| 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 | 38.8 | Very low | 49.4 | Very low | 194 Ų | 194 | 101.3 Ų | 101.3 | 96% | 0.956 | 58% | 0.575 | S | S | * | * | 0 | -51.1 | 0 | -80.4 | -160.7 | -92.4 | 0 | 0 | 113.6 | A3 S4 A5 | M1-A3 PolarHBondContact O-N 3.4Å; M1-S4 PolarHBondContact O-N 2.85Å; M1-A5 PolarHBondContact O-N 2.95Å | |||
| 2 | F | 36.3 | Very low | 50.3 | Low | 187 Ų | 187 | 99.3 Ų | 99.3 | 82% | 0.82 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.4 | -36.7 | 176.8 | -81.4 | -84.1 | 0 | 0 | 0 | 113.9 | S4 A5 V6 | F2-S4 VanDerWaalsContact C-N 3.32Å; F2-S4 PolarHBondContact O-N 3.28Å; F2-A5 PolarHBondContact O-N 3.23Å; F2-V6 WeakPolarHBondContact O-CG2 3.02Å; F2-V6 PolarHBondContact O-N 2.77Å |
| 3 | A | 38.3 | Very low | 50.9 | Low | 69 Ų | 69 | 103.9 Ų | 103.9 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.3 | -36.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 N7 | M1-A3 PolarHBondContact O-N 3.4Å; A3-N7 WeakPolarHBondContact O-CB 3.41Å; A3-N7 PolarHBondContact O-N 3.21Å; A3-N7 VanDerWaalsContact O-N 3.12Å; A3-N7 PolarHBondContact O-ND2 3.3Å |
| 4 | S | 46.7 | Very low | 51.2 | Low | 83 Ų | 83 | 103.7 Ų | 103.7 | 58% | 0.58 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -72.1 | -32.1 | 179.4 | -51.1 | 0 | 0 | 0 | 0 | 112.7 | M1 F2 L8 | M1-S4 PolarHBondContact O-N 2.85Å; F2-S4 VanDerWaalsContact C-N 3.32Å; F2-S4 PolarHBondContact O-N 3.28Å; S4-L8 WeakPolarHBondContact O-CB 3.29Å; S4-L8 PolarHBondContact O-N 2.76Å |
| 5 | A | 49.2 | Very low | 51.4 | Low | 47 Ų | 47 | 100.6 Ų | 100.6 | 39% | 0.388 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -75.3 | -38.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | M1 F2 L8 I9 | M1-A5 PolarHBondContact O-N 2.95Å; F2-A5 PolarHBondContact O-N 3.23Å; A5-L8 PolarHBondContact O-N 3.09Å; A5-I9 VanDerWaalsContact O-CG1 3.29Å; A5-I9 WeakPolarHBondContact O-CG1 3.44Å; A5-I9 PolarHBondContact O-N 3.41Å |
| 6 | V | 53.5 | Low | 51.7 | Low | 94 Ų | 94 | 99.8 Ų | 99.8 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.5 | -41.3 | 176.5 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | F2 L8 I9 A10 | F2-V6 WeakPolarHBondContact O-CG2 3.02Å; F2-V6 PolarHBondContact O-N 2.77Å; V6-L8 VanDerWaalsContact C-N 3.32Å; V6-L8 PolarHBondContact O-N 3.4Å; V6-I9 PolarHBondContact O-N 2.79Å; V6-A10 WeakPolarHBondContact O-CB 3.45Å; V6-A10 PolarHBondContact O-N 3.19Å |
| 7 | N | 51.1 | Low | 51.7 | Low | 105 Ų | 105 | 100.5 Ų | 100.5 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.1 | -35.1 | 174.1 | -78.7 | -22.2 | 0 | 0 | 0 | 112.6 | A3 L11 | A3-N7 WeakPolarHBondContact O-CB 3.41Å; A3-N7 PolarHBondContact O-N 3.21Å; A3-N7 VanDerWaalsContact O-N 3.12Å; A3-N7 PolarHBondContact O-ND2 3.3Å; N7-L11 WeakPolarHBondContact O-CB 3.03Å; N7-L11 PolarHBondContact O-N 3.28Å |
| 8 | L | 55.5 | Low | 51.6 | Low | 65 Ų | 65 | 102.4 Ų | 102.4 | 34% | 0.34 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.8 | -40.6 | 177.2 | -148.2 | 84.9 | 0 | 0 | 0 | 112.2 | S4 A5 V6 L11 V12 M34 | S4-L8 WeakPolarHBondContact O-CB 3.29Å; S4-L8 PolarHBondContact O-N 2.76Å; A5-L8 PolarHBondContact O-N 3.09Å; V6-L8 VanDerWaalsContact C-N 3.32Å; V6-L8 PolarHBondContact O-N 3.4Å; L8-L11 PolarHBondContact O-N 2.82Å; L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 3.07Å; L8-V12 VanDerWaalsContact O-N 3.07Å; L8-M34 HydrophobicContact CD1-CE 3.91Å; L8-M34 HydrophobicContact CD1-SD 4.46Å |
| 9 | I | 61.2 | Low | 51.5 | Low | 118 Ų | 118 | 104.2 Ų | 104.2 | 61% | 0.605 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.3 | -40.3 | 176.5 | -66.9 | 165.8 | 0 | 0 | 0 | 110.2 | A5 V6 V12 Y13 | A5-I9 VanDerWaalsContact O-CG1 3.29Å; A5-I9 WeakPolarHBondContact O-CG1 3.44Å; A5-I9 PolarHBondContact O-N 3.41Å; V6-I9 PolarHBondContact O-N 2.79Å; I9-V12 PolarHBondContact O-N 3.46Å; I9-Y13 WeakPolarHBondContact O-CB 3.36Å; I9-Y13 PolarHBondContact O-N 3.27Å |
| 10 | A | 56.2 | Low | 51.3 | Low | 47 Ų | 47 | 103.1 Ų | 103.1 | 39% | 0.388 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.3 | -43.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V6 V12 Y13 V14 | V6-A10 WeakPolarHBondContact O-CB 3.45Å; V6-A10 PolarHBondContact O-N 3.19Å; A10-V12 PolarHBondContact O-N 2.99Å; A10-Y13 PolarHBondContact O-N 2.02Å; A10-V14 WeakPolarHBondContact O-CB 3.48Å; A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 3.39Å |
| 11 | L | 56.5 | Low | 50.8 | Low | 105 Ų | 105 | 106.7 Ų | 106.7 | 55% | 0.55 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62 | -42.9 | 176.6 | -113.7 | 129.9 | 0 | 0 | 0 | 112.7 | N7 L8 Y13 V14 C15 | N7-L11 WeakPolarHBondContact O-CB 3.03Å; N7-L11 PolarHBondContact O-N 3.28Å; L8-L11 PolarHBondContact O-N 2.82Å; L11-Y13 VanDerWaalsContact C-N 3.32Å; L11-Y13 PolarHBondContact O-N 3.49Å; L11-V14 PolarHBondContact O-N 3.32Å; L11-C15 PolarHBondContact O-N 3Å; L11-C15 PolarHBondContact O-SG 2.82Å; L11-C15 VanDerWaalsContact O-SG 3.39Å |
| 12 | V | 59.7 | Low | 51.4 | Low | 77 Ų | 77 | 102 Ų | 102 | 47% | 0.467 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -65.7 | -36.8 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | L8 I9 A10 S16 | L8-V12 WeakPolarHBondContact O-CG2 3.33Å; L8-V12 PolarHBondContact O-N 3.07Å; L8-V12 VanDerWaalsContact O-N 3.07Å; I9-V12 PolarHBondContact O-N 3.46Å; A10-V12 PolarHBondContact O-N 2.99Å; V12-S16 PolarHBondContact O-N 3.38Å; V12-S16 PolarHBondContact O-OG 2.98Å |
| 13 | Y | 58.6 | Low | 51.8 | Low | 160 Ų | 160 | 101.1 Ų | 101.1 | 63% | 0.627 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -71.1 | -36.8 | 177.8 | -143.9 | -97 | 0 | 0 | 0 | 112.2 | I9 A10 L11 S16 L17 | I9-Y13 WeakPolarHBondContact O-CB 3.36Å; I9-Y13 PolarHBondContact O-N 3.27Å; A10-Y13 PolarHBondContact O-N 2.02Å; L11-Y13 VanDerWaalsContact C-N 3.32Å; L11-Y13 PolarHBondContact O-N 3.49Å; Y13-S16 PolarHBondContact O-N 3.05Å; Y13-S16 PolarHBondContact O-OG 3.07Å; Y13-L17 HydrophobicContact CD1-CD1 3.59Å; Y13-L17 HydrophobicContact CE1-CD1 3.59Å; Y13-L17 PolarHBondContact O-N 2.71Å |
| 14 | V | 55.6 | Low | 52.4 | Low | 101 Ų | 101 | 106 Ų | 106 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69 | -42.5 | 176.7 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | A10 L11 S16 L17 H18 | A10-V14 WeakPolarHBondContact O-CB 3.48Å; A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 3.39Å; L11-V14 PolarHBondContact O-N 3.32Å; V14-S16 VanDerWaalsContact C-N 3.26Å; V14-S16 PolarHBondContact O-N 3.5Å; V14-L17 PolarHBondContact O-N 3.01Å; V14-H18 PolarHBondContact O-N 2.92Å |
| 15 | C | 54.6 | Low | 52.7 | Low | 57 Ų | 57 | 106.2 Ų | 106.2 | 39% | 0.385 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.1 | -19.4 | 177.9 | -72.3 | 0 | 0 | 0 | 0 | 114.3 | L11 | L11-C15 PolarHBondContact O-N 3Å; L11-C15 PolarHBondContact O-SG 2.82Å; L11-C15 VanDerWaalsContact O-SG 3.39Å |
| 16 | S | 54.9 | Low | 53 | Low | 88 Ų | 88 | 106.9 Ų | 106.9 | 62% | 0.615 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -92.1 | -14.4 | 179.3 | 35 | 0 | 0 | 0 | 0 | 113.9 | V12 Y13 V14 | V12-S16 PolarHBondContact O-N 3.38Å; V12-S16 PolarHBondContact O-OG 2.98Å; Y13-S16 PolarHBondContact O-N 3.05Å; Y13-S16 PolarHBondContact O-OG 3.07Å; V14-S16 VanDerWaalsContact C-N 3.26Å; V14-S16 PolarHBondContact O-N 3.5Å |
| 17 | L | 52.8 | Low | 53.7 | Low | 111 Ų | 111 | 107.4 Ų | 107.4 | 58% | 0.581 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -104.8 | -19.8 | -176.7 | -75.2 | 166.7 | 0 | 0 | 0 | 114.6 | Y13 V14 | Y13-L17 HydrophobicContact CD1-CD1 3.59Å; Y13-L17 HydrophobicContact CE1-CD1 3.59Å; Y13-L17 PolarHBondContact O-N 2.71Å; V14-L17 PolarHBondContact O-N 3.01Å |
| 18 | H | 50.1 | Low | 53.9 | Low | 135 Ų | 135 | 111.7 Ų | 111.7 | 63% | 0.625 | 63% | 0.625 | S | S | * | * | trans | -141.3 | 101.3 | -179.1 | -88.4 | 54.6 | 0 | 0 | 0 | 112.1 | V14 A20 | V14-H18 PolarHBondContact O-N 2.92Å; H18-A20 VanDerWaalsContact C-N 3.25Å; H18-A20 PolarHBondContact O-N 2.82Å | ||
| 19 | P | 49.7 | Very low | 54 | Low | 136 Ų | 136 | 116 Ų | 116 | 88% | 0.883 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 6.5 | 177.2 | 31.6 | -32.6 | 0 | 0 | 0 | 114.1 | ||
| 20 | A | 47.4 | Very low | 53.8 | Low | 83 Ų | 83 | 115.8 Ų | 115.8 | 69% | 0.686 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 11.3 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | H18 | H18-A20 VanDerWaalsContact C-N 3.25Å; H18-A20 PolarHBondContact O-N 2.82Å |
| 21 | F | 41.2 | Very low | 53.9 | Low | 178 Ų | 178 | 116.9 Ų | 116.9 | 78% | 0.781 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -119.6 | 120.4 | 170.6 | -89.3 | -87.9 | 0 | 0 | 0 | 109.9 | Q23 | F21-Q23 VanDerWaalsContact C-N 3.32Å; F21-Q23 PolarHBondContact O-N 3.42Å |
| 22 | G | 49.6 | Very low | 54.1 | Low | 96 Ų | 96 | 117.1 Ų | 117.1 | 99% | 0.99 | 64% | 0.637 | S | S | * | * | trans | -67.8 | 78.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 23 | Q | 46.5 | Very low | 54.4 | Low | 169 Ų | 169 | 115.1 Ų | 115.1 | 79% | 0.79 | 63% | 0.632 | S | S | * | * | trans | -125.1 | 127.9 | 169.2 | -148.3 | 146.4 | -15.7 | 0 | 0 | 108 | F21 C25 | F21-Q23 VanDerWaalsContact C-N 3.32Å; F21-Q23 PolarHBondContact O-N 3.42Å; Q23-C25 PolarHBondContact O-N 2.92Å | ||
| 24 | D | 50.2 | Low | 54.4 | Low | 172 Ų | 172 | 112.2 Ų | 112.2 | 92% | 0.92 | 63% | 0.625 | S | S | * | * | trans | -55.1 | 108.7 | -176.3 | -78 | -47.7 | 0 | 0 | 0 | 111 | ||||
| 25 | C | 52.2 | Low | 54.5 | Low | 86 Ų | 86 | 112.6 Ų | 112.6 | 58% | 0.581 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 130.7 | 176.3 | -78 | 0 | 0 | 0 | 0 | 110.1 | Q23 | Q23-C25 PolarHBondContact O-N 2.92Š|
| 26 | P | 57 | Low | 55.1 | Low | 62 Ų | 62 | 117.3 Ų | 117.3 | 40% | 0.403 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 140 | 178.4 | 23.9 | -31 | 0 | 0 | 0 | 111.4 | E30 I31 | P26-E30 WeakPolarHBondContact CA-OE2 3.49Å; P26-E30 HydrophobicContact CB-CB 4.41Å; P26-E30 WeakPolarHBondContact CB-OE2 3.37Å; P26-I31 HydrophobicContact CB-CG1 4.48Å; P26-I31 HydrophobicContact CG-CD1 4.45Å; P26-I31 HydrophobicContact CG-CG1 4.3Å |
| 27 | N | 66.8 | Low | 55.4 | Low | 105 Ų | 105 | 119.4 Ų | 119.4 | 56% | 0.561 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -69 | 153.8 | -173.4 | -168.7 | 4.3 | 0 | 0 | 0 | 110.7 | Q29 E30 I31 | N27-Q29 PolarHBondContact O-N 3.02Å; N27-E30 PolarHBondContact N-OE2 3.09Å; N27-E30 WeakPolarHBondContact O-CB 3.33Å; N27-E30 PolarHBondContact O-N 2.55Å; N27-I31 PolarHBondContact O-N 3.3Å |
| 28 | R | 56.2 | Low | 55.7 | Low | 194 Ų | 194 | 117.1 Ų | 117.1 | 73% | 0.732 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -53.4 | -29.8 | -177.2 | -171.6 | 176.2 | 178.5 | -179.1 | 0.4 | 113.3 | Q32 | R28-Q32 WeakPolarHBondContact O-CG 3.35Å; R28-Q32 PolarHBondContact O-N 3Å |
| 29 | Q | 57.1 | Low | 56.3 | Low | 155 Ų | 155 | 117 Ų | 117 | 72% | 0.724 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.8 | -34.6 | 175.8 | -69.2 | -169.4 | -18.1 | 0 | 0 | 113.2 | N27 Q32 G33 | N27-Q29 PolarHBondContact O-N 3.02Å; Q29-Q32 PolarHBondContact O-N 3.49Å; Q29-G33 PolarHBondContact O-N 3.31Å |
| 30 | E | 56.5 | Low | 57.1 | Low | 115 Ų | 115 | 118.1 Ų | 118.1 | 54% | 0.537 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.6 | -41.9 | 177.3 | -66.8 | 174.8 | 151 | 0 | 0 | 110.9 | P26 N27 Q32 G33 M34 | P26-E30 WeakPolarHBondContact CA-OE2 3.49Å; P26-E30 HydrophobicContact CB-CB 4.41Å; P26-E30 WeakPolarHBondContact CB-OE2 3.37Å; N27-E30 PolarHBondContact N-OE2 3.09Å; N27-E30 WeakPolarHBondContact O-CB 3.33Å; N27-E30 PolarHBondContact O-N 2.55Å; E30-Q32 VanDerWaalsContact C-N 3.32Å; E30-Q32 PolarHBondContact O-N 3.04Å; E30-G33 PolarHBondContact O-N 2.91Å; E30-G33 VanDerWaalsContact O-N 3.13Å; E30-M34 WeakPolarHBondContact O-CG 3.49Å; E30-M34 PolarHBondContact O-N 3.27Å |
| 31 | I | 58.3 | Low | 57.6 | Low | 70 Ų | 70 | 119.7 Ų | 119.7 | 36% | 0.359 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.3 | -42.3 | 175.1 | -61.6 | 176.9 | 0 | 0 | 0 | 110.6 | P26 N27 G33 M34 L35 | P26-I31 HydrophobicContact CB-CG1 4.48Å; P26-I31 HydrophobicContact CG-CD1 4.45Å; P26-I31 HydrophobicContact CG-CG1 4.3Å; N27-I31 PolarHBondContact O-N 3.3Å; I31-G33 VanDerWaalsContact C-N 3.34Å; I31-G33 PolarHBondContact O-N 2.91Å; I31-M34 PolarHBondContact O-N 2.89Å; I31-L35 WeakPolarHBondContact O-CB 3.37Å; I31-L35 PolarHBondContact O-N 2.87Å |
| 32 | Q | 60.4 | Low | 58.2 | Low | 110 Ų | 110 | 116.6 Ų | 116.6 | 51% | 0.514 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.3 | -34.6 | 175.5 | -77 | -172 | -20.2 | 0 | 0 | 113 | R28 Q29 E30 K36 | R28-Q32 WeakPolarHBondContact O-CG 3.35Å; R28-Q32 PolarHBondContact O-N 3Å; Q29-Q32 PolarHBondContact O-N 3.49Å; E30-Q32 VanDerWaalsContact C-N 3.32Å; E30-Q32 PolarHBondContact O-N 3.04Å; Q32-K36 WeakPolarHBondContact O-CB 3.44Å; Q32-K36 WeakPolarHBondContact O-CG 3.48Å; Q32-K36 PolarHBondContact O-N 3.35Å; Q32-K36 VanDerWaalsContact O-N 3.1Å |
| 33 | G | 67.1 | Low | 59 | Low | 35 Ų | 35 | 114.9 Ų | 114.9 | 36% | 0.361 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.1 | -49.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q29 E30 I31 L35 K36 Q37 | Q29-G33 PolarHBondContact O-N 3.31Å; E30-G33 PolarHBondContact O-N 2.91Å; E30-G33 VanDerWaalsContact O-N 3.13Å; I31-G33 VanDerWaalsContact C-N 3.34Å; I31-G33 PolarHBondContact O-N 2.91Å; G33-L35 PolarHBondContact O-N 2.89Å; G33-K36 PolarHBondContact O-N 2.04Å; G33-Q37 WeakPolarHBondContact O-CB 3.39Å; G33-Q37 PolarHBondContact O-N 3.26Å |
| 34 | M | 58.5 | Low | 59.8 | Low | 99 Ų | 99 | 109.7 Ų | 109.7 | 49% | 0.488 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.9 | -40.8 | 177.7 | -68.3 | -164 | 79.3 | 0 | 0 | 112.1 | L8 E30 I31 K36 Q37 V38 | L8-M34 HydrophobicContact CD1-CE 3.91Å; L8-M34 HydrophobicContact CD1-SD 4.46Å; E30-M34 WeakPolarHBondContact O-CG 3.49Å; E30-M34 PolarHBondContact O-N 3.27Å; I31-M34 PolarHBondContact O-N 2.89Å; M34-K36 PolarHBondContact O-N 3.47Å; M34-Q37 PolarHBondContact O-N 2.88Å; M34-V38 WeakPolarHBondContact O-CG2 3.28Å; M34-V38 PolarHBondContact O-N 3.45Å |
| 35 | L | 57.4 | Low | 60.5 | Low | 108 Ų | 108 | 107.6 Ų | 107.6 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.1 | -42.1 | 177.8 | -144.7 | 100.7 | 0 | 0 | 0 | 111.7 | I31 G33 Q37 V38 Q39 | I31-L35 WeakPolarHBondContact O-CB 3.37Å; I31-L35 PolarHBondContact O-N 2.87Å; G33-L35 PolarHBondContact O-N 2.89Å; L35-Q37 VanDerWaalsContact C-N 3.3Å; L35-Q37 PolarHBondContact O-N 3.33Å; L35-V38 PolarHBondContact O-N 3.4Å; L35-Q39 VanDerWaalsContact O-CB 3.31Å; L35-Q39 WeakPolarHBondContact O-CB 3.19Å; L35-Q39 PolarHBondContact O-N 2.95Å |
| 36 | K | 67 | Low | 61.1 | Low | 156 Ų | 156 | 109.6 Ų | 109.6 | 68% | 0.678 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.1 | -37.2 | 174.6 | -78.5 | 178.3 | 178.8 | 178 | 0 | 111.8 | Q32 G33 M34 K40 | Q32-K36 WeakPolarHBondContact O-CB 3.44Å; Q32-K36 WeakPolarHBondContact O-CG 3.48Å; Q32-K36 PolarHBondContact O-N 3.35Å; Q32-K36 VanDerWaalsContact O-N 3.1Å; G33-K36 PolarHBondContact O-N 2.04Å; M34-K36 PolarHBondContact O-N 3.47Å; K36-K40 VanDerWaalsContact O-CB 3.3Å; K36-K40 WeakPolarHBondContact O-CB 3.23Å; K36-K40 PolarHBondContact O-N 3.05Å |
| 37 | Q | 60.9 | Low | 61.6 | Low | 132 Ų | 132 | 109.5 Ų | 109.5 | 62% | 0.617 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -71.2 | -41.4 | 179 | -163.5 | 161.4 | -2.1 | 0 | 0 | 111.9 | G33 M34 L35 K40 L41 | G33-Q37 WeakPolarHBondContact O-CB 3.39Å; G33-Q37 PolarHBondContact O-N 3.26Å; M34-Q37 PolarHBondContact O-N 2.88Å; L35-Q37 VanDerWaalsContact C-N 3.3Å; L35-Q37 PolarHBondContact O-N 3.33Å; Q37-K40 PolarHBondContact O-N 3.11Å; Q37-L41 WeakPolarHBondContact O-CG 3.47Å; Q37-L41 PolarHBondContact O-N 3.47Å |
| 38 | V | 60.8 | Low | 61.4 | Low | 64 Ų | 64 | 108 Ų | 108 | 39% | 0.388 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.2 | -43.7 | 172.4 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | M34 L35 K40 L41 L42 | M34-V38 WeakPolarHBondContact O-CG2 3.28Å; M34-V38 PolarHBondContact O-N 3.45Å; L35-V38 PolarHBondContact O-N 3.4Å; V38-K40 VanDerWaalsContact C-N 3.34Å; V38-K40 PolarHBondContact O-N 3.09Å; V38-L41 PolarHBondContact O-N 2.78Å; V38-L42 HydrophobicContact CG1-CD1 3.69Å; V38-L42 WeakPolarHBondContact O-CB 3.09Å; V38-L42 PolarHBondContact O-N 2.92Å |
| 39 | Q | 62.7 | Low | 61.4 | Low | 132 Ų | 132 | 101.7 Ų | 101.7 | 62% | 0.617 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68.8 | -31.6 | 178.3 | -166.5 | 144.5 | 7.6 | 0 | 0 | 112.9 | L35 S43 | L35-Q39 VanDerWaalsContact O-CB 3.31Å; L35-Q39 WeakPolarHBondContact O-CB 3.19Å; L35-Q39 PolarHBondContact O-N 2.95Å; Q39-S43 WeakPolarHBondContact O-CB 3.28Å; Q39-S43 PolarHBondContact O-N 2.91Å; Q39-S43 PolarHBondContact O-OG 2.68Å |
| 40 | K | 66.3 | Low | 62 | Low | 160 Ų | 160 | 98.3 Ų | 98.3 | 70% | 0.696 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.2 | -37.5 | 172.1 | -167.9 | 176.5 | -178.8 | -177.7 | 0 | 111.9 | K36 Q37 V38 S43 A44 | K36-K40 VanDerWaalsContact O-CB 3.3Å; K36-K40 WeakPolarHBondContact O-CB 3.23Å; K36-K40 PolarHBondContact O-N 3.05Å; Q37-K40 PolarHBondContact O-N 3.11Å; V38-K40 VanDerWaalsContact C-N 3.34Å; V38-K40 PolarHBondContact O-N 3.09Å; K40-S43 WeakPolarHBondContact CA-OG 3.44Å; K40-S43 PolarHBondContact O-OG 3.36Å; K40-S43 VanDerWaalsContact O-OG 3.07Å; K40-A44 VanDerWaalsContact O-CB 3.29Å; K40-A44 WeakPolarHBondContact O-CB 3.48Å; K40-A44 PolarHBondContact O-N 2.87Å |
| 41 | L | 56.3 | Low | 62.5 | Low | 116 Ų | 116 | 97.2 Ų | 97.2 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.7 | -41.5 | 176.2 | -74.8 | 165.2 | 0 | 0 | 0 | 112.1 | Q37 V38 A44 H45 | Q37-L41 WeakPolarHBondContact O-CG 3.47Å; Q37-L41 PolarHBondContact O-N 3.47Å; V38-L41 PolarHBondContact O-N 2.78Å; L41-A44 PolarHBondContact O-N 3.11Å; L41-H45 WeakPolarHBondContact O-CB 3.3Å; L41-H45 PolarHBondContact O-N 3.34Å |
| 42 | L | 55.2 | Low | 62.7 | Low | 112 Ų | 112 | 97.1 Ų | 97.1 | 59% | 0.586 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.1 | -44.7 | 174.2 | -89.5 | 148.4 | 0 | 0 | 0 | 111.7 | V38 H45 E46 | V38-L42 HydrophobicContact CG1-CD1 3.69Å; V38-L42 WeakPolarHBondContact O-CB 3.09Å; V38-L42 PolarHBondContact O-N 2.92Å; L42-H45 PolarHBondContact O-N 2.86Å; L42-E46 WeakPolarHBondContact O-CB 3.47Å; L42-E46 PolarHBondContact O-N 3.34Å |
| 43 | S | 66.1 | Low | 62.9 | Low | 61 Ų | 61 | 96.6 Ų | 96.6 | 43% | 0.427 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.1 | -35.1 | 177.9 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | Q39 K40 A47 | Q39-S43 WeakPolarHBondContact O-CB 3.28Å; Q39-S43 PolarHBondContact O-N 2.91Å; Q39-S43 PolarHBondContact O-OG 2.68Å; K40-S43 WeakPolarHBondContact CA-OG 3.44Å; K40-S43 PolarHBondContact O-OG 3.36Å; K40-S43 VanDerWaalsContact O-OG 3.07Å; S43-A47 VanDerWaalsContact O-CB 3.3Å; S43-A47 WeakPolarHBondContact O-CB 3.48Å; S43-A47 PolarHBondContact O-N 2.92Å |
| 44 | A | 62 | Low | 62.9 | Low | 59 Ų | 59 | 102.4 Ų | 102.4 | 49% | 0.488 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K40 L41 S48 | K40-A44 VanDerWaalsContact O-CB 3.29Å; K40-A44 WeakPolarHBondContact O-CB 3.48Å; K40-A44 PolarHBondContact O-N 2.87Å; L41-A44 PolarHBondContact O-N 3.11Å; A44-S48 WeakPolarHBondContact O-CB 3.4Å; A44-S48 PolarHBondContact O-N 3.48Å |
| 45 | H | 65.4 | Low | 63.1 | Low | 128 Ų | 128 | 101.7 Ų | 101.7 | 59% | 0.593 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.2 | -41.8 | 175.7 | -174 | -69.7 | 0 | 0 | 0 | 111.7 | L41 L42 S48 C49 | L41-H45 WeakPolarHBondContact O-CB 3.3Å; L41-H45 PolarHBondContact O-N 3.34Å; L42-H45 PolarHBondContact O-N 2.86Å; H45-S48 PolarHBondContact O-N 2.72Å; H45-C49 WeakPolarHBondContact O-CB 3.05Å; H45-C49 PolarHBondContact O-N 3.1Å |
| 46 | E | 65.5 | Low | 63.3 | Low | 128 Ų | 128 | 101.5 Ų | 101.5 | 60% | 0.598 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.3 | -42.2 | 176.5 | -166.4 | 174.7 | -172 | 0 | 0 | 111.3 | L42 S48 C49 L50 | L42-E46 WeakPolarHBondContact O-CB 3.47Å; L42-E46 PolarHBondContact O-N 3.34Å; E46-S48 PolarHBondContact O-N 3.22Å; E46-C49 PolarHBondContact O-N 3.23Å; E46-L50 HydrophobicContact CG-CD1 4.33Å; E46-L50 WeakPolarHBondContact O-CB 3.02Å; E46-L50 VanDerWaalsContact O-CG 3.32Å; E46-L50 WeakPolarHBondContact O-CG 3.34Å; E46-L50 PolarHBondContact O-N 2.99Å |
| 47 | A | 67.8 | Low | 63.2 | Low | 60 Ų | 60 | 102.6 Ų | 102.6 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S43 Q51 | S43-A47 VanDerWaalsContact O-CB 3.3Å; S43-A47 WeakPolarHBondContact O-CB 3.48Å; S43-A47 PolarHBondContact O-N 2.92Å; A47-Q51 VanDerWaalsContact O-CB 3.26Å; A47-Q51 WeakPolarHBondContact O-CB 3.37Å; A47-Q51 PolarHBondContact O-N 3.34Å |
| 48 | S | 62.5 | Low | 63.3 | Low | 74 Ų | 74 | 103.3 Ų | 103.3 | 52% | 0.517 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 176 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | A44 H45 E46 Q51 S52 | A44-S48 WeakPolarHBondContact O-CB 3.4Å; A44-S48 PolarHBondContact O-N 3.48Å; H45-S48 PolarHBondContact O-N 2.72Å; E46-S48 PolarHBondContact O-N 3.22Å; S48-Q51 PolarHBondContact O-N 3.07Å; S48-S52 WeakPolarHBondContact O-CB 3.35Å; S48-S52 PolarHBondContact O-N 2.61Å; S48-S52 PolarHBondContact O-OG 3.2Å |
| 49 | C | 56.8 | Low | 63.5 | Low | 62 Ų | 62 | 105.5 Ų | 105.5 | 42% | 0.419 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 177.3 | -172.5 | 0 | 0 | 0 | 0 | 111.5 | H45 E46 Q51 S52 L53 | H45-C49 WeakPolarHBondContact O-CB 3.05Å; H45-C49 PolarHBondContact O-N 3.1Å; E46-C49 PolarHBondContact O-N 3.23Å; C49-Q51 VanDerWaalsContact C-N 3.32Å; C49-Q51 PolarHBondContact O-N 3.11Å; C49-S52 WeakPolarHBondContact O-CB 3.32Å; C49-S52 PolarHBondContact O-N 2.78Å; C49-L53 WeakPolarHBondContact O-CG 3.46Å; C49-L53 PolarHBondContact O-N 3.31Å |
| 50 | L | 67.9 | Low | 63.7 | Low | 84 Ų | 84 | 103 Ų | 103 | 44% | 0.44 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 175.5 | -73.5 | 173.4 | 0 | 0 | 0 | 112.1 | E46 L53 R54 | E46-L50 HydrophobicContact CG-CD1 4.33Å; E46-L50 WeakPolarHBondContact O-CB 3.02Å; E46-L50 VanDerWaalsContact O-CG 3.32Å; E46-L50 WeakPolarHBondContact O-CG 3.34Å; E46-L50 PolarHBondContact O-N 2.99Å; L50-L53 PolarHBondContact O-N 3.43Å; L50-R54 VanDerWaalsContact O-CG 3.32Å; L50-R54 WeakPolarHBondContact O-CG 3.39Å; L50-R54 PolarHBondContact O-N 3.24Å |
| 51 | Q | 67.7 | Low | 63.3 | Low | 91 Ų | 91 | 99.5 Ų | 99.5 | 43% | 0.425 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 175.4 | -171.2 | 63.6 | 7.6 | 0 | 0 | 111.7 | A47 S48 C49 L53 R54 N55 | A47-Q51 VanDerWaalsContact O-CB 3.26Å; A47-Q51 WeakPolarHBondContact O-CB 3.37Å; A47-Q51 PolarHBondContact O-N 3.34Å; S48-Q51 PolarHBondContact O-N 3.07Å; C49-Q51 VanDerWaalsContact C-N 3.32Å; C49-Q51 PolarHBondContact O-N 3.11Å; Q51-L53 VanDerWaalsContact C-N 3.35Å; Q51-R54 PolarHBondContact O-N 2.92Å; Q51-N55 PolarHBondContact O-N 2.95Å |
| 52 | S | 62.5 | Low | 63.2 | Low | 68 Ų | 68 | 99.8 Ų | 99.8 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 174.3 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | S48 C49 N55 L56 | S48-S52 WeakPolarHBondContact O-CB 3.35Å; S48-S52 PolarHBondContact O-N 2.61Å; S48-S52 PolarHBondContact O-OG 3.2Å; C49-S52 WeakPolarHBondContact O-CB 3.32Å; C49-S52 PolarHBondContact O-N 2.78Å; S52-N55 PolarHBondContact O-N 3.06Å; S52-L56 WeakPolarHBondContact O-CB 3.47Å; S52-L56 PolarHBondContact O-N 3.26Å |
| 53 | L | 64.9 | Low | 63.1 | Low | 99 Ų | 99 | 101.1 Ų | 101.1 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 175 | -75 | 168 | 0 | 0 | 0 | 112.9 | C49 L50 Q51 L56 R57 | C49-L53 WeakPolarHBondContact O-CG 3.46Å; C49-L53 PolarHBondContact O-N 3.31Å; L50-L53 PolarHBondContact O-N 3.43Å; Q51-L53 VanDerWaalsContact C-N 3.35Å; L53-L56 PolarHBondContact O-N 3.25Å; L53-R57 WeakPolarHBondContact O-CB 3.26Å; L53-R57 PolarHBondContact O-N 2.85Å |
| 54 | R | 67.6 | Low | 62.4 | Low | 157 Ų | 157 | 104.7 Ų | 104.7 | 59% | 0.592 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.4 | -40.4 | 173.5 | -74.5 | 174.8 | -167.7 | 161.6 | 0.9 | 112 | L50 Q51 R57 K58 | L50-R54 VanDerWaalsContact O-CG 3.32Å; L50-R54 WeakPolarHBondContact O-CG 3.39Å; L50-R54 PolarHBondContact O-N 3.24Å; Q51-R54 PolarHBondContact O-N 2.92Å; R54-R57 PolarHBondContact O-N 3.04Å; R54-K58 PolarHBondContact O-N 2.59Å |
| 55 | N | 61.6 | Low | 61.8 | Low | 85 Ų | 85 | 106.3 Ų | 106.3 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 175.5 | -75 | -13.1 | 0 | 0 | 0 | 111.4 | Q51 S52 K58 K59 | Q51-N55 PolarHBondContact O-N 2.95Å; S52-N55 PolarHBondContact O-N 3.06Å; N55-K58 PolarHBondContact O-N 3.5Å; N55-K59 PolarHBondContact O-N 3.35Å |
| 56 | L | 61.6 | Low | 61 | Low | 103 Ų | 103 | 103.1 Ų | 103.1 | 54% | 0.539 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 174.6 | -146.9 | 90.5 | 0 | 0 | 0 | 111.3 | S52 L53 K58 K59 I60 | S52-L56 WeakPolarHBondContact O-CB 3.47Å; S52-L56 PolarHBondContact O-N 3.26Å; L53-L56 PolarHBondContact O-N 3.25Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-K58 PolarHBondContact O-N 3.16Å; L56-K59 PolarHBondContact O-N 2.97Å; L56-I60 HydrophobicContact CD2-CD1 4.38Å; L56-I60 VanDerWaalsContact O-CG1 3.3Å; L56-I60 WeakPolarHBondContact O-CG1 3.3Å; L56-I60 PolarHBondContact O-N 2.04Å |
| 57 | R | 65.6 | Low | 60.1 | Low | 179 Ų | 179 | 103.5 Ų | 103.5 | 68% | 0.675 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.2 | -38.4 | 176.4 | -169.9 | 174.5 | -177.9 | 173.5 | -0.5 | 112.3 | L53 R54 I60 N61 | L53-R57 WeakPolarHBondContact O-CB 3.26Å; L53-R57 PolarHBondContact O-N 2.85Å; R54-R57 PolarHBondContact O-N 3.04Å; R57-I60 PolarHBondContact O-N 2.63Å; R57-N61 PolarHBondContact O-N 3.49Å |
| 58 | K | 63.1 | Low | 59 | Low | 148 Ų | 148 | 103.8 Ų | 103.8 | 64% | 0.643 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.2 | -45.7 | 171.3 | -88.9 | -175 | 174.7 | -178.1 | 0 | 111.8 | R54 N55 L56 I60 N61 L62 | R54-K58 PolarHBondContact O-N 2.59Å; N55-K58 PolarHBondContact O-N 3.5Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-K58 PolarHBondContact O-N 3.16Å; K58-I60 VanDerWaalsContact C-N 3.32Å; K58-I60 PolarHBondContact O-N 2.67Å; K58-N61 PolarHBondContact O-N 3.24Å; K58-L62 WeakPolarHBondContact O-CB 3.49Å; K58-L62 WeakPolarHBondContact O-CD1 3.25Å; K58-L62 PolarHBondContact O-N 3.46Å |
| 59 | K | 64.1 | Low | 58.2 | Low | 110 Ų | 110 | 110.3 Ų | 110.3 | 48% | 0.478 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.5 | -40.7 | 174.8 | -79.8 | -169.6 | 174.1 | -167.6 | 0 | 111.5 | N55 L56 L62 L63 E100 | N55-K59 PolarHBondContact O-N 3.35Å; L56-K59 PolarHBondContact O-N 2.97Å; K59-L62 PolarHBondContact O-N 3.35Å; K59-L63 WeakPolarHBondContact O-CD1 3.46Å; K59-L63 VanDerWaalsContact O-CG 3.25Å; K59-L63 WeakPolarHBondContact O-CG 3.46Å; K59-L63 PolarHBondContact O-N 3.06Å; K59-E100 IonicContact NZ-OE1 2.66Å; K59-E100 IonicContact NZ-OE2 2.69Å; K59-E100 PolarHBondContact NZ-OE2 2.03Å |
| 60 | I | 68.2 | Low | 57.6 | Low | 79 Ų | 79 | 116.8 Ų | 116.8 | 41% | 0.405 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.1 | -44.7 | 176.9 | -69.3 | 165.4 | 0 | 0 | 0 | 111.7 | L56 R57 K58 L62 L63 Q64 | L56-I60 HydrophobicContact CD2-CD1 4.38Å; L56-I60 VanDerWaalsContact O-CG1 3.3Å; L56-I60 WeakPolarHBondContact O-CG1 3.3Å; L56-I60 PolarHBondContact O-N 2.04Å; R57-I60 PolarHBondContact O-N 2.63Å; K58-I60 VanDerWaalsContact C-N 3.32Å; K58-I60 PolarHBondContact O-N 2.67Å; I60-L62 VanDerWaalsContact C-N 3.35Å; I60-L62 PolarHBondContact O-N 3.08Å; I60-L63 PolarHBondContact O-N 3.47Å; I60-Q64 WeakPolarHBondContact O-CG 3.25Å; I60-Q64 PolarHBondContact O-N 3.11Å; I60-Q64 VanDerWaalsContact O-N 3.11Å |
| 61 | N | 56.4 | Low | 56 | Low | 86 Ų | 86 | 119.3 Ų | 119.3 | 46% | 0.46 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.4 | -35.8 | 178.5 | -72.9 | -12.3 | 0 | 0 | 0 | 112.4 | R57 K58 L63 Q64 S65 | R57-N61 PolarHBondContact O-N 3.49Å; K58-N61 PolarHBondContact O-N 3.24Å; N61-L63 VanDerWaalsContact C-N 3.33Å; N61-Q64 PolarHBondContact O-N 2.86Å; N61-S65 PolarHBondContact O-N 3.25Å; N61-S65 VanDerWaalsContact O-N 3.1Å; N61-S65 PolarHBondContact O-OG 2.82Å |
| 62 | L | 54.4 | Low | 54.8 | Low | 122 Ų | 122 | 119.6 Ų | 119.6 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.2 | -34.5 | 173.3 | -88.3 | 150 | 0 | 0 | 0 | 112.6 | K58 K59 I60 Q64 S65 | K58-L62 WeakPolarHBondContact O-CB 3.49Å; K58-L62 WeakPolarHBondContact O-CD1 3.25Å; K58-L62 PolarHBondContact O-N 3.46Å; K59-L62 PolarHBondContact O-N 3.35Å; I60-L62 VanDerWaalsContact C-N 3.35Å; I60-L62 PolarHBondContact O-N 3.08Å; L62-Q64 VanDerWaalsContact C-N 3.32Å; L62-S65 PolarHBondContact O-OG 3.32Å |
| 63 | L | 54.1 | Low | 53.5 | Low | 141 Ų | 141 | 126.2 Ų | 126.2 | 74% | 0.738 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72.5 | -25.2 | 174.2 | -70.5 | 165.7 | 0 | 0 | 0 | 112.6 | K59 I60 N61 | K59-L63 WeakPolarHBondContact O-CD1 3.46Å; K59-L63 VanDerWaalsContact O-CG 3.25Å; K59-L63 WeakPolarHBondContact O-CG 3.46Å; K59-L63 PolarHBondContact O-N 3.06Å; I60-L63 PolarHBondContact O-N 3.47Å; N61-L63 VanDerWaalsContact C-N 3.33Å |
| 64 | Q | 50 | Low | 52.7 | Low | 136 Ų | 136 | 127 Ų | 127 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -84.1 | -28 | 177.6 | -71.5 | 177 | -14.8 | 0 | 0 | 113.2 | I60 N61 L62 | I60-Q64 WeakPolarHBondContact O-CG 3.25Å; I60-Q64 PolarHBondContact O-N 3.11Å; I60-Q64 VanDerWaalsContact O-N 3.11Å; N61-Q64 PolarHBondContact O-N 2.86Å; L62-Q64 VanDerWaalsContact C-N 3.32Å |
| 65 | S | 50.7 | Low | 51.7 | Low | 93 Ų | 93 | 125 Ų | 125 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -84.7 | -3.2 | 177.7 | 61.5 | 0 | 0 | 0 | 0 | 114.7 | N61 L62 T67 | N61-S65 PolarHBondContact O-N 3.25Å; N61-S65 VanDerWaalsContact O-N 3.1Å; N61-S65 PolarHBondContact O-OG 2.82Å; L62-S65 PolarHBondContact O-OG 3.32Å; S65-T67 PolarHBondContact O-N 3.14Å |
| 66 | G | 48.9 | Very low | 51.7 | Low | 61 Ų | 61 | 128.5 Ų | 128.5 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | trans | -90 | 26.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 67 | T | 45.6 | Very low | 52.1 | Low | 135 Ų | 135 | 126.4 Ų | 126.4 | 83% | 0.828 | 70% | 0.696 | S | S | * | * | trans | -101.1 | 61.8 | 173.6 | 46.7 | 0 | 0 | 0 | 0 | 111.2 | S65 | S65-T67 PolarHBondContact O-N 3.14Š| ||
| 68 | G | 44.1 | Very low | 52.9 | Low | 67 Ų | 67 | 121.8 Ų | 121.8 | 69% | 0.691 | 69% | 0.688 | S | S | * | * | trans | -112.2 | 118.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 69 | K | 46.7 | Very low | 54 | Low | 210 Ų | 210 | 114.9 Ų | 114.9 | 91% | 0.913 | 66% | 0.658 | S | S | * | * | trans | -39.7 | 130.3 | 177.7 | -69.8 | 170.5 | 173.2 | 175.2 | 0 | 114.1 | ||||
| 70 | Q | 44.4 | Very low | 55.2 | Low | 199 Ų | 199 | 113.6 Ų | 113.6 | 93% | 0.93 | 66% | 0.661 | S | S | * | * | trans | -141.3 | 132 | 147.8 | -91.8 | -176.5 | 19.7 | 0 | 0 | 111.4 | ||||
| 71 | T | 34.1 | Very low | 56.1 | Low | 137 Ų | 137 | 117 Ų | 117 | 84% | 0.84 | 67% | 0.673 | S | S | * | * | trans | -88.7 | 133.4 | -179.8 | 38.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 72 | A | 41.8 | Very low | 57.6 | Low | 97 Ų | 97 | 113.7 Ų | 113.7 | 80% | 0.802 | 66% | 0.655 | S | S | * | * | trans | 46.9 | 109.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 73 | K | 35.8 | Very low | 59.2 | Low | 207 Ų | 207 | 113 Ų | 113 | 90% | 0.9 | 65% | 0.652 | S | S | * | * | -176 | 125.7 | 116.1 | -109.8 | 175.7 | 177.9 | 176.4 | 0 | 110.4 | T75 | K73-T75 PolarHBondContact O-N 2.95Š| |||
| 74 | S | 47.2 | Very low | 60.6 | Low | 115 Ų | 115 | 108.8 Ų | 108.8 | 80% | 0.804 | 64% | 0.638 | S | S | * | * | trans | -78 | 103.2 | 176.4 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 75 | T | 47.7 | Very low | 62.4 | Low | 114 Ų | 114 | 102.9 Ų | 102.9 | 70% | 0.699 | 61% | 0.611 | S | S | * | * | trans | -118.8 | 121.7 | 149.1 | 43 | 0 | 0 | 0 | 0 | 106.1 | K73 S77 | K73-T75 PolarHBondContact O-N 2.95Å; T75-S77 PolarHBondContact O-N 3.02Å; T75-S77 PolarHBondContact O-OG 2.72Å | ||
| 76 | N | 61.9 | Low | 64.2 | Low | 160 Ų | 160 | 105.3 Ų | 105.3 | 86% | 0.856 | 62% | 0.616 | S | S | * | * | trans | -68.7 | 77.1 | -177.9 | -85.4 | -14.9 | 0 | 0 | 0 | 110.4 | T78 | N76-T78 PolarHBondContact O-N 2.71Š| ||
| 77 | S | 69.8 | Low | 66.1 | Low | 58 Ų | 58 | 105.7 Ų | 105.7 | 41% | 0.406 | 60% | 0.603 | S | S | . | * | trans | -95 | 76.8 | 178.2 | -39.4 | 0 | 0 | 0 | 0 | 109.1 | T75 | T75-S77 PolarHBondContact O-N 3.02Å; T75-S77 PolarHBondContact O-OG 2.72Å | ||
| 78 | T | 82.6 | Confident | 67.9 | Low | 82 Ų | 82 | 99.9 Ų | 99.9 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | B | Isolated β-bridge | trans | -113.6 | 141.9 | 178.8 | 57.1 | 0 | 0 | 0 | 0 | 111 | N76 H95 | N76-T78 PolarHBondContact O-N 2.71Å; T78-H95 CarbonylContact C-O 3.55Å; T78-H95 WeakPolarHBondContact CA-O 3.22Å |
| 79 | C | 85.7 | Confident | 69.7 | Low | 3 Ų | 3 | 104.3 Ų | 104.3 | 2% | 0.02 | 57% | 0.566 | C | S | . | * | P | Polyproline II helix | trans | -62.8 | 156.1 | 172.5 | -73.1 | 0 | 0 | 0 | 0 | 111.8 | H95 C119 W125 | C79-H95 PolarHBondContact N-O 3.42Å; C79-C119 HydrophobicContact CB-CB 3.83Å; C79-C119 WeakPolarHBondContact CB-SG 3.16Å; C79-C119 WeakPolarHBondContact SG-CA 3.44Å; C79-C119 WeakPolarHBondContact SG-CB 3.07Å; C79-C119 CovalentContact SG-SG 2.02Å; C79-C119 PolarHBondContact SG-SG 2.82Å; C79-W125 HydrophobicContact CB-CD2 4.29Å; C79-W125 HydrophobicContact CB-CZ2 3.87Å |
| 80 | P | 89 | Confident | 71.7 | Confident | 83 Ų | 83 | 96.7 Ų | 96.7 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 144.1 | 175.6 | -26.3 | 33.8 | 0 | 0 | 0 | 112.2 | L82 L123 W125 | P80-L82 PolarHBondContact O-N 3.24Å; P80-L123 VanDerWaalsContact CD-O 3.29Å; P80-L123 WeakPolarHBondContact CD-O 3.06Å; P80-W125 PolarHBondContact O-NE1 3.03Å |
| 81 | K | 87.7 | Confident | 73.1 | Confident | 150 Ų | 150 | 91.6 Ų | 91.6 | 65% | 0.652 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 126 | 176.7 | -179.9 | -178.3 | 172.9 | -164.4 | 0 | 109.5 | ||
| 82 | L | 86.9 | Confident | 74.9 | Confident | 17 Ų | 17 | 86.8 Ų | 86.8 | 9% | 0.089 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -89.8 | 139.7 | 170.2 | -61 | -178.8 | 0 | 0 | 0 | 110.3 | P80 K90 F103 R117 W125 | P80-L82 PolarHBondContact O-N 3.24Å; L82-K90 HydrophobicContact CB-CD 4.18Å; L82-K90 WeakPolarHBondContact O-CD 3.42Å; L82-K90 WeakPolarHBondContact O-CE 3.41Å; L82-K90 PolarHBondContact O-NZ 3.21Å; L82-F103 HydrophobicContact CB-CZ 4.15Å; L82-F103 HydrophobicContact CD1-CE2 4.27Å; L82-F103 HydrophobicContact CD1-CZ 3.78Å; L82-R117 HydrophobicContact CD1-CB 4.36Å; L82-W125 HydrophobicContact CD1-CB 4.46Å; L82-W125 HydrophobicContact CD1-CD2 3.54Å; L82-W125 HydrophobicContact CD1-CE3 4.01Å; L82-W125 HydrophobicContact CD1-CG 3.73Å; L82-W125 HydrophobicContact CD1-CZ2 4.18Å; L82-W125 HydrophobicContact CD2-CG 4.1Å; L82-W125 HydrophobicContact CG-CD2 4.09Å; L82-W125 HydrophobicContact CG-CG 4.1Å; L82-W125 HydrophobicContact CG-CZ2 4.3Å |
| 83 | D | 87.7 | Confident | 76 | Confident | 107 Ų | 107 | 92.1 Ų | 92.1 | 57% | 0.572 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -93.6 | 159.2 | 173.2 | -64.4 | -47.1 | 0 | 0 | 0 | 111.2 | Q129 | D83-Q129 PolarHBondContact O-NE2 3.32Š|
| 84 | A | 85.3 | Confident | 77.8 | Confident | 53 Ų | 53 | 84.5 Ų | 84.5 | 44% | 0.438 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 141.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | K90 | A84-K90 HydrophobicContact CB-CB 3.98Š|
| 85 | P | 87.4 | Confident | 79.5 | Confident | 12 Ų | 12 | 81 Ų | 81 | 8% | 0.078 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 148.2 | 171.8 | 25.3 | -32.1 | 0 | 0 | 0 | 110.3 | N87 G88 F103 | P85-N87 PolarHBondContact O-N 3.42Å; P85-G88 CarbonylContact O-C 3.59Å; P85-G88 PolarHBondContact O-N 2.83Å; P85-F103 HydrophobicContact CG-CD1 4.36Å |
| 86 | I | 88.4 | Confident | 81.1 | Confident | 145 Ų | 145 | 76.4 Ų | 76.4 | 74% | 0.744 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | 135.6 | 170.4 | -60.6 | 171.2 | 0 | 0 | 0 | 107.7 | G88 C132 | I86-G88 VanDerWaalsContact C-N 3.26Å; I86-G88 PolarHBondContact O-N 2.71Å; I86-C132 WeakPolarHBondContact O-CB 3.29Å |
| 87 | N | 87.8 | Confident | 82.3 | Confident | 68 Ų | 68 | 71.8 Ų | 71.8 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 35.1 | -172.2 | -51.4 | -31.5 | 0 | 0 | 0 | 113.5 | P85 D106 Y109 C132 | P85-N87 PolarHBondContact O-N 3.42Å; N87-D106 VanDerWaalsContact C-OD2 3.23Å; N87-D106 PolarHBondContact O-N 2.9Å; N87-Y109 HydrophobicContact CB-CD1 3.95Å; N87-Y109 HydrophobicContact CB-CD2 3.98Å; N87-Y109 HydrophobicContact CB-CE1 3.86Å; N87-Y109 HydrophobicContact CB-CE2 3.88Å; N87-Y109 HydrophobicContact CB-CG 4.04Å; N87-Y109 WeakPolarHBondContact ND2-CE1 3.47Å; N87-Y109 PolarHBondContact ND2-OH 2.94Å; N87-C132 HydrophobicContact CB-CB 4.5Å |
| 88 | G | 84 | Confident | 82.7 | Confident | 13 Ų | 13 | 71.7 Ų | 71.7 | 13% | 0.134 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | -178.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P85 I86 L104 | P85-G88 CarbonylContact O-C 3.59Å; P85-G88 PolarHBondContact O-N 2.83Å; I86-G88 VanDerWaalsContact C-N 3.26Å; I86-G88 PolarHBondContact O-N 2.71Å; G88-L104 CarbonylContact C-O 3.55Å; G88-L104 WeakPolarHBondContact CA-O 3.05Å |
| 89 | R | 82.6 | Confident | 82.7 | Confident | 160 Ų | 160 | 72.1 Ų | 72.1 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 143.6 | -170.5 | -55.1 | -178.9 | -165.4 | -135 | -2.2 | 110.3 | F103 L104 D106 | R89-F103 WeakPolarHBondContact O-CA 3.27Å; R89-L104 PolarHBondContact N-O 2.8Å; R89-L104 PolarHBondContact O-N 2.84Å; R89-D106 IonicContact CZ-OD1 3.91Å; R89-D106 IonicContact NE-OD1 3.95Å; R89-D106 PolarHBondContact NE-OD1 2.04Å; R89-D106 IonicContact NH2-OD1 3.63Å; R89-D106 PolarHBondContact NH2-OD1 3.23Å |
| 90 | K | 86.9 | Confident | 82.7 | Confident | 51 Ų | 51 | 74.9 Ų | 74.9 | 22% | 0.222 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 126.9 | 174.1 | -174.1 | -171.6 | 78.1 | 164.9 | 0 | 110.1 | L82 A84 V101 H102 F103 | L82-K90 HydrophobicContact CB-CD 4.18Å; L82-K90 WeakPolarHBondContact O-CD 3.42Å; L82-K90 WeakPolarHBondContact O-CE 3.41Å; L82-K90 PolarHBondContact O-NZ 3.21Å; A84-K90 HydrophobicContact CB-CB 3.98Å; K90-V101 HydrophobicContact CD-CG1 3.69Å; K90-V101 HydrophobicContact CG-CG1 3.34Å; K90-H102 CarbonylContact C-O 3.22Å; K90-F103 HydrophobicContact CB-CD1 4.07Å; K90-F103 HydrophobicContact CB-CE1 3.95Å; K90-F103 HydrophobicContact CD-CE1 3.93Å; K90-F103 HydrophobicContact CD-CZ 4.28Å; K90-F103 HydrophobicContact CG-CD1 4.03Å; K90-F103 HydrophobicContact CG-CE1 3.56Å; K90-F103 HydrophobicContact CG-CZ 4.1Å |
| 91 | L | 75.6 | Confident | 82.4 | Confident | 92 Ų | 92 | 71 Ų | 71 | 48% | 0.482 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.4 | 175 | -59.2 | -178.7 | 0 | 0 | 0 | 110.1 | V101 H102 L104 | L91-V101 WeakPolarHBondContact O-CA 3.37Å; L91-V101 WeakPolarHBondContact O-CG1 3.37Å; L91-H102 HydrophobicContact CB-CB 4.26Å; L91-H102 PolarHBondContact N-O 3.46Å; L91-H102 PolarHBondContact O-N 2.82Å; L91-L104 HydrophobicContact CD1-CD1 3.51Å; L91-L104 HydrophobicContact CD1-CG 4.26Å; L91-L104 HydrophobicContact CG-CD1 4.17Å |
| 92 | G | 71.2 | Confident | 82.1 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 37% | 0.371 | 37% | 0.367 | S | S | . | . | trans | 121.4 | 122.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 93 | K | 65.8 | Low | 82 | Confident | 209 Ų | 209 | 66.5 Ų | 66.5 | 91% | 0.909 | 36% | 0.363 | S | S | * | . | trans | -103.9 | -17 | -175.9 | -65.6 | -176.5 | 179.4 | -179.1 | 0 | 113.8 | ||||
| 94 | S | 73.1 | Confident | 81.6 | Confident | 47 Ų | 47 | 65.3 Ų | 65.3 | 33% | 0.329 | 36% | 0.356 | S | S | . | . | trans | -95.5 | 138.6 | -178.1 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | H99 | S94-H99 VanDerWaalsContact CB-CE1 3.48Å; S94-H99 WeakPolarHBondContact CB-CE1 3.46Å; S94-H99 WeakPolarHBondContact CB-ND1 3.32Å; S94-H99 PolarHBondContact OG-CD2 3.31Å; S94-H99 PolarHBondContact OG-CE1 3.47Å; S94-H99 VanDerWaalsContact OG-CE1 3.27Å; S94-H99 PolarHBondContact OG-ND1 2.87Å; S94-H99 PolarHBondContact OG-NE2 3.43Å | ||
| 95 | H | 81.8 | Confident | 81.5 | Confident | 42 Ų | 42 | 64.2 Ų | 64.2 | 19% | 0.194 | 35% | 0.345 | C | S | . | . | trans | -116.9 | 17 | 177.3 | -47.6 | 142 | 0 | 0 | 0 | 111.7 | T78 C79 C119 W125 | T78-H95 CarbonylContact C-O 3.55Å; T78-H95 WeakPolarHBondContact CA-O 3.22Å; C79-H95 PolarHBondContact N-O 3.42Å; H95-C119 PolarHBondContact O-SG 3.41Å; H95-C119 VanDerWaalsContact O-SG 3.41Å; H95-W125 HydrophobicContact CB-CZ2 4.22Å | ||
| 96 | G | 82.5 | Confident | 81.4 | Confident | 16 Ų | 16 | 65.7 Ų | 65.7 | 17% | 0.165 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -70 | 157 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G98 H99 C119 | G96-G98 PolarHBondContact O-N 2.92Å; G96-H99 WeakPolarHBondContact O-CB 3.49Å; G96-H99 PolarHBondContact O-CD2 2.99Å; G96-H99 PolarHBondContact O-N 3.45Å; G96-C119 WeakPolarHBondContact O-CB 3.06Å |
| 97 | V | 85.6 | Confident | 80.9 | Confident | 63 Ų | 63 | 63.7 Ų | 63.7 | 38% | 0.382 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 132.7 | 174.9 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | H99 E121 L123 | V97-H99 VanDerWaalsContact C-N 3.35Å; V97-E121 HydrophobicContact CG1-CB 4.33Å; V97-E121 HydrophobicContact CG1-CG 3.68Å; V97-L123 HydrophobicContact CG2-CD2 4Å |
| 98 | G | 79.9 | Confident | 80.2 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 59% | 0.588 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | -8.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | G96 C119 | G96-G98 PolarHBondContact O-N 2.92Å; G98-C119 PolarHBondContact N-O 3.32Å |
| 99 | H | 80.9 | Confident | 80.2 | Confident | 90 Ų | 90 | 62.9 Ų | 62.9 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | trans | -77.5 | 137.2 | 175 | -76 | -87.9 | 0 | 0 | 0 | 112.4 | S94 G96 V97 V118 C119 | S94-H99 VanDerWaalsContact CB-CE1 3.48Å; S94-H99 WeakPolarHBondContact CB-CE1 3.46Å; S94-H99 WeakPolarHBondContact CB-ND1 3.32Å; S94-H99 PolarHBondContact OG-CD2 3.31Å; S94-H99 PolarHBondContact OG-CE1 3.47Å; S94-H99 VanDerWaalsContact OG-CE1 3.27Å; S94-H99 PolarHBondContact OG-ND1 2.87Å; S94-H99 PolarHBondContact OG-NE2 3.43Å; G96-H99 WeakPolarHBondContact O-CB 3.49Å; G96-H99 PolarHBondContact O-CD2 2.99Å; G96-H99 PolarHBondContact O-N 3.45Å; V97-H99 VanDerWaalsContact C-N 3.35Å; H99-V118 WeakPolarHBondContact O-CA 3.19Å; H99-C119 PolarHBondContact O-N 3.03Å | ||
| 100 | E | 85.9 | Confident | 80.3 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 29% | 0.29 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 136.3 | 176.8 | -172.2 | 171.2 | -165.5 | 0 | 0 | 110.2 | K59 H102 S116 R117 V118 | K59-E100 IonicContact NZ-OE1 2.66Å; K59-E100 IonicContact NZ-OE2 2.69Å; K59-E100 PolarHBondContact NZ-OE2 2.03Å; E100-H102 IonicContact OE1-CE1 3.18Å; E100-H102 PolarHBondContact OE1-CE1 2.92Å; E100-H102 IonicContact OE1-NE2 3.28Å; E100-H102 IonicContact OE2-NE2 3.07Å; E100-S116 VanDerWaalsContact OE1-CB 3.26Å; E100-S116 WeakPolarHBondContact OE1-CB 3.32Å; E100-S116 PolarHBondContact OE1-OG 3.29Å; E100-R117 CarbonylContact C-O 3.57Å; E100-R117 WeakPolarHBondContact CA-O 3.44Å; E100-V118 HydrophobicContact CB-CG2 4.04Å; E100-V118 HydrophobicContact CG-CG2 3.9Å |
| 101 | V | 84.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 131.9 | 176 | 173.4 | 0 | 0 | 0 | 0 | 108.1 | K90 L91 F103 S116 R117 W125 | K90-V101 HydrophobicContact CD-CG1 3.69Å; K90-V101 HydrophobicContact CG-CG1 3.34Å; L91-V101 WeakPolarHBondContact O-CA 3.37Å; L91-V101 WeakPolarHBondContact O-CG1 3.37Å; V101-F103 HydrophobicContact CG1-CE1 4.36Å; V101-F103 HydrophobicContact CG1-CE2 3.9Å; V101-F103 HydrophobicContact CG1-CZ 3.77Å; V101-S116 CarbonylContact O-C 3.55Å; V101-S116 VanDerWaalsContact O-CA 3.25Å; V101-S116 WeakPolarHBondContact O-CA 3.48Å; V101-R117 PolarHBondContact N-O 3.11Å; V101-R117 PolarHBondContact O-N 3.38Å; V101-W125 HydrophobicContact CB-CH2 4.29Å; V101-W125 HydrophobicContact CB-CZ3 4.18Å; V101-W125 HydrophobicContact CG2-CH2 3.44Å; V101-W125 VanDerWaalsContact CG2-CH2 3.44Å; V101-W125 HydrophobicContact CG2-CZ2 4.3Å; V101-W125 HydrophobicContact CG2-CZ3 3.78Å |
| 102 | H | 80.7 | Confident | 81.1 | Confident | 73 Ų | 73 | 58.2 Ų | 58.2 | 34% | 0.338 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 149.9 | 179 | -66.4 | -89 | 0 | 0 | 0 | 111.2 | K90 L91 E100 E115 S116 | K90-H102 CarbonylContact C-O 3.22Å; L91-H102 HydrophobicContact CB-CB 4.26Å; L91-H102 PolarHBondContact N-O 3.46Å; L91-H102 PolarHBondContact O-N 2.82Å; E100-H102 IonicContact OE1-CE1 3.18Å; E100-H102 PolarHBondContact OE1-CE1 2.92Å; E100-H102 IonicContact OE1-NE2 3.28Å; E100-H102 IonicContact OE2-NE2 3.07Å; H102-E115 WeakPolarHBondContact CA-O 3.03Å; H102-S116 VanDerWaalsContact CE1-CB 3.47Å; H102-S116 WeakPolarHBondContact CE1-CB 3.38Å; H102-S116 VanDerWaalsContact ND1-CB 3.3Å; H102-S116 WeakPolarHBondContact ND1-CB 3.16Å |
| 103 | F | 85.6 | Confident | 82 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138.8 | 178.1 | -61.1 | -86.7 | 0 | 0 | 0 | 110.1 | L82 P85 R89 K90 V101 I111 E115 R117 P130 | L82-F103 HydrophobicContact CB-CZ 4.15Å; L82-F103 HydrophobicContact CD1-CE2 4.27Å; L82-F103 HydrophobicContact CD1-CZ 3.78Å; P85-F103 HydrophobicContact CG-CD1 4.36Å; R89-F103 WeakPolarHBondContact O-CA 3.27Å; K90-F103 HydrophobicContact CB-CD1 4.07Å; K90-F103 HydrophobicContact CB-CE1 3.95Å; K90-F103 HydrophobicContact CD-CE1 3.93Å; K90-F103 HydrophobicContact CD-CZ 4.28Å; K90-F103 HydrophobicContact CG-CD1 4.03Å; K90-F103 HydrophobicContact CG-CE1 3.56Å; K90-F103 HydrophobicContact CG-CZ 4.1Å; V101-F103 HydrophobicContact CG1-CE1 4.36Å; V101-F103 HydrophobicContact CG1-CE2 3.9Å; V101-F103 HydrophobicContact CG1-CZ 3.77Å; F103-I111 HydrophobicContact CB-CD1 4.01Å; F103-E115 PolarHBondContact N-O 2.84Å; F103-R117 HydrophobicContact CE2-CB 4.37Å; F103-R117 HydrophobicContact CE2-CG 3.92Å; F103-P130 HydrophobicContact CB-CB 4.39Å; F103-P130 HydrophobicContact CB-CG 3.51Å; F103-P130 HydrophobicContact CD1-CG 3.86Å; F103-P130 HydrophobicContact CD2-CG 3.42Å; F103-P130 VanDerWaalsContact CD2-CG 3.42Å; F103-P130 HydrophobicContact CE1-CG 4.41Å; F103-P130 HydrophobicContact CE2-CG 4.06Å; F103-P130 HydrophobicContact CG-CG 3.3Å; F103-P130 HydrophobicContact CZ-CG 4.5Å |
| 104 | L | 77.9 | Confident | 83.1 | Confident | 82 Ų | 82 | 49.9 Ų | 49.9 | 43% | 0.429 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 140.8 | 178.6 | -62.6 | 172.8 | 0 | 0 | 0 | 108.2 | G88 R89 L91 | G88-L104 CarbonylContact C-O 3.55Å; G88-L104 WeakPolarHBondContact CA-O 3.05Å; R89-L104 PolarHBondContact N-O 2.8Å; R89-L104 PolarHBondContact O-N 2.84Å; L91-L104 HydrophobicContact CD1-CD1 3.51Å; L91-L104 HydrophobicContact CD1-CG 4.26Å; L91-L104 HydrophobicContact CG-CD1 4.17Å |
| 105 | C | 84.5 | Confident | 83.6 | Confident | 30 Ų | 30 | 53.7 Ų | 53.7 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 151.3 | 169.9 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | Y109 C132 | C105-Y109 WeakPolarHBondContact CB-O 3.05Å; C105-C132 WeakPolarHBondContact CA-SG 3.07Å; C105-C132 HydrophobicContact CB-CB 3.75Å; C105-C132 WeakPolarHBondContact CB-SG 3.43Å; C105-C132 WeakPolarHBondContact SG-CA 3.02Å; C105-C132 WeakPolarHBondContact SG-CB 3.43Å; C105-C132 CovalentContact SG-SG 2.04Å; C105-C132 PolarHBondContact SG-SG 3.18Å |
| 106 | D | 84.9 | Confident | 83.9 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 23% | 0.23 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 158.2 | 170.9 | -68.9 | -45.4 | 0 | 0 | 0 | 109.7 | N87 R89 G108 Y109 | N87-D106 VanDerWaalsContact C-OD2 3.23Å; N87-D106 PolarHBondContact O-N 2.9Å; R89-D106 IonicContact CZ-OD1 3.91Å; R89-D106 IonicContact NE-OD1 3.95Å; R89-D106 PolarHBondContact NE-OD1 2.04Å; R89-D106 IonicContact NH2-OD1 3.63Å; R89-D106 PolarHBondContact NH2-OD1 3.23Å; D106-G108 PolarHBondContact O-N 3.26Å; D106-Y109 PolarHBondContact O-N 2.97Å; D106-Y109 VanDerWaalsContact O-N 3.16Å |
| 107 | P | 78.6 | Confident | 84.1 | Confident | 102 Ų | 102 | 54.1 Ų | 54.1 | 66% | 0.662 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 136.6 | -179.9 | -25.5 | 35 | 0 | 0 | 0 | 112.5 | ||
| 108 | G | 72.8 | Confident | 84.4 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 9% | 0.093 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -5.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D106 S135 N154 | D106-G108 PolarHBondContact O-N 3.26Å; G108-S135 VanDerWaalsContact O-CB 3.29Å; G108-S135 WeakPolarHBondContact O-CB 3.29Å; G108-S135 PolarHBondContact O-N 2.87Å; G108-N154 VanDerWaalsContact CA-CB 3.49Å; G108-N154 PolarHBondContact N-OD1 2.87Å; G108-N154 VanDerWaalsContact N-OD1 3.1Å |
| 109 | Y | 82.4 | Confident | 84.9 | Confident | 55 Ų | 55 | 50.6 Ų | 50.6 | 22% | 0.216 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 137.8 | 179.6 | -64.6 | -97.2 | 0 | 0 | 0 | 111.6 | N87 C105 D106 C132 R133 D134 V153 | N87-Y109 HydrophobicContact CB-CD1 3.95Å; N87-Y109 HydrophobicContact CB-CD2 3.98Å; N87-Y109 HydrophobicContact CB-CE1 3.86Å; N87-Y109 HydrophobicContact CB-CE2 3.88Å; N87-Y109 HydrophobicContact CB-CG 4.04Å; N87-Y109 WeakPolarHBondContact ND2-CE1 3.47Å; N87-Y109 PolarHBondContact ND2-OH 2.94Å; C105-Y109 WeakPolarHBondContact CB-O 3.05Å; D106-Y109 PolarHBondContact O-N 2.97Å; D106-Y109 VanDerWaalsContact O-N 3.16Å; Y109-C132 HydrophobicContact CD1-CB 4.36Å; Y109-C132 HydrophobicContact CG-CB 4.42Å; Y109-R133 CarbonylContact C-O 3.57Å; Y109-R133 VanDerWaalsContact CA-O 3.25Å; Y109-R133 WeakPolarHBondContact CA-O 3.37Å; Y109-D134 HydrophobicContact CD1-CB 4.33Å; Y109-D134 HydrophobicContact CE1-CB 4.11Å; Y109-V153 HydrophobicContact CD2-CG1 4.35Å; Y109-V153 HydrophobicContact CE2-CG1 3.47Å; Y109-V153 VanDerWaalsContact CE2-CG1 3.47Å |
| 110 | E | 84.9 | Confident | 85.3 | Confident | 82 Ų | 82 | 50.5 Ų | 50.5 | 38% | 0.383 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 146.6 | 172.7 | 59.9 | 170.4 | -173.1 | 0 | 0 | 111.8 | C132 R133 | E110-C132 WeakPolarHBondContact O-CA 3.3Å; E110-R133 HydrophobicContact CG-CB 4.38Å; E110-R133 WeakPolarHBondContact CG-O 3.49Å; E110-R133 PolarHBondContact N-O 3.43Å; E110-R133 PolarHBondContact O-N 2.99Å; E110-R133 IonicContact OE1-CZ 3.62Å; E110-R133 VanDerWaalsContact OE1-CZ 3.28Å; E110-R133 IonicContact OE1-NE 3.34Å; E110-R133 PolarHBondContact OE1-NE 3.16Å; E110-R133 IonicContact OE1-NH2 2.68Å; E110-R133 PolarHBondContact OE1-NH2 3.4Å |
| 111 | I | 87.5 | Confident | 85.3 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 32% | 0.323 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 123.2 | 179.7 | -166.6 | 163.9 | 0 | 0 | 0 | 111 | F103 E115 P130 | F103-I111 HydrophobicContact CB-CD1 4.01Å; I111-E115 HydrophobicContact CD1-CB 4.29Å; I111-E115 HydrophobicContact CD1-CG 4.39Å; I111-P130 HydrophobicContact CD1-CB 3.73Å; I111-P130 HydrophobicContact CD1-CG 4.32Å; I111-P130 HydrophobicContact CG1-CB 3.65Å |
| 112 | V | 91.4 | Very high | 85.5 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 36% | 0.364 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 108.4 | 173.4 | -177.2 | 0 | 0 | 0 | 0 | 108.4 | P130 T131 R133 | V112-P130 CarbonylContact O-C 3.56Å; V112-P130 WeakPolarHBondContact O-CA 3.5Å; V112-T131 PolarHBondContact N-O 2.83Å; V112-T131 PolarHBondContact O-N 3.35Å; V112-T131 PolarHBondContact O-OG1 3.1Å; V112-R133 HydrophobicContact CG2-CB 4.07Å |
| 113 | G | 90.7 | Very high | 85.7 | Confident | 39 Ų | 39 | 59.6 Ų | 59.6 | 40% | 0.402 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 129.6 | -151.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 114 | S | 89.6 | Confident | 85.9 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | trans | -90.7 | 119.5 | -179 | -58 | 0 | 0 | 0 | 0 | 112 | S116 G127 Q128 P130 | S114-S116 PolarHBondContact O-N 3.05Å; S114-G127 VanDerWaalsContact OG-CA 3.28Å; S114-G127 WeakPolarHBondContact OG-CA 3.01Å; S114-Q128 WeakPolarHBondContact CB-O 3.45Å; S114-Q128 PolarHBondContact N-O 3.22Å; S114-Q128 VanDerWaalsContact N-O 3.11Å; S114-Q128 PolarHBondContact OG-N 2.9Å; S114-Q128 PolarHBondContact OG-O 3.41Å; S114-P130 WeakPolarHBondContact O-CG 3.47Å | ||
| 115 | E | 83.4 | Confident | 86.5 | Confident | 126 Ų | 126 | 60 Ų | 60 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -62.4 | -29 | 177 | -170.4 | -174.5 | 176.9 | 0 | 0 | 113.1 | H102 F103 I111 | H102-E115 WeakPolarHBondContact CA-O 3.03Å; F103-E115 PolarHBondContact N-O 2.84Å; I111-E115 HydrophobicContact CD1-CB 4.29Å; I111-E115 HydrophobicContact CD1-CG 4.39Å |
| 116 | S | 87.8 | Confident | 86.8 | Confident | 39 Ų | 39 | 60.8 Ų | 60.8 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 151.1 | 170.2 | 78.5 | 0 | 0 | 0 | 0 | 112.5 | E100 V101 H102 S114 | E100-S116 VanDerWaalsContact OE1-CB 3.26Å; E100-S116 WeakPolarHBondContact OE1-CB 3.32Å; E100-S116 PolarHBondContact OE1-OG 3.29Å; V101-S116 CarbonylContact O-C 3.55Å; V101-S116 VanDerWaalsContact O-CA 3.25Å; V101-S116 WeakPolarHBondContact O-CA 3.48Å; H102-S116 VanDerWaalsContact CE1-CB 3.47Å; H102-S116 WeakPolarHBondContact CE1-CB 3.38Å; H102-S116 VanDerWaalsContact ND1-CB 3.3Å; H102-S116 WeakPolarHBondContact ND1-CB 3.16Å; S114-S116 PolarHBondContact O-N 3.05Å |
| 117 | R | 87.9 | Confident | 87.1 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 11% | 0.106 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 139.6 | 179.9 | -57.7 | -174.9 | 72.3 | -173.8 | 5.8 | 109.4 | L82 E100 V101 F103 W125 T126 G127 | L82-R117 HydrophobicContact CD1-CB 4.36Å; E100-R117 CarbonylContact C-O 3.57Å; E100-R117 WeakPolarHBondContact CA-O 3.44Å; V101-R117 PolarHBondContact N-O 3.11Å; V101-R117 PolarHBondContact O-N 3.38Å; F103-R117 HydrophobicContact CE2-CB 4.37Å; F103-R117 HydrophobicContact CE2-CG 3.92Å; R117-W125 HydrophobicContact CB-CB 4.49Å; R117-W125 HydrophobicContact CB-CE3 3.85Å; R117-W125 PolarHBondContact NH2-O 2.04Å; R117-W125 WeakPolarHBondContact O-CZ3 3.41Å; R117-T126 WeakPolarHBondContact CB-O 3.36Å; R117-T126 WeakPolarHBondContact CG-O 3.35Å; R117-T126 PolarHBondContact NE-O 3.37Å; R117-G127 PolarHBondContact NH2-O 3.27Å |
| 118 | V | 91.6 | Very high | 87.7 | Confident | 46 Ų | 46 | 63 Ų | 63 | 28% | 0.279 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 135.2 | -178.5 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | H99 E100 Q120 T126 | H99-V118 WeakPolarHBondContact O-CA 3.19Å; E100-V118 HydrophobicContact CB-CG2 4.04Å; E100-V118 HydrophobicContact CG-CG2 3.9Å; V118-Q120 PolarHBondContact O-N 3.37Å; V118-T126 HydrophobicContact CB-CG2 4.47Å; V118-T126 PolarHBondContact N-OG1 2.82Å; V118-T126 PolarHBondContact O-N 3.36Å; V118-T126 PolarHBondContact O-OG1 2.83Å |
| 119 | C | 89.7 | Confident | 88.4 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.007 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -76.6 | 119.8 | 175.8 | 176.1 | 0 | 0 | 0 | 0 | 110 | C79 H95 G96 G98 H99 W125 | C79-C119 HydrophobicContact CB-CB 3.83Å; C79-C119 WeakPolarHBondContact CB-SG 3.16Å; C79-C119 WeakPolarHBondContact SG-CA 3.44Å; C79-C119 WeakPolarHBondContact SG-CB 3.07Å; C79-C119 CovalentContact SG-SG 2.02Å; C79-C119 PolarHBondContact SG-SG 2.82Å; H95-C119 PolarHBondContact O-SG 3.41Å; H95-C119 VanDerWaalsContact O-SG 3.41Å; G96-C119 WeakPolarHBondContact O-CB 3.06Å; G98-C119 PolarHBondContact N-O 3.32Å; H99-C119 PolarHBondContact O-N 3.03Å; C119-W125 HydrophobicContact CB-CD2 4.44Å; C119-W125 HydrophobicContact CB-CE3 4.12Å; C119-W125 HydrophobicContact CB-CH2 3.87Å; C119-W125 HydrophobicContact CB-CZ2 4.23Å; C119-W125 HydrophobicContact CB-CZ3 3.82Å; C119-W125 VanDerWaalsContact N-CZ3 3.3Å |
| 120 | Q | 89.5 | Confident | 88.7 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 41% | 0.411 | 35% | 0.352 | S | S | . | . | trans | -89.5 | 165 | -178.2 | -60.7 | -178.8 | -67.2 | 0 | 0 | 112.2 | V118 S122 L123 T124 T126 | V118-Q120 PolarHBondContact O-N 3.37Å; Q120-S122 WeakPolarHBondContact CB-OG 3.36Å; Q120-S122 PolarHBondContact O-N 3.39Å; Q120-L123 PolarHBondContact O-N 3.36Å; Q120-T124 WeakPolarHBondContact CB-O 3.08Å; Q120-T124 PolarHBondContact N-O 2.79Å; Q120-T124 PolarHBondContact OE1-OG1 2.89Å; Q120-T126 VanDerWaalsContact CD-CG2 3.47Å; Q120-T126 HydrophobicContact CG-CG2 3.59Å | ||
| 121 | E | 86.2 | Confident | 89.1 | Confident | 180 Ų | 180 | 63.5 Ų | 63.5 | 84% | 0.841 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.5 | 173.4 | -69.4 | 176.2 | -173.6 | 0 | 0 | 112.6 | V97 L123 | V97-E121 HydrophobicContact CG1-CB 4.33Å; V97-E121 HydrophobicContact CG1-CG 3.68Å; E121-L123 PolarHBondContact O-N 2.76Å |
| 122 | S | 87.2 | Confident | 89.1 | Confident | 76 Ų | 76 | 61.4 Ų | 61.4 | 53% | 0.531 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 3.4 | 172.4 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | Q120 T124 | Q120-S122 WeakPolarHBondContact CB-OG 3.36Å; Q120-S122 PolarHBondContact O-N 3.39Å; S122-T124 PolarHBondContact O-N 2.95Å; S122-T124 PolarHBondContact OG-OG1 2.89Å |
| 123 | L | 85.3 | Confident | 88.9 | Confident | 70 Ų | 70 | 65.5 Ų | 65.5 | 37% | 0.366 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 60.8 | 24.2 | -176 | -55.5 | 177.6 | 0 | 0 | 0 | 114.6 | P80 V97 Q120 E121 | P80-L123 VanDerWaalsContact CD-O 3.29Å; P80-L123 WeakPolarHBondContact CD-O 3.06Å; V97-L123 HydrophobicContact CG2-CD2 4Å; Q120-L123 PolarHBondContact O-N 3.36Å; E121-L123 PolarHBondContact O-N 2.76Å |
| 124 | T | 89.3 | Confident | 88.4 | Confident | 69 Ų | 69 | 66 Ų | 66 | 42% | 0.423 | 35% | 0.351 | S | S | . | . | trans | -114.6 | 149.4 | 175.5 | 52.7 | 0 | 0 | 0 | 0 | 111 | Q120 S122 | Q120-T124 WeakPolarHBondContact CB-O 3.08Å; Q120-T124 PolarHBondContact N-O 2.79Å; Q120-T124 PolarHBondContact OE1-OG1 2.89Å; S122-T124 PolarHBondContact O-N 2.95Å; S122-T124 PolarHBondContact OG-OG1 2.89Å | ||
| 125 | W | 91.2 | Very high | 88.3 | Confident | 23 Ų | 23 | 66.2 Ų | 66.2 | 9% | 0.087 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -84.3 | 135.8 | 173.9 | -71.1 | 101.8 | 0 | 0 | 0 | 111.2 | C79 P80 L82 H95 V101 R117 C119 | C79-W125 HydrophobicContact CB-CD2 4.29Å; C79-W125 HydrophobicContact CB-CZ2 3.87Å; P80-W125 PolarHBondContact O-NE1 3.03Å; L82-W125 HydrophobicContact CD1-CB 4.46Å; L82-W125 HydrophobicContact CD1-CD2 3.54Å; L82-W125 HydrophobicContact CD1-CE3 4.01Å; L82-W125 HydrophobicContact CD1-CG 3.73Å; L82-W125 HydrophobicContact CD1-CZ2 4.18Å; L82-W125 HydrophobicContact CD2-CG 4.1Å; L82-W125 HydrophobicContact CG-CD2 4.09Å; L82-W125 HydrophobicContact CG-CG 4.1Å; L82-W125 HydrophobicContact CG-CZ2 4.3Å; H95-W125 HydrophobicContact CB-CZ2 4.22Å; V101-W125 HydrophobicContact CB-CH2 4.29Å; V101-W125 HydrophobicContact CB-CZ3 4.18Å; V101-W125 HydrophobicContact CG2-CH2 3.44Å; V101-W125 VanDerWaalsContact CG2-CH2 3.44Å; V101-W125 HydrophobicContact CG2-CZ2 4.3Å; V101-W125 HydrophobicContact CG2-CZ3 3.78Å; R117-W125 HydrophobicContact CB-CB 4.49Å; R117-W125 HydrophobicContact CB-CE3 3.85Å; R117-W125 PolarHBondContact NH2-O 2.04Å; R117-W125 WeakPolarHBondContact O-CZ3 3.41Å; C119-W125 HydrophobicContact CB-CD2 4.44Å; C119-W125 HydrophobicContact CB-CE3 4.12Å; C119-W125 HydrophobicContact CB-CH2 3.87Å; C119-W125 HydrophobicContact CB-CZ2 4.23Å; C119-W125 HydrophobicContact CB-CZ3 3.82Å; C119-W125 VanDerWaalsContact N-CZ3 3.3Å |
| 126 | T | 91.4 | Very high | 88.2 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 28% | 0.276 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -65.1 | 157 | 169.6 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | R117 V118 Q120 | R117-T126 WeakPolarHBondContact CB-O 3.36Å; R117-T126 WeakPolarHBondContact CG-O 3.35Å; R117-T126 PolarHBondContact NE-O 3.37Å; V118-T126 HydrophobicContact CB-CG2 4.47Å; V118-T126 PolarHBondContact N-OG1 2.82Å; V118-T126 PolarHBondContact O-N 3.36Å; V118-T126 PolarHBondContact O-OG1 2.83Å; Q120-T126 VanDerWaalsContact CD-CG2 3.47Å; Q120-T126 HydrophobicContact CG-CG2 3.59Å |
| 127 | G | 90 | Very high | 88.1 | Confident | 46 Ų | 46 | 64.4 Ų | 64.4 | 47% | 0.474 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 69.3 | -177 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S114 R117 | S114-G127 VanDerWaalsContact OG-CA 3.28Å; S114-G127 WeakPolarHBondContact OG-CA 3.01Å; R117-G127 PolarHBondContact NH2-O 3.27Å |
| 128 | Q | 91.2 | Very high | 88 | Confident | 145 Ų | 145 | 64.1 Ų | 64.1 | 68% | 0.678 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -98.1 | 142.3 | -179.1 | -65.8 | 179.4 | -7.8 | 0 | 0 | 110.1 | S114 P130 | S114-Q128 WeakPolarHBondContact CB-O 3.45Å; S114-Q128 PolarHBondContact N-O 3.22Å; S114-Q128 VanDerWaalsContact N-O 3.11Å; S114-Q128 PolarHBondContact OG-N 2.9Å; S114-Q128 PolarHBondContact OG-O 3.41Å; Q128-P130 WeakPolarHBondContact O-CD 3.4Å |
| 129 | Q | 88 | Confident | 87.8 | Confident | 73 Ų | 73 | 65.8 Ų | 65.8 | 34% | 0.341 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 121.1 | 175.4 | 179.3 | 63.2 | 31.8 | 0 | 0 | 109.1 | D83 | D83-Q129 PolarHBondContact O-NE2 3.32Š|
| 130 | P | 89.2 | Confident | 87.5 | Confident | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.013 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 149.1 | -178.5 | 27.7 | -32.9 | 0 | 0 | 0 | 111.5 | F103 I111 V112 S114 Q128 | F103-P130 HydrophobicContact CB-CB 4.39Å; F103-P130 HydrophobicContact CB-CG 3.51Å; F103-P130 HydrophobicContact CD1-CG 3.86Å; F103-P130 HydrophobicContact CD2-CG 3.42Å; F103-P130 VanDerWaalsContact CD2-CG 3.42Å; F103-P130 HydrophobicContact CE1-CG 4.41Å; F103-P130 HydrophobicContact CE2-CG 4.06Å; F103-P130 HydrophobicContact CG-CG 3.3Å; F103-P130 HydrophobicContact CZ-CG 4.5Å; I111-P130 HydrophobicContact CD1-CB 3.73Å; I111-P130 HydrophobicContact CD1-CG 4.32Å; I111-P130 HydrophobicContact CG1-CB 3.65Å; V112-P130 CarbonylContact O-C 3.56Å; V112-P130 WeakPolarHBondContact O-CA 3.5Å; S114-P130 WeakPolarHBondContact O-CG 3.47Å; Q128-P130 WeakPolarHBondContact O-CD 3.4Å |
| 131 | T | 92.4 | Very high | 87.3 | Confident | 82 Ų | 82 | 70.4 Ų | 70.4 | 50% | 0.503 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 147.6 | 169.9 | 55.5 | 0 | 0 | 0 | 0 | 108.8 | V112 | V112-T131 PolarHBondContact N-O 2.83Å; V112-T131 PolarHBondContact O-N 3.35Å; V112-T131 PolarHBondContact O-OG1 3.1Å |
| 132 | C | 88.6 | Confident | 87.4 | Confident | 19 Ų | 19 | 62.9 Ų | 62.9 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 113.7 | 175.9 | -64.9 | 0 | 0 | 0 | 0 | 108.1 | I86 N87 C105 Y109 E110 | I86-C132 WeakPolarHBondContact O-CB 3.29Å; N87-C132 HydrophobicContact CB-CB 4.5Å; C105-C132 WeakPolarHBondContact CA-SG 3.07Å; C105-C132 HydrophobicContact CB-CB 3.75Å; C105-C132 WeakPolarHBondContact CB-SG 3.43Å; C105-C132 WeakPolarHBondContact SG-CA 3.02Å; C105-C132 WeakPolarHBondContact SG-CB 3.43Å; C105-C132 CovalentContact SG-SG 2.04Å; C105-C132 PolarHBondContact SG-SG 3.18Å; Y109-C132 HydrophobicContact CD1-CB 4.36Å; Y109-C132 HydrophobicContact CG-CB 4.42Å; E110-C132 WeakPolarHBondContact O-CA 3.3Å |
| 133 | R | 87.7 | Confident | 87.6 | Confident | 146 Ų | 146 | 60.1 Ų | 60.1 | 55% | 0.551 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 140.4 | 176.5 | -174.8 | 175.2 | 65.1 | -172.5 | 1.5 | 108.6 | Y109 E110 V112 S135 | Y109-R133 CarbonylContact C-O 3.57Å; Y109-R133 VanDerWaalsContact CA-O 3.25Å; Y109-R133 WeakPolarHBondContact CA-O 3.37Å; E110-R133 HydrophobicContact CG-CB 4.38Å; E110-R133 WeakPolarHBondContact CG-O 3.49Å; E110-R133 PolarHBondContact N-O 3.43Å; E110-R133 PolarHBondContact O-N 2.99Å; E110-R133 IonicContact OE1-CZ 3.62Å; E110-R133 VanDerWaalsContact OE1-CZ 3.28Å; E110-R133 IonicContact OE1-NE 3.34Å; E110-R133 PolarHBondContact OE1-NE 3.16Å; E110-R133 IonicContact OE1-NH2 2.68Å; E110-R133 PolarHBondContact OE1-NH2 3.4Å; V112-R133 HydrophobicContact CG2-CB 4.07Å; R133-S135 PolarHBondContact O-N 2.77Å |
| 134 | D | 80.4 | Confident | 87.8 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 26% | 0.262 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 132.4 | 173.6 | -164.4 | 56.2 | 0 | 0 | 0 | 110 | Y109 | Y109-D134 HydrophobicContact CD1-CB 4.33Å; Y109-D134 HydrophobicContact CE1-CB 4.11Å |
| 135 | S | 85.6 | Confident | 87.8 | Confident | 37 Ų | 37 | 61 Ų | 61 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 124.4 | 177.5 | 164.3 | 0 | 0 | 0 | 0 | 108.1 | G108 R133 E137 | G108-S135 VanDerWaalsContact O-CB 3.29Å; G108-S135 WeakPolarHBondContact O-CB 3.29Å; G108-S135 PolarHBondContact O-N 2.87Å; R133-S135 PolarHBondContact O-N 2.77Å; S135-E137 WeakPolarHBondContact CB-OE1 3.48Å; S135-E137 PolarHBondContact O-N 3.39Å; S135-E137 VanDerWaalsContact O-N 3.11Å; S135-E137 PolarHBondContact OG-OE1 2.9Å |
| 136 | N | 82.4 | Confident | 87.5 | Confident | 88 Ų | 88 | 62.9 Ų | 62.9 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | trans | -80.9 | 96.5 | 179.2 | -175.1 | -34.5 | 0 | 0 | 0 | 110.1 | C138 A139 D151 | N136-C138 PolarHBondContact O-N 3.32Å; N136-C138 VanDerWaalsContact OD1-CA 3.27Å; N136-C138 WeakPolarHBondContact OD1-CA 3.42Å; N136-C138 VanDerWaalsContact OD1-CB 3.24Å; N136-C138 WeakPolarHBondContact OD1-CB 3.11Å; N136-C138 PolarHBondContact OD1-N 2.95Å; N136-A139 HydrophobicContact CB-CB 4.48Å; N136-A139 WeakPolarHBondContact O-CB 3.38Å; N136-A139 PolarHBondContact O-N 2.66Å; N136-A139 PolarHBondContact OD1-N 3.07Å; N136-D151 WeakPolarHBondContact CA-OD1 3.47Å; N136-D151 WeakPolarHBondContact CA-OD2 3.46Å | ||
| 137 | E | 85.5 | Confident | 87.3 | Confident | 39 Ų | 39 | 61.5 Ų | 61.5 | 18% | 0.182 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -66.6 | -26.1 | 178.5 | -83 | 77.1 | -117.6 | 0 | 0 | 112 | S135 A139 S140 D151 N154 Q155 F156 | S135-E137 WeakPolarHBondContact CB-OE1 3.48Å; S135-E137 PolarHBondContact O-N 3.39Å; S135-E137 VanDerWaalsContact O-N 3.11Å; S135-E137 PolarHBondContact OG-OE1 2.9Å; E137-A139 VanDerWaalsContact C-N 3.3Å; E137-A139 PolarHBondContact O-N 2.89Å; E137-S140 PolarHBondContact O-OG 3.42Å; E137-S140 VanDerWaalsContact O-OG 3.07Å; E137-D151 PolarHBondContact N-OD1 2.65Å; E137-N154 WeakPolarHBondContact OE2-CA 3.42Å; E137-N154 PolarHBondContact OE2-N 2.83Å; E137-Q155 PolarHBondContact OE2-N 2.85Å; E137-Q155 VanDerWaalsContact OE2-N 3.09Å; E137-F156 HydrophobicContact CB-CB 3.93Å; E137-F156 HydrophobicContact CB-CD1 4.18Å; E137-F156 HydrophobicContact CB-CG 4.5Å |
| 138 | C | 85.8 | Confident | 87.2 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 15% | 0.149 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -72.5 | -14 | 176.4 | -70.1 | 0 | 0 | 0 | 0 | 114.8 | N136 S140 S141 C149 D151 | N136-C138 PolarHBondContact O-N 3.32Å; N136-C138 VanDerWaalsContact OD1-CA 3.27Å; N136-C138 WeakPolarHBondContact OD1-CA 3.42Å; N136-C138 VanDerWaalsContact OD1-CB 3.24Å; N136-C138 WeakPolarHBondContact OD1-CB 3.11Å; N136-C138 PolarHBondContact OD1-N 2.95Å; C138-S140 PolarHBondContact O-N 2.69Å; C138-S140 VanDerWaalsContact O-N 3.1Å; C138-S141 PolarHBondContact O-N 3.37Å; C138-C149 WeakPolarHBondContact CA-SG 3.47Å; C138-C149 HydrophobicContact CB-CB 3.72Å; C138-C149 WeakPolarHBondContact CB-SG 3.16Å; C138-C149 WeakPolarHBondContact SG-CB 3.4Å; C138-C149 CovalentContact SG-SG 2.03Å; C138-C149 PolarHBondContact SG-SG 2.84Å; C138-D151 PolarHBondContact SG-N 2.81Å; C138-D151 VanDerWaalsContact SG-N 3.44Å |
| 139 | A | 86.9 | Confident | 87.2 | Confident | 82 Ų | 82 | 58.5 Ų | 58.5 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -59.6 | -24.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N136 E137 S141 | N136-A139 HydrophobicContact CB-CB 4.48Å; N136-A139 WeakPolarHBondContact O-CB 3.38Å; N136-A139 PolarHBondContact O-N 2.66Å; N136-A139 PolarHBondContact OD1-N 3.07Å; E137-A139 VanDerWaalsContact C-N 3.3Å; E137-A139 PolarHBondContact O-N 2.89Å; A139-S141 VanDerWaalsContact C-N 3.26Å; A139-S141 PolarHBondContact O-N 3.47Å |
| 140 | S | 83.9 | Confident | 87.2 | Confident | 91 Ų | 91 | 57.9 Ų | 57.9 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -80 | -1.6 | 176 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | E137 C138 | E137-S140 PolarHBondContact O-OG 3.42Å; E137-S140 VanDerWaalsContact O-OG 3.07Å; C138-S140 PolarHBondContact O-N 2.69Å; C138-S140 VanDerWaalsContact O-N 3.1Å |
| 141 | S | 86.1 | Confident | 86.8 | Confident | 94 Ų | 94 | 60.5 Ų | 60.5 | 66% | 0.657 | 38% | 0.375 | S | S | * | . | trans | 49 | 58.7 | -173.6 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | C138 A139 C143 | C138-S141 PolarHBondContact O-N 3.37Å; A139-S141 VanDerWaalsContact C-N 3.26Å; A139-S141 PolarHBondContact O-N 3.47Å; S141-C143 VanDerWaalsContact C-N 3.34Å; S141-C143 PolarHBondContact O-N 3.04Å | ||
| 142 | P | 88.1 | Confident | 86.3 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 14% | 0.143 | 37% | 0.365 | C | S | . | . | trans | -75.4 | -19.6 | -171.1 | 31.1 | -36.3 | 0 | 0 | 0 | 114.1 | F156 T168 | P142-F156 HydrophobicContact CB-CD1 4.43Å; P142-F156 HydrophobicContact CB-CD2 4.06Å; P142-F156 HydrophobicContact CB-CE1 3.93Å; P142-F156 HydrophobicContact CB-CE2 3.53Å; P142-F156 HydrophobicContact CB-CG 4.49Å; P142-F156 HydrophobicContact CB-CZ 3.46Å; P142-F156 VanDerWaalsContact CB-CZ 3.46Å; P142-F156 HydrophobicContact CG-CD1 4.03Å; P142-F156 HydrophobicContact CG-CD2 3.45Å; P142-F156 VanDerWaalsContact CG-CD2 3.45Å; P142-F156 HydrophobicContact CG-CE1 4.04Å; P142-F156 HydrophobicContact CG-CE2 3.49Å; P142-F156 VanDerWaalsContact CG-CE2 3.49Å; P142-F156 HydrophobicContact CG-CG 3.76Å; P142-F156 HydrophobicContact CG-CZ 3.79Å; P142-T168 WeakPolarHBondContact O-CB 3.38Å | ||
| 143 | C | 90.7 | Very high | 85.8 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 12% | 0.122 | 38% | 0.381 | C | S | . | . | trans | -81.4 | 124.6 | 179.7 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | S141 C149 C158 | S141-C143 VanDerWaalsContact C-N 3.34Å; S141-C143 PolarHBondContact O-N 3.04Å; C143-C149 HydrophobicContact CB-CB 4.45Å; C143-C149 WeakPolarHBondContact SG-CA 3.11Å; C143-C149 WeakPolarHBondContact SG-CB 3.25Å; C143-C158 WeakPolarHBondContact CA-SG 3.4Å; C143-C158 HydrophobicContact CB-CB 3.84Å; C143-C158 WeakPolarHBondContact CB-SG 3.44Å; C143-C158 WeakPolarHBondContact SG-CA 3.49Å; C143-C158 WeakPolarHBondContact SG-CB 3.45Å; C143-C158 CovalentContact SG-SG 2.02Å; C143-C158 PolarHBondContact SG-SG 2.83Å | ||
| 144 | L | 88.4 | Confident | 85.1 | Confident | 85 Ų | 85 | 60 Ų | 60 | 45% | 0.445 | 38% | 0.379 | S | S | . | . | trans | -93.2 | 170 | -178.2 | -56.1 | 178.4 | 0 | 0 | 0 | 111.5 | G146 G147 T168 C169 Q170 | L144-G146 VanDerWaalsContact C-N 3.29Å; L144-G146 PolarHBondContact O-N 2.83Å; L144-G146 VanDerWaalsContact O-N 3.16Å; L144-G147 PolarHBondContact O-N 2.74Å; L144-T168 WeakPolarHBondContact CB-O 3.47Å; L144-T168 PolarHBondContact N-O 3.3Å; L144-C169 WeakPolarHBondContact O-CB 3.36Å; L144-Q170 HydrophobicContact CD1-CB 4.15Å | ||
| 145 | N | 89.6 | Confident | 85.1 | Confident | 72 Ų | 72 | 63 Ų | 63 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 38.7 | 169.4 | -57 | -53.3 | 0 | 0 | 0 | 115.1 | G147 W164 C169 | N145-G147 VanDerWaalsContact C-N 3.3Å; N145-G147 PolarHBondContact O-N 2.69Å; N145-W164 HydrophobicContact CB-CD2 3.46Å; N145-W164 VanDerWaalsContact CB-CD2 3.46Å; N145-W164 HydrophobicContact CB-CE3 3.81Å; N145-W164 HydrophobicContact CB-CG 3.77Å; N145-W164 HydrophobicContact CB-CH2 4.35Å; N145-W164 HydrophobicContact CB-CZ2 4.04Å; N145-W164 HydrophobicContact CB-CZ3 4.25Å; N145-W164 WeakPolarHBondContact ND2-CZ3 3.46Å; N145-C169 PolarHBondContact ND2-O 3.18Å |
| 146 | G | 85.5 | Confident | 85 | Confident | 64 Ų | 64 | 64 Ų | 64 | 66% | 0.66 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 16.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L144 | L144-G146 VanDerWaalsContact C-N 3.29Å; L144-G146 PolarHBondContact O-N 2.83Å; L144-G146 VanDerWaalsContact O-N 3.16Å |
| 147 | G | 87.3 | Confident | 85.2 | Confident | 15 Ų | 15 | 61.7 Ų | 61.7 | 16% | 0.155 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 143.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L144 N145 V159 | L144-G147 PolarHBondContact O-N 2.74Å; N145-G147 VanDerWaalsContact C-N 3.3Å; N145-G147 PolarHBondContact O-N 2.69Å; G147-V159 CarbonylContact C-O 3.58Å; G147-V159 VanDerWaalsContact CA-O 3.3Å; G147-V159 WeakPolarHBondContact CA-O 3.3Å |
| 148 | T | 88.8 | Confident | 85.3 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 56% | 0.564 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 123.6 | 175.1 | -56 | 0 | 0 | 0 | 0 | 109.4 | V159 | T148-V159 PolarHBondContact N-O 2.81Å; T148-V159 PolarHBondContact O-N 2.88Å |
| 149 | C | 90.6 | Very high | 85.4 | Confident | 37 Ų | 37 | 64 Ų | 64 | 25% | 0.25 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 132.3 | 176.5 | -166.4 | 0 | 0 | 0 | 0 | 111 | C138 C143 | C138-C149 WeakPolarHBondContact CA-SG 3.47Å; C138-C149 HydrophobicContact CB-CB 3.72Å; C138-C149 WeakPolarHBondContact CB-SG 3.16Å; C138-C149 WeakPolarHBondContact SG-CB 3.4Å; C138-C149 CovalentContact SG-SG 2.03Å; C138-C149 PolarHBondContact SG-SG 2.84Å; C143-C149 HydrophobicContact CB-CB 4.45Å; C143-C149 WeakPolarHBondContact SG-CA 3.11Å; C143-C149 WeakPolarHBondContact SG-CB 3.25Å |
| 150 | V | 87.9 | Confident | 85.2 | Confident | 60 Ų | 60 | 62 Ų | 62 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.1 | 173 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | F156 S157 V159 | V150-F156 WeakPolarHBondContact O-CA 3.36Å; V150-S157 PolarHBondContact N-O 2.92Å; V150-S157 PolarHBondContact O-N 2.94Å; V150-V159 HydrophobicContact CG2-CG2 4.01Å |
| 151 | D | 80.9 | Confident | 85.1 | Confident | 57 Ų | 57 | 59.5 Ų | 59.5 | 31% | 0.305 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 127.5 | 179.5 | -155 | 33.9 | 0 | 0 | 0 | 109.3 | N136 E137 C138 | N136-D151 WeakPolarHBondContact CA-OD1 3.47Å; N136-D151 WeakPolarHBondContact CA-OD2 3.46Å; E137-D151 PolarHBondContact N-OD1 2.65Å; C138-D151 PolarHBondContact SG-N 2.81Å; C138-D151 VanDerWaalsContact SG-N 3.44Å |
| 152 | E | 80.6 | Confident | 84.8 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 168.7 | 174.6 | -59.6 | -176.8 | -174.9 | 0 | 0 | 109 | N154 Q155 S157 | E152-N154 PolarHBondContact O-N 2.82Å; E152-N154 VanDerWaalsContact O-N 3.16Å; E152-Q155 CarbonylContact C-O 3.52Å; E152-Q155 WeakPolarHBondContact CA-O 3.39Å; E152-Q155 HydrophobicContact CB-CG 3.95Å; E152-Q155 VanDerWaalsContact CB-O 3.3Å; E152-Q155 WeakPolarHBondContact CB-O 3.13Å; E152-Q155 PolarHBondContact N-O 2.71Å; E152-Q155 VanDerWaalsContact N-O 3.09Å; E152-Q155 PolarHBondContact OE2-NE2 2.81Å; E152-S157 WeakPolarHBondContact OE1-CB 3.43Å; E152-S157 PolarHBondContact OE1-OG 2.83Å |
| 153 | V | 78.4 | Confident | 84.2 | Confident | 75 Ų | 75 | 63.9 Ų | 63.9 | 46% | 0.455 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 116.3 | -178 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | Y109 Q155 | Y109-V153 HydrophobicContact CD2-CG1 4.35Å; Y109-V153 HydrophobicContact CE2-CG1 3.47Å; Y109-V153 VanDerWaalsContact CE2-CG1 3.47Å; V153-Q155 PolarHBondContact O-N 2.81Å |
| 154 | N | 74.3 | Confident | 83.8 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 51% | 0.508 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | 11.2 | 176.5 | -166.4 | 65.3 | 0 | 0 | 0 | 114.6 | G108 E137 E152 | G108-N154 VanDerWaalsContact CA-CB 3.49Å; G108-N154 PolarHBondContact N-OD1 2.87Å; G108-N154 VanDerWaalsContact N-OD1 3.1Å; E137-N154 WeakPolarHBondContact OE2-CA 3.42Å; E137-N154 PolarHBondContact OE2-N 2.83Å; E152-N154 PolarHBondContact O-N 2.82Å; E152-N154 VanDerWaalsContact O-N 3.16Å |
| 155 | Q | 79.2 | Confident | 83.3 | Confident | 114 Ų | 114 | 65.1 Ų | 65.1 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 163.9 | -179.1 | 66.1 | -178.5 | 36.2 | 0 | 0 | 110 | E137 E152 V153 | E137-Q155 PolarHBondContact OE2-N 2.85Å; E137-Q155 VanDerWaalsContact OE2-N 3.09Å; E152-Q155 CarbonylContact C-O 3.52Å; E152-Q155 WeakPolarHBondContact CA-O 3.39Å; E152-Q155 HydrophobicContact CB-CG 3.95Å; E152-Q155 VanDerWaalsContact CB-O 3.3Å; E152-Q155 WeakPolarHBondContact CB-O 3.13Å; E152-Q155 PolarHBondContact N-O 2.71Å; E152-Q155 VanDerWaalsContact N-O 3.09Å; E152-Q155 PolarHBondContact OE2-NE2 2.81Å; V153-Q155 PolarHBondContact O-N 2.81Å |
| 156 | F | 84.2 | Confident | 82.7 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 25% | 0.246 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 156.2 | 173.1 | 66.7 | -85.3 | 0 | 0 | 0 | 110.2 | E137 P142 V150 T168 | E137-F156 HydrophobicContact CB-CB 3.93Å; E137-F156 HydrophobicContact CB-CD1 4.18Å; E137-F156 HydrophobicContact CB-CG 4.5Å; P142-F156 HydrophobicContact CB-CD1 4.43Å; P142-F156 HydrophobicContact CB-CD2 4.06Å; P142-F156 HydrophobicContact CB-CE1 3.93Å; P142-F156 HydrophobicContact CB-CE2 3.53Å; P142-F156 HydrophobicContact CB-CG 4.49Å; P142-F156 HydrophobicContact CB-CZ 3.46Å; P142-F156 VanDerWaalsContact CB-CZ 3.46Å; P142-F156 HydrophobicContact CG-CD1 4.03Å; P142-F156 HydrophobicContact CG-CD2 3.45Å; P142-F156 VanDerWaalsContact CG-CD2 3.45Å; P142-F156 HydrophobicContact CG-CE1 4.04Å; P142-F156 HydrophobicContact CG-CE2 3.49Å; P142-F156 VanDerWaalsContact CG-CE2 3.49Å; P142-F156 HydrophobicContact CG-CG 3.76Å; P142-F156 HydrophobicContact CG-CZ 3.79Å; V150-F156 WeakPolarHBondContact O-CA 3.36Å; F156-T168 HydrophobicContact CE2-CG2 4Å; F156-T168 HydrophobicContact CZ-CG2 3.9Å |
| 157 | S | 86.3 | Confident | 82.5 | Confident | 40 Ų | 40 | 68 Ų | 68 | 28% | 0.28 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.7 | 170.6 | 62.5 | 0 | 0 | 0 | 0 | 111.4 | V150 E152 | V150-S157 PolarHBondContact N-O 2.92Å; V150-S157 PolarHBondContact O-N 2.94Å; E152-S157 WeakPolarHBondContact OE1-CB 3.43Å; E152-S157 PolarHBondContact OE1-OG 2.83Å |
| 158 | C | 88.4 | Confident | 82.6 | Confident | 23 Ų | 23 | 69 Ų | 69 | 16% | 0.155 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.1 | 178.7 | -67.8 | 0 | 0 | 0 | 0 | 111.2 | C143 E167 | C143-C158 WeakPolarHBondContact CA-SG 3.4Å; C143-C158 HydrophobicContact CB-CB 3.84Å; C143-C158 WeakPolarHBondContact CB-SG 3.44Å; C143-C158 WeakPolarHBondContact SG-CA 3.49Å; C143-C158 WeakPolarHBondContact SG-CB 3.45Å; C143-C158 CovalentContact SG-SG 2.02Å; C143-C158 PolarHBondContact SG-SG 2.83Å; C158-E167 WeakPolarHBondContact CB-O 3.29Å; C158-E167 PolarHBondContact SG-O 3.04Å |
| 159 | V | 86.5 | Confident | 82.6 | Confident | 88 Ų | 88 | 64.6 Ų | 64.6 | 53% | 0.533 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 103.8 | 167.5 | -177.7 | 0 | 0 | 0 | 0 | 108 | G147 T148 V150 | G147-V159 CarbonylContact C-O 3.58Å; G147-V159 VanDerWaalsContact CA-O 3.3Å; G147-V159 WeakPolarHBondContact CA-O 3.3Å; T148-V159 PolarHBondContact N-O 2.81Å; T148-V159 PolarHBondContact O-N 2.88Å; V150-V159 HydrophobicContact CG2-CG2 4.01Å |
| 160 | C | 83.4 | Confident | 82.6 | Confident | 40 Ų | 40 | 67 Ų | 67 | 27% | 0.27 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 141.8 | -173.6 | -57.1 | 0 | 0 | 0 | 0 | 113.4 | W164 C169 | C160-W164 HydrophobicContact CB-CB 4.24Å; C160-W164 WeakPolarHBondContact CB-O 3.25Å; C160-C169 WeakPolarHBondContact CA-SG 3.11Å; C160-C169 HydrophobicContact CB-CB 3.77Å; C160-C169 WeakPolarHBondContact CB-SG 3.43Å; C160-C169 WeakPolarHBondContact SG-CA 3.4Å; C160-C169 WeakPolarHBondContact SG-CB 3.49Å; C160-C169 CovalentContact SG-SG 2.04Å; C160-C169 PolarHBondContact SG-SG 3.44Å |
| 161 | A | 81.4 | Confident | 82.3 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 31% | 0.306 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 154.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G163 W164 | A161-G163 PolarHBondContact O-N 3.16Å; A161-W164 PolarHBondContact O-N 2.71Å |
| 162 | K | 80 | Confident | 82 | Confident | 175 Ų | 175 | 68.5 Ų | 68.5 | 76% | 0.761 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 127.3 | -178.6 | -174.9 | 177.9 | -179.3 | 178.3 | 0 | 110.7 | ||
| 163 | G | 75.3 | Confident | 81.7 | Confident | 34 Ų | 34 | 68 Ų | 68 | 35% | 0.351 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | 8.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A161 P172 V173 | A161-G163 PolarHBondContact O-N 3.16Å; G163-P172 CarbonylContact O-C 3.47Å; G163-P172 VanDerWaalsContact O-CA 3.28Å; G163-P172 WeakPolarHBondContact O-CA 3.5Å; G163-V173 PolarHBondContact O-N 2.71Å |
| 164 | W | 82.1 | Confident | 80.5 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 33% | 0.33 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.8 | 175.1 | -63.3 | 93.1 | 0 | 0 | 0 | 112.2 | N145 C160 A161 C169 S171 P172 V173 | N145-W164 HydrophobicContact CB-CD2 3.46Å; N145-W164 VanDerWaalsContact CB-CD2 3.46Å; N145-W164 HydrophobicContact CB-CE3 3.81Å; N145-W164 HydrophobicContact CB-CG 3.77Å; N145-W164 HydrophobicContact CB-CH2 4.35Å; N145-W164 HydrophobicContact CB-CZ2 4.04Å; N145-W164 HydrophobicContact CB-CZ3 4.25Å; N145-W164 WeakPolarHBondContact ND2-CZ3 3.46Å; C160-W164 HydrophobicContact CB-CB 4.24Å; C160-W164 WeakPolarHBondContact CB-O 3.25Å; A161-W164 PolarHBondContact O-N 2.71Å; W164-C169 HydrophobicContact CB-CB 4.32Å; W164-S171 CarbonylContact C-O 3.59Å; W164-S171 WeakPolarHBondContact CA-O 3.41Å; W164-S171 VanDerWaalsContact CE3-C 3.44Å; W164-P172 HydrophobicContact CE3-CB 4.26Å; W164-P172 HydrophobicContact CH2-CB 4.47Å; W164-P172 HydrophobicContact CZ3-CB 4.13Å; W164-P172 HydrophobicContact CZ3-CG 4.43Å; W164-V173 VanDerWaalsContact C-CG2 3.44Å; W164-V173 WeakPolarHBondContact O-CG2 3.44Å |
| 165 | A | 78.8 | Confident | 79.3 | Confident | 41 Ų | 41 | 71.6 Ų | 71.6 | 34% | 0.339 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 170.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | C169 Q170 S171 V173 | A165-C169 CarbonylContact O-C 3.25Å; A165-Q170 PolarHBondContact O-N 3.38Å; A165-S171 PolarHBondContact N-O 2.92Å; A165-S171 WeakPolarHBondContact O-CB 3.44Å; A165-S171 PolarHBondContact O-N 3.11Å; A165-S171 VanDerWaalsContact O-O 3.07Å; A165-V173 HydrophobicContact CB-CG2 3.58Å |
| 166 | G | 77.8 | Confident | 77.7 | Confident | 40 Ų | 40 | 74.9 Ų | 74.9 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | S | Bend | trans | 105 | 165.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T168 C169 Q170 | G166-T168 PolarHBondContact O-N 3.09Å; G166-C169 PolarHBondContact O-N 3.1Å; G166-C169 VanDerWaalsContact O-N 3.11Å; G166-Q170 VanDerWaalsContact C-OE1 3.28Å |
| 167 | E | 81 | Confident | 75.4 | Confident | 158 Ų | 158 | 79 Ų | 79 | 74% | 0.738 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -33 | -175.7 | -167.3 | -179.7 | -177.4 | 0 | 0 | 113.2 | C158 | C158-E167 WeakPolarHBondContact CB-O 3.29Å; C158-E167 PolarHBondContact SG-O 3.04Å |
| 168 | T | 88.9 | Confident | 73.2 | Confident | 35 Ų | 35 | 82.4 Ų | 82.4 | 22% | 0.215 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 19.3 | 176.6 | 56.5 | 0 | 0 | 0 | 0 | 112.7 | P142 L144 F156 G166 Q170 | P142-T168 WeakPolarHBondContact O-CB 3.38Å; L144-T168 WeakPolarHBondContact CB-O 3.47Å; L144-T168 PolarHBondContact N-O 3.3Å; F156-T168 HydrophobicContact CE2-CG2 4Å; F156-T168 HydrophobicContact CZ-CG2 3.9Å; G166-T168 PolarHBondContact O-N 3.09Å; T168-Q170 PolarHBondContact O-N 3.16Å; T168-Q170 PolarHBondContact OG1-OE1 2.92Å |
| 169 | C | 88.6 | Confident | 71 | Confident | 0 Ų | 0 | 87.7 Ų | 87.7 | 0% | 0 | 49% | 0.492 | C | S | . | . | S | Bend | trans | 59.2 | 30 | -174.6 | -48.2 | 0 | 0 | 0 | 0 | 113.9 | L144 N145 C160 W164 A165 G166 S171 | L144-C169 WeakPolarHBondContact O-CB 3.36Å; N145-C169 PolarHBondContact ND2-O 3.18Å; C160-C169 WeakPolarHBondContact CA-SG 3.11Å; C160-C169 HydrophobicContact CB-CB 3.77Å; C160-C169 WeakPolarHBondContact CB-SG 3.43Å; C160-C169 WeakPolarHBondContact SG-CA 3.4Å; C160-C169 WeakPolarHBondContact SG-CB 3.49Å; C160-C169 CovalentContact SG-SG 2.04Å; C160-C169 PolarHBondContact SG-SG 3.44Å; W164-C169 HydrophobicContact CB-CB 4.32Å; A165-C169 CarbonylContact O-C 3.25Å; G166-C169 PolarHBondContact O-N 3.1Å; G166-C169 VanDerWaalsContact O-N 3.11Å; C169-S171 VanDerWaalsContact C-N 3.31Å; C169-S171 PolarHBondContact O-N 2.67Å |
| 170 | Q | 89.8 | Confident | 68.7 | Low | 88 Ų | 88 | 89.1 Ų | 89.1 | 41% | 0.411 | 50% | 0.502 | S | S | . | . | trans | -74.5 | -17.3 | -175 | 71.1 | -84.2 | 28 | 0 | 0 | 114.1 | L144 A165 G166 T168 | L144-Q170 HydrophobicContact CD1-CB 4.15Å; A165-Q170 PolarHBondContact O-N 3.38Å; G166-Q170 VanDerWaalsContact C-OE1 3.28Å; T168-Q170 PolarHBondContact O-N 3.16Å; T168-Q170 PolarHBondContact OG1-OE1 2.92Å | ||
| 171 | S | 81.6 | Confident | 66.6 | Low | 57 Ų | 57 | 93.4 Ų | 93.4 | 40% | 0.399 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.7 | -171.9 | -60 | 0 | 0 | 0 | 0 | 111.8 | W164 A165 C169 | W164-S171 CarbonylContact C-O 3.59Å; W164-S171 WeakPolarHBondContact CA-O 3.41Å; W164-S171 VanDerWaalsContact CE3-C 3.44Å; A165-S171 PolarHBondContact N-O 2.92Å; A165-S171 WeakPolarHBondContact O-CB 3.44Å; A165-S171 PolarHBondContact O-N 3.11Å; A165-S171 VanDerWaalsContact O-O 3.07Å; C169-S171 VanDerWaalsContact C-N 3.31Å; C169-S171 PolarHBondContact O-N 2.67Å |
| 172 | P | 76.4 | Confident | 64.7 | Low | 90 Ų | 90 | 99.5 Ų | 99.5 | 58% | 0.584 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.3 | 139.4 | 172.1 | 28.4 | -32.4 | 0 | 0 | 0 | 110.2 | G163 W164 | G163-P172 CarbonylContact O-C 3.47Å; G163-P172 VanDerWaalsContact O-CA 3.28Å; G163-P172 WeakPolarHBondContact O-CA 3.5Å; W164-P172 HydrophobicContact CE3-CB 4.26Å; W164-P172 HydrophobicContact CH2-CB 4.47Å; W164-P172 HydrophobicContact CZ3-CB 4.13Å; W164-P172 HydrophobicContact CZ3-CG 4.43Å |
| 173 | V | 72.9 | Confident | 62.5 | Low | 54 Ų | 54 | 98.1 Ų | 98.1 | 33% | 0.327 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -72.9 | 124.5 | 172.2 | -179.2 | 0 | 0 | 0 | 0 | 107.7 | G163 W164 A165 T175 | G163-V173 PolarHBondContact O-N 2.71Å; W164-V173 VanDerWaalsContact C-CG2 3.44Å; W164-V173 WeakPolarHBondContact O-CG2 3.44Å; A165-V173 HydrophobicContact CB-CG2 3.58Å; V173-T175 PolarHBondContact O-N 3.26Å |
| 174 | P | 54.1 | Low | 61.3 | Low | 104 Ų | 104 | 102.1 Ų | 102.1 | 68% | 0.675 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 127.9 | 172.1 | -20.4 | 30.8 | 0 | 0 | 0 | 109.2 | F176 | P174-F176 PolarHBondContact O-N 2.82Š|
| 175 | T | 48.8 | Very low | 59.3 | Low | 142 Ų | 142 | 103 Ų | 103 | 87% | 0.871 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 17.9 | -166.5 | -18.4 | 0 | 0 | 0 | 0 | 115.9 | V173 | V173-T175 PolarHBondContact O-N 3.26Š|
| 176 | F | 44.8 | Very low | 57.3 | Low | 183 Ų | 183 | 104.7 Ų | 104.7 | 80% | 0.803 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 0.2 | -174.9 | -128.6 | -91.6 | 0 | 0 | 0 | 115.6 | P174 | P174-F176 PolarHBondContact O-N 2.82Š|
| 177 | F | 37.5 | Very low | 55.3 | Low | 144 Ų | 144 | 107.9 Ų | 107.9 | 63% | 0.632 | 65% | 0.647 | S | S | * | * | trans | -132.8 | 94.7 | 175.2 | -66.8 | -80.1 | 0 | 0 | 0 | 111 | ||||
| 178 | I | 39.2 | Very low | 53.3 | Low | 111 Ų | 111 | 106.6 Ų | 106.6 | 57% | 0.569 | 65% | 0.649 | S | S | * | * | trans | -86.7 | 98.6 | 154.1 | -60.8 | -178.6 | 0 | 0 | 0 | 106.3 | T180 | I178-T180 HydrophobicContact CG2-CG2 3.63Š| ||
| 179 | T | 41.7 | Very low | 50.8 | Low | 133 Ų | 133 | 113.3 Ų | 113.3 | 82% | 0.816 | 68% | 0.683 | S | S | * | * | trans | -75.6 | 109.5 | 147.7 | 37.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 180 | T | 39.4 | Very low | 48.8 | Very low | 118 Ų | 118 | 118.3 Ų | 118.3 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | trans | -100.3 | 114 | 160.3 | 32.5 | 0 | 0 | 0 | 0 | 108.7 | I178 | I178-T180 HydrophobicContact CG2-CG2 3.63Š| ||
| 181 | T | 38.7 | Very low | 46.1 | Very low | 131 Ų | 131 | 118.7 Ų | 118.7 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | -62.1 | 151.2 | 161.3 | 40.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 182 | N | 40.7 | Very low | 43.8 | Very low | 165 Ų | 165 | 120.7 Ų | 120.7 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | trans | -31.1 | 131 | 177.7 | -80.6 | -28.4 | 0 | 0 | 0 | 117 | ||||
| 183 | T | 33.8 | Very low | 42 | Very low | 145 Ų | 145 | 123.3 Ų | 123.3 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | -129.5 | 114.9 | 143 | 29.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 184 | S | 51.7 | Low | 40.5 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -79.8 | 118 | 163.2 | 49.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 185 | A | 39.4 | Very low | 39.9 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -168.2 | 127.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 186 | G | 36 | Very low | 39.4 | Very low | 76 Ų | 76 | 126.3 Ų | 126.3 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -89.2 | 167 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 187 | S | 35.9 | Very low | 39.5 | Very low | 108 Ų | 108 | 122.1 Ų | 122.1 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | -178.3 | 119.6 | 125.4 | 52.8 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 188 | T | 40.6 | Very low | 39.3 | Very low | 130 Ų | 130 | 121.9 Ų | 121.9 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | 34.7 | 109.2 | 143.9 | 59.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 189 | L | 35.5 | Very low | 39.4 | Very low | 177 Ų | 177 | 124 Ų | 124 | 93% | 0.927 | 82% | 0.821 | S | S | * | * | -171.1 | 143.2 | 115.9 | -92.3 | 158.8 | 0 | 0 | 0 | 108.9 | |||||
| 190 | A | 45.5 | Very low | 39.5 | Very low | 104 Ų | 104 | 120.1 Ų | 120.1 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -55.1 | 130.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 191 | A | 33.6 | Very low | 40.3 | Very low | 97 Ų | 97 | 118.3 Ų | 118.3 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -138 | 118.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | T193 | A191-T193 PolarHBondContact O-N 3.26Š| ||
| 192 | S | 34.4 | Very low | 41.1 | Very low | 99 Ų | 99 | 120 Ų | 120 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | -40.4 | 128.9 | 177.7 | 49.4 | 0 | 0 | 0 | 0 | 113.7 | L194 | S192-L194 PolarHBondContact O-N 2.9Š| ||
| 193 | T | 38.3 | Very low | 42.3 | Very low | 144 Ų | 144 | 114.6 Ų | 114.6 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -46.2 | 118.7 | 151.9 | 28.1 | 0 | 0 | 0 | 0 | 110.7 | A191 | A191-T193 PolarHBondContact O-N 3.26Š| ||
| 194 | L | 40 | Very low | 43.8 | Very low | 149 Ų | 149 | 118.1 Ų | 118.1 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -128.3 | 142.5 | 155.6 | -85.8 | 162.2 | 0 | 0 | 0 | 108.3 | S192 | S192-L194 PolarHBondContact O-N 2.9Š| ||
| 195 | P | 42 | Very low | 44.5 | Very low | 120 Ų | 120 | 113.9 Ų | 113.9 | 78% | 0.779 | 74% | 0.737 | S | S | * | * | trans | -76.5 | 160 | -157.1 | 30.8 | -35.3 | 0 | 0 | 0 | 113.6 | ||||
| 196 | A | 38.8 | Very low | 45.8 | Very low | 94 Ų | 94 | 112.1 Ų | 112.1 | 78% | 0.777 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -53.3 | 144.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 197 | A | 47.8 | Very low | 47.7 | Very low | 96 Ų | 96 | 117 Ų | 117 | 79% | 0.793 | 71% | 0.713 | S | S | * | * | trans | 48.9 | 82.2 | 145 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 198 | T | 33 | Very low | 49.6 | Very low | 139 Ų | 139 | 115 Ų | 115 | 85% | 0.853 | 70% | 0.698 | S | S | * | * | trans | -85.5 | 122 | 149.2 | 36.7 | 0 | 0 | 0 | 0 | 109.6 | G200 | T198-G200 VanDerWaalsContact C-N 3.33Å; T198-G200 PolarHBondContact O-N 2.89Å | ||
| 199 | T | 41.2 | Very low | 51.4 | Low | 155 Ų | 155 | 111.7 Ų | 111.7 | 95% | 0.951 | 68% | 0.677 | S | S | * | * | trans | -59 | 85.5 | 168.5 | 47.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 200 | G | 43.7 | Very low | 53.2 | Low | 51 Ų | 51 | 109.6 Ų | 109.6 | 53% | 0.526 | 67% | 0.666 | S | S | . | * | trans | -150.4 | 144.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T198 Y202 | T198-G200 VanDerWaalsContact C-N 3.33Å; T198-G200 PolarHBondContact O-N 2.89Å; G200-Y202 PolarHBondContact O-N 3.43Å | ||
| 201 | A | 55.6 | Low | 54.5 | Low | 80 Ų | 80 | 108.3 Ų | 108.3 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -68.2 | 14.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 202 | Y | 56.5 | Low | 56.1 | Low | 167 Ų | 167 | 113.1 Ų | 113.1 | 66% | 0.655 | 65% | 0.653 | S | S | * | * | trans | -132.4 | 113.2 | -170.9 | -61.8 | -69.3 | 0 | 0 | 0 | 109.5 | G200 S232 T234 | G200-Y202 PolarHBondContact O-N 3.43Å; Y202-S232 WeakPolarHBondContact CD1-OG 3.42Å; Y202-T234 HydrophobicContact CD1-CG2 4.07Å; Y202-T234 HydrophobicContact CE1-CG2 4Å | ||
| 203 | V | 64.6 | Low | 57.8 | Low | 51 Ų | 51 | 111.7 Ų | 111.7 | 31% | 0.309 | 65% | 0.654 | S | S | . | * | B | Isolated β-bridge | trans | -97.1 | 141.4 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | Y223 C233 | V203-Y223 HydrophobicContact CB-CD1 4.21Å; V203-Y223 HydrophobicContact CB-CE1 4.05Å; V203-Y223 HydrophobicContact CG2-CD1 4.07Å; V203-Y223 HydrophobicContact CG2-CE1 3.44Å; V203-Y223 VanDerWaalsContact CG2-CE1 3.44Å; V203-C233 HydrophobicContact CB-CB 4.31Å; V203-C233 PolarHBondContact N-O 2.91Å; V203-C233 VanDerWaalsContact O-CB 3.29Å; V203-C233 WeakPolarHBondContact O-CB 3.47Å; V203-C233 PolarHBondContact O-N 2.87Å |
| 204 | R | 64.9 | Low | 59.2 | Low | 220 Ų | 220 | 109.6 Ų | 109.6 | 83% | 0.83 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -73 | 145 | 177 | -77.6 | -172.6 | 176.1 | -165.2 | -0.5 | 110.6 | ||
| 205 | P | 66.6 | Low | 60.6 | Low | 30 Ų | 30 | 104.2 Ų | 104.2 | 20% | 0.195 | 62% | 0.615 | C | S | . | * | P | Polyproline II helix | trans | -62.5 | 141 | 176.7 | -16.5 | 27.7 | 0 | 0 | 0 | 111.7 | C217 Y231 C233 | P205-C217 HydrophobicContact CB-CB 3.67Å; P205-C217 HydrophobicContact CG-CB 3.96Å; P205-Y231 WeakPolarHBondContact CD-O 3.3Å; P205-Y231 VanDerWaalsContact CG-O 3.27Å; P205-Y231 WeakPolarHBondContact CG-O 3.37Å; P205-C233 VanDerWaalsContact CA-SG 3.57Å |
| 206 | S | 67 | Low | 62 | Low | 67 Ų | 67 | 103.8 Ų | 103.8 | 47% | 0.469 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -74.6 | -27.1 | -177.7 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | T218 | S206-T218 PolarHBondContact N-O 3.36Å; S206-T218 PolarHBondContact OG-O 3.36Å; S206-T218 VanDerWaalsContact OG-O 3.05Å |
| 207 | R | 75.8 | Confident | 63.7 | Low | 180 Ų | 180 | 99.4 Ų | 99.4 | 68% | 0.679 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -155.3 | 135.1 | 177 | -170 | 174.5 | 176.4 | 178 | -1.3 | 111.8 | C217 T218 | R207-C217 CarbonylContact O-C 3.46Å; R207-C217 VanDerWaalsContact O-CA 3.23Å; R207-C217 WeakPolarHBondContact O-CA 3.35Å; R207-T218 PolarHBondContact N-O 2.95Å; R207-T218 PolarHBondContact O-N 3.01Å; R207-T218 PolarHBondContact O-OG1 2.88Å |
| 208 | C | 76.9 | Confident | 65.1 | Low | 64 Ų | 64 | 97.8 Ų | 97.8 | 43% | 0.432 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135 | 174.6 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | T215 H216 C217 | C208-T215 HydrophobicContact CB-CG2 4.16Å; C208-H216 CarbonylContact C-O 3.57Å; C208-H216 WeakPolarHBondContact CA-O 3.24Å; C208-C217 HydrophobicContact CB-CB 4.06Å; C208-C217 WeakPolarHBondContact CB-SG 3.46Å; C208-C217 WeakPolarHBondContact SG-CB 3.48Å; C208-C217 CovalentContact SG-SG 2.03Å; C208-C217 PolarHBondContact SG-SG 3.29Å |
| 209 | T | 78.3 | Confident | 67.3 | Low | 61 Ų | 61 | 92.3 Ų | 92.3 | 37% | 0.374 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140.2 | 176.2 | 54.5 | 0 | 0 | 0 | 0 | 110.5 | H216 | T209-H216 PolarHBondContact N-O 3.44Å; T209-H216 PolarHBondContact O-N 3.33Å |
| 210 | I | 72.9 | Confident | 69.1 | Low | 133 Ų | 133 | 89.9 Ų | 89.9 | 68% | 0.682 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 118.8 | 176.8 | -57.3 | 170.7 | 0 | 0 | 0 | 107.9 | ||
| 211 | V | 73.2 | Confident | 70.7 | Confident | 77 Ų | 77 | 92.9 Ų | 92.9 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 118.8 | 177.3 | -174.5 | 0 | 0 | 0 | 0 | 107.1 | G213 T214 | V211-G213 PolarHBondContact O-N 2.91Å; V211-G213 VanDerWaalsContact O-N 3.11Å; V211-T214 PolarHBondContact N-O 3.5Å; V211-T214 PolarHBondContact O-N 3.17Å; V211-T214 PolarHBondContact O-OG1 3.11Å |
| 212 | Q | 67.6 | Low | 71.5 | Confident | 198 Ų | 198 | 89.7 Ų | 89.7 | 93% | 0.925 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 32.7 | 177.6 | -59.6 | -179.7 | -12.9 | 0 | 0 | 115.4 | T214 | Q212-T214 VanDerWaalsContact C-N 3.34Š|
| 213 | G | 69 | Low | 72.8 | Confident | 70 Ų | 70 | 83.4 Ų | 83.4 | 72% | 0.722 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -1.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | V211 | V211-G213 PolarHBondContact O-N 2.91Å; V211-G213 VanDerWaalsContact O-N 3.11Å |
| 214 | T | 66.9 | Low | 73.6 | Confident | 100 Ų | 100 | 84.5 Ų | 84.5 | 61% | 0.613 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.7 | 170.7 | 44.7 | 0 | 0 | 0 | 0 | 111 | V211 Q212 | V211-T214 PolarHBondContact N-O 3.5Å; V211-T214 PolarHBondContact O-N 3.17Å; V211-T214 PolarHBondContact O-OG1 3.11Å; Q212-T214 VanDerWaalsContact C-N 3.34Å |
| 215 | T | 69.7 | Low | 74.3 | Confident | 36 Ų | 36 | 77.1 Ų | 77.1 | 22% | 0.221 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 114.6 | 179.1 | -49.3 | 0 | 0 | 0 | 0 | 109.9 | C208 S230 Y231 | C208-T215 HydrophobicContact CB-CG2 4.16Å; T215-S230 WeakPolarHBondContact O-CB 3.38Å; T215-Y231 VanDerWaalsContact CB-OH 3.26Å; T215-Y231 WeakPolarHBondContact CB-OH 3.33Å; T215-Y231 HydrophobicContact CG2-CE1 3.61Å; T215-Y231 PolarHBondContact OG1-OH 3.26Å |
| 216 | H | 71.6 | Confident | 74.4 | Confident | 110 Ų | 110 | 77.1 Ų | 77.1 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 111.7 | 175.2 | -174.5 | -79.2 | 0 | 0 | 0 | 109.6 | C208 T209 | C208-H216 CarbonylContact C-O 3.57Å; C208-H216 WeakPolarHBondContact CA-O 3.24Å; T209-H216 PolarHBondContact N-O 3.44Å; T209-H216 PolarHBondContact O-N 3.33Å |
| 217 | C | 75.9 | Confident | 74.2 | Confident | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.014 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 150 | 173.3 | -58.9 | 0 | 0 | 0 | 0 | 111.6 | P205 R207 C208 I225 S230 | P205-C217 HydrophobicContact CB-CB 3.67Å; P205-C217 HydrophobicContact CG-CB 3.96Å; R207-C217 CarbonylContact O-C 3.46Å; R207-C217 VanDerWaalsContact O-CA 3.23Å; R207-C217 WeakPolarHBondContact O-CA 3.35Å; C208-C217 HydrophobicContact CB-CB 4.06Å; C208-C217 WeakPolarHBondContact CB-SG 3.46Å; C208-C217 WeakPolarHBondContact SG-CB 3.48Å; C208-C217 CovalentContact SG-SG 2.03Å; C208-C217 PolarHBondContact SG-SG 3.29Å; C217-I225 WeakPolarHBondContact O-CD1 3.31Å; C217-S230 WeakPolarHBondContact CB-O 3.43Å; C217-S230 PolarHBondContact SG-O 2.75Å |
| 218 | T | 76.7 | Confident | 73.4 | Confident | 62 Ų | 62 | 80.2 Ų | 80.2 | 38% | 0.38 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 142.7 | 171.6 | 57.2 | 0 | 0 | 0 | 0 | 109.3 | S206 R207 | S206-T218 PolarHBondContact N-O 3.36Å; S206-T218 PolarHBondContact OG-O 3.36Å; S206-T218 VanDerWaalsContact OG-O 3.05Å; R207-T218 PolarHBondContact N-O 2.95Å; R207-T218 PolarHBondContact O-N 3.01Å; R207-T218 PolarHBondContact O-OG1 2.88Å |
| 219 | C | 79.8 | Confident | 72.6 | Confident | 24 Ų | 24 | 82.9 Ų | 82.9 | 16% | 0.162 | 47% | 0.47 | C | S | . | . | P | Polyproline II helix | trans | -93.6 | 165.3 | 174.9 | -60 | 0 | 0 | 0 | 0 | 111.1 | C233 | C219-C233 VanDerWaalsContact CA-SG 3.5Å; C219-C233 HydrophobicContact CB-CB 3.77Å; C219-C233 WeakPolarHBondContact CB-SG 3.14Å; C219-C233 WeakPolarHBondContact SG-CB 3.35Å; C219-C233 CovalentContact SG-SG 2.03Å; C219-C233 PolarHBondContact SG-SG 3.08Å |
| 220 | E | 78.9 | Confident | 72 | Confident | 104 Ų | 104 | 82 Ų | 82 | 49% | 0.486 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 156.9 | 168.9 | -64.5 | -170.2 | 156.6 | 0 | 0 | 111.1 | G222 Y223 | E220-G222 PolarHBondContact O-N 2.92Å; E220-Y223 HydrophobicContact CB-CD2 4.04Å; E220-Y223 HydrophobicContact CB-CE2 4.48Å; E220-Y223 WeakPolarHBondContact O-CB 3.36Å; E220-Y223 PolarHBondContact O-N 2.79Å; E220-Y223 VanDerWaalsContact O-N 3.09Å |
| 221 | P | 76.1 | Confident | 71.9 | Confident | 115 Ų | 115 | 82.2 Ų | 82.2 | 75% | 0.747 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 137 | 173.1 | -24.5 | 34.5 | 0 | 0 | 0 | 111.3 | ||
| 222 | G | 72.9 | Confident | 72.1 | Confident | 12 Ų | 12 | 80 Ų | 80 | 12% | 0.124 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 1.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E220 I236 | E220-G222 PolarHBondContact O-N 2.92Å; G222-I236 WeakPolarHBondContact O-CB 3.45Å; G222-I236 WeakPolarHBondContact O-CG1 3.44Å; G222-I236 PolarHBondContact O-N 2.81Å |
| 223 | Y | 82.6 | Confident | 72.8 | Confident | 35 Ų | 35 | 70.7 Ų | 70.7 | 14% | 0.137 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 150.5 | 177.2 | -63.5 | -96 | 0 | 0 | 0 | 112.1 | V203 E220 T234 D235 P259 G260 | V203-Y223 HydrophobicContact CB-CD1 4.21Å; V203-Y223 HydrophobicContact CB-CE1 4.05Å; V203-Y223 HydrophobicContact CG2-CD1 4.07Å; V203-Y223 HydrophobicContact CG2-CE1 3.44Å; V203-Y223 VanDerWaalsContact CG2-CE1 3.44Å; E220-Y223 HydrophobicContact CB-CD2 4.04Å; E220-Y223 HydrophobicContact CB-CE2 4.48Å; E220-Y223 WeakPolarHBondContact O-CB 3.36Å; E220-Y223 PolarHBondContact O-N 2.79Å; E220-Y223 VanDerWaalsContact O-N 3.09Å; Y223-T234 CarbonylContact C-O 3.57Å; Y223-T234 WeakPolarHBondContact CA-O 3.45Å; Y223-D235 VanDerWaalsContact CD1-CA 3.48Å; Y223-D235 HydrophobicContact CD1-CB 4.11Å; Y223-D235 HydrophobicContact CE1-CB 3.92Å; Y223-P259 WeakPolarHBondContact OH-CA 3.37Å; Y223-P259 VanDerWaalsContact OH-CB 3.23Å; Y223-P259 WeakPolarHBondContact OH-CB 3.23Å; Y223-G260 VanDerWaalsContact CZ-N 3.35Å; Y223-G260 PolarHBondContact OH-N 2.89Å; Y223-G260 VanDerWaalsContact OH-N 3.15Å |
| 224 | T | 81.3 | Confident | 73.5 | Confident | 74 Ų | 74 | 69.1 Ų | 69.1 | 45% | 0.454 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 155.6 | 176.9 | -170.5 | 0 | 0 | 0 | 0 | 111.5 | S226 C233 T234 I236 | T224-S226 PolarHBondContact O-N 2.78Å; T224-C233 CarbonylContact O-C 3.56Å; T224-C233 WeakPolarHBondContact O-CA 3.46Å; T224-T234 PolarHBondContact N-O 2.91Å; T224-T234 PolarHBondContact O-N 2.81Å; T224-T234 PolarHBondContact O-OG1 2.77Å; T224-I236 HydrophobicContact CG2-CG1 4.01Å |
| 225 | I | 80.8 | Confident | 74.3 | Confident | 65 Ų | 65 | 66.6 Ų | 66.6 | 33% | 0.333 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 125.9 | -179.9 | -58.5 | 169.1 | 0 | 0 | 0 | 109.1 | C217 S232 | C217-I225 WeakPolarHBondContact O-CD1 3.31Å; I225-S232 WeakPolarHBondContact CA-O 3.4Å |
| 226 | S | 67.8 | Low | 74.9 | Confident | 31 Ų | 31 | 67.1 Ų | 67.1 | 22% | 0.217 | 36% | 0.364 | C | S | . | . | trans | -93.1 | 121.3 | -179.3 | -16.6 | 0 | 0 | 0 | 0 | 110.7 | T224 S232 T234 | T224-S226 PolarHBondContact O-N 2.78Å; S226-S232 PolarHBondContact N-O 2.72Å; S226-S232 PolarHBondContact OG-O 3.4Å; S226-T234 WeakPolarHBondContact CB-OG1 3.36Å; S226-T234 VanDerWaalsContact OG-CB 3.23Å; S226-T234 WeakPolarHBondContact OG-CB 3.25Å; S226-T234 WeakPolarHBondContact OG-CG2 3.08Å; S226-T234 PolarHBondContact OG-N 3.25Å; S226-T234 PolarHBondContact OG-OG1 2.92Å | ||
| 227 | G | 64.4 | Low | 75.5 | Confident | 73 Ų | 73 | 64 Ų | 64 | 75% | 0.753 | 35% | 0.351 | S | S | * | . | S | Bend | trans | 79.8 | -171.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | D229 | G227-D229 VanDerWaalsContact C-N 3.28Š|
| 228 | R | 58.7 | Low | 76.1 | Confident | 239 Ų | 239 | 64.5 Ų | 64.5 | 90% | 0.902 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -75.1 | -20.3 | -176.3 | -160.8 | -177 | -68.3 | -141 | 1.2 | 112.5 | ||
| 229 | D | 60 | Low | 76.5 | Confident | 120 Ų | 120 | 62 Ų | 62 | 64% | 0.642 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -96.1 | 108.2 | -178.6 | -57.4 | -38.2 | 0 | 0 | 0 | 108.7 | G227 Y231 | G227-D229 VanDerWaalsContact C-N 3.28Å; D229-Y231 HydrophobicContact CB-CD2 4.4Å; D229-Y231 PolarHBondContact O-N 2.86Å |
| 230 | S | 65.6 | Low | 76.9 | Confident | 43 Ų | 43 | 67.3 Ų | 67.3 | 30% | 0.301 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 27.3 | -169.8 | -48.7 | 0 | 0 | 0 | 0 | 115.5 | T215 C217 | T215-S230 WeakPolarHBondContact O-CB 3.38Å; C217-S230 WeakPolarHBondContact CB-O 3.43Å; C217-S230 PolarHBondContact SG-O 2.75Å |
| 231 | Y | 69.6 | Low | 76.9 | Confident | 137 Ų | 137 | 66.8 Ų | 66.8 | 54% | 0.537 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | 0.4 | -168.1 | -57.7 | -77.1 | 0 | 0 | 0 | 114.8 | P205 T215 D229 | P205-Y231 WeakPolarHBondContact CD-O 3.3Å; P205-Y231 VanDerWaalsContact CG-O 3.27Å; P205-Y231 WeakPolarHBondContact CG-O 3.37Å; T215-Y231 VanDerWaalsContact CB-OH 3.26Å; T215-Y231 WeakPolarHBondContact CB-OH 3.33Å; T215-Y231 HydrophobicContact CG2-CE1 3.61Å; T215-Y231 PolarHBondContact OG1-OH 3.26Å; D229-Y231 HydrophobicContact CB-CD2 4.4Å; D229-Y231 PolarHBondContact O-N 2.86Å |
| 232 | S | 78.9 | Confident | 77.2 | Confident | 31 Ų | 31 | 65.5 Ų | 65.5 | 22% | 0.217 | 34% | 0.343 | C | S | . | . | trans | -123.6 | 129.9 | -178.2 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | Y202 I225 S226 | Y202-S232 WeakPolarHBondContact CD1-OG 3.42Å; I225-S232 WeakPolarHBondContact CA-O 3.4Å; S226-S232 PolarHBondContact N-O 2.72Å; S226-S232 PolarHBondContact OG-O 3.4Å | ||
| 233 | C | 81.3 | Confident | 77.7 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.3 | 173 | -60.9 | 0 | 0 | 0 | 0 | 109.7 | V203 P205 C219 T224 | V203-C233 HydrophobicContact CB-CB 4.31Å; V203-C233 PolarHBondContact N-O 2.91Å; V203-C233 VanDerWaalsContact O-CB 3.29Å; V203-C233 WeakPolarHBondContact O-CB 3.47Å; V203-C233 PolarHBondContact O-N 2.87Å; P205-C233 VanDerWaalsContact CA-SG 3.57Å; C219-C233 VanDerWaalsContact CA-SG 3.5Å; C219-C233 HydrophobicContact CB-CB 3.77Å; C219-C233 WeakPolarHBondContact CB-SG 3.14Å; C219-C233 WeakPolarHBondContact SG-CB 3.35Å; C219-C233 CovalentContact SG-SG 2.03Å; C219-C233 PolarHBondContact SG-SG 3.08Å; T224-C233 CarbonylContact O-C 3.56Å; T224-C233 WeakPolarHBondContact O-CA 3.46Å |
| 234 | T | 83.4 | Confident | 77.8 | Confident | 38 Ų | 38 | 70.2 Ų | 70.2 | 23% | 0.233 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 142.7 | 169.7 | 38.4 | 0 | 0 | 0 | 0 | 109.4 | Y202 Y223 T224 S226 | Y202-T234 HydrophobicContact CD1-CG2 4.07Å; Y202-T234 HydrophobicContact CE1-CG2 4Å; Y223-T234 CarbonylContact C-O 3.57Å; Y223-T234 WeakPolarHBondContact CA-O 3.45Å; T224-T234 PolarHBondContact N-O 2.91Å; T224-T234 PolarHBondContact O-N 2.81Å; T224-T234 PolarHBondContact O-OG1 2.77Å; S226-T234 WeakPolarHBondContact CB-OG1 3.36Å; S226-T234 VanDerWaalsContact OG-CB 3.23Å; S226-T234 WeakPolarHBondContact OG-CB 3.25Å; S226-T234 WeakPolarHBondContact OG-CG2 3.08Å; S226-T234 PolarHBondContact OG-N 3.25Å; S226-T234 PolarHBondContact OG-OG1 2.92Å |
| 235 | D | 83.6 | Confident | 77.7 | Confident | 46 Ų | 46 | 67.7 Ų | 67.7 | 25% | 0.246 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 139.9 | 174 | -173.2 | 63.4 | 0 | 0 | 0 | 111.2 | Y223 D237 N257 P259 G260 | Y223-D235 VanDerWaalsContact CD1-CA 3.48Å; Y223-D235 HydrophobicContact CD1-CB 4.11Å; Y223-D235 HydrophobicContact CE1-CB 3.92Å; D235-D237 PolarHBondContact O-N 2.96Å; D235-N257 PolarHBondContact OD2-ND2 2.85Å; D235-N257 PolarHBondContact OD2-OD1 3.47Å; D235-P259 WeakPolarHBondContact OD1-CA 3.39Å; D235-G260 PolarHBondContact OD1-N 3.23Å |
| 236 | I | 83.1 | Confident | 77 | Confident | 48 Ų | 48 | 71.4 Ų | 71.4 | 25% | 0.246 | 39% | 0.385 | C | S | . | . | trans | -85.5 | 108.9 | 173.1 | -63.3 | 172.1 | 0 | 0 | 0 | 106.7 | G222 T224 E238 L241 | G222-I236 WeakPolarHBondContact O-CB 3.45Å; G222-I236 WeakPolarHBondContact O-CG1 3.44Å; G222-I236 PolarHBondContact O-N 2.81Å; T224-I236 HydrophobicContact CG2-CG1 4.01Å; I236-E238 HydrophobicContact CG2-CG 4.43Å; I236-E238 PolarHBondContact O-N 2.83Å; I236-E238 VanDerWaalsContact O-OE2 3.13Å; I236-L241 HydrophobicContact CG2-CD1 3.56Å | ||
| 237 | D | 84.6 | Confident | 76.6 | Confident | 43 Ų | 43 | 73.6 Ų | 73.6 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | trans | -73 | 94.1 | 175.6 | -163.7 | -45.4 | 0 | 0 | 0 | 110.6 | D235 C239 E240 L241 N257 | D235-D237 PolarHBondContact O-N 2.96Å; D237-C239 PolarHBondContact O-N 3.37Å; D237-C239 WeakPolarHBondContact OD1-CA 3.41Å; D237-C239 VanDerWaalsContact OD1-CB 3.25Å; D237-C239 WeakPolarHBondContact OD1-CB 3.37Å; D237-C239 PolarHBondContact OD1-N 2.7Å; D237-E240 HydrophobicContact CB-CB 4.19Å; D237-E240 HydrophobicContact CB-CG 4.25Å; D237-E240 PolarHBondContact O-N 2.96Å; D237-E240 PolarHBondContact OD1-N 3.09Å; D237-L241 WeakPolarHBondContact O-CG 3.49Å; D237-L241 PolarHBondContact O-N 2.99Å; D237-L241 VanDerWaalsContact O-N 3.11Å; D237-N257 VanDerWaalsContact CG-ND2 3.29Å; D237-N257 PolarHBondContact OD2-ND2 2.86Å | ||
| 238 | E | 87.2 | Confident | 76.7 | Confident | 13 Ų | 13 | 72 Ų | 72 | 6% | 0.061 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -67.7 | -22 | 179.1 | -60.7 | 95.1 | 169.4 | 0 | 0 | 112.5 | I236 F242 H243 L250 G261 Y262 | I236-E238 HydrophobicContact CG2-CG 4.43Å; I236-E238 PolarHBondContact O-N 2.83Å; I236-E238 VanDerWaalsContact O-OE2 3.13Å; E238-F242 HydrophobicContact CB-CD2 3.83Å; E238-F242 HydrophobicContact CB-CE2 4.41Å; E238-F242 HydrophobicContact CG-CD2 4.12Å; E238-F242 HydrophobicContact CG-CE2 4.22Å; E238-F242 WeakPolarHBondContact O-CA 3.41Å; E238-F242 WeakPolarHBondContact O-CB 3.32Å; E238-F242 PolarHBondContact O-N 2.03Å; E238-H243 PolarHBondContact O-N 3.42Å; E238-L250 HydrophobicContact CB-CD2 4.04Å; E238-G261 WeakPolarHBondContact OE1-CA 3.12Å; E238-G261 WeakPolarHBondContact OE2-CA 3.45Å; E238-Y262 HydrophobicContact CB-CD1 3.75Å; E238-Y262 HydrophobicContact CB-CE1 4.49Å; E238-Y262 HydrophobicContact CB-CG 4.22Å; E238-Y262 HydrophobicContact CG-CD1 4.02Å; E238-Y262 PolarHBondContact OE2-N 2.03Å |
| 239 | C | 86.5 | Confident | 77.7 | Confident | 10 Ų | 10 | 67 Ų | 67 | 7% | 0.068 | 37% | 0.373 | C | S | . | . | I | π-helix | trans | -71.5 | -42.8 | 176.6 | -60 | 0 | 0 | 0 | 0 | 110.9 | D237 H243 N244 C255 V256 N257 | D237-C239 PolarHBondContact O-N 3.37Å; D237-C239 WeakPolarHBondContact OD1-CA 3.41Å; D237-C239 VanDerWaalsContact OD1-CB 3.25Å; D237-C239 WeakPolarHBondContact OD1-CB 3.37Å; D237-C239 PolarHBondContact OD1-N 2.7Å; C239-H243 HydrophobicContact CB-CB 4.48Å; C239-H243 WeakPolarHBondContact O-CA 3.33Å; C239-H243 VanDerWaalsContact O-CB 3.25Å; C239-H243 WeakPolarHBondContact O-CB 3.46Å; C239-H243 PolarHBondContact O-N 3.36Å; C239-H243 VanDerWaalsContact O-N 3.14Å; C239-N244 PolarHBondContact O-N 3.07Å; C239-C255 WeakPolarHBondContact CA-SG 3.33Å; C239-C255 HydrophobicContact CB-CB 3.72Å; C239-C255 WeakPolarHBondContact CB-SG 3.26Å; C239-C255 WeakPolarHBondContact SG-CB 3.41Å; C239-C255 CovalentContact SG-SG 2.04Å; C239-C255 PolarHBondContact SG-SG 2.82Å; C239-V256 PolarHBondContact SG-N 3.48Å; C239-N257 PolarHBondContact SG-N 3.25Å |
| 240 | E | 87.3 | Confident | 78.8 | Confident | 135 Ų | 135 | 62.6 Ų | 62.6 | 63% | 0.631 | 35% | 0.349 | S | S | * | . | I | π-helix | trans | -66.6 | -43.6 | 174.2 | -70.1 | -167.2 | 162.5 | 0 | 0 | 111.9 | D237 G245 | D237-E240 HydrophobicContact CB-CB 4.19Å; D237-E240 HydrophobicContact CB-CG 4.25Å; D237-E240 PolarHBondContact O-N 2.96Å; D237-E240 PolarHBondContact OD1-N 3.09Å; E240-G245 PolarHBondContact O-N 3.4Å |
| 241 | L | 79.8 | Confident | 79.9 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 49% | 0.492 | 34% | 0.335 | S | S | . | . | I | π-helix | trans | -77.2 | -41.3 | -173.9 | -65 | 175.2 | 0 | 0 | 0 | 113.8 | I236 D237 | I236-L241 HydrophobicContact CG2-CD1 3.56Å; D237-L241 WeakPolarHBondContact O-CG 3.49Å; D237-L241 PolarHBondContact O-N 2.99Å; D237-L241 VanDerWaalsContact O-N 3.11Å |
| 242 | F | 81.5 | Confident | 80.8 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 38% | 0.382 | 32% | 0.323 | S | S | . | . | I | π-helix | trans | -121.3 | -10.5 | -168.3 | -52.6 | -72.6 | 0 | 0 | 0 | 114.9 | E238 A247 G248 L250 | E238-F242 HydrophobicContact CB-CD2 3.83Å; E238-F242 HydrophobicContact CB-CE2 4.41Å; E238-F242 HydrophobicContact CG-CD2 4.12Å; E238-F242 HydrophobicContact CG-CE2 4.22Å; E238-F242 WeakPolarHBondContact O-CA 3.41Å; E238-F242 WeakPolarHBondContact O-CB 3.32Å; E238-F242 PolarHBondContact O-N 2.03Å; F242-A247 HydrophobicContact CD1-CB 4.05Å; F242-G248 CarbonylContact C-O 3.57Å; F242-G248 CarbonylContact O-C 3.6Å; F242-L250 HydrophobicContact CB-CB 4.43Å; F242-L250 HydrophobicContact CB-CD1 4.38Å; F242-L250 HydrophobicContact CB-CD2 4.24Å; F242-L250 PolarHBondContact O-N 3.31Å |
| 243 | H | 83.1 | Confident | 81.4 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 11% | 0.111 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -103.5 | -43.8 | 174.7 | -173.9 | 66 | 0 | 0 | 0 | 112.9 | E238 C239 G248 L250 C251 H253 C255 | E238-H243 PolarHBondContact O-N 3.42Å; C239-H243 HydrophobicContact CB-CB 4.48Å; C239-H243 WeakPolarHBondContact O-CA 3.33Å; C239-H243 VanDerWaalsContact O-CB 3.25Å; C239-H243 WeakPolarHBondContact O-CB 3.46Å; C239-H243 PolarHBondContact O-N 3.36Å; C239-H243 VanDerWaalsContact O-N 3.14Å; H243-G248 CarbonylContact C-O 3.45Å; H243-L250 HydrophobicContact CB-CB 3.88Å; H243-L250 PolarHBondContact ND1-N 2.96Å; H243-C251 PolarHBondContact CE1-O 2.94Å; H243-C251 VanDerWaalsContact CE1-O 3.22Å; H243-C251 PolarHBondContact ND1-N 3.31Å; H243-H253 PolarHBondContact CE1-O 3.25Å; H243-H253 PolarHBondContact NE2-O 3.45Å; H243-C255 HydrophobicContact CB-CB 3.79Å; H243-C255 VanDerWaalsContact CD2-CB 3.43Å; H243-C255 WeakPolarHBondContact CD2-CB 3.47Å; H243-C255 VanDerWaalsContact CG-CB 3.5Å |
| 244 | N | 85.7 | Confident | 81.8 | Confident | 122 Ų | 122 | 63.8 Ų | 63.8 | 65% | 0.652 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -98.8 | -10.1 | 177.2 | -61.1 | -32.8 | 0 | 0 | 0 | 112.5 | C239 | C239-N244 PolarHBondContact O-N 3.07Š|
| 245 | G | 77.9 | Confident | 82.1 | Confident | 22 Ų | 22 | 62.7 Ų | 62.7 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -83.9 | 179.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E240 A247 | E240-G245 PolarHBondContact O-N 3.4Å; G245-A247 PolarHBondContact O-N 2.9Å |
| 246 | P | 67.5 | Low | 82.4 | Confident | 143 Ų | 143 | 62.3 Ų | 62.3 | 93% | 0.929 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -13.3 | -177.6 | 29.1 | -34.7 | 0 | 0 | 0 | 113.7 | G248 | P246-G248 PolarHBondContact O-N 3.1Š|
| 247 | A | 58.8 | Low | 82.4 | Confident | 76 Ų | 76 | 62.3 Ų | 62.3 | 63% | 0.628 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F242 G245 | F242-A247 HydrophobicContact CD1-CB 4.05Å; G245-A247 PolarHBondContact O-N 2.9Å |
| 248 | G | 66.4 | Low | 82.4 | Confident | 39 Ų | 39 | 61.9 Ų | 61.9 | 40% | 0.402 | 34% | 0.343 | S | S | . | . | trans | 116.4 | -158.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F242 H243 P246 | F242-G248 CarbonylContact C-O 3.57Å; F242-G248 CarbonylContact O-C 3.6Å; H243-G248 CarbonylContact C-O 3.45Å; P246-G248 PolarHBondContact O-N 3.1Å | ||
| 249 | K | 80.1 | Confident | 82 | Confident | 134 Ų | 134 | 66.6 Ų | 66.6 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | trans | -112.5 | 99.1 | -174.5 | -153.2 | -170.8 | -173.1 | -174 | 0 | 110.4 | C251 L252 | K249-C251 WeakPolarHBondContact CG-O 3.49Å; K249-C251 PolarHBondContact O-N 2.9Å; K249-L252 WeakPolarHBondContact CE-O 3.43Å; K249-L252 PolarHBondContact NZ-O 2.93Å | ||
| 250 | L | 83.9 | Confident | 81.5 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 15% | 0.147 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -59.1 | -45.7 | -176.7 | -169.4 | 61.5 | 0 | 0 | 0 | 114.6 | E238 F242 H243 Y262 | E238-L250 HydrophobicContact CB-CD2 4.04Å; F242-L250 HydrophobicContact CB-CB 4.43Å; F242-L250 HydrophobicContact CB-CD1 4.38Å; F242-L250 HydrophobicContact CB-CD2 4.24Å; F242-L250 PolarHBondContact O-N 3.31Å; H243-L250 HydrophobicContact CB-CB 3.88Å; H243-L250 PolarHBondContact ND1-N 2.96Å; L250-Y262 HydrophobicContact CD1-CE1 4.27Å; L250-Y262 HydrophobicContact CD1-CE2 4.19Å; L250-Y262 WeakPolarHBondContact CD1-OH 3.22Å; L250-Y262 HydrophobicContact CD2-CD1 3.75Å; L250-Y262 HydrophobicContact CD2-CD2 3.52Å; L250-Y262 HydrophobicContact CD2-CE1 3.6Å; L250-Y262 HydrophobicContact CD2-CE2 3.36Å; L250-Y262 HydrophobicContact CD2-CG 3.72Å; L250-Y262 VanDerWaalsContact CD2-CZ 3.4Å; L250-Y262 HydrophobicContact CG-CD2 4.11Å; L250-Y262 HydrophobicContact CG-CE1 4.19Å; L250-Y262 HydrophobicContact CG-CE2 3.48Å; L250-Y262 VanDerWaalsContact CG-CE2 3.48Å |
| 251 | C | 87.7 | Confident | 81.3 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.007 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -106.7 | 148.1 | 175.5 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | H243 K249 H253 C255 C264 | H243-C251 PolarHBondContact CE1-O 2.94Å; H243-C251 VanDerWaalsContact CE1-O 3.22Å; H243-C251 PolarHBondContact ND1-N 3.31Å; K249-C251 WeakPolarHBondContact CG-O 3.49Å; K249-C251 PolarHBondContact O-N 2.9Å; C251-H253 VanDerWaalsContact C-N 3.31Å; C251-H253 PolarHBondContact O-N 2.86Å; C251-C255 HydrophobicContact CB-CB 4.35Å; C251-C264 WeakPolarHBondContact CA-SG 3.47Å; C251-C264 HydrophobicContact CB-CB 3.6Å; C251-C264 WeakPolarHBondContact CB-SG 3.38Å; C251-C264 WeakPolarHBondContact SG-CA 3.04Å; C251-C264 WeakPolarHBondContact SG-CB 3.46Å; C251-C264 CovalentContact SG-SG 2.02Å; C251-C264 PolarHBondContact SG-SG 3.48Å |
| 252 | L | 89.4 | Confident | 81.6 | Confident | 55 Ų | 55 | 60.3 Ų | 60.3 | 29% | 0.288 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -60.8 | -41.9 | 175.6 | -176.6 | 67.5 | 0 | 0 | 0 | 111.9 | K249 R277 C279 F446 | K249-L252 WeakPolarHBondContact CE-O 3.43Å; K249-L252 PolarHBondContact NZ-O 2.93Å; L252-R277 WeakPolarHBondContact CB-O 3.44Å; L252-R277 PolarHBondContact N-O 3.5Å; L252-C279 HydrophobicContact CD2-CB 3.85Å; L252-C279 VanDerWaalsContact CD2-N 3.26Å; L252-F446 HydrophobicContact CD1-CB 3.97Å; L252-F446 HydrophobicContact CD1-CG 4.25Å; L252-F446 HydrophobicContact CD2-CB 3.95Å; L252-F446 HydrophobicContact CD2-CD1 4.46Å; L252-F446 HydrophobicContact CD2-CD2 3.59Å; L252-F446 HydrophobicContact CD2-CE2 4.2Å; L252-F446 HydrophobicContact CD2-CG 3.75Å; L252-F446 HydrophobicContact CG-CB 4.16Å; L252-F446 HydrophobicContact CG-CD1 4.18Å; L252-F446 HydrophobicContact CG-CD2 4.18Å; L252-F446 HydrophobicContact CG-CG 3.92Å |
| 253 | H | 89.9 | Confident | 81.8 | Confident | 61 Ų | 61 | 63 Ų | 63 | 28% | 0.282 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -112.9 | -92.2 | 178.1 | -173.5 | 66.7 | 0 | 0 | 0 | 113.6 | H243 C251 P267 Y444 F446 | H243-H253 PolarHBondContact CE1-O 3.25Å; H243-H253 PolarHBondContact NE2-O 3.45Å; C251-H253 VanDerWaalsContact C-N 3.31Å; C251-H253 PolarHBondContact O-N 2.86Å; H253-P267 HydrophobicContact CB-CG 4.41Å; H253-Y444 AromaticContact CE1-CE1 3.95Å; H253-F446 HydrophobicContact CB-CE1 4.37Å; H253-F446 HydrophobicContact CB-CZ 4.19Å |
| 254 | K | 90.4 | Very high | 82.2 | Confident | 120 Ų | 120 | 62.5 Ų | 62.5 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 126.2 | -172.4 | 176.3 | 178.7 | -177.5 | 178.9 | 0 | 110.9 | V256 C264 S265 | K254-V256 HydrophobicContact CG-CG2 4.37Å; K254-C264 WeakPolarHBondContact O-CA 3.27Å; K254-S265 WeakPolarHBondContact CB-OG 3.01Å; K254-S265 WeakPolarHBondContact CG-OG 3.41Å; K254-S265 PolarHBondContact N-O 2.91Å; K254-S265 VanDerWaalsContact N-O 3.13Å; K254-S265 PolarHBondContact O-N 3.31Å; K254-S265 PolarHBondContact O-OG 2.48Å |
| 255 | C | 90.8 | Very high | 82.5 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 11% | 0.108 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 137.2 | 169 | -170.7 | 0 | 0 | 0 | 0 | 110.7 | C239 H243 C251 | C239-C255 WeakPolarHBondContact CA-SG 3.33Å; C239-C255 HydrophobicContact CB-CB 3.72Å; C239-C255 WeakPolarHBondContact CB-SG 3.26Å; C239-C255 WeakPolarHBondContact SG-CB 3.41Å; C239-C255 CovalentContact SG-SG 2.04Å; C239-C255 PolarHBondContact SG-SG 2.82Å; H243-C255 HydrophobicContact CB-CB 3.79Å; H243-C255 VanDerWaalsContact CD2-CB 3.43Å; H243-C255 WeakPolarHBondContact CD2-CB 3.47Å; H243-C255 VanDerWaalsContact CG-CB 3.5Å; C251-C255 HydrophobicContact CB-CB 4.35Å |
| 256 | V | 88.5 | Confident | 83.3 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 114.5 | 173.7 | -178.5 | 0 | 0 | 0 | 0 | 108.2 | C239 K254 R263 | C239-V256 PolarHBondContact SG-N 3.48Å; K254-V256 HydrophobicContact CG-CG2 4.37Å; V256-R263 HydrophobicContact CB-CG 4.09Å; V256-R263 PolarHBondContact N-O 2.94Å; V256-R263 PolarHBondContact O-N 3.14Å |
| 257 | N | 84 | Confident | 84.6 | Confident | 48 Ų | 48 | 52.3 Ų | 52.3 | 26% | 0.257 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 141.9 | 176.9 | -171.1 | 29.9 | 0 | 0 | 0 | 110.3 | D235 D237 C239 G261 | D235-N257 PolarHBondContact OD2-ND2 2.85Å; D235-N257 PolarHBondContact OD2-OD1 3.47Å; D237-N257 VanDerWaalsContact CG-ND2 3.29Å; D237-N257 PolarHBondContact OD2-ND2 2.86Å; C239-N257 PolarHBondContact SG-N 3.25Å; N257-G261 PolarHBondContact OD1-O 3.36Å |
| 258 | T | 83.8 | Confident | 86.1 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 153.9 | 179.3 | 46.8 | 0 | 0 | 0 | 0 | 110.3 | G260 G261 Y262 R263 | T258-G260 PolarHBondContact O-N 3.29Å; T258-G261 CarbonylContact C-O 3.58Å; T258-G261 VanDerWaalsContact C-O 3.31Å; T258-G261 VanDerWaalsContact CA-O 3.32Å; T258-G261 WeakPolarHBondContact CA-O 3.42Å; T258-G261 WeakPolarHBondContact CB-O 3.41Å; T258-G261 PolarHBondContact N-O 3.27Å; T258-G261 CarbonylContact O-C 3.52Å; T258-G261 PolarHBondContact O-N 2.84Å; T258-G261 PolarHBondContact OG1-O 3.22Å; T258-Y262 WeakPolarHBondContact OG1-CA 3.46Å; T258-Y262 PolarHBondContact OG1-N 2.83Å; T258-R263 HydrophobicContact CG2-CG 4.38Å |
| 259 | P | 79.9 | Confident | 87.3 | Confident | 112 Ų | 112 | 52.2 Ų | 52.2 | 73% | 0.727 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 116.6 | 175.1 | -23.8 | 34.3 | 0 | 0 | 0 | 111.6 | Y223 D235 | Y223-P259 WeakPolarHBondContact OH-CA 3.37Å; Y223-P259 VanDerWaalsContact OH-CB 3.23Å; Y223-P259 WeakPolarHBondContact OH-CB 3.23Å; D235-P259 WeakPolarHBondContact OD1-CA 3.39Å |
| 260 | G | 74.8 | Confident | 88 | Confident | 29 Ų | 29 | 46.4 Ų | 46.4 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 12 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y223 D235 T258 | Y223-G260 VanDerWaalsContact CZ-N 3.35Å; Y223-G260 PolarHBondContact OH-N 2.89Å; Y223-G260 VanDerWaalsContact OH-N 3.15Å; D235-G260 PolarHBondContact OD1-N 3.23Å; T258-G260 PolarHBondContact O-N 3.29Å |
| 261 | G | 83.7 | Confident | 88.4 | Confident | 14 Ų | 14 | 49.9 Ų | 49.9 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.2 | -160.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | E238 N257 T258 | E238-G261 WeakPolarHBondContact OE1-CA 3.12Å; E238-G261 WeakPolarHBondContact OE2-CA 3.45Å; N257-G261 PolarHBondContact OD1-O 3.36Å; T258-G261 CarbonylContact C-O 3.58Å; T258-G261 VanDerWaalsContact C-O 3.31Å; T258-G261 VanDerWaalsContact CA-O 3.32Å; T258-G261 WeakPolarHBondContact CA-O 3.42Å; T258-G261 WeakPolarHBondContact CB-O 3.41Å; T258-G261 PolarHBondContact N-O 3.27Å; T258-G261 CarbonylContact O-C 3.52Å; T258-G261 PolarHBondContact O-N 2.84Å; T258-G261 PolarHBondContact OG1-O 3.22Å |
| 262 | Y | 86.6 | Confident | 88.6 | Confident | 64 Ų | 64 | 52.8 Ų | 52.8 | 25% | 0.251 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 163.7 | 176.7 | 70.6 | -77.6 | 0 | 0 | 0 | 111.3 | E238 L250 T258 R277 | E238-Y262 HydrophobicContact CB-CD1 3.75Å; E238-Y262 HydrophobicContact CB-CE1 4.49Å; E238-Y262 HydrophobicContact CB-CG 4.22Å; E238-Y262 HydrophobicContact CG-CD1 4.02Å; E238-Y262 PolarHBondContact OE2-N 2.03Å; L250-Y262 HydrophobicContact CD1-CE1 4.27Å; L250-Y262 HydrophobicContact CD1-CE2 4.19Å; L250-Y262 WeakPolarHBondContact CD1-OH 3.22Å; L250-Y262 HydrophobicContact CD2-CD1 3.75Å; L250-Y262 HydrophobicContact CD2-CD2 3.52Å; L250-Y262 HydrophobicContact CD2-CE1 3.6Å; L250-Y262 HydrophobicContact CD2-CE2 3.36Å; L250-Y262 HydrophobicContact CD2-CG 3.72Å; L250-Y262 VanDerWaalsContact CD2-CZ 3.4Å; L250-Y262 HydrophobicContact CG-CD2 4.11Å; L250-Y262 HydrophobicContact CG-CE1 4.19Å; L250-Y262 HydrophobicContact CG-CE2 3.48Å; L250-Y262 VanDerWaalsContact CG-CE2 3.48Å; T258-Y262 WeakPolarHBondContact OG1-CA 3.46Å; T258-Y262 PolarHBondContact OG1-N 2.83Å; Y262-R277 VanDerWaalsContact OH-CZ 3.32Å; Y262-R277 PolarHBondContact OH-NE 3.44Å; Y262-R277 VanDerWaalsContact OH-NE 3.14Å; Y262-R277 PolarHBondContact OH-NH2 2.95Å; Y262-R277 VanDerWaalsContact OH-NH2 3.13Å |
| 263 | R | 85.8 | Confident | 88.6 | Confident | 144 Ų | 144 | 52.1 Ų | 52.1 | 54% | 0.543 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 144.6 | 165.2 | 69.3 | -179.6 | -173.4 | -79.5 | 2.3 | 111.2 | V256 T258 | V256-R263 HydrophobicContact CB-CG 4.09Å; V256-R263 PolarHBondContact N-O 2.94Å; V256-R263 PolarHBondContact O-N 3.14Å; T258-R263 HydrophobicContact CG2-CG 4.38Å |
| 264 | C | 91.3 | Very high | 88.6 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 9% | 0.088 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 146.4 | 171 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | C251 K254 G276 | C251-C264 WeakPolarHBondContact CA-SG 3.47Å; C251-C264 HydrophobicContact CB-CB 3.6Å; C251-C264 WeakPolarHBondContact CB-SG 3.38Å; C251-C264 WeakPolarHBondContact SG-CA 3.04Å; C251-C264 WeakPolarHBondContact SG-CB 3.46Å; C251-C264 CovalentContact SG-SG 2.02Å; C251-C264 PolarHBondContact SG-SG 3.48Å; K254-C264 WeakPolarHBondContact O-CA 3.27Å; C264-G276 VanDerWaalsContact CB-O 3.23Å; C264-G276 WeakPolarHBondContact CB-O 3.4Å; C264-G276 PolarHBondContact SG-O 2.92Å; C264-G276 VanDerWaalsContact SG-O 3.34Å |
| 265 | S | 91.4 | Very high | 88.4 | Confident | 34 Ų | 34 | 59.9 Ų | 59.9 | 24% | 0.238 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 140.7 | 175.8 | 58 | 0 | 0 | 0 | 0 | 109.9 | K254 | K254-S265 WeakPolarHBondContact CB-OG 3.01Å; K254-S265 WeakPolarHBondContact CG-OG 3.41Å; K254-S265 PolarHBondContact N-O 2.91Å; K254-S265 VanDerWaalsContact N-O 3.13Å; K254-S265 PolarHBondContact O-N 3.31Å; K254-S265 PolarHBondContact O-OG 2.48Å |
| 266 | C | 94.4 | Very high | 88.2 | Confident | 27 Ų | 27 | 60.8 Ų | 60.8 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 157.6 | -179.2 | -64.7 | 0 | 0 | 0 | 0 | 111 | C279 | C266-C279 VanDerWaalsContact CA-SG 3.51Å; C266-C279 HydrophobicContact CB-CB 3.77Å; C266-C279 WeakPolarHBondContact CB-SG 3.05Å; C266-C279 WeakPolarHBondContact SG-CA 3.38Å; C266-C279 WeakPolarHBondContact SG-CB 3.36Å; C266-C279 CovalentContact SG-SG 2.03Å; C266-C279 PolarHBondContact SG-SG 2.87Å |
| 267 | P | 94.4 | Very high | 88.1 | Confident | 13 Ų | 13 | 64.9 Ų | 64.9 | 8% | 0.084 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -60 | 166.5 | 171.7 | -20.4 | 32.8 | 0 | 0 | 0 | 112.6 | H253 G269 Y270 Y444 F446 | H253-P267 HydrophobicContact CB-CG 4.41Å; P267-G269 PolarHBondContact O-N 3.1Å; P267-Y270 HydrophobicContact CB-CD2 4.08Å; P267-Y270 HydrophobicContact CG-CD2 4.41Å; P267-Y270 PolarHBondContact O-N 3.3Å; P267-Y444 HydrophobicContact CB-CD2 4.48Å; P267-Y444 HydrophobicContact CB-CE2 3.53Å; P267-Y444 WeakPolarHBondContact CB-OH 3.26Å; P267-Y444 HydrophobicContact CG-CD2 4.17Å; P267-Y444 HydrophobicContact CG-CE1 3.94Å; P267-Y444 HydrophobicContact CG-CE2 3.55Å; P267-Y444 VanDerWaalsContact CG-CZ 3.42Å; P267-F446 HydrophobicContact CG-CZ 4.02Å |
| 268 | A | 92.1 | Very high | 88.4 | Confident | 94 Ų | 94 | 64.8 Ų | 64.8 | 78% | 0.777 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 140.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y270 | A268-Y270 WeakPolarHBondContact O-CD2 3.24Š|
| 269 | G | 91.3 | Very high | 88.8 | Confident | 18 Ų | 18 | 63.8 Ų | 63.8 | 19% | 0.186 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 2.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P267 I282 | P267-G269 PolarHBondContact O-N 3.1Å; G269-I282 WeakPolarHBondContact O-CB 3Å; G269-I282 WeakPolarHBondContact O-CG1 3.45Å; G269-I282 PolarHBondContact O-N 3.01Å |
| 270 | Y | 94.7 | Very high | 89.4 | Confident | 13 Ų | 13 | 65.4 Ų | 65.4 | 5% | 0.051 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 144.2 | 179.3 | -63.7 | -100.3 | 0 | 0 | 0 | 112.2 | P267 A268 C279 K280 D281 Y302 G303 S442 Y444 F446 | P267-Y270 HydrophobicContact CB-CD2 4.08Å; P267-Y270 HydrophobicContact CG-CD2 4.41Å; P267-Y270 PolarHBondContact O-N 3.3Å; A268-Y270 WeakPolarHBondContact O-CD2 3.24Å; Y270-C279 HydrophobicContact CD1-CB 4.23Å; Y270-C279 HydrophobicContact CG-CB 4.48Å; Y270-K280 CarbonylContact C-O 3.59Å; Y270-K280 WeakPolarHBondContact CA-O 3.43Å; Y270-D281 HydrophobicContact CD1-CB 4.2Å; Y270-D281 HydrophobicContact CE1-CB 4.05Å; Y270-Y302 WeakPolarHBondContact OH-CB 3.27Å; Y270-Y302 PolarHBondContact OH-O 3.15Å; Y270-G303 PolarHBondContact OH-N 3.03Å; Y270-S442 PolarHBondContact OH-OG 2.79Å; Y270-Y444 AromaticContact CE2-CD2 3.9Å; Y270-Y444 HydrophobicContact CE2-CD2 3.9Å; Y270-Y444 HydrophobicContact CE2-CE2 4.14Å; Y270-F446 HydrophobicContact CD1-CE2 4.19Å; Y270-F446 HydrophobicContact CE1-CD2 4.47Å; Y270-F446 AromaticContact CE1-CE2 4Å; Y270-F446 HydrophobicContact CE1-CE2 4Å |
| 271 | N | 92.6 | Very high | 90.3 | Very high | 101 Ų | 101 | 65.4 Ų | 65.4 | 54% | 0.54 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 146.5 | 171.7 | -82.4 | -30.7 | 0 | 0 | 0 | 111.5 | T273 C279 K280 I282 | N271-T273 PolarHBondContact O-N 2.83Å; N271-C279 WeakPolarHBondContact O-CA 3.4Å; N271-K280 PolarHBondContact N-O 2.97Å; N271-K280 PolarHBondContact O-N 3.23Å; N271-I282 HydrophobicContact CB-CG1 4.39Å |
| 272 | V | 90.8 | Very high | 90.8 | Very high | 61 Ų | 61 | 66.6 Ų | 66.6 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 132 | 171.7 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | G276 S278 | V272-G276 VanDerWaalsContact CG1-C 3.48Å; V272-S278 WeakPolarHBondContact CA-O 3.36Å |
| 273 | T | 90.8 | Very high | 91.2 | Very high | 42 Ų | 42 | 66.6 Ų | 66.6 | 26% | 0.258 | 35% | 0.348 | S | S | . | . | trans | -73.8 | 171.8 | 177.7 | 39.9 | 0 | 0 | 0 | 0 | 112.2 | N271 D275 G276 S278 K280 | N271-T273 PolarHBondContact O-N 2.83Å; T273-D275 VanDerWaalsContact CB-OD1 3.3Å; T273-D275 WeakPolarHBondContact CB-OD1 3.29Å; T273-D275 PolarHBondContact O-N 3.39Å; T273-D275 VanDerWaalsContact O-N 3.15Å; T273-D275 PolarHBondContact OG1-OD1 2.85Å; T273-G276 PolarHBondContact O-N 3.42Å; T273-S278 PolarHBondContact N-O 3.01Å; T273-S278 VanDerWaalsContact OG1-CA 3.26Å; T273-S278 WeakPolarHBondContact OG1-CA 3.34Å; T273-S278 WeakPolarHBondContact OG1-CB 3.32Å; T273-S278 PolarHBondContact OG1-N 2.82Å; T273-S278 PolarHBondContact OG1-O 3Å; T273-K280 HydrophobicContact CG2-CB 3.61Å | ||
| 274 | R | 89.4 | Confident | 91.6 | Very high | 261 Ų | 261 | 60.7 Ų | 60.7 | 99% | 0.985 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.8 | -177.2 | -67.4 | -176.8 | 179 | 171 | -0.4 | 114 | G276 | R274-G276 PolarHBondContact O-N 2.86Š|
| 275 | D | 85.9 | Confident | 91.8 | Very high | 83 Ų | 83 | 61.6 Ų | 61.6 | 44% | 0.444 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10.7 | 173.5 | 67.1 | -13.7 | 0 | 0 | 0 | 113.2 | T273 R277 S278 | T273-D275 VanDerWaalsContact CB-OD1 3.3Å; T273-D275 WeakPolarHBondContact CB-OD1 3.29Å; T273-D275 PolarHBondContact O-N 3.39Å; T273-D275 VanDerWaalsContact O-N 3.15Å; T273-D275 PolarHBondContact OG1-OD1 2.85Å; D275-R277 PolarHBondContact O-N 3.49Å; D275-R277 PolarHBondContact OD1-N 2.85Å; D275-S278 PolarHBondContact OD1-N 3.46Å; D275-S278 VanDerWaalsContact OD1-N 3.1Å; D275-S278 WeakPolarHBondContact OD2-CB 3.3Å; D275-S278 PolarHBondContact OD2-N 3.41Å; D275-S278 PolarHBondContact OD2-OG 2.02Å |
| 276 | G | 86.6 | Confident | 91.9 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 36% | 0.361 | 35% | 0.349 | S | S | . | . | S | Bend | trans | 70.3 | 8.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | C264 V272 T273 R274 | C264-G276 VanDerWaalsContact CB-O 3.23Å; C264-G276 WeakPolarHBondContact CB-O 3.4Å; C264-G276 PolarHBondContact SG-O 2.92Å; C264-G276 VanDerWaalsContact SG-O 3.34Å; V272-G276 VanDerWaalsContact CG1-C 3.48Å; T273-G276 PolarHBondContact O-N 3.42Å; R274-G276 PolarHBondContact O-N 2.86Å |
| 277 | R | 86.6 | Confident | 91.6 | Very high | 123 Ų | 123 | 65.4 Ų | 65.4 | 46% | 0.464 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -129.4 | -35.2 | -169.5 | -65.9 | -178.4 | -174.7 | -169.9 | 4.6 | 114.7 | L252 Y262 D275 | L252-R277 WeakPolarHBondContact CB-O 3.44Å; L252-R277 PolarHBondContact N-O 3.5Å; Y262-R277 VanDerWaalsContact OH-CZ 3.32Å; Y262-R277 PolarHBondContact OH-NE 3.44Å; Y262-R277 VanDerWaalsContact OH-NE 3.14Å; Y262-R277 PolarHBondContact OH-NH2 2.95Å; Y262-R277 VanDerWaalsContact OH-NH2 3.13Å; D275-R277 PolarHBondContact O-N 3.49Å; D275-R277 PolarHBondContact OD1-N 2.85Å |
| 278 | S | 89.4 | Confident | 91 | Very high | 45 Ų | 45 | 75.4 Ų | 75.4 | 32% | 0.315 | 40% | 0.397 | S | S | . | . | trans | -93.8 | 164.7 | -178.5 | -45.9 | 0 | 0 | 0 | 0 | 112.3 | V272 T273 D275 | V272-S278 WeakPolarHBondContact CA-O 3.36Å; T273-S278 PolarHBondContact N-O 3.01Å; T273-S278 VanDerWaalsContact OG1-CA 3.26Å; T273-S278 WeakPolarHBondContact OG1-CA 3.34Å; T273-S278 WeakPolarHBondContact OG1-CB 3.32Å; T273-S278 PolarHBondContact OG1-N 2.82Å; T273-S278 PolarHBondContact OG1-O 3Å; D275-S278 PolarHBondContact OD1-N 3.46Å; D275-S278 VanDerWaalsContact OD1-N 3.1Å; D275-S278 WeakPolarHBondContact OD2-CB 3.3Å; D275-S278 PolarHBondContact OD2-N 3.41Å; D275-S278 PolarHBondContact OD2-OG 2.02Å | ||
| 279 | C | 92.7 | Very high | 90.7 | Very high | 13 Ų | 13 | 77 Ų | 77 | 9% | 0.088 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.4 | -179.8 | -60.4 | 0 | 0 | 0 | 0 | 109.5 | L252 C266 Y270 N271 F446 | L252-C279 HydrophobicContact CD2-CB 3.85Å; L252-C279 VanDerWaalsContact CD2-N 3.26Å; C266-C279 VanDerWaalsContact CA-SG 3.51Å; C266-C279 HydrophobicContact CB-CB 3.77Å; C266-C279 WeakPolarHBondContact CB-SG 3.05Å; C266-C279 WeakPolarHBondContact SG-CA 3.38Å; C266-C279 WeakPolarHBondContact SG-CB 3.36Å; C266-C279 CovalentContact SG-SG 2.03Å; C266-C279 PolarHBondContact SG-SG 2.87Å; Y270-C279 HydrophobicContact CD1-CB 4.23Å; Y270-C279 HydrophobicContact CG-CB 4.48Å; N271-C279 WeakPolarHBondContact O-CA 3.4Å; C279-F446 HydrophobicContact CB-CD2 4.34Å; C279-F446 HydrophobicContact CB-CE2 3.83Å |
| 280 | K | 92.1 | Very high | 90.4 | Very high | 146 Ų | 146 | 78 Ų | 78 | 64% | 0.635 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.4 | 175.4 | -179.2 | 176.1 | 179.1 | 178.8 | 0 | 109.6 | Y270 N271 T273 | Y270-K280 CarbonylContact C-O 3.59Å; Y270-K280 WeakPolarHBondContact CA-O 3.43Å; N271-K280 PolarHBondContact N-O 2.97Å; N271-K280 PolarHBondContact O-N 3.23Å; T273-K280 HydrophobicContact CG2-CB 3.61Å |
| 281 | D | 94.8 | Very high | 90.2 | Very high | 30 Ų | 30 | 84.6 Ų | 84.6 | 16% | 0.16 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 139.2 | 175.2 | -174.9 | 65.4 | 0 | 0 | 0 | 111.7 | Y270 N300 Y302 G303 | Y270-D281 HydrophobicContact CD1-CB 4.2Å; Y270-D281 HydrophobicContact CE1-CB 4.05Å; D281-N300 PolarHBondContact OD2-ND2 2.68Å; D281-Y302 HydrophobicContact CB-CD1 4.44Å; D281-Y302 WeakPolarHBondContact OD1-CA 3.4Å; D281-G303 PolarHBondContact OD1-N 3.02Å |
| 282 | I | 93.6 | Very high | 90.2 | Very high | 39 Ų | 39 | 81 Ų | 81 | 20% | 0.2 | 41% | 0.408 | C | S | . | . | trans | -87.6 | 114.3 | 174.8 | -61.2 | 172.6 | 0 | 0 | 0 | 107.3 | G269 N271 E284 | G269-I282 WeakPolarHBondContact O-CB 3Å; G269-I282 WeakPolarHBondContact O-CG1 3.45Å; G269-I282 PolarHBondContact O-N 3.01Å; N271-I282 HydrophobicContact CB-CG1 4.39Å; I282-E284 HydrophobicContact CG2-CG 4.29Å; I282-E284 PolarHBondContact O-N 3.07Å | ||
| 283 | D | 94.9 | Very high | 90.2 | Very high | 64 Ų | 64 | 81.2 Ų | 81.2 | 34% | 0.342 | 41% | 0.41 | S | S | . | . | trans | -79.4 | 91.9 | 176.7 | -170.1 | -23.6 | 0 | 0 | 0 | 110.5 | C285 A286 T287 N300 | D283-C285 PolarHBondContact O-N 3.5Å; D283-C285 WeakPolarHBondContact OD1-CA 3.41Å; D283-C285 WeakPolarHBondContact OD1-CB 3.38Å; D283-C285 PolarHBondContact OD1-N 2.88Å; D283-C285 VanDerWaalsContact OD1-N 3.11Å; D283-A286 HydrophobicContact CB-CB 3.96Å; D283-A286 VanDerWaalsContact CG-CB 3.41Å; D283-A286 PolarHBondContact O-N 3.13Å; D283-A286 PolarHBondContact OD1-N 2.8Å; D283-A286 WeakPolarHBondContact OD2-CB 2.97Å; D283-T287 WeakPolarHBondContact O-CB 3.48Å; D283-T287 WeakPolarHBondContact O-CG2 3.38Å; D283-T287 PolarHBondContact O-N 2.98Å; D283-T287 PolarHBondContact O-OG1 3.43Å; D283-N300 WeakPolarHBondContact CA-OD1 3.44Å | ||
| 284 | E | 94.9 | Very high | 89.9 | Confident | 20 Ų | 20 | 87.9 Ų | 87.9 | 9% | 0.093 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.3 | 179.7 | -56.9 | 91.5 | 173.4 | 0 | 0 | 112.4 | I282 T287 R288 Q289 N290 N300 G304 F305 | I282-E284 HydrophobicContact CG2-CG 4.29Å; I282-E284 PolarHBondContact O-N 3.07Å; E284-T287 WeakPolarHBondContact CA-OG1 3.49Å; E284-R288 PolarHBondContact O-N 3.27Å; E284-Q289 HydrophobicContact CB-CB 4.36Å; E284-Q289 PolarHBondContact O-N 2.02Å; E284-N290 PolarHBondContact O-N 3.34Å; E284-N290 PolarHBondContact O-ND2 2.9Å; E284-N300 PolarHBondContact OE2-OD1 3.09Å; E284-G304 WeakPolarHBondContact OE1-CA 3.45Å; E284-G304 WeakPolarHBondContact OE2-CA 3.46Å; E284-F305 HydrophobicContact CB-CB 4.27Å; E284-F305 HydrophobicContact CB-CD1 3.49Å; E284-F305 VanDerWaalsContact CB-CD1 3.49Å; E284-F305 HydrophobicContact CB-CE1 4.11Å; E284-F305 HydrophobicContact CB-CG 4.05Å; E284-F305 HydrophobicContact CG-CD1 3.71Å; E284-F305 HydrophobicContact CG-CE1 4.22Å; E284-F305 PolarHBondContact OE2-N 3.25Å |
| 285 | C | 93.7 | Very high | 89.7 | Confident | 31 Ų | 31 | 79.4 Ų | 79.4 | 21% | 0.209 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -42.6 | 175 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | D283 N290 C298 N300 | D283-C285 PolarHBondContact O-N 3.5Å; D283-C285 WeakPolarHBondContact OD1-CA 3.41Å; D283-C285 WeakPolarHBondContact OD1-CB 3.38Å; D283-C285 PolarHBondContact OD1-N 2.88Å; D283-C285 VanDerWaalsContact OD1-N 3.11Å; C285-N290 WeakPolarHBondContact CA-ND2 3.29Å; C285-C298 WeakPolarHBondContact CA-SG 3.38Å; C285-C298 HydrophobicContact CB-CB 3.86Å; C285-C298 WeakPolarHBondContact CB-SG 3.44Å; C285-C298 WeakPolarHBondContact SG-CB 3.01Å; C285-C298 CovalentContact SG-SG 2.04Å; C285-C298 PolarHBondContact SG-SG 3.19Å; C285-N300 HydrophobicContact CB-CB 4.36Å; C285-N300 PolarHBondContact SG-N 3.18Å |
| 286 | A | 93.4 | Very high | 90 | Very high | 71 Ų | 71 | 78.3 Ų | 78.3 | 59% | 0.587 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -38.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D283 R288 | D283-A286 HydrophobicContact CB-CB 3.96Å; D283-A286 VanDerWaalsContact CG-CB 3.41Å; D283-A286 PolarHBondContact O-N 3.13Å; D283-A286 PolarHBondContact OD1-N 2.8Å; D283-A286 WeakPolarHBondContact OD2-CB 2.97Å; A286-R288 PolarHBondContact O-N 3.12Å |
| 287 | T | 88.8 | Confident | 90.2 | Very high | 70 Ų | 70 | 79.7 Ų | 79.7 | 43% | 0.429 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -2 | -179.1 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | D283 E284 Q289 | D283-T287 WeakPolarHBondContact O-CB 3.48Å; D283-T287 WeakPolarHBondContact O-CG2 3.38Å; D283-T287 PolarHBondContact O-N 2.98Å; D283-T287 PolarHBondContact O-OG1 3.43Å; E284-T287 WeakPolarHBondContact CA-OG1 3.49Å; T287-Q289 PolarHBondContact O-N 2.9Å |
| 288 | R | 82.2 | Confident | 90.6 | Very high | 224 Ų | 224 | 75.4 Ų | 75.4 | 85% | 0.845 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 30.8 | -174.2 | -55.6 | -174 | -178.4 | -176.6 | 1 | 113.4 | E284 A286 N290 | E284-R288 PolarHBondContact O-N 3.27Å; A286-R288 PolarHBondContact O-N 3.12Å; R288-N290 VanDerWaalsContact C-N 3.28Å |
| 289 | Q | 85.5 | Confident | 90.9 | Very high | 128 Ų | 128 | 74.1 Ų | 74.1 | 60% | 0.598 | 39% | 0.386 | S | S | * | . | trans | -93.7 | 11.4 | 172.4 | -63.5 | -179.2 | 10 | 0 | 0 | 111.7 | E284 T287 | E284-Q289 HydrophobicContact CB-CB 4.36Å; E284-Q289 PolarHBondContact O-N 2.02Å; T287-Q289 PolarHBondContact O-N 2.9Å | ||
| 290 | N | 85.1 | Confident | 91 | Very high | 39 Ų | 39 | 75.6 Ų | 75.6 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | trans | -81.5 | 132 | 173.1 | 60.8 | 90.9 | 0 | 0 | 0 | 110.9 | E284 C285 R288 C292 C298 F305 | E284-N290 PolarHBondContact O-N 3.34Å; E284-N290 PolarHBondContact O-ND2 2.9Å; C285-N290 WeakPolarHBondContact CA-ND2 3.29Å; R288-N290 VanDerWaalsContact C-N 3.28Å; N290-C292 PolarHBondContact O-N 3.39Å; N290-C298 HydrophobicContact CB-CB 4.34Å; N290-C298 WeakPolarHBondContact CB-SG 3.22Å; N290-C298 VanDerWaalsContact CG-SG 3.52Å; N290-F305 HydrophobicContact CB-CD2 3.69Å; N290-F305 HydrophobicContact CB-CE2 3.67Å; N290-F305 HydrophobicContact CB-CG 4.18Å; N290-F305 HydrophobicContact CB-CZ 4.14Å | ||
| 291 | N | 90.3 | Very high | 91.1 | Very high | 151 Ų | 151 | 69.5 Ų | 69.5 | 81% | 0.807 | 37% | 0.368 | S | S | * | . | trans | -88.1 | 34.1 | 175.1 | -74.3 | -6.7 | 0 | 0 | 0 | 111.9 | ||||
| 292 | C | 92.1 | Very high | 91 | Very high | 24 Ų | 24 | 72.6 Ų | 72.6 | 16% | 0.162 | 38% | 0.379 | C | S | . | . | trans | -76.1 | 144.5 | 179.3 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | N290 Q296 C307 | N290-C292 PolarHBondContact O-N 3.39Å; C292-Q296 HydrophobicContact CB-CB 4.19Å; C292-C307 WeakPolarHBondContact CA-SG 3.3Å; C292-C307 HydrophobicContact CB-CB 3.82Å; C292-C307 WeakPolarHBondContact CB-SG 3.12Å; C292-C307 VanDerWaalsContact SG-CA 3.56Å; C292-C307 WeakPolarHBondContact SG-CB 3.26Å; C292-C307 CovalentContact SG-SG 2.03Å; C292-C307 PolarHBondContact SG-SG 2.97Å | ||
| 293 | T | 91.8 | Very high | 90.9 | Very high | 67 Ų | 67 | 72.2 Ų | 72.2 | 41% | 0.411 | 38% | 0.384 | S | S | . | . | trans | -74.2 | 159.5 | 173.1 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | D295 Q296 | T293-D295 WeakPolarHBondContact CB-OD1 3.35Å; T293-D295 PolarHBondContact O-N 3.25Å; T293-D295 PolarHBondContact OG1-OD1 2.86Å; T293-Q296 WeakPolarHBondContact O-CB 3.3Å; T293-Q296 PolarHBondContact O-N 3.27Å; T293-Q296 VanDerWaalsContact OG1-CG 3.22Å; T293-Q296 WeakPolarHBondContact OG1-CG 3.29Å; T293-Q296 PolarHBondContact OG1-OE1 2.84Å | ||
| 294 | N | 83.7 | Confident | 90.8 | Very high | 182 Ų | 182 | 69.8 Ų | 69.8 | 97% | 0.973 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -23.3 | -176.6 | -73.3 | -30 | 0 | 0 | 0 | 114.7 | ||
| 295 | D | 86.4 | Confident | 90.8 | Very high | 83 Ų | 83 | 71.6 Ų | 71.6 | 44% | 0.444 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -3.3 | 179.1 | 66.1 | -55.9 | 0 | 0 | 0 | 113.5 | T293 R309 | T293-D295 WeakPolarHBondContact CB-OD1 3.35Å; T293-D295 PolarHBondContact O-N 3.25Å; T293-D295 PolarHBondContact OG1-OD1 2.86Å; D295-R309 IonicContact OD1-NH2 2.61Å; D295-R309 IonicContact OD2-CZ 3.07Å; D295-R309 IonicContact OD2-NE 2.71Å; D295-R309 PolarHBondContact OD2-NE 2.82Å; D295-R309 IonicContact OD2-NH2 2.65Å; D295-R309 PolarHBondContact OD2-NH2 2.79Å |
| 296 | Q | 91.5 | Very high | 90.8 | Very high | 60 Ų | 60 | 74.6 Ų | 74.6 | 28% | 0.28 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -99.6 | 149.1 | 174.7 | -69.4 | 171 | -17.6 | 0 | 0 | 110.6 | C292 T293 C307 R309 | C292-Q296 HydrophobicContact CB-CB 4.19Å; T293-Q296 WeakPolarHBondContact O-CB 3.3Å; T293-Q296 PolarHBondContact O-N 3.27Å; T293-Q296 VanDerWaalsContact OG1-CG 3.22Å; T293-Q296 WeakPolarHBondContact OG1-CG 3.29Å; T293-Q296 PolarHBondContact OG1-OE1 2.84Å; Q296-C307 HydrophobicContact CB-CB 4.15Å; Q296-C307 HydrophobicContact CG-CB 4.44Å; Q296-C307 VanDerWaalsContact OE1-CB 3.31Å; Q296-R309 HydrophobicContact CG-CB 4.44Å |
| 297 | M | 91.6 | Very high | 90.9 | Very high | 64 Ų | 64 | 73 Ų | 73 | 32% | 0.315 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 135.3 | 169 | -179.6 | -178.4 | -65.1 | 0 | 0 | 109.7 | C307 V308 P325 M326 | M297-C307 CarbonylContact O-C 3.58Å; M297-C307 WeakPolarHBondContact O-CA 3.36Å; M297-V308 HydrophobicContact CB-CG2 4.04Å; M297-V308 PolarHBondContact N-O 2.81Å; M297-V308 PolarHBondContact O-N 3.16Å; M297-P325 HydrophobicContact CE-CB 3.36Å; M297-P325 HydrophobicContact CE-CG 4.38Å; M297-M326 HydrophobicContact CE-CE 3.8Å; M297-M326 HydrophobicContact CE-CG 3.93Å; M297-M326 HydrophobicContact CE-SD 3.7Å; M297-M326 HydrophobicContact SD-CE 3.13Å; M297-M326 WeakPolarHBondContact SD-CE 3.47Å; M297-M326 HydrophobicContact SD-CG 4.47Å; M297-M326 HydrophobicContact SD-SD 3.78Å |
| 298 | C | 94.4 | Very high | 91.1 | Very high | 32 Ų | 32 | 70.6 Ų | 70.6 | 22% | 0.216 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 128 | 170.3 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | C285 N290 | C285-C298 WeakPolarHBondContact CA-SG 3.38Å; C285-C298 HydrophobicContact CB-CB 3.86Å; C285-C298 WeakPolarHBondContact CB-SG 3.44Å; C285-C298 WeakPolarHBondContact SG-CB 3.01Å; C285-C298 CovalentContact SG-SG 2.04Å; C285-C298 PolarHBondContact SG-SG 3.19Å; N290-C298 HydrophobicContact CB-CB 4.34Å; N290-C298 WeakPolarHBondContact CB-SG 3.22Å; N290-C298 VanDerWaalsContact CG-SG 3.52Å |
| 299 | V | 94.9 | Very high | 91.6 | Very high | 18 Ų | 18 | 65.9 Ų | 65.9 | 11% | 0.109 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 118.4 | 170.2 | 178.4 | 0 | 0 | 0 | 0 | 108.1 | F305 Q306 V308 Y351 F440 | V299-F305 CarbonylContact O-C 3.55Å; V299-F305 WeakPolarHBondContact O-CA 3.45Å; V299-Q306 PolarHBondContact N-O 3.47Å; V299-Q306 PolarHBondContact O-N 3.22Å; V299-V308 HydrophobicContact CG2-CG1 4.2Å; V299-V308 HydrophobicContact CG2-CG2 3.64Å; V299-Y351 HydrophobicContact CG2-CD2 4.15Å; V299-Y351 HydrophobicContact CG2-CG 3.99Å; V299-F440 HydrophobicContact CB-CE2 4.48Å; V299-F440 HydrophobicContact CG1-CD2 4.31Å; V299-F440 HydrophobicContact CG1-CE2 4.01Å |
| 300 | N | 94.7 | Very high | 92 | Very high | 44 Ų | 44 | 60.1 Ų | 60.1 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 136.8 | 177 | -165.9 | 54.2 | 0 | 0 | 0 | 110.3 | D281 D283 E284 C285 A353 | D281-N300 PolarHBondContact OD2-ND2 2.68Å; D283-N300 WeakPolarHBondContact CA-OD1 3.44Å; E284-N300 PolarHBondContact OE2-OD1 3.09Å; C285-N300 HydrophobicContact CB-CB 4.36Å; C285-N300 PolarHBondContact SG-N 3.18Å; N300-A353 WeakPolarHBondContact O-CB 3.04Å |
| 301 | T | 94.7 | Very high | 92.4 | Very high | 18 Ų | 18 | 63.5 Ų | 63.5 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 156.9 | 179.9 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | G303 G304 Q306 A353 F440 | T301-G303 PolarHBondContact O-N 3.23Å; T301-G304 CarbonylContact C-O 3.5Å; T301-G304 VanDerWaalsContact C-O 3.25Å; T301-G304 VanDerWaalsContact CA-O 3.24Å; T301-G304 WeakPolarHBondContact CA-O 3.37Å; T301-G304 WeakPolarHBondContact CB-O 3.36Å; T301-G304 PolarHBondContact N-O 3.18Å; T301-G304 CarbonylContact O-C 3.57Å; T301-G304 PolarHBondContact O-N 2.04Å; T301-G304 VanDerWaalsContact O-N 3.11Å; T301-G304 PolarHBondContact OG1-O 3.11Å; T301-Q306 HydrophobicContact CG2-CB 4.48Å; T301-Q306 HydrophobicContact CG2-CG 4.11Å; T301-A353 HydrophobicContact CG2-CB 4.35Å; T301-F440 HydrophobicContact CG2-CB 3.77Å; T301-F440 HydrophobicContact CG2-CD2 3.58Å; T301-F440 HydrophobicContact CG2-CE2 4.33Å; T301-F440 HydrophobicContact CG2-CG 3.78Å |
| 302 | Y | 93.6 | Very high | 92.6 | Very high | 96 Ų | 96 | 57.8 Ų | 57.8 | 38% | 0.376 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 106.8 | 177.7 | -73.6 | -76.5 | 0 | 0 | 0 | 110.7 | Y270 D281 A353 V355 S442 | Y270-Y302 WeakPolarHBondContact OH-CB 3.27Å; Y270-Y302 PolarHBondContact OH-O 3.15Å; D281-Y302 HydrophobicContact CB-CD1 4.44Å; D281-Y302 WeakPolarHBondContact OD1-CA 3.4Å; Y302-A353 HydrophobicContact CD2-CB 3.9Å; Y302-A353 HydrophobicContact CE2-CB 4.15Å; Y302-V355 HydrophobicContact CD1-CG1 4.35Å; Y302-V355 HydrophobicContact CD2-CG1 4.29Å; Y302-V355 HydrophobicContact CE1-CG1 4.24Å; Y302-V355 HydrophobicContact CE2-CG1 4.2Å; Y302-V355 HydrophobicContact CG-CG1 4.38Å; Y302-S442 PolarHBondContact O-OG 3.11Å; Y302-S442 VanDerWaalsContact O-OG 3.14Å |
| 303 | G | 90.6 | Very high | 92.7 | Very high | 31 Ų | 31 | 58.1 Ų | 58.1 | 32% | 0.32 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | 10.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y270 D281 T301 | Y270-G303 PolarHBondContact OH-N 3.03Å; D281-G303 PolarHBondContact OD1-N 3.02Å; T301-G303 PolarHBondContact O-N 3.23Å |
| 304 | G | 93.1 | Very high | 92.8 | Very high | 13 Ų | 13 | 65 Ų | 65 | 13% | 0.134 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.2 | -157.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E284 T301 | E284-G304 WeakPolarHBondContact OE1-CA 3.45Å; E284-G304 WeakPolarHBondContact OE2-CA 3.46Å; T301-G304 CarbonylContact C-O 3.5Å; T301-G304 VanDerWaalsContact C-O 3.25Å; T301-G304 VanDerWaalsContact CA-O 3.24Å; T301-G304 WeakPolarHBondContact CA-O 3.37Å; T301-G304 WeakPolarHBondContact CB-O 3.36Å; T301-G304 PolarHBondContact N-O 3.18Å; T301-G304 CarbonylContact O-C 3.57Å; T301-G304 PolarHBondContact O-N 2.04Å; T301-G304 VanDerWaalsContact O-N 3.11Å; T301-G304 PolarHBondContact OG1-O 3.11Å |
| 305 | F | 94.7 | Very high | 93.2 | Very high | 57 Ų | 57 | 58.7 Ų | 58.7 | 25% | 0.25 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 162.2 | 179.3 | 65.4 | -79.8 | 0 | 0 | 0 | 112.1 | E284 N290 V299 C307 | E284-F305 HydrophobicContact CB-CB 4.27Å; E284-F305 HydrophobicContact CB-CD1 3.49Å; E284-F305 VanDerWaalsContact CB-CD1 3.49Å; E284-F305 HydrophobicContact CB-CE1 4.11Å; E284-F305 HydrophobicContact CB-CG 4.05Å; E284-F305 HydrophobicContact CG-CD1 3.71Å; E284-F305 HydrophobicContact CG-CE1 4.22Å; E284-F305 PolarHBondContact OE2-N 3.25Å; N290-F305 HydrophobicContact CB-CD2 3.69Å; N290-F305 HydrophobicContact CB-CE2 3.67Å; N290-F305 HydrophobicContact CB-CG 4.18Å; N290-F305 HydrophobicContact CB-CZ 4.14Å; V299-F305 CarbonylContact O-C 3.55Å; V299-F305 WeakPolarHBondContact O-CA 3.45Å; F305-C307 VanDerWaalsContact CE2-SG 3.6Å |
| 306 | Q | 94.8 | Very high | 93.5 | Very high | 95 Ų | 95 | 59.2 Ų | 59.2 | 44% | 0.444 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129.7 | 172.1 | -71 | -61.8 | -5.9 | 0 | 0 | 111.8 | V299 T301 V308 F440 | V299-Q306 PolarHBondContact N-O 3.47Å; V299-Q306 PolarHBondContact O-N 3.22Å; T301-Q306 HydrophobicContact CG2-CB 4.48Å; T301-Q306 HydrophobicContact CG2-CG 4.11Å; Q306-V308 HydrophobicContact CB-CG1 4.37Å; Q306-F440 HydrophobicContact CB-CE1 4.43Å; Q306-F440 HydrophobicContact CB-CE2 4.28Å; Q306-F440 HydrophobicContact CB-CZ 4.03Å; Q306-F440 HydrophobicContact CG-CD1 4.28Å; Q306-F440 HydrophobicContact CG-CE1 4.01Å; Q306-F440 HydrophobicContact CG-CE2 4.47Å; Q306-F440 HydrophobicContact CG-CZ 4.11Å |
| 307 | C | 94.4 | Very high | 93.2 | Very high | 38 Ų | 38 | 62.8 Ų | 62.8 | 26% | 0.257 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 107.7 | 173.5 | -55 | 0 | 0 | 0 | 0 | 109.2 | C292 Q296 M297 F305 | C292-C307 WeakPolarHBondContact CA-SG 3.3Å; C292-C307 HydrophobicContact CB-CB 3.82Å; C292-C307 WeakPolarHBondContact CB-SG 3.12Å; C292-C307 VanDerWaalsContact SG-CA 3.56Å; C292-C307 WeakPolarHBondContact SG-CB 3.26Å; C292-C307 CovalentContact SG-SG 2.03Å; C292-C307 PolarHBondContact SG-SG 2.97Å; Q296-C307 HydrophobicContact CB-CB 4.15Å; Q296-C307 HydrophobicContact CG-CB 4.44Å; Q296-C307 VanDerWaalsContact OE1-CB 3.31Å; M297-C307 CarbonylContact O-C 3.58Å; M297-C307 WeakPolarHBondContact O-CA 3.36Å; F305-C307 VanDerWaalsContact CE2-SG 3.6Å |
| 308 | V | 93.9 | Very high | 93.2 | Very high | 18 Ų | 18 | 60 Ų | 60 | 11% | 0.109 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 135.3 | -176.8 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | M297 V299 Q306 Y351 F440 | M297-V308 HydrophobicContact CB-CG2 4.04Å; M297-V308 PolarHBondContact N-O 2.81Å; M297-V308 PolarHBondContact O-N 3.16Å; V299-V308 HydrophobicContact CG2-CG1 4.2Å; V299-V308 HydrophobicContact CG2-CG2 3.64Å; Q306-V308 HydrophobicContact CB-CG1 4.37Å; V308-Y351 HydrophobicContact CB-CD1 4.45Å; V308-Y351 HydrophobicContact CB-CE1 3.85Å; V308-Y351 HydrophobicContact CB-CE2 4.29Å; V308-Y351 HydrophobicContact CG1-CD1 3.9Å; V308-Y351 HydrophobicContact CG1-CE1 3.65Å; V308-Y351 HydrophobicContact CG2-CD1 4.43Å; V308-Y351 HydrophobicContact CG2-CD2 4.07Å; V308-Y351 HydrophobicContact CG2-CE1 4.07Å; V308-Y351 HydrophobicContact CG2-CE2 3.66Å; V308-Y351 HydrophobicContact CG2-CG 4.44Å; V308-F440 HydrophobicContact CG1-CZ 4.27Å |
| 309 | R | 92.4 | Very high | 93.1 | Very high | 126 Ų | 126 | 63 Ų | 63 | 48% | 0.475 | 33% | 0.328 | S | S | . | . | trans | -110.9 | 128.2 | 170.3 | -173.2 | -174.2 | -69.6 | 156 | 2 | 108.9 | D295 Q296 | D295-R309 IonicContact OD1-NH2 2.61Å; D295-R309 IonicContact OD2-CZ 3.07Å; D295-R309 IonicContact OD2-NE 2.71Å; D295-R309 PolarHBondContact OD2-NE 2.82Å; D295-R309 IonicContact OD2-NH2 2.65Å; D295-R309 PolarHBondContact OD2-NH2 2.79Å; Q296-R309 HydrophobicContact CG-CB 4.44Å | ||
| 310 | V | 93.1 | Very high | 93 | Very high | 6 Ų | 6 | 63.3 Ų | 63.3 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | trans | -100 | 111.7 | 174.2 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | K322 P325 M326 Y349 Y351 | V310-K322 PolarHBondContact O-NZ 3.31Å; V310-P325 WeakPolarHBondContact CB-O 3.43Å; V310-P325 WeakPolarHBondContact CG2-O 2.99Å; V310-M326 HydrophobicContact CG2-SD 3.98Å; V310-Y349 HydrophobicContact CG1-CD1 4.14Å; V310-Y349 HydrophobicContact CG1-CD2 3.36Å; V310-Y349 HydrophobicContact CG1-CE1 4.2Å; V310-Y349 HydrophobicContact CG1-CE2 3.48Å; V310-Y349 VanDerWaalsContact CG1-CE2 3.48Å; V310-Y349 HydrophobicContact CG1-CG 3.73Å; V310-Y349 HydrophobicContact CG2-CD1 4.32Å; V310-Y349 HydrophobicContact CG2-CD2 4.41Å; V310-Y349 HydrophobicContact CG2-CG 3.99Å; V310-Y351 HydrophobicContact CG2-CE2 4.28Å; V310-Y351 WeakPolarHBondContact CG2-OH 3.46Å | ||
| 311 | D | 94.1 | Very high | 93 | Very high | 111 Ų | 111 | 64.6 Ų | 64.6 | 59% | 0.594 | 34% | 0.337 | S | S | * | . | trans | -106.6 | 133.2 | 173 | -65.5 | -46.8 | 0 | 0 | 0 | 110.4 | Y349 | D311-Y349 PolarHBondContact O-OH 3.43Å; D311-Y349 VanDerWaalsContact O-OH 3.06Å | ||
| 312 | C | 94.7 | Very high | 93 | Very high | 31 Ų | 31 | 68.2 Ų | 68.2 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | trans | -70.1 | 141.3 | 179.5 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | K322 C328 | C312-K322 PolarHBondContact SG-N 3.18Å; C312-C328 WeakPolarHBondContact CA-SG 3.42Å; C312-C328 HydrophobicContact CB-CB 3.77Å; C312-C328 WeakPolarHBondContact CB-SG 3.3Å; C312-C328 WeakPolarHBondContact SG-CB 3.5Å; C312-C328 CovalentContact SG-SG 2.04Å; C312-C328 PolarHBondContact SG-SG 3.4Å | ||
| 313 | P | 94.6 | Very high | 93 | Very high | 31 Ų | 31 | 66.9 Ų | 66.9 | 20% | 0.201 | 35% | 0.353 | C | S | . | . | trans | -68 | 139.8 | -174.4 | 26.8 | -32.5 | 0 | 0 | 0 | 111.3 | I315 Y320 F347 | P313-I315 HydrophobicContact CB-CD1 4.35Å; P313-I315 HydrophobicContact CB-CG1 4.16Å; P313-I315 HydrophobicContact CG-CD1 4.44Å; P313-I315 PolarHBondContact O-N 3.32Å; P313-Y320 HydrophobicContact CG-CD2 4.24Å; P313-Y320 HydrophobicContact CG-CG 4.32Å; P313-Y320 WeakPolarHBondContact O-CD2 3.46Å; P313-F347 HydrophobicContact CB-CE2 4.48Å; P313-F347 HydrophobicContact CB-CZ 4.45Å; P313-F347 HydrophobicContact CG-CD1 4.18Å; P313-F347 HydrophobicContact CG-CD2 3.44Å; P313-F347 VanDerWaalsContact CG-CD2 3.44Å; P313-F347 HydrophobicContact CG-CE1 4.13Å; P313-F347 HydrophobicContact CG-CE2 3.4Å; P313-F347 VanDerWaalsContact CG-CE2 3.4Å; P313-F347 HydrophobicContact CG-CG 3.85Å; P313-F347 HydrophobicContact CG-CZ 3.76Å | ||
| 314 | K | 93.9 | Very high | 93 | Very high | 210 Ų | 210 | 67.6 Ų | 67.6 | 91% | 0.913 | 35% | 0.354 | S | S | * | . | trans | -93.7 | 96.6 | 174.4 | -62.1 | -178 | -177 | 178.3 | 0 | 108.6 | ||||
| 315 | I | 91.9 | Very high | 92.9 | Very high | 50 Ų | 50 | 70.8 Ų | 70.8 | 26% | 0.256 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -108.8 | 135.3 | -179 | -56.7 | -176.8 | 0 | 0 | 0 | 108.9 | P313 H317 A318 Y320 T343 F347 | P313-I315 HydrophobicContact CB-CD1 4.35Å; P313-I315 HydrophobicContact CB-CG1 4.16Å; P313-I315 HydrophobicContact CG-CD1 4.44Å; P313-I315 PolarHBondContact O-N 3.32Å; I315-H317 PolarHBondContact O-N 3.3Å; I315-A318 PolarHBondContact O-N 3.39Å; I315-Y320 HydrophobicContact CB-CE2 4.16Å; I315-Y320 HydrophobicContact CD1-CE2 3.84Å; I315-Y320 HydrophobicContact CG1-CE2 4.1Å; I315-T343 HydrophobicContact CG2-CG2 3.97Å; I315-F347 HydrophobicContact CD1-CE2 4Å; I315-F347 HydrophobicContact CD1-CZ 3.77Å |
| 316 | P | 90.9 | Very high | 92.8 | Very high | 95 Ų | 95 | 70.2 Ų | 70.2 | 62% | 0.617 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 138.7 | 173.8 | -25.4 | 34.5 | 0 | 0 | 0 | 111.5 | A318 | P316-A318 PolarHBondContact O-N 3.12Å; P316-A318 VanDerWaalsContact O-N 3.09Å |
| 317 | H | 86.3 | Confident | 92.8 | Very high | 134 Ų | 134 | 69.3 Ų | 69.3 | 62% | 0.62 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 5.8 | 177.1 | -45.7 | -71.9 | 0 | 0 | 0 | 116.2 | I315 A339 C340 | I315-H317 PolarHBondContact O-N 3.3Å; H317-A339 HydrophobicContact CB-CB 4.25Å; H317-C340 VanDerWaalsContact O-CB 3.23Å; H317-C340 WeakPolarHBondContact O-CB 3.35Å |
| 318 | A | 90.7 | Very high | 92.8 | Very high | 7 Ų | 7 | 67.5 Ų | 67.5 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -138.9 | 129.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I315 P316 Y320 R330 T343 | I315-A318 PolarHBondContact O-N 3.39Å; P316-A318 PolarHBondContact O-N 3.12Å; P316-A318 VanDerWaalsContact O-N 3.09Å; A318-Y320 HydrophobicContact CB-CE2 3.85Å; A318-R330 HydrophobicContact CB-CG 4.19Å; A318-T343 HydrophobicContact CB-CG2 3.8Å; A318-T343 WeakPolarHBondContact CB-OG1 3.39Å |
| 319 | T | 92.2 | Very high | 92.9 | Very high | 93 Ų | 93 | 70 Ų | 70 | 57% | 0.571 | 36% | 0.361 | S | S | * | . | trans | -105.2 | 139.8 | 174.6 | 52.8 | 0 | 0 | 0 | 0 | 110 | R330 N331 | T319-R330 WeakPolarHBondContact O-CA 3.38Å; T319-N331 PolarHBondContact O-N 2.95Å; T319-N331 PolarHBondContact OG1-ND2 3.4Å | ||
| 320 | Y | 94.8 | Very high | 92.9 | Very high | 26 Ų | 26 | 66.3 Ų | 66.3 | 10% | 0.102 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.3 | -179.5 | -68.1 | -95.2 | 0 | 0 | 0 | 110 | P313 I315 A318 E329 R330 T343 P344 F347 | P313-Y320 HydrophobicContact CG-CD2 4.24Å; P313-Y320 HydrophobicContact CG-CG 4.32Å; P313-Y320 WeakPolarHBondContact O-CD2 3.46Å; I315-Y320 HydrophobicContact CB-CE2 4.16Å; I315-Y320 HydrophobicContact CD1-CE2 3.84Å; I315-Y320 HydrophobicContact CG1-CE2 4.1Å; A318-Y320 HydrophobicContact CB-CE2 3.85Å; Y320-E329 CarbonylContact C-O 3.58Å; Y320-E329 VanDerWaalsContact CA-O 3.3Å; Y320-E329 WeakPolarHBondContact CA-O 3.33Å; Y320-R330 HydrophobicContact CD1-CB 3.87Å; Y320-R330 HydrophobicContact CD1-CG 4.38Å; Y320-R330 HydrophobicContact CE1-CB 3.49Å; Y320-R330 VanDerWaalsContact CE1-CB 3.49Å; Y320-R330 HydrophobicContact CE1-CG 3.92Å; Y320-R330 HydrophobicContact CE2-CG 4.35Å; Y320-T343 WeakPolarHBondContact OH-CB 3.02Å; Y320-T343 PolarHBondContact OH-OG1 2.82Å; Y320-P344 VanDerWaalsContact CE1-O 3.29Å; Y320-P344 WeakPolarHBondContact CE1-O 3.49Å; Y320-P344 PolarHBondContact OH-O 3.34Å; Y320-F347 AromaticContact CD1-CD2 3.98Å; Y320-F347 HydrophobicContact CD1-CD2 3.98Å; Y320-F347 HydrophobicContact CD1-CE2 4.21Å; Y320-F347 AromaticContact CE1-CD2 3.67Å; Y320-F347 HydrophobicContact CE1-CD2 3.67Å; Y320-F347 AromaticContact CE1-CE2 3.54Å; Y320-F347 HydrophobicContact CE1-CE2 3.54Å; Y320-F347 HydrophobicContact CE2-CE2 4.3Å; Y320-F347 AromaticContact CZ-CE2 3.61Å |
| 321 | V | 94.3 | Very high | 92.8 | Very high | 71 Ų | 71 | 69 Ų | 69 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 143.8 | 175 | 65.6 | 0 | 0 | 0 | 0 | 109.7 | T323 C328 E329 | V321-T323 HydrophobicContact CG1-CG2 4.16Å; V321-T323 PolarHBondContact O-N 2.89Å; V321-C328 CarbonylContact O-C 3.57Å; V321-C328 VanDerWaalsContact O-CA 3.28Å; V321-C328 WeakPolarHBondContact O-CA 3.23Å; V321-E329 PolarHBondContact N-O 3.43Å; V321-E329 PolarHBondContact O-N 2.66Å |
| 322 | K | 93.9 | Very high | 92.6 | Very high | 94 Ų | 94 | 69.7 Ų | 69.7 | 41% | 0.409 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 108.4 | 176.6 | -169 | 167.2 | -178.1 | 167.3 | 0 | 108.9 | V310 C312 S324 P325 R327 | V310-K322 PolarHBondContact O-NZ 3.31Å; C312-K322 PolarHBondContact SG-N 3.18Å; K322-S324 WeakPolarHBondContact CE-O 3.43Å; K322-S324 WeakPolarHBondContact CG-O 3.35Å; K322-P325 VanDerWaalsContact CE-O 3.32Å; K322-P325 WeakPolarHBondContact CE-O 3.47Å; K322-R327 CarbonylContact C-O 3.57Å; K322-R327 WeakPolarHBondContact CA-O 3.31Å |
| 323 | T | 92.9 | Very high | 92.1 | Very high | 67 Ų | 67 | 69.9 Ų | 69.9 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -20.4 | 178.9 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | V321 R327 E329 | V321-T323 HydrophobicContact CG1-CG2 4.16Å; V321-T323 PolarHBondContact O-N 2.89Å; T323-R327 PolarHBondContact N-O 3.43Å; T323-E329 HydrophobicContact CG2-CB 3.72Å; T323-E329 HydrophobicContact CG2-CG 3.86Å; T323-E329 PolarHBondContact OG1-OE1 3.03Å |
| 324 | S | 91.7 | Very high | 91.7 | Very high | 47 Ų | 47 | 72.6 Ų | 72.6 | 33% | 0.329 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 169.7 | 169.7 | 86.8 | 0 | 0 | 0 | 0 | 110.2 | K322 M326 R327 | K322-S324 WeakPolarHBondContact CE-O 3.43Å; K322-S324 WeakPolarHBondContact CG-O 3.35Å; S324-M326 PolarHBondContact O-N 3.33Å; S324-M326 PolarHBondContact OG-N 2.89Å; S324-R327 PolarHBondContact N-O 2.92Å; S324-R327 PolarHBondContact O-N 2.79Å; S324-R327 VanDerWaalsContact O-N 3.16Å; S324-R327 WeakPolarHBondContact OG-CB 3.43Å; S324-R327 PolarHBondContact OG-N 3Å; S324-R327 VanDerWaalsContact OG-N 3.11Å |
| 325 | P | 90.6 | Very high | 90.9 | Very high | 80 Ų | 80 | 71.1 Ų | 71.1 | 52% | 0.519 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -27 | 174.8 | -29.3 | 37.4 | 0 | 0 | 0 | 114.2 | M297 V310 K322 | M297-P325 HydrophobicContact CE-CB 3.36Å; M297-P325 HydrophobicContact CE-CG 4.38Å; V310-P325 WeakPolarHBondContact CB-O 3.43Å; V310-P325 WeakPolarHBondContact CG2-O 2.99Å; K322-P325 VanDerWaalsContact CE-O 3.32Å; K322-P325 WeakPolarHBondContact CE-O 3.47Å |
| 326 | M | 92.6 | Very high | 90.3 | Very high | 45 Ų | 45 | 76.1 Ų | 76.1 | 22% | 0.222 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | 8.8 | -175 | -60.8 | -55.4 | -137.6 | 0 | 0 | 113.9 | M297 V310 S324 S348 Y349 Y351 | M297-M326 HydrophobicContact CE-CE 3.8Å; M297-M326 HydrophobicContact CE-CG 3.93Å; M297-M326 HydrophobicContact CE-SD 3.7Å; M297-M326 HydrophobicContact SD-CE 3.13Å; M297-M326 WeakPolarHBondContact SD-CE 3.47Å; M297-M326 HydrophobicContact SD-CG 4.47Å; M297-M326 HydrophobicContact SD-SD 3.78Å; V310-M326 HydrophobicContact CG2-SD 3.98Å; S324-M326 PolarHBondContact O-N 3.33Å; S324-M326 PolarHBondContact OG-N 2.89Å; M326-S348 CarbonylContact O-C 3.58Å; M326-S348 WeakPolarHBondContact O-CA 3.23Å; M326-Y349 WeakPolarHBondContact CB-O 3.03Å; M326-Y349 PolarHBondContact O-N 3.45Å; M326-Y351 HydrophobicContact CE-CD2 3.32Å; M326-Y351 HydrophobicContact CE-CE2 3.5Å; M326-Y351 VanDerWaalsContact CE-CE2 3.5Å; M326-Y351 HydrophobicContact SD-CD2 4.17Å; M326-Y351 HydrophobicContact SD-CE2 3.71Å |
| 327 | R | 94.3 | Very high | 89.8 | Confident | 75 Ų | 75 | 73.7 Ų | 73.7 | 28% | 0.283 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 134.4 | -172.9 | -162.3 | 175.3 | -153.5 | -131.4 | 1.4 | 112.5 | K322 T323 S324 E329 S346 F347 | K322-R327 CarbonylContact C-O 3.57Å; K322-R327 WeakPolarHBondContact CA-O 3.31Å; T323-R327 PolarHBondContact N-O 3.43Å; S324-R327 PolarHBondContact N-O 2.92Å; S324-R327 PolarHBondContact O-N 2.79Å; S324-R327 VanDerWaalsContact O-N 3.16Å; S324-R327 WeakPolarHBondContact OG-CB 3.43Å; S324-R327 PolarHBondContact OG-N 3Å; S324-R327 VanDerWaalsContact OG-N 3.11Å; R327-E329 HydrophobicContact CG-CG 4.48Å; R327-E329 IonicContact CZ-OE1 3.57Å; R327-E329 IonicContact NE-OE1 2.78Å; R327-E329 IonicContact NH1-OE1 3.02Å; R327-E329 PolarHBondContact NH1-OE1 3Å; R327-S346 PolarHBondContact NH2-OG 3.05Å; R327-S346 VanDerWaalsContact NH2-OG 3.14Å; R327-F347 WeakPolarHBondContact CA-O 3.41Å |
| 328 | C | 96.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133 | 170.3 | -63.6 | 0 | 0 | 0 | 0 | 109.5 | C312 V321 S346 F347 | C312-C328 WeakPolarHBondContact CA-SG 3.42Å; C312-C328 HydrophobicContact CB-CB 3.77Å; C312-C328 WeakPolarHBondContact CB-SG 3.3Å; C312-C328 WeakPolarHBondContact SG-CB 3.5Å; C312-C328 CovalentContact SG-SG 2.04Å; C312-C328 PolarHBondContact SG-SG 3.4Å; V321-C328 CarbonylContact O-C 3.57Å; V321-C328 VanDerWaalsContact O-CA 3.28Å; V321-C328 WeakPolarHBondContact O-CA 3.23Å; C328-S346 CarbonylContact O-C 3.5Å; C328-S346 WeakPolarHBondContact O-CA 3.36Å; C328-S346 WeakPolarHBondContact O-CB 3.42Å; C328-F347 HydrophobicContact CB-CB 4.33Å; C328-F347 PolarHBondContact N-O 3.15Å; C328-F347 PolarHBondContact O-N 3.46Å |
| 329 | E | 94.7 | Very high | 89.6 | Confident | 70 Ų | 70 | 76.9 Ų | 76.9 | 33% | 0.327 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 143.3 | 176.1 | -70.8 | 174.5 | -147.6 | 0 | 0 | 110.1 | Y320 V321 T323 R327 | Y320-E329 CarbonylContact C-O 3.58Å; Y320-E329 VanDerWaalsContact CA-O 3.3Å; Y320-E329 WeakPolarHBondContact CA-O 3.33Å; V321-E329 PolarHBondContact N-O 3.43Å; V321-E329 PolarHBondContact O-N 2.66Å; T323-E329 HydrophobicContact CG2-CB 3.72Å; T323-E329 HydrophobicContact CG2-CG 3.86Å; T323-E329 PolarHBondContact OG1-OE1 3.03Å; R327-E329 HydrophobicContact CG-CG 4.48Å; R327-E329 IonicContact CZ-OE1 3.57Å; R327-E329 IonicContact NE-OE1 2.78Å; R327-E329 IonicContact NH1-OE1 3.02Å; R327-E329 PolarHBondContact NH1-OE1 3Å |
| 330 | R | 93.6 | Very high | 89.4 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 19% | 0.185 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 137.7 | 178.1 | -164.3 | -175.8 | 61.8 | -136.4 | 7.2 | 109.5 | A318 T319 Y320 C333 T343 P344 T345 | A318-R330 HydrophobicContact CB-CG 4.19Å; T319-R330 WeakPolarHBondContact O-CA 3.38Å; Y320-R330 HydrophobicContact CD1-CB 3.87Å; Y320-R330 HydrophobicContact CD1-CG 4.38Å; Y320-R330 HydrophobicContact CE1-CB 3.49Å; Y320-R330 VanDerWaalsContact CE1-CB 3.49Å; Y320-R330 HydrophobicContact CE1-CG 3.92Å; Y320-R330 HydrophobicContact CE2-CG 4.35Å; R330-C333 PolarHBondContact NE-SG 3.29Å; R330-T343 WeakPolarHBondContact CD-OG1 3.37Å; R330-T343 PolarHBondContact NH1-O 3.41Å; R330-T343 PolarHBondContact NH1-OG1 3.44Å; R330-P344 VanDerWaalsContact NH1-C 3.26Å; R330-P344 PolarHBondContact NH1-O 2.97Å; R330-T345 WeakPolarHBondContact CB-O 3.45Å; R330-T345 PolarHBondContact N-O 2.8Å |
| 331 | N | 89.2 | Confident | 88.9 | Confident | 64 Ų | 64 | 74.6 Ų | 74.6 | 34% | 0.342 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -63 | 153.8 | 168.3 | -71.9 | -28.1 | 0 | 0 | 0 | 111.1 | T319 C333 | T319-N331 PolarHBondContact O-N 2.95Å; T319-N331 PolarHBondContact OG1-ND2 3.4Å; N331-C333 PolarHBondContact O-N 3.45Å |
| 332 | P | 90.1 | Very high | 88.6 | Confident | 124 Ų | 124 | 77.7 Ų | 77.7 | 81% | 0.805 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 132.6 | 173.8 | -26.7 | 35.1 | 0 | 0 | 0 | 111.6 | ||
| 333 | C | 85.5 | Confident | 88.5 | Confident | 35 Ų | 35 | 74 Ų | 74 | 24% | 0.236 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 137.9 | 178.5 | -65.1 | 0 | 0 | 0 | 0 | 110.4 | R330 N331 C340 S341 | R330-C333 PolarHBondContact NE-SG 3.29Å; N331-C333 PolarHBondContact O-N 3.45Å; C333-C340 WeakPolarHBondContact CA-SG 3.21Å; C333-C340 HydrophobicContact CB-CB 3.64Å; C333-C340 WeakPolarHBondContact CB-SG 3.13Å; C333-C340 WeakPolarHBondContact SG-CB 3.24Å; C333-C340 PolarHBondContact SG-O 2.04Å; C333-C340 VanDerWaalsContact SG-O 3.4Å; C333-C340 CovalentContact SG-SG 2.04Å; C333-C340 PolarHBondContact SG-SG 3.25Å; C333-S341 PolarHBondContact SG-N 3.34Å |
| 334 | P | 85.4 | Confident | 88.6 | Confident | 89 Ų | 89 | 71.1 Ų | 71.1 | 58% | 0.578 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 145.8 | 167 | -22.5 | 33.1 | 0 | 0 | 0 | 110.9 | D336 N337 | P334-D336 PolarHBondContact O-N 3.28Å; P334-D336 VanDerWaalsContact O-N 3.07Å; P334-N337 HydrophobicContact CB-CB 4.36Å; P334-N337 PolarHBondContact O-N 3.44Å |
| 335 | L | 76.8 | Confident | 88.6 | Confident | 178 Ų | 178 | 70.3 Ų | 70.3 | 93% | 0.932 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -34.5 | -170.2 | -70.6 | 167.2 | 0 | 0 | 0 | 114 | ||
| 336 | D | 78.9 | Confident | 88.7 | Confident | 156 Ų | 156 | 66.7 Ų | 66.7 | 83% | 0.834 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -4.2 | -175.8 | -59 | -46.1 | 0 | 0 | 0 | 114.5 | P334 K338 | P334-D336 PolarHBondContact O-N 3.28Å; P334-D336 VanDerWaalsContact O-N 3.07Å; D336-K338 PolarHBondContact O-N 3.22Å; D336-K338 VanDerWaalsContact O-N 3.09Å |
| 337 | N | 82.4 | Confident | 88.8 | Confident | 43 Ų | 43 | 65 Ų | 65 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | trans | -89.7 | 79.1 | -174.9 | -167.9 | -14.5 | 0 | 0 | 0 | 111.5 | P334 A339 C340 S341 | P334-N337 HydrophobicContact CB-CB 4.36Å; P334-N337 PolarHBondContact O-N 3.44Å; N337-A339 PolarHBondContact O-N 2.85Å; N337-A339 WeakPolarHBondContact OD1-CB 3.38Å; N337-A339 PolarHBondContact OD1-N 3.48Å; N337-C340 HydrophobicContact CB-CB 4.03Å; N337-C340 WeakPolarHBondContact O-CB 2.99Å; N337-C340 PolarHBondContact O-N 3.34Å; N337-C340 VanDerWaalsContact O-N 3.11Å; N337-C340 PolarHBondContact OD1-N 2.79Å; N337-S341 PolarHBondContact O-N 3.5Å | ||
| 338 | K | 83.7 | Confident | 88.8 | Confident | 162 Ų | 162 | 62.4 Ų | 62.4 | 70% | 0.704 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.1 | -29.5 | 175.4 | -70.4 | -175.4 | -178.5 | 176.7 | 0 | 113.2 | D336 S341 Q342 | D336-K338 PolarHBondContact O-N 3.22Å; D336-K338 VanDerWaalsContact O-N 3.09Å; K338-S341 PolarHBondContact O-N 3.14Å; K338-S341 PolarHBondContact O-OG 3.13Å; K338-S341 VanDerWaalsContact O-OG 3.06Å; K338-Q342 WeakPolarHBondContact O-CG 3.34Å; K338-Q342 PolarHBondContact O-N 3.26Å |
| 339 | A | 87.9 | Confident | 88.7 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | H317 N337 Q342 T343 | H317-A339 HydrophobicContact CB-CB 4.25Å; N337-A339 PolarHBondContact O-N 2.85Å; N337-A339 WeakPolarHBondContact OD1-CB 3.38Å; N337-A339 PolarHBondContact OD1-N 3.48Å; A339-Q342 PolarHBondContact O-N 2.76Å; A339-T343 WeakPolarHBondContact O-CG2 3.35Å; A339-T343 PolarHBondContact O-N 2.95Å |
| 340 | C | 88.1 | Confident | 88.7 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 3% | 0.027 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 175.4 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | H317 C333 N337 Q342 T343 | H317-C340 VanDerWaalsContact O-CB 3.23Å; H317-C340 WeakPolarHBondContact O-CB 3.35Å; C333-C340 WeakPolarHBondContact CA-SG 3.21Å; C333-C340 HydrophobicContact CB-CB 3.64Å; C333-C340 WeakPolarHBondContact CB-SG 3.13Å; C333-C340 WeakPolarHBondContact SG-CB 3.24Å; C333-C340 PolarHBondContact SG-O 2.04Å; C333-C340 VanDerWaalsContact SG-O 3.4Å; C333-C340 CovalentContact SG-SG 2.04Å; C333-C340 PolarHBondContact SG-SG 3.25Å; N337-C340 HydrophobicContact CB-CB 4.03Å; N337-C340 WeakPolarHBondContact O-CB 2.99Å; N337-C340 PolarHBondContact O-N 3.34Å; N337-C340 VanDerWaalsContact O-N 3.11Å; N337-C340 PolarHBondContact OD1-N 2.79Å; C340-Q342 PolarHBondContact O-N 2.74Å; C340-T343 WeakPolarHBondContact O-CB 3.39Å; C340-T343 PolarHBondContact O-N 3.43Å; C340-T343 VanDerWaalsContact O-N 3.08Å; C340-T343 PolarHBondContact O-OG1 3.18Å |
| 341 | S | 84.9 | Confident | 88.7 | Confident | 68 Ų | 68 | 63.5 Ų | 63.5 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.9 | -25.1 | -175.9 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | C333 N337 K338 | C333-S341 PolarHBondContact SG-N 3.34Å; N337-S341 PolarHBondContact O-N 3.5Å; K338-S341 PolarHBondContact O-N 3.14Å; K338-S341 PolarHBondContact O-OG 3.13Å; K338-S341 VanDerWaalsContact O-OG 3.06Å |
| 342 | Q | 87.9 | Confident | 88.8 | Confident | 135 Ų | 135 | 63 Ų | 63 | 63% | 0.631 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -80 | -17.3 | 175.2 | -69.4 | 177.2 | 8.3 | 0 | 0 | 114.3 | K338 A339 C340 | K338-Q342 WeakPolarHBondContact O-CG 3.34Å; K338-Q342 PolarHBondContact O-N 3.26Å; A339-Q342 PolarHBondContact O-N 2.76Å; C340-Q342 PolarHBondContact O-N 2.74Å |
| 343 | T | 91.8 | Very high | 88.9 | Confident | 16 Ų | 16 | 58.6 Ų | 58.6 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -67.7 | 163.7 | 175 | 66.5 | 0 | 0 | 0 | 0 | 111.1 | I315 A318 Y320 R330 A339 C340 | I315-T343 HydrophobicContact CG2-CG2 3.97Å; A318-T343 HydrophobicContact CB-CG2 3.8Å; A318-T343 WeakPolarHBondContact CB-OG1 3.39Å; Y320-T343 WeakPolarHBondContact OH-CB 3.02Å; Y320-T343 PolarHBondContact OH-OG1 2.82Å; R330-T343 WeakPolarHBondContact CD-OG1 3.37Å; R330-T343 PolarHBondContact NH1-O 3.41Å; R330-T343 PolarHBondContact NH1-OG1 3.44Å; A339-T343 WeakPolarHBondContact O-CG2 3.35Å; A339-T343 PolarHBondContact O-N 2.95Å; C340-T343 WeakPolarHBondContact O-CB 3.39Å; C340-T343 PolarHBondContact O-N 3.43Å; C340-T343 VanDerWaalsContact O-N 3.08Å; C340-T343 PolarHBondContact O-OG1 3.18Å |
| 344 | P | 93.7 | Very high | 89.2 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 5% | 0.045 | 31% | 0.313 | C | S | . | . | trans | -60.8 | 141.7 | 174.6 | -25.1 | 36.5 | 0 | 0 | 0 | 112.5 | Y320 R330 F347 R432 I434 | Y320-P344 VanDerWaalsContact CE1-O 3.29Å; Y320-P344 WeakPolarHBondContact CE1-O 3.49Å; Y320-P344 PolarHBondContact OH-O 3.34Å; R330-P344 VanDerWaalsContact NH1-C 3.26Å; R330-P344 PolarHBondContact NH1-O 2.97Å; P344-F347 HydrophobicContact CB-CD2 4.46Å; P344-F347 HydrophobicContact CB-CE2 3.73Å; P344-F347 HydrophobicContact CB-CZ 3.85Å; P344-F347 HydrophobicContact CG-CE2 4.03Å; P344-F347 HydrophobicContact CG-CZ 3.69Å; P344-R432 CarbonylContact C-O 3.59Å; P344-R432 WeakPolarHBondContact CA-O 3.35Å; P344-R432 WeakPolarHBondContact CB-O 3.45Å; P344-I434 HydrophobicContact CB-CD1 4.04Å; P344-I434 HydrophobicContact CB-CG1 4.07Å; P344-I434 HydrophobicContact CG-CD1 3.43Å; P344-I434 VanDerWaalsContact CG-CD1 3.43Å; P344-I434 HydrophobicContact CG-CG1 3.99Å | ||
| 345 | T | 92.3 | Very high | 89.5 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 19% | 0.19 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -75.8 | -35.3 | 177.3 | 48 | 0 | 0 | 0 | 0 | 111.9 | R330 R432 Y433 | R330-T345 WeakPolarHBondContact CB-O 3.45Å; R330-T345 PolarHBondContact N-O 2.8Å; T345-R432 PolarHBondContact N-O 2.95Å; T345-R432 PolarHBondContact OG1-O 3.38Å; T345-Y433 WeakPolarHBondContact OG1-CD1 3.46Å; T345-Y433 WeakPolarHBondContact OG1-CE1 3.33Å |
| 346 | S | 93.4 | Very high | 90.1 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.028 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 155.8 | 174.6 | 76.8 | 0 | 0 | 0 | 0 | 112.8 | R327 C328 Y433 I434 | R327-S346 PolarHBondContact NH2-OG 3.05Å; R327-S346 VanDerWaalsContact NH2-OG 3.14Å; C328-S346 CarbonylContact O-C 3.5Å; C328-S346 WeakPolarHBondContact O-CA 3.36Å; C328-S346 WeakPolarHBondContact O-CB 3.42Å; S346-Y433 WeakPolarHBondContact OG-CD1 3.31Å; S346-I434 PolarHBondContact O-N 3.18Å |
| 347 | F | 94.8 | Very high | 90.6 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 4% | 0.044 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129.3 | 166.6 | -68.2 | -98.9 | 0 | 0 | 0 | 109.3 | P313 I315 Y320 R327 C328 P344 Y349 I434 | P313-F347 HydrophobicContact CB-CE2 4.48Å; P313-F347 HydrophobicContact CB-CZ 4.45Å; P313-F347 HydrophobicContact CG-CD1 4.18Å; P313-F347 HydrophobicContact CG-CD2 3.44Å; P313-F347 VanDerWaalsContact CG-CD2 3.44Å; P313-F347 HydrophobicContact CG-CE1 4.13Å; P313-F347 HydrophobicContact CG-CE2 3.4Å; P313-F347 VanDerWaalsContact CG-CE2 3.4Å; P313-F347 HydrophobicContact CG-CG 3.85Å; P313-F347 HydrophobicContact CG-CZ 3.76Å; I315-F347 HydrophobicContact CD1-CE2 4Å; I315-F347 HydrophobicContact CD1-CZ 3.77Å; Y320-F347 AromaticContact CD1-CD2 3.98Å; Y320-F347 HydrophobicContact CD1-CD2 3.98Å; Y320-F347 HydrophobicContact CD1-CE2 4.21Å; Y320-F347 AromaticContact CE1-CD2 3.67Å; Y320-F347 HydrophobicContact CE1-CD2 3.67Å; Y320-F347 AromaticContact CE1-CE2 3.54Å; Y320-F347 HydrophobicContact CE1-CE2 3.54Å; Y320-F347 HydrophobicContact CE2-CE2 4.3Å; Y320-F347 AromaticContact CZ-CE2 3.61Å; R327-F347 WeakPolarHBondContact CA-O 3.41Å; C328-F347 HydrophobicContact CB-CB 4.33Å; C328-F347 PolarHBondContact N-O 3.15Å; C328-F347 PolarHBondContact O-N 3.46Å; P344-F347 HydrophobicContact CB-CD2 4.46Å; P344-F347 HydrophobicContact CB-CE2 3.73Å; P344-F347 HydrophobicContact CB-CZ 3.85Å; P344-F347 HydrophobicContact CG-CE2 4.03Å; P344-F347 HydrophobicContact CG-CZ 3.69Å; F347-Y349 HydrophobicContact CB-CE2 3.9Å; F347-I434 CarbonylContact C-O 3.6Å; F347-I434 VanDerWaalsContact CA-O 3.25Å; F347-I434 WeakPolarHBondContact CA-O 3.5Å; F347-I434 HydrophobicContact CD1-CB 3.69Å; F347-I434 HydrophobicContact CD1-CD1 4.42Å; F347-I434 HydrophobicContact CD1-CG2 3.78Å; F347-I434 HydrophobicContact CE1-CB 3.78Å; F347-I434 HydrophobicContact CE1-CD1 3.61Å; F347-I434 HydrophobicContact CE1-CG1 4.17Å; F347-I434 HydrophobicContact CE1-CG2 3.89Å; F347-I434 HydrophobicContact CG-CB 4.44Å; F347-I434 HydrophobicContact CZ-CD1 3.94Å |
| 348 | S | 93.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 13% | 0.133 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 145.9 | 169.2 | 57.4 | 0 | 0 | 0 | 0 | 110.8 | M326 H350 I434 T435 K436 | M326-S348 CarbonylContact O-C 3.58Å; M326-S348 WeakPolarHBondContact O-CA 3.23Å; S348-H350 PolarHBondContact OG-NE2 3.2Å; S348-I434 PolarHBondContact N-O 3.47Å; S348-T435 CarbonylContact O-C 3.59Å; S348-T435 WeakPolarHBondContact O-CA 3.23Å; S348-T435 PolarHBondContact OG-OG1 3.49Å; S348-K436 PolarHBondContact O-N 2.92Å |
| 349 | Y | 94.7 | Very high | 90.7 | Very high | 24 Ų | 24 | 38 Ų | 38 | 9% | 0.094 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.8 | -175.9 | -61.4 | -105.5 | 0 | 0 | 0 | 108.7 | V310 D311 M326 F347 K436 | V310-Y349 HydrophobicContact CG1-CD1 4.14Å; V310-Y349 HydrophobicContact CG1-CD2 3.36Å; V310-Y349 HydrophobicContact CG1-CE1 4.2Å; V310-Y349 HydrophobicContact CG1-CE2 3.48Å; V310-Y349 VanDerWaalsContact CG1-CE2 3.48Å; V310-Y349 HydrophobicContact CG1-CG 3.73Å; V310-Y349 HydrophobicContact CG2-CD1 4.32Å; V310-Y349 HydrophobicContact CG2-CD2 4.41Å; V310-Y349 HydrophobicContact CG2-CG 3.99Å; D311-Y349 PolarHBondContact O-OH 3.43Å; D311-Y349 VanDerWaalsContact O-OH 3.06Å; M326-Y349 WeakPolarHBondContact CB-O 3.03Å; M326-Y349 PolarHBondContact O-N 3.45Å; F347-Y349 HydrophobicContact CB-CE2 3.9Å; Y349-K436 CarbonylContact C-O 3.57Å; Y349-K436 WeakPolarHBondContact CA-O 3.44Å; Y349-K436 HydrophobicContact CD1-CB 4.15Å; Y349-K436 HydrophobicContact CD1-CD 4.23Å; Y349-K436 HydrophobicContact CE1-CD 3.82Å; Y349-K436 HydrophobicContact CE1-CG 4.43Å |
| 350 | H | 93.1 | Very high | 90.6 | Very high | 77 Ų | 77 | 37.5 Ų | 37.5 | 36% | 0.356 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 135 | -177.3 | -63.5 | -95.3 | 0 | 0 | 0 | 109.3 | S348 F365 T435 K436 I437 T438 | S348-H350 PolarHBondContact OG-NE2 3.2Å; H350-F365 HydrophobicContact CB-CE1 4Å; H350-F365 HydrophobicContact CB-CZ 4.12Å; H350-T435 VanDerWaalsContact CD2-CG2 3.43Å; H350-T435 WeakPolarHBondContact CD2-CG2 3.5Å; H350-K436 PolarHBondContact N-O 3.36Å; H350-I437 HydrophobicContact CB-CG1 4.22Å; H350-I437 CarbonylContact O-C 3.53Å; H350-I437 WeakPolarHBondContact O-CA 3.43Å; H350-T438 PolarHBondContact O-N 2.88Å |
| 351 | Y | 93.6 | Very high | 90.7 | Very high | 42 Ų | 42 | 42.6 Ų | 42.6 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.2 | 179.9 | -54.4 | -92.3 | 0 | 0 | 0 | 109 | V299 V308 V310 M326 T438 F440 | V299-Y351 HydrophobicContact CG2-CD2 4.15Å; V299-Y351 HydrophobicContact CG2-CG 3.99Å; V308-Y351 HydrophobicContact CB-CD1 4.45Å; V308-Y351 HydrophobicContact CB-CE1 3.85Å; V308-Y351 HydrophobicContact CB-CE2 4.29Å; V308-Y351 HydrophobicContact CG1-CD1 3.9Å; V308-Y351 HydrophobicContact CG1-CE1 3.65Å; V308-Y351 HydrophobicContact CG2-CD1 4.43Å; V308-Y351 HydrophobicContact CG2-CD2 4.07Å; V308-Y351 HydrophobicContact CG2-CE1 4.07Å; V308-Y351 HydrophobicContact CG2-CE2 3.66Å; V308-Y351 HydrophobicContact CG2-CG 4.44Å; V310-Y351 HydrophobicContact CG2-CE2 4.28Å; V310-Y351 WeakPolarHBondContact CG2-OH 3.46Å; M326-Y351 HydrophobicContact CE-CD2 3.32Å; M326-Y351 HydrophobicContact CE-CE2 3.5Å; M326-Y351 VanDerWaalsContact CE-CE2 3.5Å; M326-Y351 HydrophobicContact SD-CD2 4.17Å; M326-Y351 HydrophobicContact SD-CE2 3.71Å; Y351-T438 CarbonylContact C-O 3.52Å; Y351-T438 VanDerWaalsContact CA-O 3.27Å; Y351-T438 WeakPolarHBondContact CA-O 3.49Å; Y351-T438 HydrophobicContact CD1-CG2 4.18Å; Y351-F440 AromaticContact CD1-CE2 3.93Å; Y351-F440 HydrophobicContact CD1-CE2 3.93Å; Y351-F440 AromaticContact CD1-CZ 4Å; Y351-F440 HydrophobicContact CD1-CZ 4Å; Y351-F440 HydrophobicContact CG-CE2 4.42Å |
| 352 | L | 91.2 | Very high | 90.9 | Very high | 52 Ų | 52 | 45.4 Ų | 45.4 | 27% | 0.272 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 145.9 | 176.6 | -63.4 | 178.1 | 0 | 0 | 0 | 110.2 | F365 T438 M439 F440 | L352-F365 HydrophobicContact CD1-CD2 4.13Å; L352-F365 HydrophobicContact CD1-CE1 4.39Å; L352-F365 HydrophobicContact CD1-CE2 3.1Å; L352-F365 HydrophobicContact CD1-CZ 3.28Å; L352-F365 HydrophobicContact CD2-CE1 4.45Å; L352-F365 HydrophobicContact CD2-CZ 3.87Å; L352-F365 HydrophobicContact CG-CE2 3.87Å; L352-F365 HydrophobicContact CG-CZ 3.5Å; L352-F365 VanDerWaalsContact CG-CZ 3.5Å; L352-T438 PolarHBondContact N-O 3.1Å; L352-M439 HydrophobicContact CB-CG 4.44Å; L352-M439 CarbonylContact O-C 3.54Å; L352-M439 WeakPolarHBondContact O-CA 3.05Å; L352-F440 WeakPolarHBondContact O-CD2 3Å; L352-F440 PolarHBondContact O-N 3.38Å |
| 353 | A | 92.5 | Very high | 90.9 | Very high | 32 Ų | 32 | 41.6 Ų | 41.6 | 26% | 0.264 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 133.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | N300 T301 Y302 F440 | N300-A353 WeakPolarHBondContact O-CB 3.04Å; T301-A353 HydrophobicContact CG2-CB 4.35Å; Y302-A353 HydrophobicContact CD2-CB 3.9Å; Y302-A353 HydrophobicContact CE2-CB 4.15Å; A353-F440 WeakPolarHBondContact CA-O 3.09Å |
| 354 | V | 91.8 | Very high | 90.7 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 10% | 0.097 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 153.3 | 177.4 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | L358 M364 M439 F440 V441 S442 | V354-L358 HydrophobicContact CB-CD1 4.41Å; V354-L358 HydrophobicContact CB-CD2 4.46Å; V354-L358 HydrophobicContact CG1-CD2 4.44Å; V354-M364 HydrophobicContact CG1-CE 4.08Å; V354-M439 HydrophobicContact CG1-CG 4.12Å; V354-M439 HydrophobicContact CG1-SD 4Å; V354-M439 HydrophobicContact CG2-CE 4.24Å; V354-M439 HydrophobicContact CG2-CG 3.62Å; V354-M439 HydrophobicContact CG2-SD 3.68Å; V354-F440 PolarHBondContact N-O 3.29Å; V354-V441 HydrophobicContact CG2-CB 4.21Å; V354-V441 HydrophobicContact CG2-CG1 4.24Å; V354-V441 HydrophobicContact CG2-CG2 3.78Å; V354-V441 WeakPolarHBondContact O-CA 3.02Å; V354-S442 PolarHBondContact O-N 3.36Å |
| 355 | V | 91.5 | Very high | 90.2 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 16% | 0.164 | 24% | 0.244 | C | C | . | . | trans | -72.3 | 159 | 172.2 | -62.4 | 0 | 0 | 0 | 0 | 111.2 | Y302 L358 | Y302-V355 HydrophobicContact CD1-CG1 4.35Å; Y302-V355 HydrophobicContact CD2-CG1 4.29Å; Y302-V355 HydrophobicContact CE1-CG1 4.24Å; Y302-V355 HydrophobicContact CE2-CG1 4.2Å; Y302-V355 HydrophobicContact CG-CG1 4.38Å; V355-L358 HydrophobicContact CG2-CD1 3.76Å | ||
| 356 | S | 90.9 | Very high | 89.8 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 157 | 172.1 | -162.2 | 0 | 0 | 0 | 0 | 111.3 | L358 G411 S442 Y444 | S356-L358 PolarHBondContact O-N 3.43Å; S356-G411 PolarHBondContact OG-N 3.24Å; S356-S442 VanDerWaalsContact CB-O 3.31Å; S356-S442 WeakPolarHBondContact CB-O 3.12Å; S356-Y444 WeakPolarHBondContact CB-O 3.48Å; S356-Y444 PolarHBondContact N-O 2.93Å |
| 357 | N | 88.2 | Confident | 89 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 40% | 0.401 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 36.5 | 175 | -161.2 | 18.3 | 0 | 0 | 0 | 113.7 | S359 V409 E445 | N357-S359 PolarHBondContact O-N 2.88Å; N357-V409 WeakPolarHBondContact CA-O 3.45Å; N357-V409 PolarHBondContact N-O 3.44Å; N357-E445 HydrophobicContact CB-CG 3.94Å; N357-E445 WeakPolarHBondContact CB-OE1 3.45Å; N357-E445 PolarHBondContact ND2-OE1 3.06Å |
| 358 | L | 85.4 | Confident | 87.9 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 11% | 0.105 | 30% | 0.297 | C | S | . | . | trans | -58.8 | 127.2 | 177.7 | -149.9 | 79.7 | 0 | 0 | 0 | 110.1 | V354 V355 S356 M364 L405 | V354-L358 HydrophobicContact CB-CD1 4.41Å; V354-L358 HydrophobicContact CB-CD2 4.46Å; V354-L358 HydrophobicContact CG1-CD2 4.44Å; V355-L358 HydrophobicContact CG2-CD1 3.76Å; S356-L358 PolarHBondContact O-N 3.43Å; L358-M364 HydrophobicContact CD2-CE 3.68Å; L358-M364 HydrophobicContact CD2-SD 3.87Å; L358-L405 HydrophobicContact CB-CD2 4.16Å; L358-L405 HydrophobicContact CD2-CD2 4.08Å | ||
| 359 | S | 84 | Confident | 86.6 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 57% | 0.573 | 30% | 0.301 | S | S | * | . | trans | -61.4 | 138.2 | -179.6 | 54.8 | 0 | 0 | 0 | 0 | 111.7 | N357 R362 | N357-S359 PolarHBondContact O-N 2.88Å; S359-R362 WeakPolarHBondContact O-CB 3.32Å | ||
| 360 | A | 85.8 | Confident | 85 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 31% | 0.306 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -125.6 | 145.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L405 | A360-L405 HydrophobicContact CB-CD2 4.37Å; A360-L405 HydrophobicContact CB-CG 4.35Å |
| 361 | P | 89.3 | Confident | 83.5 | Confident | 111 Ų | 111 | 67.4 Ų | 67.4 | 72% | 0.721 | 35% | 0.353 | S | S | * | . | S | Bend | cis | -80 | 139.1 | 5.6 | 31.2 | -34 | 0 | 0 | 0 | 113.6 | L405 | P361-L405 VanDerWaalsContact CA-O 3.24Å; P361-L405 WeakPolarHBondContact CA-O 3.38Å |
| 362 | R | 88.9 | Confident | 81.6 | Confident | 126 Ų | 126 | 73.8 Ų | 73.8 | 48% | 0.475 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 136.9 | 179.7 | -175.5 | 171.7 | -175.6 | 157.6 | 0.4 | 111.8 | S359 M364 M404 L405 | S359-R362 WeakPolarHBondContact O-CB 3.32Å; R362-M364 HydrophobicContact CB-SD 4.5Å; R362-M364 HydrophobicContact CG-SD 4.25Å; R362-M364 PolarHBondContact O-N 3.42Å; R362-M404 CarbonylContact O-C 3.58Å; R362-M404 VanDerWaalsContact O-CA 3.29Å; R362-M404 WeakPolarHBondContact O-CA 3.06Å; R362-L405 PolarHBondContact N-O 2.99Å; R362-L405 PolarHBondContact O-N 3.47Å |
| 363 | V | 89.1 | Confident | 79.7 | Confident | 56 Ų | 56 | 75.3 Ų | 75.3 | 34% | 0.339 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 119.4 | 173.2 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | R366 Q402 M404 | V363-R366 HydrophobicContact CG1-CG 4.26Å; V363-Q402 HydrophobicContact CG1-CB 4.1Å; V363-Q402 HydrophobicContact CG1-CG 3.78Å; V363-Q402 VanDerWaalsContact CG2-OE1 3.27Å; V363-M404 HydrophobicContact CG2-CG 4.21Å; V363-M404 HydrophobicContact CG2-SD 4.17Å |
| 364 | M | 86.1 | Confident | 77.9 | Confident | 33 Ų | 33 | 74.9 Ų | 74.9 | 16% | 0.163 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -42.1 | -178.7 | -58.8 | -57.8 | -77.3 | 0 | 0 | 111.7 | V354 L358 R362 L403 L405 M439 | V354-M364 HydrophobicContact CG1-CE 4.08Å; L358-M364 HydrophobicContact CD2-CE 3.68Å; L358-M364 HydrophobicContact CD2-SD 3.87Å; R362-M364 HydrophobicContact CB-SD 4.5Å; R362-M364 HydrophobicContact CG-SD 4.25Å; R362-M364 PolarHBondContact O-N 3.42Å; M364-L403 PolarHBondContact N-O 3.22Å; M364-L405 HydrophobicContact CG-CB 3.72Å; M364-L405 HydrophobicContact SD-CB 3.99Å; M364-M439 HydrophobicContact CE-SD 3.49Å; M364-M439 WeakPolarHBondContact CE-SD 3.04Å |
| 365 | F | 84.3 | Confident | 76.3 | Confident | 35 Ų | 35 | 79.1 Ų | 79.1 | 15% | 0.154 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 144.8 | 177.1 | -74.1 | -98.2 | 0 | 0 | 0 | 111.3 | H350 L352 Q402 L403 I437 | H350-F365 HydrophobicContact CB-CE1 4Å; H350-F365 HydrophobicContact CB-CZ 4.12Å; L352-F365 HydrophobicContact CD1-CD2 4.13Å; L352-F365 HydrophobicContact CD1-CE1 4.39Å; L352-F365 HydrophobicContact CD1-CE2 3.1Å; L352-F365 HydrophobicContact CD1-CZ 3.28Å; L352-F365 HydrophobicContact CD2-CE1 4.45Å; L352-F365 HydrophobicContact CD2-CZ 3.87Å; L352-F365 HydrophobicContact CG-CE2 3.87Å; L352-F365 HydrophobicContact CG-CZ 3.5Å; L352-F365 VanDerWaalsContact CG-CZ 3.5Å; F365-Q402 CarbonylContact O-C 3.48Å; F365-Q402 VanDerWaalsContact O-CA 3.23Å; F365-Q402 WeakPolarHBondContact O-CA 3.36Å; F365-L403 HydrophobicContact CB-CB 4.05Å; F365-L403 HydrophobicContact CD2-CD2 4.02Å; F365-L403 PolarHBondContact N-O 3.13Å; F365-L403 PolarHBondContact O-N 3.02Å; F365-I437 HydrophobicContact CB-CD1 4.5Å; F365-I437 HydrophobicContact CD1-CD1 4.29Å; F365-I437 HydrophobicContact CD2-CD1 3.7Å; F365-I437 HydrophobicContact CD2-CG1 4.33Å; F365-I437 HydrophobicContact CD2-CG2 4.12Å; F365-I437 HydrophobicContact CE1-CD1 4.41Å; F365-I437 HydrophobicContact CE1-CG1 4.32Å; F365-I437 HydrophobicContact CE2-CB 4.2Å; F365-I437 HydrophobicContact CE2-CD1 3.81Å; F365-I437 HydrophobicContact CE2-CG1 3.92Å; F365-I437 HydrophobicContact CE2-CG2 3.23Å; F365-I437 HydrophobicContact CG-CD1 3.92Å; F365-I437 HydrophobicContact CZ-CB 4.39Å; F365-I437 HydrophobicContact CZ-CD1 4.16Å; F365-I437 HydrophobicContact CZ-CG1 3.91Å; F365-I437 HydrophobicContact CZ-CG2 3.62Å |
| 366 | R | 84.5 | Confident | 75.2 | Confident | 189 Ų | 189 | 80.6 Ų | 80.6 | 71% | 0.713 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.8 | 160.7 | -74.4 | 176.6 | 179.5 | 162.9 | 3.6 | 107.9 | V363 G401 Q402 | V363-R366 HydrophobicContact CG1-CG 4.26Å; R366-G401 CarbonylContact C-O 3.59Å; R366-G401 WeakPolarHBondContact CA-O 3.37Å; R366-Q402 HydrophobicContact CG-CG 3.71Å |
| 367 | V | 74.9 | Confident | 74.5 | Confident | 22 Ų | 22 | 80.6 Ų | 80.6 | 13% | 0.133 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.9 | 175.6 | -172.2 | 0 | 0 | 0 | 0 | 107 | F379 T400 G401 M421 | V367-F379 HydrophobicContact CB-CE1 3.91Å; V367-F379 HydrophobicContact CG1-CE1 3.96Å; V367-T400 CarbonylContact O-C 3.56Å; V367-T400 VanDerWaalsContact O-CA 3.25Å; V367-T400 WeakPolarHBondContact O-CA 3.43Å; V367-G401 PolarHBondContact N-O 3.31Å; V367-G401 PolarHBondContact O-N 3.1Å; V367-M421 HydrophobicContact CG1-SD 3.97Å |
| 368 | S | 72.6 | Confident | 74.3 | Confident | 77 Ų | 77 | 85 Ų | 85 | 54% | 0.538 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 150.8 | 178.6 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | Q399 | S368-Q399 WeakPolarHBondContact CA-O 3.43Å |
| 369 | A | 67.2 | Low | 74.3 | Confident | 25 Ų | 25 | 85.3 Ų | 85.3 | 21% | 0.207 | 43% | 0.433 | C | S | . | . | trans | -74.7 | 139 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R371 L377 Q399 | A369-R371 VanDerWaalsContact C-N 3.26Å; A369-R371 PolarHBondContact O-N 3Å; A369-L377 HydrophobicContact CB-CD1 3.74Å; A369-L377 HydrophobicContact CB-CD2 4.24Å; A369-L377 HydrophobicContact CB-CG 4.42Å; A369-Q399 PolarHBondContact N-O 3.49Å | ||
| 370 | L | 59.3 | Low | 74.5 | Confident | 165 Ų | 165 | 83.3 Ų | 83.3 | 86% | 0.864 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -75.7 | -10.3 | 178 | -77.4 | 161 | 0 | 0 | 0 | 113.7 | ||
| 371 | R | 62.3 | Low | 74.7 | Confident | 184 Ų | 184 | 82.4 Ų | 82.4 | 69% | 0.694 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -132.5 | 145.5 | -174.8 | -87.5 | 174.4 | 165.7 | -158.8 | 1 | 110.8 | A369 L373 | A369-R371 VanDerWaalsContact C-N 3.26Å; A369-R371 PolarHBondContact O-N 3Å; R371-L373 HydrophobicContact CB-CB 4.3Å; R371-L373 HydrophobicContact CB-CD1 3.89Å; R371-L373 HydrophobicContact CB-CG 4.49Å; R371-L373 HydrophobicContact CG-CD1 4.11Å; R371-L373 PolarHBondContact O-N 2.91Å |
| 372 | Q | 54 | Low | 74.4 | Confident | 175 Ų | 175 | 79 Ų | 79 | 82% | 0.818 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -79.1 | 67.8 | 167.2 | -65.2 | -152.2 | -5.4 | 0 | 0 | 110.1 | ||
| 373 | L | 51.4 | Low | 73.6 | Confident | 84 Ų | 84 | 75 Ų | 75 | 44% | 0.44 | 38% | 0.381 | S | S | . | . | trans | -136.6 | 132.4 | -178.1 | -84.2 | 150.9 | 0 | 0 | 0 | 109 | R371 | R371-L373 HydrophobicContact CB-CB 4.3Å; R371-L373 HydrophobicContact CB-CD1 3.89Å; R371-L373 HydrophobicContact CB-CG 4.49Å; R371-L373 HydrophobicContact CG-CD1 4.11Å; R371-L373 PolarHBondContact O-N 2.91Å | ||
| 374 | G | 54.1 | Low | 72.9 | Confident | 24 Ų | 24 | 74.8 Ų | 74.8 | 25% | 0.247 | 39% | 0.391 | C | S | . | . | S | Bend | trans | 84.1 | 126.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | T376 L424 | G374-T376 PolarHBondContact O-N 2.89Å; G374-L424 CarbonylContact C-O 3.36Å; G374-L424 WeakPolarHBondContact CA-O 3.38Å |
| 375 | D | 58.2 | Low | 72.5 | Confident | 104 Ų | 104 | 84.7 Ų | 84.7 | 56% | 0.556 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -59.9 | -14.1 | -171.3 | -75.9 | -47.7 | 0 | 0 | 0 | 116.1 | L424 | D375-L424 PolarHBondContact N-O 2.03Š|
| 376 | T | 69.6 | Low | 72.3 | Confident | 58 Ų | 58 | 89 Ų | 89 | 36% | 0.356 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 130.8 | -179 | 18.3 | 0 | 0 | 0 | 0 | 114.6 | G374 L424 | G374-T376 PolarHBondContact O-N 2.89Å; T376-L424 PolarHBondContact O-N 3.31Å |
| 377 | L | 75.7 | Confident | 72.1 | Confident | 10 Ų | 10 | 80.5 Ų | 80.5 | 5% | 0.052 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 138.9 | 161.1 | -62.6 | 177.3 | 0 | 0 | 0 | 111.3 | A369 F379 R398 Q399 M421 E423 | A369-L377 HydrophobicContact CB-CD1 3.74Å; A369-L377 HydrophobicContact CB-CD2 4.24Å; A369-L377 HydrophobicContact CB-CG 4.42Å; L377-F379 HydrophobicContact CB-CE2 3.71Å; L377-F379 HydrophobicContact CB-CZ 3.83Å; L377-F379 HydrophobicContact CD1-CE2 4.3Å; L377-F379 HydrophobicContact CD1-CZ 3.69Å; L377-F379 HydrophobicContact CG-CZ 4.44Å; L377-R398 PolarHBondContact N-O 2.9Å; L377-R398 VanDerWaalsContact N-O 3.16Å; L377-Q399 VanDerWaalsContact CD1-C 3.43Å; L377-Q399 WeakPolarHBondContact CD1-O 3.42Å; L377-M421 HydrophobicContact CD1-CG 4.42Å; L377-M421 HydrophobicContact CD1-SD 3.89Å; L377-M421 HydrophobicContact CD2-CG 4.09Å; L377-M421 HydrophobicContact CD2-SD 4.15Å; L377-E423 HydrophobicContact CD2-CB 4.23Å; L377-E423 HydrophobicContact CD2-CG 4.48Å |
| 378 | R | 83.5 | Confident | 72.7 | Confident | 168 Ų | 168 | 87.4 Ų | 87.4 | 63% | 0.634 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.3 | 168.8 | -172.6 | 176.3 | -177.4 | 168.3 | 0.7 | 109.5 | M421 S422 L424 | R378-M421 WeakPolarHBondContact O-CA 3.34Å; R378-S422 PolarHBondContact N-O 2.73Å; R378-S422 PolarHBondContact O-N 2.92Å; R378-L424 HydrophobicContact CB-CD1 3.92Å |
| 379 | F | 85.6 | Confident | 73.4 | Confident | 26 Ų | 26 | 92.5 Ų | 92.5 | 11% | 0.114 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 138 | 177.4 | -58.3 | -86.8 | 0 | 0 | 0 | 110.3 | V367 L377 V393 R395 G401 E420 M421 | V367-F379 HydrophobicContact CB-CE1 3.91Å; V367-F379 HydrophobicContact CG1-CE1 3.96Å; L377-F379 HydrophobicContact CB-CE2 3.71Å; L377-F379 HydrophobicContact CB-CZ 3.83Å; L377-F379 HydrophobicContact CD1-CE2 4.3Å; L377-F379 HydrophobicContact CD1-CZ 3.69Å; L377-F379 HydrophobicContact CG-CZ 4.44Å; F379-V393 HydrophobicContact CB-CG1 3.42Å; F379-V393 VanDerWaalsContact CB-CG1 3.42Å; F379-V393 HydrophobicContact CG-CG1 4.2Å; F379-R395 HydrophobicContact CD2-CG 4.36Å; F379-R395 HydrophobicContact CE2-CG 4.36Å; F379-G401 VanDerWaalsContact CE2-CA 3.43Å; F379-E420 CarbonylContact C-O 3.58Å; F379-E420 VanDerWaalsContact CA-O 3.31Å; F379-E420 WeakPolarHBondContact CA-O 3.42Å; F379-M421 HydrophobicContact CD1-CB 4.15Å; F379-M421 HydrophobicContact CD1-CG 4.15Å; F379-M421 HydrophobicContact CE1-CB 4.09Å; F379-M421 HydrophobicContact CE1-CG 3.69Å; F379-M421 HydrophobicContact CE1-SD 3.92Å; F379-M421 HydrophobicContact CZ-CG 4.31Å; F379-M421 HydrophobicContact CZ-SD 4.38Å |
| 380 | T | 88.4 | Confident | 74.4 | Confident | 41 Ų | 41 | 92.3 Ų | 92.3 | 25% | 0.252 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 139.7 | 173.7 | 60.8 | 0 | 0 | 0 | 0 | 110.5 | L382 E420 | T380-L382 PolarHBondContact O-N 3.3Å; T380-E420 PolarHBondContact N-O 3.3Å; T380-E420 PolarHBondContact O-N 2.82Å; T380-E420 WeakPolarHBondContact OG1-CB 3.46Å |
| 381 | L | 90 | Very high | 76 | Confident | 17 Ų | 17 | 84.8 Ų | 84.8 | 9% | 0.089 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 109 | 171.8 | -171.1 | 67.2 | 0 | 0 | 0 | 108.7 | R388 F391 V393 L403 A417 V419 | L381-R388 HydrophobicContact CD2-CG 4.07Å; L381-R388 PolarHBondContact O-NH2 2.74Å; L381-R388 VanDerWaalsContact O-NH2 3.08Å; L381-F391 HydrophobicContact CD1-CB 4.41Å; L381-F391 HydrophobicContact CD2-CB 3.95Å; L381-F391 WeakPolarHBondContact CD2-O 3.4Å; L381-V393 HydrophobicContact CB-CG2 3.9Å; L381-V393 HydrophobicContact CD1-CG2 4.07Å; L381-L403 HydrophobicContact CD1-CD1 3.92Å; L381-A417 HydrophobicContact CD1-CB 4.16Å; L381-V419 HydrophobicContact CD1-CG2 4.19Å |
| 382 | L | 83.7 | Confident | 77.4 | Confident | 39 Ų | 39 | 78.8 Ų | 78.8 | 20% | 0.204 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 133.5 | 168.2 | -55.9 | -173.4 | 0 | 0 | 0 | 108.3 | T380 E418 E420 I434 | T380-L382 PolarHBondContact O-N 3.3Å; L382-E418 CarbonylContact C-O 3.31Å; L382-E418 WeakPolarHBondContact CA-O 3.33Å; L382-E418 HydrophobicContact CB-CB 3.75Å; L382-E418 WeakPolarHBondContact CB-O 3.36Å; L382-E418 PolarHBondContact N-O 3.19Å; L382-E418 WeakPolarHBondContact O-CB 3.25Å; L382-E418 PolarHBondContact O-N 3.19Å; L382-E420 HydrophobicContact CD1-CB 3.59Å; L382-E420 HydrophobicContact CD2-CB 4.15Å; L382-E420 HydrophobicContact CG-CB 3.68Å; L382-I434 HydrophobicContact CD1-CD1 3.93Å; L382-I434 HydrophobicContact CD1-CG1 4.26Å |
| 383 | G | 71.9 | Confident | 79 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 143.9 | 161.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 384 | G | 73.6 | Confident | 80.6 | Confident | 52 Ų | 52 | 72.8 Ų | 72.8 | 54% | 0.536 | 36% | 0.359 | S | S | . | . | trans | -71.3 | -176.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q386 A387 R388 | G384-Q386 PolarHBondContact O-N 2.81Å; G384-Q386 VanDerWaalsContact O-N 3.09Å; G384-A387 PolarHBondContact O-N 3.04Å; G384-R388 PolarHBondContact O-N 3.03Å | ||
| 385 | R | 78.3 | Confident | 81.9 | Confident | 240 Ų | 240 | 77.5 Ų | 77.5 | 91% | 0.906 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -54.2 | -31.3 | -179.3 | -69.5 | -177.2 | 178.7 | -179.6 | -0.3 | 113.2 | R389 | R385-R389 PolarHBondContact O-N 3.09Å; R385-R389 VanDerWaalsContact O-N 3.12Å |
| 386 | Q | 78.9 | Confident | 82.9 | Confident | 127 Ų | 127 | 75.1 Ų | 75.1 | 59% | 0.593 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68.5 | -45.2 | -179.1 | -168.8 | 171.7 | -5.4 | 0 | 0 | 112.9 | G384 R388 R389 H390 | G384-Q386 PolarHBondContact O-N 2.81Å; G384-Q386 VanDerWaalsContact O-N 3.09Å; Q386-R388 VanDerWaalsContact C-N 3.35Å; Q386-R388 PolarHBondContact O-N 2.86Å; Q386-R389 WeakPolarHBondContact O-CB 3.47Å; Q386-R389 PolarHBondContact O-N 2.91Å; Q386-H390 PolarHBondContact O-CD2 3.41Å |
| 387 | A | 81.8 | Confident | 83.2 | Confident | 9 Ų | 9 | 76 Ų | 76 | 7% | 0.074 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.3 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G384 R389 H390 F391 | G384-A387 PolarHBondContact O-N 3.04Å; A387-R389 PolarHBondContact O-N 2.89Å; A387-H390 PolarHBondContact O-N 3.34Å; A387-F391 WeakPolarHBondContact O-CB 3.07Å; A387-F391 WeakPolarHBondContact O-CD2 3.38Å; A387-F391 PolarHBondContact O-N 2.97Å |
| 388 | R | 85.9 | Confident | 83.1 | Confident | 167 Ų | 167 | 83.2 Ų | 83.2 | 63% | 0.63 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -70 | -16.5 | 179.3 | -66.8 | 179.2 | 178.1 | -121.6 | -8 | 114.3 | L381 G384 Q386 | L381-R388 HydrophobicContact CD2-CG 4.07Å; L381-R388 PolarHBondContact O-NH2 2.74Å; L381-R388 VanDerWaalsContact O-NH2 3.08Å; G384-R388 PolarHBondContact O-N 3.03Å; Q386-R388 VanDerWaalsContact C-N 3.35Å; Q386-R388 PolarHBondContact O-N 2.86Å |
| 389 | R | 87.6 | Confident | 82.6 | Confident | 184 Ų | 184 | 78.8 Ų | 78.8 | 69% | 0.694 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -74.4 | -36.4 | 174.2 | -176.3 | -178.7 | -179 | -174.8 | -0 | 111.8 | R385 Q386 A387 S407 | R385-R389 PolarHBondContact O-N 3.09Å; R385-R389 VanDerWaalsContact O-N 3.12Å; Q386-R389 WeakPolarHBondContact O-CB 3.47Å; Q386-R389 PolarHBondContact O-N 2.91Å; A387-R389 PolarHBondContact O-N 2.89Å; R389-S407 PolarHBondContact O-OG 2.86Å |
| 390 | H | 88.7 | Confident | 82.3 | Confident | 21 Ų | 21 | 79.2 Ų | 79.2 | 10% | 0.097 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -105 | -26.1 | -172.7 | -64.9 | -67 | 0 | 0 | 0 | 113.1 | Q386 A387 L405 V406 S407 V409 L415 | Q386-H390 PolarHBondContact O-CD2 3.41Å; A387-H390 PolarHBondContact O-N 3.34Å; H390-L405 HydrophobicContact CB-CD1 4.24Å; H390-L405 CarbonylContact O-C 3.59Å; H390-L405 WeakPolarHBondContact O-CA 3.34Å; H390-L405 WeakPolarHBondContact O-CD1 3.48Å; H390-V406 WeakPolarHBondContact O-CG2 3.47Å; H390-V406 PolarHBondContact O-N 3.3Å; H390-S407 WeakPolarHBondContact CA-OG 3.28Å; H390-S407 PolarHBondContact ND1-OG 3.11Å; H390-V409 HydrophobicContact CB-CG2 4.41Å; H390-L415 HydrophobicContact CB-CD1 4.15Å |
| 391 | F | 92.2 | Very high | 82 | Confident | 8 Ų | 8 | 77.3 Ų | 77.3 | 4% | 0.035 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 145.1 | -174.5 | -53.9 | -74.8 | 0 | 0 | 0 | 112.9 | L381 A387 L403 M404 L405 L415 A417 M439 | L381-F391 HydrophobicContact CD1-CB 4.41Å; L381-F391 HydrophobicContact CD2-CB 3.95Å; L381-F391 WeakPolarHBondContact CD2-O 3.4Å; A387-F391 WeakPolarHBondContact O-CB 3.07Å; A387-F391 WeakPolarHBondContact O-CD2 3.38Å; A387-F391 PolarHBondContact O-N 2.97Å; F391-L403 HydrophobicContact CB-CD1 3.81Å; F391-L403 HydrophobicContact CB-CG 4.49Å; F391-L403 HydrophobicContact CD1-CD1 4.42Å; F391-L403 HydrophobicContact CD1-CD2 4.24Å; F391-L403 HydrophobicContact CD1-CG 4.21Å; F391-L403 HydrophobicContact CG-CD1 4.35Å; F391-M404 CarbonylContact C-O 3.46Å; F391-M404 VanDerWaalsContact CA-O 3.29Å; F391-M404 WeakPolarHBondContact CA-O 3.16Å; F391-L405 HydrophobicContact CD1-CD1 4.08Å; F391-L405 HydrophobicContact CE1-CD1 3.67Å; F391-L405 HydrophobicContact CZ-CD1 4.25Å; F391-L415 HydrophobicContact CE2-CB 4.08Å; F391-L415 HydrophobicContact CE2-CD1 4.12Å; F391-L415 HydrophobicContact CZ-CB 4.21Å; F391-L415 HydrophobicContact CZ-CD1 4.09Å; F391-A417 HydrophobicContact CD2-CB 3.88Å; F391-A417 HydrophobicContact CE2-CB 4.12Å; F391-A417 HydrophobicContact CG-CB 4.29Å; F391-M439 HydrophobicContact CE1-CE 4.26Å; F391-M439 HydrophobicContact CZ-CE 3.77Å; F391-M439 HydrophobicContact CZ-SD 4.45Å |
| 392 | T | 91.6 | Very high | 81.9 | Confident | 58 Ų | 58 | 78 Ų | 78 | 36% | 0.356 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 156.8 | 162.4 | -166 | 0 | 0 | 0 | 0 | 109.4 | M404 V406 | T392-M404 HydrophobicContact CG2-CB 4.02Å; T392-M404 HydrophobicContact CG2-CE 3.96Å; T392-M404 PolarHBondContact N-O 2.89Å; T392-M404 PolarHBondContact O-N 2.85Å; T392-V406 HydrophobicContact CG2-CG1 3.34Å |
| 393 | V | 89.4 | Confident | 82.2 | Confident | 28 Ų | 28 | 76.2 Ų | 76.2 | 17% | 0.17 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 123.8 | 174.4 | -175.3 | 0 | 0 | 0 | 0 | 108.5 | F379 L381 Q402 L403 V419 | F379-V393 HydrophobicContact CB-CG1 3.42Å; F379-V393 VanDerWaalsContact CB-CG1 3.42Å; F379-V393 HydrophobicContact CG-CG1 4.2Å; L381-V393 HydrophobicContact CB-CG2 3.9Å; L381-V393 HydrophobicContact CD1-CG2 4.07Å; V393-Q402 CarbonylContact C-O 3.6Å; V393-Q402 WeakPolarHBondContact CA-O 3.25Å; V393-L403 HydrophobicContact CG2-CD1 3.52Å; V393-V419 HydrophobicContact CG1-CG1 4.38Å; V393-V419 HydrophobicContact CG2-CG1 4.19Å; V393-V419 HydrophobicContact CG2-CG2 4.07Å |
| 394 | Q | 85.1 | Confident | 83.1 | Confident | 105 Ų | 105 | 75.7 Ų | 75.7 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140 | 178.4 | -174.4 | 173.1 | 1.3 | 0 | 0 | 109.8 | G401 Q402 M404 | Q394-G401 CarbonylContact O-C 3.49Å; Q394-G401 WeakPolarHBondContact O-CA 3.34Å; Q394-Q402 PolarHBondContact N-O 3.03Å; Q394-Q402 PolarHBondContact O-N 3.5Å; Q394-M404 HydrophobicContact CB-CE 4.44Å |
| 395 | R | 81.2 | Confident | 83.9 | Confident | 122 Ų | 122 | 73.2 Ų | 73.2 | 46% | 0.46 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 126.7 | 170.5 | -166 | -179 | 85.5 | 145 | 4.4 | 109.6 | F379 D397 | F379-R395 HydrophobicContact CD2-CG 4.36Å; F379-R395 HydrophobicContact CE2-CG 4.36Å; R395-D397 VanDerWaalsContact CD-O 3.22Å; R395-D397 WeakPolarHBondContact CD-O 3.38Å; R395-D397 WeakPolarHBondContact CG-O 3.44Å; R395-D397 PolarHBondContact NE-O 3.14Å |
| 396 | S | 79.2 | Confident | 84.5 | Confident | 54 Ų | 54 | 64.8 Ų | 64.8 | 38% | 0.378 | 30% | 0.299 | S | S | . | . | trans | -93.2 | -44.7 | 178.4 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | T400 Q402 | S396-T400 WeakPolarHBondContact CB-OG1 3.47Å; S396-T400 PolarHBondContact N-O 3.25Å; S396-Q402 WeakPolarHBondContact OG-CG 3.08Å; S396-Q402 PolarHBondContact OG-NE2 3.43Å; S396-Q402 PolarHBondContact OG-OE1 3.07Å | ||
| 397 | D | 75.9 | Confident | 85 | Confident | 76 Ų | 76 | 60 Ų | 60 | 41% | 0.406 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -144.8 | -163.9 | 172.3 | 65.8 | 43.3 | 0 | 0 | 0 | 111.1 | R395 Q399 T400 | R395-D397 VanDerWaalsContact CD-O 3.22Å; R395-D397 WeakPolarHBondContact CD-O 3.38Å; R395-D397 WeakPolarHBondContact CG-O 3.44Å; R395-D397 PolarHBondContact NE-O 3.14Å; D397-Q399 VanDerWaalsContact C-N 3.25Å; D397-Q399 PolarHBondContact O-N 3.05Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.29Å; D397-Q399 PolarHBondContact OD1-N 3.41Å; D397-T400 PolarHBondContact N-O 3.4Å; D397-T400 PolarHBondContact N-OG1 2.91Å; D397-T400 PolarHBondContact OD1-N 2.72Å; D397-T400 PolarHBondContact OD1-OG1 3.42Å; D397-T400 WeakPolarHBondContact OD2-CG2 3.39Å; D397-T400 PolarHBondContact OD2-OG1 3.27Å |
| 398 | R | 72.4 | Confident | 85.3 | Confident | 162 Ų | 162 | 63 Ų | 63 | 61% | 0.611 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -68.3 | -23.6 | -179.7 | -68 | -167.6 | 179.1 | -174.8 | 0 | 114 | L377 | L377-R398 PolarHBondContact N-O 2.9Å; L377-R398 VanDerWaalsContact N-O 3.16Å |
| 399 | Q | 73.3 | Confident | 85.4 | Confident | 75 Ų | 75 | 55.4 Ų | 55.4 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -121.8 | -4 | -171.8 | -65.1 | -178.5 | -4.5 | 0 | 0 | 113.4 | S368 A369 L377 D397 | S368-Q399 WeakPolarHBondContact CA-O 3.43Å; A369-Q399 PolarHBondContact N-O 3.49Å; L377-Q399 VanDerWaalsContact CD1-C 3.43Å; L377-Q399 WeakPolarHBondContact CD1-O 3.42Å; D397-Q399 VanDerWaalsContact C-N 3.25Å; D397-Q399 PolarHBondContact O-N 3.05Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.29Å; D397-Q399 PolarHBondContact OD1-N 3.41Å |
| 400 | T | 78.6 | Confident | 85.4 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 139.5 | -178.3 | 71 | 0 | 0 | 0 | 0 | 112.7 | V367 S396 D397 | V367-T400 CarbonylContact O-C 3.56Å; V367-T400 VanDerWaalsContact O-CA 3.25Å; V367-T400 WeakPolarHBondContact O-CA 3.43Å; S396-T400 WeakPolarHBondContact CB-OG1 3.47Å; S396-T400 PolarHBondContact N-O 3.25Å; D397-T400 PolarHBondContact N-O 3.4Å; D397-T400 PolarHBondContact N-OG1 2.91Å; D397-T400 PolarHBondContact OD1-N 2.72Å; D397-T400 PolarHBondContact OD1-OG1 3.42Å; D397-T400 WeakPolarHBondContact OD2-CG2 3.39Å; D397-T400 PolarHBondContact OD2-OG1 3.27Å |
| 401 | G | 82.5 | Confident | 85.4 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 154.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | R366 V367 F379 Q394 | R366-G401 CarbonylContact C-O 3.59Å; R366-G401 WeakPolarHBondContact CA-O 3.37Å; V367-G401 PolarHBondContact N-O 3.31Å; V367-G401 PolarHBondContact O-N 3.1Å; F379-G401 VanDerWaalsContact CE2-CA 3.43Å; Q394-G401 CarbonylContact O-C 3.49Å; Q394-G401 WeakPolarHBondContact O-CA 3.34Å |
| 402 | Q | 88.8 | Confident | 85.4 | Confident | 32 Ų | 32 | 58 Ų | 58 | 15% | 0.15 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125.9 | 178.6 | -79.8 | 174.3 | 16.3 | 0 | 0 | 109.9 | V363 F365 R366 V393 Q394 S396 M404 | V363-Q402 HydrophobicContact CG1-CB 4.1Å; V363-Q402 HydrophobicContact CG1-CG 3.78Å; V363-Q402 VanDerWaalsContact CG2-OE1 3.27Å; F365-Q402 CarbonylContact O-C 3.48Å; F365-Q402 VanDerWaalsContact O-CA 3.23Å; F365-Q402 WeakPolarHBondContact O-CA 3.36Å; R366-Q402 HydrophobicContact CG-CG 3.71Å; V393-Q402 CarbonylContact C-O 3.6Å; V393-Q402 WeakPolarHBondContact CA-O 3.25Å; Q394-Q402 PolarHBondContact N-O 3.03Å; Q394-Q402 PolarHBondContact O-N 3.5Å; S396-Q402 WeakPolarHBondContact OG-CG 3.08Å; S396-Q402 PolarHBondContact OG-NE2 3.43Å; S396-Q402 PolarHBondContact OG-OE1 3.07Å; Q402-M404 HydrophobicContact CB-CG 4.39Å |
| 403 | L | 89.5 | Confident | 85.4 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 118.3 | 162.8 | -175.8 | 70.6 | 0 | 0 | 0 | 107.2 | M364 F365 L381 F391 V393 A417 V419 I437 | M364-L403 PolarHBondContact N-O 3.22Å; F365-L403 HydrophobicContact CB-CB 4.05Å; F365-L403 HydrophobicContact CD2-CD2 4.02Å; F365-L403 PolarHBondContact N-O 3.13Å; F365-L403 PolarHBondContact O-N 3.02Å; L381-L403 HydrophobicContact CD1-CD1 3.92Å; F391-L403 HydrophobicContact CB-CD1 3.81Å; F391-L403 HydrophobicContact CB-CG 4.49Å; F391-L403 HydrophobicContact CD1-CD1 4.42Å; F391-L403 HydrophobicContact CD1-CD2 4.24Å; F391-L403 HydrophobicContact CD1-CG 4.21Å; F391-L403 HydrophobicContact CG-CD1 4.35Å; V393-L403 HydrophobicContact CG2-CD1 3.52Å; L403-A417 HydrophobicContact CD2-CB 4.21Å; L403-V419 HydrophobicContact CD1-CG2 3.87Å; L403-V419 HydrophobicContact CD2-CG2 4.33Å; L403-I437 HydrophobicContact CD2-CD1 3.55Å |
| 404 | M | 90.3 | Very high | 85.5 | Confident | 31 Ų | 31 | 59.6 Ų | 59.6 | 15% | 0.153 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.6 | 178.1 | -57.6 | -157.2 | -57.1 | 0 | 0 | 110.8 | R362 V363 F391 T392 Q394 Q402 | R362-M404 CarbonylContact O-C 3.58Å; R362-M404 VanDerWaalsContact O-CA 3.29Å; R362-M404 WeakPolarHBondContact O-CA 3.06Å; V363-M404 HydrophobicContact CG2-CG 4.21Å; V363-M404 HydrophobicContact CG2-SD 4.17Å; F391-M404 CarbonylContact C-O 3.46Å; F391-M404 VanDerWaalsContact CA-O 3.29Å; F391-M404 WeakPolarHBondContact CA-O 3.16Å; T392-M404 HydrophobicContact CG2-CB 4.02Å; T392-M404 HydrophobicContact CG2-CE 3.96Å; T392-M404 PolarHBondContact N-O 2.89Å; T392-M404 PolarHBondContact O-N 2.85Å; Q394-M404 HydrophobicContact CB-CE 4.44Å; Q402-M404 HydrophobicContact CB-CG 4.39Å |
| 405 | L | 90.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 123.8 | 163.1 | -171.2 | 75 | 0 | 0 | 0 | 108.1 | L358 A360 P361 R362 M364 H390 F391 S407 V409 | L358-L405 HydrophobicContact CB-CD2 4.16Å; L358-L405 HydrophobicContact CD2-CD2 4.08Å; A360-L405 HydrophobicContact CB-CD2 4.37Å; A360-L405 HydrophobicContact CB-CG 4.35Å; P361-L405 VanDerWaalsContact CA-O 3.24Å; P361-L405 WeakPolarHBondContact CA-O 3.38Å; R362-L405 PolarHBondContact N-O 2.99Å; R362-L405 PolarHBondContact O-N 3.47Å; M364-L405 HydrophobicContact CG-CB 3.72Å; M364-L405 HydrophobicContact SD-CB 3.99Å; H390-L405 HydrophobicContact CB-CD1 4.24Å; H390-L405 CarbonylContact O-C 3.59Å; H390-L405 WeakPolarHBondContact O-CA 3.34Å; H390-L405 WeakPolarHBondContact O-CD1 3.48Å; F391-L405 HydrophobicContact CD1-CD1 4.08Å; F391-L405 HydrophobicContact CE1-CD1 3.67Å; F391-L405 HydrophobicContact CZ-CD1 4.25Å; L405-S407 WeakPolarHBondContact CG-O 3.37Å; L405-V409 HydrophobicContact CD1-CG2 3.83Å |
| 406 | V | 91.8 | Very high | 86.3 | Confident | 64 Ų | 64 | 55.4 Ų | 55.4 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | trans | -108.5 | -15.4 | -177.1 | -65.5 | 0 | 0 | 0 | 0 | 113.6 | H390 T392 | H390-V406 WeakPolarHBondContact O-CG2 3.47Å; H390-V406 PolarHBondContact O-N 3.3Å; T392-V406 HydrophobicContact CG2-CG1 3.34Å | ||
| 407 | S | 89.1 | Confident | 86.9 | Confident | 27 Ų | 27 | 52.9 Ų | 52.9 | 19% | 0.189 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -137.3 | 144.4 | 174.7 | 58 | 0 | 0 | 0 | 0 | 110.4 | R389 H390 L405 | R389-S407 PolarHBondContact O-OG 2.86Å; H390-S407 WeakPolarHBondContact CA-OG 3.28Å; H390-S407 PolarHBondContact ND1-OG 3.11Å; L405-S407 WeakPolarHBondContact CG-O 3.37Å |
| 408 | P | 87.8 | Confident | 87.6 | Confident | 72 Ų | 72 | 52.1 Ų | 52.1 | 47% | 0.468 | 28% | 0.276 | S | S | . | . | trans | -62.1 | 150.6 | 177.9 | 27.3 | -34.4 | 0 | 0 | 0 | 110.2 | ||||
| 409 | V | 87.6 | Confident | 88.5 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | trans | -122.8 | 121.8 | -179.2 | -172.9 | 0 | 0 | 0 | 0 | 108.2 | N357 H390 L405 T413 L415 M439 V441 | N357-V409 WeakPolarHBondContact CA-O 3.45Å; N357-V409 PolarHBondContact N-O 3.44Å; H390-V409 HydrophobicContact CB-CG2 4.41Å; L405-V409 HydrophobicContact CD1-CG2 3.83Å; V409-T413 HydrophobicContact CG1-CG2 3.58Å; V409-L415 HydrophobicContact CB-CD1 4.18Å; V409-L415 HydrophobicContact CG1-CD1 3.58Å; V409-L415 HydrophobicContact CG1-CG 4.25Å; V409-L415 HydrophobicContact CG2-CD1 3.54Å; V409-M439 HydrophobicContact CG2-CE 4.4Å; V409-V441 HydrophobicContact CB-CG2 4.48Å; V409-V441 HydrophobicContact CG1-CB 4.48Å; V409-V441 HydrophobicContact CG1-CG1 4.29Å; V409-V441 HydrophobicContact CG1-CG2 3.85Å | ||
| 410 | Q | 88.9 | Confident | 89.3 | Confident | 151 Ų | 151 | 42.1 Ų | 42.1 | 71% | 0.706 | 24% | 0.236 | S | C | * | . | trans | -89.8 | 130.3 | 170.8 | -67.2 | -178.7 | -11.1 | 0 | 0 | 108.6 | T413 | Q410-T413 WeakPolarHBondContact O-CG2 3.37Š| ||
| 411 | G | 87.3 | Confident | 89.8 | Confident | 20 Ų | 20 | 41.3 Ų | 41.3 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -92.5 | 179.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S356 S442 | S356-G411 PolarHBondContact OG-N 3.24Å; G411-S442 VanDerWaalsContact CA-O 3.23Å; G411-S442 WeakPolarHBondContact CA-O 3.23Å |
| 412 | P | 92.5 | Very high | 90 | Very high | 96 Ų | 96 | 41.5 Ų | 41.5 | 62% | 0.623 | 23% | 0.231 | S | C | * | . | S | Bend | cis | -76.9 | 124.2 | 0.8 | 30.2 | -32.2 | 0 | 0 | 0 | 111.3 | V441 Q443 | P412-V441 WeakPolarHBondContact CA-O 3.35Å; P412-Q443 HydrophobicContact CB-CB 4.19Å; P412-Q443 HydrophobicContact CG-CB 4.29Å |
| 413 | T | 91.9 | Very high | 89.7 | Confident | 48 Ų | 48 | 41.1 Ų | 41.1 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 154.6 | 176.7 | -166.3 | 0 | 0 | 0 | 0 | 111.4 | V409 Q410 L415 V441 | V409-T413 HydrophobicContact CG1-CG2 3.58Å; Q410-T413 WeakPolarHBondContact O-CG2 3.37Å; T413-L415 HydrophobicContact CG2-CD2 4.5Å; T413-L415 HydrophobicContact CG2-CG 4.29Å; T413-V441 HydrophobicContact CG2-CB 3.96Å; T413-V441 HydrophobicContact CG2-CG2 3.94Å; T413-V441 PolarHBondContact N-O 2.96Å; T413-V441 WeakPolarHBondContact O-CB 3.39Å; T413-V441 PolarHBondContact O-N 2.84Å |
| 414 | T | 92.2 | Very high | 89.2 | Confident | 72 Ų | 72 | 42.9 Ų | 42.9 | 44% | 0.442 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124 | 171.8 | -58.4 | 0 | 0 | 0 | 0 | 108.6 | T438 M439 F440 | T414-T438 HydrophobicContact CG2-CG2 3.55Å; T414-M439 WeakPolarHBondContact CA-O 3.43Å; T414-F440 HydrophobicContact CG2-CD1 3.91Å; T414-F440 HydrophobicContact CG2-CE1 3.92Å |
| 415 | L | 90.8 | Very high | 88.8 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 139.3 | 176.6 | -66.8 | -174.2 | 0 | 0 | 0 | 110.6 | H390 F391 V409 T413 T438 M439 | H390-L415 HydrophobicContact CB-CD1 4.15Å; F391-L415 HydrophobicContact CE2-CB 4.08Å; F391-L415 HydrophobicContact CE2-CD1 4.12Å; F391-L415 HydrophobicContact CZ-CB 4.21Å; F391-L415 HydrophobicContact CZ-CD1 4.09Å; V409-L415 HydrophobicContact CB-CD1 4.18Å; V409-L415 HydrophobicContact CG1-CD1 3.58Å; V409-L415 HydrophobicContact CG1-CG 4.25Å; V409-L415 HydrophobicContact CG2-CD1 3.54Å; T413-L415 HydrophobicContact CG2-CD2 4.5Å; T413-L415 HydrophobicContact CG2-CG 4.29Å; L415-T438 CarbonylContact O-C 3.53Å; L415-T438 WeakPolarHBondContact O-CA 3.23Å; L415-M439 HydrophobicContact CB-CB 4.48Å; L415-M439 HydrophobicContact CB-CE 4.2Å; L415-M439 HydrophobicContact CD1-CE 3.69Å; L415-M439 HydrophobicContact CG-CE 4.35Å; L415-M439 PolarHBondContact N-O 3.46Å; L415-M439 PolarHBondContact O-N 2.81Å |
| 416 | E | 91.5 | Very high | 88.2 | Confident | 132 Ų | 132 | 55.6 Ų | 55.6 | 62% | 0.617 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 137.1 | 176.7 | -61.7 | -172.7 | 157.2 | 0 | 0 | 110.3 | I437 T438 | E416-I437 CarbonylContact C-O 3.57Å; E416-I437 WeakPolarHBondContact CA-O 2.93Å; E416-T438 HydrophobicContact CG-CG2 4.37Å |
| 417 | A | 90.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 132.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | L381 F391 L403 I437 | L381-A417 HydrophobicContact CD1-CB 4.16Å; F391-A417 HydrophobicContact CD2-CB 3.88Å; F391-A417 HydrophobicContact CE2-CB 4.12Å; F391-A417 HydrophobicContact CG-CB 4.29Å; L403-A417 HydrophobicContact CD2-CB 4.21Å; A417-I437 HydrophobicContact CB-CB 4.44Å; A417-I437 PolarHBondContact N-O 2.75Å; A417-I437 PolarHBondContact O-N 3Å |
| 418 | E | 92.1 | Very high | 86.9 | Confident | 60 Ų | 60 | 67.1 Ų | 67.1 | 28% | 0.28 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123 | 171.8 | -62.4 | -169.6 | 163.6 | 0 | 0 | 108.7 | L382 T435 K436 | L382-E418 CarbonylContact C-O 3.31Å; L382-E418 WeakPolarHBondContact CA-O 3.33Å; L382-E418 HydrophobicContact CB-CB 3.75Å; L382-E418 WeakPolarHBondContact CB-O 3.36Å; L382-E418 PolarHBondContact N-O 3.19Å; L382-E418 WeakPolarHBondContact O-CB 3.25Å; L382-E418 PolarHBondContact O-N 3.19Å; E418-T435 CarbonylContact C-O 3.38Å; E418-T435 WeakPolarHBondContact CA-O 3.36Å; E418-K436 HydrophobicContact CG-CD 4.42Å; E418-K436 HydrophobicContact CG-CG 4.12Å; E418-K436 WeakPolarHBondContact OE1-CD 3.45Å; E418-K436 WeakPolarHBondContact OE1-CE 3.22Å; E418-K436 IonicContact OE1-NZ 3.64Å; E418-K436 PolarHBondContact OE1-NZ 2.73Å |
| 419 | V | 90.7 | Very high | 86.5 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 120.7 | 178.3 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | L381 V393 L403 T435 I437 | L381-V419 HydrophobicContact CD1-CG2 4.19Å; V393-V419 HydrophobicContact CG1-CG1 4.38Å; V393-V419 HydrophobicContact CG2-CG1 4.19Å; V393-V419 HydrophobicContact CG2-CG2 4.07Å; L403-V419 HydrophobicContact CD1-CG2 3.87Å; L403-V419 HydrophobicContact CD2-CG2 4.33Å; V419-T435 PolarHBondContact N-O 3.02Å; V419-T435 PolarHBondContact O-N 3.39Å; V419-I437 HydrophobicContact CG2-CD1 4.23Å |
| 420 | E | 90.9 | Very high | 86.1 | Confident | 26 Ų | 26 | 72.1 Ų | 72.1 | 12% | 0.121 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 128.9 | 169.1 | 171.4 | -171.5 | 133.2 | 0 | 0 | 110.1 | F379 T380 L382 S422 R432 Y433 | F379-E420 CarbonylContact C-O 3.58Å; F379-E420 VanDerWaalsContact CA-O 3.31Å; F379-E420 WeakPolarHBondContact CA-O 3.42Å; T380-E420 PolarHBondContact N-O 3.3Å; T380-E420 PolarHBondContact O-N 2.82Å; T380-E420 WeakPolarHBondContact OG1-CB 3.46Å; L382-E420 HydrophobicContact CD1-CB 3.59Å; L382-E420 HydrophobicContact CD2-CB 4.15Å; L382-E420 HydrophobicContact CG-CB 3.68Å; E420-S422 PolarHBondContact OE1-OG 3.49Å; E420-R432 HydrophobicContact CG-CG 3.86Å; E420-R432 IonicContact OE1-NE 2.97Å; E420-R432 IonicContact OE2-CZ 3.72Å; E420-R432 IonicContact OE2-NE 2.92Å; E420-R432 PolarHBondContact OE2-NE 2.77Å; E420-R432 IonicContact OE2-NH2 3.85Å; E420-R432 PolarHBondContact OE2-NH2 3.34Å; E420-Y433 WeakPolarHBondContact CA-O 3.27Å |
| 421 | M | 87.7 | Confident | 85.8 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 118.8 | 168.2 | -178.7 | -177.7 | 75.9 | 0 | 0 | 108.7 | V367 L377 R378 F379 R432 Y433 | V367-M421 HydrophobicContact CG1-SD 3.97Å; L377-M421 HydrophobicContact CD1-CG 4.42Å; L377-M421 HydrophobicContact CD1-SD 3.89Å; L377-M421 HydrophobicContact CD2-CG 4.09Å; L377-M421 HydrophobicContact CD2-SD 4.15Å; R378-M421 WeakPolarHBondContact O-CA 3.34Å; F379-M421 HydrophobicContact CD1-CB 4.15Å; F379-M421 HydrophobicContact CD1-CG 4.15Å; F379-M421 HydrophobicContact CE1-CB 4.09Å; F379-M421 HydrophobicContact CE1-CG 3.69Å; F379-M421 HydrophobicContact CE1-SD 3.92Å; F379-M421 HydrophobicContact CZ-CG 4.31Å; F379-M421 HydrophobicContact CZ-SD 4.38Å; M421-R432 CarbonylContact O-C 3.57Å; M421-Y433 HydrophobicContact CE-CD2 3.35Å; M421-Y433 HydrophobicContact CE-CE2 3.96Å; M421-Y433 HydrophobicContact CE-CG 3.74Å; M421-Y433 PolarHBondContact N-O 3.5Å; M421-Y433 WeakPolarHBondContact O-CD2 3.29Å; M421-Y433 PolarHBondContact O-N 3.39Å |
| 422 | S | 87 | Confident | 85.9 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 3% | 0.028 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 125.5 | 176.8 | -72.1 | 0 | 0 | 0 | 0 | 109.5 | R378 E420 L424 | R378-S422 PolarHBondContact N-O 2.73Å; R378-S422 PolarHBondContact O-N 2.92Å; E420-S422 PolarHBondContact OE1-OG 3.49Å; S422-L424 WeakPolarHBondContact O-CD1 3.41Å |
| 423 | E | 83.5 | Confident | 85.8 | Confident | 25 Ų | 25 | 65.4 Ų | 65.4 | 12% | 0.117 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122.5 | 179.6 | -179.4 | 179.5 | -175 | 0 | 0 | 109 | L377 Q429 L430 G431 Y433 | L377-E423 HydrophobicContact CD2-CB 4.23Å; L377-E423 HydrophobicContact CD2-CG 4.48Å; E423-Q429 CarbonylContact O-C 3.51Å; E423-Q429 WeakPolarHBondContact O-CA 3.12Å; E423-L430 HydrophobicContact CG-CB 4.29Å; E423-L430 HydrophobicContact CG-CD1 4.49Å; E423-L430 PolarHBondContact O-N 3.24Å; E423-G431 PolarHBondContact N-O 3.35Å; E423-Y433 HydrophobicContact CB-CE2 3.98Å; E423-Y433 WeakPolarHBondContact OE2-CE2 3.37Å; E423-Y433 PolarHBondContact OE2-OH 3.48Å |
| 424 | L | 79 | Confident | 85.9 | Confident | 38 Ų | 38 | 63.6 Ų | 63.6 | 20% | 0.199 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.9 | -178.5 | -59.3 | 101.3 | 0 | 0 | 0 | 111.6 | G374 D375 T376 R378 S422 V428 | G374-L424 CarbonylContact C-O 3.36Å; G374-L424 WeakPolarHBondContact CA-O 3.38Å; D375-L424 PolarHBondContact N-O 2.03Å; T376-L424 PolarHBondContact O-N 3.31Å; R378-L424 HydrophobicContact CB-CD1 3.92Å; S422-L424 WeakPolarHBondContact O-CD1 3.41Å; L424-V428 CarbonylContact C-O 3.54Å; L424-V428 VanDerWaalsContact CA-O 3.3Å; L424-V428 WeakPolarHBondContact CA-O 3.16Å |
| 425 | E | 79.9 | Confident | 85.8 | Confident | 83 Ų | 83 | 60.8 Ų | 60.8 | 39% | 0.388 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.7 | 169 | -178.3 | 173.2 | -148.5 | 0 | 0 | 108.8 | R427 V428 L430 | E425-R427 PolarHBondContact O-N 2.03Å; E425-R427 VanDerWaalsContact O-N 3.1Å; E425-V428 PolarHBondContact N-O 3.23Å; E425-V428 WeakPolarHBondContact O-CA 3.43Å; E425-V428 WeakPolarHBondContact O-CB 3.41Å; E425-V428 PolarHBondContact O-N 3.48Å; E425-L430 HydrophobicContact CB-CD1 3.51Å; E425-L430 HydrophobicContact CB-CD2 4.29Å; E425-L430 HydrophobicContact CB-CG 3.86Å |
| 426 | R | 78.7 | Confident | 86 | Confident | 215 Ų | 215 | 63.4 Ų | 63.4 | 81% | 0.811 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 38.7 | -176.8 | -59.1 | -179.2 | 178.5 | -179.3 | 0 | 114 | V428 | R426-V428 PolarHBondContact O-N 2.81Š|
| 427 | R | 74 | Confident | 86 | Confident | 240 Ų | 240 | 57.4 Ų | 57.4 | 91% | 0.906 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 7.1 | -174.9 | -51 | -173.2 | -179.5 | -159.8 | 1.3 | 115.9 | E425 | E425-R427 PolarHBondContact O-N 2.03Å; E425-R427 VanDerWaalsContact O-N 3.1Å |
| 428 | V | 79.6 | Confident | 86.1 | Confident | 94 Ų | 94 | 58.2 Ų | 58.2 | 57% | 0.57 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 129.1 | 170.4 | -177 | 0 | 0 | 0 | 0 | 108.7 | L424 E425 R426 L430 | L424-V428 CarbonylContact C-O 3.54Å; L424-V428 VanDerWaalsContact CA-O 3.3Å; L424-V428 WeakPolarHBondContact CA-O 3.16Å; E425-V428 PolarHBondContact N-O 3.23Å; E425-V428 WeakPolarHBondContact O-CA 3.43Å; E425-V428 WeakPolarHBondContact O-CB 3.41Å; E425-V428 PolarHBondContact O-N 3.48Å; R426-V428 PolarHBondContact O-N 2.81Å; V428-L430 PolarHBondContact O-N 2.83Å |
| 429 | Q | 80.2 | Confident | 86.1 | Confident | 97 Ų | 97 | 55.5 Ų | 55.5 | 45% | 0.453 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 116.4 | 177.3 | -174.3 | 178.4 | -65 | 0 | 0 | 109.8 | E423 | E423-Q429 CarbonylContact O-C 3.51Å; E423-Q429 WeakPolarHBondContact O-CA 3.12Å |
| 430 | L | 79.3 | Confident | 86.3 | Confident | 86 Ų | 86 | 56.8 Ų | 56.8 | 45% | 0.45 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -33.7 | 177.9 | -64.5 | -177.1 | 0 | 0 | 0 | 112.3 | E423 E425 V428 | E423-L430 HydrophobicContact CG-CB 4.29Å; E423-L430 HydrophobicContact CG-CD1 4.49Å; E423-L430 PolarHBondContact O-N 3.24Å; E425-L430 HydrophobicContact CB-CD1 3.51Å; E425-L430 HydrophobicContact CB-CD2 4.29Å; E425-L430 HydrophobicContact CB-CG 3.86Å; V428-L430 PolarHBondContact O-N 2.83Å |
| 431 | G | 82.9 | Confident | 86.4 | Confident | 4 Ų | 4 | 56 Ų | 56 | 4% | 0.041 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 155.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E423 | E423-G431 PolarHBondContact N-O 3.35Å |
| 432 | R | 89 | Confident | 86.7 | Confident | 65 Ų | 65 | 55.5 Ų | 55.5 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 118.5 | 178.8 | -179.3 | -178.4 | 175.6 | -150 | 0.5 | 108.8 | P344 T345 E420 M421 | P344-R432 CarbonylContact C-O 3.59Å; P344-R432 WeakPolarHBondContact CA-O 3.35Å; P344-R432 WeakPolarHBondContact CB-O 3.45Å; T345-R432 PolarHBondContact N-O 2.95Å; T345-R432 PolarHBondContact OG1-O 3.38Å; E420-R432 HydrophobicContact CG-CG 3.86Å; E420-R432 IonicContact OE1-NE 2.97Å; E420-R432 IonicContact OE2-CZ 3.72Å; E420-R432 IonicContact OE2-NE 2.92Å; E420-R432 PolarHBondContact OE2-NE 2.77Å; E420-R432 IonicContact OE2-NH2 3.85Å; E420-R432 PolarHBondContact OE2-NH2 3.34Å; M421-R432 CarbonylContact O-C 3.57Å |
| 433 | Y | 90.3 | Very high | 86.9 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 22% | 0.224 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.5 | -173.1 | -48.9 | -92.5 | 0 | 0 | 0 | 108.7 | T345 S346 E420 M421 E423 | T345-Y433 WeakPolarHBondContact OG1-CD1 3.46Å; T345-Y433 WeakPolarHBondContact OG1-CE1 3.33Å; S346-Y433 WeakPolarHBondContact OG-CD1 3.31Å; E420-Y433 WeakPolarHBondContact CA-O 3.27Å; M421-Y433 HydrophobicContact CE-CD2 3.35Å; M421-Y433 HydrophobicContact CE-CE2 3.96Å; M421-Y433 HydrophobicContact CE-CG 3.74Å; M421-Y433 PolarHBondContact N-O 3.5Å; M421-Y433 WeakPolarHBondContact O-CD2 3.29Å; M421-Y433 PolarHBondContact O-N 3.39Å; E423-Y433 HydrophobicContact CB-CE2 3.98Å; E423-Y433 WeakPolarHBondContact OE2-CE2 3.37Å; E423-Y433 PolarHBondContact OE2-OH 3.48Å |
| 434 | I | 92.9 | Very high | 87.3 | Confident | 10 Ų | 10 | 62.3 Ų | 62.3 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.3 | 179.3 | -64.3 | -175.8 | 0 | 0 | 0 | 109.1 | P344 S346 F347 S348 L382 K436 | P344-I434 HydrophobicContact CB-CD1 4.04Å; P344-I434 HydrophobicContact CB-CG1 4.07Å; P344-I434 HydrophobicContact CG-CD1 3.43Å; P344-I434 VanDerWaalsContact CG-CD1 3.43Å; P344-I434 HydrophobicContact CG-CG1 3.99Å; S346-I434 PolarHBondContact O-N 3.18Å; F347-I434 CarbonylContact C-O 3.6Å; F347-I434 VanDerWaalsContact CA-O 3.25Å; F347-I434 WeakPolarHBondContact CA-O 3.5Å; F347-I434 HydrophobicContact CD1-CB 3.69Å; F347-I434 HydrophobicContact CD1-CD1 4.42Å; F347-I434 HydrophobicContact CD1-CG2 3.78Å; F347-I434 HydrophobicContact CE1-CB 3.78Å; F347-I434 HydrophobicContact CE1-CD1 3.61Å; F347-I434 HydrophobicContact CE1-CG1 4.17Å; F347-I434 HydrophobicContact CE1-CG2 3.89Å; F347-I434 HydrophobicContact CG-CB 4.44Å; F347-I434 HydrophobicContact CZ-CD1 3.94Å; S348-I434 PolarHBondContact N-O 3.47Å; L382-I434 HydrophobicContact CD1-CD1 3.93Å; L382-I434 HydrophobicContact CD1-CG1 4.26Å; I434-K436 HydrophobicContact CG2-CG 4.29Å |
| 435 | T | 91.7 | Very high | 87.7 | Confident | 14 Ų | 14 | 66.3 Ų | 66.3 | 9% | 0.086 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 113.9 | 174.5 | -54.2 | 0 | 0 | 0 | 0 | 108 | S348 H350 E418 V419 I437 | S348-T435 CarbonylContact O-C 3.59Å; S348-T435 WeakPolarHBondContact O-CA 3.23Å; S348-T435 PolarHBondContact OG-OG1 3.49Å; H350-T435 VanDerWaalsContact CD2-CG2 3.43Å; H350-T435 WeakPolarHBondContact CD2-CG2 3.5Å; E418-T435 CarbonylContact C-O 3.38Å; E418-T435 WeakPolarHBondContact CA-O 3.36Å; V419-T435 PolarHBondContact N-O 3.02Å; V419-T435 PolarHBondContact O-N 3.39Å; T435-I437 HydrophobicContact CG2-CD1 4.1Å; T435-I437 HydrophobicContact CG2-CG1 3.97Å |
| 436 | K | 93.3 | Very high | 87.8 | Confident | 61 Ų | 61 | 65.9 Ų | 65.9 | 27% | 0.265 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 125.4 | 172.4 | -56.9 | -157.2 | -178.8 | -146.2 | 0 | 109.1 | S348 Y349 H350 E418 I434 | S348-K436 PolarHBondContact O-N 2.92Å; Y349-K436 CarbonylContact C-O 3.57Å; Y349-K436 WeakPolarHBondContact CA-O 3.44Å; Y349-K436 HydrophobicContact CD1-CB 4.15Å; Y349-K436 HydrophobicContact CD1-CD 4.23Å; Y349-K436 HydrophobicContact CE1-CD 3.82Å; Y349-K436 HydrophobicContact CE1-CG 4.43Å; H350-K436 PolarHBondContact N-O 3.36Å; E418-K436 HydrophobicContact CG-CD 4.42Å; E418-K436 HydrophobicContact CG-CG 4.12Å; E418-K436 WeakPolarHBondContact OE1-CD 3.45Å; E418-K436 WeakPolarHBondContact OE1-CE 3.22Å; E418-K436 IonicContact OE1-NZ 3.64Å; E418-K436 PolarHBondContact OE1-NZ 2.73Å; I434-K436 HydrophobicContact CG2-CG 4.29Å |
| 437 | I | 92.3 | Very high | 88.3 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 119.9 | -177.7 | -67.9 | 159.6 | 0 | 0 | 0 | 107.3 | H350 F365 L403 E416 A417 V419 T435 | H350-I437 HydrophobicContact CB-CG1 4.22Å; H350-I437 CarbonylContact O-C 3.53Å; H350-I437 WeakPolarHBondContact O-CA 3.43Å; F365-I437 HydrophobicContact CB-CD1 4.5Å; F365-I437 HydrophobicContact CD1-CD1 4.29Å; F365-I437 HydrophobicContact CD2-CD1 3.7Å; F365-I437 HydrophobicContact CD2-CG1 4.33Å; F365-I437 HydrophobicContact CD2-CG2 4.12Å; F365-I437 HydrophobicContact CE1-CD1 4.41Å; F365-I437 HydrophobicContact CE1-CG1 4.32Å; F365-I437 HydrophobicContact CE2-CB 4.2Å; F365-I437 HydrophobicContact CE2-CD1 3.81Å; F365-I437 HydrophobicContact CE2-CG1 3.92Å; F365-I437 HydrophobicContact CE2-CG2 3.23Å; F365-I437 HydrophobicContact CG-CD1 3.92Å; F365-I437 HydrophobicContact CZ-CB 4.39Å; F365-I437 HydrophobicContact CZ-CD1 4.16Å; F365-I437 HydrophobicContact CZ-CG1 3.91Å; F365-I437 HydrophobicContact CZ-CG2 3.62Å; L403-I437 HydrophobicContact CD2-CD1 3.55Å; E416-I437 CarbonylContact C-O 3.57Å; E416-I437 WeakPolarHBondContact CA-O 2.93Å; A417-I437 HydrophobicContact CB-CB 4.44Å; A417-I437 PolarHBondContact N-O 2.75Å; A417-I437 PolarHBondContact O-N 3Å; V419-I437 HydrophobicContact CG2-CD1 4.23Å; T435-I437 HydrophobicContact CG2-CD1 4.1Å; T435-I437 HydrophobicContact CG2-CG1 3.97Å |
| 438 | T | 93.2 | Very high | 89 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.2 | 173.6 | -56.9 | 0 | 0 | 0 | 0 | 108.3 | H350 Y351 L352 T414 L415 E416 F440 | H350-T438 PolarHBondContact O-N 2.88Å; Y351-T438 CarbonylContact C-O 3.52Å; Y351-T438 VanDerWaalsContact CA-O 3.27Å; Y351-T438 WeakPolarHBondContact CA-O 3.49Å; Y351-T438 HydrophobicContact CD1-CG2 4.18Å; L352-T438 PolarHBondContact N-O 3.1Å; T414-T438 HydrophobicContact CG2-CG2 3.55Å; L415-T438 CarbonylContact O-C 3.53Å; L415-T438 WeakPolarHBondContact O-CA 3.23Å; E416-T438 HydrophobicContact CG-CG2 4.37Å; T438-F440 HydrophobicContact CG2-CD1 4.49Å; T438-F440 HydrophobicContact CG2-CE1 3.84Å; T438-F440 HydrophobicContact CG2-CE2 4.41Å; T438-F440 HydrophobicContact CG2-CZ 3.81Å |
| 439 | M | 91.8 | Very high | 89.5 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.02 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 118.5 | -178 | -175.1 | 173.4 | 75.6 | 0 | 0 | 109.5 | L352 V354 M364 F391 V409 T414 L415 V441 | L352-M439 HydrophobicContact CB-CG 4.44Å; L352-M439 CarbonylContact O-C 3.54Å; L352-M439 WeakPolarHBondContact O-CA 3.05Å; V354-M439 HydrophobicContact CG1-CG 4.12Å; V354-M439 HydrophobicContact CG1-SD 4Å; V354-M439 HydrophobicContact CG2-CE 4.24Å; V354-M439 HydrophobicContact CG2-CG 3.62Å; V354-M439 HydrophobicContact CG2-SD 3.68Å; M364-M439 HydrophobicContact CE-SD 3.49Å; M364-M439 WeakPolarHBondContact CE-SD 3.04Å; F391-M439 HydrophobicContact CE1-CE 4.26Å; F391-M439 HydrophobicContact CZ-CE 3.77Å; F391-M439 HydrophobicContact CZ-SD 4.45Å; V409-M439 HydrophobicContact CG2-CE 4.4Å; T414-M439 WeakPolarHBondContact CA-O 3.43Å; L415-M439 HydrophobicContact CB-CB 4.48Å; L415-M439 HydrophobicContact CB-CE 4.2Å; L415-M439 HydrophobicContact CD1-CE 3.69Å; L415-M439 HydrophobicContact CG-CE 4.35Å; L415-M439 PolarHBondContact N-O 3.46Å; L415-M439 PolarHBondContact O-N 2.81Å; M439-V441 HydrophobicContact CE-CG2 3.81Å; M439-V441 HydrophobicContact CG-CG2 4.3Å |
| 440 | F | 94.4 | Very high | 90.1 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 12% | 0.118 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 110.5 | 174.3 | -54.1 | -66.8 | 0 | 0 | 0 | 108.6 | V299 T301 Q306 V308 Y351 L352 A353 V354 T414 T438 | V299-F440 HydrophobicContact CB-CE2 4.48Å; V299-F440 HydrophobicContact CG1-CD2 4.31Å; V299-F440 HydrophobicContact CG1-CE2 4.01Å; T301-F440 HydrophobicContact CG2-CB 3.77Å; T301-F440 HydrophobicContact CG2-CD2 3.58Å; T301-F440 HydrophobicContact CG2-CE2 4.33Å; T301-F440 HydrophobicContact CG2-CG 3.78Å; Q306-F440 HydrophobicContact CB-CE1 4.43Å; Q306-F440 HydrophobicContact CB-CE2 4.28Å; Q306-F440 HydrophobicContact CB-CZ 4.03Å; Q306-F440 HydrophobicContact CG-CD1 4.28Å; Q306-F440 HydrophobicContact CG-CE1 4.01Å; Q306-F440 HydrophobicContact CG-CE2 4.47Å; Q306-F440 HydrophobicContact CG-CZ 4.11Å; V308-F440 HydrophobicContact CG1-CZ 4.27Å; Y351-F440 AromaticContact CD1-CE2 3.93Å; Y351-F440 HydrophobicContact CD1-CE2 3.93Å; Y351-F440 AromaticContact CD1-CZ 4Å; Y351-F440 HydrophobicContact CD1-CZ 4Å; Y351-F440 HydrophobicContact CG-CE2 4.42Å; L352-F440 WeakPolarHBondContact O-CD2 3Å; L352-F440 PolarHBondContact O-N 3.38Å; A353-F440 WeakPolarHBondContact CA-O 3.09Å; V354-F440 PolarHBondContact N-O 3.29Å; T414-F440 HydrophobicContact CG2-CD1 3.91Å; T414-F440 HydrophobicContact CG2-CE1 3.92Å; T438-F440 HydrophobicContact CG2-CD1 4.49Å; T438-F440 HydrophobicContact CG2-CE1 3.84Å; T438-F440 HydrophobicContact CG2-CE2 4.41Å; T438-F440 HydrophobicContact CG2-CZ 3.81Å |
| 441 | V | 93.4 | Very high | 90.8 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 6% | 0.055 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.1 | 179.1 | -170.5 | 0 | 0 | 0 | 0 | 108.4 | V354 V409 P412 T413 M439 | V354-V441 HydrophobicContact CG2-CB 4.21Å; V354-V441 HydrophobicContact CG2-CG1 4.24Å; V354-V441 HydrophobicContact CG2-CG2 3.78Å; V354-V441 WeakPolarHBondContact O-CA 3.02Å; V409-V441 HydrophobicContact CB-CG2 4.48Å; V409-V441 HydrophobicContact CG1-CB 4.48Å; V409-V441 HydrophobicContact CG1-CG1 4.29Å; V409-V441 HydrophobicContact CG1-CG2 3.85Å; P412-V441 WeakPolarHBondContact CA-O 3.35Å; T413-V441 HydrophobicContact CG2-CB 3.96Å; T413-V441 HydrophobicContact CG2-CG2 3.94Å; T413-V441 PolarHBondContact N-O 2.96Å; T413-V441 WeakPolarHBondContact O-CB 3.39Å; T413-V441 PolarHBondContact O-N 2.84Å; M439-V441 HydrophobicContact CE-CG2 3.81Å; M439-V441 HydrophobicContact CG-CG2 4.3Å |
| 442 | S | 93.8 | Very high | 91.3 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | trans | -61.6 | 156.9 | 177.7 | -165.4 | 0 | 0 | 0 | 0 | 111.9 | Y270 Y302 V354 S356 G411 Y444 | Y270-S442 PolarHBondContact OH-OG 2.79Å; Y302-S442 PolarHBondContact O-OG 3.11Å; Y302-S442 VanDerWaalsContact O-OG 3.14Å; V354-S442 PolarHBondContact O-N 3.36Å; S356-S442 VanDerWaalsContact CB-O 3.31Å; S356-S442 WeakPolarHBondContact CB-O 3.12Å; G411-S442 VanDerWaalsContact CA-O 3.23Å; G411-S442 WeakPolarHBondContact CA-O 3.23Å; S442-Y444 PolarHBondContact OG-N 2.95Å | ||
| 443 | Q | 92.5 | Very high | 91.4 | Very high | 116 Ų | 116 | 41.6 Ų | 41.6 | 54% | 0.542 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -67 | -28.6 | 166 | 179.4 | 172.7 | -5.5 | 0 | 0 | 112.3 | P412 | P412-Q443 HydrophobicContact CB-CB 4.19Å; P412-Q443 HydrophobicContact CG-CB 4.29Å |
| 444 | Y | 90.4 | Very high | 91.5 | Very high | 55 Ų | 55 | 40.4 Ų | 40.4 | 22% | 0.216 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -102.2 | 152.8 | -173.5 | -54.8 | -65.6 | 0 | 0 | 0 | 112.1 | H253 P267 Y270 S356 S442 F446 | H253-Y444 AromaticContact CE1-CE1 3.95Å; P267-Y444 HydrophobicContact CB-CD2 4.48Å; P267-Y444 HydrophobicContact CB-CE2 3.53Å; P267-Y444 WeakPolarHBondContact CB-OH 3.26Å; P267-Y444 HydrophobicContact CG-CD2 4.17Å; P267-Y444 HydrophobicContact CG-CE1 3.94Å; P267-Y444 HydrophobicContact CG-CE2 3.55Å; P267-Y444 VanDerWaalsContact CG-CZ 3.42Å; Y270-Y444 AromaticContact CE2-CD2 3.9Å; Y270-Y444 HydrophobicContact CE2-CD2 3.9Å; Y270-Y444 HydrophobicContact CE2-CE2 4.14Å; S356-Y444 WeakPolarHBondContact CB-O 3.48Å; S356-Y444 PolarHBondContact N-O 2.93Å; S442-Y444 PolarHBondContact OG-N 2.95Å; Y444-F446 AromaticContact CD1-CE1 3.82Å; Y444-F446 HydrophobicContact CD1-CE1 3.82Å; Y444-F446 HydrophobicContact CD1-CZ 4.02Å; Y444-F446 HydrophobicContact CD2-CZ 4.16Å; Y444-F446 AromaticContact CG-CE1 3.76Å; Y444-F446 HydrophobicContact CG-CE1 3.76Å; Y444-F446 HydrophobicContact CG-CE2 4.44Å; Y444-F446 AromaticContact CG-CZ 3.69Å; Y444-F446 HydrophobicContact CG-CZ 3.69Å |
| 445 | E | 88.3 | Confident | 91.4 | Very high | 123 Ų | 123 | 42.9 Ų | 42.9 | 58% | 0.575 | 20% | 0.2 | S | C | * | . | trans | -89.4 | -3.7 | 179.2 | -61.6 | -175.1 | 157.9 | 0 | 0 | 113.3 | N357 | N357-E445 HydrophobicContact CB-CG 3.94Å; N357-E445 WeakPolarHBondContact CB-OE1 3.45Å; N357-E445 PolarHBondContact ND2-OE1 3.06Å | ||
| 446 | F | 82.1 | Confident | 91.4 | Very high | 73 Ų | 73 | 45.5 Ų | 45.5 | 32% | 0.32 | 21% | 0.211 | S | C | . | . | trans | -109.1 | 0 | -173.1 | 60.7 | -103.5 | 0 | 0 | 0 | 113.7 | L252 H253 P267 Y270 C279 Y444 | L252-F446 HydrophobicContact CD1-CB 3.97Å; L252-F446 HydrophobicContact CD1-CG 4.25Å; L252-F446 HydrophobicContact CD2-CB 3.95Å; L252-F446 HydrophobicContact CD2-CD1 4.46Å; L252-F446 HydrophobicContact CD2-CD2 3.59Å; L252-F446 HydrophobicContact CD2-CE2 4.2Å; L252-F446 HydrophobicContact CD2-CG 3.75Å; L252-F446 HydrophobicContact CG-CB 4.16Å; L252-F446 HydrophobicContact CG-CD1 4.18Å; L252-F446 HydrophobicContact CG-CD2 4.18Å; L252-F446 HydrophobicContact CG-CG 3.92Å; H253-F446 HydrophobicContact CB-CE1 4.37Å; H253-F446 HydrophobicContact CB-CZ 4.19Å; P267-F446 HydrophobicContact CG-CZ 4.02Å; Y270-F446 HydrophobicContact CD1-CE2 4.19Å; Y270-F446 HydrophobicContact CE1-CD2 4.47Å; Y270-F446 AromaticContact CE1-CE2 4Å; Y270-F446 HydrophobicContact CE1-CE2 4Å; C279-F446 HydrophobicContact CB-CD2 4.34Å; C279-F446 HydrophobicContact CB-CE2 3.83Å; Y444-F446 AromaticContact CD1-CE1 3.82Å; Y444-F446 HydrophobicContact CD1-CE1 3.82Å; Y444-F446 HydrophobicContact CD1-CZ 4.02Å; Y444-F446 HydrophobicContact CD2-CZ 4.16Å; Y444-F446 AromaticContact CG-CE1 3.76Å; Y444-F446 HydrophobicContact CG-CE1 3.76Å; Y444-F446 HydrophobicContact CG-CE2 4.44Å; Y444-F446 AromaticContact CG-CZ 3.69Å; Y444-F446 HydrophobicContact CG-CZ 3.69Å |
Retrieved 446 of 446 residues in 146.5 ms
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