73 CarbonylContact O-C 3.56Å; A70-E73 WeakPolarHBondContact O-CB 3.45Å; A70-E73 PolarHBondContact O-N 2.77Å; A70-Q74 PolarHBondContact O-N 2.67Å |
| 71 | A | 52.2 | Low | 54.6 | Low | 46 Ų | 46 | 120 Ų | 120 | 38% | 0.38 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -73.8 | -30.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | P67 T68 V69 Q74 | P67-A71 HydrophobicContact CB-CB 4.4Å; T68-A71 PolarHBondContact O-N 2.87Å; V69-A71 VanDerWaalsContact C-N 3.33Å; V69-A71 PolarHBondContact O-N 3.41Å; A71-Q74 WeakPolarHBondContact O-CB 3.41Å; A71-Q74 WeakPolarHBondContact O-CG 3.43Å; A71-Q74 PolarHBondContact O-N 3.33Å |
| 72 | L | 52.7 | Low | 53.8 | Low | 139 Ų | 139 | 121.8 Ų | 121.8 | 73% | 0.728 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.9 | -20.6 | 169.1 | -67.7 | 165.6 | 0 | 0 | 0 | 111.6 | V69 Q74 | V69-L72 WeakPolarHBondContact O-CB 3.38Å; V69-L72 PolarHBondContact O-N 3.35Å; L72-Q74 VanDerWaalsContact C-N 3.34Å |
| 73 | E | 51.9 | Low | 53.3 | Low | 147 Ų | 147 | 122.1 Ų | 122.1 | 69% | 0.687 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 4.5 | 171.1 | -63.9 | -173.1 | 164 | 0 | 0 | 113.6 | V69 A70 P75 | V69-E73 PolarHBondContact O-N 3.19Å; A70-E73 CarbonylContact O-C 3.56Å; A70-E73 WeakPolarHBondContact O-CB 3.45Å; A70-E73 PolarHBondContact O-N 2.77Å; E73-P75 VanDerWaalsContact O-N 3.09Å |
| 74 | Q | 51.1 | Low | 53 | Low | 141 Ų | 141 | 128.7 Ų | 128.7 | 66% | 0.659 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -53 | 124.4 | 171.7 | -80.6 | -173.7 | 3.3 | 0 | 0 | 108.7 | A70 A71 L72 N76 | A70-Q74 PolarHBondContact O-N 2.67Å; A71-Q74 WeakPolarHBondContact O-CB 3.41Å; A71-Q74 WeakPolarHBondContact O-CG 3.43Å; A71-Q74 PolarHBondContact O-N 3.33Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; Q74-N76 PolarHBondContact O-N 3.07Å |
| 75 | P | 49.8 | Very low | 53.2 | Low | 123 Ų | 123 | 125.6 Ų | 125.6 | 80% | 0.799 | 66% | 0.656 | S | S | * | * | trans | -63.8 | 100.3 | -166.9 | 22.8 | -32.4 | 0 | 0 | 0 | 109.9 | E73 L77 | E73-P75 VanDerWaalsContact O-N 3.09Å; P75-L77 PolarHBondContact O-N 3.01Å | ||
| 76 | N | 53.7 | Low | 53.5 | Low | 110 Ų | 110 | 123.8 Ų | 123.8 | 59% | 0.588 | 65% | 0.654 | S | S | * | * | trans | 46 | 70.7 | 143.7 | -145.9 | 23.5 | 0 | 0 | 0 | 113.5 | Q74 W78 G79 | Q74-N76 PolarHBondContact O-N 3.07Å; N76-W78 PolarHBondContact O-N 3.5Å; N76-W78 WeakPolarHBondContact OD1-CB 3.42Å; N76-G79 PolarHBondContact O-N 3.44Å | ||
| 77 | L | 53.7 | Low | 53.9 | Low | 122 Ų | 122 | 124.5 Ų | 124.5 | 64% | 0.639 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -18.3 | 161.6 | -71.6 | 173.3 | 0 | 0 | 0 | 111.8 | P75 G79 L80 | P75-L77 PolarHBondContact O-N 3.01Å; L77-G79 PolarHBondContact O-N 3.3Å; L77-L80 HydrophobicContact CD2-CD1 3.88Å; L77-L80 PolarHBondContact O-N 3.49Å |
| 78 | W | 52.2 | Low | 54.4 | Low | 191 Ų | 191 | 127.1 Ų | 127.1 | 72% | 0.723 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -57.5 | -22.7 | 166.4 | -106.8 | -103.7 | 0 | 0 | 0 | 114.2 | N76 W81 K82 | N76-W78 PolarHBondContact O-N 3.5Å; N76-W78 WeakPolarHBondContact OD1-CB 3.42Å; W78-W81 PolarHBondContact O-N 3.3Å; W78-K82 PolarHBondContact O-N 3.02Å |
| 79 | G | 54.4 | Low | 54.6 | Low | 38 Ų | 38 | 127.8 Ų | 127.8 | 39% | 0.392 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -68.9 | -34.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N76 L77 W81 K82 | N76-G79 PolarHBondContact O-N 3.44Å; L77-G79 PolarHBondContact O-N 3.3Å; G79-W81 VanDerWaalsContact C-N 3.31Å; G79-W81 PolarHBondContact O-N 2.87Å; G79-K82 CarbonylContact O-C 3.56Å; G79-K82 PolarHBondContact O-N 2.87Å; G79-K82 VanDerWaalsContact O-N 3.15Å |
| 80 | L | 56.3 | Low | 55.1 | Low | 136 Ų | 136 | 130.6 Ų | 130.6 | 71% | 0.712 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -64 | -37.1 | 174.5 | -86.2 | 147.4 | 0 | 0 | 0 | 111.6 | L77 K82 A83 | L77-L80 HydrophobicContact CD2-CD1 3.88Å; L77-L80 PolarHBondContact O-N 3.49Å; L80-K82 VanDerWaalsContact C-N 3.3Å; L80-K82 PolarHBondContact O-N 3.36Å; L80-A83 PolarHBondContact O-N 2.88Å |
| 81 | W | 55.4 | Low | 55.7 | Low | 230 Ų | 230 | 132.8 Ų | 132.8 | 87% | 0.871 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -75.8 | -17.8 | 175.5 | -63.7 | 94.7 | 0 | 0 | 0 | 113.6 | W78 G79 A83 | W78-W81 PolarHBondContact O-N 3.3Å; G79-W81 VanDerWaalsContact C-N 3.31Å; G79-W81 PolarHBondContact O-N 2.87Å; W81-A83 VanDerWaalsContact C-N 3.29Å |
| 82 | K | 51.1 | Low | 55.9 | Low | 162 Ų | 162 | 134.3 Ų | 134.3 | 70% | 0.704 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 30.8 | 169.1 | -75.7 | -172.6 | 178 | -178.5 | 0 | 112 | W78 G79 L80 R84 | W78-K82 PolarHBondContact O-N 3.02Å; G79-K82 CarbonylContact O-C 3.56Å; G79-K82 PolarHBondContact O-N 2.87Å; G79-K82 VanDerWaalsContact O-N 3.15Å; L80-K82 VanDerWaalsContact C-N 3.3Å; L80-K82 PolarHBondContact O-N 3.36Å; K82-R84 PolarHBondContact O-N 2.82Å |
| 83 | A | 51.8 | Low | 56.4 | Low | 75 Ų | 75 | 131.4 Ų | 131.4 | 62% | 0.62 | 69% | 0.689 | S | S | * | * | trans | -48.6 | 111.4 | 164 | 0 | 0 | 0 | 0 | 0 | 107.8 | L80 W81 I85 | L80-A83 PolarHBondContact O-N 2.88Å; W81-A83 VanDerWaalsContact C-N 3.29Å; A83-I85 PolarHBondContact O-N 3.48Å | ||
| 84 | R | 54.8 | Low | 56.9 | Low | 238 Ų | 238 | 133.4 Ų | 133.4 | 90% | 0.898 | 70% | 0.698 | S | S | * | * | trans | -59.9 | 111.8 | -177.8 | -76 | -179.1 | 175.8 | 177.9 | -1.2 | 106.9 | K82 P86 | K82-R84 PolarHBondContact O-N 2.82Å; R84-P86 VanDerWaalsContact O-N 3.16Å | ||
| 85 | I | 62.2 | Low | 57.3 | Low | 146 Ų | 146 | 134.2 Ų | 134.2 | 75% | 0.749 | 70% | 0.704 | S | S | * | * | trans | -52.3 | 123 | 167.9 | -61.3 | 164.2 | 0 | 0 | 0 | 105.8 | A83 | A83-I85 PolarHBondContact O-N 3.48Š| ||
| 86 | P | 56 | Low | 57.6 | Low | 103 Ų | 103 | 131.7 Ų | 131.7 | 67% | 0.669 | 68% | 0.682 | S | S | * | * | trans | -57.9 | 136.3 | -179.6 | 22.5 | -31.5 | 0 | 0 | 0 | 108.6 | R84 I88 | R84-P86 VanDerWaalsContact O-N 3.16Å; P86-I88 PolarHBondContact O-N 3.48Å | ||
| 87 | P | 60.5 | Low | 57.7 | Low | 126 Ų | 126 | 130.6 Ų | 130.6 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | -61.3 | 115.7 | -177.6 | 24.6 | -32.2 | 0 | 0 | 0 | 108.9 | ||||
| 88 | I | 63.6 | Low | 58.2 | Low | 140 Ų | 140 | 132.9 Ų | 132.9 | 72% | 0.718 | 69% | 0.692 | S | S | * | * | trans | -60.8 | 127.3 | 171.1 | -60.3 | 170.3 | 0 | 0 | 0 | 106.4 | P86 I90 | P86-I88 PolarHBondContact O-N 3.48Å; I88-I90 PolarHBondContact O-N 3.22Å | ||
| 89 | P | 57.7 | Low | 58.5 | Low | 107 Ų | 107 | 131 Ų | 131 | 70% | 0.695 | 70% | 0.696 | S | S | * | * | trans | -60.4 | 116.1 | 177.7 | 22.5 | -30.7 | 0 | 0 | 0 | 109.3 | I91 | P89-I91 PolarHBondContact O-N 3.29Š| ||
| 90 | I | 64.5 | Low | 58.2 | Low | 161 Ų | 161 | 137.7 Ų | 137.7 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | trans | -75.3 | 92.1 | 174.5 | -57.6 | 170.3 | 0 | 0 | 0 | 106.3 | I88 P92 | I88-I90 PolarHBondContact O-N 3.22Å; I90-P92 WeakPolarHBondContact O-CD 3.44Å | ||
| 91 | I | 63.5 | Low | 58 | Low | 108 Ų | 108 | 136.5 Ų | 136.5 | 55% | 0.554 | 71% | 0.711 | S | S | * | * | trans | -71.1 | 121.8 | 168.1 | -58.6 | 172.8 | 0 | 0 | 0 | 106.5 | P89 A93 M95 M96 | P89-I91 PolarHBondContact O-N 3.29Å; I91-A93 PolarHBondContact O-N 2.97Å; I91-M95 HydrophobicContact CG2-CB 4.28Å; I91-M96 HydrophobicContact CG2-CG 4.28Å | ||
| 92 | P | 57.9 | Low | 57.8 | Low | 78 Ų | 78 | 130.7 Ų | 130.7 | 51% | 0.506 | 69% | 0.694 | S | S | . | * | trans | -57.2 | 134.7 | 175.9 | -22 | 33.2 | 0 | 0 | 0 | 110 | I90 E94 M95 | I90-P92 WeakPolarHBondContact O-CD 3.44Å; P92-E94 PolarHBondContact O-N 2.68Å; P92-M95 PolarHBondContact O-N 3.05Å | ||
| 93 | A | 62.2 | Low | 57.6 | Low | 77 Ų | 77 | 128.5 Ų | 128.5 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -54.4 | -28.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | I91 M95 M96 | I91-A93 PolarHBondContact O-N 2.97Å; A93-M95 VanDerWaalsContact C-N 3.3Å; A93-M95 PolarHBondContact O-N 3.33Å; A93-M96 HydrophobicContact CB-CE 4.5Å; A93-M96 WeakPolarHBondContact O-CB 3.49Å; A93-M96 PolarHBondContact O-N 3.01Å |
| 94 | E | 62.8 | Low | 57.8 | Low | 190 Ų | 190 | 132.3 Ų | 132.3 | 89% | 0.888 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -67.1 | -26 | 179.9 | -58.6 | 174.9 | -159.5 | 0 | 0 | 113.8 | P92 | P92-E94 PolarHBondContact O-N 2.68Š|
| 95 | M | 59.8 | Low | 57.5 | Low | 158 Ų | 158 | 124.8 Ų | 124.8 | 78% | 0.778 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -92.4 | -0.9 | 177 | -83.3 | -174.5 | 153.8 | 0 | 0 | 113.1 | I91 P92 A93 | I91-M95 HydrophobicContact CG2-CB 4.28Å; P92-M95 PolarHBondContact O-N 3.05Å; A93-M95 VanDerWaalsContact C-N 3.3Å; A93-M95 PolarHBondContact O-N 3.33Å |
| 96 | M | 56 | Low | 57 | Low | 70 Ų | 70 | 125 Ų | 125 | 35% | 0.345 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -76.3 | 125.4 | 178.5 | -64.8 | -155.6 | -55 | 0 | 0 | 109.9 | I91 A93 I98 Q102 | I91-M96 HydrophobicContact CG2-CG 4.28Å; A93-M96 HydrophobicContact CB-CE 4.5Å; A93-M96 WeakPolarHBondContact O-CB 3.49Å; A93-M96 PolarHBondContact O-N 3.01Å; M96-I98 PolarHBondContact O-N 3.19Å; M96-I98 VanDerWaalsContact O-N 3.14Å; M96-Q102 PolarHBondContact SD-NE2 3.47Å |
| 97 | P | 54.5 | Low | 56.6 | Low | 87 Ų | 87 | 129.1 Ų | 129.1 | 57% | 0.565 | 71% | 0.706 | S | S | * | * | trans | -60 | 123.6 | 175.2 | 23.5 | -30.9 | 0 | 0 | 0 | 109 | N99 Y100 | P97-N99 PolarHBondContact O-N 2.72Å; P97-Y100 HydrophobicContact CG-CD2 4.2Å; P97-Y100 PolarHBondContact O-N 3.45Å | ||
| 98 | I | 64.1 | Low | 56.3 | Low | 169 Ų | 169 | 129.5 Ų | 129.5 | 87% | 0.867 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -21.2 | -175.9 | -62.3 | 166.2 | 0 | 0 | 0 | 112.5 | M96 | M96-I98 PolarHBondContact O-N 3.19Å; M96-I98 VanDerWaalsContact O-N 3.14Å |
| 99 | N | 58.6 | Low | 55.6 | Low | 151 Ų | 151 | 128 Ų | 128 | 81% | 0.807 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 12 | -178.9 | -80.3 | -12.8 | 0 | 0 | 0 | 115.5 | P97 P101 | P97-N99 PolarHBondContact O-N 2.72Å; N99-P101 WeakPolarHBondContact O-CD 3.05Å |
| 100 | Y | 48.8 | Very low | 55.4 | Low | 180 Ų | 180 | 130.1 Ų | 130.1 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | trans | -85.3 | 108.4 | 162.8 | -113.2 | -90 | 0 | 0 | 0 | 109.2 | P97 Q102 | P97-Y100 HydrophobicContact CG-CD2 4.2Å; P97-Y100 PolarHBondContact O-N 3.45Å; Y100-Q102 PolarHBondContact O-N 3.33Å | ||
| 101 | P | 51.8 | Low | 55 | Low | 111 Ų | 111 | 126.9 Ų | 126.9 | 72% | 0.721 | 70% | 0.695 | S | S | * | * | trans | -63.3 | 91.9 | 155.3 | 28.4 | -30.9 | 0 | 0 | 0 | 105.1 | N99 P103 | N99-P101 WeakPolarHBondContact O-CD 3.05Å; P101-P103 VanDerWaalsContact O-CD 3.26Å; P101-P103 WeakPolarHBondContact O-CD 3.4Å | ||
| 102 | Q | 52.3 | Low | 54.8 | Low | 108 Ų | 108 | 127.4 Ų | 127.4 | 51% | 0.505 | 71% | 0.705 | S | S | . | * | trans | -50.3 | 121.3 | 154.7 | -75.7 | -179 | -21.7 | 0 | 0 | 103.8 | M96 Y100 L104 | M96-Q102 PolarHBondContact SD-NE2 3.47Å; Y100-Q102 PolarHBondContact O-N 3.33Å; Q102-L104 PolarHBondContact O-N 3.19Å | ||
| 103 | P | 47 | Very low | 54.5 | Low | 115 Ų | 115 | 126.4 Ų | 126.4 | 75% | 0.747 | 71% | 0.709 | S | S | * | * | trans | -55 | 109.4 | 155 | 24.6 | -27 | 0 | 0 | 0 | 101.4 | P101 A105 | P101-P103 VanDerWaalsContact O-CD 3.26Å; P101-P103 WeakPolarHBondContact O-CD 3.4Å; P103-A105 PolarHBondContact O-N 2.91Å | ||
| 104 | L | 54.8 | Low | 53.9 | Low | 156 Ų | 156 | 131.2 Ų | 131.2 | 82% | 0.817 | 72% | 0.718 | S | S | * | * | trans | -50.7 | 95.5 | 163.6 | -75.8 | 164.3 | 0 | 0 | 0 | 101.1 | Q102 L106 | Q102-L104 PolarHBondContact O-N 3.19Å; L104-L106 WeakPolarHBondContact O-CA 3.33Å; L104-L106 PolarHBondContact O-N 2.96Å | ||
| 105 | A | 48.2 | Very low | 53.6 | Low | 79 Ų | 79 | 131.1 Ų | 131.1 | 65% | 0.653 | 72% | 0.715 | S | S | * | * | trans | -51.7 | 108.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 100.2 | P103 Q107 | P103-A105 PolarHBondContact O-N 2.91Å; A105-Q107 PolarHBondContact O-N 3.28Å | ||
| 106 | L | 51.3 | Low | 53.5 | Low | 151 Ų | 151 | 134.9 Ų | 134.9 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | trans | -37.5 | 106.4 | -174.2 | -88.2 | 139.1 | 0 | 0 | 0 | 103.2 | L104 L108 | L104-L106 WeakPolarHBondContact O-CA 3.33Å; L104-L106 PolarHBondContact O-N 2.96Å; L106-L108 HydrophobicContact CB-CG 4.41Å; L106-L108 PolarHBondContact O-N 3.48Å | ||
| 107 | Q | 48.7 | Very low | 53.7 | Low | 189 Ų | 189 | 136 Ų | 136 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | -70.7 | 77.1 | 170.5 | -84.4 | -179.8 | -14.8 | 0 | 0 | 100.7 | A105 P109 | A105-Q107 PolarHBondContact O-N 3.28Å; Q107-P109 WeakPolarHBondContact O-CD 3.36Å | ||
| 108 | L | 53.3 | Low | 54 | Low | 134 Ų | 134 | 136.4 Ų | 136.4 | 70% | 0.702 | 75% | 0.745 | S | S | * | * | trans | -44.6 | 116.2 | 160.9 | -72.3 | 170.3 | 0 | 0 | 0 | 101.2 | L106 N110 | L106-L108 HydrophobicContact CB-CG 4.41Å; L106-L108 PolarHBondContact O-N 3.48Å; L108-N110 PolarHBondContact O-N 2.99Å | ||
| 109 | P | 49.6 | Very low | 54 | Low | 110 Ų | 110 | 138.2 Ų | 138.2 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | trans | -48 | 119.8 | -176 | 17.2 | -29.9 | 0 | 0 | 0 | 105.5 | Q107 P111 | Q107-P109 WeakPolarHBondContact O-CD 3.36Å; P109-P111 WeakPolarHBondContact O-CD 3.45Å | ||
| 110 | N | 52.9 | Low | 54.6 | Low | 151 Ų | 151 | 138 Ų | 138 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | trans | -42.7 | 117.1 | 175.7 | -95.9 | -29.8 | 0 | 0 | 0 | 105.3 | L108 | L108-N110 PolarHBondContact O-N 2.99Š| ||
| 111 | P | 57.2 | Low | 56.1 | Low | 92 Ų | 92 | 135 Ų | 135 | 60% | 0.597 | 75% | 0.748 | S | S | * | * | trans | -51.5 | 124.7 | -171 | 16.7 | -29.7 | 0 | 0 | 0 | 106.5 | P109 G113 | P109-P111 WeakPolarHBondContact O-CD 3.45Å; P111-G113 CarbonylContact O-C 3.4Å; P111-G113 PolarHBondContact O-N 2.98Å | ||
| 112 | P | 58.2 | Low | 57.6 | Low | 120 Ų | 120 | 137.9 Ų | 137.9 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -57.2 | 99.2 | -158.9 | 19.1 | -33 | 0 | 0 | 0 | 109.9 | ||
| 113 | G | 51.8 | Low | 59.1 | Low | 56 Ų | 56 | 135.7 Ų | 135.7 | 58% | 0.577 | 75% | 0.749 | S | S | * | * | trans | 56.3 | 123.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P111 K115 | P111-G113 CarbonylContact O-C 3.4Å; P111-G113 PolarHBondContact O-N 2.98Å; G113-K115 PolarHBondContact O-N 3.34Å | ||
| 114 | H | 49.4 | Very low | 61.2 | Low | 178 Ų | 178 | 133.6 Ų | 133.6 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | trans | -55.5 | 88.7 | 131.4 | -85.6 | 34.8 | 0 | 0 | 0 | 106.1 | R116 | H114-R116 VanDerWaalsContact C-N 3.26Å; H114-R116 PolarHBondContact O-N 3.48Å | ||
| 115 | K | 56.4 | Low | 62.9 | Low | 189 Ų | 189 | 130 Ų | 130 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | -47.4 | 108.1 | 160.9 | -71.2 | -176.8 | -179.5 | -178.9 | 0 | 101.9 | G113 A117 | G113-K115 PolarHBondContact O-N 3.34Å; K115-A117 PolarHBondContact O-N 2.91Å | ||
| 116 | R | 58.2 | Low | 64.9 | Low | 237 Ų | 237 | 132 Ų | 132 | 89% | 0.894 | 73% | 0.725 | S | S | * | * | trans | -35.7 | 115.1 | 179.4 | -74 | 175 | 179.3 | 160.2 | -0.2 | 105 | H114 S118 | H114-R116 VanDerWaalsContact C-N 3.26Å; H114-R116 PolarHBondContact O-N 3.48Å; R116-S118 WeakPolarHBondContact O-CA 3.39Å; R116-S118 PolarHBondContact O-N 2.74Å | ||
| 117 | A | 60.4 | Low | 66.8 | Low | 92 Ų | 92 | 128.3 Ų | 128.3 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | trans | -36.3 | 110.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | K115 K119 | K115-A117 PolarHBondContact O-N 2.91Å; A117-K119 PolarHBondContact O-N 2.9Å | ||
| 118 | S | 60 | Low | 69 | Low | 96 Ų | 96 | 125.4 Ų | 125.4 | 67% | 0.671 | 69% | 0.688 | S | S | * | * | trans | -48.8 | 117.1 | -175.7 | 49.6 | 0 | 0 | 0 | 0 | 103.8 | R116 L120 | R116-S118 WeakPolarHBondContact O-CA 3.39Å; R116-S118 PolarHBondContact O-N 2.74Å; S118-L120 PolarHBondContact O-N 3.4Å | ||
| 119 | K | 64.5 | Low | 70.9 | Confident | 208 Ų | 208 | 123.5 Ų | 123.5 | 90% | 0.904 | 68% | 0.681 | S | S | * | * | trans | -56 | 96 | -176.2 | -69.1 | 178.3 | -179.2 | -177.9 | 0 | 105 | A117 | A117-K119 PolarHBondContact O-N 2.9Š| ||
| 120 | L | 72.2 | Confident | 73.1 | Confident | 146 Ų | 146 | 124 Ų | 124 | 76% | 0.764 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 132.9 | 171.9 | -74.2 | 167.8 | 0 | 0 | 0 | 103.6 | S118 M122 | S118-L120 PolarHBondContact O-N 3.4Å; L120-M122 PolarHBondContact O-N 2.83Å; L120-M122 VanDerWaalsContact O-N 3.14Å |
| 121 | P | 80.6 | Confident | 75.1 | Confident | 118 Ų | 118 | 120.9 Ų | 120.9 | 77% | 0.766 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 129.6 | 176.8 | 22.5 | -31.7 | 0 | 0 | 0 | 107.4 | ||
| 122 | M | 81.7 | Confident | 76.9 | Confident | 170 Ų | 170 | 121.1 Ų | 121.1 | 84% | 0.837 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 128.2 | 178.1 | -173 | 163.3 | 165.3 | 0 | 0 | 107.1 | L120 T124 | L120-M122 PolarHBondContact O-N 2.83Å; L120-M122 VanDerWaalsContact O-N 3.14Å; M122-T124 PolarHBondContact O-N 3.24Å |
| 123 | P | 85.5 | Confident | 78.7 | Confident | 63 Ų | 63 | 119.8 Ų | 119.8 | 41% | 0.409 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 130.2 | -178 | 20.6 | -32.1 | 0 | 0 | 0 | 109.8 | D127 Y128 | P123-D127 HydrophobicContact CB-CB 4.18Å; P123-Y128 HydrophobicContact CB-CE2 3.97Å; P123-Y128 HydrophobicContact CG-CE2 4.06Å; P123-Y128 WeakPolarHBondContact CG-OH 3.07Å |
| 124 | T | 89.8 | Confident | 80.8 | Confident | 71 Ų | 71 | 123.6 Ų | 123.6 | 44% | 0.436 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -79.5 | 164.4 | 178.8 | 65 | 0 | 0 | 0 | 0 | 110.6 | M122 I126 D127 Y128 | M122-T124 PolarHBondContact O-N 3.24Å; T124-I126 PolarHBondContact O-N 3.2Å; T124-I126 VanDerWaalsContact O-N 3.17Å; T124-I126 PolarHBondContact OG1-N 3.47Å; T124-D127 WeakPolarHBondContact CB-OD2 3.34Å; T124-D127 PolarHBondContact N-OD2 2.85Å; T124-D127 WeakPolarHBondContact O-CB 3.39Å; T124-D127 PolarHBondContact O-N 3.46Å; T124-D127 VanDerWaalsContact OG1-CG 3.27Å; T124-D127 PolarHBondContact OG1-N 3.44Å; T124-D127 PolarHBondContact OG1-OD2 3.43Å; T124-Y128 WeakPolarHBondContact O-CD2 3.47Å; T124-Y128 PolarHBondContact O-N 2.88Å |
| 125 | A | 90 | Very high | 83 | Confident | 79 Ų | 79 | 118.8 Ų | 118.8 | 65% | 0.653 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -55.6 | -31.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y128 V129 | A125-Y128 PolarHBondContact O-N 3.48Å; A125-V129 WeakPolarHBondContact O-CG2 3.48Å; A125-V129 PolarHBondContact O-N 3.23Å |
| 126 | I | 91.5 | Very high | 84.9 | Confident | 123 Ų | 123 | 113.2 Ų | 113.2 | 63% | 0.631 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.9 | -40.9 | 176.8 | -61.8 | 166.8 | 0 | 0 | 0 | 110.7 | T124 Y128 V129 M130 | T124-I126 PolarHBondContact O-N 3.2Å; T124-I126 VanDerWaalsContact O-N 3.17Å; T124-I126 PolarHBondContact OG1-N 3.47Å; I126-Y128 VanDerWaalsContact C-N 3.31Å; I126-Y128 PolarHBondContact O-N 2.9Å; I126-V129 PolarHBondContact O-N 2.91Å; I126-M130 WeakPolarHBondContact O-CB 3.36Å; I126-M130 PolarHBondContact O-N 3.39Å |
| 127 | D | 91.9 | Very high | 86.7 | Confident | 73 Ų | 73 | 104.5 Ų | 104.5 | 39% | 0.39 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.7 | -40.8 | 177.1 | -59.3 | -46.3 | 0 | 0 | 0 | 111.2 | P123 T124 M130 L131 | P123-D127 HydrophobicContact CB-CB 4.18Å; T124-D127 WeakPolarHBondContact CB-OD2 3.34Å; T124-D127 PolarHBondContact N-OD2 2.85Å; T124-D127 WeakPolarHBondContact O-CB 3.39Å; T124-D127 PolarHBondContact O-N 3.46Å; T124-D127 VanDerWaalsContact OG1-CG 3.27Å; T124-D127 PolarHBondContact OG1-N 3.44Å; T124-D127 PolarHBondContact OG1-OD2 3.43Å; D127-M130 PolarHBondContact O-N 3.01Å; D127-L131 VanDerWaalsContact O-CB 3.26Å; D127-L131 WeakPolarHBondContact O-CB 3.4Å; D127-L131 PolarHBondContact O-N 2.81Å |
| 128 | Y | 93.6 | Very high | 88.4 | Confident | 128 Ų | 128 | 104 Ų | 104 | 50% | 0.502 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67 | -40.1 | 175.1 | -70.8 | -71.4 | 0 | 0 | 0 | 112.9 | P123 T124 A125 I126 L131 N132 | P123-Y128 HydrophobicContact CB-CE2 3.97Å; P123-Y128 HydrophobicContact CG-CE2 4.06Å; P123-Y128 WeakPolarHBondContact CG-OH 3.07Å; T124-Y128 WeakPolarHBondContact O-CD2 3.47Å; T124-Y128 PolarHBondContact O-N 2.88Å; A125-Y128 PolarHBondContact O-N 3.48Å; I126-Y128 VanDerWaalsContact C-N 3.31Å; I126-Y128 PolarHBondContact O-N 2.9Å; Y128-L131 PolarHBondContact O-N 3.34Å; Y128-N132 WeakPolarHBondContact O-CB 3.4Å; Y128-N132 PolarHBondContact O-N 2.91Å; Y128-N132 PolarHBondContact O-ND2 3.03Å |
| 129 | V | 94.1 | Very high | 90.1 | Very high | 93 Ų | 93 | 104.4 Ų | 104.4 | 56% | 0.564 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.7 | -45.9 | 175.7 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | A125 I126 L131 N132 V133 | A125-V129 WeakPolarHBondContact O-CG2 3.48Å; A125-V129 PolarHBondContact O-N 3.23Å; I126-V129 PolarHBondContact O-N 2.91Å; V129-L131 VanDerWaalsContact C-N 3.33Å; V129-L131 PolarHBondContact O-N 3.5Å; V129-N132 PolarHBondContact O-N 3.08Å; V129-V133 WeakPolarHBondContact O-CG2 3.41Å; V129-V133 PolarHBondContact O-N 3.33Å |
| 130 | M | 95.4 | Very high | 91.6 | Very high | 120 Ų | 120 | 100.7 Ų | 100.7 | 59% | 0.591 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 177.7 | -168.7 | -170.9 | -42.2 | 0 | 0 | 111.5 | I126 D127 N132 V133 Y134 | I126-M130 WeakPolarHBondContact O-CB 3.36Å; I126-M130 PolarHBondContact O-N 3.39Å; D127-M130 PolarHBondContact O-N 3.01Å; M130-N132 VanDerWaalsContact C-N 3.33Å; M130-N132 PolarHBondContact O-N 2.74Å; M130-V133 PolarHBondContact O-N 3.48Å; M130-Y134 WeakPolarHBondContact O-CB 3.28Å; M130-Y134 PolarHBondContact O-N 3.27Å |
| 131 | L | 95.5 | Very high | 92.7 | Very high | 87 Ų | 87 | 97.2 Ų | 97.2 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -43 | 175.3 | -175.2 | 67.5 | 0 | 0 | 0 | 111.4 | D127 Y128 V129 Y134 I135 | D127-L131 VanDerWaalsContact O-CB 3.26Å; D127-L131 WeakPolarHBondContact O-CB 3.4Å; D127-L131 PolarHBondContact O-N 2.81Å; Y128-L131 PolarHBondContact O-N 3.34Å; V129-L131 VanDerWaalsContact C-N 3.33Å; V129-L131 PolarHBondContact O-N 3.5Å; L131-Y134 PolarHBondContact O-N 3.26Å; L131-I135 HydrophobicContact CD1-CD1 4.22Å; L131-I135 HydrophobicContact CD2-CD1 4.4Å; L131-I135 HydrophobicContact CG-CD1 3.82Å; L131-I135 HydrophobicContact CG-CG1 4.46Å; L131-I135 WeakPolarHBondContact O-CB 3.44Å; L131-I135 VanDerWaalsContact O-CG1 3.25Å; L131-I135 WeakPolarHBondContact O-CG1 3.25Å; L131-I135 PolarHBondContact O-N 2.93Å |
| 132 | N | 94.4 | Very high | 93.4 | Very high | 96 Ų | 96 | 96 Ų | 96 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 177.2 | -74.7 | -17.6 | 0 | 0 | 0 | 112.2 | Y128 V129 M130 Y134 I135 T136 | Y128-N132 WeakPolarHBondContact O-CB 3.4Å; Y128-N132 PolarHBondContact O-N 2.91Å; Y128-N132 PolarHBondContact O-ND2 3.03Å; V129-N132 PolarHBondContact O-N 3.08Å; M130-N132 VanDerWaalsContact C-N 3.33Å; M130-N132 PolarHBondContact O-N 2.74Å; N132-Y134 VanDerWaalsContact C-N 3.31Å; N132-Y134 PolarHBondContact O-N 2.85Å; N132-I135 PolarHBondContact O-N 2.77Å; N132-T136 WeakPolarHBondContact O-CB 3.47Å; N132-T136 VanDerWaalsContact O-CG2 3.31Å; N132-T136 WeakPolarHBondContact O-CG2 3.31Å; N132-T136 PolarHBondContact O-N 2.72Å; N132-T136 PolarHBondContact O-OG1 2.87Å |
| 133 | V | 95.1 | Very high | 94 | Very high | 92 Ų | 92 | 93.9 Ų | 93.9 | 56% | 0.558 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.2 | -42.4 | 174.1 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | V129 M130 T136 S137 | V129-V133 WeakPolarHBondContact O-CG2 3.41Å; V129-V133 PolarHBondContact O-N 3.33Å; M130-V133 PolarHBondContact O-N 3.48Å; V133-T136 WeakPolarHBondContact CA-OG1 3.37Å; V133-T136 PolarHBondContact O-OG1 3.17Å; V133-S137 WeakPolarHBondContact O-CB 3.35Å; V133-S137 PolarHBondContact O-N 3.38Å; V133-S137 PolarHBondContact O-OG 3.47Å |
| 134 | Y | 96.6 | Very high | 94.4 | Very high | 137 Ų | 137 | 95.8 Ų | 95.8 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -49.5 | 176.4 | 177.6 | -101 | 0 | 0 | 0 | 112.1 | M130 L131 N132 T136 S137 K138 | M130-Y134 WeakPolarHBondContact O-CB 3.28Å; M130-Y134 PolarHBondContact O-N 3.27Å; L131-Y134 PolarHBondContact O-N 3.26Å; N132-Y134 VanDerWaalsContact C-N 3.31Å; N132-Y134 PolarHBondContact O-N 2.85Å; Y134-T136 PolarHBondContact O-N 3.01Å; Y134-S137 PolarHBondContact O-N 3.32Å; Y134-S137 PolarHBondContact O-OG 3.32Å; Y134-K138 HydrophobicContact CE1-CG 4.12Å; Y134-K138 HydrophobicContact CE2-CG 4.17Å; Y134-K138 WeakPolarHBondContact O-CG 3.28Å; Y134-K138 PolarHBondContact O-N 2.88Å |
| 135 | I | 96.4 | Very high | 94.6 | Very high | 76 Ų | 76 | 98.7 Ų | 98.7 | 39% | 0.39 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -47 | 179.5 | -69.5 | 167.2 | 0 | 0 | 0 | 110.7 | L131 N132 S137 K138 L139 | L131-I135 HydrophobicContact CD1-CD1 4.22Å; L131-I135 HydrophobicContact CD2-CD1 4.4Å; L131-I135 HydrophobicContact CG-CD1 3.82Å; L131-I135 HydrophobicContact CG-CG1 4.46Å; L131-I135 WeakPolarHBondContact O-CB 3.44Å; L131-I135 VanDerWaalsContact O-CG1 3.25Å; L131-I135 WeakPolarHBondContact O-CG1 3.25Å; L131-I135 PolarHBondContact O-N 2.93Å; N132-I135 PolarHBondContact O-N 2.77Å; I135-S137 PolarHBondContact O-N 3.36Å; I135-K138 PolarHBondContact O-N 3.46Å; I135-L139 HydrophobicContact CG2-CD1 4.06Å; I135-L139 HydrophobicContact CG2-CG 4.44Å; I135-L139 WeakPolarHBondContact O-CG 3.43Å; I135-L139 PolarHBondContact O-N 3.42Å |
| 136 | T | 95 | Very high | 94.8 | Very high | 73 Ų | 73 | 99.2 Ų | 99.2 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 179 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | N132 V133 Y134 K138 L139 E140 | N132-T136 WeakPolarHBondContact O-CB 3.47Å; N132-T136 VanDerWaalsContact O-CG2 3.31Å; N132-T136 WeakPolarHBondContact O-CG2 3.31Å; N132-T136 PolarHBondContact O-N 2.72Å; N132-T136 PolarHBondContact O-OG1 2.87Å; V133-T136 WeakPolarHBondContact CA-OG1 3.37Å; V133-T136 PolarHBondContact O-OG1 3.17Å; Y134-T136 PolarHBondContact O-N 3.01Å; T136-K138 VanDerWaalsContact C-N 3.3Å; T136-K138 PolarHBondContact O-N 2.82Å; T136-L139 PolarHBondContact O-N 2.98Å; T136-E140 PolarHBondContact O-N 3.25Å |
| 137 | S | 95.9 | Very high | 94.9 | Very high | 53 Ų | 53 | 97.5 Ų | 97.5 | 37% | 0.371 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 174.8 | 76.9 | 0 | 0 | 0 | 0 | 113.1 | V133 Y134 I135 E141 | V133-S137 WeakPolarHBondContact O-CB 3.35Å; V133-S137 PolarHBondContact O-N 3.38Å; V133-S137 PolarHBondContact O-OG 3.47Å; Y134-S137 PolarHBondContact O-N 3.32Å; Y134-S137 PolarHBondContact O-OG 3.32Å; I135-S137 PolarHBondContact O-N 3.36Å; S137-E141 PolarHBondContact O-N 2.81Å |
| 138 | K | 97.2 | Very high | 94.9 | Very high | 81 Ų | 81 | 101.8 Ų | 101.8 | 35% | 0.352 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.7 | -35.1 | 177.8 | -73.5 | -72.2 | 159.8 | -159.4 | 0 | 112.3 | Y134 I135 T136 E141 L142 | Y134-K138 HydrophobicContact CE1-CG 4.12Å; Y134-K138 HydrophobicContact CE2-CG 4.17Å; Y134-K138 WeakPolarHBondContact O-CG 3.28Å; Y134-K138 PolarHBondContact O-N 2.88Å; I135-K138 PolarHBondContact O-N 3.46Å; T136-K138 VanDerWaalsContact C-N 3.3Å; T136-K138 PolarHBondContact O-N 2.82Å; K138-E141 IonicContact NZ-OE2 3.33Å; K138-E141 PolarHBondContact NZ-OE2 3.14Å; K138-E141 PolarHBondContact O-N 3.47Å; K138-L142 WeakPolarHBondContact O-CB 3.39Å; K138-L142 WeakPolarHBondContact O-CG 3.43Å; K138-L142 PolarHBondContact O-N 3.06Å |
| 139 | L | 95.9 | Very high | 94.8 | Very high | 105 Ų | 105 | 101 Ų | 101 | 55% | 0.55 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 174.4 | -72 | 173.2 | 0 | 0 | 0 | 111.6 | I135 T136 E141 L142 Q143 | I135-L139 HydrophobicContact CG2-CD1 4.06Å; I135-L139 HydrophobicContact CG2-CG 4.44Å; I135-L139 WeakPolarHBondContact O-CG 3.43Å; I135-L139 PolarHBondContact O-N 3.42Å; T136-L139 PolarHBondContact O-N 2.98Å; L139-E141 PolarHBondContact O-N 2.59Å; L139-L142 PolarHBondContact O-N 2.74Å; L139-Q143 WeakPolarHBondContact O-CB 3.27Å; L139-Q143 PolarHBondContact O-N 2.72Å |
| 140 | E | 95 | Very high | 94.7 | Very high | 131 Ų | 131 | 101.6 Ų | 101.6 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.3 | -43.8 | 174.7 | -71.2 | 177.6 | 177 | 0 | 0 | 111.7 | T136 L142 Q143 M144 | T136-E140 PolarHBondContact O-N 3.25Å; E140-L142 VanDerWaalsContact C-N 3.35Å; E140-L142 PolarHBondContact O-N 3.28Å; E140-Q143 PolarHBondContact O-N 3.26Å; E140-M144 WeakPolarHBondContact O-CG 3.21Å; E140-M144 PolarHBondContact O-N 2.85Å |
| 141 | E | 94.9 | Very high | 94.4 | Very high | 72 Ų | 72 | 99.3 Ų | 99.3 | 34% | 0.336 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | 175.9 | -170.2 | -171.7 | 165 | 0 | 0 | 111.5 | S137 K138 L139 M144 R145 | S137-E141 PolarHBondContact O-N 2.81Å; K138-E141 IonicContact NZ-OE2 3.33Å; K138-E141 PolarHBondContact NZ-OE2 3.14Å; K138-E141 PolarHBondContact O-N 3.47Å; L139-E141 PolarHBondContact O-N 2.59Å; E141-M144 PolarHBondContact O-N 2.79Å; E141-R145 WeakPolarHBondContact O-CG 3.27Å; E141-R145 PolarHBondContact O-N 3.22Å; E141-R145 IonicContact OE1-CZ 2.77Å; E141-R145 IonicContact OE1-NE 2.67Å; E141-R145 PolarHBondContact OE1-NE 3.03Å; E141-R145 IonicContact OE1-NH2 3.32Å; E141-R145 PolarHBondContact OE1-NH2 3.19Å |
| 142 | L | 96.1 | Very high | 94.1 | Very high | 94 Ų | 94 | 102 Ų | 102 | 49% | 0.492 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 177.8 | -75.7 | 172.1 | 0 | 0 | 0 | 112 | K138 L139 E140 M144 R145 I146 | K138-L142 WeakPolarHBondContact O-CB 3.39Å; K138-L142 WeakPolarHBondContact O-CG 3.43Å; K138-L142 PolarHBondContact O-N 3.06Å; L139-L142 PolarHBondContact O-N 2.74Å; E140-L142 VanDerWaalsContact C-N 3.35Å; E140-L142 PolarHBondContact O-N 3.28Å; L142-M144 VanDerWaalsContact C-N 3.33Å; L142-M144 PolarHBondContact O-N 3.19Å; L142-R145 WeakPolarHBondContact O-CB 3.42Å; L142-R145 PolarHBondContact O-N 3.24Å; L142-R145 VanDerWaalsContact O-N 3.14Å; L142-I146 WeakPolarHBondContact O-CG1 3.5Å; L142-I146 PolarHBondContact O-N 3.23Å |
| 143 | Q | 94.6 | Very high | 93.7 | Very high | 125 Ų | 125 | 101.9 Ų | 101.9 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.5 | -42.3 | 177.4 | -172.7 | 175.9 | 0.3 | 0 | 0 | 111.4 | L139 E140 R145 I146 L147 | L139-Q143 WeakPolarHBondContact O-CB 3.27Å; L139-Q143 PolarHBondContact O-N 2.72Å; E140-Q143 PolarHBondContact O-N 3.26Å; Q143-R145 VanDerWaalsContact C-N 3.32Å; Q143-R145 PolarHBondContact O-N 3.32Å; Q143-I146 PolarHBondContact O-N 2.63Å; Q143-L147 WeakPolarHBondContact O-CG 3.26Å; Q143-L147 PolarHBondContact O-N 3.32Å |
| 144 | M | 93.3 | Very high | 93.1 | Very high | 102 Ų | 102 | 103.5 Ų | 103.5 | 50% | 0.502 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -34.1 | 174.8 | -70.4 | -57.3 | -59.8 | 0 | 0 | 112.9 | E140 E141 L142 L147 R148 | E140-M144 WeakPolarHBondContact O-CG 3.21Å; E140-M144 PolarHBondContact O-N 2.85Å; E141-M144 PolarHBondContact O-N 2.79Å; L142-M144 VanDerWaalsContact C-N 3.33Å; L142-M144 PolarHBondContact O-N 3.19Å; M144-L147 HydrophobicContact SD-CD1 4.13Å; M144-R148 VanDerWaalsContact O-CG 3.28Å; M144-R148 WeakPolarHBondContact O-CG 3.37Å; M144-R148 PolarHBondContact O-N 2.8Å |
| 145 | R | 93.8 | Very high | 92.3 | Very high | 132 Ų | 132 | 102.8 Ų | 102.8 | 50% | 0.498 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.7 | -43 | 174.2 | -72.8 | 171.9 | -179 | -143 | 2.4 | 111.4 | E141 L142 Q143 R148 I149 | E141-R145 WeakPolarHBondContact O-CG 3.27Å; E141-R145 PolarHBondContact O-N 3.22Å; E141-R145 IonicContact OE1-CZ 2.77Å; E141-R145 IonicContact OE1-NE 2.67Å; E141-R145 PolarHBondContact OE1-NE 3.03Å; E141-R145 IonicContact OE1-NH2 3.32Å; E141-R145 PolarHBondContact OE1-NH2 3.19Å; L142-R145 WeakPolarHBondContact O-CB 3.42Å; L142-R145 PolarHBondContact O-N 3.24Å; L142-R145 VanDerWaalsContact O-N 3.14Å; Q143-R145 VanDerWaalsContact C-N 3.32Å; Q143-R145 PolarHBondContact O-N 3.32Å; R145-R148 WeakPolarHBondContact O-CB 3.37Å; R145-R148 PolarHBondContact O-N 2.81Å; R145-I149 VanDerWaalsContact O-CG1 3.31Å; R145-I149 WeakPolarHBondContact O-CG1 3.49Å; R145-I149 PolarHBondContact O-N 2.88Å |
| 146 | I | 94.9 | Very high | 91.4 | Very high | 91 Ų | 91 | 105.9 Ų | 105.9 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -49.1 | 176.4 | -70.2 | 163.6 | 0 | 0 | 0 | 110.1 | L142 Q143 R148 I149 E150 | L142-I146 WeakPolarHBondContact O-CG1 3.5Å; L142-I146 PolarHBondContact O-N 3.23Å; Q143-I146 PolarHBondContact O-N 2.63Å; I146-R148 PolarHBondContact O-N 2.76Å; I146-I149 CarbonylContact O-C 3.52Å; I146-I149 WeakPolarHBondContact O-CA 3.34Å; I146-I149 WeakPolarHBondContact O-CB 3.3Å; I146-I149 PolarHBondContact O-N 2.66Å; I146-E150 HydrophobicContact CG2-CG 4.2Å; I146-E150 WeakPolarHBondContact O-CG 3.38Å; I146-E150 PolarHBondContact O-N 2.74Å |
| 147 | L | 93.7 | Very high | 90.3 | Very high | 87 Ų | 87 | 109.1 Ų | 109.1 | 46% | 0.455 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -56.7 | -37.8 | 176.7 | -72.9 | 171.1 | 0 | 0 | 0 | 112.8 | Q143 M144 D151 | Q143-L147 WeakPolarHBondContact O-CG 3.26Å; Q143-L147 PolarHBondContact O-N 3.32Å; M144-L147 HydrophobicContact SD-CD1 4.13Å; L147-D151 WeakPolarHBondContact O-CB 3.48Å; L147-D151 PolarHBondContact O-N 3.26Å |
| 148 | R | 91.4 | Very high | 88.7 | Confident | 163 Ų | 163 | 112.7 Ų | 112.7 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.9 | -33.1 | 174.5 | -71.8 | 172.4 | -172.8 | -177.7 | 3.5 | 112.8 | M144 R145 I146 K152 | M144-R148 VanDerWaalsContact O-CG 3.28Å; M144-R148 WeakPolarHBondContact O-CG 3.37Å; M144-R148 PolarHBondContact O-N 2.8Å; R145-R148 WeakPolarHBondContact O-CB 3.37Å; R145-R148 PolarHBondContact O-N 2.81Å; I146-R148 PolarHBondContact O-N 2.76Å; R148-K152 WeakPolarHBondContact O-CB 3.39Å; R148-K152 VanDerWaalsContact O-CG 3.27Å; R148-K152 WeakPolarHBondContact O-CG 3.39Å; R148-K152 PolarHBondContact O-N 3.5Å |
| 149 | I | 92.2 | Very high | 86.8 | Confident | 111 Ų | 111 | 112.8 Ų | 112.8 | 57% | 0.569 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.5 | -43.2 | 176.4 | -68 | 164.5 | 0 | 0 | 0 | 109.5 | R145 I146 K152 L153 | R145-I149 VanDerWaalsContact O-CG1 3.31Å; R145-I149 WeakPolarHBondContact O-CG1 3.49Å; R145-I149 PolarHBondContact O-N 2.88Å; I146-I149 CarbonylContact O-C 3.52Å; I146-I149 WeakPolarHBondContact O-CA 3.34Å; I146-I149 WeakPolarHBondContact O-CB 3.3Å; I146-I149 PolarHBondContact O-N 2.66Å; I149-K152 PolarHBondContact O-N 3.15Å; I149-L153 WeakPolarHBondContact O-CB 3.44Å; I149-L153 PolarHBondContact O-N 3.47Å |
| 150 | E | 91.2 | Very high | 85 | Confident | 106 Ų | 106 | 111.3 Ų | 111.3 | 50% | 0.495 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 176 | -70.4 | 175.5 | 168.6 | 0 | 0 | 111.4 | I146 K152 L153 E154 | I146-E150 HydrophobicContact CG2-CG 4.2Å; I146-E150 WeakPolarHBondContact O-CG 3.38Å; I146-E150 PolarHBondContact O-N 2.74Å; E150-K152 VanDerWaalsContact C-N 3.29Å; E150-K152 PolarHBondContact O-N 3.48Å; E150-L153 PolarHBondContact O-N 3.31Å; E150-L153 VanDerWaalsContact O-N 3.12Å; E150-E154 WeakPolarHBondContact O-CB 3.02Å; E150-E154 PolarHBondContact O-N 2.99Å |
| 151 | D | 89.6 | Confident | 83 | Confident | 72 Ų | 72 | 114 Ų | 114 | 39% | 0.385 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.4 | -36.7 | 175 | 170.6 | 73.4 | 0 | 0 | 0 | 112.6 | L147 K155 | L147-D151 WeakPolarHBondContact O-CB 3.48Å; L147-D151 PolarHBondContact O-N 3.26Å; D151-K155 VanDerWaalsContact CG-NZ 3.33Å; D151-K155 WeakPolarHBondContact O-CD 3.49Å; D151-K155 VanDerWaalsContact O-CG 3.31Å; D151-K155 WeakPolarHBondContact O-CG 3.47Å; D151-K155 PolarHBondContact O-N 2.88Å; D151-K155 WeakPolarHBondContact OD1-CE 3.48Å; D151-K155 IonicContact OD1-NZ 3.22Å; D151-K155 PolarHBondContact OD1-NZ 2.7Å; D151-K155 IonicContact OD2-NZ 2.69Å; D151-K155 PolarHBondContact OD2-NZ 2.75Å |
| 152 | K | 88.7 | Confident | 81 | Confident | 143 Ų | 143 | 118 Ų | 118 | 62% | 0.622 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.6 | -38.8 | 174.4 | -76.6 | 178.5 | 178.8 | -171.2 | 0 | 112.2 | R148 I149 E150 K155 L156 | R148-K152 WeakPolarHBondContact O-CB 3.39Å; R148-K152 VanDerWaalsContact O-CG 3.27Å; R148-K152 WeakPolarHBondContact O-CG 3.39Å; R148-K152 PolarHBondContact O-N 3.5Å; I149-K152 PolarHBondContact O-N 3.15Å; E150-K152 VanDerWaalsContact C-N 3.29Å; E150-K152 PolarHBondContact O-N 3.48Å; K152-K155 PolarHBondContact O-N 2.63Å; K152-L156 WeakPolarHBondContact O-CG 3.05Å; K152-L156 PolarHBondContact O-N 2.6Å; K152-L156 VanDerWaalsContact O-N 3.14Å |
| 153 | L | 87.4 | Confident | 78.8 | Confident | 93 Ų | 93 | 118.1 Ų | 118.1 | 49% | 0.487 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.9 | -44.9 | 178 | -171.6 | 69.8 | 0 | 0 | 0 | 110.1 | I149 E150 K155 L156 E157 | I149-L153 WeakPolarHBondContact O-CB 3.44Å; I149-L153 PolarHBondContact O-N 3.47Å; E150-L153 PolarHBondContact O-N 3.31Å; E150-L153 VanDerWaalsContact O-N 3.12Å; L153-K155 VanDerWaalsContact C-N 3.27Å; L153-K155 PolarHBondContact O-N 2.67Å; L153-L156 CarbonylContact O-C 3.56Å; L153-L156 WeakPolarHBondContact O-CA 3.26Å; L153-L156 PolarHBondContact O-N 3.03Å; L153-E157 HydrophobicContact CG-CG 4.43Å; L153-E157 WeakPolarHBondContact O-CG 3.49Å; L153-E157 PolarHBondContact O-N 2.87Å |
| 154 | E | 82.4 | Confident | 76.6 | Confident | 126 Ų | 126 | 122.7 Ų | 122.7 | 59% | 0.589 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61 | -36.6 | 177.8 | -161.7 | 176.3 | -159.7 | 0 | 0 | 111.6 | E150 L156 Q158 | E150-E154 WeakPolarHBondContact O-CB 3.02Å; E150-E154 PolarHBondContact O-N 2.99Å; E154-L156 VanDerWaalsContact C-N 3.35Å; E154-Q158 WeakPolarHBondContact O-CG 3.48Å; E154-Q158 PolarHBondContact O-N 3.12Å; E154-Q158 VanDerWaalsContact O-N 3.16Å |
| 155 | K | 80 | Confident | 74.6 | Confident | 122 Ų | 122 | 129 Ų | 129 | 53% | 0.53 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.2 | -29.4 | 172.3 | -75 | 168 | -176.3 | 160.3 | 0 | 114.1 | D151 K152 L153 | D151-K155 VanDerWaalsContact CG-NZ 3.33Å; D151-K155 WeakPolarHBondContact O-CD 3.49Å; D151-K155 VanDerWaalsContact O-CG 3.31Å; D151-K155 WeakPolarHBondContact O-CG 3.47Å; D151-K155 PolarHBondContact O-N 2.88Å; D151-K155 WeakPolarHBondContact OD1-CE 3.48Å; D151-K155 IonicContact OD1-NZ 3.22Å; D151-K155 PolarHBondContact OD1-NZ 2.7Å; D151-K155 IonicContact OD2-NZ 2.69Å; D151-K155 PolarHBondContact OD2-NZ 2.75Å; K152-K155 PolarHBondContact O-N 2.63Å; L153-K155 VanDerWaalsContact C-N 3.27Å; L153-K155 PolarHBondContact O-N 2.67Å |
| 156 | L | 76.2 | Confident | 72.5 | Confident | 142 Ų | 142 | 129.1 Ų | 129.1 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -84.5 | -31.8 | 176.9 | -70.2 | 171.2 | 0 | 0 | 0 | 112 | K152 L153 E154 Q158 | K152-L156 WeakPolarHBondContact O-CG 3.05Å; K152-L156 PolarHBondContact O-N 2.6Å; K152-L156 VanDerWaalsContact O-N 3.14Å; L153-L156 CarbonylContact O-C 3.56Å; L153-L156 WeakPolarHBondContact O-CA 3.26Å; L153-L156 PolarHBondContact O-N 3.03Å; E154-L156 VanDerWaalsContact C-N 3.35Å; L156-Q158 PolarHBondContact O-N 2.78Å |
| 157 | E | 72.1 | Confident | 70.3 | Confident | 140 Ų | 140 | 128.8 Ų | 128.8 | 65% | 0.654 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.3 | -24 | 173.3 | -76.7 | -172.6 | 167.8 | 0 | 0 | 112.1 | L153 P159 | L153-E157 HydrophobicContact CG-CG 4.43Å; L153-E157 WeakPolarHBondContact O-CG 3.49Å; L153-E157 PolarHBondContact O-N 2.87Å; E157-P159 WeakPolarHBondContact O-CD 3.39Å |
| 158 | Q | 62.1 | Low | 68.1 | Low | 129 Ų | 129 | 135 Ų | 135 | 60% | 0.603 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -58.1 | 112.7 | 164.2 | -74.1 | 175 | 28.5 | 0 | 0 | 108.3 | E154 L156 A160 | E154-Q158 WeakPolarHBondContact O-CG 3.48Å; E154-Q158 PolarHBondContact O-N 3.12Å; E154-Q158 VanDerWaalsContact O-N 3.16Å; L156-Q158 PolarHBondContact O-N 2.78Å; Q158-A160 PolarHBondContact O-N 3.05Å |
| 159 | P | 58.6 | Low | 66 | Low | 83 Ų | 83 | 133.6 Ų | 133.6 | 54% | 0.539 | 67% | 0.671 | S | S | . | * | trans | -63 | 109.8 | -170.5 | 23.9 | -32.8 | 0 | 0 | 0 | 109.3 | E157 F161 L162 | E157-P159 WeakPolarHBondContact O-CD 3.39Å; P159-F161 HydrophobicContact CB-CB 4.26Å; P159-F161 PolarHBondContact O-N 3.03Å; P159-L162 PolarHBondContact O-N 3Å | ||
| 160 | A | 57.9 | Low | 63.8 | Low | 73 Ų | 73 | 139.8 Ų | 139.8 | 60% | 0.603 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -55.8 | -11.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q158 L162 S163 | Q158-A160 PolarHBondContact O-N 3.05Å; A160-L162 PolarHBondContact O-N 3.4Å; A160-S163 PolarHBondContact O-N 2.9Å; A160-S163 PolarHBondContact O-OG 3.14Å |
| 161 | F | 52.3 | Low | 62.4 | Low | 187 Ų | 187 | 141.5 Ų | 141.5 | 82% | 0.82 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -57.7 | -21.3 | 173.2 | -90.1 | -83.7 | 0 | 0 | 0 | 115.4 | P159 | P159-F161 HydrophobicContact CB-CB 4.26Å; P159-F161 PolarHBondContact O-N 3.03Å |
| 162 | L | 51.8 | Low | 61 | Low | 156 Ų | 156 | 145.2 Ų | 145.2 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -90.4 | 0.2 | 177.2 | -66.3 | 178.8 | 0 | 0 | 0 | 114.6 | P159 A160 | P159-L162 PolarHBondContact O-N 3Å; A160-L162 PolarHBondContact O-N 3.4Å |
| 163 | S | 51.6 | Low | 59.5 | Low | 97 Ų | 97 | 145.3 Ų | 145.3 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -101.5 | -6.2 | 178.1 | 70.1 | 0 | 0 | 0 | 0 | 114.9 | A160 R165 | A160-S163 PolarHBondContact O-N 2.9Å; A160-S163 PolarHBondContact O-OG 3.14Å; S163-R165 PolarHBondContact O-N 3.4Å |
| 164 | W | 48.3 | Very low | 57.8 | Low | 221 Ų | 221 | 148.4 Ų | 148.4 | 84% | 0.837 | 75% | 0.754 | S | S | * | * | trans | -70.5 | 82.1 | 154.7 | -79.7 | 68 | 0 | 0 | 0 | 106.6 | D166 | W164-D166 VanDerWaalsContact C-N 3.25Å; W164-D166 PolarHBondContact O-N 2.98Å | ||
| 165 | R | 49.9 | Very low | 56.3 | Low | 235 Ų | 235 | 149.8 Ų | 149.8 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | -55.3 | 105 | 155 | -96.8 | -169.8 | -176.4 | -157.3 | 2.2 | 104.9 | S163 G167 | S163-R165 PolarHBondContact O-N 3.4Å; R165-G167 PolarHBondContact O-N 2.99Å | ||
| 166 | D | 50.6 | Low | 54.7 | Low | 134 Ų | 134 | 151.6 Ų | 151.6 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | trans | -44.9 | 110.9 | 165.5 | -75.5 | -46.6 | 0 | 0 | 0 | 107.9 | W164 R168 | W164-D166 VanDerWaalsContact C-N 3.25Å; W164-D166 PolarHBondContact O-N 2.98Å; D166-R168 PolarHBondContact O-N 3.23Å | ||
| 167 | G | 49.2 | Very low | 53.2 | Low | 84 Ų | 84 | 152.3 Ų | 152.3 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | -70.8 | 53.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | R165 | R165-G167 PolarHBondContact O-N 2.99Š| ||
| 168 | R | 47 | Very low | 51.7 | Low | 218 Ų | 218 | 153.2 Ų | 153.2 | 82% | 0.823 | 79% | 0.792 | S | S | * | * | trans | -137.8 | 89.7 | 176.7 | -71.4 | -169.5 | -164.6 | 179.1 | 6.3 | 109 | D166 | D166-R168 PolarHBondContact O-N 3.23Š| ||
| 169 | T | 46.6 | Very low | 50.9 | Low | 133 Ų | 133 | 155.3 Ų | 155.3 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | trans | -172.7 | 82.4 | 140.9 | 30.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 170 | N | 46.7 | Very low | 50.2 | Low | 242 Ų | 242 | 161.8 Ų | 161.8 | 100% | 1.294 | 83% | 0.833 | S | S | * | * | trans | 171.9 | 0 | 131.2 | -82.7 | -15.4 | 0 | 0 | 0 | 109.4 |
Retrieved 170 of 170 residues in 66.3 ms
(Link to these results)