| 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 | 47.8 | Very low | 52.1 | Low | 200 Ų | 200 | 123.8 Ų | 123.8 | 99% | 0.985 | 62% | 0.62 | S | S | * | * | 0 | -41.6 | 0 | -75 | 175.9 | 80.1 | 0 | 0 | 113.2 | W3 M4 H5 | M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.46Å; M1-M4 PolarHBondContact O-N 3Å; M1-H5 PolarHBondContact O-CD2 3.03Å | |||
| 2 | I | 43.8 | Very low | 52.5 | Low | 149 Ų | 149 | 120.8 Ų | 120.8 | 76% | 0.764 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.2 | -35.9 | 179.3 | -60.5 | 166.9 | 0 | 0 | 0 | 113.2 | M4 H5 A6 | I2-M4 PolarHBondContact O-N 3.43Å; I2-H5 PolarHBondContact O-N 3.25Å; I2-A6 PolarHBondContact O-N 2.76Å |
| 3 | W | 42.7 | Very low | 52.7 | Low | 185 Ų | 185 | 117.8 Ų | 117.8 | 70% | 0.701 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67 | -33.1 | 177.3 | -105.9 | 57.1 | 0 | 0 | 0 | 114.4 | M1 A6 V7 V37 | M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.46Å; W3-A6 PolarHBondContact O-N 2.92Å; W3-V7 WeakPolarHBondContact O-CG2 3.44Å; W3-V7 PolarHBondContact O-N 2.89Å; W3-V37 HydrophobicContact CH2-CG1 4.45Å |
| 4 | M | 46.6 | Very low | 52.8 | Low | 136 Ų | 136 | 112.5 Ų | 112.5 | 67% | 0.67 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.1 | -36.4 | 178.2 | -119.3 | -152.9 | 128 | 0 | 0 | 111.4 | M1 I2 V7 I8 | M1-M4 PolarHBondContact O-N 3Å; I2-M4 PolarHBondContact O-N 3.43Å; M4-V7 PolarHBondContact O-N 3.31Å; M4-I8 HydrophobicContact CE-CD1 4.47Å; M4-I8 WeakPolarHBondContact O-CD1 3.48Å; M4-I8 VanDerWaalsContact O-CG1 3.28Å; M4-I8 WeakPolarHBondContact O-CG1 3.29Å; M4-I8 PolarHBondContact O-N 2.9Å; M4-I8 VanDerWaalsContact O-N 3.17Å |
| 5 | H | 51.7 | Low | 52.9 | Low | 124 Ų | 124 | 111.7 Ų | 111.7 | 57% | 0.574 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.8 | -38.2 | 173.9 | -73.3 | -60.8 | 0 | 0 | 0 | 112.3 | M1 I2 V7 I8 V9 | M1-H5 PolarHBondContact O-CD2 3.03Å; I2-H5 PolarHBondContact O-N 3.25Å; H5-V7 PolarHBondContact O-N 2.94Å; H5-I8 PolarHBondContact O-N 2.92Å; H5-V9 WeakPolarHBondContact O-CB 3.43Å; H5-V9 WeakPolarHBondContact O-CG2 3.42Å; H5-V9 PolarHBondContact O-N 3.49Å |
| 6 | A | 52.8 | Low | 53 | Low | 55 Ų | 55 | 112.3 Ų | 112.3 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.2 | -39.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I2 W3 F10 | I2-A6 PolarHBondContact O-N 2.76Å; W3-A6 PolarHBondContact O-N 2.92Å; A6-F10 PolarHBondContact O-N 3.44Å |
| 7 | V | 58.5 | Low | 52.8 | Low | 67 Ų | 67 | 111.8 Ų | 111.8 | 41% | 0.406 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.7 | -38.1 | 178.9 | 173.7 | 0 | 0 | 0 | 0 | 112 | W3 M4 H5 F10 L11 | W3-V7 WeakPolarHBondContact O-CG2 3.44Å; W3-V7 PolarHBondContact O-N 2.89Å; M4-V7 PolarHBondContact O-N 3.31Å; H5-V7 PolarHBondContact O-N 2.94Å; V7-F10 PolarHBondContact O-N 3.38Å; V7-L11 HydrophobicContact CG1-CD1 3.98Å; V7-L11 WeakPolarHBondContact O-CB 3.46Å; V7-L11 WeakPolarHBondContact O-CG 3.2Å; V7-L11 PolarHBondContact O-N 3.38Å |
| 8 | I | 57.9 | Low | 52.5 | Low | 84 Ų | 84 | 109.9 Ų | 109.9 | 43% | 0.431 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.1 | -40.4 | 176.3 | -66.7 | 166.4 | 0 | 0 | 0 | 110.7 | M4 H5 F10 L11 C12 | M4-I8 HydrophobicContact CE-CD1 4.47Å; M4-I8 WeakPolarHBondContact O-CD1 3.48Å; M4-I8 VanDerWaalsContact O-CG1 3.28Å; M4-I8 WeakPolarHBondContact O-CG1 3.29Å; M4-I8 PolarHBondContact O-N 2.9Å; M4-I8 VanDerWaalsContact O-N 3.17Å; H5-I8 PolarHBondContact O-N 2.92Å; I8-F10 VanDerWaalsContact C-N 3.34Å; I8-F10 PolarHBondContact O-N 2.94Å; I8-L11 PolarHBondContact O-N 3.32Å; I8-C12 WeakPolarHBondContact O-CB 3.31Å; I8-C12 PolarHBondContact O-N 2.96Å |
| 9 | V | 58.5 | Low | 52.5 | Low | 86 Ų | 86 | 108.5 Ų | 108.5 | 52% | 0.521 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.2 | -40.5 | 174.9 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | H5 C12 L13 | H5-V9 WeakPolarHBondContact O-CB 3.43Å; H5-V9 WeakPolarHBondContact O-CG2 3.42Å; H5-V9 PolarHBondContact O-N 3.49Å; V9-C12 PolarHBondContact O-N 3.25Å; V9-L13 HydrophobicContact CG1-CD1 3.64Å; V9-L13 WeakPolarHBondContact O-CB 3.3Å; V9-L13 WeakPolarHBondContact O-CD1 3.42Å; V9-L13 WeakPolarHBondContact O-CG 3.46Å; V9-L13 PolarHBondContact O-N 3.5Å |
| 10 | F | 56.1 | Low | 52.4 | Low | 159 Ų | 159 | 111.9 Ų | 111.9 | 70% | 0.697 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.5 | -38.3 | 175.9 | -125.4 | -90 | 0 | 0 | 0 | 113.1 | A6 V7 I8 L13 C14 | A6-F10 PolarHBondContact O-N 3.44Å; V7-F10 PolarHBondContact O-N 3.38Å; I8-F10 VanDerWaalsContact C-N 3.34Å; I8-F10 PolarHBondContact O-N 2.94Å; F10-L13 PolarHBondContact O-N 3.41Å; F10-C14 PolarHBondContact O-N 3.44Å |
| 11 | L | 56.8 | Low | 52.3 | Low | 117 Ų | 117 | 110.2 Ų | 110.2 | 61% | 0.613 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.2 | -32.7 | 175.9 | -78.7 | 162.2 | 0 | 0 | 0 | 112.7 | V7 I8 | V7-L11 HydrophobicContact CG1-CD1 3.98Å; V7-L11 WeakPolarHBondContact O-CB 3.46Å; V7-L11 WeakPolarHBondContact O-CG 3.2Å; V7-L11 PolarHBondContact O-N 3.38Å; I8-L11 PolarHBondContact O-N 3.32Å |
| 12 | C | 57.1 | Low | 52.4 | Low | 87 Ų | 87 | 108.5 Ų | 108.5 | 59% | 0.588 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -77.5 | -17.1 | 175.4 | -75.9 | 0 | 0 | 0 | 0 | 113.9 | I8 V9 P15 | I8-C12 WeakPolarHBondContact O-CB 3.31Å; I8-C12 PolarHBondContact O-N 2.96Å; V9-C12 PolarHBondContact O-N 3.25Å; C12-P15 WeakPolarHBondContact O-CD 3.47Å |
| 13 | L | 54.6 | Low | 52.7 | Low | 82 Ų | 82 | 109.3 Ų | 109.3 | 43% | 0.429 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -95.1 | -21.5 | -177.4 | -80.8 | 159.4 | 0 | 0 | 0 | 115.1 | V9 F10 P15 I16 L17 | V9-L13 HydrophobicContact CG1-CD1 3.64Å; V9-L13 WeakPolarHBondContact O-CB 3.3Å; V9-L13 WeakPolarHBondContact O-CD1 3.42Å; V9-L13 WeakPolarHBondContact O-CG 3.46Å; V9-L13 PolarHBondContact O-N 3.5Å; F10-L13 PolarHBondContact O-N 3.41Å; L13-P15 VanDerWaalsContact C-CD 3.44Å; L13-I16 HydrophobicContact CD2-CD1 4.42Å; L13-I16 PolarHBondContact O-N 3.06Å; L13-I16 VanDerWaalsContact O-N 3.15Å; L13-L17 PolarHBondContact O-N 3.49Å |
| 14 | C | 54.1 | Low | 53.2 | Low | 44 Ų | 44 | 103.6 Ų | 103.6 | 30% | 0.297 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.8 | -33 | 175.4 | -109.1 | 0 | 0 | 0 | 0 | 114.5 | F10 I16 L17 A18 C24 | F10-C14 PolarHBondContact O-N 3.44Å; C14-I16 PolarHBondContact O-N 2.85Å; C14-L17 PolarHBondContact O-N 3.28Å; C14-A18 PolarHBondContact O-N 2.89Å; C14-C24 WeakPolarHBondContact CB-SG 3.49Å; C14-C24 WeakPolarHBondContact SG-CB 3.45Å; C14-C24 CovalentContact SG-SG 2.12Å; C14-C24 PolarHBondContact SG-SG 2.82Å |
| 15 | P | 54.8 | Low | 53.8 | Low | 101 Ų | 101 | 100.8 Ų | 100.8 | 66% | 0.656 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.5 | -15.7 | 176.8 | 26.1 | -33 | 0 | 0 | 0 | 113.4 | C12 L13 | C12-P15 WeakPolarHBondContact O-CD 3.47Å; L13-P15 VanDerWaalsContact C-CD 3.44Å |
| 16 | I | 54.6 | Low | 54.7 | Low | 121 Ų | 121 | 97.3 Ų | 97.3 | 62% | 0.621 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -89.2 | -25.8 | 177.7 | -54.9 | 177.8 | 0 | 0 | 0 | 111.1 | L13 C14 | L13-I16 HydrophobicContact CD2-CD1 4.42Å; L13-I16 PolarHBondContact O-N 3.06Å; L13-I16 VanDerWaalsContact O-N 3.15Å; C14-I16 PolarHBondContact O-N 2.85Å |
| 17 | L | 49.5 | Very low | 55.3 | Low | 103 Ų | 103 | 104.2 Ų | 104.2 | 54% | 0.539 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -87.3 | -10.1 | -178.2 | -83.1 | 156.2 | 0 | 0 | 0 | 114.8 | L13 C14 A19 F20 | L13-L17 PolarHBondContact O-N 3.49Å; C14-L17 PolarHBondContact O-N 3.28Å; L17-A19 PolarHBondContact O-N 2.87Å; L17-F20 PolarHBondContact O-N 3.15Å |
| 18 | A | 48 | Very low | 55.6 | Low | 78 Ų | 78 | 108.2 Ų | 108.2 | 65% | 0.645 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -66.4 | -13.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | C14 F20 | C14-A18 PolarHBondContact O-N 2.89Å; A18-F20 VanDerWaalsContact C-N 3.32Å; A18-F20 PolarHBondContact O-N 3.47Å |
| 19 | A | 52 | Low | 56 | Low | 84 Ų | 84 | 108.2 Ų | 108.2 | 69% | 0.694 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -77.7 | -10.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L17 | L17-A19 PolarHBondContact O-N 2.87Š|
| 20 | F | 49.4 | Very low | 56.1 | Low | 175 Ų | 175 | 108.3 Ų | 108.3 | 77% | 0.768 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -118.3 | 21.8 | -174.9 | -80.6 | -79.3 | 0 | 0 | 0 | 114.9 | L17 A18 Q22 | L17-F20 PolarHBondContact O-N 3.15Å; A18-F20 VanDerWaalsContact C-N 3.32Å; A18-F20 PolarHBondContact O-N 3.47Å; F20-Q22 PolarHBondContact O-N 3.38Å |
| 21 | G | 52.1 | Low | 56.8 | Low | 77 Ų | 77 | 105.8 Ų | 105.8 | 79% | 0.794 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.6 | 38.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 22 | Q | 50 | Low | 57.4 | Low | 164 Ų | 164 | 103 Ų | 103 | 77% | 0.766 | 58% | 0.582 | S | S | * | * | trans | -125.1 | 124.7 | 177.4 | -147.6 | 149.3 | -15.8 | 0 | 0 | 110.2 | F20 C24 | F20-Q22 PolarHBondContact O-N 3.38Å; Q22-C24 PolarHBondContact O-N 2.93Å | ||
| 23 | D | 48.8 | Very low | 58 | Low | 167 Ų | 167 | 101.8 Ų | 101.8 | 89% | 0.893 | 58% | 0.575 | S | S | * | * | trans | -60.3 | 114.5 | -176.5 | -75.7 | -45.7 | 0 | 0 | 0 | 111.5 | ||||
| 24 | C | 54.5 | Low | 58.8 | Low | 65 Ų | 65 | 102.2 Ų | 102.2 | 44% | 0.439 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 129.7 | 168.9 | -80.8 | 0 | 0 | 0 | 0 | 107.8 | C14 Q22 | C14-C24 WeakPolarHBondContact CB-SG 3.49Å; C14-C24 WeakPolarHBondContact SG-CB 3.45Å; C14-C24 CovalentContact SG-SG 2.12Å; C14-C24 PolarHBondContact SG-SG 2.82Å; Q22-C24 PolarHBondContact O-N 2.93Å |
| 25 | P | 59.2 | Low | 60 | Low | 77 Ų | 77 | 107.4 Ų | 107.4 | 50% | 0.5 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 142.9 | 179 | 23.6 | -32.2 | 0 | 0 | 0 | 111.1 | D29 M30 | P25-D29 HydrophobicContact CB-CB 4.25Å; P25-M30 HydrophobicContact CG-CG 4.32Å |
| 26 | S | 70.4 | Confident | 61.2 | Low | 50 Ų | 50 | 108.5 Ų | 108.5 | 35% | 0.35 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 153.9 | -175.9 | 80.8 | 0 | 0 | 0 | 0 | 110.9 | Q28 D29 M30 | S26-Q28 PolarHBondContact O-N 2.72Å; S26-Q28 PolarHBondContact OG-N 3.18Å; S26-D29 VanDerWaalsContact CB-OD2 3.29Å; S26-D29 WeakPolarHBondContact CB-OD2 3.33Å; S26-D29 PolarHBondContact N-OD2 2.81Å; S26-D29 WeakPolarHBondContact O-CB 3.36Å; S26-D29 PolarHBondContact O-N 3.49Å; S26-D29 PolarHBondContact OG-N 3.39Å; S26-D29 PolarHBondContact OG-OD2 2.97Å; S26-M30 PolarHBondContact O-N 2.98Å; S26-M30 VanDerWaalsContact O-N 3.09Å |
| 27 | R | 65.3 | Low | 62 | Low | 201 Ų | 201 | 106.2 Ų | 106.2 | 76% | 0.758 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -54.6 | -28.7 | 176 | -172.9 | 176.1 | 176.5 | 167.2 | -0.3 | 112 | Q31 | R27-Q31 WeakPolarHBondContact O-CG 3.41Å; R27-Q31 PolarHBondContact O-N 2.88Å |
| 28 | Q | 64.9 | Low | 63.4 | Low | 151 Ų | 151 | 107.6 Ų | 107.6 | 71% | 0.706 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.6 | -37.8 | 175.5 | -70.9 | -179.8 | -19.5 | 0 | 0 | 112.2 | S26 Q31 S32 | S26-Q28 PolarHBondContact O-N 2.72Å; S26-Q28 PolarHBondContact OG-N 3.18Å; Q28-Q31 PolarHBondContact O-N 2.96Å; Q28-S32 PolarHBondContact O-N 2.93Å; Q28-S32 PolarHBondContact O-OG 3.42Å |
| 29 | D | 64.5 | Low | 65.1 | Low | 83 Ų | 83 | 111 Ų | 111 | 44% | 0.444 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.7 | -36.4 | 177.7 | -60.2 | -43.7 | 0 | 0 | 0 | 112.6 | P25 S26 S32 S33 | P25-D29 HydrophobicContact CB-CB 4.25Å; S26-D29 VanDerWaalsContact CB-OD2 3.29Å; S26-D29 WeakPolarHBondContact CB-OD2 3.33Å; S26-D29 PolarHBondContact N-OD2 2.81Å; S26-D29 WeakPolarHBondContact O-CB 3.36Å; S26-D29 PolarHBondContact O-N 3.49Å; S26-D29 PolarHBondContact OG-N 3.39Å; S26-D29 PolarHBondContact OG-OD2 2.97Å; D29-S32 WeakPolarHBondContact CA-OG 3.47Å; D29-S32 PolarHBondContact O-OG 3.33Å; D29-S33 VanDerWaalsContact O-CB 3.31Å; D29-S33 WeakPolarHBondContact O-CB 3.47Å; D29-S33 PolarHBondContact O-N 3.44Å; D29-S33 PolarHBondContact O-OG 2.86Å |
| 30 | M | 61.6 | Low | 66.5 | Low | 88 Ų | 88 | 112.2 Ų | 112.2 | 43% | 0.433 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.3 | -39.9 | 171.9 | -80.4 | -167.3 | -86.9 | 0 | 0 | 111.5 | P25 S26 S33 L34 | P25-M30 HydrophobicContact CG-CG 4.32Å; S26-M30 PolarHBondContact O-N 2.98Å; S26-M30 VanDerWaalsContact O-N 3.09Å; M30-S33 PolarHBondContact O-N 3.35Å; M30-L34 WeakPolarHBondContact O-CB 3.44Å; M30-L34 PolarHBondContact O-N 3.48Å |
| 31 | Q | 70.3 | Confident | 67.7 | Low | 106 Ų | 106 | 109.7 Ų | 109.7 | 50% | 0.495 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.1 | -37.3 | 177.4 | -78.5 | -177 | -22.1 | 0 | 0 | 112.9 | R27 Q28 K35 | R27-Q31 WeakPolarHBondContact O-CG 3.41Å; R27-Q31 PolarHBondContact O-N 2.88Å; Q28-Q31 PolarHBondContact O-N 2.96Å; Q31-K35 WeakPolarHBondContact O-CG 3.34Å; Q31-K35 PolarHBondContact O-N 2.95Å |
| 32 | S | 68.9 | Low | 69.2 | Low | 59 Ų | 59 | 109.1 Ų | 109.1 | 41% | 0.413 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.1 | -43.7 | 175.2 | 66.2 | 0 | 0 | 0 | 0 | 111 | Q28 D29 L34 K35 Q36 | Q28-S32 PolarHBondContact O-N 2.93Å; Q28-S32 PolarHBondContact O-OG 3.42Å; D29-S32 WeakPolarHBondContact CA-OG 3.47Å; D29-S32 PolarHBondContact O-OG 3.33Å; S32-L34 PolarHBondContact O-N 2.96Å; S32-K35 PolarHBondContact O-N 3.29Å; S32-Q36 WeakPolarHBondContact O-CB 3.39Å; S32-Q36 PolarHBondContact O-N 2.98Å |
| 33 | S | 70.6 | Confident | 70.8 | Confident | 62 Ų | 62 | 105 Ų | 105 | 43% | 0.434 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 175.7 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | D29 M30 Q36 V37 | D29-S33 VanDerWaalsContact O-CB 3.31Å; D29-S33 WeakPolarHBondContact O-CB 3.47Å; D29-S33 PolarHBondContact O-N 3.44Å; D29-S33 PolarHBondContact O-OG 2.86Å; M30-S33 PolarHBondContact O-N 3.35Å; S33-Q36 WeakPolarHBondContact O-CB 3.29Å; S33-Q36 PolarHBondContact O-N 2.91Å; S33-V37 WeakPolarHBondContact O-CG2 3.44Å; S33-V37 PolarHBondContact O-N 2.86Å |
| 34 | L | 71.7 | Confident | 72.3 | Confident | 91 Ų | 91 | 103.4 Ų | 103.4 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 179.5 | -144.6 | 149.8 | 0 | 0 | 0 | 111.4 | M30 S32 Q36 V37 Q38 | M30-L34 WeakPolarHBondContact O-CB 3.44Å; M30-L34 PolarHBondContact O-N 3.48Å; S32-L34 PolarHBondContact O-N 2.96Å; L34-Q36 VanDerWaalsContact C-N 3.31Å; L34-Q36 PolarHBondContact O-N 3.33Å; L34-V37 PolarHBondContact O-N 2.83Å; L34-Q38 VanDerWaalsContact O-CB 3.32Å; L34-Q38 WeakPolarHBondContact O-CB 3.43Å; L34-Q38 PolarHBondContact O-N 2.86Å |
| 35 | K | 79.3 | Confident | 73.8 | Confident | 153 Ų | 153 | 106 Ų | 106 | 67% | 0.665 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.9 | -38.8 | 170.4 | -75.5 | 176.8 | 179.9 | 179.1 | 0 | 111.9 | Q31 S32 Q38 K39 | Q31-K35 WeakPolarHBondContact O-CG 3.34Å; Q31-K35 PolarHBondContact O-N 2.95Å; S32-K35 PolarHBondContact O-N 3.29Å; K35-Q38 PolarHBondContact O-N 2.88Å; K35-K39 WeakPolarHBondContact O-CB 3.29Å; K35-K39 PolarHBondContact O-N 3.35Å |
| 36 | Q | 78.7 | Confident | 75 | Confident | 124 Ų | 124 | 104.9 Ų | 104.9 | 58% | 0.579 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.9 | -41.8 | 178.7 | -166.8 | 170.3 | -2 | 0 | 0 | 111.9 | S32 S33 L34 K39 L40 | S32-Q36 WeakPolarHBondContact O-CB 3.39Å; S32-Q36 PolarHBondContact O-N 2.98Å; S33-Q36 WeakPolarHBondContact O-CB 3.29Å; S33-Q36 PolarHBondContact O-N 2.91Å; L34-Q36 VanDerWaalsContact C-N 3.31Å; L34-Q36 PolarHBondContact O-N 3.33Å; Q36-K39 PolarHBondContact O-N 3.47Å; Q36-L40 PolarHBondContact O-N 2.91Å |
| 37 | V | 72.8 | Confident | 75.6 | Confident | 72 Ų | 72 | 105.2 Ų | 105.2 | 44% | 0.436 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 173.9 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | W3 S33 L34 K39 L40 L41 | W3-V37 HydrophobicContact CH2-CG1 4.45Å; S33-V37 WeakPolarHBondContact O-CG2 3.44Å; S33-V37 PolarHBondContact O-N 2.86Å; L34-V37 PolarHBondContact O-N 2.83Å; V37-K39 VanDerWaalsContact C-N 3.31Å; V37-K39 PolarHBondContact O-N 3.23Å; V37-L40 WeakPolarHBondContact O-CB 3.3Å; V37-L40 PolarHBondContact O-N 2.71Å; V37-L41 WeakPolarHBondContact O-CB 3.43Å; V37-L41 PolarHBondContact O-N 3.15Å |
| 38 | Q | 78.4 | Confident | 76.1 | Confident | 132 Ų | 132 | 102 Ų | 102 | 62% | 0.617 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.4 | -34.6 | 178.2 | -164.7 | 161.6 | -1.6 | 0 | 0 | 112.1 | L34 K35 S42 | L34-Q38 VanDerWaalsContact O-CB 3.32Å; L34-Q38 WeakPolarHBondContact O-CB 3.43Å; L34-Q38 PolarHBondContact O-N 2.86Å; K35-Q38 PolarHBondContact O-N 2.88Å; Q38-S42 WeakPolarHBondContact O-CB 3.46Å; Q38-S42 PolarHBondContact O-N 2.84Å; Q38-S42 PolarHBondContact O-OG 3.18Å |
| 39 | K | 84.8 | Confident | 77.1 | Confident | 150 Ų | 150 | 98.4 Ų | 98.4 | 65% | 0.652 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.3 | -44.5 | 170.3 | -171 | 172.6 | -178.5 | 178.9 | 0 | 111.7 | K35 Q36 V37 S42 T43 | K35-K39 WeakPolarHBondContact O-CB 3.29Å; K35-K39 PolarHBondContact O-N 3.35Å; Q36-K39 PolarHBondContact O-N 3.47Å; V37-K39 VanDerWaalsContact C-N 3.31Å; V37-K39 PolarHBondContact O-N 3.23Å; K39-S42 WeakPolarHBondContact CA-OG 3.47Å; K39-S42 PolarHBondContact O-N 2.92Å; K39-S42 PolarHBondContact O-OG 3.43Å; K39-T43 VanDerWaalsContact O-CG2 3.29Å; K39-T43 WeakPolarHBondContact O-CG2 3.49Å; K39-T43 PolarHBondContact O-N 2.95Å; K39-T43 PolarHBondContact O-OG1 3.49Å |
| 40 | L | 79.5 | Confident | 78.2 | Confident | 110 Ų | 110 | 100.5 Ų | 100.5 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.6 | -44.9 | 175.9 | -104.6 | 146.8 | 0 | 0 | 0 | 112.2 | Q36 V37 T43 H44 | Q36-L40 PolarHBondContact O-N 2.91Å; V37-L40 WeakPolarHBondContact O-CB 3.3Å; V37-L40 PolarHBondContact O-N 2.71Å; L40-T43 WeakPolarHBondContact CA-OG1 3.32Å; L40-T43 PolarHBondContact O-N 3.37Å; L40-T43 PolarHBondContact O-OG1 2.92Å; L40-H44 WeakPolarHBondContact O-CB 3.36Å; L40-H44 PolarHBondContact O-N 2.87Å |
| 41 | L | 75.8 | Confident | 79.1 | Confident | 122 Ų | 122 | 99.3 Ų | 99.3 | 64% | 0.639 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -44.5 | -179.4 | -148.5 | 79.1 | 0 | 0 | 0 | 111.5 | V37 T43 H44 E45 | V37-L41 WeakPolarHBondContact O-CB 3.43Å; V37-L41 PolarHBondContact O-N 3.15Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 3.5Å; L41-H44 PolarHBondContact O-N 3.04Å; L41-E45 WeakPolarHBondContact O-CB 3.33Å; L41-E45 PolarHBondContact O-N 3.06Å |
| 42 | S | 84.1 | Confident | 79.6 | Confident | 65 Ų | 65 | 97.8 Ų | 97.8 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 175.8 | 54 | 0 | 0 | 0 | 0 | 112.5 | Q38 K39 A46 | Q38-S42 WeakPolarHBondContact O-CB 3.46Å; Q38-S42 PolarHBondContact O-N 2.84Å; Q38-S42 PolarHBondContact O-OG 3.18Å; K39-S42 WeakPolarHBondContact CA-OG 3.47Å; K39-S42 PolarHBondContact O-N 2.92Å; K39-S42 PolarHBondContact O-OG 3.43Å; S42-A46 WeakPolarHBondContact O-CB 3.34Å; S42-A46 PolarHBondContact O-N 3.47Å |
| 43 | T | 81.8 | Confident | 80.3 | Confident | 76 Ų | 76 | 103 Ų | 103 | 47% | 0.466 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.4 | -37.7 | 173 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | K39 L40 L41 A46 A47 | K39-T43 VanDerWaalsContact O-CG2 3.29Å; K39-T43 WeakPolarHBondContact O-CG2 3.49Å; K39-T43 PolarHBondContact O-N 2.95Å; K39-T43 PolarHBondContact O-OG1 3.49Å; L40-T43 WeakPolarHBondContact CA-OG1 3.32Å; L40-T43 PolarHBondContact O-N 3.37Å; L40-T43 PolarHBondContact O-OG1 2.92Å; L41-T43 VanDerWaalsContact C-N 3.34Å; L41-T43 PolarHBondContact O-N 3.5Å; T43-A46 PolarHBondContact O-N 3.18Å; T43-A47 WeakPolarHBondContact O-CB 3.36Å; T43-A47 PolarHBondContact O-N 2.91Å |
| 44 | H | 81.8 | Confident | 81 | Confident | 134 Ų | 134 | 103.4 Ų | 103.4 | 62% | 0.62 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.5 | -40.8 | 177.1 | -173.2 | -89.6 | 0 | 0 | 0 | 111.6 | L40 L41 A47 Y48 | L40-H44 WeakPolarHBondContact O-CB 3.36Å; L40-H44 PolarHBondContact O-N 2.87Å; L41-H44 PolarHBondContact O-N 3.04Å; H44-A47 PolarHBondContact O-N 3.43Å; H44-Y48 VanDerWaalsContact O-CB 3.3Å; H44-Y48 WeakPolarHBondContact O-CB 3.43Å; H44-Y48 PolarHBondContact O-N 3.4Å |
| 45 | E | 85.1 | Confident | 81.1 | Confident | 120 Ų | 120 | 103.9 Ų | 103.9 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 174.2 | -171 | 176.2 | -175.6 | 0 | 0 | 111.4 | L41 Y48 L49 | L41-E45 WeakPolarHBondContact O-CB 3.33Å; L41-E45 PolarHBondContact O-N 3.06Å; E45-Y48 PolarHBondContact O-N 3.31Å; E45-L49 HydrophobicContact CG-CD1 4.26Å; E45-L49 WeakPolarHBondContact O-CB 3.45Å; E45-L49 WeakPolarHBondContact O-CG 3.28Å; E45-L49 PolarHBondContact O-N 2.9Å |
| 46 | A | 85 | Confident | 81.2 | Confident | 53 Ų | 53 | 105.2 Ų | 105.2 | 44% | 0.438 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S42 T43 L49 Q50 | S42-A46 WeakPolarHBondContact O-CB 3.34Å; S42-A46 PolarHBondContact O-N 3.47Å; T43-A46 PolarHBondContact O-N 3.18Å; A46-L49 PolarHBondContact O-N 2.91Å; A46-Q50 VanDerWaalsContact O-CB 3.29Å; A46-Q50 WeakPolarHBondContact O-CB 3.47Å; A46-Q50 PolarHBondContact O-N 3.3Å |
| 47 | A | 82.2 | Confident | 81.2 | Confident | 57 Ų | 57 | 107 Ų | 107 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T43 H44 Q50 S51 | T43-A47 WeakPolarHBondContact O-CB 3.36Å; T43-A47 PolarHBondContact O-N 2.91Å; H44-A47 PolarHBondContact O-N 3.43Å; A47-Q50 PolarHBondContact O-N 2.78Å; A47-S51 PolarHBondContact O-N 3.06Å |
| 48 | Y | 76.4 | Confident | 81.4 | Confident | 133 Ų | 133 | 110 Ų | 110 | 52% | 0.522 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.2 | -42.3 | 176.5 | -177.7 | -102.5 | 0 | 0 | 0 | 112.4 | H44 E45 Q50 S51 L52 | H44-Y48 VanDerWaalsContact O-CB 3.3Å; H44-Y48 WeakPolarHBondContact O-CB 3.43Å; H44-Y48 PolarHBondContact O-N 3.4Å; E45-Y48 PolarHBondContact O-N 3.31Å; Y48-Q50 VanDerWaalsContact C-N 3.28Å; Y48-Q50 PolarHBondContact O-N 3.3Å; Y48-S51 PolarHBondContact O-N 2.92Å; Y48-S51 PolarHBondContact O-OG 3.26Å; Y48-L52 HydrophobicContact CD1-CD1 3.88Å; Y48-L52 HydrophobicContact CE1-CD1 3.38Å; Y48-L52 HydrophobicContact CE1-CG 4.25Å; Y48-L52 PolarHBondContact O-N 3.16Å |
| 49 | L | 85.4 | Confident | 81.1 | Confident | 77 Ų | 77 | 108.1 Ų | 108.1 | 40% | 0.403 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.8 | -34 | 173.9 | -72 | 173.2 | 0 | 0 | 0 | 111.7 | E45 A46 R53 | E45-L49 HydrophobicContact CG-CD1 4.26Å; E45-L49 WeakPolarHBondContact O-CB 3.45Å; E45-L49 WeakPolarHBondContact O-CG 3.28Å; E45-L49 PolarHBondContact O-N 2.9Å; A46-L49 PolarHBondContact O-N 2.91Å; L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.35Å; L49-R53 PolarHBondContact O-N 3.45Å |
| 50 | Q | 87.6 | Confident | 80.5 | Confident | 127 Ų | 127 | 104.7 Ų | 104.7 | 59% | 0.593 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.2 | -37.8 | 175.7 | -171.4 | 160.1 | -12.9 | 0 | 0 | 112.4 | A46 A47 Y48 R53 T54 | A46-Q50 VanDerWaalsContact O-CB 3.29Å; A46-Q50 WeakPolarHBondContact O-CB 3.47Å; A46-Q50 PolarHBondContact O-N 3.3Å; A47-Q50 PolarHBondContact O-N 2.78Å; Y48-Q50 VanDerWaalsContact C-N 3.28Å; Y48-Q50 PolarHBondContact O-N 3.3Å; Q50-R53 PolarHBondContact O-N 2.94Å; Q50-T54 WeakPolarHBondContact O-CB 3.33Å; Q50-T54 PolarHBondContact O-N 2.78Å; Q50-T54 PolarHBondContact O-OG1 3.21Å |
| 51 | S | 81.4 | Confident | 80.1 | Confident | 62 Ų | 62 | 105.3 Ų | 105.3 | 43% | 0.434 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 173.1 | 72.3 | 0 | 0 | 0 | 0 | 111.2 | A47 Y48 R53 T54 L55 | A47-S51 PolarHBondContact O-N 3.06Å; Y48-S51 PolarHBondContact O-N 2.92Å; Y48-S51 PolarHBondContact O-OG 3.26Å; S51-R53 PolarHBondContact O-N 3.47Å; S51-T54 WeakPolarHBondContact O-CB 3.31Å; S51-T54 PolarHBondContact O-N 3.03Å; S51-L55 WeakPolarHBondContact O-CB 3.49Å; S51-L55 PolarHBondContact O-N 3.09Å |
| 52 | L | 79.6 | Confident | 79.7 | Confident | 74 Ų | 74 | 105.1 Ų | 105.1 | 39% | 0.387 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62 | -41.7 | 173.2 | -81.1 | 171.4 | 0 | 0 | 0 | 112.9 | Y48 T54 L55 R56 | Y48-L52 HydrophobicContact CD1-CD1 3.88Å; Y48-L52 HydrophobicContact CE1-CD1 3.38Å; Y48-L52 HydrophobicContact CE1-CG 4.25Å; Y48-L52 PolarHBondContact O-N 3.16Å; L52-T54 VanDerWaalsContact C-N 3.31Å; L52-T54 PolarHBondContact O-N 3.22Å; L52-L55 PolarHBondContact O-N 2.74Å; L52-R56 WeakPolarHBondContact O-CB 3.29Å; L52-R56 PolarHBondContact O-N 2.91Å |
| 53 | R | 84.6 | Confident | 78.9 | Confident | 170 Ų | 170 | 107.2 Ų | 107.2 | 64% | 0.642 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.9 | -39.3 | 173.7 | -74 | 175.5 | -163.1 | 164.1 | 5.3 | 111.6 | L49 Q50 S51 R56 K57 | L49-R53 VanDerWaalsContact O-CG 3.3Å; L49-R53 WeakPolarHBondContact O-CG 3.35Å; L49-R53 PolarHBondContact O-N 3.45Å; Q50-R53 PolarHBondContact O-N 2.94Å; S51-R53 PolarHBondContact O-N 3.47Å; R53-R56 PolarHBondContact O-N 3.05Å; R53-K57 WeakPolarHBondContact O-CG 3.38Å; R53-K57 PolarHBondContact O-N 2.61Å |
| 54 | T | 84.6 | Confident | 77.9 | Confident | 70 Ų | 70 | 108.9 Ų | 108.9 | 43% | 0.429 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 177.9 | -51.1 | 0 | 0 | 0 | 0 | 111 | Q50 S51 L52 K57 K58 | Q50-T54 WeakPolarHBondContact O-CB 3.33Å; Q50-T54 PolarHBondContact O-N 2.78Å; Q50-T54 PolarHBondContact O-OG1 3.21Å; S51-T54 WeakPolarHBondContact O-CB 3.31Å; S51-T54 PolarHBondContact O-N 3.03Å; L52-T54 VanDerWaalsContact C-N 3.31Å; L52-T54 PolarHBondContact O-N 3.22Å; T54-K57 PolarHBondContact O-N 3.15Å; T54-K58 PolarHBondContact O-N 3.45Å |
| 55 | L | 74.3 | Confident | 76.8 | Confident | 101 Ų | 101 | 106.2 Ų | 106.2 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 175.4 | -167 | 78 | 0 | 0 | 0 | 111.1 | S51 L52 K57 K58 L59 | S51-L55 WeakPolarHBondContact O-CB 3.49Å; S51-L55 PolarHBondContact O-N 3.09Å; L52-L55 PolarHBondContact O-N 2.74Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-K57 PolarHBondContact O-N 2.91Å; L55-K58 PolarHBondContact O-N 3.22Å; L55-K58 VanDerWaalsContact O-N 3.15Å; L55-L59 WeakPolarHBondContact O-CB 3.37Å; L55-L59 PolarHBondContact O-N 3.43Å |
| 56 | R | 81 | Confident | 75.2 | Confident | 180 Ų | 180 | 103.8 Ų | 103.8 | 68% | 0.679 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.2 | -39 | 175.8 | -169.6 | 173.7 | -178 | 168.2 | -0.1 | 112.1 | L52 R53 L59 N60 | L52-R56 WeakPolarHBondContact O-CB 3.29Å; L52-R56 PolarHBondContact O-N 2.91Å; R53-R56 PolarHBondContact O-N 3.05Å; R56-L59 PolarHBondContact O-N 3.45Å; R56-N60 WeakPolarHBondContact O-CB 3.46Å; R56-N60 PolarHBondContact O-N 3.25Å |
| 57 | K | 79.9 | Confident | 73.5 | Confident | 162 Ų | 162 | 106.1 Ų | 106.1 | 70% | 0.704 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.4 | -42.4 | 172.1 | -79.6 | -175.8 | 176.9 | -175.7 | 0 | 111.9 | R53 T54 L55 N60 L61 | R53-K57 WeakPolarHBondContact O-CG 3.38Å; R53-K57 PolarHBondContact O-N 2.61Å; T54-K57 PolarHBondContact O-N 3.15Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-K57 PolarHBondContact O-N 2.91Å; K57-N60 PolarHBondContact O-N 3.34Å; K57-L61 WeakPolarHBondContact O-CB 3.19Å; K57-L61 PolarHBondContact O-N 3.1Å |
| 58 | K | 75.9 | Confident | 71.8 | Confident | 136 Ų | 136 | 112.5 Ų | 112.5 | 59% | 0.591 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.9 | -41.1 | 174.6 | -75.1 | -174.9 | 175.5 | -173.4 | 0 | 112.1 | T54 L55 L61 L62 | T54-K58 PolarHBondContact O-N 3.45Å; L55-K58 PolarHBondContact O-N 3.22Å; L55-K58 VanDerWaalsContact O-N 3.15Å; K58-L61 WeakPolarHBondContact O-CB 3.46Å; K58-L61 PolarHBondContact O-N 3.44Å; K58-L62 WeakPolarHBondContact O-CB 3.28Å; K58-L62 VanDerWaalsContact O-CG 3.31Å; K58-L62 WeakPolarHBondContact O-CG 3.03Å; K58-L62 PolarHBondContact O-N 3.43Å |
| 59 | L | 72.6 | Confident | 70.4 | Confident | 91 Ų | 91 | 113.3 Ų | 113.3 | 48% | 0.476 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.1 | -44.8 | 175.1 | -109.2 | 158.5 | 0 | 0 | 0 | 112 | L55 R56 L61 L62 Q63 | L55-L59 WeakPolarHBondContact O-CB 3.37Å; L55-L59 PolarHBondContact O-N 3.43Å; R56-L59 PolarHBondContact O-N 3.45Å; L59-L61 VanDerWaalsContact C-N 3.33Å; L59-L61 PolarHBondContact O-N 2.82Å; L59-L62 PolarHBondContact O-N 3.17Å; L59-Q63 WeakPolarHBondContact O-CB 3.4Å; L59-Q63 WeakPolarHBondContact O-CG 3.02Å; L59-Q63 PolarHBondContact O-N 3.42Å |
| 60 | N | 72.4 | Confident | 68.5 | Low | 78 Ų | 78 | 116.3 Ų | 116.3 | 42% | 0.417 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.3 | -34.8 | 174.8 | -74.9 | -11.8 | 0 | 0 | 0 | 112.1 | R56 K57 Q63 N64 | R56-N60 WeakPolarHBondContact O-CB 3.46Å; R56-N60 PolarHBondContact O-N 3.25Å; K57-N60 PolarHBondContact O-N 3.34Å; N60-Q63 PolarHBondContact O-N 3.3Å; N60-N64 VanDerWaalsContact O-CB 3.29Å; N60-N64 WeakPolarHBondContact O-CB 3.44Å; N60-N64 VanDerWaalsContact O-CG 3.31Å; N60-N64 PolarHBondContact O-N 3.21Å |
| 61 | L | 71 | Confident | 66.7 | Low | 124 Ų | 124 | 113.5 Ų | 113.5 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.9 | -42.6 | 174 | -150.7 | 84.7 | 0 | 0 | 0 | 110.8 | K57 K58 L59 N64 T65 | K57-L61 WeakPolarHBondContact O-CB 3.19Å; K57-L61 PolarHBondContact O-N 3.1Å; K58-L61 WeakPolarHBondContact O-CB 3.46Å; K58-L61 PolarHBondContact O-N 3.44Å; L59-L61 VanDerWaalsContact C-N 3.33Å; L59-L61 PolarHBondContact O-N 2.82Å; L61-N64 PolarHBondContact O-N 3.17Å; L61-T65 PolarHBondContact O-N 3.46Å; L61-T65 PolarHBondContact O-OG1 3.09Å |
| 62 | L | 66.7 | Low | 64.8 | Low | 117 Ų | 117 | 120 Ų | 120 | 61% | 0.613 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.4 | -40.7 | 175.9 | -73.7 | 167.3 | 0 | 0 | 0 | 112.4 | K58 L59 T65 A66 | K58-L62 WeakPolarHBondContact O-CB 3.28Å; K58-L62 VanDerWaalsContact O-CG 3.31Å; K58-L62 WeakPolarHBondContact O-CG 3.03Å; K58-L62 PolarHBondContact O-N 3.43Å; L59-L62 PolarHBondContact O-N 3.17Å; L62-T65 VanDerWaalsContact C-OG1 3.26Å; L62-T65 WeakPolarHBondContact CA-OG1 3.3Å; L62-T65 PolarHBondContact O-N 3.48Å; L62-T65 PolarHBondContact O-OG1 3.45Å; L62-A66 WeakPolarHBondContact O-CB 3.43Å; L62-A66 PolarHBondContact O-N 2.75Å |
| 63 | Q | 68 | Low | 63.4 | Low | 110 Ų | 110 | 121.4 Ų | 121.4 | 51% | 0.514 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -68.9 | -35.4 | 175.2 | -76.6 | 178.8 | -35 | 0 | 0 | 112.4 | L59 N60 A66 T67 | L59-Q63 WeakPolarHBondContact O-CB 3.4Å; L59-Q63 WeakPolarHBondContact O-CG 3.02Å; L59-Q63 PolarHBondContact O-N 3.42Å; N60-Q63 PolarHBondContact O-N 3.3Å; Q63-A66 PolarHBondContact O-N 3.49Å; Q63-T67 PolarHBondContact O-N 2.01Å; Q63-T67 PolarHBondContact O-OG1 2.9Å |
| 64 | N | 60.7 | Low | 61.7 | Low | 110 Ų | 110 | 120.2 Ų | 120.2 | 59% | 0.588 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.4 | -28.8 | 173.9 | -77.3 | -13.1 | 0 | 0 | 0 | 112.7 | N60 L61 T67 K68 | N60-N64 VanDerWaalsContact O-CB 3.29Å; N60-N64 WeakPolarHBondContact O-CB 3.44Å; N60-N64 VanDerWaalsContact O-CG 3.31Å; N60-N64 PolarHBondContact O-N 3.21Å; L61-N64 PolarHBondContact O-N 3.17Å; N64-T67 WeakPolarHBondContact CA-OG1 3.42Å; N64-T67 PolarHBondContact O-OG1 3.42Å; N64-K68 PolarHBondContact O-N 3.4Å |
| 65 | T | 58.8 | Low | 60.8 | Low | 79 Ų | 79 | 123.6 Ų | 123.6 | 49% | 0.485 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -72.2 | -32.7 | 167.8 | 43.2 | 0 | 0 | 0 | 0 | 112.3 | L61 L62 | L61-T65 PolarHBondContact O-N 3.46Å; L61-T65 PolarHBondContact O-OG1 3.09Å; L62-T65 VanDerWaalsContact C-OG1 3.26Å; L62-T65 WeakPolarHBondContact CA-OG1 3.3Å; L62-T65 PolarHBondContact O-N 3.48Å; L62-T65 PolarHBondContact O-OG1 3.45Å |
| 66 | A | 51.4 | Low | 60.6 | Low | 69 Ų | 69 | 124.5 Ų | 124.5 | 57% | 0.57 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72.3 | -31.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L62 Q63 | L62-A66 WeakPolarHBondContact O-CB 3.43Å; L62-A66 PolarHBondContact O-N 2.75Å; Q63-A66 PolarHBondContact O-N 3.49Å |
| 67 | T | 48.8 | Very low | 60.5 | Low | 102 Ų | 102 | 118.5 Ų | 118.5 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -84.2 | -9.9 | 178.2 | 45.2 | 0 | 0 | 0 | 0 | 114 | Q63 N64 | Q63-T67 PolarHBondContact O-N 2.01Å; Q63-T67 PolarHBondContact O-OG1 2.9Å; N64-T67 WeakPolarHBondContact CA-OG1 3.42Å; N64-T67 PolarHBondContact O-OG1 3.42Å |
| 68 | K | 47.2 | Very low | 60.5 | Low | 190 Ų | 190 | 110.8 Ų | 110.8 | 83% | 0.826 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 4.5 | 176 | -131.1 | 177.7 | -174.9 | -178.5 | 0 | 114.7 | N64 | N64-K68 PolarHBondContact O-N 3.4Š|
| 69 | Q | 47 | Very low | 60.9 | Low | 151 Ų | 151 | 111 Ų | 111 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | trans | -117.7 | 59.8 | 172.5 | -69.4 | -171.7 | 26.6 | 0 | 0 | 111.6 | ||||
| 70 | T | 45.9 | Very low | 61.3 | Low | 139 Ų | 139 | 113.8 Ų | 113.8 | 85% | 0.853 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -107.9 | 75.3 | 152.1 | 47.6 | 0 | 0 | 0 | 0 | 107.6 | ||
| 71 | G | 49.8 | Very low | 61.7 | Low | 68 Ų | 68 | 110.9 Ų | 110.9 | 70% | 0.701 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 153.6 | 61.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 72 | K | 39.8 | Very low | 62.1 | Low | 198 Ų | 198 | 111.1 Ų | 111.1 | 86% | 0.861 | 61% | 0.613 | S | S | * | * | trans | 172.1 | 124.8 | 142 | -102.6 | 171.2 | 175.8 | 178.3 | 0 | 109.5 | N74 | K72-N74 PolarHBondContact O-N 2.99Š| ||
| 73 | A | 50 | Low | 62.7 | Low | 104 Ų | 104 | 109.2 Ų | 109.2 | 86% | 0.86 | 61% | 0.606 | S | S | * | * | trans | -61.9 | 117.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 74 | N | 50.6 | Low | 63.4 | Low | 146 Ų | 146 | 105.1 Ų | 105.1 | 78% | 0.781 | 59% | 0.589 | S | S | * | * | trans | -136.4 | 135.4 | 162.5 | -100.9 | -10.7 | 0 | 0 | 0 | 108.3 | K72 D76 | K72-N74 PolarHBondContact O-N 2.99Å; N74-D76 PolarHBondContact O-N 3.16Å | ||
| 75 | N | 65.9 | Low | 64.7 | Low | 141 Ų | 141 | 103.6 Ų | 103.6 | 75% | 0.754 | 59% | 0.592 | S | S | * | * | trans | -61.1 | 97.6 | -168.2 | -79.5 | -29.1 | 0 | 0 | 0 | 113.9 | T77 | N75-T77 PolarHBondContact O-N 3.18Š| ||
| 76 | D | 69.7 | Low | 66 | Low | 120 Ų | 120 | 103.1 Ų | 103.1 | 64% | 0.642 | 59% | 0.586 | S | S | * | * | trans | -79.2 | 41.7 | 166.2 | -70.7 | -29.2 | 0 | 0 | 0 | 112.6 | N74 | N74-D76 PolarHBondContact O-N 3.16Š| ||
| 77 | T | 78.9 | Confident | 67.5 | Low | 53 Ų | 53 | 100.5 Ų | 100.5 | 33% | 0.325 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -131.2 | 138.8 | -176.9 | 58.4 | 0 | 0 | 0 | 0 | 111.2 | N75 Q94 T95 | N75-T77 PolarHBondContact O-N 3.18Å; T77-Q94 CarbonylContact C-O 3.47Å; T77-Q94 VanDerWaalsContact CA-O 3.28Å; T77-Q94 WeakPolarHBondContact CA-O 3.47Å; T77-Q94 HydrophobicContact CG2-CB 4.25Å; T77-T95 HydrophobicContact CG2-CG2 4.33Å |
| 78 | C | 79.6 | Confident | 69.1 | Low | 1 Ų | 1 | 102.3 Ų | 102.3 | 1% | 0.007 | 56% | 0.559 | C | S | . | * | trans | -54.5 | 150.7 | 169.2 | -75.1 | 0 | 0 | 0 | 0 | 111.4 | Q94 C118 W124 | C78-Q94 PolarHBondContact N-O 2.98Å; C78-Q94 PolarHBondContact O-OE1 3.49Å; C78-C118 HydrophobicContact CB-CB 3.86Å; C78-C118 WeakPolarHBondContact CB-SG 3.49Å; C78-C118 WeakPolarHBondContact SG-CA 3.38Å; C78-C118 WeakPolarHBondContact SG-CB 3.36Å; C78-C118 CovalentContact SG-SG 2.01Å; C78-C118 PolarHBondContact SG-SG 2.68Å; C78-W124 HydrophobicContact CB-CD2 4.45Å; C78-W124 HydrophobicContact CB-CZ2 3.99Å | ||
| 79 | L | 83.4 | Confident | 70.8 | Confident | 139 Ų | 139 | 96.6 Ų | 96.6 | 73% | 0.728 | 54% | 0.535 | S | S | * | . | trans | -51 | 140.4 | 174.6 | -79.1 | 145.4 | 0 | 0 | 0 | 111.2 | L81 W124 | L79-L81 PolarHBondContact O-N 3.02Å; L79-L81 VanDerWaalsContact O-N 3.09Å; L79-W124 PolarHBondContact O-NE1 2.84Å | ||
| 80 | K | 80.8 | Confident | 72.2 | Confident | 151 Ų | 151 | 94.1 Ų | 94.1 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | trans | -62.2 | 115.8 | 176.5 | -172.8 | -179 | 176.2 | -171.3 | 0 | 109.5 | D82 | K80-D82 PolarHBondContact O-N 2.93Š| ||
| 81 | L | 80.7 | Confident | 73.1 | Confident | 17 Ų | 17 | 89.4 Ų | 89.4 | 9% | 0.089 | 50% | 0.504 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 127.8 | 172.5 | -70.3 | 179.1 | 0 | 0 | 0 | 109.8 | L79 K89 F102 R116 W124 | L79-L81 PolarHBondContact O-N 3.02Å; L79-L81 VanDerWaalsContact O-N 3.09Å; L81-K89 PolarHBondContact O-NZ 3.38Å; L81-F102 HydrophobicContact CB-CZ 4.37Å; L81-F102 HydrophobicContact CD1-CE2 4.18Å; L81-F102 HydrophobicContact CD1-CZ 3.7Å; L81-R116 HydrophobicContact CD1-CB 4.24Å; L81-R116 VanDerWaalsContact CD2-NH1 3.32Å; L81-W124 HydrophobicContact CD1-CD2 3.44Å; L81-W124 VanDerWaalsContact CD1-CD2 3.44Å; L81-W124 HydrophobicContact CD1-CE3 3.78Å; L81-W124 HydrophobicContact CD1-CG 3.77Å; L81-W124 HydrophobicContact CD1-CH2 4.32Å; L81-W124 HydrophobicContact CD1-CZ2 4Å; L81-W124 HydrophobicContact CD1-CZ3 4.21Å; L81-W124 HydrophobicContact CD2-CB 4.31Å; L81-W124 HydrophobicContact CD2-CD2 4.25Å; L81-W124 HydrophobicContact CD2-CG 3.74Å; L81-W124 HydrophobicContact CG-CD2 3.84Å; L81-W124 HydrophobicContact CG-CG 3.88Å; L81-W124 HydrophobicContact CG-CZ2 4.1Å |
| 82 | D | 81.4 | Confident | 73.6 | Confident | 128 Ų | 128 | 95.9 Ų | 95.9 | 68% | 0.684 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 148.7 | 168.5 | -64 | -41.8 | 0 | 0 | 0 | 110.2 | K80 P84 | K80-D82 PolarHBondContact O-N 2.93Å; D82-P84 WeakPolarHBondContact O-CD 3.44Å |
| 83 | T | 78.4 | Confident | 74.8 | Confident | 78 Ų | 78 | 88.3 Ų | 88.3 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 121.3 | 172.7 | 40.8 | 0 | 0 | 0 | 0 | 108.6 | K89 | T83-K89 HydrophobicContact CG2-CB 4.1Å; T83-K89 HydrophobicContact CG2-CD 3.73Å; T83-K89 HydrophobicContact CG2-CG 3.64Å |
| 84 | P | 82.8 | Confident | 75.8 | Confident | 24 Ų | 24 | 86.3 Ų | 86.3 | 16% | 0.156 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 153.6 | 169.5 | -16.9 | 21.8 | 0 | 0 | 0 | 111.4 | D82 S87 F102 Q128 P129 | D82-P84 WeakPolarHBondContact O-CD 3.44Å; P84-S87 WeakPolarHBondContact CB-OG 3.21Å; P84-S87 WeakPolarHBondContact CD-OG 3.41Å; P84-S87 WeakPolarHBondContact CG-OG 3.35Å; P84-S87 WeakPolarHBondContact O-CB 3.2Å; P84-S87 PolarHBondContact O-N 3.49Å; P84-S87 PolarHBondContact O-OG 3.49Å; P84-F102 HydrophobicContact CG-CD1 4.32Å; P84-Q128 HydrophobicContact CG-CG 4.32Å; P84-Q128 VanDerWaalsContact CG-NE2 3.32Å; P84-P129 WeakPolarHBondContact CG-O 3.44Å |
| 85 | A | 87.2 | Confident | 77.2 | Confident | 78 Ų | 78 | 82.1 Ų | 82.1 | 65% | 0.645 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 143.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S87 | A85-S87 VanDerWaalsContact C-N 3.26Å; A85-S87 PolarHBondContact O-N 3.03Å |
| 86 | N | 86.7 | Confident | 77.8 | Confident | 68 Ų | 68 | 78 Ų | 78 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 38.5 | -178 | -47.7 | -45 | 0 | 0 | 0 | 113.1 | D105 Y108 | N86-D105 WeakPolarHBondContact CA-OD2 3.42Å; N86-D105 PolarHBondContact O-N 2.9Å; N86-Y108 HydrophobicContact CB-CD1 3.95Å; N86-Y108 HydrophobicContact CB-CD2 3.84Å; N86-Y108 HydrophobicContact CB-CE1 3.95Å; N86-Y108 HydrophobicContact CB-CE2 3.81Å; N86-Y108 HydrophobicContact CB-CG 3.94Å; N86-Y108 WeakPolarHBondContact ND2-CE1 3.39Å; N86-Y108 PolarHBondContact ND2-OH 2.95Å |
| 87 | S | 82.1 | Confident | 77.9 | Confident | 15 Ų | 15 | 74.9 Ų | 74.9 | 11% | 0.105 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 153.8 | -179.9 | 84 | 0 | 0 | 0 | 0 | 112.5 | P84 A85 L103 D105 C131 | P84-S87 WeakPolarHBondContact CB-OG 3.21Å; P84-S87 WeakPolarHBondContact CD-OG 3.41Å; P84-S87 WeakPolarHBondContact CG-OG 3.35Å; P84-S87 WeakPolarHBondContact O-CB 3.2Å; P84-S87 PolarHBondContact O-N 3.49Å; P84-S87 PolarHBondContact O-OG 3.49Å; A85-S87 VanDerWaalsContact C-N 3.26Å; A85-S87 PolarHBondContact O-N 3.03Å; S87-L103 CarbonylContact C-O 3.58Å; S87-L103 WeakPolarHBondContact CA-O 3.4Å; S87-L103 WeakPolarHBondContact CB-O 3.44Å; S87-D105 PolarHBondContact N-OD2 2.83Å; S87-C131 WeakPolarHBondContact CB-SG 3.42Å |
| 88 | R | 83.9 | Confident | 77.7 | Confident | 140 Ų | 140 | 76.7 Ų | 76.7 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 147.2 | 171 | 64.2 | -172.5 | 179.9 | -134.7 | 2.3 | 110 | L103 | R88-L103 HydrophobicContact CG-CB 3.71Å; R88-L103 HydrophobicContact CG-CD1 4.15Å; R88-L103 PolarHBondContact N-O 3.18Å; R88-L103 PolarHBondContact O-N 3.39Å |
| 89 | K | 82.6 | Confident | 77.7 | Confident | 70 Ų | 70 | 80.7 Ų | 80.7 | 30% | 0.304 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 142.4 | 174.9 | 70.7 | -179.5 | -179.6 | 174.4 | 0 | 111.7 | L81 T83 V100 H101 F102 | L81-K89 PolarHBondContact O-NZ 3.38Å; T83-K89 HydrophobicContact CG2-CB 4.1Å; T83-K89 HydrophobicContact CG2-CD 3.73Å; T83-K89 HydrophobicContact CG2-CG 3.64Å; K89-V100 HydrophobicContact CB-CG1 3.91Å; K89-V100 HydrophobicContact CD-CG1 4.21Å; K89-V100 HydrophobicContact CG-CG1 4.45Å; K89-H101 CarbonylContact C-O 3.58Å; K89-H101 VanDerWaalsContact CA-O 3.23Å; K89-H101 WeakPolarHBondContact CA-O 3.13Å; K89-F102 HydrophobicContact CB-CD1 4.12Å; K89-F102 HydrophobicContact CB-CE1 4.01Å |
| 90 | L | 75.3 | Confident | 77.6 | Confident | 99 Ų | 99 | 74.3 Ų | 74.3 | 52% | 0.518 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129 | 171.4 | -62.6 | 178.6 | 0 | 0 | 0 | 109.3 | V100 H101 L103 | L90-V100 WeakPolarHBondContact O-CA 3.38Å; L90-H101 HydrophobicContact CB-CB 4.41Å; L90-H101 PolarHBondContact N-O 3.04Å; L90-H101 PolarHBondContact O-N 3.4Å; L90-L103 HydrophobicContact CD1-CD1 3.47Å; L90-L103 VanDerWaalsContact CD1-CD1 3.47Å; L90-L103 HydrophobicContact CG-CD1 3.73Å |
| 91 | G | 65.9 | Low | 77.5 | Confident | 39 Ų | 39 | 70.8 Ų | 70.8 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | trans | 115 | 126.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 92 | K | 60.7 | Low | 77.6 | Confident | 204 Ų | 204 | 70.2 Ų | 70.2 | 89% | 0.887 | 39% | 0.39 | S | S | * | . | trans | -110.8 | -20.6 | -179.1 | -67.6 | -176.6 | 179.7 | 179.9 | 0 | 113.4 | ||||
| 93 | A | 63.5 | Low | 77.4 | Confident | 39 Ų | 39 | 67.2 Ų | 67.2 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | trans | -79.4 | 135.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | H98 | A93-H98 HydrophobicContact CB-CB 4.23Å; A93-H98 WeakPolarHBondContact CB-CD2 3.48Å | ||
| 94 | Q | 71.1 | Confident | 77.6 | Confident | 62 Ų | 62 | 64.6 Ų | 64.6 | 29% | 0.29 | 36% | 0.358 | S | S | . | . | trans | -116.7 | 13.1 | -174.2 | -65.3 | 173.5 | 95.1 | 0 | 0 | 111.6 | T77 C78 C118 | T77-Q94 CarbonylContact C-O 3.47Å; T77-Q94 VanDerWaalsContact CA-O 3.28Å; T77-Q94 WeakPolarHBondContact CA-O 3.47Å; T77-Q94 HydrophobicContact CG2-CB 4.25Å; C78-Q94 PolarHBondContact N-O 2.98Å; C78-Q94 PolarHBondContact O-OE1 3.49Å; Q94-C118 PolarHBondContact O-SG 3.33Å | ||
| 95 | T | 79.6 | Confident | 77.7 | Confident | 58 Ų | 58 | 66.3 Ų | 66.3 | 36% | 0.356 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -79.9 | 148.6 | 178.8 | 42 | 0 | 0 | 0 | 0 | 110.9 | T77 G97 H98 C118 | T77-T95 HydrophobicContact CG2-CG2 4.33Å; T95-G97 PolarHBondContact O-N 2.8Å; T95-H98 WeakPolarHBondContact O-CB 3.31Å; T95-H98 PolarHBondContact O-N 2.87Å; T95-H98 VanDerWaalsContact O-N 3.1Å; T95-H98 PolarHBondContact O-ND1 3.24Å; T95-H98 PolarHBondContact OG1-CE1 3.3Å; T95-H98 PolarHBondContact OG1-ND1 3.5Å; T95-C118 VanDerWaalsContact C-SG 3.54Å |
| 96 | P | 79.9 | Confident | 77.1 | Confident | 55 Ų | 55 | 66.1 Ų | 66.1 | 36% | 0.357 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 137.6 | 175.3 | -29.3 | 36.3 | 0 | 0 | 0 | 112.8 | H98 C118 L122 | P96-H98 VanDerWaalsContact C-N 3.34Å; P96-C118 WeakPolarHBondContact CA-O 3.49Å; P96-C118 VanDerWaalsContact CA-SG 3.59Å; P96-L122 HydrophobicContact CG-CD2 4.03Å |
| 97 | G | 71.5 | Confident | 76.4 | Confident | 54 Ų | 54 | 63.1 Ų | 63.1 | 56% | 0.557 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -9.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | T95 C118 | T95-G97 PolarHBondContact O-N 2.8Å; G97-C118 PolarHBondContact N-O 3.31Å |
| 98 | H | 74.1 | Confident | 76.4 | Confident | 92 Ų | 92 | 64 Ų | 64 | 43% | 0.426 | 35% | 0.35 | S | S | . | . | trans | -82.6 | 143.7 | 174 | -75.3 | 66 | 0 | 0 | 0 | 112.3 | A93 T95 P96 M117 C118 | A93-H98 HydrophobicContact CB-CB 4.23Å; A93-H98 WeakPolarHBondContact CB-CD2 3.48Å; T95-H98 WeakPolarHBondContact O-CB 3.31Å; T95-H98 PolarHBondContact O-N 2.87Å; T95-H98 VanDerWaalsContact O-N 3.1Å; T95-H98 PolarHBondContact O-ND1 3.24Å; T95-H98 PolarHBondContact OG1-CE1 3.3Å; T95-H98 PolarHBondContact OG1-ND1 3.5Å; P96-H98 VanDerWaalsContact C-N 3.34Å; H98-M117 WeakPolarHBondContact O-CA 3.4Å; H98-C118 PolarHBondContact O-N 2.12Å | ||
| 99 | E | 79.9 | Confident | 76.4 | Confident | 84 Ų | 84 | 61 Ų | 61 | 39% | 0.393 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 139 | -179.3 | -170.5 | 170.8 | -156.4 | 0 | 0 | 110.8 | H101 S115 R116 | E99-H101 IonicContact OE1-CE1 2.65Å; E99-H101 IonicContact OE2-CE1 3.13Å; E99-H101 IonicContact OE2-NE2 2.97Å; E99-S115 WeakPolarHBondContact OE1-CB 3.23Å; E99-S115 PolarHBondContact OE1-OG 3.21Å; E99-R116 CarbonylContact C-O 3.25Å; E99-R116 WeakPolarHBondContact CA-O 3.05Å |
| 100 | V | 80.6 | Confident | 76.5 | Confident | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.03 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124 | 175 | 173.2 | 0 | 0 | 0 | 0 | 107.8 | K89 L90 F102 S115 R116 W124 | K89-V100 HydrophobicContact CB-CG1 3.91Å; K89-V100 HydrophobicContact CD-CG1 4.21Å; K89-V100 HydrophobicContact CG-CG1 4.45Å; L90-V100 WeakPolarHBondContact O-CA 3.38Å; V100-F102 HydrophobicContact CG1-CE1 4.49Å; V100-F102 HydrophobicContact CG1-CE2 4.07Å; V100-F102 HydrophobicContact CG1-CZ 3.91Å; V100-S115 CarbonylContact O-C 3.5Å; V100-S115 WeakPolarHBondContact O-CA 3.2Å; V100-R116 PolarHBondContact N-O 2.85Å; V100-R116 PolarHBondContact O-N 2.89Å; V100-W124 HydrophobicContact CB-CH2 4.17Å; V100-W124 HydrophobicContact CB-CZ3 4.14Å; V100-W124 HydrophobicContact CG2-CH2 3.42Å; V100-W124 VanDerWaalsContact CG2-CH2 3.42Å; V100-W124 HydrophobicContact CG2-CZ2 4.3Å; V100-W124 HydrophobicContact CG2-CZ3 3.86Å |
| 101 | H | 79.1 | Confident | 77.1 | Confident | 77 Ų | 77 | 58.6 Ų | 58.6 | 36% | 0.356 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 142.7 | 178 | -63.9 | -89.6 | 0 | 0 | 0 | 110.7 | K89 L90 E99 E114 S115 | K89-H101 CarbonylContact C-O 3.58Å; K89-H101 VanDerWaalsContact CA-O 3.23Å; K89-H101 WeakPolarHBondContact CA-O 3.13Å; L90-H101 HydrophobicContact CB-CB 4.41Å; L90-H101 PolarHBondContact N-O 3.04Å; L90-H101 PolarHBondContact O-N 3.4Å; E99-H101 IonicContact OE1-CE1 2.65Å; E99-H101 IonicContact OE2-CE1 3.13Å; E99-H101 IonicContact OE2-NE2 2.97Å; H101-E114 WeakPolarHBondContact CA-O 3.03Å; H101-S115 WeakPolarHBondContact ND1-CB 3.48Å |
| 102 | F | 82.7 | Confident | 78.1 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.7 | 176.9 | -64.8 | -85.9 | 0 | 0 | 0 | 110 | L81 P84 K89 V100 L110 E114 R116 Q128 P129 | L81-F102 HydrophobicContact CB-CZ 4.37Å; L81-F102 HydrophobicContact CD1-CE2 4.18Å; L81-F102 HydrophobicContact CD1-CZ 3.7Å; P84-F102 HydrophobicContact CG-CD1 4.32Å; K89-F102 HydrophobicContact CB-CD1 4.12Å; K89-F102 HydrophobicContact CB-CE1 4.01Å; V100-F102 HydrophobicContact CG1-CE1 4.49Å; V100-F102 HydrophobicContact CG1-CE2 4.07Å; V100-F102 HydrophobicContact CG1-CZ 3.91Å; F102-L110 HydrophobicContact CB-CD1 4.12Å; F102-E114 PolarHBondContact N-O 3.16Å; F102-R116 HydrophobicContact CE2-CB 4.28Å; F102-R116 HydrophobicContact CE2-CG 3.9Å; F102-Q128 VanDerWaalsContact CZ-NE2 3.33Å; F102-P129 HydrophobicContact CB-CG 3.88Å; F102-P129 HydrophobicContact CD1-CG 4.33Å; F102-P129 HydrophobicContact CD2-CG 3.65Å; F102-P129 HydrophobicContact CE2-CG 4.32Å; F102-P129 HydrophobicContact CG-CG 3.66Å |
| 103 | L | 77.3 | Confident | 78.9 | Confident | 64 Ų | 64 | 52.2 Ų | 52.2 | 34% | 0.335 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 131.7 | 177.4 | -65.7 | 154.5 | 0 | 0 | 0 | 107.2 | S87 R88 L90 | S87-L103 CarbonylContact C-O 3.58Å; S87-L103 WeakPolarHBondContact CA-O 3.4Å; S87-L103 WeakPolarHBondContact CB-O 3.44Å; R88-L103 HydrophobicContact CG-CB 3.71Å; R88-L103 HydrophobicContact CG-CD1 4.15Å; R88-L103 PolarHBondContact N-O 3.18Å; R88-L103 PolarHBondContact O-N 3.39Å; L90-L103 HydrophobicContact CD1-CD1 3.47Å; L90-L103 VanDerWaalsContact CD1-CD1 3.47Å; L90-L103 HydrophobicContact CG-CD1 3.73Å |
| 104 | C | 83.9 | Confident | 79.5 | Confident | 24 Ų | 24 | 54.9 Ų | 54.9 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 152.4 | 170.2 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | Y108 E109 L110 C131 | C104-Y108 VanDerWaalsContact CB-O 3.31Å; C104-Y108 WeakPolarHBondContact CB-O 3.48Å; C104-E109 VanDerWaalsContact SG-C 3.58Å; C104-L110 WeakPolarHBondContact SG-CA 3.13Å; C104-L110 VanDerWaalsContact SG-CD1 3.57Å; C104-L110 PolarHBondContact SG-N 3.13Å; C104-C131 WeakPolarHBondContact CA-SG 3.38Å; C104-C131 HydrophobicContact CB-CB 3.85Å; C104-C131 WeakPolarHBondContact CB-SG 3.14Å; C104-C131 VanDerWaalsContact SG-CA 3.56Å; C104-C131 WeakPolarHBondContact SG-CB 3.3Å; C104-C131 CovalentContact SG-SG 2.03Å; C104-C131 PolarHBondContact SG-SG 3.21Å |
| 105 | D | 83.6 | Confident | 80.1 | Confident | 60 Ų | 60 | 53 Ų | 53 | 32% | 0.321 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 163 | 168 | -64 | -37 | 0 | 0 | 0 | 110 | N86 S87 G107 Y108 | N86-D105 WeakPolarHBondContact CA-OD2 3.42Å; N86-D105 PolarHBondContact O-N 2.9Å; S87-D105 PolarHBondContact N-OD2 2.83Å; D105-G107 PolarHBondContact O-N 2.65Å; D105-Y108 PolarHBondContact O-N 2.86Å |
| 106 | A | 75.6 | Confident | 80.4 | Confident | 74 Ų | 74 | 51.5 Ų | 51.5 | 61% | 0.612 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 136.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 107 | G | 71.1 | Confident | 80.7 | Confident | 4 Ų | 4 | 53 Ų | 53 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D105 N133 I134 N153 | D105-G107 PolarHBondContact O-N 2.65Å; G107-N133 PolarHBondContact O-ND2 2.04Å; G107-I134 PolarHBondContact O-N 2.89Å; G107-N153 VanDerWaalsContact CA-CA 3.48Å; G107-N153 VanDerWaalsContact CA-CB 3.48Å; G107-N153 VanDerWaalsContact CA-OD1 3.31Å; G107-N153 WeakPolarHBondContact CA-OD1 3.36Å; G107-N153 PolarHBondContact N-OD1 2.77Å |
| 108 | Y | 82.1 | Confident | 81.4 | Confident | 34 Ų | 34 | 50.4 Ų | 50.4 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.2 | 177.2 | -66.4 | -98.6 | 0 | 0 | 0 | 110.8 | N86 C104 D105 C131 R132 N133 | N86-Y108 HydrophobicContact CB-CD1 3.95Å; N86-Y108 HydrophobicContact CB-CD2 3.84Å; N86-Y108 HydrophobicContact CB-CE1 3.95Å; N86-Y108 HydrophobicContact CB-CE2 3.81Å; N86-Y108 HydrophobicContact CB-CG 3.94Å; N86-Y108 WeakPolarHBondContact ND2-CE1 3.39Å; N86-Y108 PolarHBondContact ND2-OH 2.95Å; C104-Y108 VanDerWaalsContact CB-O 3.31Å; C104-Y108 WeakPolarHBondContact CB-O 3.48Å; D105-Y108 PolarHBondContact O-N 2.86Å; Y108-C131 HydrophobicContact CD1-CB 4.33Å; Y108-C131 HydrophobicContact CG-CB 4.45Å; Y108-R132 CarbonylContact C-O 3.58Å; Y108-R132 VanDerWaalsContact CA-O 3.23Å; Y108-R132 WeakPolarHBondContact CA-O 3.36Å; Y108-N133 HydrophobicContact CD1-CB 3.99Å; Y108-N133 VanDerWaalsContact CD1-N 3.31Å; Y108-N133 HydrophobicContact CE1-CB 3.66Å |
| 109 | E | 83.9 | Confident | 81.8 | Confident | 77 Ų | 77 | 50.1 Ų | 50.1 | 36% | 0.36 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 143.6 | 172.8 | 56.4 | 170.5 | -174 | 0 | 0 | 111 | C104 V111 C131 R132 I134 | C104-E109 VanDerWaalsContact SG-C 3.58Å; E109-V111 PolarHBondContact O-N 2.96Å; E109-C131 WeakPolarHBondContact O-CA 3.09Å; E109-R132 HydrophobicContact CG-CB 4.36Å; E109-R132 WeakPolarHBondContact CG-O 3.22Å; E109-R132 PolarHBondContact N-O 2.82Å; E109-R132 PolarHBondContact O-N 2.91Å; E109-R132 IonicContact OE1-CZ 3.79Å; E109-R132 IonicContact OE1-NE 2.77Å; E109-R132 PolarHBondContact OE1-NE 3.44Å; E109-R132 IonicContact OE1-NH2 2.65Å; E109-R132 PolarHBondContact OE1-NH2 3.31Å; E109-I134 HydrophobicContact CB-CD1 4.27Å; E109-I134 HydrophobicContact CB-CG1 3.83Å; E109-I134 HydrophobicContact CG-CG1 3.96Å |
| 110 | L | 84.1 | Confident | 81.9 | Confident | 57 Ų | 57 | 55 Ų | 55 | 30% | 0.298 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 119.8 | 177.9 | -168.4 | 83.1 | 0 | 0 | 0 | 110.1 | F102 C104 E114 P129 | F102-L110 HydrophobicContact CB-CD1 4.12Å; C104-L110 WeakPolarHBondContact SG-CA 3.13Å; C104-L110 VanDerWaalsContact SG-CD1 3.57Å; C104-L110 PolarHBondContact SG-N 3.13Å; L110-E114 VanDerWaalsContact CD2-CA 3.47Å; L110-E114 HydrophobicContact CD2-CB 3.98Å; L110-P129 HydrophobicContact CD1-CB 3.88Å; L110-P129 HydrophobicContact CD1-CG 4.31Å; L110-P129 HydrophobicContact CD2-CB 4.47Å; L110-P129 HydrophobicContact CG-CB 4.18Å |
| 111 | V | 88.4 | Confident | 82.1 | Confident | 61 Ų | 61 | 58.4 Ų | 58.4 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 107.1 | 173.5 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | E109 P129 T130 R132 | E109-V111 PolarHBondContact O-N 2.96Å; V111-P129 WeakPolarHBondContact O-CA 3.29Å; V111-T130 PolarHBondContact N-O 3.02Å; V111-T130 PolarHBondContact O-N 3.29Å; V111-R132 HydrophobicContact CG2-CB 3.85Å |
| 112 | G | 86.6 | Confident | 82.2 | Confident | 62 Ų | 62 | 57.9 Ų | 57.9 | 64% | 0.639 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 127.7 | -155.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 113 | A | 77.4 | Confident | 82.4 | Confident | 47 Ų | 47 | 61 Ų | 61 | 39% | 0.388 | 35% | 0.351 | S | S | . | . | trans | -80.3 | 133.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S115 P129 | A113-S115 PolarHBondContact O-N 2.52Å; A113-P129 WeakPolarHBondContact O-CB 3.39Å; A113-P129 VanDerWaalsContact O-CG 3.3Å; A113-P129 WeakPolarHBondContact O-CG 3.29Å | ||
| 114 | E | 77.6 | Confident | 82.8 | Confident | 95 Ų | 95 | 59 Ų | 59 | 44% | 0.444 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -67.7 | -17.3 | 178.7 | 68.9 | -173.6 | 153.2 | 0 | 0 | 114.3 | H101 F102 L110 S369 | H101-E114 WeakPolarHBondContact CA-O 3.03Å; F102-E114 PolarHBondContact N-O 3.16Å; L110-E114 VanDerWaalsContact CD2-CA 3.47Å; L110-E114 HydrophobicContact CD2-CB 3.98Å; E114-S369 WeakPolarHBondContact OE1-CB 3.2Å; E114-S369 PolarHBondContact OE1-OG 2.9Å |
| 115 | S | 83.4 | Confident | 83 | Confident | 23 Ų | 23 | 59.5 Ų | 59.5 | 16% | 0.161 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 157.3 | -179.6 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | E99 V100 H101 A113 | E99-S115 WeakPolarHBondContact OE1-CB 3.23Å; E99-S115 PolarHBondContact OE1-OG 3.21Å; V100-S115 CarbonylContact O-C 3.5Å; V100-S115 WeakPolarHBondContact O-CA 3.2Å; H101-S115 WeakPolarHBondContact ND1-CB 3.48Å; A113-S115 PolarHBondContact O-N 2.52Å |
| 116 | R | 84.8 | Confident | 83.1 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 10% | 0.098 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 141.5 | 172.2 | -59.8 | -176 | 72.3 | -169.3 | 2.2 | 109 | L81 E99 V100 F102 W124 S125 G126 | L81-R116 HydrophobicContact CD1-CB 4.24Å; L81-R116 VanDerWaalsContact CD2-NH1 3.32Å; E99-R116 CarbonylContact C-O 3.25Å; E99-R116 WeakPolarHBondContact CA-O 3.05Å; V100-R116 PolarHBondContact N-O 2.85Å; V100-R116 PolarHBondContact O-N 2.89Å; F102-R116 HydrophobicContact CE2-CB 4.28Å; F102-R116 HydrophobicContact CE2-CG 3.9Å; R116-W124 HydrophobicContact CB-CB 4.49Å; R116-W124 HydrophobicContact CB-CE3 3.75Å; R116-W124 HydrophobicContact CB-CZ3 4.44Å; R116-W124 VanDerWaalsContact CZ-CB 3.48Å; R116-W124 VanDerWaalsContact NH2-CB 3.29Å; R116-W124 PolarHBondContact NH2-O 3.33Å; R116-W124 WeakPolarHBondContact O-CZ3 3.05Å; R116-S125 PolarHBondContact NE-O 2.64Å; R116-G126 PolarHBondContact NH2-O 3.13Å |
| 117 | M | 86.8 | Confident | 83.7 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 42% | 0.424 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.8 | 178.4 | -175.2 | -177.2 | -63.4 | 0 | 0 | 110.3 | H98 Q119 S125 | H98-M117 WeakPolarHBondContact O-CA 3.4Å; M117-Q119 PolarHBondContact O-N 3.27Å; M117-S125 PolarHBondContact N-OG 3.22Å; M117-S125 PolarHBondContact O-N 2.88Å |
| 118 | C | 85.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.007 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -73.7 | 118.1 | 172.1 | 175.8 | 0 | 0 | 0 | 0 | 109.2 | C78 Q94 T95 P96 G97 H98 W124 | C78-C118 HydrophobicContact CB-CB 3.86Å; C78-C118 WeakPolarHBondContact CB-SG 3.49Å; C78-C118 WeakPolarHBondContact SG-CA 3.38Å; C78-C118 WeakPolarHBondContact SG-CB 3.36Å; C78-C118 CovalentContact SG-SG 2.01Å; C78-C118 PolarHBondContact SG-SG 2.68Å; Q94-C118 PolarHBondContact O-SG 3.33Å; T95-C118 VanDerWaalsContact C-SG 3.54Å; P96-C118 WeakPolarHBondContact CA-O 3.49Å; P96-C118 VanDerWaalsContact CA-SG 3.59Å; G97-C118 PolarHBondContact N-O 3.31Å; H98-C118 PolarHBondContact O-N 2.12Å; C118-W124 HydrophobicContact CB-CD2 4.5Å; C118-W124 HydrophobicContact CB-CE3 4.22Å; C118-W124 HydrophobicContact CB-CH2 3.96Å; C118-W124 HydrophobicContact CB-CZ2 4.28Å; C118-W124 HydrophobicContact CB-CZ3 3.93Å; C118-W124 VanDerWaalsContact N-CZ3 3.31Å |
| 119 | Q | 83.6 | Confident | 84.5 | Confident | 86 Ų | 86 | 65.8 Ų | 65.8 | 40% | 0.402 | 38% | 0.375 | S | S | . | . | trans | -87.3 | 162.9 | -177.6 | -59.6 | 179 | -59.6 | 0 | 0 | 111.3 | M117 S121 L122 T123 | M117-Q119 PolarHBondContact O-N 3.27Å; Q119-S121 WeakPolarHBondContact CB-OG 3.12Å; Q119-S121 PolarHBondContact O-N 3.38Å; Q119-S121 VanDerWaalsContact O-N 3.16Å; Q119-L122 PolarHBondContact O-N 3.28Å; Q119-T123 VanDerWaalsContact CB-O 3.3Å; Q119-T123 WeakPolarHBondContact CB-O 3.4Å; Q119-T123 WeakPolarHBondContact CG-O 3.31Å; Q119-T123 PolarHBondContact N-O 3.39Å; Q119-T123 PolarHBondContact OE1-OG1 3.25Å | ||
| 120 | E | 81.6 | Confident | 84.9 | Confident | 186 Ų | 186 | 66 Ų | 66 | 87% | 0.869 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -22.5 | 174 | -63 | -177.5 | 174.4 | 0 | 0 | 112.7 | L122 | E120-L122 PolarHBondContact O-N 3.18Š|
| 121 | S | 84.3 | Confident | 85.1 | Confident | 77 Ų | 77 | 64.1 Ų | 64.1 | 54% | 0.538 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 4.3 | 171.5 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | Q119 T123 | Q119-S121 WeakPolarHBondContact CB-OG 3.12Å; Q119-S121 PolarHBondContact O-N 3.38Å; Q119-S121 VanDerWaalsContact O-N 3.16Å; S121-T123 PolarHBondContact O-N 3.5Å; S121-T123 PolarHBondContact OG-OG1 3.15Å |
| 122 | L | 81.9 | Confident | 85.2 | Confident | 66 Ų | 66 | 68.5 Ų | 68.5 | 35% | 0.346 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 59.8 | 22.3 | -175.3 | -55.3 | 175.5 | 0 | 0 | 0 | 114 | P96 Q119 E120 | P96-L122 HydrophobicContact CG-CD2 4.03Å; Q119-L122 PolarHBondContact O-N 3.28Å; E120-L122 PolarHBondContact O-N 3.18Å |
| 123 | T | 85.7 | Confident | 85 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 43% | 0.429 | 37% | 0.365 | S | S | . | . | trans | -112.7 | 152.1 | 175 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | Q119 S121 | Q119-T123 VanDerWaalsContact CB-O 3.3Å; Q119-T123 WeakPolarHBondContact CB-O 3.4Å; Q119-T123 WeakPolarHBondContact CG-O 3.31Å; Q119-T123 PolarHBondContact N-O 3.39Å; Q119-T123 PolarHBondContact OE1-OG1 3.25Å; S121-T123 PolarHBondContact O-N 3.5Å; S121-T123 PolarHBondContact OG-OG1 3.15Å | ||
| 124 | W | 87.1 | Confident | 85.3 | Confident | 22 Ų | 22 | 68.5 Ų | 68.5 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -85.3 | 139.1 | 175.3 | -71.6 | 97.8 | 0 | 0 | 0 | 111.6 | C78 L79 L81 V100 R116 C118 | C78-W124 HydrophobicContact CB-CD2 4.45Å; C78-W124 HydrophobicContact CB-CZ2 3.99Å; L79-W124 PolarHBondContact O-NE1 2.84Å; L81-W124 HydrophobicContact CD1-CD2 3.44Å; L81-W124 VanDerWaalsContact CD1-CD2 3.44Å; L81-W124 HydrophobicContact CD1-CE3 3.78Å; L81-W124 HydrophobicContact CD1-CG 3.77Å; L81-W124 HydrophobicContact CD1-CH2 4.32Å; L81-W124 HydrophobicContact CD1-CZ2 4Å; L81-W124 HydrophobicContact CD1-CZ3 4.21Å; L81-W124 HydrophobicContact CD2-CB 4.31Å; L81-W124 HydrophobicContact CD2-CD2 4.25Å; L81-W124 HydrophobicContact CD2-CG 3.74Å; L81-W124 HydrophobicContact CG-CD2 3.84Å; L81-W124 HydrophobicContact CG-CG 3.88Å; L81-W124 HydrophobicContact CG-CZ2 4.1Å; V100-W124 HydrophobicContact CB-CH2 4.17Å; V100-W124 HydrophobicContact CB-CZ3 4.14Å; V100-W124 HydrophobicContact CG2-CH2 3.42Å; V100-W124 VanDerWaalsContact CG2-CH2 3.42Å; V100-W124 HydrophobicContact CG2-CZ2 4.3Å; V100-W124 HydrophobicContact CG2-CZ3 3.86Å; R116-W124 HydrophobicContact CB-CB 4.49Å; R116-W124 HydrophobicContact CB-CE3 3.75Å; R116-W124 HydrophobicContact CB-CZ3 4.44Å; R116-W124 VanDerWaalsContact CZ-CB 3.48Å; R116-W124 VanDerWaalsContact NH2-CB 3.29Å; R116-W124 PolarHBondContact NH2-O 3.33Å; R116-W124 WeakPolarHBondContact O-CZ3 3.05Å; C118-W124 HydrophobicContact CB-CD2 4.5Å; C118-W124 HydrophobicContact CB-CE3 4.22Å; C118-W124 HydrophobicContact CB-CH2 3.96Å; C118-W124 HydrophobicContact CB-CZ2 4.28Å; C118-W124 HydrophobicContact CB-CZ3 3.93Å; C118-W124 VanDerWaalsContact N-CZ3 3.31Å |
| 125 | S | 88.1 | Confident | 85.5 | Confident | 35 Ų | 35 | 68.2 Ų | 68.2 | 25% | 0.245 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -60.3 | 140.2 | 175.4 | 65.3 | 0 | 0 | 0 | 0 | 112.1 | R116 M117 | R116-S125 PolarHBondContact NE-O 2.64Å; M117-S125 PolarHBondContact N-OG 3.22Å; M117-S125 PolarHBondContact O-N 2.88Å |
| 126 | G | 85.8 | Confident | 85.6 | Confident | 63 Ų | 63 | 68.8 Ų | 68.8 | 65% | 0.649 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 65.1 | -166.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R116 | R116-G126 PolarHBondContact NH2-O 3.13Š|
| 127 | Q | 86.8 | Confident | 85.7 | Confident | 175 Ų | 175 | 68.6 Ų | 68.6 | 82% | 0.818 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -96.2 | 157.3 | 176.5 | -68 | -177.8 | -21.1 | 0 | 0 | 111.2 | ||
| 128 | Q | 84.9 | Confident | 85.7 | Confident | 64 Ų | 64 | 68.3 Ų | 68.3 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 123.8 | 177 | -174.7 | 61.4 | 32.6 | 0 | 0 | 109.7 | P84 F102 | P84-Q128 HydrophobicContact CG-CG 4.32Å; P84-Q128 VanDerWaalsContact CG-NE2 3.32Å; F102-Q128 VanDerWaalsContact CZ-NE2 3.33Å |
| 129 | P | 86.1 | Confident | 85.4 | Confident | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.013 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 154 | 175.7 | 31 | -37.9 | 0 | 0 | 0 | 111.2 | P84 F102 L110 V111 A113 | P84-P129 WeakPolarHBondContact CG-O 3.44Å; F102-P129 HydrophobicContact CB-CG 3.88Å; F102-P129 HydrophobicContact CD1-CG 4.33Å; F102-P129 HydrophobicContact CD2-CG 3.65Å; F102-P129 HydrophobicContact CE2-CG 4.32Å; F102-P129 HydrophobicContact CG-CG 3.66Å; L110-P129 HydrophobicContact CD1-CB 3.88Å; L110-P129 HydrophobicContact CD1-CG 4.31Å; L110-P129 HydrophobicContact CD2-CB 4.47Å; L110-P129 HydrophobicContact CG-CB 4.18Å; V111-P129 WeakPolarHBondContact O-CA 3.29Å; A113-P129 WeakPolarHBondContact O-CB 3.39Å; A113-P129 VanDerWaalsContact O-CG 3.3Å; A113-P129 WeakPolarHBondContact O-CG 3.29Å |
| 130 | T | 92.8 | Very high | 85.6 | Confident | 81 Ų | 81 | 73.2 Ų | 73.2 | 50% | 0.497 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147 | 177.7 | 54.8 | 0 | 0 | 0 | 0 | 110.5 | V111 | V111-T130 PolarHBondContact N-O 3.02Å; V111-T130 PolarHBondContact O-N 3.29Å |
| 131 | C | 88 | Confident | 85.8 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 13% | 0.128 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 118.2 | 173.3 | -68.4 | 0 | 0 | 0 | 0 | 109.5 | S87 C104 Y108 E109 | S87-C131 WeakPolarHBondContact CB-SG 3.42Å; C104-C131 WeakPolarHBondContact CA-SG 3.38Å; C104-C131 HydrophobicContact CB-CB 3.85Å; C104-C131 WeakPolarHBondContact CB-SG 3.14Å; C104-C131 VanDerWaalsContact SG-CA 3.56Å; C104-C131 WeakPolarHBondContact SG-CB 3.3Å; C104-C131 CovalentContact SG-SG 2.03Å; C104-C131 PolarHBondContact SG-SG 3.21Å; Y108-C131 HydrophobicContact CD1-CB 4.33Å; Y108-C131 HydrophobicContact CG-CB 4.45Å; E109-C131 WeakPolarHBondContact O-CA 3.09Å |
| 132 | R | 89.6 | Confident | 86.1 | Confident | 152 Ų | 152 | 62.6 Ų | 62.6 | 57% | 0.574 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 137 | 176.2 | -175.8 | 175.7 | 65 | -175.6 | 1.3 | 108.6 | Y108 E109 V111 I134 | Y108-R132 CarbonylContact C-O 3.58Å; Y108-R132 VanDerWaalsContact CA-O 3.23Å; Y108-R132 WeakPolarHBondContact CA-O 3.36Å; E109-R132 HydrophobicContact CG-CB 4.36Å; E109-R132 WeakPolarHBondContact CG-O 3.22Å; E109-R132 PolarHBondContact N-O 2.82Å; E109-R132 PolarHBondContact O-N 2.91Å; E109-R132 IonicContact OE1-CZ 3.79Å; E109-R132 IonicContact OE1-NE 2.77Å; E109-R132 PolarHBondContact OE1-NE 3.44Å; E109-R132 IonicContact OE1-NH2 2.65Å; E109-R132 PolarHBondContact OE1-NH2 3.31Å; V111-R132 HydrophobicContact CG2-CB 3.85Å; R132-I134 PolarHBondContact O-N 2.96Å |
| 133 | N | 82.9 | Confident | 86.3 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 134.7 | 174.6 | 167.9 | -114.6 | 0 | 0 | 0 | 109.1 | G107 Y108 N135 D150 | G107-N133 PolarHBondContact O-ND2 2.04Å; Y108-N133 HydrophobicContact CD1-CB 3.99Å; Y108-N133 VanDerWaalsContact CD1-N 3.31Å; Y108-N133 HydrophobicContact CE1-CB 3.66Å; N133-N135 PolarHBondContact O-N 3.34Å; N133-D150 PolarHBondContact OD1-OD2 2.77Å |
| 134 | I | 83.3 | Confident | 86.4 | Confident | 62 Ų | 62 | 63.8 Ų | 63.8 | 32% | 0.318 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 125.9 | 176.9 | -64 | 170.1 | 0 | 0 | 0 | 106.2 | G107 E109 R132 E136 | G107-I134 PolarHBondContact O-N 2.89Å; E109-I134 HydrophobicContact CB-CD1 4.27Å; E109-I134 HydrophobicContact CB-CG1 3.83Å; E109-I134 HydrophobicContact CG-CG1 3.96Å; R132-I134 PolarHBondContact O-N 2.96Å; I134-E136 HydrophobicContact CG2-CG 4.28Å; I134-E136 VanDerWaalsContact O-CD 3.26Å; I134-E136 PolarHBondContact O-N 2.86Å |
| 135 | N | 82.8 | Confident | 86.3 | Confident | 88 Ų | 88 | 65.6 Ų | 65.6 | 47% | 0.471 | 40% | 0.396 | S | S | . | . | trans | -85.1 | 95.6 | 174.6 | -180 | -19.7 | 0 | 0 | 0 | 108.6 | N133 C137 A138 D150 | N133-N135 PolarHBondContact O-N 3.34Å; N135-C137 PolarHBondContact O-N 3.34Å; N135-C137 VanDerWaalsContact OD1-CA 3.32Å; N135-C137 WeakPolarHBondContact OD1-CA 3.46Å; N135-C137 VanDerWaalsContact OD1-CB 3.26Å; N135-C137 WeakPolarHBondContact OD1-CB 3.47Å; N135-C137 PolarHBondContact OD1-N 3.06Å; N135-A138 HydrophobicContact CB-CB 4.47Å; N135-A138 WeakPolarHBondContact O-CB 3.31Å; N135-A138 PolarHBondContact O-N 3.04Å; N135-A138 PolarHBondContact OD1-N 3.16Å; N135-D150 WeakPolarHBondContact CA-OD1 3.21Å | ||
| 136 | E | 84.5 | Confident | 86.4 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 16% | 0.164 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -70.4 | -18.1 | 179.4 | -69.5 | 91.5 | -171.2 | 0 | 0 | 112.3 | I134 A138 S139 D150 F155 | I134-E136 HydrophobicContact CG2-CG 4.28Å; I134-E136 VanDerWaalsContact O-CD 3.26Å; I134-E136 PolarHBondContact O-N 2.86Å; E136-A138 VanDerWaalsContact C-N 3.31Å; E136-A138 PolarHBondContact O-N 2.05Å; E136-S139 PolarHBondContact O-OG 3.04Å; E136-D150 PolarHBondContact N-OD1 3.19Å; E136-F155 HydrophobicContact CB-CB 3.89Å; E136-F155 HydrophobicContact CB-CD1 3.95Å; E136-F155 HydrophobicContact CB-CG 4.34Å |
| 137 | C | 87.6 | Confident | 86.7 | Confident | 23 Ų | 23 | 65.9 Ų | 65.9 | 16% | 0.155 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -75.6 | -13.1 | 173.9 | -69.1 | 0 | 0 | 0 | 0 | 114.4 | N135 S139 S140 C148 D150 | N135-C137 PolarHBondContact O-N 3.34Å; N135-C137 VanDerWaalsContact OD1-CA 3.32Å; N135-C137 WeakPolarHBondContact OD1-CA 3.46Å; N135-C137 VanDerWaalsContact OD1-CB 3.26Å; N135-C137 WeakPolarHBondContact OD1-CB 3.47Å; N135-C137 PolarHBondContact OD1-N 3.06Å; C137-S139 PolarHBondContact O-N 3.14Å; C137-S139 VanDerWaalsContact O-N 3.15Å; C137-S140 PolarHBondContact O-N 3.25Å; C137-C148 WeakPolarHBondContact CA-SG 3.35Å; C137-C148 HydrophobicContact CB-CB 3.73Å; C137-C148 WeakPolarHBondContact CB-SG 3.17Å; C137-C148 WeakPolarHBondContact SG-CB 3.49Å; C137-C148 CovalentContact SG-SG 2.03Å; C137-C148 PolarHBondContact SG-SG 3.25Å; C137-D150 PolarHBondContact SG-N 2.94Å; C137-D150 VanDerWaalsContact SG-N 3.42Å |
| 138 | A | 86.1 | Confident | 87 | Confident | 79 Ų | 79 | 59.2 Ų | 59.2 | 65% | 0.653 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -62.1 | -22.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N135 E136 S140 | N135-A138 HydrophobicContact CB-CB 4.47Å; N135-A138 WeakPolarHBondContact O-CB 3.31Å; N135-A138 PolarHBondContact O-N 3.04Å; N135-A138 PolarHBondContact OD1-N 3.16Å; E136-A138 VanDerWaalsContact C-N 3.31Å; E136-A138 PolarHBondContact O-N 2.05Å; A138-S140 VanDerWaalsContact C-N 3.3Å |
| 139 | S | 81 | Confident | 87.3 | Confident | 96 Ų | 96 | 59.1 Ų | 59.1 | 67% | 0.671 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -86.3 | 5.3 | 174.4 | 55.8 | 0 | 0 | 0 | 0 | 114.1 | E136 C137 | E136-S139 PolarHBondContact O-OG 3.04Å; C137-S139 PolarHBondContact O-N 3.14Å; C137-S139 VanDerWaalsContact O-N 3.15Å |
| 140 | S | 86.4 | Confident | 87.2 | Confident | 95 Ų | 95 | 61.8 Ų | 61.8 | 66% | 0.664 | 38% | 0.376 | S | S | * | . | trans | 48.9 | 58.5 | -175.4 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | C137 A138 C142 | C137-S140 PolarHBondContact O-N 3.25Å; A138-S140 VanDerWaalsContact C-N 3.3Å; S140-C142 VanDerWaalsContact C-N 3.33Å; S140-C142 PolarHBondContact O-N 2.83Å | ||
| 141 | P | 85.7 | Confident | 86.7 | Confident | 21 Ų | 21 | 61.6 Ų | 61.6 | 14% | 0.136 | 37% | 0.37 | C | S | . | . | trans | -73 | -20.8 | -171.8 | 30.3 | -36.1 | 0 | 0 | 0 | 114.2 | C148 F155 T167 | P141-C148 VanDerWaalsContact CG-SG 3.6Å; P141-F155 HydrophobicContact CB-CD2 4.06Å; P141-F155 HydrophobicContact CB-CE1 4.12Å; P141-F155 HydrophobicContact CB-CE2 3.57Å; P141-F155 HydrophobicContact CB-CZ 3.6Å; P141-F155 HydrophobicContact CG-CD1 4.22Å; P141-F155 HydrophobicContact CG-CD2 3.53Å; P141-F155 HydrophobicContact CG-CE1 4.27Å; P141-F155 HydrophobicContact CG-CE2 3.59Å; P141-F155 HydrophobicContact CG-CG 3.87Å; P141-F155 HydrophobicContact CG-CZ 3.97Å; P141-T167 VanDerWaalsContact O-CB 3.26Å; P141-T167 WeakPolarHBondContact O-CB 3.36Å; P141-T167 WeakPolarHBondContact O-CG2 3.49Å | ||
| 142 | C | 90.9 | Very high | 86.3 | Confident | 19 Ų | 19 | 67.3 Ų | 67.3 | 13% | 0.128 | 40% | 0.396 | C | S | . | . | trans | -82.1 | 126.4 | -179.6 | -50.4 | 0 | 0 | 0 | 0 | 112 | S140 G146 C148 C157 | S140-C142 VanDerWaalsContact C-N 3.33Å; S140-C142 PolarHBondContact O-N 2.83Å; C142-G146 WeakPolarHBondContact CB-O 3.21Å; C142-C148 HydrophobicContact CB-CB 4.4Å; C142-C148 WeakPolarHBondContact SG-CA 3.41Å; C142-C148 WeakPolarHBondContact SG-CB 3.03Å; C142-C157 WeakPolarHBondContact CA-SG 3.48Å; C142-C157 HydrophobicContact CB-CB 3.84Å; C142-C157 WeakPolarHBondContact CB-SG 3.05Å; C142-C157 WeakPolarHBondContact SG-CA 3.19Å; C142-C157 WeakPolarHBondContact SG-CB 3.27Å; C142-C157 CovalentContact SG-SG 2.02Å; C142-C157 PolarHBondContact SG-SG 3.3Å | ||
| 143 | L | 86.6 | Confident | 85.3 | Confident | 87 Ų | 87 | 64.4 Ų | 64.4 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | trans | -95.7 | 170.4 | -178.3 | -55.4 | 179.3 | 0 | 0 | 0 | 111.5 | G145 G146 T167 C168 Q169 | L143-G145 VanDerWaalsContact C-N 3.26Å; L143-G145 PolarHBondContact O-N 3.41Å; L143-G145 VanDerWaalsContact O-N 3.15Å; L143-G146 PolarHBondContact O-N 2.86Å; L143-T167 WeakPolarHBondContact CB-O 3.27Å; L143-T167 PolarHBondContact N-O 2.96Å; L143-C168 WeakPolarHBondContact O-CB 3.44Å; L143-Q169 HydrophobicContact CD1-CB 4.03Å | ||
| 144 | N | 87.8 | Confident | 85 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 40% | 0.396 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 36.4 | 171.5 | -56.8 | -53.2 | 0 | 0 | 0 | 115 | G146 T160 W163 C168 | N144-G146 PolarHBondContact O-N 2.85Å; N144-T160 PolarHBondContact O-OG1 3.32Å; N144-W163 HydrophobicContact CB-CD2 3.59Å; N144-W163 HydrophobicContact CB-CE3 3.88Å; N144-W163 HydrophobicContact CB-CG 3.94Å; N144-W163 HydrophobicContact CB-CH2 4.39Å; N144-W163 HydrophobicContact CB-CZ2 4.13Å; N144-W163 HydrophobicContact CB-CZ3 4.28Å; N144-W163 WeakPolarHBondContact ND2-CZ3 3.41Å; N144-C168 PolarHBondContact ND2-O 3.37Å |
| 145 | G | 85.1 | Confident | 85.1 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 62% | 0.619 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 13.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L143 T160 | L143-G145 VanDerWaalsContact C-N 3.26Å; L143-G145 PolarHBondContact O-N 3.41Å; L143-G145 VanDerWaalsContact O-N 3.15Å; G145-T160 WeakPolarHBondContact O-CG2 3.38Å |
| 146 | G | 89.2 | Confident | 85.4 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 14% | 0.144 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 143 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | C142 L143 N144 T158 | C142-G146 WeakPolarHBondContact CB-O 3.21Å; L143-G146 PolarHBondContact O-N 2.86Å; N144-G146 PolarHBondContact O-N 2.85Å; G146-T158 WeakPolarHBondContact CA-O 3.3Å |
| 147 | T | 93 | Very high | 85.7 | Confident | 89 Ų | 89 | 65 Ų | 65 | 55% | 0.546 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 126.1 | 176.1 | -55.2 | 0 | 0 | 0 | 0 | 109.5 | T158 | T147-T158 WeakPolarHBondContact CB-OG1 3.22Å; T147-T158 PolarHBondContact N-O 3.35Å; T147-T158 PolarHBondContact O-N 2.03Å; T147-T158 PolarHBondContact O-OG1 2.87Å |
| 148 | C | 92.6 | Very high | 85.8 | Confident | 36 Ų | 36 | 67.4 Ų | 67.4 | 24% | 0.243 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 131.2 | 177.2 | -165.4 | 0 | 0 | 0 | 0 | 110.6 | C137 P141 C142 | C137-C148 WeakPolarHBondContact CA-SG 3.35Å; C137-C148 HydrophobicContact CB-CB 3.73Å; C137-C148 WeakPolarHBondContact CB-SG 3.17Å; C137-C148 WeakPolarHBondContact SG-CB 3.49Å; C137-C148 CovalentContact SG-SG 2.03Å; C137-C148 PolarHBondContact SG-SG 3.25Å; P141-C148 VanDerWaalsContact CG-SG 3.6Å; C142-C148 HydrophobicContact CB-CB 4.4Å; C142-C148 WeakPolarHBondContact SG-CA 3.41Å; C142-C148 WeakPolarHBondContact SG-CB 3.03Å |
| 149 | V | 90.8 | Very high | 85.9 | Confident | 61 Ų | 61 | 65.8 Ų | 65.8 | 37% | 0.37 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 120.9 | 173.5 | -175 | 0 | 0 | 0 | 0 | 107.6 | F155 S156 T158 | V149-F155 WeakPolarHBondContact O-CA 3.22Å; V149-S156 PolarHBondContact N-O 2.88Å; V149-S156 PolarHBondContact O-N 3.28Å; V149-T158 HydrophobicContact CG2-CG2 4.15Å |
| 150 | D | 84.6 | Confident | 86.1 | Confident | 59 Ų | 59 | 63.8 Ų | 63.8 | 32% | 0.316 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 126.7 | 177.5 | -162.7 | 45.4 | 0 | 0 | 0 | 109.2 | N133 N135 E136 C137 | N133-D150 PolarHBondContact OD1-OD2 2.77Å; N135-D150 WeakPolarHBondContact CA-OD1 3.21Å; E136-D150 PolarHBondContact N-OD1 3.19Å; C137-D150 PolarHBondContact SG-N 2.94Å; C137-D150 VanDerWaalsContact SG-N 3.42Å |
| 151 | E | 83.1 | Confident | 85.8 | Confident | 76 Ų | 76 | 69.6 Ų | 69.6 | 36% | 0.355 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 178.1 | 177.8 | -57.8 | -174.3 | 170.8 | 0 | 0 | 110.2 | N153 Q154 S156 | E151-N153 PolarHBondContact O-N 2.78Å; E151-Q154 CarbonylContact C-O 3.57Å; E151-Q154 VanDerWaalsContact C-O 3.25Å; E151-Q154 VanDerWaalsContact CA-O 3.28Å; E151-Q154 WeakPolarHBondContact CA-O 3.12Å; E151-Q154 HydrophobicContact CB-CG 3.99Å; E151-Q154 VanDerWaalsContact CB-O 3.27Å; E151-Q154 WeakPolarHBondContact CB-O 3.19Å; E151-Q154 PolarHBondContact N-O 2.77Å; E151-Q154 VanDerWaalsContact O-O 3.1Å; E151-Q154 PolarHBondContact OE2-NE2 3.44Å; E151-S156 VanDerWaalsContact OE1-CB 3.27Å; E151-S156 WeakPolarHBondContact OE1-CB 3.42Å |
| 152 | M | 78.1 | Confident | 85.3 | Confident | 140 Ų | 140 | 70 Ų | 70 | 69% | 0.69 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | 114 | 178.6 | -67.9 | -176.5 | -173.2 | 0 | 0 | 110.4 | Q154 | M152-Q154 PolarHBondContact O-N 3.47Š|
| 153 | N | 68.9 | Low | 84.9 | Confident | 91 Ų | 91 | 73.3 Ų | 73.3 | 49% | 0.487 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 13.9 | 176.6 | -168.6 | 59.7 | 0 | 0 | 0 | 114.6 | G107 E151 | G107-N153 VanDerWaalsContact CA-CA 3.48Å; G107-N153 VanDerWaalsContact CA-CB 3.48Å; G107-N153 VanDerWaalsContact CA-OD1 3.31Å; G107-N153 WeakPolarHBondContact CA-OD1 3.36Å; G107-N153 PolarHBondContact N-OD1 2.77Å; E151-N153 PolarHBondContact O-N 2.78Å |
| 154 | Q | 77.9 | Confident | 84.5 | Confident | 114 Ų | 114 | 70.9 Ų | 70.9 | 53% | 0.533 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 162.8 | 179.8 | 64.8 | -176.3 | 34.1 | 0 | 0 | 109.5 | E151 M152 | E151-Q154 CarbonylContact C-O 3.57Å; E151-Q154 VanDerWaalsContact C-O 3.25Å; E151-Q154 VanDerWaalsContact CA-O 3.28Å; E151-Q154 WeakPolarHBondContact CA-O 3.12Å; E151-Q154 HydrophobicContact CB-CG 3.99Å; E151-Q154 VanDerWaalsContact CB-O 3.27Å; E151-Q154 WeakPolarHBondContact CB-O 3.19Å; E151-Q154 PolarHBondContact N-O 2.77Å; E151-Q154 VanDerWaalsContact O-O 3.1Å; E151-Q154 PolarHBondContact OE2-NE2 3.44Å; M152-Q154 PolarHBondContact O-N 3.47Å |
| 155 | F | 84.3 | Confident | 84 | Confident | 67 Ų | 67 | 69.2 Ų | 69.2 | 29% | 0.294 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 156.1 | 168.5 | 66.9 | -83.1 | 0 | 0 | 0 | 110.3 | E136 P141 V149 T167 | E136-F155 HydrophobicContact CB-CB 3.89Å; E136-F155 HydrophobicContact CB-CD1 3.95Å; E136-F155 HydrophobicContact CB-CG 4.34Å; P141-F155 HydrophobicContact CB-CD2 4.06Å; P141-F155 HydrophobicContact CB-CE1 4.12Å; P141-F155 HydrophobicContact CB-CE2 3.57Å; P141-F155 HydrophobicContact CB-CZ 3.6Å; P141-F155 HydrophobicContact CG-CD1 4.22Å; P141-F155 HydrophobicContact CG-CD2 3.53Å; P141-F155 HydrophobicContact CG-CE1 4.27Å; P141-F155 HydrophobicContact CG-CE2 3.59Å; P141-F155 HydrophobicContact CG-CG 3.87Å; P141-F155 HydrophobicContact CG-CZ 3.97Å; V149-F155 WeakPolarHBondContact O-CA 3.22Å; F155-T167 HydrophobicContact CE2-CG2 3.87Å; F155-T167 HydrophobicContact CZ-CG2 3.83Å |
| 156 | S | 89.3 | Confident | 83.7 | Confident | 46 Ų | 46 | 69.5 Ų | 69.5 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 131.3 | 173.9 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | V149 E151 | V149-S156 PolarHBondContact N-O 2.88Å; V149-S156 PolarHBondContact O-N 3.28Å; E151-S156 VanDerWaalsContact OE1-CB 3.27Å; E151-S156 WeakPolarHBondContact OE1-CB 3.42Å |
| 157 | C | 90.4 | Very high | 83.7 | Confident | 17 Ų | 17 | 70.5 Ų | 70.5 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.6 | 176.5 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | C142 C159 A166 C168 | C142-C157 WeakPolarHBondContact CA-SG 3.48Å; C142-C157 HydrophobicContact CB-CB 3.84Å; C142-C157 WeakPolarHBondContact CB-SG 3.05Å; C142-C157 WeakPolarHBondContact SG-CA 3.19Å; C142-C157 WeakPolarHBondContact SG-CB 3.27Å; C142-C157 CovalentContact SG-SG 2.02Å; C142-C157 PolarHBondContact SG-SG 3.3Å; C157-C159 PolarHBondContact O-N 2.91Å; C157-A166 WeakPolarHBondContact CB-O 3.33Å; C157-A166 PolarHBondContact SG-O 3.31Å; C157-A166 VanDerWaalsContact SG-O 3.34Å; C157-C168 VanDerWaalsContact CB-SG 3.54Å |
| 158 | T | 90.5 | Very high | 83.5 | Confident | 75 Ų | 75 | 66.2 Ų | 66.2 | 46% | 0.46 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 107.2 | 167.3 | 59.5 | 0 | 0 | 0 | 0 | 108.8 | G146 T147 V149 | G146-T158 WeakPolarHBondContact CA-O 3.3Å; T147-T158 WeakPolarHBondContact CB-OG1 3.22Å; T147-T158 PolarHBondContact N-O 3.35Å; T147-T158 PolarHBondContact O-N 2.03Å; T147-T158 PolarHBondContact O-OG1 2.87Å; V149-T158 HydrophobicContact CG2-CG2 4.15Å |
| 159 | C | 87.7 | Confident | 83.2 | Confident | 44 Ų | 44 | 68.6 Ų | 68.6 | 30% | 0.297 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -79 | 145.6 | -173.9 | -55 | 0 | 0 | 0 | 0 | 113.2 | C157 W163 C168 | C157-C159 PolarHBondContact O-N 2.91Å; C159-W163 HydrophobicContact CB-CB 4.25Å; C159-W163 WeakPolarHBondContact CB-O 3.45Å; C159-C168 WeakPolarHBondContact CA-SG 3.49Å; C159-C168 HydrophobicContact CB-CB 3.76Å; C159-C168 WeakPolarHBondContact CB-SG 3.31Å; C159-C168 WeakPolarHBondContact SG-CA 3.3Å; C159-C168 WeakPolarHBondContact SG-CB 3.26Å; C159-C168 CovalentContact SG-SG 2.04Å; C159-C168 PolarHBondContact SG-SG 2.55Å |
| 160 | T | 84.9 | Confident | 82.4 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 34% | 0.337 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 155.3 | 171.5 | 50.9 | 0 | 0 | 0 | 0 | 110.3 | N144 G145 G162 W163 | N144-T160 PolarHBondContact O-OG1 3.32Å; G145-T160 WeakPolarHBondContact O-CG2 3.38Å; T160-G162 PolarHBondContact O-N 3.47Å; T160-W163 PolarHBondContact O-N 3.23Å |
| 161 | K | 80.1 | Confident | 81.7 | Confident | 216 Ų | 216 | 66.5 Ų | 66.5 | 94% | 0.939 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 127.4 | -178.3 | -174.9 | 179.2 | 179.7 | 179.8 | 0 | 110.3 | ||
| 162 | G | 75.1 | Confident | 81.1 | Confident | 29 Ų | 29 | 65.8 Ų | 65.8 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | 4.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | T160 P171 V172 | T160-G162 PolarHBondContact O-N 3.47Å; G162-P171 CarbonylContact O-C 3.41Å; G162-P171 WeakPolarHBondContact O-CA 3.5Å; G162-V172 PolarHBondContact O-N 2.65Å |
| 163 | W | 82.3 | Confident | 79.9 | Confident | 90 Ų | 90 | 63.5 Ų | 63.5 | 34% | 0.341 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 148 | 175.2 | -62.4 | 94.1 | 0 | 0 | 0 | 112.2 | N144 C159 T160 C168 S170 P171 V172 | N144-W163 HydrophobicContact CB-CD2 3.59Å; N144-W163 HydrophobicContact CB-CE3 3.88Å; N144-W163 HydrophobicContact CB-CG 3.94Å; N144-W163 HydrophobicContact CB-CH2 4.39Å; N144-W163 HydrophobicContact CB-CZ2 4.13Å; N144-W163 HydrophobicContact CB-CZ3 4.28Å; N144-W163 WeakPolarHBondContact ND2-CZ3 3.41Å; C159-W163 HydrophobicContact CB-CB 4.25Å; C159-W163 WeakPolarHBondContact CB-O 3.45Å; T160-W163 PolarHBondContact O-N 3.23Å; W163-C168 HydrophobicContact CB-CB 4.45Å; W163-S170 CarbonylContact C-O 3.27Å; W163-S170 VanDerWaalsContact CA-O 3.26Å; W163-S170 WeakPolarHBondContact CA-O 3.48Å; W163-S170 VanDerWaalsContact CE3-C 3.48Å; W163-P171 HydrophobicContact CE3-CB 4.36Å; W163-P171 HydrophobicContact CZ3-CB 4.32Å; W163-V172 VanDerWaalsContact C-CG2 3.44Å; W163-V172 VanDerWaalsContact O-CG2 3.31Å; W163-V172 WeakPolarHBondContact O-CG2 3.45Å |
| 164 | A | 78 | Confident | 78.9 | Confident | 36 Ų | 36 | 65.4 Ų | 65.4 | 30% | 0.298 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 173.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | C168 Q169 S170 V172 | A164-C168 CarbonylContact O-C 3.57Å; A164-C168 WeakPolarHBondContact O-CA 3.33Å; A164-Q169 PolarHBondContact O-N 3.09Å; A164-S170 PolarHBondContact N-O 3.19Å; A164-S170 WeakPolarHBondContact O-CA 3.46Å; A164-S170 WeakPolarHBondContact O-CB 3.3Å; A164-S170 PolarHBondContact O-N 2.99Å; A164-S170 VanDerWaalsContact O-O 3.04Å; A164-V172 HydrophobicContact CB-CG2 3.5Å |
| 165 | G | 77.6 | Confident | 77.5 | Confident | 39 Ų | 39 | 67.5 Ų | 67.5 | 40% | 0.402 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 100 | 163.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T167 C168 | G165-T167 PolarHBondContact O-N 2.8Å; G165-T167 VanDerWaalsContact O-N 3.16Å; G165-C168 PolarHBondContact O-N 2.85Å; G165-C168 VanDerWaalsContact O-N 3.08Å |
| 166 | A | 79.9 | Confident | 75.6 | Confident | 66 Ų | 66 | 74.2 Ų | 74.2 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -27.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | C157 | C157-A166 WeakPolarHBondContact CB-O 3.33Å; C157-A166 PolarHBondContact SG-O 3.31Å; C157-A166 VanDerWaalsContact SG-O 3.34Å |
| 167 | T | 88.3 | Confident | 73 | Confident | 34 Ų | 34 | 77.4 Ų | 77.4 | 21% | 0.209 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 18.7 | 176.4 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | P141 L143 F155 G165 Q169 | P141-T167 VanDerWaalsContact O-CB 3.26Å; P141-T167 WeakPolarHBondContact O-CB 3.36Å; P141-T167 WeakPolarHBondContact O-CG2 3.49Å; L143-T167 WeakPolarHBondContact CB-O 3.27Å; L143-T167 PolarHBondContact N-O 2.96Å; F155-T167 HydrophobicContact CE2-CG2 3.87Å; F155-T167 HydrophobicContact CZ-CG2 3.83Å; G165-T167 PolarHBondContact O-N 2.8Å; G165-T167 VanDerWaalsContact O-N 3.16Å; T167-Q169 PolarHBondContact O-N 3.24Å; T167-Q169 PolarHBondContact OG1-OE1 2.57Å; T167-Q169 VanDerWaalsContact OG1-OE1 3.05Å |
| 168 | C | 89.1 | Confident | 70.4 | Confident | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 47% | 0.47 | C | S | . | . | S | Bend | trans | 57.3 | 29.6 | -174.2 | -50.2 | 0 | 0 | 0 | 0 | 114.1 | L143 N144 C157 C159 W163 A164 G165 S170 | L143-C168 WeakPolarHBondContact O-CB 3.44Å; N144-C168 PolarHBondContact ND2-O 3.37Å; C157-C168 VanDerWaalsContact CB-SG 3.54Å; C159-C168 WeakPolarHBondContact CA-SG 3.49Å; C159-C168 HydrophobicContact CB-CB 3.76Å; C159-C168 WeakPolarHBondContact CB-SG 3.31Å; C159-C168 WeakPolarHBondContact SG-CA 3.3Å; C159-C168 WeakPolarHBondContact SG-CB 3.26Å; C159-C168 CovalentContact SG-SG 2.04Å; C159-C168 PolarHBondContact SG-SG 2.55Å; W163-C168 HydrophobicContact CB-CB 4.45Å; A164-C168 CarbonylContact O-C 3.57Å; A164-C168 WeakPolarHBondContact O-CA 3.33Å; G165-C168 PolarHBondContact O-N 2.85Å; G165-C168 VanDerWaalsContact O-N 3.08Å; C168-S170 VanDerWaalsContact C-N 3.33Å |
| 169 | Q | 85.8 | Confident | 67.8 | Low | 85 Ų | 85 | 86.9 Ų | 86.9 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | trans | -75.5 | -21 | -175.8 | 70.8 | -84.7 | 32.5 | 0 | 0 | 113.6 | L143 A164 T167 | L143-Q169 HydrophobicContact CD1-CB 4.03Å; A164-Q169 PolarHBondContact O-N 3.09Å; T167-Q169 PolarHBondContact O-N 3.24Å; T167-Q169 PolarHBondContact OG1-OE1 2.57Å; T167-Q169 VanDerWaalsContact OG1-OE1 3.05Å | ||
| 170 | S | 74.6 | Confident | 65.5 | Low | 19 Ų | 19 | 89.1 Ų | 89.1 | 13% | 0.133 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 138.3 | -170.5 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | W163 A164 C168 A248 | W163-S170 CarbonylContact C-O 3.27Å; W163-S170 VanDerWaalsContact CA-O 3.26Å; W163-S170 WeakPolarHBondContact CA-O 3.48Å; W163-S170 VanDerWaalsContact CE3-C 3.48Å; A164-S170 PolarHBondContact N-O 3.19Å; A164-S170 WeakPolarHBondContact O-CA 3.46Å; A164-S170 WeakPolarHBondContact O-CB 3.3Å; A164-S170 PolarHBondContact O-N 2.99Å; A164-S170 VanDerWaalsContact O-O 3.04Å; C168-S170 VanDerWaalsContact C-N 3.33Å; S170-A248 WeakPolarHBondContact CB-O 3.34Å; S170-A248 PolarHBondContact OG-O 3.26Å |
| 171 | P | 70.6 | Confident | 63.3 | Low | 57 Ų | 57 | 94 Ų | 94 | 37% | 0.37 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 140.6 | 170.2 | 27.2 | -32.7 | 0 | 0 | 0 | 111.6 | G162 W163 P173 A248 | G162-P171 CarbonylContact O-C 3.41Å; G162-P171 WeakPolarHBondContact O-CA 3.5Å; W163-P171 HydrophobicContact CE3-CB 4.36Å; W163-P171 HydrophobicContact CZ3-CB 4.32Å; P171-P173 WeakPolarHBondContact O-CD 3.43Å; P171-A248 HydrophobicContact CG-CB 4.46Å |
| 172 | V | 69.1 | Low | 61.5 | Low | 62 Ų | 62 | 90.2 Ų | 90.2 | 38% | 0.376 | 52% | 0.518 | S | S | . | . | trans | -74.6 | 119.5 | 171.4 | 178.8 | 0 | 0 | 0 | 0 | 108 | G162 W163 A164 T174 | G162-V172 PolarHBondContact O-N 2.65Å; W163-V172 VanDerWaalsContact C-CG2 3.44Å; W163-V172 VanDerWaalsContact O-CG2 3.31Å; W163-V172 WeakPolarHBondContact O-CG2 3.45Å; A164-V172 HydrophobicContact CB-CG2 3.5Å; V172-T174 PolarHBondContact O-N 2.81Å; V172-T174 VanDerWaalsContact O-N 3.12Å | ||
| 173 | P | 52.7 | Low | 59.8 | Low | 92 Ų | 92 | 93.9 Ų | 93.9 | 60% | 0.597 | 54% | 0.539 | S | S | * | . | trans | -66.1 | 114.9 | 176.2 | 25 | -30.9 | 0 | 0 | 0 | 109.7 | P171 F175 | P171-P173 WeakPolarHBondContact O-CD 3.43Å; P173-F175 PolarHBondContact O-N 2.83Å | ||
| 174 | T | 48.9 | Very low | 58 | Low | 131 Ų | 131 | 95.4 Ų | 95.4 | 80% | 0.804 | 56% | 0.563 | S | S | * | * | trans | -76.3 | 27.2 | 177 | 24.3 | 0 | 0 | 0 | 0 | 113.7 | V172 F176 | V172-T174 PolarHBondContact O-N 2.81Å; V172-T174 VanDerWaalsContact O-N 3.12Å; T174-F176 PolarHBondContact O-N 3.12Å | ||
| 175 | F | 49.3 | Very low | 56.1 | Low | 158 Ų | 158 | 98.3 Ų | 98.3 | 69% | 0.693 | 59% | 0.587 | S | S | * | * | trans | -105.5 | 71.8 | -165.4 | -135.2 | -86.7 | 0 | 0 | 0 | 114.1 | P173 | P173-F175 PolarHBondContact O-N 2.83Š| ||
| 176 | F | 43.1 | Very low | 54.4 | Low | 208 Ų | 208 | 102.8 Ų | 102.8 | 91% | 0.912 | 61% | 0.607 | S | S | * | * | trans | -143.9 | 73 | 148.2 | -73.3 | -70.7 | 0 | 0 | 0 | 109.4 | T174 | T174-F176 PolarHBondContact O-N 3.12Š| ||
| 177 | V | 34.3 | Very low | 52.7 | Low | 113 Ų | 113 | 105.3 Ų | 105.3 | 69% | 0.685 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -106.2 | 112.4 | 144.7 | -175.6 | 0 | 0 | 0 | 0 | 105 | M179 | V177-M179 PolarHBondContact O-N 2.96Š|
| 178 | T | 37.3 | Very low | 50.7 | Low | 125 Ų | 125 | 109.3 Ų | 109.3 | 77% | 0.767 | 65% | 0.65 | S | S | * | * | trans | -38.1 | 110.1 | 166.2 | 34.2 | 0 | 0 | 0 | 0 | 110.7 | T180 | T178-T180 PolarHBondContact O-N 3.26Š| ||
| 179 | M | 35.2 | Very low | 48.2 | Very low | 166 Ų | 166 | 114.1 Ų | 114.1 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | trans | -82.8 | 95.1 | 161.9 | -72.8 | -67.2 | -107.1 | 0 | 0 | 107.2 | V177 N181 | V177-M179 PolarHBondContact O-N 2.96Å; M179-N181 PolarHBondContact O-N 3.49Å | ||
| 180 | T | 39.8 | Very low | 46.3 | Very low | 91 Ų | 91 | 115.2 Ų | 115.2 | 56% | 0.558 | 71% | 0.713 | S | S | * | * | trans | -65.6 | 107.9 | 161.9 | 46.4 | 0 | 0 | 0 | 0 | 108.1 | T178 T182 | T178-T180 PolarHBondContact O-N 3.26Å; T180-T182 PolarHBondContact O-N 3.35Å | ||
| 181 | N | 39 | Very low | 44.3 | Very low | 158 Ų | 158 | 118 Ų | 118 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | -78.4 | 100.7 | 163.5 | -102.6 | -11.7 | 0 | 0 | 0 | 108.4 | M179 S183 | M179-N181 PolarHBondContact O-N 3.49Å; N181-S183 PolarHBondContact O-N 3.26Å | ||
| 182 | T | 41.6 | Very low | 42.9 | Very low | 135 Ų | 135 | 120.6 Ų | 120.6 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | trans | -75 | 103.8 | 162.6 | 41.3 | 0 | 0 | 0 | 0 | 108.8 | T180 | T180-T182 PolarHBondContact O-N 3.35Š| ||
| 183 | S | 40.1 | Very low | 41.4 | Very low | 107 Ų | 107 | 124 Ų | 124 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -114.8 | 109.5 | 159.1 | 49.6 | 0 | 0 | 0 | 0 | 109.2 | N181 A185 | N181-S183 PolarHBondContact O-N 3.26Å; S183-A185 PolarHBondContact O-N 3.19Å | ||
| 184 | S | 44.4 | Very low | 40.9 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -61.8 | 115.8 | 165 | 49.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 185 | A | 37.3 | Very low | 40.9 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -121.8 | 99.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | S183 S187 | S183-A185 PolarHBondContact O-N 3.19Å; A185-S187 PolarHBondContact O-N 3.43Å | ||
| 186 | T | 42.9 | Very low | 40.7 | Very low | 134 Ų | 134 | 120.9 Ų | 120.9 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -65.1 | 117.4 | 158.4 | 40.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 187 | S | 42.9 | Very low | 41 | Very low | 118 Ų | 118 | 115.8 Ų | 115.8 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | 159.1 | 143.4 | 123.3 | 51.6 | 0 | 0 | 0 | 0 | 112.5 | A185 | A185-S187 PolarHBondContact O-N 3.43Š| |||
| 188 | S | 45.8 | Very low | 41.8 | Very low | 118 Ų | 118 | 113.3 Ų | 113.3 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -55.1 | 138.5 | 179.8 | 46.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 189 | A | 37 | Very low | 42.6 | Very low | 101 Ų | 101 | 113.6 Ų | 113.6 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | -175.1 | 133.2 | 120.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 190 | A | 45.9 | Very low | 43.8 | Very low | 108 Ų | 108 | 111.5 Ų | 111.5 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | -72.1 | 130.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 191 | A | 33.7 | Very low | 45.2 | Very low | 77 Ų | 77 | 108.5 Ų | 108.5 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | trans | -149.9 | 114.3 | 150 | 0 | 0 | 0 | 0 | 0 | 107.7 | I193 | A191-I193 HydrophobicContact CB-CD1 4.41Å; A191-I193 HydrophobicContact CB-CG1 4.19Å; A191-I193 PolarHBondContact O-N 2.61Å | ||
| 192 | A | 41.1 | Very low | 46.9 | Very low | 113 Ų | 113 | 105.2 Ų | 105.2 | 93% | 0.934 | 73% | 0.733 | S | S | * | * | trans | -66.5 | 87.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 193 | I | 36.3 | Very low | 48.9 | Very low | 133 Ų | 133 | 103 Ų | 103 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | trans | -94.1 | 106.3 | 166.3 | -60.9 | 172.9 | 0 | 0 | 0 | 104.7 | A191 | A191-I193 HydrophobicContact CB-CD1 4.41Å; A191-I193 HydrophobicContact CB-CG1 4.19Å; A191-I193 PolarHBondContact O-N 2.61Å | ||
| 194 | S | 42.1 | Very low | 51.1 | Low | 101 Ų | 101 | 100 Ų | 100 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | trans | -41.5 | 125 | 160.7 | 35.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 195 | P | 49.6 | Very low | 53 | Low | 110 Ų | 110 | 99.3 Ų | 99.3 | 71% | 0.714 | 67% | 0.668 | S | S | * | * | trans | -56.8 | 131.7 | -172.6 | 21.3 | -30.6 | 0 | 0 | 0 | 108.3 | A197 | P195-A197 PolarHBondContact O-N 3.34Š| ||
| 196 | P | 44.6 | Very low | 55.2 | Low | 105 Ų | 105 | 98.8 Ų | 98.8 | 68% | 0.682 | 66% | 0.656 | S | S | * | * | trans | -55.3 | 135.7 | 165.6 | 26.6 | -30.6 | 0 | 0 | 0 | 105.4 | V198 | P196-V198 VanDerWaalsContact C-N 3.28Å; P196-V198 PolarHBondContact O-N 3.32Å | ||
| 197 | A | 50.1 | Low | 57.1 | Low | 100 Ų | 100 | 93.3 Ų | 93.3 | 83% | 0.826 | 62% | 0.624 | S | S | * | * | trans | -51.3 | 100.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | P195 T199 | P195-A197 PolarHBondContact O-N 3.34Å; A197-T199 PolarHBondContact O-N 2.85Å; A197-T199 VanDerWaalsContact O-N 3.1Å | ||
| 198 | V | 51.3 | Low | 59.1 | Low | 62 Ų | 62 | 96.4 Ų | 96.4 | 38% | 0.376 | 62% | 0.617 | S | S | . | * | trans | -54.6 | 122.5 | 173.4 | 175.5 | 0 | 0 | 0 | 0 | 103.7 | P196 V200 | P196-V198 VanDerWaalsContact C-N 3.28Å; P196-V198 PolarHBondContact O-N 3.32Å; V198-V200 VanDerWaalsContact O-CG2 3.22Å; V198-V200 WeakPolarHBondContact O-CG2 3.43Å; V198-V200 PolarHBondContact O-N 3.32Å | ||
| 199 | T | 53.9 | Low | 60.8 | Low | 130 Ų | 130 | 93.5 Ų | 93.5 | 80% | 0.798 | 60% | 0.596 | S | S | * | * | trans | -59.7 | 95.3 | 175 | 14.5 | 0 | 0 | 0 | 0 | 106.8 | A197 G201 | A197-T199 PolarHBondContact O-N 2.85Å; A197-T199 VanDerWaalsContact O-N 3.1Å; T199-G201 PolarHBondContact O-N 2.79Å | ||
| 200 | V | 60 | Low | 63 | Low | 122 Ų | 122 | 92.6 Ų | 92.6 | 74% | 0.739 | 58% | 0.58 | S | S | * | * | trans | -72.1 | 83 | 179.9 | -172.2 | 0 | 0 | 0 | 0 | 106.5 | V198 | V198-V200 VanDerWaalsContact O-CG2 3.22Å; V198-V200 WeakPolarHBondContact O-CG2 3.43Å; V198-V200 PolarHBondContact O-N 3.32Å | ||
| 201 | G | 69.4 | Low | 64.5 | Low | 29 Ų | 29 | 95.3 Ų | 95.3 | 30% | 0.299 | 58% | 0.575 | S | S | . | * | trans | -78.8 | 161 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T199 F203 V204 | T199-G201 PolarHBondContact O-N 2.79Å; G201-F203 PolarHBondContact O-N 2.92Å; G201-F203 VanDerWaalsContact O-N 3.1Å; G201-V204 PolarHBondContact O-N 2.67Å; G201-V204 VanDerWaalsContact O-O 3.11Å | ||
| 202 | P | 75.2 | Confident | 66.5 | Low | 89 Ų | 89 | 95.3 Ų | 95.3 | 58% | 0.578 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -25.1 | 178.4 | 19.9 | -29.5 | 0 | 0 | 0 | 113.6 | P260 | P202-P260 HydrophobicContact CB-CG 4.16Å; P202-P260 VanDerWaalsContact O-CB 3.22Å; P202-P260 WeakPolarHBondContact O-CB 3.31Å; P202-P260 WeakPolarHBondContact O-CG 3.18Å |
| 203 | F | 83 | Confident | 67.7 | Low | 89 Ų | 89 | 99.2 Ų | 99.2 | 39% | 0.39 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.1 | 8.6 | -176.8 | -59.6 | -77.9 | 0 | 0 | 0 | 114.3 | G201 D236 P260 | G201-F203 PolarHBondContact O-N 2.92Å; G201-F203 VanDerWaalsContact O-N 3.1Å; F203-D236 HydrophobicContact CB-CB 3.82Å; F203-D236 HydrophobicContact CD1-CB 3.99Å; F203-D236 WeakPolarHBondContact CD1-OD2 3.44Å; F203-D236 HydrophobicContact CG-CB 4.43Å; F203-D236 VanDerWaalsContact O-CB 3.25Å; F203-D236 WeakPolarHBondContact O-CB 3.46Å; F203-D236 PolarHBondContact O-N 3Å; F203-P260 HydrophobicContact CE1-CG 4.47Å |
| 204 | V | 86.8 | Confident | 69.3 | Low | 42 Ų | 42 | 96.6 Ų | 96.6 | 26% | 0.255 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.4 | 129 | -178.8 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | G201 C234 T235 | G201-V204 PolarHBondContact O-N 2.67Å; G201-V204 VanDerWaalsContact O-O 3.11Å; V204-C234 WeakPolarHBondContact CA-O 3.32Å; V204-T235 HydrophobicContact CG2-CG2 4.22Å |
| 205 | R | 83.5 | Confident | 70.6 | Confident | 107 Ų | 107 | 96 Ų | 96 | 40% | 0.404 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.6 | 153.5 | -179.9 | -66.7 | -172.5 | -173.2 | -96 | -2.3 | 111.3 | Y224 C234 | R205-Y224 HydrophobicContact CB-CD1 4.46Å; R205-Y224 HydrophobicContact CB-CE1 4.37Å; R205-Y224 HydrophobicContact CG-CD1 4.4Å; R205-Y224 HydrophobicContact CG-CE1 3.84Å; R205-Y224 VanDerWaalsContact NE-CZ 3.26Å; R205-Y224 PolarHBondContact NE-OH 2.98Å; R205-C234 PolarHBondContact N-O 2.86Å; R205-C234 WeakPolarHBondContact O-CA 3.05Å; R205-C234 WeakPolarHBondContact O-CB 3.33Å; R205-C234 PolarHBondContact O-N 3.49Å |
| 206 | P | 84.1 | Confident | 71.7 | Confident | 87 Ų | 87 | 94.7 Ų | 94.7 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.9 | 143.1 | 172.1 | 29 | -33.4 | 0 | 0 | 0 | 110.7 | ||
| 207 | S | 82.4 | Confident | 73.4 | Confident | 19 Ų | 19 | 93.9 Ų | 93.9 | 13% | 0.133 | 54% | 0.54 | C | S | . | . | trans | -77.6 | 155.3 | 173.4 | 71.7 | 0 | 0 | 0 | 0 | 111.9 | C209 S231 T232 C234 | S207-C209 PolarHBondContact OG-SG 3.34Å; S207-S231 WeakPolarHBondContact CB-O 3.23Å; S207-S231 PolarHBondContact OG-O 3.49Å; S207-T232 PolarHBondContact N-O 2.96Å; S207-T232 VanDerWaalsContact OG-C 3.26Å; S207-T232 WeakPolarHBondContact OG-CA 3.45Å; S207-T232 PolarHBondContact OG-O 2.04Å; S207-C234 WeakPolarHBondContact CA-SG 3.32Å; S207-C234 WeakPolarHBondContact CB-SG 3.4Å | ||
| 208 | R | 84.7 | Confident | 74.9 | Confident | 183 Ų | 183 | 89.8 Ų | 89.8 | 69% | 0.691 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 104 | 174.3 | -60.1 | -175.2 | 102 | -145 | 6.2 | 109.1 | C218 T219 | R208-C218 WeakPolarHBondContact O-CA 3.06Å; R208-T219 PolarHBondContact N-O 2.8Å; R208-T219 PolarHBondContact O-N 3Å; R208-T219 PolarHBondContact O-OG1 3.41Å |
| 209 | C | 82.9 | Confident | 76.3 | Confident | 56 Ų | 56 | 89.9 Ų | 89.9 | 38% | 0.378 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 137 | -178.1 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | S207 T216 H217 C218 | S207-C209 PolarHBondContact OG-SG 3.34Å; C209-T216 HydrophobicContact CB-CG2 4.09Å; C209-H217 CarbonylContact C-O 3.56Å; C209-H217 WeakPolarHBondContact CA-O 3.47Å; C209-C218 HydrophobicContact CB-CB 4.11Å; C209-C218 WeakPolarHBondContact CB-SG 3.05Å; C209-C218 WeakPolarHBondContact SG-CB 3.26Å; C209-C218 CovalentContact SG-SG 2.03Å; C209-C218 PolarHBondContact SG-SG 2.79Å |
| 210 | T | 81.9 | Confident | 77.7 | Confident | 82 Ų | 82 | 85.2 Ų | 85.2 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 142.1 | 172.5 | 56.2 | 0 | 0 | 0 | 0 | 109.6 | H217 | T210-H217 PolarHBondContact N-O 2.85Å; T210-H217 PolarHBondContact O-N 3.02Å |
| 211 | Q | 78.4 | Confident | 78.8 | Confident | 166 Ų | 166 | 83 Ų | 83 | 78% | 0.776 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 122.1 | 172.5 | -80.7 | -169.2 | -1.7 | 0 | 0 | 109.7 | ||
| 212 | V | 75 | Confident | 79.4 | Confident | 76 Ų | 76 | 87.3 Ų | 87.3 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 117.4 | 175.6 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | G214 T215 | V212-G214 VanDerWaalsContact C-N 3.3Å; V212-G214 PolarHBondContact O-N 3.23Å; V212-G214 VanDerWaalsContact O-N 3.17Å; V212-T215 PolarHBondContact N-O 3.47Å; V212-T215 PolarHBondContact O-N 3.42Å; V212-T215 PolarHBondContact O-OG1 3.21Å |
| 213 | Q | 67.1 | Low | 79.5 | Confident | 195 Ų | 195 | 84 Ų | 84 | 91% | 0.911 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 40.1 | 174.5 | -61.2 | -178.4 | -13.7 | 0 | 0 | 114.9 | T215 | Q213-T215 VanDerWaalsContact C-N 3.31Å; Q213-T215 PolarHBondContact O-N 2.93Å |
| 214 | G | 69.4 | Low | 79.5 | Confident | 79 Ų | 79 | 80.6 Ų | 80.6 | 81% | 0.814 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 5.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V212 | V212-G214 VanDerWaalsContact C-N 3.3Å; V212-G214 PolarHBondContact O-N 3.23Å; V212-G214 VanDerWaalsContact O-N 3.17Å |
| 215 | T | 68.9 | Low | 79.4 | Confident | 88 Ų | 88 | 82 Ų | 82 | 54% | 0.54 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.1 | 172.7 | 66.1 | 0 | 0 | 0 | 0 | 110.8 | V212 Q213 | V212-T215 PolarHBondContact N-O 3.47Å; V212-T215 PolarHBondContact O-N 3.42Å; V212-T215 PolarHBondContact O-OG1 3.21Å; Q213-T215 VanDerWaalsContact C-N 3.31Å; Q213-T215 PolarHBondContact O-N 2.93Å |
| 216 | T | 73.9 | Confident | 79.4 | Confident | 83 Ų | 83 | 80 Ų | 80 | 51% | 0.509 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 112.6 | 177.7 | -53.9 | 0 | 0 | 0 | 0 | 109 | C209 | C209-T216 HydrophobicContact CB-CG2 4.09Å |
| 217 | H | 79 | Confident | 78.6 | Confident | 87 Ų | 87 | 77.5 Ų | 77.5 | 40% | 0.403 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 113.8 | 176.9 | -175.7 | -90.5 | 0 | 0 | 0 | 110 | C209 T210 T219 | C209-H217 CarbonylContact C-O 3.56Å; C209-H217 WeakPolarHBondContact CA-O 3.47Å; T210-H217 PolarHBondContact N-O 2.85Å; T210-H217 PolarHBondContact O-N 3.02Å; H217-T219 WeakPolarHBondContact CE1-CG2 3.48Å |
| 218 | C | 82.3 | Confident | 77.8 | Confident | 14 Ų | 14 | 80 Ų | 80 | 10% | 0.095 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.9 | 179 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | R208 C209 S231 | R208-C218 WeakPolarHBondContact O-CA 3.06Å; C209-C218 HydrophobicContact CB-CB 4.11Å; C209-C218 WeakPolarHBondContact CB-SG 3.05Å; C209-C218 WeakPolarHBondContact SG-CB 3.26Å; C209-C218 CovalentContact SG-SG 2.03Å; C209-C218 PolarHBondContact SG-SG 2.79Å; C218-S231 WeakPolarHBondContact CB-O 3.47Å; C218-S231 VanDerWaalsContact SG-CB 3.54Å; C218-S231 PolarHBondContact SG-O 2.72Å |
| 219 | T | 81.4 | Confident | 76.4 | Confident | 65 Ų | 65 | 83.2 Ų | 83.2 | 40% | 0.399 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 151.2 | 175 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | R208 H217 | R208-T219 PolarHBondContact N-O 2.8Å; R208-T219 PolarHBondContact O-N 3Å; R208-T219 PolarHBondContact O-OG1 3.41Å; H217-T219 WeakPolarHBondContact CE1-CG2 3.48Å |
| 220 | C | 83.1 | Confident | 75.5 | Confident | 32 Ų | 32 | 85.7 Ų | 85.7 | 22% | 0.216 | 49% | 0.492 | C | S | . | . | trans | -104.1 | 156.6 | 171.6 | -64.8 | 0 | 0 | 0 | 0 | 110.2 | I226 C234 | C220-I226 VanDerWaalsContact SG-CG1 3.5Å; C220-C234 WeakPolarHBondContact CA-SG 3.41Å; C220-C234 HydrophobicContact CB-CB 3.79Å; C220-C234 WeakPolarHBondContact CB-SG 3.34Å; C220-C234 WeakPolarHBondContact SG-CB 3.38Å; C220-C234 CovalentContact SG-SG 2.03Å; C220-C234 PolarHBondContact SG-SG 3.08Å | ||
| 221 | D | 83.2 | Confident | 74.9 | Confident | 75 Ų | 75 | 84.2 Ų | 84.2 | 40% | 0.401 | 49% | 0.485 | S | S | . | . | trans | -62.7 | 155.4 | 168.9 | -68 | -26.6 | 0 | 0 | 0 | 110.2 | G223 Y224 | D221-G223 PolarHBondContact O-N 2.95Å; D221-Y224 HydrophobicContact CB-CD2 4.26Å; D221-Y224 WeakPolarHBondContact O-CB 3.43Å; D221-Y224 PolarHBondContact O-N 3.45Å; D221-Y224 VanDerWaalsContact O-N 3.11Å | ||
| 222 | P | 81.3 | Confident | 74.7 | Confident | 119 Ų | 119 | 80.4 Ų | 80.4 | 77% | 0.773 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 137.8 | 175.3 | -25.1 | 34.6 | 0 | 0 | 0 | 111.9 | ||
| 223 | G | 76.3 | Confident | 75.1 | Confident | 19 Ų | 19 | 78.3 Ų | 78.3 | 20% | 0.196 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D221 I237 | D221-G223 PolarHBondContact O-N 2.95Å; G223-I237 WeakPolarHBondContact O-CB 3.4Å; G223-I237 WeakPolarHBondContact O-CG1 3.31Å; G223-I237 PolarHBondContact O-N 2.81Å |
| 224 | Y | 84.8 | Confident | 76 | Confident | 18 Ų | 18 | 69 Ų | 69 | 7% | 0.071 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 151.2 | 176.5 | -67.4 | -99.5 | 0 | 0 | 0 | 111.9 | R205 D221 C234 T235 D236 P260 G261 | R205-Y224 HydrophobicContact CB-CD1 4.46Å; R205-Y224 HydrophobicContact CB-CE1 4.37Å; R205-Y224 HydrophobicContact CG-CD1 4.4Å; R205-Y224 HydrophobicContact CG-CE1 3.84Å; R205-Y224 VanDerWaalsContact NE-CZ 3.26Å; R205-Y224 PolarHBondContact NE-OH 2.98Å; D221-Y224 HydrophobicContact CB-CD2 4.26Å; D221-Y224 WeakPolarHBondContact O-CB 3.43Å; D221-Y224 PolarHBondContact O-N 3.45Å; D221-Y224 VanDerWaalsContact O-N 3.11Å; Y224-C234 HydrophobicContact CD1-CB 4.41Å; Y224-T235 CarbonylContact C-O 3.57Å; Y224-T235 WeakPolarHBondContact CA-O 3.11Å; Y224-D236 VanDerWaalsContact CD1-CA 3.44Å; Y224-D236 HydrophobicContact CD1-CB 4.07Å; Y224-D236 VanDerWaalsContact CD1-N 3.28Å; Y224-D236 HydrophobicContact CE1-CB 3.73Å; Y224-P260 WeakPolarHBondContact OH-CA 3.11Å; Y224-P260 WeakPolarHBondContact OH-CB 3.25Å; Y224-G261 PolarHBondContact OH-N 3.2Å |
| 225 | T | 84 | Confident | 76.8 | Confident | 73 Ų | 73 | 67.7 Ų | 67.7 | 45% | 0.448 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 152.4 | 177.4 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | S227 C234 T235 I237 | T225-S227 PolarHBondContact O-N 3.45Å; T225-C234 CarbonylContact O-C 3.51Å; T225-C234 WeakPolarHBondContact O-CA 3.33Å; T225-T235 PolarHBondContact N-O 3.38Å; T225-T235 PolarHBondContact O-N 3.34Å; T225-T235 PolarHBondContact O-OG1 2.81Å; T225-I237 HydrophobicContact CG2-CG1 3.96Å |
| 226 | I | 82.9 | Confident | 77.7 | Confident | 65 Ų | 65 | 64.4 Ų | 64.4 | 33% | 0.333 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 126.7 | 179 | -62.2 | 174 | 0 | 0 | 0 | 109.2 | C220 G228 D230 | C220-I226 VanDerWaalsContact SG-CG1 3.5Å; I226-G228 PolarHBondContact O-N 2.86Å; I226-D230 VanDerWaalsContact CG2-O 3.27Å; I226-D230 WeakPolarHBondContact CG2-O 3.38Å |
| 227 | S | 68.4 | Low | 78.2 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 23% | 0.231 | 36% | 0.359 | C | S | . | . | trans | -82.6 | 102.3 | -177 | -45.9 | 0 | 0 | 0 | 0 | 111.6 | T225 T233 T235 | T225-S227 PolarHBondContact O-N 3.45Å; S227-T233 PolarHBondContact N-O 3.3Å; S227-T233 VanDerWaalsContact N-O 3.13Å; S227-T235 VanDerWaalsContact OG-CB 3.23Å; S227-T235 WeakPolarHBondContact OG-CB 3.47Å; S227-T235 WeakPolarHBondContact OG-CG2 3.44Å; S227-T235 PolarHBondContact OG-N 2.85Å; S227-T235 PolarHBondContact OG-OG1 2.03Å | ||
| 228 | G | 64.4 | Low | 78.5 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 73% | 0.732 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | -147 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I226 D230 | I226-G228 PolarHBondContact O-N 2.86Å; G228-D230 VanDerWaalsContact C-N 3.25Å; G228-D230 PolarHBondContact O-N 3.04Å |
| 229 | R | 56.7 | Low | 78.7 | Confident | 251 Ų | 251 | 61 Ų | 61 | 95% | 0.947 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.4 | -171.2 | -152.4 | -177.1 | -80.7 | -147.9 | -0.6 | 113.3 | ||
| 230 | D | 62.9 | Low | 78.8 | Confident | 108 Ų | 108 | 58.4 Ų | 58.4 | 58% | 0.578 | 34% | 0.337 | S | S | * | . | trans | -97 | 123.2 | -177.3 | -63.1 | -30.8 | 0 | 0 | 0 | 110.1 | I226 G228 T232 | I226-D230 VanDerWaalsContact CG2-O 3.27Å; I226-D230 WeakPolarHBondContact CG2-O 3.38Å; G228-D230 VanDerWaalsContact C-N 3.25Å; G228-D230 PolarHBondContact O-N 3.04Å; D230-T232 VanDerWaalsContact C-N 3.26Å; D230-T232 PolarHBondContact O-N 2.99Å | ||
| 231 | S | 69.1 | Low | 78.8 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 36% | 0.357 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 1.9 | -175.6 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | S207 C218 | S207-S231 WeakPolarHBondContact CB-O 3.23Å; S207-S231 PolarHBondContact OG-O 3.49Å; C218-S231 WeakPolarHBondContact CB-O 3.47Å; C218-S231 VanDerWaalsContact SG-CB 3.54Å; C218-S231 PolarHBondContact SG-O 2.72Å |
| 232 | T | 74.6 | Confident | 78.5 | Confident | 86 Ų | 86 | 65.9 Ų | 65.9 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -13 | -169.2 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | S207 D230 | S207-T232 PolarHBondContact N-O 2.96Å; S207-T232 VanDerWaalsContact OG-C 3.26Å; S207-T232 WeakPolarHBondContact OG-CA 3.45Å; S207-T232 PolarHBondContact OG-O 2.04Å; D230-T232 VanDerWaalsContact C-N 3.26Å; D230-T232 PolarHBondContact O-N 2.99Å |
| 233 | T | 84.2 | Confident | 78.1 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 135 | -175.4 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | S227 | S227-T233 PolarHBondContact N-O 3.3Å; S227-T233 VanDerWaalsContact N-O 3.13Å |
| 234 | C | 85.8 | Confident | 77.6 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.007 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.1 | 175.8 | -64.6 | 0 | 0 | 0 | 0 | 108.8 | V204 R205 S207 C220 Y224 T225 | V204-C234 WeakPolarHBondContact CA-O 3.32Å; R205-C234 PolarHBondContact N-O 2.86Å; R205-C234 WeakPolarHBondContact O-CA 3.05Å; R205-C234 WeakPolarHBondContact O-CB 3.33Å; R205-C234 PolarHBondContact O-N 3.49Å; S207-C234 WeakPolarHBondContact CA-SG 3.32Å; S207-C234 WeakPolarHBondContact CB-SG 3.4Å; C220-C234 WeakPolarHBondContact CA-SG 3.41Å; C220-C234 HydrophobicContact CB-CB 3.79Å; C220-C234 WeakPolarHBondContact CB-SG 3.34Å; C220-C234 WeakPolarHBondContact SG-CB 3.38Å; C220-C234 CovalentContact SG-SG 2.03Å; C220-C234 PolarHBondContact SG-SG 3.08Å; Y224-C234 HydrophobicContact CD1-CB 4.41Å; T225-C234 CarbonylContact O-C 3.51Å; T225-C234 WeakPolarHBondContact O-CA 3.33Å |
| 235 | T | 85.7 | Confident | 76.2 | Confident | 50 Ų | 50 | 76 Ų | 76 | 31% | 0.307 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 139.9 | 169.5 | 39.6 | 0 | 0 | 0 | 0 | 110.2 | V204 Y224 T225 S227 | V204-T235 HydrophobicContact CG2-CG2 4.22Å; Y224-T235 CarbonylContact C-O 3.57Å; Y224-T235 WeakPolarHBondContact CA-O 3.11Å; T225-T235 PolarHBondContact N-O 3.38Å; T225-T235 PolarHBondContact O-N 3.34Å; T225-T235 PolarHBondContact O-OG1 2.81Å; S227-T235 VanDerWaalsContact OG-CB 3.23Å; S227-T235 WeakPolarHBondContact OG-CB 3.47Å; S227-T235 WeakPolarHBondContact OG-CG2 3.44Å; S227-T235 PolarHBondContact OG-N 2.85Å; S227-T235 PolarHBondContact OG-OG1 2.03Å |
| 236 | D | 86.9 | Confident | 74.4 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 10% | 0.102 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 139.9 | 171.8 | -172.3 | 72.5 | 0 | 0 | 0 | 111.1 | F203 Y224 D238 N258 G261 | F203-D236 HydrophobicContact CB-CB 3.82Å; F203-D236 HydrophobicContact CD1-CB 3.99Å; F203-D236 WeakPolarHBondContact CD1-OD2 3.44Å; F203-D236 HydrophobicContact CG-CB 4.43Å; F203-D236 VanDerWaalsContact O-CB 3.25Å; F203-D236 WeakPolarHBondContact O-CB 3.46Å; F203-D236 PolarHBondContact O-N 3Å; Y224-D236 VanDerWaalsContact CD1-CA 3.44Å; Y224-D236 HydrophobicContact CD1-CB 4.07Å; Y224-D236 VanDerWaalsContact CD1-N 3.28Å; Y224-D236 HydrophobicContact CE1-CB 3.73Å; D236-D238 PolarHBondContact O-N 2.82Å; D236-N258 PolarHBondContact OD2-ND2 2.76Å; D236-N258 PolarHBondContact OD2-OD1 3Å; D236-G261 WeakPolarHBondContact OD1-CA 3.44Å; D236-G261 PolarHBondContact OD1-N 2.79Å |
| 237 | I | 84.9 | Confident | 72.6 | Confident | 43 Ų | 43 | 81.3 Ų | 81.3 | 22% | 0.221 | 43% | 0.432 | C | S | . | . | trans | -86.2 | 109.5 | 173.4 | -62.9 | 172.4 | 0 | 0 | 0 | 106.7 | G223 T225 E239 L242 | G223-I237 WeakPolarHBondContact O-CB 3.4Å; G223-I237 WeakPolarHBondContact O-CG1 3.31Å; G223-I237 PolarHBondContact O-N 2.81Å; T225-I237 HydrophobicContact CG2-CG1 3.96Å; I237-E239 HydrophobicContact CG2-CG 4.36Å; I237-E239 PolarHBondContact O-N 2.78Å; I237-L242 HydrophobicContact CG2-CD1 3.29Å; I237-L242 HydrophobicContact CG2-CG 4.41Å | ||
| 238 | D | 84.8 | Confident | 71.6 | Confident | 46 Ų | 46 | 81.4 Ų | 81.4 | 25% | 0.246 | 44% | 0.435 | C | S | . | . | trans | -73 | 92.8 | 174 | -163.6 | -45.5 | 0 | 0 | 0 | 110.1 | D236 C240 E241 L242 N258 | D236-D238 PolarHBondContact O-N 2.82Å; D238-C240 PolarHBondContact O-N 2.78Å; D238-C240 WeakPolarHBondContact OD1-CA 3.23Å; D238-C240 WeakPolarHBondContact OD1-CB 3.23Å; D238-C240 PolarHBondContact OD1-N 3.33Å; D238-E241 HydrophobicContact CB-CB 4.18Å; D238-E241 HydrophobicContact CB-CG 4.25Å; D238-E241 PolarHBondContact O-N 2.62Å; D238-E241 PolarHBondContact OD1-N 3Å; D238-L242 WeakPolarHBondContact O-CG 3.29Å; D238-L242 PolarHBondContact O-N 2.64Å; D238-L242 VanDerWaalsContact O-N 3.07Å; D238-N258 VanDerWaalsContact CG-ND2 3.29Å; D238-N258 WeakPolarHBondContact OD2-CB 3.44Å; D238-N258 PolarHBondContact OD2-ND2 3.27Å | ||
| 239 | E | 86.2 | Confident | 71.2 | Confident | 25 Ų | 25 | 79.7 Ų | 79.7 | 12% | 0.117 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.6 | -25.2 | 179 | -56.5 | 93.3 | 168.6 | 0 | 0 | 111.7 | I237 F243 L251 G262 Y263 | I237-E239 HydrophobicContact CG2-CG 4.36Å; I237-E239 PolarHBondContact O-N 2.78Å; E239-F243 HydrophobicContact CB-CD2 4.12Å; E239-F243 HydrophobicContact CB-CE2 4.35Å; E239-F243 WeakPolarHBondContact O-CB 3.31Å; E239-F243 VanDerWaalsContact O-CD2 3.24Å; E239-F243 WeakPolarHBondContact O-CD2 3.26Å; E239-F243 PolarHBondContact O-N 2.86Å; E239-L251 HydrophobicContact CB-CD2 3.83Å; E239-G262 WeakPolarHBondContact OE1-CA 3.4Å; E239-G262 WeakPolarHBondContact OE2-CA 3.43Å; E239-Y263 HydrophobicContact CB-CD1 3.69Å; E239-Y263 HydrophobicContact CB-CE1 4.37Å; E239-Y263 HydrophobicContact CB-CG 4.24Å; E239-Y263 HydrophobicContact CG-CD1 3.94Å; E239-Y263 PolarHBondContact OE2-N 3.49Å |
| 240 | C | 84.1 | Confident | 71.7 | Confident | 10 Ų | 10 | 75.6 Ų | 75.6 | 7% | 0.068 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.7 | -47.5 | 175.7 | -58.3 | 0 | 0 | 0 | 0 | 110.1 | D238 H244 C256 V257 N258 | D238-C240 PolarHBondContact O-N 2.78Å; D238-C240 WeakPolarHBondContact OD1-CA 3.23Å; D238-C240 WeakPolarHBondContact OD1-CB 3.23Å; D238-C240 PolarHBondContact OD1-N 3.33Å; C240-H244 WeakPolarHBondContact O-CA 3.47Å; C240-H244 WeakPolarHBondContact O-CB 3.28Å; C240-H244 PolarHBondContact O-CD2 2.92Å; C240-H244 PolarHBondContact O-N 2.85Å; C240-C256 WeakPolarHBondContact CA-SG 3.38Å; C240-C256 HydrophobicContact CB-CB 3.7Å; C240-C256 WeakPolarHBondContact CB-SG 3.31Å; C240-C256 WeakPolarHBondContact SG-CB 3.43Å; C240-C256 CovalentContact SG-SG 2.04Å; C240-C256 PolarHBondContact SG-SG 2.81Å; C240-V257 VanDerWaalsContact SG-C 3.5Å; C240-V257 PolarHBondContact SG-N 2.77Å; C240-N258 PolarHBondContact SG-N 3.21Å |
| 241 | E | 83.8 | Confident | 72.3 | Confident | 151 Ų | 151 | 71.2 Ų | 71.2 | 71% | 0.706 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -65.6 | -41.5 | 176.2 | -70.4 | -166.8 | 164.2 | 0 | 0 | 112.6 | D238 F243 H244 | D238-E241 HydrophobicContact CB-CB 4.18Å; D238-E241 HydrophobicContact CB-CG 4.25Å; D238-E241 PolarHBondContact O-N 2.62Å; D238-E241 PolarHBondContact OD1-N 3Å; E241-F243 VanDerWaalsContact C-N 3.34Å; E241-F243 PolarHBondContact O-N 2.66Å; E241-H244 PolarHBondContact O-N 3.35Å |
| 242 | L | 77.6 | Confident | 72.8 | Confident | 113 Ų | 113 | 69 Ų | 69 | 59% | 0.592 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.9 | -39.5 | -179.5 | -73.3 | -179.2 | 0 | 0 | 0 | 113.2 | I237 D238 | I237-L242 HydrophobicContact CG2-CD1 3.29Å; I237-L242 HydrophobicContact CG2-CG 4.41Å; D238-L242 WeakPolarHBondContact O-CG 3.29Å; D238-L242 PolarHBondContact O-N 2.64Å; D238-L242 VanDerWaalsContact O-N 3.07Å |
| 243 | F | 72.6 | Confident | 73.1 | Confident | 68 Ų | 68 | 67.3 Ų | 67.3 | 30% | 0.298 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -103 | 1.9 | -176.1 | -65.3 | -77.1 | 0 | 0 | 0 | 113.6 | E239 E241 M245 L251 | E239-F243 HydrophobicContact CB-CD2 4.12Å; E239-F243 HydrophobicContact CB-CE2 4.35Å; E239-F243 WeakPolarHBondContact O-CB 3.31Å; E239-F243 VanDerWaalsContact O-CD2 3.24Å; E239-F243 WeakPolarHBondContact O-CD2 3.26Å; E239-F243 PolarHBondContact O-N 2.86Å; E241-F243 VanDerWaalsContact C-N 3.34Å; E241-F243 PolarHBondContact O-N 2.66Å; F243-M245 VanDerWaalsContact C-N 3.28Å; F243-M245 PolarHBondContact O-N 2.87Å; F243-L251 HydrophobicContact CB-CB 3.69Å; F243-L251 HydrophobicContact CB-CD2 4.21Å; F243-L251 HydrophobicContact CB-CG 4.37Å; F243-L251 HydrophobicContact CD2-CD1 4.01Å; F243-L251 HydrophobicContact CD2-CD2 3.91Å; F243-L251 HydrophobicContact CD2-CG 4.41Å; F243-L251 HydrophobicContact CE2-CD1 4.46Å; F243-L251 HydrophobicContact CG-CB 4.31Å; F243-L251 HydrophobicContact CG-CD1 4.23Å; F243-L251 HydrophobicContact CG-CD2 4.39Å |
| 244 | H | 65.2 | Low | 72.9 | Confident | 118 Ų | 118 | 69.2 Ų | 69.2 | 55% | 0.546 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -67.2 | -25.5 | 179.9 | -125.9 | -86.8 | 0 | 0 | 0 | 113.6 | C240 E241 | C240-H244 WeakPolarHBondContact O-CA 3.47Å; C240-H244 WeakPolarHBondContact O-CB 3.28Å; C240-H244 PolarHBondContact O-CD2 2.92Å; C240-H244 PolarHBondContact O-N 2.85Å; E241-H244 PolarHBondContact O-N 3.35Å |
| 245 | M | 54.7 | Low | 72.8 | Confident | 182 Ų | 182 | 71 Ų | 71 | 90% | 0.897 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -130.5 | 8 | -170 | -62.5 | -62.3 | -131.1 | 0 | 0 | 114.5 | F243 | F243-M245 VanDerWaalsContact C-N 3.28Å; F243-M245 PolarHBondContact O-N 2.87Å |
| 246 | G | 47.5 | Very low | 72.9 | Confident | 42 Ų | 42 | 69.9 Ų | 69.9 | 43% | 0.433 | 37% | 0.365 | S | S | . | . | trans | -85.8 | 147.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | A248 | G246-A248 PolarHBondContact O-N 3.25Š| ||
| 247 | Q | 45 | Very low | 73.1 | Confident | 208 Ų | 208 | 71.3 Ų | 71.3 | 97% | 0.972 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -5.4 | 168.7 | -73.5 | 177.3 | -25.9 | 0 | 0 | 113.9 | G249 | Q247-G249 VanDerWaalsContact C-N 3.31Å; Q247-G249 PolarHBondContact O-N 3.25Å |
| 248 | A | 46.7 | Very low | 73.2 | Confident | 35 Ų | 35 | 70.6 Ų | 70.6 | 29% | 0.289 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 7.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | S170 P171 G246 | S170-A248 WeakPolarHBondContact CB-O 3.34Å; S170-A248 PolarHBondContact OG-O 3.26Å; P171-A248 HydrophobicContact CG-CB 4.46Å; G246-A248 PolarHBondContact O-N 3.25Å |
| 249 | G | 55.9 | Low | 73.4 | Confident | 35 Ų | 35 | 70 Ų | 70 | 36% | 0.361 | 37% | 0.369 | S | S | . | . | trans | 82.8 | 155.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q247 | Q247-G249 VanDerWaalsContact C-N 3.31Å; Q247-G249 PolarHBondContact O-N 3.25Å | ||
| 250 | R | 67.1 | Low | 73.4 | Confident | 164 Ų | 164 | 71.6 Ų | 71.6 | 62% | 0.619 | 38% | 0.382 | S | S | * | . | trans | -70.1 | 128.2 | -173.9 | -150.3 | 178.3 | 171.4 | 174.6 | -5.2 | 110 | C252 H254 | R250-C252 VanDerWaalsContact C-N 3.3Å; R250-C252 WeakPolarHBondContact CD-O 3.46Å; R250-C252 VanDerWaalsContact CG-O 3.26Å; R250-C252 WeakPolarHBondContact CG-O 3.29Å; R250-C252 PolarHBondContact O-N 2.71Å; R250-H254 PolarHBondContact NH2-O 3.18Å | ||
| 251 | L | 76.5 | Confident | 73.3 | Confident | 17 Ų | 17 | 72.5 Ų | 72.5 | 9% | 0.089 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -58.4 | -40.6 | -177.8 | -173.3 | 63.5 | 0 | 0 | 0 | 113.4 | E239 F243 Y263 | E239-L251 HydrophobicContact CB-CD2 3.83Å; F243-L251 HydrophobicContact CB-CB 3.69Å; F243-L251 HydrophobicContact CB-CD2 4.21Å; F243-L251 HydrophobicContact CB-CG 4.37Å; F243-L251 HydrophobicContact CD2-CD1 4.01Å; F243-L251 HydrophobicContact CD2-CD2 3.91Å; F243-L251 HydrophobicContact CD2-CG 4.41Å; F243-L251 HydrophobicContact CE2-CD1 4.46Å; F243-L251 HydrophobicContact CG-CB 4.31Å; F243-L251 HydrophobicContact CG-CD1 4.23Å; F243-L251 HydrophobicContact CG-CD2 4.39Å; L251-Y263 HydrophobicContact CD1-CE1 4Å; L251-Y263 HydrophobicContact CD1-CE2 3.95Å; L251-Y263 VanDerWaalsContact CD1-OH 3.31Å; L251-Y263 WeakPolarHBondContact CD1-OH 3.3Å; L251-Y263 HydrophobicContact CD2-CD1 3.83Å; L251-Y263 HydrophobicContact CD2-CD2 3.59Å; L251-Y263 HydrophobicContact CD2-CE1 3.81Å; L251-Y263 HydrophobicContact CD2-CE2 3.57Å; L251-Y263 HydrophobicContact CD2-CG 3.74Å; L251-Y263 HydrophobicContact CG-CD2 4Å; L251-Y263 HydrophobicContact CG-CE1 4.18Å; L251-Y263 HydrophobicContact CG-CE2 3.47Å; L251-Y263 VanDerWaalsContact CG-CE2 3.47Å |
| 252 | C | 79.6 | Confident | 73.5 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.02 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -119.1 | 144.6 | 174.5 | -61.3 | 0 | 0 | 0 | 0 | 108.7 | R250 H254 C256 C265 | R250-C252 VanDerWaalsContact C-N 3.3Å; R250-C252 WeakPolarHBondContact CD-O 3.46Å; R250-C252 VanDerWaalsContact CG-O 3.26Å; R250-C252 WeakPolarHBondContact CG-O 3.29Å; R250-C252 PolarHBondContact O-N 2.71Å; C252-H254 PolarHBondContact O-N 2.85Å; C252-C256 HydrophobicContact CB-CB 4.3Å; C252-C265 WeakPolarHBondContact CA-SG 3.45Å; C252-C265 HydrophobicContact CB-CB 3.6Å; C252-C265 WeakPolarHBondContact CB-SG 3.48Å; C252-C265 WeakPolarHBondContact SG-CA 3.27Å; C252-C265 WeakPolarHBondContact SG-CB 3.41Å; C252-C265 CovalentContact SG-SG 2.03Å; C252-C265 PolarHBondContact SG-SG 2.71Å |
| 253 | L | 79.1 | Confident | 74 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 27% | 0.267 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -57.6 | -41.4 | 174.6 | -178.5 | 66.3 | 0 | 0 | 0 | 111.2 | R278 N279 C280 F447 | L253-R278 PolarHBondContact N-O 2.03Å; L253-N279 HydrophobicContact CD2-CB 4.42Å; L253-C280 HydrophobicContact CD2-CB 3.98Å; L253-F447 HydrophobicContact CD2-CD1 4.36Å |
| 254 | H | 80.1 | Confident | 74.6 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 34% | 0.338 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -116 | -103.9 | -179.1 | -155.9 | 83 | 0 | 0 | 0 | 113.6 | R250 C252 P268 Y445 | R250-H254 PolarHBondContact NH2-O 3.18Å; C252-H254 PolarHBondContact O-N 2.85Å; H254-P268 HydrophobicContact CB-CG 4.39Å; H254-Y445 AromaticContact CE1-CE1 3.98Å |
| 255 | A | 85.6 | Confident | 75.7 | Confident | 38 Ų | 38 | 61.6 Ų | 61.6 | 31% | 0.314 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 135.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | C265 T266 | A255-C265 WeakPolarHBondContact O-CA 3.37Å; A255-T266 WeakPolarHBondContact CB-OG1 3.45Å; A255-T266 PolarHBondContact N-O 2.84Å; A255-T266 PolarHBondContact O-N 3.36Å; A255-T266 PolarHBondContact O-OG1 2.95Å |
| 256 | C | 87.5 | Confident | 77.3 | Confident | 27 Ų | 27 | 55.1 Ų | 55.1 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 133.4 | 172.2 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | C240 C252 | C240-C256 WeakPolarHBondContact CA-SG 3.38Å; C240-C256 HydrophobicContact CB-CB 3.7Å; C240-C256 WeakPolarHBondContact CB-SG 3.31Å; C240-C256 WeakPolarHBondContact SG-CB 3.43Å; C240-C256 CovalentContact SG-SG 2.04Å; C240-C256 PolarHBondContact SG-SG 2.81Å; C252-C256 HydrophobicContact CB-CB 4.3Å |
| 257 | V | 90 | Very high | 79.3 | Confident | 48 Ų | 48 | 54.5 Ų | 54.5 | 29% | 0.291 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117.1 | 174.8 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | C240 R264 T266 | C240-V257 VanDerWaalsContact SG-C 3.5Å; C240-V257 PolarHBondContact SG-N 2.77Å; V257-R264 HydrophobicContact CB-CG 4.12Å; V257-R264 PolarHBondContact N-O 2.77Å; V257-R264 PolarHBondContact O-N 2.99Å; V257-T266 HydrophobicContact CG2-CG2 3.86Å |
| 258 | N | 87.1 | Confident | 81.4 | Confident | 29 Ų | 29 | 45.4 Ų | 45.4 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 140.2 | 176.2 | -171 | 23.7 | 0 | 0 | 0 | 110.4 | D236 D238 C240 G262 | D236-N258 PolarHBondContact OD2-ND2 2.76Å; D236-N258 PolarHBondContact OD2-OD1 3Å; D238-N258 VanDerWaalsContact CG-ND2 3.29Å; D238-N258 WeakPolarHBondContact OD2-CB 3.44Å; D238-N258 PolarHBondContact OD2-ND2 3.27Å; C240-N258 PolarHBondContact SG-N 3.21Å; N258-G262 PolarHBondContact OD1-O 2.69Å |
| 259 | T | 89.4 | Confident | 83.4 | Confident | 32 Ų | 32 | 48 Ų | 48 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 157.4 | 179.4 | 50.9 | 0 | 0 | 0 | 0 | 110.6 | G261 G262 Y263 R264 | T259-G261 PolarHBondContact O-N 3.37Å; T259-G262 CarbonylContact C-O 3.56Å; T259-G262 VanDerWaalsContact C-O 3.27Å; T259-G262 VanDerWaalsContact CA-O 3.27Å; T259-G262 WeakPolarHBondContact CA-O 3.4Å; T259-G262 WeakPolarHBondContact CB-O 3.46Å; T259-G262 PolarHBondContact N-O 3.36Å; T259-G262 CarbonylContact O-C 3.55Å; T259-G262 PolarHBondContact O-N 3.02Å; T259-G262 VanDerWaalsContact O-N 3.09Å; T259-G262 PolarHBondContact OG1-O 3.17Å; T259-Y263 PolarHBondContact OG1-N 2.59Å; T259-R264 HydrophobicContact CG2-CG 4.26Å |
| 260 | P | 86.8 | Confident | 85 | Confident | 60 Ų | 60 | 47.1 Ų | 47.1 | 39% | 0.39 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 112.3 | 175.1 | -28.5 | 38.5 | 0 | 0 | 0 | 112.7 | P202 F203 Y224 | P202-P260 HydrophobicContact CB-CG 4.16Å; P202-P260 VanDerWaalsContact O-CB 3.22Å; P202-P260 WeakPolarHBondContact O-CB 3.31Å; P202-P260 WeakPolarHBondContact O-CG 3.18Å; F203-P260 HydrophobicContact CE1-CG 4.47Å; Y224-P260 WeakPolarHBondContact OH-CA 3.11Å; Y224-P260 WeakPolarHBondContact OH-CB 3.25Å |
| 261 | G | 82.3 | Confident | 86.1 | Confident | 29 Ų | 29 | 40 Ų | 40 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 14.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y224 D236 T259 | Y224-G261 PolarHBondContact OH-N 3.2Å; D236-G261 WeakPolarHBondContact OD1-CA 3.44Å; D236-G261 PolarHBondContact OD1-N 2.79Å; T259-G261 PolarHBondContact O-N 3.37Å |
| 262 | G | 86.9 | Confident | 86.7 | Confident | 15 Ų | 15 | 44 Ų | 44 | 16% | 0.155 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | -165.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E239 N258 T259 | E239-G262 WeakPolarHBondContact OE1-CA 3.4Å; E239-G262 WeakPolarHBondContact OE2-CA 3.43Å; N258-G262 PolarHBondContact OD1-O 2.69Å; T259-G262 CarbonylContact C-O 3.56Å; T259-G262 VanDerWaalsContact C-O 3.27Å; T259-G262 VanDerWaalsContact CA-O 3.27Å; T259-G262 WeakPolarHBondContact CA-O 3.4Å; T259-G262 WeakPolarHBondContact CB-O 3.46Å; T259-G262 PolarHBondContact N-O 3.36Å; T259-G262 CarbonylContact O-C 3.55Å; T259-G262 PolarHBondContact O-N 3.02Å; T259-G262 VanDerWaalsContact O-N 3.09Å; T259-G262 PolarHBondContact OG1-O 3.17Å |
| 263 | Y | 88.1 | Confident | 87.2 | Confident | 62 Ų | 62 | 46.9 Ų | 46.9 | 24% | 0.243 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 163.9 | 177 | 67.9 | -78.8 | 0 | 0 | 0 | 111.1 | E239 L251 T259 R278 | E239-Y263 HydrophobicContact CB-CD1 3.69Å; E239-Y263 HydrophobicContact CB-CE1 4.37Å; E239-Y263 HydrophobicContact CB-CG 4.24Å; E239-Y263 HydrophobicContact CG-CD1 3.94Å; E239-Y263 PolarHBondContact OE2-N 3.49Å; L251-Y263 HydrophobicContact CD1-CE1 4Å; L251-Y263 HydrophobicContact CD1-CE2 3.95Å; L251-Y263 VanDerWaalsContact CD1-OH 3.31Å; L251-Y263 WeakPolarHBondContact CD1-OH 3.3Å; L251-Y263 HydrophobicContact CD2-CD1 3.83Å; L251-Y263 HydrophobicContact CD2-CD2 3.59Å; L251-Y263 HydrophobicContact CD2-CE1 3.81Å; L251-Y263 HydrophobicContact CD2-CE2 3.57Å; L251-Y263 HydrophobicContact CD2-CG 3.74Å; L251-Y263 HydrophobicContact CG-CD2 4Å; L251-Y263 HydrophobicContact CG-CE1 4.18Å; L251-Y263 HydrophobicContact CG-CE2 3.47Å; L251-Y263 VanDerWaalsContact CG-CE2 3.47Å; T259-Y263 PolarHBondContact OG1-N 2.59Å; Y263-R278 PolarHBondContact OH-NE 2.64Å; Y263-R278 PolarHBondContact OH-NH2 2.95Å |
| 264 | R | 86 | Confident | 87.6 | Confident | 132 Ų | 132 | 46.3 Ų | 46.3 | 50% | 0.498 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.6 | 164.6 | 70.4 | -178.5 | -172.4 | -77.6 | 0.9 | 110.9 | V257 T259 | V257-R264 HydrophobicContact CB-CG 4.12Å; V257-R264 PolarHBondContact N-O 2.77Å; V257-R264 PolarHBondContact O-N 2.99Å; T259-R264 HydrophobicContact CG2-CG 4.26Å |
| 265 | C | 88 | Confident | 87.8 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 7% | 0.074 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 142.9 | 170.6 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | C252 A255 G277 | C252-C265 WeakPolarHBondContact CA-SG 3.45Å; C252-C265 HydrophobicContact CB-CB 3.6Å; C252-C265 WeakPolarHBondContact CB-SG 3.48Å; C252-C265 WeakPolarHBondContact SG-CA 3.27Å; C252-C265 WeakPolarHBondContact SG-CB 3.41Å; C252-C265 CovalentContact SG-SG 2.03Å; C252-C265 PolarHBondContact SG-SG 2.71Å; A255-C265 WeakPolarHBondContact O-CA 3.37Å; C265-G277 WeakPolarHBondContact CB-O 3.38Å; C265-G277 PolarHBondContact SG-O 3.01Å |
| 266 | T | 88.9 | Confident | 87.5 | Confident | 47 Ų | 47 | 57.8 Ų | 57.8 | 29% | 0.288 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 141 | 176 | 56.9 | 0 | 0 | 0 | 0 | 109.6 | A255 V257 | A255-T266 WeakPolarHBondContact CB-OG1 3.45Å; A255-T266 PolarHBondContact N-O 2.84Å; A255-T266 PolarHBondContact O-N 3.36Å; A255-T266 PolarHBondContact O-OG1 2.95Å; V257-T266 HydrophobicContact CG2-CG2 3.86Å |
| 267 | C | 89.6 | Confident | 87.3 | Confident | 28 Ų | 28 | 58 Ų | 58 | 19% | 0.189 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -100.7 | 155.2 | -178.8 | -64 | 0 | 0 | 0 | 0 | 111.2 | C280 | C267-C280 WeakPolarHBondContact CA-SG 2.72Å; C267-C280 HydrophobicContact CB-CB 3.79Å; C267-C280 WeakPolarHBondContact CB-SG 3.3Å; C267-C280 WeakPolarHBondContact SG-CA 3.44Å; C267-C280 WeakPolarHBondContact SG-CB 3.08Å; C267-C280 CovalentContact SG-SG 2.03Å; C267-C280 PolarHBondContact SG-SG 2.78Å |
| 268 | P | 88.8 | Confident | 86.9 | Confident | 17 Ų | 17 | 61.4 Ų | 61.4 | 11% | 0.11 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 163.4 | 169 | -20.9 | 32.5 | 0 | 0 | 0 | 111.9 | H254 G270 Y271 Y445 | H254-P268 HydrophobicContact CB-CG 4.39Å; P268-G270 PolarHBondContact O-N 2.78Å; P268-Y271 HydrophobicContact CB-CD2 4.05Å; P268-Y271 HydrophobicContact CG-CD2 4.44Å; P268-Y271 PolarHBondContact O-N 2.91Å; P268-Y445 HydrophobicContact CB-CE1 4Å; P268-Y445 HydrophobicContact CB-CE2 4.37Å; P268-Y445 HydrophobicContact CG-CD1 4.11Å; P268-Y445 HydrophobicContact CG-CE1 3.85Å |
| 269 | A | 88 | Confident | 86.7 | Confident | 89 Ų | 89 | 63.1 Ų | 63.1 | 74% | 0.736 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 140.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y271 | A269-Y271 WeakPolarHBondContact O-CD2 3.46Š|
| 270 | G | 88.9 | Confident | 86.5 | Confident | 18 Ų | 18 | 62.3 Ų | 62.3 | 19% | 0.186 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 3.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P268 I283 | P268-G270 PolarHBondContact O-N 2.78Å; G270-I283 WeakPolarHBondContact O-CB 3.38Å; G270-I283 WeakPolarHBondContact O-CG1 3.35Å; G270-I283 PolarHBondContact O-N 3.11Å |
| 271 | Y | 90.3 | Very high | 86.6 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 5% | 0.051 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 146.6 | -179.5 | -63.4 | -93.2 | 0 | 0 | 0 | 112.6 | P268 A269 C280 K281 D282 Y303 G304 Y445 F447 | P268-Y271 HydrophobicContact CB-CD2 4.05Å; P268-Y271 HydrophobicContact CG-CD2 4.44Å; P268-Y271 PolarHBondContact O-N 2.91Å; A269-Y271 WeakPolarHBondContact O-CD2 3.46Å; Y271-C280 HydrophobicContact CD1-CB 4.32Å; Y271-C280 HydrophobicContact CG-CB 4.44Å; Y271-K281 CarbonylContact C-O 3.59Å; Y271-K281 WeakPolarHBondContact CA-O 3.32Å; Y271-D282 VanDerWaalsContact CD1-CA 3.43Å; Y271-D282 HydrophobicContact CD1-CB 4.06Å; Y271-D282 HydrophobicContact CE1-CB 3.7Å; Y271-Y303 VanDerWaalsContact OH-CA 3.32Å; Y271-Y303 WeakPolarHBondContact OH-CA 3.48Å; Y271-Y303 WeakPolarHBondContact OH-CB 3.33Å; Y271-Y303 PolarHBondContact OH-O 3.47Å; Y271-G304 VanDerWaalsContact CZ-CA 3.41Å; Y271-G304 VanDerWaalsContact CZ-N 3.27Å; Y271-G304 WeakPolarHBondContact OH-CA 3.41Å; Y271-G304 PolarHBondContact OH-N 2.87Å; Y271-Y445 HydrophobicContact CE2-CD2 4.11Å; Y271-Y445 HydrophobicContact CE2-CE2 4.45Å; Y271-F447 AromaticContact CD1-CE1 3.68Å; Y271-F447 HydrophobicContact CD1-CE1 3.68Å; Y271-F447 AromaticContact CD1-CZ 3.82Å; Y271-F447 HydrophobicContact CD1-CZ 3.82Å; Y271-F447 HydrophobicContact CE1-CD1 4.23Å; Y271-F447 AromaticContact CE1-CE1 3.23Å; Y271-F447 HydrophobicContact CE1-CE1 3.23Å; Y271-F447 AromaticContact CE1-CE2 3.68Å; Y271-F447 HydrophobicContact CE1-CE2 3.68Å; Y271-F447 AromaticContact CE1-CZ 2.95Å; Y271-F447 HydrophobicContact CE1-CZ 2.95Å; Y271-F447 AromaticContact CE2-CZ 3.87Å; Y271-F447 HydrophobicContact CE2-CZ 3.87Å; Y271-F447 AromaticContact CZ-CE1 3.77Å; Y271-F447 AromaticContact CZ-CE2 3.6Å; Y271-F447 AromaticContact CZ-CZ 3Å; Y271-F447 WeakPolarHBondContact OH-CE2 3.27Å; Y271-F447 WeakPolarHBondContact OH-CZ 3.27Å |
| 272 | N | 90.6 | Very high | 87 | Confident | 101 Ų | 101 | 66.7 Ų | 66.7 | 54% | 0.54 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 145.5 | 171.2 | -81.9 | -31.1 | 0 | 0 | 0 | 111.3 | C280 K281 I283 | N272-C280 WeakPolarHBondContact O-CA 3.5Å; N272-K281 PolarHBondContact N-O 3.27Å; N272-K281 PolarHBondContact O-N 3.07Å; N272-I283 HydrophobicContact CB-CG1 4.39Å |
| 273 | V | 88.4 | Confident | 87.2 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 39% | 0.394 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 134.9 | 172.2 | -173 | 0 | 0 | 0 | 0 | 109.1 | N279 | V273-N279 WeakPolarHBondContact CA-O 3.32Å |
| 274 | T | 87.4 | Confident | 87.4 | Confident | 38 Ų | 38 | 67.9 Ų | 67.9 | 23% | 0.233 | 35% | 0.35 | C | S | . | . | trans | -73.3 | 171.3 | 177.5 | 52.2 | 0 | 0 | 0 | 0 | 112 | D276 G277 N279 K281 | T274-D276 WeakPolarHBondContact CB-OD1 3.05Å; T274-D276 PolarHBondContact O-N 2.82Å; T274-D276 PolarHBondContact OG1-OD1 2.77Å; T274-D276 PolarHBondContact OG1-OD2 2.79Å; T274-G277 PolarHBondContact O-N 2.82Å; T274-N279 HydrophobicContact CG2-CB 3.91Å; T274-N279 PolarHBondContact N-O 2.9Å; T274-N279 WeakPolarHBondContact OG1-CA 3.01Å; T274-N279 VanDerWaalsContact OG1-CB 3.28Å; T274-N279 WeakPolarHBondContact OG1-CB 3.26Å; T274-N279 PolarHBondContact OG1-N 2.78Å; T274-N279 PolarHBondContact OG1-O 3.4Å; T274-N279 VanDerWaalsContact OG1-O 3.06Å; T274-K281 HydrophobicContact CG2-CB 3.88Å | ||
| 275 | R | 84.7 | Confident | 87.9 | Confident | 264 Ų | 264 | 62.6 Ų | 62.6 | 100% | 0.996 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -30.7 | -176.4 | -71 | -176 | 175.5 | 172.8 | -0.7 | 113.8 | G277 | R275-G277 PolarHBondContact O-N 2.74Š|
| 276 | D | 79.6 | Confident | 88.1 | Confident | 89 Ų | 89 | 63.6 Ų | 63.6 | 48% | 0.476 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -9.6 | 173.9 | 54.7 | -65.2 | 0 | 0 | 0 | 113.2 | T274 R278 N279 | T274-D276 WeakPolarHBondContact CB-OD1 3.05Å; T274-D276 PolarHBondContact O-N 2.82Å; T274-D276 PolarHBondContact OG1-OD1 2.77Å; T274-D276 PolarHBondContact OG1-OD2 2.79Å; D276-R278 PolarHBondContact O-N 2.99Å; D276-R278 PolarHBondContact OD2-N 3.42Å; D276-N279 PolarHBondContact OD2-N 3.35Å |
| 277 | G | 83.6 | Confident | 88.3 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 32% | 0.32 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 75.1 | 4.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | C265 T274 R275 | C265-G277 WeakPolarHBondContact CB-O 3.38Å; C265-G277 PolarHBondContact SG-O 3.01Å; T274-G277 PolarHBondContact O-N 2.82Å; R275-G277 PolarHBondContact O-N 2.74Å |
| 278 | R | 81.4 | Confident | 88.4 | Confident | 119 Ų | 119 | 67 Ų | 67 | 45% | 0.449 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -120.3 | -32 | -171.9 | -62.6 | -178.3 | -175 | -150.5 | 1.8 | 114.4 | L253 Y263 D276 | L253-R278 PolarHBondContact N-O 2.03Å; Y263-R278 PolarHBondContact OH-NE 2.64Å; Y263-R278 PolarHBondContact OH-NH2 2.95Å; D276-R278 PolarHBondContact O-N 2.99Å; D276-R278 PolarHBondContact OD2-N 3.42Å |
| 279 | N | 83.8 | Confident | 88.2 | Confident | 66 Ų | 66 | 76.6 Ų | 76.6 | 35% | 0.353 | 40% | 0.399 | S | S | . | . | trans | -97.7 | 167.5 | -179.9 | -60.4 | -25.4 | 0 | 0 | 0 | 112.8 | L253 V273 T274 D276 | L253-N279 HydrophobicContact CD2-CB 4.42Å; V273-N279 WeakPolarHBondContact CA-O 3.32Å; T274-N279 HydrophobicContact CG2-CB 3.91Å; T274-N279 PolarHBondContact N-O 2.9Å; T274-N279 WeakPolarHBondContact OG1-CA 3.01Å; T274-N279 VanDerWaalsContact OG1-CB 3.28Å; T274-N279 WeakPolarHBondContact OG1-CB 3.26Å; T274-N279 PolarHBondContact OG1-N 2.78Å; T274-N279 PolarHBondContact OG1-O 3.4Å; T274-N279 VanDerWaalsContact OG1-O 3.06Å; D276-N279 PolarHBondContact OD2-N 3.35Å | ||
| 280 | C | 85.2 | Confident | 88.4 | Confident | 14 Ų | 14 | 78.3 Ų | 78.3 | 10% | 0.095 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.5 | 179.1 | -62 | 0 | 0 | 0 | 0 | 110.1 | L253 C267 Y271 N272 | L253-C280 HydrophobicContact CD2-CB 3.98Å; C267-C280 WeakPolarHBondContact CA-SG 2.72Å; C267-C280 HydrophobicContact CB-CB 3.79Å; C267-C280 WeakPolarHBondContact CB-SG 3.3Å; C267-C280 WeakPolarHBondContact SG-CA 3.44Å; C267-C280 WeakPolarHBondContact SG-CB 3.08Å; C267-C280 CovalentContact SG-SG 2.03Å; C267-C280 PolarHBondContact SG-SG 2.78Å; Y271-C280 HydrophobicContact CD1-CB 4.32Å; Y271-C280 HydrophobicContact CG-CB 4.44Å; N272-C280 WeakPolarHBondContact O-CA 3.5Å |
| 281 | K | 87.9 | Confident | 88.5 | Confident | 149 Ų | 149 | 79.4 Ų | 79.4 | 65% | 0.648 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.8 | 174.9 | -178.1 | 175.9 | 179.3 | 176.4 | 0 | 109.8 | Y271 N272 T274 | Y271-K281 CarbonylContact C-O 3.59Å; Y271-K281 WeakPolarHBondContact CA-O 3.32Å; N272-K281 PolarHBondContact N-O 3.27Å; N272-K281 PolarHBondContact O-N 3.07Å; T274-K281 HydrophobicContact CG2-CB 3.88Å |
| 282 | D | 90.4 | Very high | 88.7 | Confident | 33 Ų | 33 | 85.1 Ų | 85.1 | 18% | 0.176 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 138.7 | 175.7 | -173.4 | 65.8 | 0 | 0 | 0 | 111.6 | Y271 N301 G304 | Y271-D282 VanDerWaalsContact CD1-CA 3.43Å; Y271-D282 HydrophobicContact CD1-CB 4.06Å; Y271-D282 HydrophobicContact CE1-CB 3.7Å; D282-N301 PolarHBondContact OD2-ND2 2.88Å; D282-G304 PolarHBondContact OD1-N 3.47Å |
| 283 | I | 91.4 | Very high | 88.8 | Confident | 39 Ų | 39 | 81.6 Ų | 81.6 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | trans | -88.7 | 111.7 | 175 | -61.3 | 171.7 | 0 | 0 | 0 | 107.5 | G270 N272 E285 | G270-I283 WeakPolarHBondContact O-CB 3.38Å; G270-I283 WeakPolarHBondContact O-CG1 3.35Å; G270-I283 PolarHBondContact O-N 3.11Å; N272-I283 HydrophobicContact CB-CG1 4.39Å; I283-E285 HydrophobicContact CG2-CG 4.26Å; I283-E285 PolarHBondContact O-N 2.83Å | ||
| 284 | D | 93.5 | Very high | 89 | Confident | 63 Ų | 63 | 81.6 Ų | 81.6 | 34% | 0.337 | 41% | 0.411 | S | S | . | . | trans | -77.3 | 92 | 175.7 | -171.8 | -21.6 | 0 | 0 | 0 | 110.6 | C286 A287 T288 N301 | D284-C286 PolarHBondContact O-N 2.82Å; D284-C286 WeakPolarHBondContact OD1-CA 2.91Å; D284-C286 WeakPolarHBondContact OD1-CB 2.99Å; D284-C286 PolarHBondContact OD1-N 3.2Å; D284-C286 VanDerWaalsContact OD1-N 3.08Å; D284-A287 HydrophobicContact CB-CB 3.99Å; D284-A287 VanDerWaalsContact CG-CB 3.4Å; D284-A287 PolarHBondContact O-N 2.79Å; D284-A287 PolarHBondContact OD1-N 2.86Å; D284-A287 WeakPolarHBondContact OD2-CB 3.41Å; D284-T288 WeakPolarHBondContact O-CB 3.09Å; D284-T288 WeakPolarHBondContact O-CG2 3.38Å; D284-T288 PolarHBondContact O-N 2.9Å; D284-T288 PolarHBondContact O-OG1 3.23Å; D284-N301 WeakPolarHBondContact CA-OD1 3.33Å | ||
| 285 | E | 94.9 | Very high | 88.8 | Confident | 21 Ų | 21 | 92.2 Ų | 92.2 | 10% | 0.098 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -69.1 | -21.3 | -180 | -57.1 | 92.1 | 171.5 | 0 | 0 | 112.6 | I283 T288 R289 L290 N291 N301 G305 F306 | I283-E285 HydrophobicContact CG2-CG 4.26Å; I283-E285 PolarHBondContact O-N 2.83Å; E285-T288 WeakPolarHBondContact CA-OG1 3.28Å; E285-R289 PolarHBondContact O-N 2.51Å; E285-L290 HydrophobicContact CB-CB 4.25Å; E285-L290 HydrophobicContact CG-CB 4.41Å; E285-L290 PolarHBondContact O-N 3.19Å; E285-N291 HydrophobicContact CB-CB 4.41Å; E285-N291 PolarHBondContact O-N 2.92Å; E285-N291 PolarHBondContact O-ND2 2.76Å; E285-N301 PolarHBondContact OE2-OD1 2.88Å; E285-G305 WeakPolarHBondContact OE1-CA 3.32Å; E285-G305 WeakPolarHBondContact OE2-CA 3.32Å; E285-F306 HydrophobicContact CB-CB 4.32Å; E285-F306 HydrophobicContact CB-CD1 3.51Å; E285-F306 HydrophobicContact CB-CE1 4.13Å; E285-F306 HydrophobicContact CB-CG 4.07Å; E285-F306 HydrophobicContact CG-CD1 3.71Å; E285-F306 HydrophobicContact CG-CE1 4.22Å |
| 286 | C | 92.6 | Very high | 88.8 | Confident | 32 Ų | 32 | 83.5 Ų | 83.5 | 22% | 0.216 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -73.3 | -43.9 | 175.4 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | D284 C299 I300 N301 | D284-C286 PolarHBondContact O-N 2.82Å; D284-C286 WeakPolarHBondContact OD1-CA 2.91Å; D284-C286 WeakPolarHBondContact OD1-CB 2.99Å; D284-C286 PolarHBondContact OD1-N 3.2Å; D284-C286 VanDerWaalsContact OD1-N 3.08Å; C286-C299 WeakPolarHBondContact CA-SG 3.1Å; C286-C299 HydrophobicContact CB-CB 3.86Å; C286-C299 WeakPolarHBondContact CB-SG 3.42Å; C286-C299 WeakPolarHBondContact SG-CB 3.32Å; C286-C299 CovalentContact SG-SG 2.04Å; C286-C299 PolarHBondContact SG-SG 3.32Å; C286-I300 PolarHBondContact SG-N 2.98Å; C286-N301 HydrophobicContact CB-CB 4.44Å; C286-N301 PolarHBondContact SG-N 3.31Å |
| 287 | A | 93.5 | Very high | 89.3 | Confident | 71 Ų | 71 | 82.1 Ų | 82.1 | 59% | 0.587 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -72.9 | -39 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | D284 R289 | D284-A287 HydrophobicContact CB-CB 3.99Å; D284-A287 VanDerWaalsContact CG-CB 3.4Å; D284-A287 PolarHBondContact O-N 2.79Å; D284-A287 PolarHBondContact OD1-N 2.86Å; D284-A287 WeakPolarHBondContact OD2-CB 3.41Å; A287-R289 VanDerWaalsContact C-N 3.27Å; A287-R289 PolarHBondContact O-N 3.06Å |
| 288 | T | 90.9 | Very high | 89.6 | Confident | 75 Ų | 75 | 84 Ų | 84 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -80.5 | -6.1 | -179.1 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | D284 E285 L290 | D284-T288 WeakPolarHBondContact O-CB 3.09Å; D284-T288 WeakPolarHBondContact O-CG2 3.38Å; D284-T288 PolarHBondContact O-N 2.9Å; D284-T288 PolarHBondContact O-OG1 3.23Å; E285-T288 WeakPolarHBondContact CA-OG1 3.28Å; T288-L290 PolarHBondContact O-N 2.78Å |
| 289 | R | 86.1 | Confident | 90.1 | Very high | 219 Ų | 219 | 79.8 Ų | 79.8 | 83% | 0.826 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 31.1 | -175.5 | -53.5 | -177.3 | 178.8 | 177.2 | 0.4 | 113.4 | E285 A287 N291 | E285-R289 PolarHBondContact O-N 2.51Å; A287-R289 VanDerWaalsContact C-N 3.27Å; A287-R289 PolarHBondContact O-N 3.06Å; R289-N291 VanDerWaalsContact C-N 3.33Å |
| 290 | L | 90.5 | Very high | 90.5 | Very high | 124 Ų | 124 | 77.9 Ų | 77.9 | 65% | 0.649 | 39% | 0.39 | S | S | * | . | trans | -90.1 | -0.9 | 172.4 | -65.8 | 174.3 | 0 | 0 | 0 | 112.4 | E285 T288 | E285-L290 HydrophobicContact CB-CB 4.25Å; E285-L290 HydrophobicContact CG-CB 4.41Å; E285-L290 PolarHBondContact O-N 3.19Å; T288-L290 PolarHBondContact O-N 2.78Å | ||
| 291 | N | 91.4 | Very high | 90.8 | Very high | 42 Ų | 42 | 79.3 Ų | 79.3 | 23% | 0.225 | 40% | 0.397 | C | S | . | . | trans | -71.6 | 151.7 | 173.2 | 66.3 | 86.2 | 0 | 0 | 0 | 112.4 | E285 R289 C293 C299 F306 | E285-N291 HydrophobicContact CB-CB 4.41Å; E285-N291 PolarHBondContact O-N 2.92Å; E285-N291 PolarHBondContact O-ND2 2.76Å; R289-N291 VanDerWaalsContact C-N 3.33Å; N291-C293 PolarHBondContact OD1-N 3.25Å; N291-C299 WeakPolarHBondContact CB-SG 3Å; N291-F306 HydrophobicContact CB-CD1 4.38Å; N291-F306 HydrophobicContact CB-CD2 3.58Å; N291-F306 HydrophobicContact CB-CE1 4.33Å; N291-F306 HydrophobicContact CB-CE2 3.54Å; N291-F306 HydrophobicContact CB-CG 4.03Å; N291-F306 HydrophobicContact CB-CZ 3.94Å | ||
| 292 | N | 94 | Very high | 90.9 | Very high | 133 Ų | 133 | 73 Ų | 73 | 71% | 0.711 | 37% | 0.371 | S | S | * | . | trans | -103.1 | 25.5 | 177.3 | 66.1 | 0.6 | 0 | 0 | 0 | 112.9 | F306 | N292-F306 VanDerWaalsContact OD1-CE2 3.29Å; N292-F306 WeakPolarHBondContact OD1-CE2 3.29Å; N292-F306 WeakPolarHBondContact OD1-CZ 2.99Å | ||
| 293 | C | 92.9 | Very high | 90.7 | Very high | 26 Ų | 26 | 75.9 Ų | 75.9 | 18% | 0.176 | 38% | 0.38 | C | S | . | . | trans | -70.1 | 142.6 | -178.1 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | N291 Q297 C308 | N291-C293 PolarHBondContact OD1-N 3.25Å; C293-Q297 HydrophobicContact CB-CB 4.16Å; C293-C308 WeakPolarHBondContact CA-SG 3.48Å; C293-C308 HydrophobicContact CB-CB 3.79Å; C293-C308 WeakPolarHBondContact CB-SG 3.09Å; C293-C308 VanDerWaalsContact SG-CA 3.54Å; C293-C308 WeakPolarHBondContact SG-CB 2.99Å; C293-C308 CovalentContact SG-SG 2.03Å; C293-C308 PolarHBondContact SG-SG 3.27Å | ||
| 294 | T | 92.5 | Very high | 90.4 | Very high | 66 Ų | 66 | 75.3 Ų | 75.3 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | trans | -73.6 | 162.3 | 173.5 | 64.3 | 0 | 0 | 0 | 0 | 111.2 | D296 Q297 | T294-D296 WeakPolarHBondContact CB-OD1 3.42Å; T294-D296 PolarHBondContact O-N 2.8Å; T294-D296 VanDerWaalsContact O-N 3.12Å; T294-D296 PolarHBondContact OG1-OD1 2.8Å; T294-Q297 WeakPolarHBondContact O-CB 3.26Å; T294-Q297 PolarHBondContact O-N 2.95Å; T294-Q297 VanDerWaalsContact OG1-CG 3.22Å; T294-Q297 WeakPolarHBondContact OG1-CG 3.48Å; T294-Q297 PolarHBondContact OG1-OE1 2.83Å | ||
| 295 | R | 83.5 | Confident | 90.3 | Very high | 261 Ų | 261 | 73 Ų | 73 | 99% | 0.985 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.3 | -177.5 | -73.7 | -172.2 | 175.5 | 179.2 | 0.1 | 114.4 | ||
| 296 | D | 85.2 | Confident | 90.2 | Very high | 81 Ų | 81 | 74.7 Ų | 74.7 | 43% | 0.433 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -6 | 178.2 | 61.6 | -65.9 | 0 | 0 | 0 | 113.4 | T294 R310 | T294-D296 WeakPolarHBondContact CB-OD1 3.42Å; T294-D296 PolarHBondContact O-N 2.8Å; T294-D296 VanDerWaalsContact O-N 3.12Å; T294-D296 PolarHBondContact OG1-OD1 2.8Å; D296-R310 IonicContact OD2-CZ 3.81Å; D296-R310 IonicContact OD2-NE 3.87Å; D296-R310 PolarHBondContact OD2-NE 2.89Å; D296-R310 IonicContact OD2-NH2 3.72Å; D296-R310 PolarHBondContact OD2-NH2 2.98Å |
| 297 | Q | 89.6 | Confident | 90.1 | Very high | 59 Ų | 59 | 76.8 Ų | 76.8 | 28% | 0.276 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -98.9 | 148.3 | 176 | -70.4 | 170.4 | -16.5 | 0 | 0 | 111 | C293 T294 C308 R310 | C293-Q297 HydrophobicContact CB-CB 4.16Å; T294-Q297 WeakPolarHBondContact O-CB 3.26Å; T294-Q297 PolarHBondContact O-N 2.95Å; T294-Q297 VanDerWaalsContact OG1-CG 3.22Å; T294-Q297 WeakPolarHBondContact OG1-CG 3.48Å; T294-Q297 PolarHBondContact OG1-OE1 2.83Å; Q297-C308 HydrophobicContact CB-CB 4.19Å; Q297-C308 HydrophobicContact CG-CB 4.47Å; Q297-R310 HydrophobicContact CG-CB 4.42Å |
| 298 | M | 90.3 | Very high | 90.1 | Very high | 71 Ų | 71 | 75.2 Ų | 75.2 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131.6 | 171 | -173.8 | 171.7 | -161.3 | 0 | 0 | 109.1 | I300 C308 V309 P326 L327 | M298-I300 HydrophobicContact CG-CD1 4.05Å; M298-I300 HydrophobicContact SD-CD1 4.17Å; M298-C308 WeakPolarHBondContact O-CA 3.42Å; M298-V309 HydrophobicContact CB-CG2 3.99Å; M298-V309 PolarHBondContact N-O 2.6Å; M298-V309 PolarHBondContact O-N 3.03Å; M298-P326 HydrophobicContact SD-CB 4.45Å; M298-L327 HydrophobicContact CE-CD1 4.41Å; M298-L327 HydrophobicContact SD-CD1 4.35Å; M298-L327 HydrophobicContact SD-CD2 3.64Å; M298-L327 HydrophobicContact SD-CG 4Å |
| 299 | C | 92.5 | Very high | 90.1 | Very high | 30 Ų | 30 | 72.3 Ų | 72.3 | 20% | 0.203 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 127 | 173.2 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | C286 N291 | C286-C299 WeakPolarHBondContact CA-SG 3.1Å; C286-C299 HydrophobicContact CB-CB 3.86Å; C286-C299 WeakPolarHBondContact CB-SG 3.42Å; C286-C299 WeakPolarHBondContact SG-CB 3.32Å; C286-C299 CovalentContact SG-SG 2.04Å; C286-C299 PolarHBondContact SG-SG 3.32Å; N291-C299 WeakPolarHBondContact CB-SG 3Å |
| 300 | I | 91.9 | Very high | 90.3 | Very high | 27 Ų | 27 | 68.1 Ų | 68.1 | 14% | 0.138 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 119.3 | 172.6 | -54 | -61.2 | 0 | 0 | 0 | 108 | C286 M298 F306 Q307 V309 Y352 F441 | C286-I300 PolarHBondContact SG-N 2.98Å; M298-I300 HydrophobicContact CG-CD1 4.05Å; M298-I300 HydrophobicContact SD-CD1 4.17Å; I300-F306 CarbonylContact O-C 3.56Å; I300-F306 WeakPolarHBondContact O-CA 3.4Å; I300-Q307 PolarHBondContact N-O 3.5Å; I300-Q307 PolarHBondContact O-N 2.03Å; I300-V309 HydrophobicContact CD1-CG2 4.25Å; I300-V309 HydrophobicContact CG1-CG1 4.28Å; I300-V309 HydrophobicContact CG1-CG2 3.63Å; I300-Y352 HydrophobicContact CD1-CD2 4.02Å; I300-Y352 HydrophobicContact CD1-CG 4.21Å; I300-Y352 HydrophobicContact CG1-CD2 4.2Å; I300-Y352 HydrophobicContact CG1-CG 4.02Å; I300-F441 HydrophobicContact CG2-CD2 4.43Å; I300-F441 HydrophobicContact CG2-CE2 4.16Å |
| 301 | N | 91 | Very high | 90.1 | Very high | 44 Ų | 44 | 62.5 Ų | 62.5 | 24% | 0.235 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 137.3 | 175.7 | -166.4 | 53.8 | 0 | 0 | 0 | 109.8 | D282 D284 E285 C286 | D282-N301 PolarHBondContact OD2-ND2 2.88Å; D284-N301 WeakPolarHBondContact CA-OD1 3.33Å; E285-N301 PolarHBondContact OE2-OD1 2.88Å; C286-N301 HydrophobicContact CB-CB 4.44Å; C286-N301 PolarHBondContact SG-N 3.31Å |
| 302 | T | 89.6 | Confident | 90 | Very high | 17 Ų | 17 | 65.8 Ų | 65.8 | 10% | 0.104 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 156.3 | 178.2 | 59.8 | 0 | 0 | 0 | 0 | 109.8 | G304 G305 Q307 S354 F441 | T302-G304 PolarHBondContact O-N 2.8Å; T302-G305 CarbonylContact C-O 3.48Å; T302-G305 VanDerWaalsContact C-O 3.31Å; T302-G305 VanDerWaalsContact CA-O 3.31Å; T302-G305 WeakPolarHBondContact CA-O 3.36Å; T302-G305 PolarHBondContact N-O 3.15Å; T302-G305 CarbonylContact O-C 3.58Å; T302-G305 PolarHBondContact O-N 2.94Å; T302-G305 VanDerWaalsContact O-N 3.11Å; T302-G305 PolarHBondContact OG1-O 3.22Å; T302-Q307 HydrophobicContact CG2-CG 4.03Å; T302-S354 WeakPolarHBondContact CA-OG 3.37Å; T302-F441 HydrophobicContact CG2-CB 3.82Å; T302-F441 HydrophobicContact CG2-CD2 3.66Å; T302-F441 HydrophobicContact CG2-CE2 4.42Å; T302-F441 HydrophobicContact CG2-CG 3.83Å |
| 303 | Y | 86.8 | Confident | 89.8 | Confident | 93 Ų | 93 | 61 Ų | 61 | 37% | 0.365 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 105.1 | 174.9 | -72.7 | -80.1 | 0 | 0 | 0 | 111 | Y271 S354 V356 S443 F447 | Y271-Y303 VanDerWaalsContact OH-CA 3.32Å; Y271-Y303 WeakPolarHBondContact OH-CA 3.48Å; Y271-Y303 WeakPolarHBondContact OH-CB 3.33Å; Y271-Y303 PolarHBondContact OH-O 3.47Å; Y303-S354 WeakPolarHBondContact CD2-OG 3.11Å; Y303-S354 PolarHBondContact N-OG 3.24Å; Y303-V356 HydrophobicContact CD2-CG2 4.17Å; Y303-V356 HydrophobicContact CE1-CG2 4.48Å; Y303-V356 HydrophobicContact CE2-CG2 3.93Å; Y303-S443 PolarHBondContact O-OG 3.2Å; Y303-F447 AromaticContact CD1-CD2 3.49Å; Y303-F447 HydrophobicContact CD1-CD2 3.49Å; Y303-F447 VanDerWaalsContact CD1-CD2 3.49Å; Y303-F447 AromaticContact CD1-CE2 3.67Å; Y303-F447 HydrophobicContact CD1-CE2 3.67Å; Y303-F447 HydrophobicContact CD1-CG 4.4Å; Y303-F447 AromaticContact CE1-CD2 3.96Å; Y303-F447 HydrophobicContact CE1-CD2 3.96Å; Y303-F447 HydrophobicContact CG-CD2 4.18Å; Y303-F447 HydrophobicContact CG-CE2 4.14Å |
| 304 | G | 85.9 | Confident | 89.5 | Confident | 26 Ų | 26 | 61.8 Ų | 61.8 | 27% | 0.268 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.3 | 11.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y271 D282 T302 | Y271-G304 VanDerWaalsContact CZ-CA 3.41Å; Y271-G304 VanDerWaalsContact CZ-N 3.27Å; Y271-G304 WeakPolarHBondContact OH-CA 3.41Å; Y271-G304 PolarHBondContact OH-N 2.87Å; D282-G304 PolarHBondContact OD1-N 3.47Å; T302-G304 PolarHBondContact O-N 2.8Å |
| 305 | G | 90.5 | Very high | 89.2 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 14% | 0.144 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.4 | -156.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E285 T302 | E285-G305 WeakPolarHBondContact OE1-CA 3.32Å; E285-G305 WeakPolarHBondContact OE2-CA 3.32Å; T302-G305 CarbonylContact C-O 3.48Å; T302-G305 VanDerWaalsContact C-O 3.31Å; T302-G305 VanDerWaalsContact CA-O 3.31Å; T302-G305 WeakPolarHBondContact CA-O 3.36Å; T302-G305 PolarHBondContact N-O 3.15Å; T302-G305 CarbonylContact O-C 3.58Å; T302-G305 PolarHBondContact O-N 2.94Å; T302-G305 VanDerWaalsContact O-N 3.11Å; T302-G305 PolarHBondContact OG1-O 3.22Å |
| 306 | F | 92.3 | Very high | 88.8 | Confident | 58 Ų | 58 | 61.4 Ų | 61.4 | 25% | 0.254 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 160.5 | -179.3 | 64.9 | -80.7 | 0 | 0 | 0 | 111.8 | E285 N291 N292 I300 C308 | E285-F306 HydrophobicContact CB-CB 4.32Å; E285-F306 HydrophobicContact CB-CD1 3.51Å; E285-F306 HydrophobicContact CB-CE1 4.13Å; E285-F306 HydrophobicContact CB-CG 4.07Å; E285-F306 HydrophobicContact CG-CD1 3.71Å; E285-F306 HydrophobicContact CG-CE1 4.22Å; N291-F306 HydrophobicContact CB-CD1 4.38Å; N291-F306 HydrophobicContact CB-CD2 3.58Å; N291-F306 HydrophobicContact CB-CE1 4.33Å; N291-F306 HydrophobicContact CB-CE2 3.54Å; N291-F306 HydrophobicContact CB-CG 4.03Å; N291-F306 HydrophobicContact CB-CZ 3.94Å; N292-F306 VanDerWaalsContact OD1-CE2 3.29Å; N292-F306 WeakPolarHBondContact OD1-CE2 3.29Å; N292-F306 WeakPolarHBondContact OD1-CZ 2.99Å; I300-F306 CarbonylContact O-C 3.56Å; I300-F306 WeakPolarHBondContact O-CA 3.4Å; F306-C308 VanDerWaalsContact CE2-SG 3.59Å |
| 307 | Q | 91.6 | Very high | 88.4 | Confident | 76 Ų | 76 | 68.1 Ų | 68.1 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.5 | 172.6 | -69.1 | -126.6 | 0.5 | 0 | 0 | 110.9 | I300 T302 V309 F441 | I300-Q307 PolarHBondContact N-O 3.5Å; I300-Q307 PolarHBondContact O-N 2.03Å; T302-Q307 HydrophobicContact CG2-CG 4.03Å; Q307-V309 HydrophobicContact CB-CG1 4.28Å; Q307-F441 HydrophobicContact CB-CE1 4.41Å; Q307-F441 HydrophobicContact CB-CE2 4.22Å; Q307-F441 HydrophobicContact CB-CZ 3.97Å; Q307-F441 HydrophobicContact CG-CD1 4.17Å; Q307-F441 HydrophobicContact CG-CE1 3.9Å; Q307-F441 HydrophobicContact CG-CE2 4.3Å; Q307-F441 HydrophobicContact CG-CZ 3.95Å |
| 308 | C | 92.8 | Very high | 87.7 | Confident | 37 Ų | 37 | 70.7 Ų | 70.7 | 25% | 0.25 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 108.2 | 171.3 | -55.6 | 0 | 0 | 0 | 0 | 109.2 | C293 Q297 M298 F306 | C293-C308 WeakPolarHBondContact CA-SG 3.48Å; C293-C308 HydrophobicContact CB-CB 3.79Å; C293-C308 WeakPolarHBondContact CB-SG 3.09Å; C293-C308 VanDerWaalsContact SG-CA 3.54Å; C293-C308 WeakPolarHBondContact SG-CB 2.99Å; C293-C308 CovalentContact SG-SG 2.03Å; C293-C308 PolarHBondContact SG-SG 3.27Å; Q297-C308 HydrophobicContact CB-CB 4.19Å; Q297-C308 HydrophobicContact CG-CB 4.47Å; M298-C308 WeakPolarHBondContact O-CA 3.42Å; F306-C308 VanDerWaalsContact CE2-SG 3.59Å |
| 309 | V | 91.3 | Very high | 87.1 | Confident | 15 Ų | 15 | 67.6 Ų | 67.6 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 135.7 | -176.3 | -58.2 | 0 | 0 | 0 | 0 | 110.6 | M298 I300 Q307 Y352 F441 | M298-V309 HydrophobicContact CB-CG2 3.99Å; M298-V309 PolarHBondContact N-O 2.6Å; M298-V309 PolarHBondContact O-N 3.03Å; I300-V309 HydrophobicContact CD1-CG2 4.25Å; I300-V309 HydrophobicContact CG1-CG1 4.28Å; I300-V309 HydrophobicContact CG1-CG2 3.63Å; Q307-V309 HydrophobicContact CB-CG1 4.28Å; V309-Y352 HydrophobicContact CB-CD1 4.48Å; V309-Y352 HydrophobicContact CB-CE1 3.83Å; V309-Y352 HydrophobicContact CB-CE2 4.25Å; V309-Y352 HydrophobicContact CG1-CD1 4Å; V309-Y352 HydrophobicContact CG1-CE1 3.67Å; V309-Y352 HydrophobicContact CG2-CD1 4.34Å; V309-Y352 HydrophobicContact CG2-CD2 3.98Å; V309-Y352 HydrophobicContact CG2-CE1 3.95Å; V309-Y352 HydrophobicContact CG2-CE2 3.53Å; V309-Y352 HydrophobicContact CG2-CG 4.37Å; V309-F441 HydrophobicContact CG1-CZ 4.23Å |
| 310 | R | 89.3 | Confident | 86.8 | Confident | 130 Ų | 130 | 70.5 Ų | 70.5 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | trans | -107.7 | 130.6 | 171 | -173.8 | -175.2 | -70.3 | 160 | 1.3 | 108.8 | D296 Q297 D312 | D296-R310 IonicContact OD2-CZ 3.81Å; D296-R310 IonicContact OD2-NE 3.87Å; D296-R310 PolarHBondContact OD2-NE 2.89Å; D296-R310 IonicContact OD2-NH2 3.72Å; D296-R310 PolarHBondContact OD2-NH2 2.98Å; Q297-R310 HydrophobicContact CG-CB 4.42Å; R310-D312 VanDerWaalsContact CD-OD1 3.27Å; R310-D312 WeakPolarHBondContact CD-OD1 3.41Å | ||
| 311 | V | 87.8 | Confident | 86.7 | Confident | 7 Ų | 7 | 70.4 Ų | 70.4 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | trans | -97.4 | 108.9 | 172 | 175.8 | 0 | 0 | 0 | 0 | 108.9 | K323 P326 L327 H350 Y352 | V311-K323 PolarHBondContact O-NZ 3.36Å; V311-P326 VanDerWaalsContact CB-O 3.26Å; V311-P326 WeakPolarHBondContact CB-O 3.45Å; V311-P326 VanDerWaalsContact CG2-O 3.3Å; V311-P326 WeakPolarHBondContact CG2-O 3.01Å; V311-L327 HydrophobicContact CG2-CD2 3.94Å; V311-H350 WeakPolarHBondContact CG1-ND1 3.49Å; V311-H350 HydrophobicContact CG2-CB 3.98Å; V311-Y352 HydrophobicContact CG2-CE2 4.33Å | ||
| 312 | D | 89.7 | Confident | 86.6 | Confident | 110 Ų | 110 | 71.2 Ų | 71.2 | 59% | 0.588 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -101 | 126.7 | 175.1 | -67.3 | -42.5 | 0 | 0 | 0 | 110 | R310 | R310-D312 VanDerWaalsContact CD-OD1 3.27Å; R310-D312 WeakPolarHBondContact CD-OD1 3.41Å |
| 313 | C | 88.9 | Confident | 86.6 | Confident | 32 Ų | 32 | 75.1 Ų | 75.1 | 22% | 0.216 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -75 | 129.2 | 176.5 | -63 | 0 | 0 | 0 | 0 | 110.4 | K323 C329 | C313-K323 VanDerWaalsContact SG-CA 3.57Å; C313-C329 WeakPolarHBondContact CA-SG 3.32Å; C313-C329 HydrophobicContact CB-CB 3.8Å; C313-C329 WeakPolarHBondContact CB-SG 3.43Å; C313-C329 WeakPolarHBondContact SG-CB 3.43Å; C313-C329 CovalentContact SG-SG 2.04Å; C313-C329 PolarHBondContact SG-SG 3.36Å |
| 314 | P | 87 | Confident | 86.6 | Confident | 44 Ų | 44 | 74.1 Ų | 74.1 | 29% | 0.286 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 141.9 | -175.5 | 25.5 | -31.6 | 0 | 0 | 0 | 111 | I316 Y321 I348 | P314-I316 HydrophobicContact CB-CG1 4.4Å; P314-Y321 HydrophobicContact CG-CD2 4.45Å; P314-Y321 WeakPolarHBondContact O-CD2 3.21Å; P314-I348 HydrophobicContact CG-CD1 3.33Å |
| 315 | R | 84.7 | Confident | 86.7 | Confident | 248 Ų | 248 | 75 Ų | 75 | 94% | 0.936 | 37% | 0.37 | S | S | * | . | trans | -99.2 | 95.2 | 173 | -65 | -174.2 | -179 | 170.6 | 0.9 | 108.7 | ||||
| 316 | I | 76.5 | Confident | 86.5 | Confident | 71 Ų | 71 | 78.3 Ų | 78.3 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | B | Isolated β-bridge | trans | -90.2 | 148.2 | 178.9 | -61.2 | 178 | 0 | 0 | 0 | 108.5 | P314 N318 S319 Y321 | P314-I316 HydrophobicContact CB-CG1 4.4Å; I316-N318 PolarHBondContact O-N 3.2Å; I316-S319 VanDerWaalsContact CB-OG 3.31Å; I316-S319 WeakPolarHBondContact CB-OG 3.15Å; I316-S319 WeakPolarHBondContact CG2-OG 3.36Å; I316-S319 PolarHBondContact O-N 3.08Å; I316-Y321 HydrophobicContact CB-CE2 4.4Å; I316-Y321 HydrophobicContact CD1-CE2 3.79Å; I316-Y321 HydrophobicContact CG1-CE2 4.16Å |
| 317 | R | 75.9 | Confident | 86.3 | Confident | 222 Ų | 222 | 77.6 Ų | 77.6 | 84% | 0.838 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 129.8 | 175.5 | -75 | -173 | 179.3 | -172 | -0 | 109.4 | S319 | R317-S319 PolarHBondContact O-N 3.09Š|
| 318 | N | 75.8 | Confident | 86.3 | Confident | 112 Ų | 112 | 78.5 Ų | 78.5 | 60% | 0.599 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 12.7 | 178.2 | -57.8 | -21.9 | 0 | 0 | 0 | 115.9 | I316 N338 | I316-N318 PolarHBondContact O-N 3.2Å; N318-N338 WeakPolarHBondContact CB-ND2 3.31Å |
| 319 | S | 78 | Confident | 86.2 | Confident | 7 Ų | 7 | 76.7 Ų | 76.7 | 5% | 0.049 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -141.4 | 136.8 | 168.9 | 60.2 | 0 | 0 | 0 | 0 | 111.4 | I316 R317 | I316-S319 VanDerWaalsContact CB-OG 3.31Å; I316-S319 WeakPolarHBondContact CB-OG 3.15Å; I316-S319 WeakPolarHBondContact CG2-OG 3.36Å; I316-S319 PolarHBondContact O-N 3.08Å; R317-S319 PolarHBondContact O-N 3.09Å |
| 320 | T | 85.3 | Confident | 86.2 | Confident | 90 Ų | 90 | 79.4 Ų | 79.4 | 55% | 0.552 | 39% | 0.387 | S | S | * | . | trans | -113.2 | 140.3 | 177.8 | 48.1 | 0 | 0 | 0 | 0 | 109.4 | N332 | T320-N332 PolarHBondContact O-N 3.4Å; T320-N332 PolarHBondContact OG1-ND2 3.43Å | ||
| 321 | Y | 89.8 | Confident | 86.3 | Confident | 25 Ų | 25 | 75.5 Ų | 75.5 | 10% | 0.098 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 137.9 | 177.9 | -70.3 | -99.2 | 0 | 0 | 0 | 109.4 | P314 I316 C329 E330 R331 P345 I348 | P314-Y321 HydrophobicContact CG-CD2 4.45Å; P314-Y321 WeakPolarHBondContact O-CD2 3.21Å; I316-Y321 HydrophobicContact CB-CE2 4.4Å; I316-Y321 HydrophobicContact CD1-CE2 3.79Å; I316-Y321 HydrophobicContact CG1-CE2 4.16Å; Y321-C329 HydrophobicContact CD1-CB 4.34Å; Y321-E330 CarbonylContact C-O 3.31Å; Y321-E330 VanDerWaalsContact CA-O 3.29Å; Y321-E330 WeakPolarHBondContact CA-O 3.47Å; Y321-R331 HydrophobicContact CD1-CB 3.91Å; Y321-R331 HydrophobicContact CD1-CG 4.48Å; Y321-R331 HydrophobicContact CE1-CB 3.54Å; Y321-R331 HydrophobicContact CE1-CG 4.03Å; Y321-R331 HydrophobicContact CE2-CG 4.2Å; Y321-P345 WeakPolarHBondContact CE1-O 3.31Å; Y321-P345 WeakPolarHBondContact OH-CD 3.28Å; Y321-P345 PolarHBondContact OH-O 3.22Å; Y321-I348 HydrophobicContact CD1-CD1 4.47Å; Y321-I348 HydrophobicContact CE1-CD1 3.97Å; Y321-I348 HydrophobicContact CE1-CG1 4.15Å |
| 322 | S | 89.7 | Confident | 86.1 | Confident | 62 Ų | 62 | 78.6 Ų | 78.6 | 43% | 0.434 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 142.9 | 171 | -173 | 0 | 0 | 0 | 0 | 109.9 | T324 C329 E330 | S322-T324 PolarHBondContact O-N 3.32Å; S322-C329 CarbonylContact O-C 3.59Å; S322-C329 VanDerWaalsContact O-CA 3.31Å; S322-C329 WeakPolarHBondContact O-CA 2.99Å; S322-E330 PolarHBondContact N-O 3.43Å; S322-E330 PolarHBondContact O-N 2.04Å |
| 323 | K | 88.6 | Confident | 85.9 | Confident | 99 Ų | 99 | 79.4 Ų | 79.4 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 108.7 | 175.7 | -172.5 | 170.5 | -177.4 | 165 | 0 | 108.6 | V311 C313 S325 P326 | V311-K323 PolarHBondContact O-NZ 3.36Å; C313-K323 VanDerWaalsContact SG-CA 3.57Å; K323-S325 WeakPolarHBondContact CE-O 3.41Å; K323-S325 WeakPolarHBondContact CG-O 3.01Å; K323-P326 WeakPolarHBondContact CE-O 3.33Å; K323-P326 PolarHBondContact NZ-O 3.27Å |
| 324 | T | 87.3 | Confident | 85.6 | Confident | 71 Ų | 71 | 79.7 Ų | 79.7 | 44% | 0.436 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -21.1 | -179.3 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | S322 R328 E330 | S322-T324 PolarHBondContact O-N 3.32Å; T324-R328 PolarHBondContact N-O 2.74Å; T324-R328 PolarHBondContact OG1-O 3.42Å; T324-E330 HydrophobicContact CG2-CB 3.76Å; T324-E330 HydrophobicContact CG2-CG 3.85Å |
| 325 | S | 87.6 | Confident | 85.4 | Confident | 46 Ų | 46 | 81.4 Ų | 81.4 | 32% | 0.322 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 171.2 | 171.4 | 89.4 | 0 | 0 | 0 | 0 | 110.7 | K323 L327 R328 | K323-S325 WeakPolarHBondContact CE-O 3.41Å; K323-S325 WeakPolarHBondContact CG-O 3.01Å; S325-L327 PolarHBondContact O-N 3.21Å; S325-L327 PolarHBondContact OG-N 3.11Å; S325-R328 PolarHBondContact N-O 3.36Å; S325-R328 PolarHBondContact O-N 2.93Å; S325-R328 WeakPolarHBondContact OG-CB 3.06Å; S325-R328 PolarHBondContact OG-N 3.19Å |
| 326 | P | 85.9 | Confident | 85 | Confident | 82 Ų | 82 | 76.5 Ų | 76.5 | 53% | 0.532 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -28.1 | 175 | -28.5 | 36.9 | 0 | 0 | 0 | 114 | M298 V311 K323 | M298-P326 HydrophobicContact SD-CB 4.45Å; V311-P326 VanDerWaalsContact CB-O 3.26Å; V311-P326 WeakPolarHBondContact CB-O 3.45Å; V311-P326 VanDerWaalsContact CG2-O 3.3Å; V311-P326 WeakPolarHBondContact CG2-O 3.01Å; K323-P326 WeakPolarHBondContact CE-O 3.33Å; K323-P326 PolarHBondContact NZ-O 3.27Å |
| 327 | L | 89.2 | Confident | 85.2 | Confident | 44 Ų | 44 | 80.1 Ų | 80.1 | 23% | 0.23 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -2.6 | -173.8 | -67.5 | -178.8 | 0 | 0 | 0 | 114 | M298 V311 S325 S349 H350 Y352 | M298-L327 HydrophobicContact CE-CD1 4.41Å; M298-L327 HydrophobicContact SD-CD1 4.35Å; M298-L327 HydrophobicContact SD-CD2 3.64Å; M298-L327 HydrophobicContact SD-CG 4Å; V311-L327 HydrophobicContact CG2-CD2 3.94Å; S325-L327 PolarHBondContact O-N 3.21Å; S325-L327 PolarHBondContact OG-N 3.11Å; L327-S349 CarbonylContact O-C 3.52Å; L327-S349 WeakPolarHBondContact O-CA 3.26Å; L327-H350 WeakPolarHBondContact CB-O 3.35Å; L327-H350 HydrophobicContact CD2-CB 4.45Å; L327-H350 PolarHBondContact O-N 3.01Å; L327-Y352 HydrophobicContact CD2-CD2 3.93Å; L327-Y352 HydrophobicContact CD2-CE2 3.54Å |
| 328 | R | 90.8 | Very high | 85.4 | Confident | 94 Ų | 94 | 71.6 Ų | 71.6 | 36% | 0.355 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 136.5 | -169.9 | -164.7 | 174.3 | -176.5 | -134.6 | -9.4 | 112.6 | T324 S325 E330 S347 | T324-R328 PolarHBondContact N-O 2.74Å; T324-R328 PolarHBondContact OG1-O 3.42Å; S325-R328 PolarHBondContact N-O 3.36Å; S325-R328 PolarHBondContact O-N 2.93Å; S325-R328 WeakPolarHBondContact OG-CB 3.06Å; S325-R328 PolarHBondContact OG-N 3.19Å; R328-E330 IonicContact CZ-OE1 3.21Å; R328-E330 IonicContact NE-OE1 2.62Å; R328-E330 IonicContact NH1-OE1 3.01Å; R328-E330 PolarHBondContact NH1-OE1 3.16Å; R328-E330 IonicContact NH2-OE1 2.98Å; R328-E330 PolarHBondContact NH2-OE1 3.34Å; R328-E330 VanDerWaalsContact NH2-OE1 3.13Å; R328-S347 PolarHBondContact NH2-OG 2.97Å |
| 329 | C | 91.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131 | 173.3 | -61.7 | 0 | 0 | 0 | 0 | 109.3 | C313 Y321 S322 S347 I348 | C313-C329 WeakPolarHBondContact CA-SG 3.32Å; C313-C329 HydrophobicContact CB-CB 3.8Å; C313-C329 WeakPolarHBondContact CB-SG 3.43Å; C313-C329 WeakPolarHBondContact SG-CB 3.43Å; C313-C329 CovalentContact SG-SG 2.04Å; C313-C329 PolarHBondContact SG-SG 3.36Å; Y321-C329 HydrophobicContact CD1-CB 4.34Å; S322-C329 CarbonylContact O-C 3.59Å; S322-C329 VanDerWaalsContact O-CA 3.31Å; S322-C329 WeakPolarHBondContact O-CA 2.99Å; C329-S347 CarbonylContact O-C 3.54Å; C329-S347 WeakPolarHBondContact O-CA 3.19Å; C329-S347 WeakPolarHBondContact O-CB 3.48Å; C329-I348 PolarHBondContact N-O 3.43Å; C329-I348 PolarHBondContact O-N 2.84Å |
| 330 | E | 91.4 | Very high | 85.8 | Confident | 71 Ų | 71 | 78 Ų | 78 | 33% | 0.332 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 141.4 | 174.5 | -70.6 | -176.3 | 175.2 | 0 | 0 | 110.5 | Y321 S322 T324 R328 | Y321-E330 CarbonylContact C-O 3.31Å; Y321-E330 VanDerWaalsContact CA-O 3.29Å; Y321-E330 WeakPolarHBondContact CA-O 3.47Å; S322-E330 PolarHBondContact N-O 3.43Å; S322-E330 PolarHBondContact O-N 2.04Å; T324-E330 HydrophobicContact CG2-CB 3.76Å; T324-E330 HydrophobicContact CG2-CG 3.85Å; R328-E330 IonicContact CZ-OE1 3.21Å; R328-E330 IonicContact NE-OE1 2.62Å; R328-E330 IonicContact NH1-OE1 3.01Å; R328-E330 PolarHBondContact NH1-OE1 3.16Å; R328-E330 IonicContact NH2-OE1 2.98Å; R328-E330 PolarHBondContact NH2-OE1 3.34Å; R328-E330 VanDerWaalsContact NH2-OE1 3.13Å |
| 331 | R | 90.4 | Very high | 85.7 | Confident | 48 Ų | 48 | 74 Ų | 74 | 18% | 0.181 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 138.1 | 179.4 | -164.6 | -170.8 | 60.8 | -124.3 | -3.4 | 109.7 | Y321 C334 A344 P345 N346 | Y321-R331 HydrophobicContact CD1-CB 3.91Å; Y321-R331 HydrophobicContact CD1-CG 4.48Å; Y321-R331 HydrophobicContact CE1-CB 3.54Å; Y321-R331 HydrophobicContact CE1-CG 4.03Å; Y321-R331 HydrophobicContact CE2-CG 4.2Å; R331-C334 PolarHBondContact NE-SG 2.02Å; R331-A344 PolarHBondContact NH1-O 2.96Å; R331-P345 PolarHBondContact NH1-O 3.39Å; R331-N346 WeakPolarHBondContact CB-O 3.17Å; R331-N346 VanDerWaalsContact CZ-OD1 3.29Å; R331-N346 PolarHBondContact N-O 3.08Å; R331-N346 VanDerWaalsContact NH1-CA 3.34Å; R331-N346 PolarHBondContact NH1-OD1 2.77Å; R331-N346 PolarHBondContact NH2-OD1 2.91Å |
| 332 | N | 84.8 | Confident | 85.3 | Confident | 72 Ų | 72 | 75.8 Ų | 75.8 | 39% | 0.385 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 154.3 | 168.8 | -69.6 | -29.6 | 0 | 0 | 0 | 111.5 | T320 C334 | T320-N332 PolarHBondContact O-N 3.4Å; T320-N332 PolarHBondContact OG1-ND2 3.43Å; N332-C334 PolarHBondContact O-N 2.95Å |
| 333 | P | 85.2 | Confident | 84.9 | Confident | 128 Ų | 128 | 78.8 Ų | 78.8 | 83% | 0.831 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -53.2 | 134.9 | 176.6 | -26.5 | 34.7 | 0 | 0 | 0 | 112.1 | ||
| 334 | C | 82.4 | Confident | 84.9 | Confident | 38 Ų | 38 | 74.5 Ų | 74.5 | 26% | 0.257 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 143.3 | 177.1 | -63.9 | 0 | 0 | 0 | 0 | 110.7 | R331 N332 C341 | R331-C334 PolarHBondContact NE-SG 2.02Å; N332-C334 PolarHBondContact O-N 2.95Å; C334-C341 VanDerWaalsContact CA-SG 3.56Å; C334-C341 HydrophobicContact CB-CB 3.73Å; C334-C341 WeakPolarHBondContact CB-SG 3.37Å; C334-C341 WeakPolarHBondContact SG-CB 2.99Å; C334-C341 PolarHBondContact SG-O 3.37Å; C334-C341 VanDerWaalsContact SG-O 3.34Å; C334-C341 CovalentContact SG-SG 2.05Å; C334-C341 PolarHBondContact SG-SG 3.05Å |
| 335 | S | 82.3 | Confident | 85.1 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 56% | 0.559 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 145.5 | 164.2 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | D337 N338 | S335-D337 PolarHBondContact O-N 2.84Å; S335-D337 VanDerWaalsContact O-N 3.16Å; S335-N338 PolarHBondContact O-N 2.89Å |
| 336 | V | 75.8 | Confident | 85.2 | Confident | 144 Ų | 144 | 71.3 Ų | 71.3 | 87% | 0.873 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -32.6 | -174.6 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 337 | D | 80.7 | Confident | 85.5 | Confident | 147 Ų | 147 | 67.8 Ų | 67.8 | 79% | 0.786 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -10.8 | -177.3 | -56 | -43.5 | 0 | 0 | 0 | 113.7 | S335 K339 | S335-D337 PolarHBondContact O-N 2.84Å; S335-D337 VanDerWaalsContact O-N 3.16Å; D337-K339 PolarHBondContact O-N 3.36Å; D337-K339 VanDerWaalsContact O-N 3.16Å |
| 338 | N | 81.4 | Confident | 85.6 | Confident | 44 Ų | 44 | 66.4 Ų | 66.4 | 24% | 0.235 | 36% | 0.362 | C | S | . | . | trans | -93.9 | 75.7 | -170.5 | -158.7 | -31 | 0 | 0 | 0 | 112.4 | N318 S335 V340 C341 S342 | N318-N338 WeakPolarHBondContact CB-ND2 3.31Å; S335-N338 PolarHBondContact O-N 2.89Å; N338-V340 PolarHBondContact O-N 3.2Å; N338-V340 VanDerWaalsContact O-N 3.14Å; N338-C341 HydrophobicContact CB-CB 3.97Å; N338-C341 WeakPolarHBondContact O-CB 3.48Å; N338-C341 PolarHBondContact O-N 3.43Å; N338-C341 PolarHBondContact OD1-N 2.03Å; N338-C341 VanDerWaalsContact OD1-N 3.13Å; N338-S342 PolarHBondContact O-N 3.25Å | ||
| 339 | K | 79.8 | Confident | 85.6 | Confident | 161 Ų | 161 | 62.9 Ų | 62.9 | 70% | 0.7 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -56 | -29.1 | 178.6 | -70.8 | -174 | 179 | 179 | 0 | 113.9 | D337 S342 Q343 | D337-K339 PolarHBondContact O-N 3.36Å; D337-K339 VanDerWaalsContact O-N 3.16Å; K339-S342 WeakPolarHBondContact CA-OG 3.45Å; K339-S342 PolarHBondContact O-OG 3.33Å; K339-Q343 VanDerWaalsContact O-CG 3.3Å; K339-Q343 WeakPolarHBondContact O-CG 3.4Å; K339-Q343 PolarHBondContact O-N 3.04Å |
| 340 | V | 80.8 | Confident | 85.5 | Confident | 91 Ų | 91 | 64.2 Ų | 64.2 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -71 | -41 | 177.9 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | N338 Q343 A344 | N338-V340 PolarHBondContact O-N 3.2Å; N338-V340 VanDerWaalsContact O-N 3.14Å; V340-Q343 PolarHBondContact O-N 3.07Å; V340-A344 PolarHBondContact O-N 3.19Å |
| 341 | C | 84.2 | Confident | 85.4 | Confident | 6 Ų | 6 | 64.8 Ų | 64.8 | 4% | 0.041 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 174.8 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | C334 N338 Q343 A344 | C334-C341 VanDerWaalsContact CA-SG 3.56Å; C334-C341 HydrophobicContact CB-CB 3.73Å; C334-C341 WeakPolarHBondContact CB-SG 3.37Å; C334-C341 WeakPolarHBondContact SG-CB 2.99Å; C334-C341 PolarHBondContact SG-O 3.37Å; C334-C341 VanDerWaalsContact SG-O 3.34Å; C334-C341 CovalentContact SG-SG 2.05Å; C334-C341 PolarHBondContact SG-SG 3.05Å; N338-C341 HydrophobicContact CB-CB 3.97Å; N338-C341 WeakPolarHBondContact O-CB 3.48Å; N338-C341 PolarHBondContact O-N 3.43Å; N338-C341 PolarHBondContact OD1-N 2.03Å; N338-C341 VanDerWaalsContact OD1-N 3.13Å; C341-Q343 PolarHBondContact O-N 2.71Å; C341-A344 VanDerWaalsContact O-CB 3.29Å; C341-A344 WeakPolarHBondContact O-CB 3.03Å; C341-A344 PolarHBondContact O-N 2.67Å |
| 342 | S | 80.6 | Confident | 85.3 | Confident | 64 Ų | 64 | 64.7 Ų | 64.7 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.2 | -22.1 | 179.6 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | N338 K339 | N338-S342 PolarHBondContact O-N 3.25Å; K339-S342 WeakPolarHBondContact CA-OG 3.45Å; K339-S342 PolarHBondContact O-OG 3.33Å |
| 343 | Q | 83 | Confident | 85.3 | Confident | 124 Ų | 124 | 64.3 Ų | 64.3 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -85.7 | -14.6 | 175.1 | -71.5 | 175.2 | -0.4 | 0 | 0 | 113.2 | K339 V340 C341 R433 | K339-Q343 VanDerWaalsContact O-CG 3.3Å; K339-Q343 WeakPolarHBondContact O-CG 3.4Å; K339-Q343 PolarHBondContact O-N 3.04Å; V340-Q343 PolarHBondContact O-N 3.07Å; C341-Q343 PolarHBondContact O-N 2.71Å; Q343-R433 WeakPolarHBondContact O-CD 3.22Å; Q343-R433 PolarHBondContact O-NH1 3.35Å |
| 344 | A | 87.4 | Confident | 85.3 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 8% | 0.083 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -69.3 | 160.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R331 V340 C341 | R331-A344 PolarHBondContact NH1-O 2.96Å; V340-A344 PolarHBondContact O-N 3.19Å; C341-A344 VanDerWaalsContact O-CB 3.29Å; C341-A344 WeakPolarHBondContact O-CB 3.03Å; C341-A344 PolarHBondContact O-N 2.67Å |
| 345 | P | 91.2 | Very high | 85.2 | Confident | 8 Ų | 8 | 59.5 Ų | 59.5 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | trans | -60.2 | 138.2 | 174.3 | -21.6 | 32 | 0 | 0 | 0 | 112.2 | Y321 R331 I348 R433 I435 | Y321-P345 WeakPolarHBondContact CE1-O 3.31Å; Y321-P345 WeakPolarHBondContact OH-CD 3.28Å; Y321-P345 PolarHBondContact OH-O 3.22Å; R331-P345 PolarHBondContact NH1-O 3.39Å; P345-I348 HydrophobicContact CB-CD1 4.47Å; P345-I348 HydrophobicContact CB-CG1 4.09Å; P345-R433 CarbonylContact C-O 3.57Å; P345-R433 WeakPolarHBondContact CA-O 3.39Å; P345-I435 HydrophobicContact CB-CD1 4.1Å; P345-I435 HydrophobicContact CB-CG1 3.99Å; P345-I435 HydrophobicContact CG-CD1 3.29Å; P345-I435 HydrophobicContact CG-CG1 3.72Å | ||
| 346 | N | 90.7 | Very high | 85 | Confident | 41 Ų | 41 | 56.1 Ų | 56.1 | 22% | 0.219 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -67.9 | -42.7 | 172.7 | -70.6 | -0.8 | 0 | 0 | 0 | 111.4 | R331 G432 R433 Y434 | R331-N346 WeakPolarHBondContact CB-O 3.17Å; R331-N346 VanDerWaalsContact CZ-OD1 3.29Å; R331-N346 PolarHBondContact N-O 3.08Å; R331-N346 VanDerWaalsContact NH1-CA 3.34Å; R331-N346 PolarHBondContact NH1-OD1 2.77Å; R331-N346 PolarHBondContact NH2-OD1 2.91Å; N346-G432 WeakPolarHBondContact ND2-CA 3.24Å; N346-R433 WeakPolarHBondContact CB-O 3.26Å; N346-R433 PolarHBondContact N-O 2.82Å; N346-Y434 HydrophobicContact CB-CD1 4.16Å; N346-Y434 HydrophobicContact CB-CE1 3.97Å |
| 347 | S | 91 | Very high | 84.7 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 153.9 | 173.5 | 74.2 | 0 | 0 | 0 | 0 | 111.9 | R328 C329 Y434 I435 | R328-S347 PolarHBondContact NH2-OG 2.97Å; C329-S347 CarbonylContact O-C 3.54Å; C329-S347 WeakPolarHBondContact O-CA 3.19Å; C329-S347 WeakPolarHBondContact O-CB 3.48Å; S347-Y434 WeakPolarHBondContact OG-CD1 3.33Å; S347-I435 PolarHBondContact O-N 2.89Å |
| 348 | I | 91.6 | Very high | 84 | Confident | 16 Ų | 16 | 48.7 Ų | 48.7 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 120.3 | 176.7 | -57.8 | 175.1 | 0 | 0 | 0 | 107.6 | P314 Y321 C329 P345 I435 | P314-I348 HydrophobicContact CG-CD1 3.33Å; Y321-I348 HydrophobicContact CD1-CD1 4.47Å; Y321-I348 HydrophobicContact CE1-CD1 3.97Å; Y321-I348 HydrophobicContact CE1-CG1 4.15Å; C329-I348 PolarHBondContact N-O 3.43Å; C329-I348 PolarHBondContact O-N 2.84Å; P345-I348 HydrophobicContact CB-CD1 4.47Å; P345-I348 HydrophobicContact CB-CG1 4.09Å; I348-I435 CarbonylContact C-O 3.59Å; I348-I435 VanDerWaalsContact CA-O 3.27Å; I348-I435 WeakPolarHBondContact CA-O 3.12Å; I348-I435 HydrophobicContact CG1-CB 4.29Å |
| 349 | S | 91 | Very high | 82.9 | Confident | 20 Ų | 20 | 52 Ų | 52 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 148.8 | 176.8 | 54.5 | 0 | 0 | 0 | 0 | 111.2 | L327 H351 I435 T436 K437 | L327-S349 CarbonylContact O-C 3.52Å; L327-S349 WeakPolarHBondContact O-CA 3.26Å; S349-H351 PolarHBondContact OG-NE2 3.15Å; S349-I435 PolarHBondContact N-O 3.22Å; S349-T436 CarbonylContact O-C 3.56Å; S349-T436 WeakPolarHBondContact O-CA 3.31Å; S349-T436 PolarHBondContact OG-OG1 2.95Å; S349-K437 PolarHBondContact O-N 3.27Å |
| 350 | H | 90.5 | Very high | 81.7 | Confident | 27 Ų | 27 | 49.5 Ų | 49.5 | 13% | 0.125 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.3 | 178.5 | -63.7 | 75 | 0 | 0 | 0 | 108.8 | V311 L327 Y352 K437 | V311-H350 WeakPolarHBondContact CG1-ND1 3.49Å; V311-H350 HydrophobicContact CG2-CB 3.98Å; L327-H350 WeakPolarHBondContact CB-O 3.35Å; L327-H350 HydrophobicContact CD2-CB 4.45Å; L327-H350 PolarHBondContact O-N 3.01Å; H350-Y352 HydrophobicContact CB-CE2 4.18Å; H350-K437 CarbonylContact C-O 3.48Å; H350-K437 WeakPolarHBondContact CA-O 3.06Å |
| 351 | H | 88.2 | Confident | 80.5 | Confident | 84 Ų | 84 | 46.3 Ų | 46.3 | 39% | 0.389 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144.9 | -180 | -60.5 | -92.4 | 0 | 0 | 0 | 108.8 | S349 T436 K437 I438 T439 | S349-H351 PolarHBondContact OG-NE2 3.15Å; H351-T436 PolarHBondContact CD2-OG1 3.2Å; H351-T436 PolarHBondContact NE2-OG1 2.65Å; H351-K437 PolarHBondContact N-O 2.74Å; H351-I438 HydrophobicContact CB-CG1 4.26Å; H351-I438 CarbonylContact O-C 3.49Å; H351-I438 WeakPolarHBondContact O-CA 3.36Å; H351-T439 PolarHBondContact O-N 2.89Å |
| 352 | Y | 88.1 | Confident | 79.1 | Confident | 46 Ų | 46 | 48.9 Ų | 48.9 | 18% | 0.18 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131.5 | -177.6 | -57.8 | -84.6 | 0 | 0 | 0 | 108.8 | I300 V309 V311 L327 H350 T439 F441 | I300-Y352 HydrophobicContact CD1-CD2 4.02Å; I300-Y352 HydrophobicContact CD1-CG 4.21Å; I300-Y352 HydrophobicContact CG1-CD2 4.2Å; I300-Y352 HydrophobicContact CG1-CG 4.02Å; V309-Y352 HydrophobicContact CB-CD1 4.48Å; V309-Y352 HydrophobicContact CB-CE1 3.83Å; V309-Y352 HydrophobicContact CB-CE2 4.25Å; V309-Y352 HydrophobicContact CG1-CD1 4Å; V309-Y352 HydrophobicContact CG1-CE1 3.67Å; V309-Y352 HydrophobicContact CG2-CD1 4.34Å; V309-Y352 HydrophobicContact CG2-CD2 3.98Å; V309-Y352 HydrophobicContact CG2-CE1 3.95Å; V309-Y352 HydrophobicContact CG2-CE2 3.53Å; V309-Y352 HydrophobicContact CG2-CG 4.37Å; V311-Y352 HydrophobicContact CG2-CE2 4.33Å; L327-Y352 HydrophobicContact CD2-CD2 3.93Å; L327-Y352 HydrophobicContact CD2-CE2 3.54Å; H350-Y352 HydrophobicContact CB-CE2 4.18Å; Y352-T439 CarbonylContact C-O 3.46Å; Y352-T439 VanDerWaalsContact CA-O 3.3Å; Y352-T439 WeakPolarHBondContact CA-O 3.46Å; Y352-T439 HydrophobicContact CD1-CG2 4.13Å; Y352-T439 HydrophobicContact CE1-CG2 4.36Å; Y352-F441 AromaticContact CD1-CE2 3.96Å; Y352-F441 HydrophobicContact CD1-CE2 3.96Å; Y352-F441 HydrophobicContact CD1-CZ 4.09Å |
| 353 | L | 86.3 | Confident | 77.8 | Confident | 64 Ų | 64 | 56.1 Ų | 56.1 | 34% | 0.335 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 134.4 | -179.7 | -173.3 | 70.2 | 0 | 0 | 0 | 109.4 | V355 T439 M440 F441 | L353-V355 HydrophobicContact CD2-CG1 3.63Å; L353-V355 HydrophobicContact CG-CG1 3.84Å; L353-T439 PolarHBondContact N-O 3.17Å; L353-M440 HydrophobicContact CB-CG 4.15Å; L353-M440 HydrophobicContact CD2-CG 4.4Å; L353-M440 CarbonylContact O-C 3.57Å; L353-M440 VanDerWaalsContact O-CA 3.27Å; L353-M440 WeakPolarHBondContact O-CA 3.31Å; L353-F441 PolarHBondContact O-N 2.77Å |
| 354 | S | 84.9 | Confident | 76.6 | Confident | 31 Ų | 31 | 54.6 Ų | 54.6 | 22% | 0.217 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.6 | 168.7 | -165.8 | 0 | 0 | 0 | 0 | 109.7 | T302 Y303 F441 | T302-S354 WeakPolarHBondContact CA-OG 3.37Å; Y303-S354 WeakPolarHBondContact CD2-OG 3.11Å; Y303-S354 PolarHBondContact N-OG 3.24Å; S354-F441 WeakPolarHBondContact CA-O 3.4Å |
| 355 | V | 80.4 | Confident | 75.3 | Confident | 33 Ų | 33 | 55.9 Ų | 55.9 | 20% | 0.2 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 157.6 | -179.7 | -59.9 | 0 | 0 | 0 | 0 | 110.7 | L353 F441 I442 S443 | L353-V355 HydrophobicContact CD2-CG1 3.63Å; L353-V355 HydrophobicContact CG-CG1 3.84Å; V355-F441 PolarHBondContact N-O 2.93Å; V355-I442 HydrophobicContact CG2-CB 4.25Å; V355-I442 HydrophobicContact CG2-CD1 4.48Å; V355-I442 HydrophobicContact CG2-CG1 3.65Å; V355-I442 HydrophobicContact CG2-CG2 4.41Å; V355-I442 CarbonylContact O-C 3.41Å; V355-I442 VanDerWaalsContact O-CA 3.32Å; V355-I442 WeakPolarHBondContact O-CA 3.03Å; V355-S443 PolarHBondContact O-N 3.23Å |
| 356 | V | 77.8 | Confident | 74.2 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 6% | 0.055 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 141.8 | 178.8 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | Y303 N358 L359 Y445 E446 F447 | Y303-V356 HydrophobicContact CD2-CG2 4.17Å; Y303-V356 HydrophobicContact CE1-CG2 4.48Å; Y303-V356 HydrophobicContact CE2-CG2 3.93Å; V356-N358 PolarHBondContact O-N 3.16Å; V356-N358 VanDerWaalsContact O-N 3.11Å; V356-L359 HydrophobicContact CB-CD1 3.71Å; V356-L359 HydrophobicContact CB-CG 4Å; V356-L359 HydrophobicContact CG2-CD1 3.76Å; V356-L359 PolarHBondContact O-N 2.97Å; V356-Y445 WeakPolarHBondContact CG1-O 3.13Å; V356-E446 HydrophobicContact CG1-CB 4.4Å; V356-E446 HydrophobicContact CG1-CG 4.38Å; V356-F447 HydrophobicContact CG2-CD2 4.44Å |
| 357 | S | 69.8 | Low | 72.9 | Confident | 30 Ų | 30 | 64 Ų | 64 | 21% | 0.21 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -26.5 | -174.3 | 50.5 | 0 | 0 | 0 | 0 | 116.4 | S443 | S357-S443 WeakPolarHBondContact CB-O 3.4Å; S357-S443 PolarHBondContact N-O 2.87Å; S357-S443 PolarHBondContact OG-O 3.39Å |
| 358 | N | 65.5 | Low | 71.5 | Confident | 105 Ų | 105 | 65.4 Ų | 65.4 | 56% | 0.561 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 6.8 | -177 | -155.5 | 16.1 | 0 | 0 | 0 | 114.3 | V356 E446 | V356-N358 PolarHBondContact O-N 3.16Å; V356-N358 VanDerWaalsContact O-N 3.11Å; N358-E446 HydrophobicContact CB-CG 3.98Å; N358-E446 WeakPolarHBondContact CB-OE1 3.27Å; N358-E446 VanDerWaalsContact ND2-CD 3.3Å; N358-E446 PolarHBondContact ND2-OE1 3.25Å; N358-E446 PolarHBondContact ND2-OE2 3.47Å |
| 359 | L | 57.3 | Low | 69.7 | Low | 114 Ų | 114 | 68.2 Ų | 68.2 | 60% | 0.597 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -84.5 | 124.1 | 174.1 | -71.5 | 173 | 0 | 0 | 0 | 109.9 | V356 A361 | V356-L359 HydrophobicContact CB-CD1 3.71Å; V356-L359 HydrophobicContact CB-CG 4Å; V356-L359 HydrophobicContact CG2-CD1 3.76Å; V356-L359 PolarHBondContact O-N 2.97Å; L359-A361 PolarHBondContact O-N 2.71Å |
| 360 | S | 56.2 | Low | 67.9 | Low | 108 Ų | 108 | 68.5 Ų | 68.5 | 76% | 0.755 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 135.2 | 163.4 | 60.9 | 0 | 0 | 0 | 0 | 108.6 | ||
| 361 | A | 55 | Low | 66.2 | Low | 25 Ų | 25 | 76.2 Ų | 76.2 | 21% | 0.207 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 145.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L359 R363 M365 L406 | L359-A361 PolarHBondContact O-N 2.71Å; A361-R363 PolarHBondContact O-N 3.43Å; A361-M365 HydrophobicContact CB-CE 4.05Å; A361-L406 HydrophobicContact CB-CB 3.25Å; A361-L406 HydrophobicContact CB-CD2 4.42Å; A361-L406 HydrophobicContact CB-CG 4.43Å |
| 362 | P | 54.8 | Low | 64.9 | Low | 60 Ų | 60 | 74.2 Ų | 74.2 | 39% | 0.39 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 138.5 | 175 | -14.5 | 23.1 | 0 | 0 | 0 | 108 | T364 M365 | P362-T364 VanDerWaalsContact C-N 3.31Å; P362-T364 PolarHBondContact O-N 3.19Å; P362-M365 HydrophobicContact CB-CG 4.4Å; P362-M365 HydrophobicContact CG-CG 4.2Å |
| 363 | R | 52.9 | Low | 63.7 | Low | 215 Ų | 215 | 78.7 Ų | 78.7 | 81% | 0.811 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -51.2 | -59 | 174.7 | -71.5 | -175 | 179.5 | -169 | 0.8 | 107 | A361 Q403 | A361-R363 PolarHBondContact O-N 3.43Å; R363-Q403 WeakPolarHBondContact O-CG 3.41Å; R363-Q403 PolarHBondContact O-NE2 3.09Å |
| 364 | T | 57.8 | Low | 62.3 | Low | 93 Ų | 93 | 84 Ų | 84 | 57% | 0.571 | 44% | 0.443 | S | S | * | . | trans | -106.6 | 110.9 | 178.5 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | P362 Q403 | P362-T364 VanDerWaalsContact C-N 3.31Å; P362-T364 PolarHBondContact O-N 3.19Å; T364-Q403 HydrophobicContact CG2-CG 4.19Å | ||
| 365 | M | 60.3 | Low | 61.4 | Low | 36 Ų | 36 | 84.2 Ų | 84.2 | 18% | 0.177 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -84.8 | -27.2 | 176.7 | -70.1 | -155.7 | -118.6 | 0 | 0 | 114.7 | A361 P362 F392 L404 M440 | A361-M365 HydrophobicContact CB-CE 4.05Å; P362-M365 HydrophobicContact CB-CG 4.4Å; P362-M365 HydrophobicContact CG-CG 4.2Å; M365-F392 HydrophobicContact CE-CD1 3.96Å; M365-F392 HydrophobicContact CE-CE1 3.97Å; M365-L404 HydrophobicContact CB-CB 4.02Å; M365-L404 VanDerWaalsContact CE-C 3.47Å; M365-L404 HydrophobicContact CE-CB 3.64Å; M365-L404 HydrophobicContact CE-CD2 3.61Å; M365-L404 HydrophobicContact CE-CG 3.51Å; M365-L404 WeakPolarHBondContact CE-O 3.15Å; M365-L404 HydrophobicContact CG-CB 4.26Å; M365-L404 WeakPolarHBondContact CG-O 3.42Å; M365-L404 HydrophobicContact SD-CB 4.15Å; M365-L404 HydrophobicContact SD-CD2 3.87Å; M365-L404 HydrophobicContact SD-CG 4.28Å; M365-M440 HydrophobicContact CE-SD 4.45Å; M365-M440 HydrophobicContact SD-SD 4.01Å |
| 366 | F | 67.2 | Low | 61.1 | Low | 36 Ų | 36 | 84 Ų | 84 | 16% | 0.158 | 45% | 0.448 | C | S | . | . | trans | -151 | 151.4 | 172.5 | 60.6 | -90.2 | 0 | 0 | 0 | 110.5 | V368 F380 L404 V420 M422 I438 | F366-V368 HydrophobicContact CD2-CG2 4.34Å; F366-F380 HydrophobicContact CE2-CD1 4.24Å; F366-F380 AromaticContact CE2-CE1 3.98Å; F366-F380 HydrophobicContact CE2-CE1 3.98Å; F366-F380 HydrophobicContact CZ-CD1 4.49Å; F366-L404 HydrophobicContact CD1-CB 4.37Å; F366-L404 HydrophobicContact CE1-CB 3.88Å; F366-V420 HydrophobicContact CE1-CG2 4.05Å; F366-V420 HydrophobicContact CZ-CB 4.17Å; F366-V420 HydrophobicContact CZ-CG1 3.94Å; F366-V420 HydrophobicContact CZ-CG2 4.11Å; F366-M422 HydrophobicContact CE2-SD 4.4Å; F366-I438 HydrophobicContact CD1-CD1 3.49Å; F366-I438 VanDerWaalsContact CD1-CD1 3.49Å; F366-I438 HydrophobicContact CE1-CD1 3.74Å; F366-I438 HydrophobicContact CG-CD1 4.47Å | ||
| 367 | R | 63.6 | Low | 61 | Low | 185 Ų | 185 | 85.6 Ų | 85.6 | 70% | 0.698 | 46% | 0.458 | S | S | * | . | trans | -121.8 | 141.2 | 174.7 | -163.8 | 179.2 | -178.3 | 158.7 | 0.9 | 107.9 | T401 | R367-T401 HydrophobicContact CG-CG2 3.52Š| ||
| 368 | V | 63.3 | Low | 61.6 | Low | 36 Ų | 36 | 84.3 Ų | 84.3 | 22% | 0.218 | 45% | 0.449 | C | S | . | . | trans | -106.7 | 112.2 | 172 | -173.2 | 0 | 0 | 0 | 0 | 107.5 | F366 A370 L378 F380 Q400 M422 | F366-V368 HydrophobicContact CD2-CG2 4.34Å; V368-A370 PolarHBondContact O-N 3.34Å; V368-L378 HydrophobicContact CB-CD1 4.14Å; V368-L378 HydrophobicContact CG1-CD1 4.03Å; V368-F380 HydrophobicContact CG2-CE1 4.16Å; V368-F380 HydrophobicContact CG2-CZ 4.36Å; V368-Q400 WeakPolarHBondContact CB-O 3.41Å; V368-Q400 VanDerWaalsContact O-O 3.08Å; V368-M422 HydrophobicContact CG2-SD 3.81Å | ||
| 369 | S | 52.8 | Low | 62.5 | Low | 75 Ų | 75 | 87.6 Ų | 87.6 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | trans | -84.2 | 109 | 174.3 | -61.5 | 0 | 0 | 0 | 0 | 108.7 | E114 | E114-S369 WeakPolarHBondContact OE1-CB 3.2Å; E114-S369 PolarHBondContact OE1-OG 2.9Å | ||
| 370 | A | 54.2 | Low | 63.8 | Low | 26 Ų | 26 | 83.6 Ų | 83.6 | 22% | 0.215 | 43% | 0.431 | C | S | . | . | trans | -143 | 121 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V368 R372 Q400 | V368-A370 PolarHBondContact O-N 3.34Å; A370-R372 HydrophobicContact CB-CG 4.11Å; A370-R372 PolarHBondContact O-N 3.47Å; A370-Q400 PolarHBondContact O-NE2 2.04Å | ||
| 371 | L | 53.3 | Low | 65.3 | Low | 190 Ų | 190 | 80 Ų | 80 | 100% | 0.995 | 41% | 0.406 | S | S | * | . | trans | -65.5 | 112.8 | 165.3 | -74.4 | 162.2 | 0 | 0 | 0 | 107.5 | ||||
| 372 | R | 61.8 | Low | 66.8 | Low | 41 Ų | 41 | 80.7 Ų | 80.7 | 16% | 0.155 | 41% | 0.406 | C | S | . | . | trans | -122.6 | 142 | -177.3 | -71.3 | -172.6 | -159.4 | -83.7 | -20.7 | 111.6 | A370 D376 E424 | A370-R372 HydrophobicContact CB-CG 4.11Å; A370-R372 PolarHBondContact O-N 3.47Å; R372-D376 HydrophobicContact CB-CB 4.07Å; R372-D376 HydrophobicContact CG-CB 4.18Å; R372-E424 IonicContact CZ-OE1 2.64Å; R372-E424 IonicContact NH1-OE1 2.64Å; R372-E424 PolarHBondContact NH1-OE1 3.04Å; R372-E424 IonicContact NH2-OE1 2.95Å; R372-E424 PolarHBondContact NH2-OE1 3.31Å | ||
| 373 | L | 62 | Low | 68.2 | Low | 141 Ų | 141 | 79.7 Ų | 79.7 | 74% | 0.738 | 40% | 0.398 | S | S | * | . | trans | -82.4 | 167.3 | 175.2 | -71.4 | 161 | 0 | 0 | 0 | 110.5 | G375 D376 | L373-G375 PolarHBondContact O-N 3.37Å; L373-G375 VanDerWaalsContact O-N 3.09Å; L373-D376 PolarHBondContact N-OD2 3.43Å; L373-D376 PolarHBondContact O-N 3Å | ||
| 374 | M | 58.1 | Low | 68.7 | Low | 174 Ų | 174 | 72.2 Ų | 72.2 | 86% | 0.857 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 109.8 | 174.3 | -72.8 | -71.3 | 109.6 | 0 | 0 | 110.4 | ||
| 375 | G | 64.5 | Low | 68.6 | Low | 36 Ų | 36 | 79 Ų | 79 | 37% | 0.371 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 129.6 | -16.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L373 | L373-G375 PolarHBondContact O-N 3.37Å; L373-G375 VanDerWaalsContact O-N 3.09Å |
| 376 | D | 74.6 | Confident | 68.6 | Low | 28 Ų | 28 | 80.6 Ų | 80.6 | 15% | 0.15 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 142.8 | 179.6 | -54.8 | -27.4 | 0 | 0 | 0 | 111.3 | R372 L373 L425 | R372-D376 HydrophobicContact CB-CB 4.07Å; R372-D376 HydrophobicContact CG-CB 4.18Å; L373-D376 PolarHBondContact N-OD2 3.43Å; L373-D376 PolarHBondContact O-N 3Å; D376-L425 VanDerWaalsContact CA-O 3.32Å; D376-L425 WeakPolarHBondContact CA-O 3.38Å |
| 377 | T | 77 | Confident | 68.2 | Low | 44 Ų | 44 | 86.3 Ų | 86.3 | 27% | 0.27 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 142.8 | 176 | 61 | 0 | 0 | 0 | 0 | 111.8 | L425 | T377-L425 PolarHBondContact N-O 2.74Å; T377-L425 PolarHBondContact O-N 3.24Å |
| 378 | L | 81.4 | Confident | 68.2 | Low | 3 Ų | 3 | 78.7 Ų | 78.7 | 2% | 0.016 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 138.1 | 161.4 | -73.8 | 176.9 | 0 | 0 | 0 | 110.6 | V368 F380 R396 T423 E424 | V368-L378 HydrophobicContact CB-CD1 4.14Å; V368-L378 HydrophobicContact CG1-CD1 4.03Å; L378-F380 HydrophobicContact CB-CE2 3.8Å; L378-F380 HydrophobicContact CB-CZ 3.99Å; L378-F380 HydrophobicContact CD1-CE2 4.39Å; L378-F380 HydrophobicContact CD1-CZ 3.81Å; L378-R396 PolarHBondContact O-NH1 2.87Å; L378-R396 PolarHBondContact O-NH2 2.84Å; L378-T423 WeakPolarHBondContact CA-O 3.36Å; L378-E424 HydrophobicContact CD2-CB 4.15Å |
| 379 | R | 83.4 | Confident | 68.4 | Low | 174 Ų | 174 | 85.9 Ų | 85.9 | 66% | 0.657 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.6 | 165.6 | -172.3 | 176.3 | -176.2 | 175.5 | 1.3 | 109 | M422 T423 | R379-M422 CarbonylContact O-C 3.57Å; R379-M422 VanDerWaalsContact O-CA 3.31Å; R379-M422 WeakPolarHBondContact O-CA 3.46Å; R379-T423 PolarHBondContact N-O 2.81Å; R379-T423 PolarHBondContact O-N 2.7Å |
| 380 | F | 86.2 | Confident | 69.3 | Low | 29 Ų | 29 | 92 Ų | 92 | 13% | 0.127 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 141.4 | 176.1 | -57.5 | -93.2 | 0 | 0 | 0 | 110.2 | F366 V368 L378 V394 V420 E421 M422 | F366-F380 HydrophobicContact CE2-CD1 4.24Å; F366-F380 AromaticContact CE2-CE1 3.98Å; F366-F380 HydrophobicContact CE2-CE1 3.98Å; F366-F380 HydrophobicContact CZ-CD1 4.49Å; V368-F380 HydrophobicContact CG2-CE1 4.16Å; V368-F380 HydrophobicContact CG2-CZ 4.36Å; L378-F380 HydrophobicContact CB-CE2 3.8Å; L378-F380 HydrophobicContact CB-CZ 3.99Å; L378-F380 HydrophobicContact CD1-CE2 4.39Å; L378-F380 HydrophobicContact CD1-CZ 3.81Å; F380-V394 HydrophobicContact CB-CG1 3.63Å; F380-V394 HydrophobicContact CG-CG1 4.38Å; F380-V420 HydrophobicContact CB-CG1 4.43Å; F380-V420 HydrophobicContact CD1-CG1 4.27Å; F380-E421 CarbonylContact C-O 3.56Å; F380-E421 VanDerWaalsContact CA-O 3.29Å; F380-E421 WeakPolarHBondContact CA-O 3.48Å; F380-M422 HydrophobicContact CD1-CB 4.5Å; F380-M422 HydrophobicContact CD1-CG 3.54Å; F380-M422 HydrophobicContact CD1-SD 4.39Å; F380-M422 HydrophobicContact CE1-CG 3.59Å; F380-M422 HydrophobicContact CE1-SD 3.96Å |
| 381 | S | 86.1 | Confident | 70.5 | Confident | 33 Ų | 33 | 92.8 Ų | 92.8 | 23% | 0.231 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 135.3 | 175 | 46.7 | 0 | 0 | 0 | 0 | 109.1 | V420 E421 | S381-V420 WeakPolarHBondContact O-CA 3Å; S381-E421 PolarHBondContact N-O 2.72Å; S381-E421 PolarHBondContact O-N 3.39Å; S381-E421 VanDerWaalsContact OG-CB 3.23Å; S381-E421 WeakPolarHBondContact OG-CB 3.41Å; S381-E421 VanDerWaalsContact OG-CD 3.27Å; S381-E421 VanDerWaalsContact OG-CG 3.23Å; S381-E421 WeakPolarHBondContact OG-CG 3.39Å; S381-E421 PolarHBondContact OG-OE2 3.1Å |
| 382 | L | 87.5 | Confident | 71.9 | Confident | 39 Ų | 39 | 84 Ų | 84 | 20% | 0.204 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 119.3 | 170.7 | -168.4 | 68 | 0 | 0 | 0 | 108.3 | R389 F392 V394 L404 A418 E419 V420 | L382-R389 HydrophobicContact CD2-CG 4.19Å; L382-F392 HydrophobicContact CD2-CB 4.07Å; L382-F392 VanDerWaalsContact CD2-O 3.26Å; L382-F392 WeakPolarHBondContact CD2-O 3.4Å; L382-V394 HydrophobicContact CB-CG2 3.87Å; L382-V394 HydrophobicContact CD1-CG2 3.95Å; L382-V394 HydrophobicContact CG-CG2 4.41Å; L382-L404 HydrophobicContact CD1-CD1 3.92Å; L382-A418 HydrophobicContact CD1-CB 4.35Å; L382-E419 WeakPolarHBondContact CD1-O 3.37Å; L382-V420 HydrophobicContact CD1-CG2 4.01Å |
| 383 | L | 85.3 | Confident | 72.7 | Confident | 40 Ų | 40 | 85.6 Ų | 85.6 | 21% | 0.209 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 149.8 | 176.5 | -59.2 | -178.6 | 0 | 0 | 0 | 110.2 | E419 E421 I435 | L383-E419 HydrophobicContact CB-CB 3.84Å; L383-E419 HydrophobicContact CD1-CB 4.4Å; L383-E419 PolarHBondContact N-O 3.01Å; L383-E421 HydrophobicContact CD1-CB 3.85Å; L383-E421 HydrophobicContact CD2-CB 3.76Å; L383-E421 HydrophobicContact CG-CB 3.74Å; L383-I435 HydrophobicContact CD1-CD1 3.63Å; L383-I435 HydrophobicContact CD1-CG1 4.02Å; L383-I435 HydrophobicContact CD1-CG2 4.2Å |
| 384 | G | 62.7 | Low | 73.6 | Confident | 57 Ų | 57 | 80.9 Ų | 80.9 | 59% | 0.588 | 41% | 0.411 | S | S | * | . | trans | -123.9 | 120.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 385 | R | 54.4 | Low | 74.4 | Confident | 235 Ų | 235 | 77.9 Ų | 77.9 | 89% | 0.887 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -133.5 | 113.1 | 142.9 | -77.3 | -170.2 | 177.6 | -154.9 | 0.2 | 108.3 | ||
| 386 | G | 61.1 | Low | 74.7 | Confident | 71 Ų | 71 | 81.6 Ų | 81.6 | 73% | 0.732 | 40% | 0.398 | S | S | * | . | S | Bend | trans | 86.9 | -157.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | A388 | G386-A388 PolarHBondContact O-N 2.78Å; G386-A388 VanDerWaalsContact O-N 3.08Å |
| 387 | Q | 60 | Low | 74.3 | Confident | 156 Ų | 156 | 83 Ų | 83 | 73% | 0.729 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -59.2 | -16.5 | -173.1 | -74.7 | 176.5 | -36.7 | 0 | 0 | 114.6 | R389 R390 | Q387-R389 VanDerWaalsContact C-N 3.34Å; Q387-R389 PolarHBondContact O-N 3.06Å; Q387-R390 WeakPolarHBondContact O-CB 3.49Å; Q387-R390 PolarHBondContact O-N 3.12Å; Q387-R390 VanDerWaalsContact O-N 3.09Å |
| 388 | A | 61.8 | Low | 73.9 | Confident | 25 Ų | 25 | 84.2 Ų | 84.2 | 21% | 0.207 | 42% | 0.415 | C | S | . | . | G | 310 helix | trans | -50.2 | -41.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G386 R390 H391 F392 E417 | G386-A388 PolarHBondContact O-N 2.78Å; G386-A388 VanDerWaalsContact O-N 3.08Å; A388-R390 PolarHBondContact O-N 3.21Å; A388-H391 PolarHBondContact O-N 3.1Å; A388-F392 WeakPolarHBondContact O-CD2 3.36Å; A388-E417 WeakPolarHBondContact CB-O 3.43Å |
| 389 | R | 68.8 | Low | 73.2 | Confident | 186 Ų | 186 | 90.7 Ų | 90.7 | 70% | 0.702 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -68.1 | -18.4 | -177.5 | -167.9 | 174.2 | 178.3 | -165.2 | -0.7 | 113.4 | L382 Q387 H391 | L382-R389 HydrophobicContact CD2-CG 4.19Å; Q387-R389 VanDerWaalsContact C-N 3.34Å; Q387-R389 PolarHBondContact O-N 3.06Å; R389-H391 VanDerWaalsContact C-N 3.32Å |
| 390 | R | 72.3 | Confident | 72.4 | Confident | 205 Ų | 205 | 85.7 Ų | 85.7 | 77% | 0.774 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -76.7 | -23.3 | -177.8 | -62.4 | -174.9 | 176.8 | -143.4 | -0.4 | 112.8 | Q387 A388 S408 | Q387-R390 WeakPolarHBondContact O-CB 3.49Å; Q387-R390 PolarHBondContact O-N 3.12Å; Q387-R390 VanDerWaalsContact O-N 3.09Å; A388-R390 PolarHBondContact O-N 3.21Å; R390-S408 PolarHBondContact O-OG 3.05Å; R390-S408 VanDerWaalsContact O-OG 3.07Å |
| 391 | H | 78.3 | Confident | 71.5 | Confident | 42 Ų | 42 | 84.9 Ų | 84.9 | 19% | 0.194 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -26.7 | -176.5 | -64.4 | -63 | 0 | 0 | 0 | 112.4 | A388 R389 L406 G407 S408 V410 L416 | A388-H391 PolarHBondContact O-N 3.1Å; R389-H391 VanDerWaalsContact C-N 3.32Å; H391-L406 HydrophobicContact CB-CD1 3.93Å; H391-L406 CarbonylContact O-C 3.57Å; H391-L406 VanDerWaalsContact O-CA 3.28Å; H391-L406 WeakPolarHBondContact O-CA 3.2Å; H391-L406 VanDerWaalsContact O-CD1 3.31Å; H391-L406 WeakPolarHBondContact O-CD1 3.26Å; H391-G407 PolarHBondContact O-N 2.79Å; H391-S408 PolarHBondContact ND1-OG 3.43Å; H391-V410 HydrophobicContact CB-CG2 4.43Å; H391-V410 WeakPolarHBondContact ND1-CG2 3.25Å; H391-L416 HydrophobicContact CB-CD1 4.28Å |
| 392 | F | 81.9 | Confident | 71 | Confident | 5 Ų | 5 | 83.3 Ų | 83.3 | 2% | 0.022 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.9 | -171.4 | -55.7 | -76.1 | 0 | 0 | 0 | 114.3 | M365 L382 A388 L404 V405 L406 L416 A418 M440 | M365-F392 HydrophobicContact CE-CD1 3.96Å; M365-F392 HydrophobicContact CE-CE1 3.97Å; L382-F392 HydrophobicContact CD2-CB 4.07Å; L382-F392 VanDerWaalsContact CD2-O 3.26Å; L382-F392 WeakPolarHBondContact CD2-O 3.4Å; A388-F392 WeakPolarHBondContact O-CD2 3.36Å; F392-L404 HydrophobicContact CB-CD1 3.81Å; F392-L404 HydrophobicContact CB-CG 4.24Å; F392-L404 HydrophobicContact CD1-CD1 4.47Å; F392-L404 HydrophobicContact CD1-CD2 4.02Å; F392-L404 HydrophobicContact CD1-CG 3.99Å; F392-L404 HydrophobicContact CE1-CD2 4.47Å; F392-L404 HydrophobicContact CG-CD1 4.32Å; F392-L404 HydrophobicContact CG-CD2 4.35Å; F392-L404 HydrophobicContact CG-CG 4.32Å; F392-V405 CarbonylContact C-O 3.41Å; F392-V405 VanDerWaalsContact CA-O 3.31Å; F392-V405 WeakPolarHBondContact CA-O 3.33Å; F392-L406 HydrophobicContact CD1-CD1 3.97Å; F392-L406 HydrophobicContact CE1-CB 4.43Å; F392-L406 HydrophobicContact CE1-CD1 3.48Å; F392-L406 VanDerWaalsContact CE1-CD1 3.48Å; F392-L406 HydrophobicContact CZ-CD1 3.89Å; F392-L416 HydrophobicContact CE2-CB 3.95Å; F392-L416 HydrophobicContact CE2-CD1 3.84Å; F392-L416 HydrophobicContact CZ-CB 4.02Å; F392-L416 HydrophobicContact CZ-CD1 3.52Å; F392-L416 HydrophobicContact CZ-CG 4.45Å; F392-A418 HydrophobicContact CD2-CB 4.01Å; F392-A418 HydrophobicContact CE2-CB 4.33Å; F392-A418 HydrophobicContact CG-CB 4.37Å; F392-M440 HydrophobicContact CD1-CE 4.49Å; F392-M440 HydrophobicContact CD2-CE 4.46Å; F392-M440 HydrophobicContact CE1-CE 3.64Å; F392-M440 HydrophobicContact CE1-SD 3.57Å; F392-M440 VanDerWaalsContact CE1-SD 3.57Å; F392-M440 HydrophobicContact CE2-CE 3.61Å; F392-M440 HydrophobicContact CZ-CE 3.13Å; F392-M440 HydrophobicContact CZ-SD 3.51Å; F392-M440 VanDerWaalsContact CZ-SD 3.51Å |
| 393 | T | 80.5 | Confident | 70.4 | Confident | 75 Ų | 75 | 82.9 Ų | 82.9 | 46% | 0.46 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 151.5 | 164.2 | 60.5 | 0 | 0 | 0 | 0 | 109 | V405 | T393-V405 PolarHBondContact N-O 3.47Å; T393-V405 PolarHBondContact O-N 2.96Å |
| 394 | V | 79.9 | Confident | 70.1 | Confident | 41 Ų | 41 | 81 Ų | 81 | 25% | 0.248 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 112.9 | 173.7 | -179.5 | 0 | 0 | 0 | 0 | 107.4 | F380 L382 Q403 L404 V420 | F380-V394 HydrophobicContact CB-CG1 3.63Å; F380-V394 HydrophobicContact CG-CG1 4.38Å; L382-V394 HydrophobicContact CB-CG2 3.87Å; L382-V394 HydrophobicContact CD1-CG2 3.95Å; L382-V394 HydrophobicContact CG-CG2 4.41Å; V394-Q403 CarbonylContact C-O 3.57Å; V394-Q403 WeakPolarHBondContact CA-O 3.15Å; V394-L404 HydrophobicContact CG2-CD1 3.62Å; V394-V420 HydrophobicContact CG1-CG1 4.48Å; V394-V420 HydrophobicContact CG2-CG1 4.26Å; V394-V420 HydrophobicContact CG2-CG2 4Å |
| 395 | Q | 75.7 | Confident | 70.8 | Confident | 111 Ų | 111 | 80 Ų | 80 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 140 | 175.6 | -175.8 | 172.1 | 9.3 | 0 | 0 | 109.4 | Q403 V405 | Q395-Q403 HydrophobicContact CB-CB 4.36Å; Q395-Q403 PolarHBondContact N-O 3.49Å; Q395-Q403 WeakPolarHBondContact O-CA 3.08Å; Q395-Q403 VanDerWaalsContact O-CB 3.3Å; Q395-Q403 WeakPolarHBondContact O-CB 3.42Å; Q395-Q403 PolarHBondContact O-N 3.29Å; Q395-V405 HydrophobicContact CB-CG2 4.28Å |
| 396 | R | 70.6 | Confident | 71.9 | Confident | 114 Ų | 114 | 70.8 Ų | 70.8 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.7 | 174.2 | -170.7 | 177.9 | -174 | 161.7 | 11.7 | 108.9 | L378 D398 R399 | L378-R396 PolarHBondContact O-NH1 2.87Å; L378-R396 PolarHBondContact O-NH2 2.84Å; R396-D398 WeakPolarHBondContact CD-O 3.45Å; R396-D398 WeakPolarHBondContact CG-O 3.36Å; R396-D398 PolarHBondContact NE-O 2.86Å; R396-R399 PolarHBondContact NH2-O 3Å |
| 397 | S | 64.6 | Low | 72.5 | Confident | 58 Ų | 58 | 70.1 Ų | 70.1 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | trans | -86.9 | -35.7 | 176.4 | 35.6 | 0 | 0 | 0 | 0 | 112.1 | T401 | S397-T401 WeakPolarHBondContact CB-OG1 3.4Å; S397-T401 PolarHBondContact N-O 3.11Å; S397-T401 VanDerWaalsContact OG-CB 3.26Å; S397-T401 WeakPolarHBondContact OG-CB 3.06Å; S397-T401 PolarHBondContact OG-O 3.42Å; S397-T401 PolarHBondContact OG-OG1 2.91Å | ||
| 398 | D | 69.2 | Low | 73.2 | Confident | 70 Ų | 70 | 64.3 Ų | 64.3 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -159.6 | -161.5 | 171.9 | 63.8 | 33.8 | 0 | 0 | 0 | 112.1 | R396 Q400 T401 | R396-D398 WeakPolarHBondContact CD-O 3.45Å; R396-D398 WeakPolarHBondContact CG-O 3.36Å; R396-D398 PolarHBondContact NE-O 2.86Å; D398-Q400 VanDerWaalsContact C-N 3.26Å; D398-Q400 PolarHBondContact O-N 2.98Å; D398-Q400 WeakPolarHBondContact OD1-CA 3.27Å; D398-Q400 PolarHBondContact OD1-N 2.9Å; D398-T401 PolarHBondContact N-OG1 2.88Å; D398-T401 WeakPolarHBondContact OD1-CB 3.33Å; D398-T401 PolarHBondContact OD1-N 2.83Å; D398-T401 PolarHBondContact OD1-OG1 3.31Å; D398-T401 PolarHBondContact OD2-OG1 3.07Å |
| 399 | R | 67.6 | Low | 73.8 | Confident | 139 Ų | 139 | 69 Ų | 69 | 53% | 0.525 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -67.4 | -23.3 | 178.8 | -72.6 | -166 | 178.9 | -176.3 | 2.4 | 114.6 | R396 | R396-R399 PolarHBondContact NH2-O 3Š|
| 400 | Q | 65.4 | Low | 74.3 | Confident | 69 Ų | 69 | 61 Ų | 61 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -112.5 | -19.2 | -171 | -62.7 | 178 | -6.5 | 0 | 0 | 112.8 | V368 A370 D398 | V368-Q400 WeakPolarHBondContact CB-O 3.41Å; V368-Q400 VanDerWaalsContact O-O 3.08Å; A370-Q400 PolarHBondContact O-NE2 2.04Å; D398-Q400 VanDerWaalsContact C-N 3.26Å; D398-Q400 PolarHBondContact O-N 2.98Å; D398-Q400 WeakPolarHBondContact OD1-CA 3.27Å; D398-Q400 PolarHBondContact OD1-N 2.9Å |
| 401 | T | 68.7 | Low | 74.6 | Confident | 11 Ų | 11 | 59.6 Ų | 59.6 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | trans | -121.3 | 136.4 | -169.4 | 61.1 | 0 | 0 | 0 | 0 | 112 | R367 S397 D398 | R367-T401 HydrophobicContact CG-CG2 3.52Å; S397-T401 WeakPolarHBondContact CB-OG1 3.4Å; S397-T401 PolarHBondContact N-O 3.11Å; S397-T401 VanDerWaalsContact OG-CB 3.26Å; S397-T401 WeakPolarHBondContact OG-CB 3.06Å; S397-T401 PolarHBondContact OG-O 3.42Å; S397-T401 PolarHBondContact OG-OG1 2.91Å; D398-T401 PolarHBondContact N-OG1 2.88Å; D398-T401 WeakPolarHBondContact OD1-CB 3.33Å; D398-T401 PolarHBondContact OD1-N 2.83Å; D398-T401 PolarHBondContact OD1-OG1 3.31Å; D398-T401 PolarHBondContact OD2-OG1 3.07Å | ||
| 402 | G | 73.9 | Confident | 74.7 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 403 | Q | 76 | Confident | 74.9 | Confident | 29 Ų | 29 | 62.7 Ų | 62.7 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 113 | -172.3 | -168.7 | -178.6 | -21 | 0 | 0 | 108.7 | R363 T364 V394 Q395 V405 | R363-Q403 WeakPolarHBondContact O-CG 3.41Å; R363-Q403 PolarHBondContact O-NE2 3.09Å; T364-Q403 HydrophobicContact CG2-CG 4.19Å; V394-Q403 CarbonylContact C-O 3.57Å; V394-Q403 WeakPolarHBondContact CA-O 3.15Å; Q395-Q403 HydrophobicContact CB-CB 4.36Å; Q395-Q403 PolarHBondContact N-O 3.49Å; Q395-Q403 WeakPolarHBondContact O-CA 3.08Å; Q395-Q403 VanDerWaalsContact O-CB 3.3Å; Q395-Q403 WeakPolarHBondContact O-CB 3.42Å; Q395-Q403 PolarHBondContact O-N 3.29Å; Q403-V405 HydrophobicContact CB-CG2 4.48Å; Q403-V405 HydrophobicContact CG-CG2 3.82Å |
| 404 | L | 79.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 126.4 | 167.4 | -167 | 72.4 | 0 | 0 | 0 | 107.6 | M365 F366 L382 F392 V394 A418 V420 I438 M440 | M365-L404 HydrophobicContact CB-CB 4.02Å; M365-L404 VanDerWaalsContact CE-C 3.47Å; M365-L404 HydrophobicContact CE-CB 3.64Å; M365-L404 HydrophobicContact CE-CD2 3.61Å; M365-L404 HydrophobicContact CE-CG 3.51Å; M365-L404 WeakPolarHBondContact CE-O 3.15Å; M365-L404 HydrophobicContact CG-CB 4.26Å; M365-L404 WeakPolarHBondContact CG-O 3.42Å; M365-L404 HydrophobicContact SD-CB 4.15Å; M365-L404 HydrophobicContact SD-CD2 3.87Å; M365-L404 HydrophobicContact SD-CG 4.28Å; F366-L404 HydrophobicContact CD1-CB 4.37Å; F366-L404 HydrophobicContact CE1-CB 3.88Å; L382-L404 HydrophobicContact CD1-CD1 3.92Å; F392-L404 HydrophobicContact CB-CD1 3.81Å; F392-L404 HydrophobicContact CB-CG 4.24Å; F392-L404 HydrophobicContact CD1-CD1 4.47Å; F392-L404 HydrophobicContact CD1-CD2 4.02Å; F392-L404 HydrophobicContact CD1-CG 3.99Å; F392-L404 HydrophobicContact CE1-CD2 4.47Å; F392-L404 HydrophobicContact CG-CD1 4.32Å; F392-L404 HydrophobicContact CG-CD2 4.35Å; F392-L404 HydrophobicContact CG-CG 4.32Å; V394-L404 HydrophobicContact CG2-CD1 3.62Å; L404-A418 HydrophobicContact CD1-CB 4.42Å; L404-A418 HydrophobicContact CD2-CB 3.7Å; L404-V420 HydrophobicContact CD1-CG2 3.98Å; L404-I438 HydrophobicContact CD2-CD1 4.01Å; L404-M440 HydrophobicContact CD2-CE 4.43Å |
| 405 | V | 76.8 | Confident | 75.5 | Confident | 37 Ų | 37 | 62.4 Ų | 62.4 | 22% | 0.224 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 136.2 | -177.6 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | F392 T393 Q395 Q403 G407 | F392-V405 CarbonylContact C-O 3.41Å; F392-V405 VanDerWaalsContact CA-O 3.31Å; F392-V405 WeakPolarHBondContact CA-O 3.33Å; T393-V405 PolarHBondContact N-O 3.47Å; T393-V405 PolarHBondContact O-N 2.96Å; Q395-V405 HydrophobicContact CB-CG2 4.28Å; Q403-V405 HydrophobicContact CB-CG2 4.48Å; Q403-V405 HydrophobicContact CG-CG2 3.82Å; V405-G407 PolarHBondContact O-N 3.19Å |
| 406 | L | 77.6 | Confident | 76 | Confident | 41 Ų | 41 | 58 Ų | 58 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 113.1 | 173.4 | -173.8 | 79.1 | 0 | 0 | 0 | 109.2 | A361 H391 F392 S408 V410 | A361-L406 HydrophobicContact CB-CB 3.25Å; A361-L406 HydrophobicContact CB-CD2 4.42Å; A361-L406 HydrophobicContact CB-CG 4.43Å; H391-L406 HydrophobicContact CB-CD1 3.93Å; H391-L406 CarbonylContact O-C 3.57Å; H391-L406 VanDerWaalsContact O-CA 3.28Å; H391-L406 WeakPolarHBondContact O-CA 3.2Å; H391-L406 VanDerWaalsContact O-CD1 3.31Å; H391-L406 WeakPolarHBondContact O-CD1 3.26Å; F392-L406 HydrophobicContact CD1-CD1 3.97Å; F392-L406 HydrophobicContact CE1-CB 4.43Å; F392-L406 HydrophobicContact CE1-CD1 3.48Å; F392-L406 VanDerWaalsContact CE1-CD1 3.48Å; F392-L406 HydrophobicContact CZ-CD1 3.89Å; L406-S408 WeakPolarHBondContact CD2-O 3.22Å; L406-S408 WeakPolarHBondContact CG-O 3.18Å; L406-V410 HydrophobicContact CD1-CG2 3.91Å; L406-V410 HydrophobicContact CD2-CG2 4.37Å |
| 407 | G | 74.2 | Confident | 76.8 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 60% | 0.598 | 33% | 0.328 | S | S | * | . | trans | -85.9 | -13.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H391 V405 | H391-G407 PolarHBondContact O-N 2.79Å; V405-G407 PolarHBondContact O-N 3.19Å | ||
| 408 | S | 74.8 | Confident | 77.8 | Confident | 33 Ų | 33 | 54.2 Ų | 54.2 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -141.3 | 140.1 | 175.3 | 51.7 | 0 | 0 | 0 | 0 | 111.1 | R390 H391 L406 | R390-S408 PolarHBondContact O-OG 3.05Å; R390-S408 VanDerWaalsContact O-OG 3.07Å; H391-S408 PolarHBondContact ND1-OG 3.43Å; L406-S408 WeakPolarHBondContact CD2-O 3.22Å; L406-S408 WeakPolarHBondContact CG-O 3.18Å |
| 409 | P | 74.2 | Confident | 78.8 | Confident | 125 Ų | 125 | 54.1 Ų | 54.1 | 81% | 0.812 | 31% | 0.307 | S | S | * | . | trans | -61.6 | 146.8 | 177.1 | 27.5 | -34.2 | 0 | 0 | 0 | 110.3 | ||||
| 410 | V | 77.9 | Confident | 79.8 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 10% | 0.097 | 28% | 0.282 | C | S | . | . | trans | -128.4 | 116.2 | -178.1 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | H391 L406 A414 L416 I442 | H391-V410 HydrophobicContact CB-CG2 4.43Å; H391-V410 WeakPolarHBondContact ND1-CG2 3.25Å; L406-V410 HydrophobicContact CD1-CG2 3.91Å; L406-V410 HydrophobicContact CD2-CG2 4.37Å; V410-A414 HydrophobicContact CG1-CB 4.04Å; V410-L416 HydrophobicContact CB-CD1 4.38Å; V410-L416 HydrophobicContact CG1-CD1 4.13Å; V410-L416 HydrophobicContact CG2-CD1 3.92Å; V410-I442 HydrophobicContact CB-CD1 3.68Å; V410-I442 HydrophobicContact CG1-CD1 3.4Å; V410-I442 HydrophobicContact CG2-CD1 4.44Å | ||
| 411 | Q | 79.5 | Confident | 80.9 | Confident | 177 Ų | 177 | 45.6 Ų | 45.6 | 83% | 0.827 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 131.2 | 174 | -66.3 | -176.8 | -10.8 | 0 | 0 | 109.5 | ||
| 412 | G | 79.4 | Confident | 81.9 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 19% | 0.186 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -79 | 159.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 413 | P | 86.3 | Confident | 82.6 | Confident | 93 Ų | 93 | 46.6 Ų | 46.6 | 60% | 0.604 | 28% | 0.278 | S | S | * | . | S | Bend | cis | -85 | 130.3 | 3.3 | 31.7 | -27.7 | 0 | 0 | 0 | 110.6 | I442 Q444 | P413-I442 VanDerWaalsContact CA-O 3.29Å; P413-I442 WeakPolarHBondContact CA-O 3.46Å; P413-Q444 HydrophobicContact CB-CB 4.13Å; P413-Q444 HydrophobicContact CG-CB 4.21Å |
| 414 | A | 86.1 | Confident | 83.1 | Confident | 28 Ų | 28 | 47.1 Ų | 47.1 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 150.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V410 I442 | V410-A414 HydrophobicContact CG1-CB 4.04Å; A414-I442 HydrophobicContact CB-CB 4.18Å; A414-I442 HydrophobicContact CB-CD1 4.28Å; A414-I442 PolarHBondContact N-O 3.34Å; A414-I442 WeakPolarHBondContact O-CA 3.35Å; A414-I442 WeakPolarHBondContact O-CB 3.33Å; A414-I442 PolarHBondContact O-N 2.96Å |
| 415 | T | 87.3 | Confident | 83.4 | Confident | 82 Ų | 82 | 49 Ų | 49 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.2 | 168.8 | -58.6 | 0 | 0 | 0 | 0 | 108.5 | T439 M440 F441 | T415-T439 HydrophobicContact CG2-CG2 3.89Å; T415-M440 WeakPolarHBondContact CA-O 3.49Å; T415-F441 HydrophobicContact CG2-CD1 3.92Å; T415-F441 HydrophobicContact CG2-CE1 3.85Å |
| 416 | L | 86.1 | Confident | 83.9 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 11% | 0.105 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 146.5 | 178.7 | -59.3 | -179.2 | 0 | 0 | 0 | 110.2 | H391 F392 V410 T439 M440 I442 | H391-L416 HydrophobicContact CB-CD1 4.28Å; F392-L416 HydrophobicContact CE2-CB 3.95Å; F392-L416 HydrophobicContact CE2-CD1 3.84Å; F392-L416 HydrophobicContact CZ-CB 4.02Å; F392-L416 HydrophobicContact CZ-CD1 3.52Å; F392-L416 HydrophobicContact CZ-CG 4.45Å; V410-L416 HydrophobicContact CB-CD1 4.38Å; V410-L416 HydrophobicContact CG1-CD1 4.13Å; V410-L416 HydrophobicContact CG2-CD1 3.92Å; L416-T439 CarbonylContact O-C 3.43Å; L416-T439 WeakPolarHBondContact O-CA 3.18Å; L416-M440 HydrophobicContact CB-CB 4.4Å; L416-M440 HydrophobicContact CB-CE 4.29Å; L416-M440 PolarHBondContact N-O 2.84Å; L416-M440 PolarHBondContact O-N 3.47Å; L416-I442 HydrophobicContact CD1-CD1 3.47Å; L416-I442 VanDerWaalsContact CD1-CD1 3.47Å; L416-I442 HydrophobicContact CG-CD1 3.84Å |
| 417 | E | 87.2 | Confident | 84.2 | Confident | 90 Ų | 90 | 57.4 Ų | 57.4 | 42% | 0.421 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.9 | 173.3 | -58.8 | -166.7 | 140.8 | 0 | 0 | 109.2 | A388 K437 I438 T439 | A388-E417 WeakPolarHBondContact CB-O 3.43Å; E417-K437 VanDerWaalsContact OE1-CE 3.25Å; E417-K437 WeakPolarHBondContact OE1-CE 3.21Å; E417-K437 IonicContact OE1-NZ 2.78Å; E417-K437 PolarHBondContact OE1-NZ 3.36Å; E417-K437 WeakPolarHBondContact OE2-CE 3.36Å; E417-K437 IonicContact OE2-NZ 2.81Å; E417-K437 PolarHBondContact OE2-NZ 3.19Å; E417-I438 CarbonylContact C-O 3.58Å; E417-I438 WeakPolarHBondContact CA-O 3.07Å; E417-T439 HydrophobicContact CG-CG2 4.45Å |
| 418 | A | 86.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L382 F392 L404 K437 I438 M440 | L382-A418 HydrophobicContact CD1-CB 4.35Å; F392-A418 HydrophobicContact CD2-CB 4.01Å; F392-A418 HydrophobicContact CE2-CB 4.33Å; F392-A418 HydrophobicContact CG-CB 4.37Å; L404-A418 HydrophobicContact CD1-CB 4.42Å; L404-A418 HydrophobicContact CD2-CB 3.7Å; A418-K437 CarbonylContact O-C 3.54Å; A418-K437 WeakPolarHBondContact O-CA 3.43Å; A418-I438 PolarHBondContact N-O 3.29Å; A418-I438 PolarHBondContact O-N 3.36Å; A418-M440 HydrophobicContact CB-CE 3.92Å |
| 419 | E | 89.3 | Confident | 85 | Confident | 69 Ų | 69 | 60.8 Ų | 60.8 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 119.2 | 173.5 | -72.2 | -178 | -175.9 | 0 | 0 | 108.6 | L382 L383 T436 K437 | L382-E419 WeakPolarHBondContact CD1-O 3.37Å; L383-E419 HydrophobicContact CB-CB 3.84Å; L383-E419 HydrophobicContact CD1-CB 4.4Å; L383-E419 PolarHBondContact N-O 3.01Å; E419-T436 CarbonylContact C-O 3.57Å; E419-T436 WeakPolarHBondContact CA-O 3.23Å; E419-K437 HydrophobicContact CG-CB 4.27Å; E419-K437 HydrophobicContact CG-CD 4.34Å; E419-K437 HydrophobicContact CG-CG 4.02Å |
| 420 | V | 88.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.5 | 176.1 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | F366 F380 S381 L382 V394 L404 I435 T436 | F366-V420 HydrophobicContact CE1-CG2 4.05Å; F366-V420 HydrophobicContact CZ-CB 4.17Å; F366-V420 HydrophobicContact CZ-CG1 3.94Å; F366-V420 HydrophobicContact CZ-CG2 4.11Å; F380-V420 HydrophobicContact CB-CG1 4.43Å; F380-V420 HydrophobicContact CD1-CG1 4.27Å; S381-V420 WeakPolarHBondContact O-CA 3Å; L382-V420 HydrophobicContact CD1-CG2 4.01Å; V394-V420 HydrophobicContact CG1-CG1 4.48Å; V394-V420 HydrophobicContact CG2-CG1 4.26Å; V394-V420 HydrophobicContact CG2-CG2 4Å; L404-V420 HydrophobicContact CD1-CG2 3.98Å; V420-I435 WeakPolarHBondContact O-CA 2.9Å; V420-T436 HydrophobicContact CB-CG2 3.73Å; V420-T436 HydrophobicContact CG2-CG2 4.49Å; V420-T436 PolarHBondContact N-O 3.05Å; V420-T436 PolarHBondContact O-N 3.28Å |
| 421 | E | 89.9 | Confident | 86 | Confident | 28 Ų | 28 | 62.9 Ų | 62.9 | 13% | 0.131 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 139.4 | 169.2 | 157.2 | -177 | -83.6 | 0 | 0 | 110.3 | F380 S381 L383 R433 Y434 | F380-E421 CarbonylContact C-O 3.56Å; F380-E421 VanDerWaalsContact CA-O 3.29Å; F380-E421 WeakPolarHBondContact CA-O 3.48Å; S381-E421 PolarHBondContact N-O 2.72Å; S381-E421 PolarHBondContact O-N 3.39Å; S381-E421 VanDerWaalsContact OG-CB 3.23Å; S381-E421 WeakPolarHBondContact OG-CB 3.41Å; S381-E421 VanDerWaalsContact OG-CD 3.27Å; S381-E421 VanDerWaalsContact OG-CG 3.23Å; S381-E421 WeakPolarHBondContact OG-CG 3.39Å; S381-E421 PolarHBondContact OG-OE2 3.1Å; L383-E421 HydrophobicContact CD1-CB 3.85Å; L383-E421 HydrophobicContact CD2-CB 3.76Å; L383-E421 HydrophobicContact CG-CB 3.74Å; E421-R433 HydrophobicContact CG-CG 4.45Å; E421-R433 IonicContact OE1-CZ 3.49Å; E421-R433 IonicContact OE1-NE 3.06Å; E421-R433 PolarHBondContact OE1-NE 2.81Å; E421-R433 IonicContact OE1-NH2 3.44Å; E421-R433 PolarHBondContact OE1-NH2 3.44Å; E421-Y434 CarbonylContact C-O 3.42Å; E421-Y434 WeakPolarHBondContact CA-O 3.36Å |
| 422 | M | 88.8 | Confident | 86.3 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 119.2 | 178.8 | -61.6 | 167.5 | -72.5 | 0 | 0 | 108.1 | F366 V368 R379 F380 R433 Y434 T436 | F366-M422 HydrophobicContact CE2-SD 4.4Å; V368-M422 HydrophobicContact CG2-SD 3.81Å; R379-M422 CarbonylContact O-C 3.57Å; R379-M422 VanDerWaalsContact O-CA 3.31Å; R379-M422 WeakPolarHBondContact O-CA 3.46Å; F380-M422 HydrophobicContact CD1-CB 4.5Å; F380-M422 HydrophobicContact CD1-CG 3.54Å; F380-M422 HydrophobicContact CD1-SD 4.39Å; F380-M422 HydrophobicContact CE1-CG 3.59Å; F380-M422 HydrophobicContact CE1-SD 3.96Å; M422-R433 CarbonylContact O-C 3.52Å; M422-R433 WeakPolarHBondContact O-CA 3.3Å; M422-Y434 PolarHBondContact N-O 2.87Å; M422-Y434 PolarHBondContact O-N 3.39Å; M422-T436 HydrophobicContact CE-CG2 3.75Å; M422-T436 HydrophobicContact SD-CG2 4.43Å |
| 423 | T | 88.6 | Confident | 86.8 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 9% | 0.092 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.9 | 177 | -52.4 | 0 | 0 | 0 | 0 | 109.4 | L378 R379 L425 Q430 G432 | L378-T423 WeakPolarHBondContact CA-O 3.36Å; R379-T423 PolarHBondContact N-O 2.81Å; R379-T423 PolarHBondContact O-N 2.7Å; T423-L425 HydrophobicContact CG2-CD2 4.25Å; T423-L425 HydrophobicContact CG2-CG 4.39Å; T423-Q430 HydrophobicContact CG2-CG 3.7Å; T423-G432 WeakPolarHBondContact CA-O 3.49Å |
| 424 | E | 86.8 | Confident | 87 | Confident | 40 Ų | 40 | 55.6 Ų | 55.6 | 19% | 0.187 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 124 | 177.3 | 176.8 | 160.9 | -124.6 | 0 | 0 | 110.4 | R372 L378 Q430 L431 G432 Y434 | R372-E424 IonicContact CZ-OE1 2.64Å; R372-E424 IonicContact NH1-OE1 2.64Å; R372-E424 PolarHBondContact NH1-OE1 3.04Å; R372-E424 IonicContact NH2-OE1 2.95Å; R372-E424 PolarHBondContact NH2-OE1 3.31Å; L378-E424 HydrophobicContact CD2-CB 4.15Å; E424-Q430 WeakPolarHBondContact O-CA 3.47Å; E424-L431 HydrophobicContact CG-CB 4.16Å; E424-L431 HydrophobicContact CG-CD1 4.37Å; E424-L431 PolarHBondContact O-N 2.58Å; E424-G432 PolarHBondContact N-O 3.35Å; E424-G432 PolarHBondContact O-N 3.13Å; E424-Y434 HydrophobicContact CB-CE2 3.85Å; E424-Y434 WeakPolarHBondContact OE2-CE2 3.47Å; E424-Y434 PolarHBondContact OE2-OH 2.83Å |
| 425 | L | 85.3 | Confident | 87.2 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 20% | 0.204 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.4 | -176.1 | -60.7 | 163 | 0 | 0 | 0 | 109.2 | D376 T377 T423 V429 Q430 | D376-L425 VanDerWaalsContact CA-O 3.32Å; D376-L425 WeakPolarHBondContact CA-O 3.38Å; T377-L425 PolarHBondContact N-O 2.74Å; T377-L425 PolarHBondContact O-N 3.24Å; T423-L425 HydrophobicContact CG2-CD2 4.25Å; T423-L425 HydrophobicContact CG2-CG 4.39Å; L425-V429 CarbonylContact C-O 3.56Å; L425-V429 VanDerWaalsContact CA-O 3.31Å; L425-V429 WeakPolarHBondContact CA-O 3.11Å; L425-Q430 HydrophobicContact CD2-CB 4.15Å |
| 426 | E | 86.4 | Confident | 87.3 | Confident | 82 Ų | 82 | 51.6 Ų | 51.6 | 38% | 0.383 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 118.8 | 168.2 | 175.5 | 179.9 | -164.9 | 0 | 0 | 108.3 | G428 V429 L431 | E426-G428 PolarHBondContact O-N 2.83Å; E426-V429 PolarHBondContact N-O 2.03Å; E426-V429 PolarHBondContact O-N 3.29Å; E426-L431 HydrophobicContact CB-CD1 3.48Å; E426-L431 VanDerWaalsContact CB-CD1 3.48Å; E426-L431 HydrophobicContact CB-CD2 4.15Å; E426-L431 HydrophobicContact CB-CG 3.73Å; E426-L431 HydrophobicContact CG-CD1 4.45Å |
| 427 | K | 84.7 | Confident | 87.4 | Confident | 173 Ų | 173 | 52.5 Ų | 52.5 | 75% | 0.752 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 32.6 | -178.8 | -59.3 | 177.1 | -177 | 170.3 | 0 | 113.8 | ||
| 428 | G | 80.9 | Confident | 87.5 | Confident | 65 Ų | 65 | 48.7 Ų | 48.7 | 67% | 0.67 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | -3.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | E426 | E426-G428 PolarHBondContact O-N 2.83Š|
| 429 | V | 85.9 | Confident | 87.6 | Confident | 97 Ų | 97 | 49 Ų | 49 | 59% | 0.588 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.4 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | L425 E426 L431 | L425-V429 CarbonylContact C-O 3.56Å; L425-V429 VanDerWaalsContact CA-O 3.31Å; L425-V429 WeakPolarHBondContact CA-O 3.11Å; E426-V429 PolarHBondContact N-O 2.03Å; E426-V429 PolarHBondContact O-N 3.29Å; V429-L431 PolarHBondContact O-N 2.03Å |
| 430 | Q | 86.6 | Confident | 87.4 | Confident | 97 Ų | 97 | 46.1 Ų | 46.1 | 45% | 0.453 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 114.7 | 176.5 | -178 | 179.8 | -57.5 | 0 | 0 | 110.7 | T423 E424 L425 | T423-Q430 HydrophobicContact CG2-CG 3.7Å; E424-Q430 WeakPolarHBondContact O-CA 3.47Å; L425-Q430 HydrophobicContact CD2-CB 4.15Å |
| 431 | L | 85.1 | Confident | 87.4 | Confident | 89 Ų | 89 | 46.6 Ų | 46.6 | 47% | 0.466 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -35.2 | 172.2 | -63 | -175.8 | 0 | 0 | 0 | 111.9 | E424 E426 V429 | E424-L431 HydrophobicContact CG-CB 4.16Å; E424-L431 HydrophobicContact CG-CD1 4.37Å; E424-L431 PolarHBondContact O-N 2.58Å; E426-L431 HydrophobicContact CB-CD1 3.48Å; E426-L431 VanDerWaalsContact CB-CD1 3.48Å; E426-L431 HydrophobicContact CB-CD2 4.15Å; E426-L431 HydrophobicContact CB-CG 3.73Å; E426-L431 HydrophobicContact CG-CD1 4.45Å; V429-L431 PolarHBondContact O-N 2.03Å |
| 432 | G | 86.3 | Confident | 87.2 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 154.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N346 T423 E424 | N346-G432 WeakPolarHBondContact ND2-CA 3.24Å; T423-G432 WeakPolarHBondContact CA-O 3.49Å; E424-G432 PolarHBondContact N-O 3.35Å; E424-G432 PolarHBondContact O-N 3.13Å |
| 433 | R | 89.4 | Confident | 86.9 | Confident | 73 Ų | 73 | 45.7 Ų | 45.7 | 28% | 0.275 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127.1 | 174.8 | -176.7 | -178.5 | -178.1 | -174.4 | 5.8 | 107.4 | Q343 P345 N346 E421 M422 | Q343-R433 WeakPolarHBondContact O-CD 3.22Å; Q343-R433 PolarHBondContact O-NH1 3.35Å; P345-R433 CarbonylContact C-O 3.57Å; P345-R433 WeakPolarHBondContact CA-O 3.39Å; N346-R433 WeakPolarHBondContact CB-O 3.26Å; N346-R433 PolarHBondContact N-O 2.82Å; E421-R433 HydrophobicContact CG-CG 4.45Å; E421-R433 IonicContact OE1-CZ 3.49Å; E421-R433 IonicContact OE1-NE 3.06Å; E421-R433 PolarHBondContact OE1-NE 2.81Å; E421-R433 IonicContact OE1-NH2 3.44Å; E421-R433 PolarHBondContact OE1-NH2 3.44Å; M422-R433 CarbonylContact O-C 3.52Å; M422-R433 WeakPolarHBondContact O-CA 3.3Å |
| 434 | Y | 90.1 | Very high | 86.4 | Confident | 60 Ų | 60 | 49.4 Ų | 49.4 | 24% | 0.235 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 140 | -176.1 | -48.7 | -86.3 | 0 | 0 | 0 | 108.2 | N346 S347 E421 M422 E424 | N346-Y434 HydrophobicContact CB-CD1 4.16Å; N346-Y434 HydrophobicContact CB-CE1 3.97Å; S347-Y434 WeakPolarHBondContact OG-CD1 3.33Å; E421-Y434 CarbonylContact C-O 3.42Å; E421-Y434 WeakPolarHBondContact CA-O 3.36Å; M422-Y434 PolarHBondContact N-O 2.87Å; M422-Y434 PolarHBondContact O-N 3.39Å; E424-Y434 HydrophobicContact CB-CE2 3.85Å; E424-Y434 WeakPolarHBondContact OE2-CE2 3.47Å; E424-Y434 PolarHBondContact OE2-OH 2.83Å |
| 435 | I | 90.9 | Very high | 85.6 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 11% | 0.108 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.1 | 174.7 | -62.4 | -178.1 | 0 | 0 | 0 | 108.3 | P345 S347 I348 S349 L383 V420 | P345-I435 HydrophobicContact CB-CD1 4.1Å; P345-I435 HydrophobicContact CB-CG1 3.99Å; P345-I435 HydrophobicContact CG-CD1 3.29Å; P345-I435 HydrophobicContact CG-CG1 3.72Å; S347-I435 PolarHBondContact O-N 2.89Å; I348-I435 CarbonylContact C-O 3.59Å; I348-I435 VanDerWaalsContact CA-O 3.27Å; I348-I435 WeakPolarHBondContact CA-O 3.12Å; I348-I435 HydrophobicContact CG1-CB 4.29Å; S349-I435 PolarHBondContact N-O 3.22Å; L383-I435 HydrophobicContact CD1-CD1 3.63Å; L383-I435 HydrophobicContact CD1-CG1 4.02Å; L383-I435 HydrophobicContact CD1-CG2 4.2Å; V420-I435 WeakPolarHBondContact O-CA 2.9Å |
| 436 | T | 89 | Confident | 84.5 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 126.7 | 168.3 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | S349 H351 E419 V420 M422 | S349-T436 CarbonylContact O-C 3.56Å; S349-T436 WeakPolarHBondContact O-CA 3.31Å; S349-T436 PolarHBondContact OG-OG1 2.95Å; H351-T436 PolarHBondContact CD2-OG1 3.2Å; H351-T436 PolarHBondContact NE2-OG1 2.65Å; E419-T436 CarbonylContact C-O 3.57Å; E419-T436 WeakPolarHBondContact CA-O 3.23Å; V420-T436 HydrophobicContact CB-CG2 3.73Å; V420-T436 HydrophobicContact CG2-CG2 4.49Å; V420-T436 PolarHBondContact N-O 3.05Å; V420-T436 PolarHBondContact O-N 3.28Å; M422-T436 HydrophobicContact CE-CG2 3.75Å; M422-T436 HydrophobicContact SD-CG2 4.43Å |
| 437 | K | 89.1 | Confident | 83.1 | Confident | 40 Ų | 40 | 55.5 Ų | 55.5 | 17% | 0.174 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.6 | 173 | -176 | 171.3 | 179.8 | 177.5 | 0 | 108.1 | S349 H350 H351 E417 A418 E419 | S349-K437 PolarHBondContact O-N 3.27Å; H350-K437 CarbonylContact C-O 3.48Å; H350-K437 WeakPolarHBondContact CA-O 3.06Å; H351-K437 PolarHBondContact N-O 2.74Å; E417-K437 VanDerWaalsContact OE1-CE 3.25Å; E417-K437 WeakPolarHBondContact OE1-CE 3.21Å; E417-K437 IonicContact OE1-NZ 2.78Å; E417-K437 PolarHBondContact OE1-NZ 3.36Å; E417-K437 WeakPolarHBondContact OE2-CE 3.36Å; E417-K437 IonicContact OE2-NZ 2.81Å; E417-K437 PolarHBondContact OE2-NZ 3.19Å; A418-K437 CarbonylContact O-C 3.54Å; A418-K437 WeakPolarHBondContact O-CA 3.43Å; E419-K437 HydrophobicContact CG-CB 4.27Å; E419-K437 HydrophobicContact CG-CD 4.34Å; E419-K437 HydrophobicContact CG-CG 4.02Å |
| 438 | I | 88.3 | Confident | 83 | Confident | 10 Ų | 10 | 49.7 Ų | 49.7 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 115.3 | -178.9 | -57 | 168.8 | 0 | 0 | 0 | 107.3 | H351 F366 L404 E417 A418 M440 | H351-I438 HydrophobicContact CB-CG1 4.26Å; H351-I438 CarbonylContact O-C 3.49Å; H351-I438 WeakPolarHBondContact O-CA 3.36Å; F366-I438 HydrophobicContact CD1-CD1 3.49Å; F366-I438 VanDerWaalsContact CD1-CD1 3.49Å; F366-I438 HydrophobicContact CE1-CD1 3.74Å; F366-I438 HydrophobicContact CG-CD1 4.47Å; L404-I438 HydrophobicContact CD2-CD1 4.01Å; E417-I438 CarbonylContact C-O 3.58Å; E417-I438 WeakPolarHBondContact CA-O 3.07Å; A418-I438 PolarHBondContact N-O 3.29Å; A418-I438 PolarHBondContact O-N 3.36Å; I438-M440 HydrophobicContact CG2-CE 4.14Å; I438-M440 HydrophobicContact CG2-CG 4.16Å; I438-M440 HydrophobicContact CG2-SD 4.37Å |
| 439 | T | 88.8 | Confident | 83.1 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 125 | 173.9 | -59.7 | 0 | 0 | 0 | 0 | 108.6 | H351 Y352 L353 T415 L416 E417 F441 | H351-T439 PolarHBondContact O-N 2.89Å; Y352-T439 CarbonylContact C-O 3.46Å; Y352-T439 VanDerWaalsContact CA-O 3.3Å; Y352-T439 WeakPolarHBondContact CA-O 3.46Å; Y352-T439 HydrophobicContact CD1-CG2 4.13Å; Y352-T439 HydrophobicContact CE1-CG2 4.36Å; L353-T439 PolarHBondContact N-O 3.17Å; T415-T439 HydrophobicContact CG2-CG2 3.89Å; L416-T439 CarbonylContact O-C 3.43Å; L416-T439 WeakPolarHBondContact O-CA 3.18Å; E417-T439 HydrophobicContact CG-CG2 4.45Å; T439-F441 HydrophobicContact CG2-CE1 3.83Å; T439-F441 HydrophobicContact CG2-CE2 4.37Å; T439-F441 HydrophobicContact CG2-CZ 3.76Å |
| 440 | M | 87.2 | Confident | 83 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 3% | 0.034 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.7 | -178.8 | -71.8 | 153.9 | -75.2 | 0 | 0 | 109.7 | L353 M365 F392 L404 T415 L416 A418 I438 | L353-M440 HydrophobicContact CB-CG 4.15Å; L353-M440 HydrophobicContact CD2-CG 4.4Å; L353-M440 CarbonylContact O-C 3.57Å; L353-M440 VanDerWaalsContact O-CA 3.27Å; L353-M440 WeakPolarHBondContact O-CA 3.31Å; M365-M440 HydrophobicContact CE-SD 4.45Å; M365-M440 HydrophobicContact SD-SD 4.01Å; F392-M440 HydrophobicContact CD1-CE 4.49Å; F392-M440 HydrophobicContact CD2-CE 4.46Å; F392-M440 HydrophobicContact CE1-CE 3.64Å; F392-M440 HydrophobicContact CE1-SD 3.57Å; F392-M440 VanDerWaalsContact CE1-SD 3.57Å; F392-M440 HydrophobicContact CE2-CE 3.61Å; F392-M440 HydrophobicContact CZ-CE 3.13Å; F392-M440 HydrophobicContact CZ-SD 3.51Å; F392-M440 VanDerWaalsContact CZ-SD 3.51Å; L404-M440 HydrophobicContact CD2-CE 4.43Å; T415-M440 WeakPolarHBondContact CA-O 3.49Å; L416-M440 HydrophobicContact CB-CB 4.4Å; L416-M440 HydrophobicContact CB-CE 4.29Å; L416-M440 PolarHBondContact N-O 2.84Å; L416-M440 PolarHBondContact O-N 3.47Å; A418-M440 HydrophobicContact CB-CE 3.92Å; I438-M440 HydrophobicContact CG2-CE 4.14Å; I438-M440 HydrophobicContact CG2-CG 4.16Å; I438-M440 HydrophobicContact CG2-SD 4.37Å |
| 441 | F | 87.9 | Confident | 82.8 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 4% | 0.044 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 110.6 | 173.7 | -56 | -64.6 | 0 | 0 | 0 | 108.7 | I300 T302 Q307 V309 Y352 L353 S354 V355 T415 T439 | I300-F441 HydrophobicContact CG2-CD2 4.43Å; I300-F441 HydrophobicContact CG2-CE2 4.16Å; T302-F441 HydrophobicContact CG2-CB 3.82Å; T302-F441 HydrophobicContact CG2-CD2 3.66Å; T302-F441 HydrophobicContact CG2-CE2 4.42Å; T302-F441 HydrophobicContact CG2-CG 3.83Å; Q307-F441 HydrophobicContact CB-CE1 4.41Å; Q307-F441 HydrophobicContact CB-CE2 4.22Å; Q307-F441 HydrophobicContact CB-CZ 3.97Å; Q307-F441 HydrophobicContact CG-CD1 4.17Å; Q307-F441 HydrophobicContact CG-CE1 3.9Å; Q307-F441 HydrophobicContact CG-CE2 4.3Å; Q307-F441 HydrophobicContact CG-CZ 3.95Å; V309-F441 HydrophobicContact CG1-CZ 4.23Å; Y352-F441 AromaticContact CD1-CE2 3.96Å; Y352-F441 HydrophobicContact CD1-CE2 3.96Å; Y352-F441 HydrophobicContact CD1-CZ 4.09Å; L353-F441 PolarHBondContact O-N 2.77Å; S354-F441 WeakPolarHBondContact CA-O 3.4Å; V355-F441 PolarHBondContact N-O 2.93Å; T415-F441 HydrophobicContact CG2-CD1 3.92Å; T415-F441 HydrophobicContact CG2-CE1 3.85Å; T439-F441 HydrophobicContact CG2-CE1 3.83Å; T439-F441 HydrophobicContact CG2-CE2 4.37Å; T439-F441 HydrophobicContact CG2-CZ 3.76Å |
| 442 | I | 84.7 | Confident | 82.6 | Confident | 15 Ų | 15 | 40.3 Ų | 40.3 | 8% | 0.077 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 114.7 | -178.5 | -50.8 | -175.7 | 0 | 0 | 0 | 107.9 | V355 V410 P413 A414 L416 | V355-I442 HydrophobicContact CG2-CB 4.25Å; V355-I442 HydrophobicContact CG2-CD1 4.48Å; V355-I442 HydrophobicContact CG2-CG1 3.65Å; V355-I442 HydrophobicContact CG2-CG2 4.41Å; V355-I442 CarbonylContact O-C 3.41Å; V355-I442 VanDerWaalsContact O-CA 3.32Å; V355-I442 WeakPolarHBondContact O-CA 3.03Å; V410-I442 HydrophobicContact CB-CD1 3.68Å; V410-I442 HydrophobicContact CG1-CD1 3.4Å; V410-I442 HydrophobicContact CG2-CD1 4.44Å; P413-I442 VanDerWaalsContact CA-O 3.29Å; P413-I442 WeakPolarHBondContact CA-O 3.46Å; A414-I442 HydrophobicContact CB-CB 4.18Å; A414-I442 HydrophobicContact CB-CD1 4.28Å; A414-I442 PolarHBondContact N-O 3.34Å; A414-I442 WeakPolarHBondContact O-CA 3.35Å; A414-I442 WeakPolarHBondContact O-CB 3.33Å; A414-I442 PolarHBondContact O-N 2.96Å; L416-I442 HydrophobicContact CD1-CD1 3.47Å; L416-I442 VanDerWaalsContact CD1-CD1 3.47Å; L416-I442 HydrophobicContact CG-CD1 3.84Å |
| 443 | S | 83.4 | Confident | 82.4 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 147.7 | 175.2 | -170.1 | 0 | 0 | 0 | 0 | 111.4 | Y303 V355 S357 Y445 | Y303-S443 PolarHBondContact O-OG 3.2Å; V355-S443 PolarHBondContact O-N 3.23Å; S357-S443 WeakPolarHBondContact CB-O 3.4Å; S357-S443 PolarHBondContact N-O 2.87Å; S357-S443 PolarHBondContact OG-O 3.39Å; S443-Y445 VanDerWaalsContact C-N 3.3Å; S443-Y445 PolarHBondContact OG-N 3.31Å |
| 444 | Q | 77 | Confident | 81.9 | Confident | 94 Ų | 94 | 40.8 Ų | 40.8 | 44% | 0.439 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -77.9 | -18.3 | 176.2 | 67.1 | -171.1 | -7.8 | 0 | 0 | 113.3 | P413 | P413-Q444 HydrophobicContact CB-CB 4.13Å; P413-Q444 HydrophobicContact CG-CB 4.21Å |
| 445 | Y | 70.6 | Confident | 81.2 | Confident | 64 Ų | 64 | 39.3 Ų | 39.3 | 25% | 0.251 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -88.6 | 122.6 | -177.8 | -56.2 | -66.9 | 0 | 0 | 0 | 108.9 | H254 P268 Y271 V356 S443 F447 | H254-Y445 AromaticContact CE1-CE1 3.98Å; P268-Y445 HydrophobicContact CB-CE1 4Å; P268-Y445 HydrophobicContact CB-CE2 4.37Å; P268-Y445 HydrophobicContact CG-CD1 4.11Å; P268-Y445 HydrophobicContact CG-CE1 3.85Å; Y271-Y445 HydrophobicContact CE2-CD2 4.11Å; Y271-Y445 HydrophobicContact CE2-CE2 4.45Å; V356-Y445 WeakPolarHBondContact CG1-O 3.13Å; S443-Y445 VanDerWaalsContact C-N 3.3Å; S443-Y445 PolarHBondContact OG-N 3.31Å; Y445-F447 VanDerWaalsContact CB-CZ 3.46Å; Y445-F447 HydrophobicContact CG-CZ 4.31Å |
| 446 | E | 62.8 | Low | 80.4 | Confident | 122 Ų | 122 | 40.8 Ų | 40.8 | 57% | 0.57 | 19% | 0.188 | S | C | * | . | trans | -81.1 | 120.6 | 169 | -162.9 | 174.7 | -178.2 | 0 | 0 | 108.1 | V356 N358 | V356-E446 HydrophobicContact CG1-CB 4.4Å; V356-E446 HydrophobicContact CG1-CG 4.38Å; N358-E446 HydrophobicContact CB-CG 3.98Å; N358-E446 WeakPolarHBondContact CB-OE1 3.27Å; N358-E446 VanDerWaalsContact ND2-CD 3.3Å; N358-E446 PolarHBondContact ND2-OE1 3.25Å; N358-E446 PolarHBondContact ND2-OE2 3.47Å | ||
| 447 | F | 56.4 | Low | 79.6 | Confident | 103 Ų | 103 | 44.1 Ų | 44.1 | 45% | 0.452 | 20% | 0.202 | S | C | . | . | trans | -97.4 | 0 | 176.9 | -71.2 | -72.1 | 0 | 0 | 0 | 111.2 | L253 Y271 Y303 V356 Y445 | L253-F447 HydrophobicContact CD2-CD1 4.36Å; Y271-F447 AromaticContact CD1-CE1 3.68Å; Y271-F447 HydrophobicContact CD1-CE1 3.68Å; Y271-F447 AromaticContact CD1-CZ 3.82Å; Y271-F447 HydrophobicContact CD1-CZ 3.82Å; Y271-F447 HydrophobicContact CE1-CD1 4.23Å; Y271-F447 AromaticContact CE1-CE1 3.23Å; Y271-F447 HydrophobicContact CE1-CE1 3.23Å; Y271-F447 AromaticContact CE1-CE2 3.68Å; Y271-F447 HydrophobicContact CE1-CE2 3.68Å; Y271-F447 AromaticContact CE1-CZ 2.95Å; Y271-F447 HydrophobicContact CE1-CZ 2.95Å; Y271-F447 AromaticContact CE2-CZ 3.87Å; Y271-F447 HydrophobicContact CE2-CZ 3.87Å; Y271-F447 AromaticContact CZ-CE1 3.77Å; Y271-F447 AromaticContact CZ-CE2 3.6Å; Y271-F447 AromaticContact CZ-CZ 3Å; Y271-F447 WeakPolarHBondContact OH-CE2 3.27Å; Y271-F447 WeakPolarHBondContact OH-CZ 3.27Å; Y303-F447 AromaticContact CD1-CD2 3.49Å; Y303-F447 HydrophobicContact CD1-CD2 3.49Å; Y303-F447 VanDerWaalsContact CD1-CD2 3.49Å; Y303-F447 AromaticContact CD1-CE2 3.67Å; Y303-F447 HydrophobicContact CD1-CE2 3.67Å; Y303-F447 HydrophobicContact CD1-CG 4.4Å; Y303-F447 AromaticContact CE1-CD2 3.96Å; Y303-F447 HydrophobicContact CE1-CD2 3.96Å; Y303-F447 HydrophobicContact CG-CD2 4.18Å; Y303-F447 HydrophobicContact CG-CE2 4.14Å; V356-F447 HydrophobicContact CG2-CD2 4.44Å; Y445-F447 VanDerWaalsContact CB-CZ 3.46Å; Y445-F447 HydrophobicContact CG-CZ 4.31Å |
Retrieved 447 of 447 residues in 2082.7 ms
(Link to these results)