| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.9 | Very low | 36.6 | Very low | 223 Ų | 223 | 162 Ų | 162 | 100% | 1.099 | 83% | 0.831 | S | S | * | * | 0 | 94.4 | 0 | -163.4 | 167.6 | 101.9 | 0 | 0 | 107.5 | |||||
| 2 | Y | 31.2 | Very low | 36.5 | Very low | 234 Ų | 234 | 154.8 Ų | 154.8 | 92% | 0.918 | 82% | 0.815 | S | S | * | * | trans | -174.2 | 110.2 | 153.8 | -89.7 | -63.6 | 0 | 0 | 0 | 107 | ||||
| 3 | F | 37 | Very low | 36.3 | Very low | 177 Ų | 177 | 149.5 Ų | 149.5 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -73.9 | 131.2 | 176.1 | -96.6 | -102.5 | 0 | 0 | 0 | 109.8 | ||||
| 4 | L | 34.1 | Very low | 36 | Very low | 176 Ų | 176 | 152 Ų | 152 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -139.4 | 98.4 | 148 | -109.9 | 109.8 | 0 | 0 | 0 | 109.2 | A6 | L4-A6 PolarHBondContact O-N 3.48Š| ||
| 5 | R | 38 | Very low | 35.7 | Very low | 193 Ų | 193 | 152.5 Ų | 152.5 | 73% | 0.728 | 81% | 0.808 | S | S | * | * | trans | -74.6 | 111.3 | 165.5 | -82.8 | 176.9 | 163.9 | 174 | -4.4 | 107.9 | F7 | R5-F7 HydrophobicContact CB-CD2 4.4Å; R5-F7 PolarHBondContact O-N 3.39Å | ||
| 6 | A | 36.2 | Very low | 35.4 | Very low | 103 Ų | 103 | 150.4 Ų | 150.4 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -84.6 | 96.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108 | L4 C8 | L4-A6 PolarHBondContact O-N 3.48Å; A6-C8 PolarHBondContact O-N 3.2Å | ||
| 7 | F | 37.7 | Very low | 35.2 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -79.5 | 107.9 | 167 | -106.8 | -89.9 | 0 | 0 | 0 | 107.9 | R5 V9 | R5-F7 HydrophobicContact CB-CD2 4.4Å; R5-F7 PolarHBondContact O-N 3.39Å; F7-V9 PolarHBondContact O-N 2.97Å; F7-V9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | C | 36.5 | Very low | 35.6 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -71.3 | 95.9 | 170 | -143.3 | 0 | 0 | 0 | 0 | 107.7 | A6 L10 | A6-C8 PolarHBondContact O-N 3.2Å; C8-L10 PolarHBondContact O-N 3.38Å; C8-L10 VanDerWaalsContact O-N 3.15Å | ||
| 9 | V | 39.5 | Very low | 35.8 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | -78.4 | 95.8 | 170.6 | 180 | 0 | 0 | 0 | 0 | 107 | F7 C11 | F7-V9 PolarHBondContact O-N 2.97Å; F7-V9 VanDerWaalsContact O-N 3.1Å; V9-C11 VanDerWaalsContact C-N 3.28Å; V9-C11 PolarHBondContact O-N 3.4Å | ||
| 10 | L | 37.4 | Very low | 36.2 | Very low | 164 Ų | 164 | 134 Ų | 134 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | trans | -60 | 94.7 | 159.4 | -87.8 | 149.2 | 0 | 0 | 0 | 107.4 | C8 A12 | C8-L10 PolarHBondContact O-N 3.38Å; C8-L10 VanDerWaalsContact O-N 3.15Å; L10-A12 PolarHBondContact O-N 3.38Å | ||
| 11 | C | 32.8 | Very low | 37.3 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | trans | -63.6 | 92.2 | 160.5 | -87.8 | 0 | 0 | 0 | 0 | 107.4 | V9 A13 | V9-C11 VanDerWaalsContact C-N 3.28Å; V9-C11 PolarHBondContact O-N 3.4Å; C11-A13 VanDerWaalsContact C-N 3.3Å; C11-A13 PolarHBondContact O-N 2.71Å | ||
| 12 | A | 34.7 | Very low | 38.7 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 63% | 0.628 | 70% | 0.698 | S | S | * | * | trans | -57.7 | 102.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | L10 F14 | L10-A12 PolarHBondContact O-N 3.38Å; A12-F14 VanDerWaalsContact C-N 3.3Å; A12-F14 PolarHBondContact O-N 2.74Å | ||
| 13 | A | 34.5 | Very low | 40.8 | Very low | 86 Ų | 86 | 117.5 Ų | 117.5 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | trans | -59.6 | 100.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | C11 L15 | C11-A13 VanDerWaalsContact C-N 3.3Å; C11-A13 PolarHBondContact O-N 2.71Å; A13-L15 PolarHBondContact O-N 2.88Å | ||
| 14 | F | 31.3 | Very low | 42.9 | Very low | 184 Ų | 184 | 113.6 Ų | 113.6 | 81% | 0.807 | 66% | 0.656 | S | S | * | * | trans | -63.7 | 89.7 | 159.7 | -78.5 | -82.3 | 0 | 0 | 0 | 105.9 | A12 V16 | A12-F14 VanDerWaalsContact C-N 3.3Å; A12-F14 PolarHBondContact O-N 2.74Å; F14-V16 PolarHBondContact O-N 2.83Å | ||
| 15 | L | 31.3 | Very low | 45.1 | Very low | 159 Ų | 159 | 108.8 Ų | 108.8 | 83% | 0.832 | 63% | 0.631 | S | S | * | * | trans | -57.5 | 94.2 | 154.4 | -76.8 | 163.3 | 0 | 0 | 0 | 105 | A13 P17 | A13-L15 PolarHBondContact O-N 2.88Å; L15-P17 WeakPolarHBondContact O-CD 3.19Å; L15-P17 VanDerWaalsContact O-N 3.15Å | ||
| 16 | V | 31.6 | Very low | 47.3 | Very low | 119 Ų | 119 | 99.7 Ų | 99.7 | 72% | 0.721 | 60% | 0.597 | S | S | * | * | trans | -63.9 | 110.2 | 162.9 | 176 | 0 | 0 | 0 | 0 | 104.2 | F14 S18 | F14-V16 PolarHBondContact O-N 2.83Å; V16-S18 PolarHBondContact O-N 2.85Å; V16-S18 VanDerWaalsContact O-N 3.14Å | ||
| 17 | P | 32.3 | Very low | 49.6 | Very low | 106 Ų | 106 | 97 Ų | 97 | 69% | 0.688 | 57% | 0.566 | S | S | * | * | trans | -62.5 | 123.9 | 171.7 | 27.9 | -30 | 0 | 0 | 0 | 105.6 | L15 G19 | L15-P17 WeakPolarHBondContact O-CD 3.19Å; L15-P17 VanDerWaalsContact O-N 3.15Å; P17-G19 PolarHBondContact O-N 3.23Å | ||
| 18 | S | 42.6 | Very low | 51.9 | Low | 87 Ų | 87 | 93.4 Ų | 93.4 | 61% | 0.608 | 55% | 0.554 | S | S | * | * | trans | -65.3 | 79 | 163 | 52.2 | 0 | 0 | 0 | 0 | 106.7 | V16 | V16-S18 PolarHBondContact O-N 2.85Å; V16-S18 VanDerWaalsContact O-N 3.14Å | ||
| 19 | G | 39 | Very low | 54.2 | Low | 55 Ų | 55 | 89.7 Ų | 89.7 | 57% | 0.567 | 53% | 0.532 | S | S | * | . | trans | -72.7 | 135.9 | -170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P17 | P17-G19 PolarHBondContact O-N 3.23Š| ||
| 20 | A | 44 | Very low | 56.3 | Low | 25 Ų | 25 | 84.2 Ų | 84.2 | 21% | 0.207 | 50% | 0.499 | C | S | . | . | trans | -32.2 | 139.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T22 R297 | A20-T22 VanDerWaalsContact C-N 3.34Å; A20-T22 VanDerWaalsContact O-CG2 3.27Å; A20-T22 WeakPolarHBondContact O-CG2 3.2Å; A20-T22 PolarHBondContact O-N 3Å; A20-R297 VanDerWaalsContact CB-NH1 3.32Å | ||
| 21 | F | 58.4 | Low | 58.8 | Low | 103 Ų | 103 | 77 Ų | 77 | 45% | 0.452 | 46% | 0.461 | S | S | . | . | trans | -54.9 | 102.1 | 159.7 | -172.3 | -104.1 | 0 | 0 | 0 | 108.3 | D25 M26 | F21-D25 HydrophobicContact CD2-CB 4.19Å; F21-D25 HydrophobicContact CE2-CB 4.34Å; F21-M26 HydrophobicContact CD1-CB 4.41Å; F21-M26 HydrophobicContact CE1-CB 3.54Å; F21-M26 HydrophobicContact CE1-CE 4.01Å; F21-M26 HydrophobicContact CE1-CG 3.83Å; F21-M26 HydrophobicContact CZ-CB 3.75Å; F21-M26 HydrophobicContact CZ-CG 4.07Å | ||
| 22 | T | 73.6 | Confident | 61.4 | Low | 62 Ų | 62 | 79.5 Ų | 79.5 | 38% | 0.38 | 46% | 0.461 | S | S | . | . | trans | -83.7 | 166 | -176.5 | 67.1 | 0 | 0 | 0 | 0 | 110.4 | A20 E24 D25 M26 | A20-T22 VanDerWaalsContact C-N 3.34Å; A20-T22 VanDerWaalsContact O-CG2 3.27Å; A20-T22 WeakPolarHBondContact O-CG2 3.2Å; A20-T22 PolarHBondContact O-N 3Å; T22-E24 PolarHBondContact O-N 3.24Å; T22-E24 PolarHBondContact OG1-N 3.44Å; T22-D25 WeakPolarHBondContact CB-OD2 3.46Å; T22-D25 PolarHBondContact N-OD2 3Å; T22-D25 PolarHBondContact O-N 3.13Å; T22-D25 PolarHBondContact OG1-N 3.35Å; T22-D25 PolarHBondContact OG1-OD2 2.89Å; T22-M26 PolarHBondContact O-N 2.95Å; T22-M26 VanDerWaalsContact O-N 3.09Å | ||
| 23 | H | 74.7 | Confident | 63.7 | Low | 81 Ų | 81 | 81.9 Ų | 81.9 | 38% | 0.375 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.8 | -24.8 | 172.9 | -71.3 | -64.8 | 0 | 0 | 0 | 112.7 | K27 | H23-K27 WeakPolarHBondContact O-CB 3.14Å; H23-K27 PolarHBondContact O-N 3.1Å; H23-K27 VanDerWaalsContact O-N 3.11Å |
| 24 | E | 80.9 | Confident | 66 | Low | 95 Ų | 95 | 79.4 Ų | 79.4 | 44% | 0.444 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -76.5 | -44.1 | 176.6 | -156.7 | 65 | -164.8 | 0 | 0 | 110.8 | T22 M26 K27 D28 | T22-E24 PolarHBondContact O-N 3.24Å; T22-E24 PolarHBondContact OG1-N 3.44Å; E24-M26 PolarHBondContact O-N 3.15Å; E24-K27 WeakPolarHBondContact O-CB 3.3Å; E24-K27 PolarHBondContact O-N 3.23Å; E24-K27 IonicContact OE1-NZ 2.74Å; E24-K27 PolarHBondContact OE1-NZ 3.31Å; E24-K27 IonicContact OE2-NZ 2.71Å; E24-D28 PolarHBondContact O-N 2.99Å |
| 25 | D | 80.4 | Confident | 68.5 | Low | 75 Ų | 75 | 73.6 Ų | 73.6 | 40% | 0.401 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.1 | -38.2 | 174.9 | -55.4 | -48.7 | 0 | 0 | 0 | 111.5 | F21 T22 A29 | F21-D25 HydrophobicContact CD2-CB 4.19Å; F21-D25 HydrophobicContact CE2-CB 4.34Å; T22-D25 WeakPolarHBondContact CB-OD2 3.46Å; T22-D25 PolarHBondContact N-OD2 3Å; T22-D25 PolarHBondContact O-N 3.13Å; T22-D25 PolarHBondContact OG1-N 3.35Å; T22-D25 PolarHBondContact OG1-OD2 2.89Å; D25-A29 VanDerWaalsContact O-CB 3.29Å; D25-A29 WeakPolarHBondContact O-CB 3.38Å; D25-A29 PolarHBondContact O-N 2.9Å |
| 26 | M | 83.4 | Confident | 71 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 174.5 | -172.7 | -161.1 | -57.4 | 0 | 0 | 112.3 | F21 T22 E24 D28 A29 L30 I275 F277 W282 M346 | F21-M26 HydrophobicContact CD1-CB 4.41Å; F21-M26 HydrophobicContact CE1-CB 3.54Å; F21-M26 HydrophobicContact CE1-CE 4.01Å; F21-M26 HydrophobicContact CE1-CG 3.83Å; F21-M26 HydrophobicContact CZ-CB 3.75Å; F21-M26 HydrophobicContact CZ-CG 4.07Å; T22-M26 PolarHBondContact O-N 2.95Å; T22-M26 VanDerWaalsContact O-N 3.09Å; E24-M26 PolarHBondContact O-N 3.15Å; M26-D28 VanDerWaalsContact C-N 3.34Å; M26-A29 PolarHBondContact O-N 2.76Å; M26-L30 HydrophobicContact CG-CD1 3.85Å; M26-L30 WeakPolarHBondContact O-CB 3.36Å; M26-L30 WeakPolarHBondContact O-CD1 3.41Å; M26-L30 WeakPolarHBondContact O-CG 3.43Å; M26-L30 PolarHBondContact O-N 3.26Å; M26-L30 HydrophobicContact SD-CD1 4.26Å; M26-I275 HydrophobicContact CE-CD1 3.15Å; M26-I275 HydrophobicContact CE-CG1 4.21Å; M26-I275 HydrophobicContact CE-CG2 3.77Å; M26-I275 HydrophobicContact SD-CG2 4.27Å; M26-F277 HydrophobicContact SD-CE1 4.02Å; M26-W282 HydrophobicContact CG-CH2 4.46Å; M26-W282 HydrophobicContact SD-CH2 4.18Å; M26-W282 HydrophobicContact SD-CZ2 4.02Å; M26-M346 HydrophobicContact CG-CE 4.24Å; M26-M346 HydrophobicContact SD-CE 4.42Å |
| 27 | K | 86.1 | Confident | 73.5 | Confident | 48 Ų | 48 | 70.4 Ų | 70.4 | 21% | 0.209 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.4 | -48.6 | 178.9 | 171.8 | -174.7 | 155.2 | -149.7 | 0 | 110 | H23 E24 A29 L30 L31 V39 W282 | H23-K27 WeakPolarHBondContact O-CB 3.14Å; H23-K27 PolarHBondContact O-N 3.1Å; H23-K27 VanDerWaalsContact O-N 3.11Å; E24-K27 WeakPolarHBondContact O-CB 3.3Å; E24-K27 PolarHBondContact O-N 3.23Å; E24-K27 IonicContact OE1-NZ 2.74Å; E24-K27 PolarHBondContact OE1-NZ 3.31Å; E24-K27 IonicContact OE2-NZ 2.71Å; K27-A29 PolarHBondContact O-N 3.13Å; K27-L30 PolarHBondContact O-N 3.31Å; K27-L31 HydrophobicContact CG-CD1 4.02Å; K27-L31 WeakPolarHBondContact O-CB 3.39Å; K27-L31 VanDerWaalsContact O-CG 3.31Å; K27-L31 WeakPolarHBondContact O-CG 3.48Å; K27-L31 PolarHBondContact O-N 3.13Å; K27-V39 HydrophobicContact CD-CG2 4.48Å; K27-V39 HydrophobicContact CG-CG2 4.46Å; K27-W282 HydrophobicContact CB-CD2 4.06Å; K27-W282 HydrophobicContact CB-CE3 4.04Å; K27-W282 HydrophobicContact CB-CH2 3.99Å; K27-W282 HydrophobicContact CB-CZ2 3.93Å; K27-W282 HydrophobicContact CB-CZ3 3.99Å; K27-W282 HydrophobicContact CD-CD2 4.22Å; K27-W282 HydrophobicContact CD-CE3 4.42Å; K27-W282 HydrophobicContact CD-CG 4.33Å; K27-W282 HydrophobicContact CG-CD2 4.05Å; K27-W282 HydrophobicContact CG-CE3 3.84Å; K27-W282 HydrophobicContact CG-CZ3 4.13Å |
| 28 | D | 85.9 | Confident | 76.1 | Confident | 85 Ų | 85 | 71.4 Ų | 71.4 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | -179.7 | -68 | -15.3 | 0 | 0 | 0 | 111.6 | E24 M26 L30 L31 Q32 | E24-D28 PolarHBondContact O-N 2.99Å; M26-D28 VanDerWaalsContact C-N 3.34Å; D28-L30 VanDerWaalsContact C-N 3.34Å; D28-L30 PolarHBondContact O-N 2.89Å; D28-L31 PolarHBondContact O-N 3.42Å; D28-Q32 VanDerWaalsContact O-CB 3.27Å; D28-Q32 WeakPolarHBondContact O-CB 3.46Å; D28-Q32 PolarHBondContact O-N 3.11Å |
| 29 | A | 83.4 | Confident | 78.3 | Confident | 43 Ų | 43 | 69 Ų | 69 | 36% | 0.355 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D25 M26 K27 K33 | D25-A29 VanDerWaalsContact O-CB 3.29Å; D25-A29 WeakPolarHBondContact O-CB 3.38Å; D25-A29 PolarHBondContact O-N 2.9Å; M26-A29 PolarHBondContact O-N 2.76Å; K27-A29 PolarHBondContact O-N 3.13Å; A29-K33 VanDerWaalsContact O-CB 3.29Å; A29-K33 WeakPolarHBondContact O-CB 3.35Å; A29-K33 PolarHBondContact O-N 2.89Å; A29-K33 VanDerWaalsContact O-N 3.11Å |
| 30 | L | 85.3 | Confident | 80.5 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.5 | -46.6 | 177 | -77.2 | 161.8 | 0 | 0 | 0 | 111.6 | M26 K27 D28 K33 L34 W282 I326 F343 M346 | M26-L30 HydrophobicContact CG-CD1 3.85Å; M26-L30 WeakPolarHBondContact O-CB 3.36Å; M26-L30 WeakPolarHBondContact O-CD1 3.41Å; M26-L30 WeakPolarHBondContact O-CG 3.43Å; M26-L30 PolarHBondContact O-N 3.26Å; M26-L30 HydrophobicContact SD-CD1 4.26Å; K27-L30 PolarHBondContact O-N 3.31Å; D28-L30 VanDerWaalsContact C-N 3.34Å; D28-L30 PolarHBondContact O-N 2.89Å; L30-K33 PolarHBondContact O-N 2.94Å; L30-L34 WeakPolarHBondContact O-CB 3.14Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.29Å; L30-L34 PolarHBondContact O-N 3.37Å; L30-W282 HydrophobicContact CD1-CH2 3.38Å; L30-W282 HydrophobicContact CD1-CZ3 3.83Å; L30-I326 HydrophobicContact CD2-CD1 4.01Å; L30-F343 HydrophobicContact CD2-CB 4.38Å; L30-F343 HydrophobicContact CD2-CD1 3.33Å; L30-F343 HydrophobicContact CD2-CD2 4.21Å; L30-F343 HydrophobicContact CD2-CE1 3.36Å; L30-F343 HydrophobicContact CD2-CE2 4.28Å; L30-F343 HydrophobicContact CD2-CG 3.71Å; L30-F343 HydrophobicContact CD2-CZ 3.83Å; L30-F343 HydrophobicContact CG-CD1 4.46Å; L30-F343 HydrophobicContact CG-CE1 4.46Å; L30-M346 HydrophobicContact CD1-CE 4.45Å; L30-M346 HydrophobicContact CD2-CE 4.27Å |
| 31 | L | 88.3 | Confident | 82.4 | Confident | 12 Ų | 12 | 73.5 Ų | 73.5 | 6% | 0.063 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.3 | -47.4 | 179 | -72.9 | -179.7 | 0 | 0 | 0 | 111.6 | K27 D28 K33 L34 G35 L36 V39 | K27-L31 HydrophobicContact CG-CD1 4.02Å; K27-L31 WeakPolarHBondContact O-CB 3.39Å; K27-L31 VanDerWaalsContact O-CG 3.31Å; K27-L31 WeakPolarHBondContact O-CG 3.48Å; K27-L31 PolarHBondContact O-N 3.13Å; D28-L31 PolarHBondContact O-N 3.42Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 3.06Å; L31-L34 CarbonylContact O-C 3.5Å; L31-L34 PolarHBondContact O-N 3.32Å; L31-L34 VanDerWaalsContact O-N 3.13Å; L31-G35 PolarHBondContact O-N 3.42Å; L31-L36 CarbonylContact C-O 3.56Å; L31-L36 WeakPolarHBondContact CB-O 3.23Å; L31-L36 HydrophobicContact CD2-CB 3.9Å; L31-L36 HydrophobicContact CD2-CD1 4.45Å; L31-L36 PolarHBondContact O-N 2.67Å; L31-V39 HydrophobicContact CD1-CG2 4.11Å; L31-V39 HydrophobicContact CD2-CG2 4.27Å |
| 32 | Q | 87.8 | Confident | 83.7 | Confident | 166 Ų | 166 | 69.1 Ų | 69.1 | 78% | 0.776 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.7 | -42.3 | 176.4 | -171.8 | -174.6 | 16.6 | 0 | 0 | 111.7 | D28 L34 G35 | D28-Q32 VanDerWaalsContact O-CB 3.27Å; D28-Q32 WeakPolarHBondContact O-CB 3.46Å; D28-Q32 PolarHBondContact O-N 3.11Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 2.95Å; Q32-G35 PolarHBondContact O-N 3.02Å |
| 33 | K | 83.7 | Confident | 84 | Confident | 126 Ų | 126 | 70.8 Ų | 70.8 | 55% | 0.548 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67 | -31.9 | 179.6 | -174.5 | 59.7 | 175.1 | -177.8 | 0 | 112.7 | A29 L30 L31 G35 F343 | A29-K33 VanDerWaalsContact O-CB 3.29Å; A29-K33 WeakPolarHBondContact O-CB 3.35Å; A29-K33 PolarHBondContact O-N 2.89Å; A29-K33 VanDerWaalsContact O-N 3.11Å; L30-K33 PolarHBondContact O-N 2.94Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 3.06Å; K33-G35 VanDerWaalsContact C-N 3.34Å; K33-F343 HydrophobicContact CB-CD1 3.97Å; K33-F343 HydrophobicContact CB-CE1 3.94Å; K33-F343 HydrophobicContact CG-CD1 3.71Å; K33-F343 HydrophobicContact CG-CE1 3.86Å |
| 34 | L | 83.3 | Confident | 84.1 | Confident | 34 Ų | 34 | 73.6 Ų | 73.6 | 18% | 0.178 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -84.5 | -8.9 | 177.7 | -68 | 177.1 | 0 | 0 | 0 | 113.4 | L30 L31 Q32 L36 W286 Y328 F343 | L30-L34 WeakPolarHBondContact O-CB 3.14Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.29Å; L30-L34 PolarHBondContact O-N 3.37Å; L31-L34 CarbonylContact O-C 3.5Å; L31-L34 PolarHBondContact O-N 3.32Å; L31-L34 VanDerWaalsContact O-N 3.13Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 2.95Å; L34-L36 HydrophobicContact CB-CB 4.35Å; L34-L36 HydrophobicContact CB-CD1 3.77Å; L34-L36 HydrophobicContact CB-CG 3.75Å; L34-L36 HydrophobicContact CD1-CD1 3.84Å; L34-L36 HydrophobicContact CG-CD1 4.45Å; L34-L36 PolarHBondContact O-N 3.5Å; L34-W286 HydrophobicContact CD1-CH2 3.73Å; L34-W286 HydrophobicContact CD1-CZ3 3.59Å; L34-Y328 HydrophobicContact CD1-CD2 4.17Å; L34-Y328 HydrophobicContact CD1-CE2 3.96Å; L34-Y328 HydrophobicContact CD2-CD2 4.41Å; L34-Y328 HydrophobicContact CD2-CE1 4.01Å; L34-Y328 HydrophobicContact CD2-CE2 3.48Å; L34-Y328 VanDerWaalsContact CD2-CE2 3.48Å; L34-Y328 VanDerWaalsContact CD2-OH 3.23Å; L34-Y328 WeakPolarHBondContact CD2-OH 3.36Å; L34-Y328 HydrophobicContact CG-CE2 4.35Å; L34-F343 HydrophobicContact CD1-CE1 4.35Å; L34-F343 HydrophobicContact CD1-CZ 4.03Å; L34-F343 HydrophobicContact CD2-CE1 4.02Å; L34-F343 HydrophobicContact CD2-CZ 3.6Å; L34-F343 HydrophobicContact CG-CE1 3.87Å; L34-F343 HydrophobicContact CG-CZ 3.8Å |
| 35 | G | 83.3 | Confident | 83.9 | Confident | 62 Ų | 62 | 76.4 Ų | 76.4 | 64% | 0.639 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 32.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L31 Q32 K33 | L31-G35 PolarHBondContact O-N 3.42Å; Q32-G35 PolarHBondContact O-N 3.02Å; K33-G35 VanDerWaalsContact C-N 3.34Å |
| 36 | L | 82.9 | Confident | 83.6 | Confident | 44 Ų | 44 | 75.6 Ų | 75.6 | 23% | 0.23 | 38% | 0.38 | C | S | . | . | trans | -103.7 | 127.3 | 177.3 | -64.5 | 175.1 | 0 | 0 | 0 | 109 | L31 L34 P40 | L31-L36 CarbonylContact C-O 3.56Å; L31-L36 WeakPolarHBondContact CB-O 3.23Å; L31-L36 HydrophobicContact CD2-CB 3.9Å; L31-L36 HydrophobicContact CD2-CD1 4.45Å; L31-L36 PolarHBondContact O-N 2.67Å; L34-L36 HydrophobicContact CB-CB 4.35Å; L34-L36 HydrophobicContact CB-CD1 3.77Å; L34-L36 HydrophobicContact CB-CG 3.75Å; L34-L36 HydrophobicContact CD1-CD1 3.84Å; L34-L36 HydrophobicContact CG-CD1 4.45Å; L34-L36 PolarHBondContact O-N 3.5Å; L36-P40 HydrophobicContact CD1-CG 3.8Å | ||
| 37 | D | 84.3 | Confident | 83 | Confident | 168 Ų | 168 | 78 Ų | 78 | 90% | 0.898 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -76.9 | -26.4 | 176.6 | -59.9 | -43.7 | 0 | 0 | 0 | 112.2 | ||
| 38 | E | 87.4 | Confident | 82.3 | Confident | 126 Ų | 126 | 82.3 Ų | 82.3 | 59% | 0.589 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -138.2 | 157.9 | 179.5 | -67.6 | -173.4 | -178.8 | 0 | 0 | 111.6 | K41 | E38-K41 IonicContact OE2-NZ 3.38Å; E38-K41 PolarHBondContact OE2-NZ 3.28Å |
| 39 | V | 87.5 | Confident | 81.4 | Confident | 37 Ų | 37 | 85.3 Ų | 85.3 | 22% | 0.224 | 43% | 0.429 | C | S | . | . | trans | -60.1 | 132 | 173.6 | 178.8 | 0 | 0 | 0 | 0 | 110.4 | K27 L31 K41 W282 | K27-V39 HydrophobicContact CD-CG2 4.48Å; K27-V39 HydrophobicContact CG-CG2 4.46Å; L31-V39 HydrophobicContact CD1-CG2 4.11Å; L31-V39 HydrophobicContact CD2-CG2 4.27Å; V39-K41 PolarHBondContact O-N 3.41Å; V39-W282 VanDerWaalsContact CG1-O 3.29Å; V39-W282 WeakPolarHBondContact CG1-O 3.34Å; V39-W282 HydrophobicContact CG2-CB 4.41Å; V39-W282 HydrophobicContact CG2-CE3 4.39Å | ||
| 40 | P | 86.1 | Confident | 81.1 | Confident | 18 Ų | 18 | 85.6 Ų | 85.6 | 12% | 0.117 | 43% | 0.425 | C | S | . | . | trans | -55 | 125 | 175.9 | -27.7 | 35.9 | 0 | 0 | 0 | 112.2 | L36 I42 W286 | L36-P40 HydrophobicContact CD1-CG 3.8Å; P40-I42 HydrophobicContact CB-CD1 4.44Å; P40-I42 HydrophobicContact CB-CG1 3.94Å; P40-I42 PolarHBondContact O-N 2.92Å; P40-W286 HydrophobicContact CB-CB 4.31Å; P40-W286 HydrophobicContact CB-CG 4.42Å; P40-W286 HydrophobicContact CG-CD2 4.18Å; P40-W286 HydrophobicContact CG-CE3 4.14Å; P40-W286 HydrophobicContact CG-CG 4.39Å | ||
| 41 | K | 84.9 | Confident | 80.8 | Confident | 157 Ų | 157 | 91.4 Ų | 91.4 | 68% | 0.683 | 46% | 0.46 | S | S | * | . | trans | -78.1 | 64.4 | 179.4 | -62.5 | 178.2 | -176 | 166.2 | 0 | 111 | E38 V39 | E38-K41 IonicContact OE2-NZ 3.38Å; E38-K41 PolarHBondContact OE2-NZ 3.28Å; V39-K41 PolarHBondContact O-N 3.41Å | ||
| 42 | I | 84.3 | Confident | 80.5 | Confident | 11 Ų | 11 | 93 Ų | 93 | 6% | 0.056 | 47% | 0.471 | C | S | . | . | trans | -90.4 | 133 | 176.5 | -52.1 | -60.6 | 0 | 0 | 0 | 109.6 | P40 D46 L47 Y285 W286 L329 T336 | P40-I42 HydrophobicContact CB-CD1 4.44Å; P40-I42 HydrophobicContact CB-CG1 3.94Å; P40-I42 PolarHBondContact O-N 2.92Å; I42-D46 HydrophobicContact CG2-CB 3.9Å; I42-L47 HydrophobicContact CG2-CD1 3.92Å; I42-Y285 WeakPolarHBondContact CG2-O 3.27Å; I42-Y285 WeakPolarHBondContact O-CB 3.34Å; I42-W286 HydrophobicContact CB-CB 4.21Å; I42-W286 HydrophobicContact CG1-CB 3.77Å; I42-L329 HydrophobicContact CD1-CB 4.39Å; I42-L329 HydrophobicContact CG1-CB 4.24Å; I42-L329 HydrophobicContact CG2-CD1 3.88Å; I42-T336 HydrophobicContact CD1-CG2 3.83Å | ||
| 43 | Q | 80.9 | Confident | 80.6 | Confident | 96 Ų | 96 | 87.6 Ų | 87.6 | 45% | 0.449 | 45% | 0.449 | S | S | . | . | trans | -103.6 | 158.4 | 179 | -62.9 | -177.4 | 23.2 | 0 | 0 | 110.8 | R45 D46 L47 | Q43-R45 HydrophobicContact CB-CG 4.03Å; Q43-R45 PolarHBondContact O-N 2.7Å; Q43-R45 VanDerWaalsContact O-N 3.13Å; Q43-D46 PolarHBondContact N-OD2 3.07Å; Q43-D46 WeakPolarHBondContact O-CB 3.29Å; Q43-D46 PolarHBondContact O-N 3.2Å; Q43-L47 VanDerWaalsContact O-CD1 3.29Å; Q43-L47 WeakPolarHBondContact O-CD1 3.48Å | ||
| 44 | K | 76.5 | Confident | 80.7 | Confident | 141 Ų | 141 | 84.9 Ų | 84.9 | 61% | 0.613 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -38.8 | 178.5 | -172.7 | 179.3 | 176.6 | -174.9 | 0 | 113.5 | D46 L47 Y285 | K44-D46 PolarHBondContact O-N 3.02Å; K44-L47 PolarHBondContact O-N 2.98Å; K44-L47 VanDerWaalsContact O-N 3.13Å; K44-Y285 HydrophobicContact CB-CD1 4.41Å; K44-Y285 HydrophobicContact CB-CE1 4.12Å |
| 45 | R | 77 | Confident | 81 | Confident | 154 Ų | 154 | 89.6 Ų | 89.6 | 58% | 0.581 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.2 | -29.9 | 177.7 | 68.7 | -174.5 | -178.8 | -165.3 | -2.3 | 113.6 | Q43 L47 E48 | Q43-R45 HydrophobicContact CB-CG 4.03Å; Q43-R45 PolarHBondContact O-N 2.7Å; Q43-R45 VanDerWaalsContact O-N 3.13Å; R45-L47 PolarHBondContact O-N 2.88Å; R45-E48 PolarHBondContact O-N 2.94Å |
| 46 | D | 74 | Confident | 81.1 | Confident | 57 Ų | 57 | 87.5 Ų | 87.5 | 31% | 0.305 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -73.2 | -16.3 | -177.7 | -53.3 | -38.5 | 0 | 0 | 0 | 111.3 | I42 Q43 K44 | I42-D46 HydrophobicContact CG2-CB 3.9Å; Q43-D46 PolarHBondContact N-OD2 3.07Å; Q43-D46 WeakPolarHBondContact O-CB 3.29Å; Q43-D46 PolarHBondContact O-N 3.2Å; K44-D46 PolarHBondContact O-N 3.02Å |
| 47 | L | 70.5 | Confident | 80.9 | Confident | 52 Ų | 52 | 91.2 Ų | 91.2 | 27% | 0.272 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -89.4 | -21.3 | 176.4 | -69.8 | 76 | 0 | 0 | 0 | 113 | I42 Q43 K44 R45 N49 L50 Y285 | I42-L47 HydrophobicContact CG2-CD1 3.92Å; Q43-L47 VanDerWaalsContact O-CD1 3.29Å; Q43-L47 WeakPolarHBondContact O-CD1 3.48Å; K44-L47 PolarHBondContact O-N 2.98Å; K44-L47 VanDerWaalsContact O-N 3.13Å; R45-L47 PolarHBondContact O-N 2.88Å; L47-N49 VanDerWaalsContact C-N 3.28Å; L47-N49 PolarHBondContact O-N 3.24Å; L47-L50 WeakPolarHBondContact O-CB 3.27Å; L47-L50 PolarHBondContact O-N 3.33Å; L47-Y285 WeakPolarHBondContact CD1-O 3.29Å |
| 48 | E | 70.2 | Confident | 80.9 | Confident | 138 Ų | 138 | 88.2 Ų | 88.2 | 65% | 0.645 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.9 | -31.2 | -170.5 | -69.7 | 178.3 | 176.1 | 0 | 0 | 112.8 | R45 | R45-E48 PolarHBondContact O-N 2.94Å |
| 49 | N | 68.4 | Low | 80.9 | Confident | 148 Ų | 148 | 87.2 Ų | 87.2 | 79% | 0.791 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 17.4 | 178.5 | -64.3 | -49.9 | 0 | 0 | 0 | 113 | L47 V51 | L47-N49 VanDerWaalsContact C-N 3.28Å; L47-N49 PolarHBondContact O-N 3.24Å; N49-V51 PolarHBondContact O-N 3.28Å |
| 50 | L | 75.8 | Confident | 80.5 | Confident | 50 Ų | 50 | 86.5 Ų | 86.5 | 26% | 0.262 | 43% | 0.431 | S | S | . | . | trans | -74.5 | 112.8 | -175.6 | -174.3 | 71.5 | 0 | 0 | 0 | 111.1 | L47 I288 L329 I338 | L47-L50 WeakPolarHBondContact O-CB 3.27Å; L47-L50 PolarHBondContact O-N 3.33Å; L50-I288 HydrophobicContact CD2-CD1 3.74Å; L50-I288 HydrophobicContact CD2-CG1 4.11Å; L50-L329 HydrophobicContact CD1-CD2 3.85Å; L50-L329 HydrophobicContact CD2-CD1 4.25Å; L50-L329 HydrophobicContact CD2-CD2 4.1Å; L50-I338 HydrophobicContact CD1-CD1 3.73Å; L50-I338 HydrophobicContact CD1-CG1 4.03Å; L50-I338 HydrophobicContact CD2-CD1 4.31Å; L50-I338 HydrophobicContact CG-CD1 4.04Å | ||
| 51 | V | 79 | Confident | 80 | Confident | 123 Ų | 123 | 89.3 Ų | 89.3 | 75% | 0.745 | 45% | 0.445 | S | S | * | . | trans | -104.3 | 115.7 | 172.7 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | N49 P53 | N49-V51 PolarHBondContact O-N 3.28Å; V51-P53 VanDerWaalsContact O-CD 3.25Å; V51-P53 WeakPolarHBondContact O-CD 3.31Å | ||
| 52 | V | 82.7 | Confident | 79.9 | Confident | 46 Ų | 46 | 85.2 Ų | 85.2 | 28% | 0.279 | 44% | 0.435 | S | S | . | . | trans | -72.6 | 117.6 | 176.3 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | I56 K57 M327 I338 | V52-I56 HydrophobicContact CG1-CB 4.38Å; V52-I56 HydrophobicContact CG1-CG2 4.26Å; V52-K57 HydrophobicContact CG1-CB 4.21Å; V52-M327 HydrophobicContact CG1-CE 4.38Å; V52-M327 HydrophobicContact CG1-SD 3.8Å; V52-M327 HydrophobicContact CG2-CE 4.35Å; V52-I338 HydrophobicContact CB-CD1 4.21Å; V52-I338 HydrophobicContact CG1-CD1 4.39Å; V52-I338 HydrophobicContact CG2-CD1 3.93Å | ||
| 53 | P | 89.8 | Confident | 80 | Confident | 51 Ų | 51 | 86.2 Ų | 86.2 | 33% | 0.331 | 44% | 0.44 | S | S | . | . | trans | -61.2 | 144.8 | 179 | -24 | 35.1 | 0 | 0 | 0 | 112.4 | V51 H55 I56 K57 | V51-P53 VanDerWaalsContact O-CD 3.25Å; V51-P53 WeakPolarHBondContact O-CD 3.31Å; P53-H55 VanDerWaalsContact C-N 3.26Å; P53-H55 WeakPolarHBondContact CB-CE1 3.41Å; P53-H55 WeakPolarHBondContact CB-ND1 3.46Å; P53-H55 PolarHBondContact O-N 2.78Å; P53-I56 HydrophobicContact CB-CG1 4.19Å; P53-I56 HydrophobicContact CG-CG1 4.28Å; P53-I56 PolarHBondContact O-N 2.93Å; P53-I56 VanDerWaalsContact O-N 3.07Å; P53-K57 PolarHBondContact O-N 2.85Å | ||
| 54 | A | 85.2 | Confident | 79.6 | Confident | 70 Ų | 70 | 83.4 Ų | 83.4 | 58% | 0.579 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57.4 | -37.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K57 N58 | A54-K57 PolarHBondContact O-N 3.02Å; A54-N58 WeakPolarHBondContact O-CB 3.48Å; A54-N58 PolarHBondContact O-N 2.81Å; A54-N58 PolarHBondContact O-ND2 2.89Å |
| 55 | H | 90 | Very high | 79.3 | Confident | 132 Ų | 132 | 84.3 Ų | 84.3 | 61% | 0.611 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -66 | -38.2 | 178.8 | 68.7 | -88.9 | 0 | 0 | 0 | 112.4 | P53 K59 | P53-H55 VanDerWaalsContact C-N 3.26Å; P53-H55 WeakPolarHBondContact CB-CE1 3.41Å; P53-H55 WeakPolarHBondContact CB-ND1 3.46Å; P53-H55 PolarHBondContact O-N 2.78Å; H55-K59 WeakPolarHBondContact O-CB 3.25Å; H55-K59 PolarHBondContact O-N 3.12Å |
| 56 | I | 86.5 | Confident | 79.4 | Confident | 19 Ų | 19 | 79.3 Ų | 79.3 | 10% | 0.097 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.4 | -46 | 175.8 | -61.3 | -58.6 | 0 | 0 | 0 | 110.7 | V52 P53 N58 K59 Y60 M327 I338 V340 | V52-I56 HydrophobicContact CG1-CB 4.38Å; V52-I56 HydrophobicContact CG1-CG2 4.26Å; P53-I56 HydrophobicContact CB-CG1 4.19Å; P53-I56 HydrophobicContact CG-CG1 4.28Å; P53-I56 PolarHBondContact O-N 2.93Å; P53-I56 VanDerWaalsContact O-N 3.07Å; I56-N58 VanDerWaalsContact C-N 3.31Å; I56-N58 PolarHBondContact O-N 3.18Å; I56-K59 WeakPolarHBondContact O-CB 3.41Å; I56-K59 PolarHBondContact O-N 2.87Å; I56-Y60 PolarHBondContact O-N 3.37Å; I56-M327 HydrophobicContact CG2-SD 3.98Å; I56-I338 HydrophobicContact CG2-CB 4.42Å; I56-I338 HydrophobicContact CG2-CG2 3.82Å; I56-V340 HydrophobicContact CG2-CG2 3.63Å |
| 57 | K | 77.3 | Confident | 79.5 | Confident | 121 Ų | 121 | 77 Ų | 77 | 53% | 0.526 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.7 | -45.7 | 175.3 | -175.9 | 178 | 180 | 176.7 | 0 | 111.5 | V52 P53 A54 Y60 L61 | V52-K57 HydrophobicContact CG1-CB 4.21Å; P53-K57 PolarHBondContact O-N 2.85Å; A54-K57 PolarHBondContact O-N 3.02Å; K57-Y60 PolarHBondContact O-N 3.12Å; K57-L61 HydrophobicContact CG-CD1 4.28Å; K57-L61 WeakPolarHBondContact O-CG 3.39Å; K57-L61 PolarHBondContact O-N 3.05Å |
| 58 | N | 84 | Confident | 79.4 | Confident | 105 Ų | 105 | 79.4 Ų | 79.4 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66 | -38.9 | 178.3 | -70.9 | -18.8 | 0 | 0 | 0 | 112.2 | A54 I56 L61 S62 | A54-N58 WeakPolarHBondContact O-CB 3.48Å; A54-N58 PolarHBondContact O-N 2.81Å; A54-N58 PolarHBondContact O-ND2 2.89Å; I56-N58 VanDerWaalsContact C-N 3.31Å; I56-N58 PolarHBondContact O-N 3.18Å; N58-L61 PolarHBondContact O-N 2.93Å; N58-S62 WeakPolarHBondContact O-CB 3.32Å; N58-S62 PolarHBondContact O-N 3.08Å |
| 59 | K | 89 | Confident | 79.1 | Confident | 105 Ų | 105 | 75.2 Ų | 75.2 | 46% | 0.457 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.2 | -49.8 | 172.8 | -176.3 | -176.8 | 177.1 | -169.1 | 0 | 110.8 | H55 I56 S62 M63 V340 | H55-K59 WeakPolarHBondContact O-CB 3.25Å; H55-K59 PolarHBondContact O-N 3.12Å; I56-K59 WeakPolarHBondContact O-CB 3.41Å; I56-K59 PolarHBondContact O-N 2.87Å; K59-S62 PolarHBondContact O-N 3.05Å; K59-M63 HydrophobicContact CG-SD 4.19Å; K59-M63 WeakPolarHBondContact O-CG 3.42Å; K59-M63 PolarHBondContact O-N 3.23Å; K59-V340 HydrophobicContact CD-CB 4.38Å; K59-V340 PolarHBondContact NZ-O 3.05Å |
| 60 | Y | 78.9 | Confident | 79.2 | Confident | 22 Ų | 22 | 72.8 Ų | 72.8 | 9% | 0.086 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.4 | -47.5 | 177.3 | 179.6 | -116.6 | 0 | 0 | 0 | 112.7 | I56 K57 S62 M63 L64 E289 P325 M327 V340 | I56-Y60 PolarHBondContact O-N 3.37Å; K57-Y60 PolarHBondContact O-N 3.12Å; Y60-S62 VanDerWaalsContact C-N 3.31Å; Y60-S62 PolarHBondContact O-N 3.09Å; Y60-M63 PolarHBondContact O-N 3.28Å; Y60-L64 HydrophobicContact CD1-CD1 3.96Å; Y60-L64 HydrophobicContact CD2-CG 4.49Å; Y60-L64 HydrophobicContact CE1-CD1 3.45Å; Y60-L64 VanDerWaalsContact CE1-CD1 3.45Å; Y60-L64 HydrophobicContact CE1-CG 4.16Å; Y60-L64 HydrophobicContact CE2-CD1 4.29Å; Y60-L64 HydrophobicContact CE2-CD2 4.25Å; Y60-L64 HydrophobicContact CE2-CG 4.11Å; Y60-L64 WeakPolarHBondContact O-CG 3.45Å; Y60-L64 PolarHBondContact O-N 2.97Å; Y60-E289 HydrophobicContact CE1-CB 3.75Å; Y60-E289 HydrophobicContact CE1-CG 4.17Å; Y60-E289 HydrophobicContact CE2-CB 4.34Å; Y60-E289 WeakPolarHBondContact OH-CB 3.5Å; Y60-P325 HydrophobicContact CE2-CB 4.2Å; Y60-M327 HydrophobicContact CD2-CB 4.22Å; Y60-M327 HydrophobicContact CE2-CB 4.47Å; Y60-V340 HydrophobicContact CD2-CG1 3.81Å; Y60-V340 HydrophobicContact CG-CG1 4.45Å |
| 61 | L | 75.5 | Confident | 78.6 | Confident | 78 Ų | 78 | 73.6 Ų | 73.6 | 41% | 0.408 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.8 | -36.8 | 177.5 | -69.9 | 174.5 | 0 | 0 | 0 | 112.9 | K57 N58 L64 K65 | K57-L61 HydrophobicContact CG-CD1 4.28Å; K57-L61 WeakPolarHBondContact O-CG 3.39Å; K57-L61 PolarHBondContact O-N 3.05Å; N58-L61 PolarHBondContact O-N 2.93Å; L61-L64 HydrophobicContact CD2-CD1 4.49Å; L61-L64 PolarHBondContact O-N 3.11Å; L61-K65 WeakPolarHBondContact O-CG 3.35Å; L61-K65 PolarHBondContact O-N 3.26Å |
| 62 | S | 83.5 | Confident | 77.5 | Confident | 70 Ų | 70 | 77 Ų | 77 | 49% | 0.49 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 175.9 | -169.4 | 0 | 0 | 0 | 0 | 111.9 | N58 K59 Y60 K65 T66 | N58-S62 WeakPolarHBondContact O-CB 3.32Å; N58-S62 PolarHBondContact O-N 3.08Å; K59-S62 PolarHBondContact O-N 3.05Å; Y60-S62 VanDerWaalsContact C-N 3.31Å; Y60-S62 PolarHBondContact O-N 3.09Å; S62-K65 PolarHBondContact O-N 2.82Å; S62-T66 PolarHBondContact O-N 2.88Å; S62-T66 PolarHBondContact O-OG1 2.96Å |
| 63 | M | 85.2 | Confident | 75.9 | Confident | 32 Ų | 32 | 84.1 Ų | 84.1 | 16% | 0.158 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 174.3 | -69.7 | 175.1 | 65.2 | 0 | 0 | 111.3 | K59 Y60 K65 T66 H67 P325 V340 E342 | K59-M63 HydrophobicContact CG-SD 4.19Å; K59-M63 WeakPolarHBondContact O-CG 3.42Å; K59-M63 PolarHBondContact O-N 3.23Å; Y60-M63 PolarHBondContact O-N 3.28Å; M63-K65 PolarHBondContact O-N 2.67Å; M63-T66 PolarHBondContact O-N 2.81Å; M63-H67 VanDerWaalsContact O-CB 3.27Å; M63-H67 WeakPolarHBondContact O-CB 3.37Å; M63-H67 PolarHBondContact O-N 3.25Å; M63-P325 HydrophobicContact CB-CB 4.22Å; M63-P325 HydrophobicContact CB-CG 4.42Å; M63-P325 HydrophobicContact CE-CB 4.41Å; M63-V340 HydrophobicContact CE-CG1 4.09Å; M63-V340 HydrophobicContact SD-CB 4.39Å; M63-V340 HydrophobicContact SD-CG1 3.53Å; M63-V340 VanDerWaalsContact SD-CG1 3.53Å; M63-E342 HydrophobicContact CE-CB 4.02Å; M63-E342 HydrophobicContact CE-CG 3.57Å |
| 64 | L | 72.8 | Confident | 74 | Confident | 38 Ų | 38 | 85.9 Ų | 85.9 | 20% | 0.199 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.4 | -44.9 | 174.8 | -74.9 | 178.6 | 0 | 0 | 0 | 113 | Y60 L61 T66 H67 H68 P325 | Y60-L64 HydrophobicContact CD1-CD1 3.96Å; Y60-L64 HydrophobicContact CD2-CG 4.49Å; Y60-L64 HydrophobicContact CE1-CD1 3.45Å; Y60-L64 VanDerWaalsContact CE1-CD1 3.45Å; Y60-L64 HydrophobicContact CE1-CG 4.16Å; Y60-L64 HydrophobicContact CE2-CD1 4.29Å; Y60-L64 HydrophobicContact CE2-CD2 4.25Å; Y60-L64 HydrophobicContact CE2-CG 4.11Å; Y60-L64 WeakPolarHBondContact O-CG 3.45Å; Y60-L64 PolarHBondContact O-N 2.97Å; L61-L64 HydrophobicContact CD2-CD1 4.49Å; L61-L64 PolarHBondContact O-N 3.11Å; L64-T66 VanDerWaalsContact C-N 3.33Å; L64-T66 PolarHBondContact O-N 3.29Å; L64-H67 PolarHBondContact O-N 3.23Å; L64-H68 WeakPolarHBondContact O-CB 3.38Å; L64-H68 PolarHBondContact O-N 3.44Å; L64-P325 HydrophobicContact CD2-CB 4.35Å; L64-P325 HydrophobicContact CD2-CG 4.3Å |
| 65 | K | 71.2 | Confident | 72 | Confident | 159 Ų | 159 | 86.4 Ų | 86.4 | 69% | 0.691 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.8 | -45 | 176.3 | -75.3 | 177.6 | -177.9 | -178.7 | 0 | 111.4 | L61 S62 M63 H68 S69 | L61-K65 WeakPolarHBondContact O-CG 3.35Å; L61-K65 PolarHBondContact O-N 3.26Å; S62-K65 PolarHBondContact O-N 2.82Å; M63-K65 PolarHBondContact O-N 2.67Å; K65-H68 PolarHBondContact O-N 2.71Å; K65-S69 WeakPolarHBondContact O-CB 3.42Å; K65-S69 PolarHBondContact O-N 3.14Å |
| 66 | T | 78.9 | Confident | 69.7 | Low | 50 Ų | 50 | 85.2 Ų | 85.2 | 31% | 0.307 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 178.6 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | S62 M63 L64 H68 S69 R70 | S62-T66 PolarHBondContact O-N 2.88Å; S62-T66 PolarHBondContact O-OG1 2.96Å; M63-T66 PolarHBondContact O-N 2.81Å; L64-T66 VanDerWaalsContact C-N 3.33Å; L64-T66 PolarHBondContact O-N 3.29Å; T66-H68 PolarHBondContact O-N 2.93Å; T66-S69 PolarHBondContact O-N 3.44Å; T66-S69 PolarHBondContact O-OG 3.26Å; T66-R70 HydrophobicContact CG2-CG 4.48Å; T66-R70 WeakPolarHBondContact O-CG 3.42Å; T66-R70 PolarHBondContact O-N 3.01Å |
| 67 | H | 75.3 | Confident | 67.5 | Low | 9 Ų | 9 | 85.7 Ų | 85.7 | 4% | 0.042 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -55.9 | -49.8 | 175.4 | 170.4 | -107.3 | 0 | 0 | 0 | 111.9 | M63 L64 S69 R70 R71 P323 P325 | M63-H67 VanDerWaalsContact O-CB 3.27Å; M63-H67 WeakPolarHBondContact O-CB 3.37Å; M63-H67 PolarHBondContact O-N 3.25Å; L64-H67 PolarHBondContact O-N 3.23Å; H67-S69 VanDerWaalsContact C-N 3.34Å; H67-S69 PolarHBondContact O-N 3.18Å; H67-R70 PolarHBondContact O-N 2.9Å; H67-R71 PolarHBondContact O-N 3.43Å; H67-P323 PolarHBondContact CD2-O 2.96Å; H67-P323 PolarHBondContact NE2-O 3.45Å; H67-P325 HydrophobicContact CB-CG 3.84Å |
| 68 | H | 67.4 | Low | 65.6 | Low | 102 Ų | 102 | 84.7 Ų | 84.7 | 47% | 0.472 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 176.3 | -70.7 | 173.8 | 0 | 0 | 0 | 112.5 | L64 K65 T66 R71 R72 | L64-H68 WeakPolarHBondContact O-CB 3.38Å; L64-H68 PolarHBondContact O-N 3.44Å; K65-H68 PolarHBondContact O-N 2.71Å; T66-H68 PolarHBondContact O-N 2.93Å; H68-R71 PolarHBondContact O-N 3.34Å; H68-R72 WeakPolarHBondContact O-CB 3.45Å; H68-R72 WeakPolarHBondContact O-CG 3.2Å; H68-R72 PolarHBondContact O-N 2.92Å |
| 69 | S | 65.4 | Low | 63.7 | Low | 50 Ų | 50 | 83.1 Ų | 83.1 | 35% | 0.35 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 176.1 | 81.3 | 0 | 0 | 0 | 0 | 112.2 | K65 T66 H67 R72 R73 | K65-S69 WeakPolarHBondContact O-CB 3.42Å; K65-S69 PolarHBondContact O-N 3.14Å; T66-S69 PolarHBondContact O-N 3.44Å; T66-S69 PolarHBondContact O-OG 3.26Å; H67-S69 VanDerWaalsContact C-N 3.34Å; H67-S69 PolarHBondContact O-N 3.18Å; S69-R72 PolarHBondContact O-N 3.38Å; S69-R73 WeakPolarHBondContact O-CB 3.3Å; S69-R73 WeakPolarHBondContact O-CG 3.29Å; S69-R73 PolarHBondContact O-N 3.21Å |
| 70 | R | 69.4 | Low | 61.2 | Low | 97 Ų | 97 | 82.8 Ų | 82.8 | 37% | 0.366 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.4 | -44.7 | 176.5 | -72.7 | 175.3 | -175.9 | 161.3 | 1.1 | 110.6 | T66 H67 R73 R74 E342 | T66-R70 HydrophobicContact CG2-CG 4.48Å; T66-R70 WeakPolarHBondContact O-CG 3.42Å; T66-R70 PolarHBondContact O-N 3.01Å; H67-R70 PolarHBondContact O-N 2.9Å; R70-R73 CarbonylContact O-C 3.56Å; R70-R73 PolarHBondContact O-N 3.1Å; R70-R73 VanDerWaalsContact O-N 3.14Å; R70-R74 WeakPolarHBondContact O-CB 3.48Å; R70-R74 VanDerWaalsContact O-CG 3.28Å; R70-R74 WeakPolarHBondContact O-CG 3.29Å; R70-R74 PolarHBondContact O-N 3.4Å; R70-E342 IonicContact NH1-OE1 2.7Å; R70-E342 PolarHBondContact NH1-OE1 2.75Å; R70-E342 IonicContact NH1-OE2 3.9Å; R70-E342 PolarHBondContact NH1-OE2 3.41Å |
| 71 | R | 64.1 | Low | 59.4 | Low | 66 Ų | 66 | 84.7 Ų | 84.7 | 25% | 0.249 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.6 | -46 | 175.1 | -108.1 | -176.7 | 159.8 | -162 | -19.4 | 112.4 | H67 H68 R73 R74 S75 S322 E349 | H67-R71 PolarHBondContact O-N 3.43Å; H68-R71 PolarHBondContact O-N 3.34Å; R71-R73 VanDerWaalsContact C-N 3.25Å; R71-R73 PolarHBondContact O-N 2.99Å; R71-R74 PolarHBondContact O-N 3.04Å; R71-S75 PolarHBondContact O-N 3.45Å; R71-S75 PolarHBondContact O-OG 3.49Å; R71-S322 PolarHBondContact NE-OG 3.17Å; R71-E349 IonicContact CZ-OE1 2.99Å; R71-E349 IonicContact NE-OE1 3.32Å; R71-E349 PolarHBondContact NE-OE1 2.79Å; R71-E349 IonicContact NH2-OE1 2.91Å; R71-E349 PolarHBondContact NH2-OE1 3.43Å; R71-E349 IonicContact NH2-OE2 3.45Å |
| 72 | R | 56.3 | Low | 57.8 | Low | 195 Ų | 195 | 84.4 Ų | 84.4 | 74% | 0.736 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -63.2 | -28.9 | 174.5 | -74.2 | -177.5 | -168.4 | -179.7 | 2.7 | 113.5 | H68 S69 S75 | H68-R72 WeakPolarHBondContact O-CB 3.45Å; H68-R72 WeakPolarHBondContact O-CG 3.2Å; H68-R72 PolarHBondContact O-N 2.92Å; S69-R72 PolarHBondContact O-N 3.38Å; R72-S75 PolarHBondContact O-OG 3.21Å |
| 73 | R | 48.4 | Very low | 55.8 | Low | 196 Ų | 196 | 82.7 Ų | 82.7 | 74% | 0.74 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -81 | -35.3 | 174 | -74.4 | 179.7 | -177.9 | -169.8 | 1.6 | 112.5 | S69 R70 R71 L76 | S69-R73 WeakPolarHBondContact O-CB 3.3Å; S69-R73 WeakPolarHBondContact O-CG 3.29Å; S69-R73 PolarHBondContact O-N 3.21Å; R70-R73 CarbonylContact O-C 3.56Å; R70-R73 PolarHBondContact O-N 3.1Å; R70-R73 VanDerWaalsContact O-N 3.14Å; R71-R73 VanDerWaalsContact C-N 3.25Å; R71-R73 PolarHBondContact O-N 2.99Å; R73-L76 PolarHBondContact O-N 2.82Å; R73-L76 VanDerWaalsContact O-O 3.06Å |
| 74 | R | 49.6 | Very low | 53.8 | Low | 88 Ų | 88 | 91.2 Ų | 91.2 | 33% | 0.332 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -77.2 | -26.7 | -179.9 | -73.7 | 179 | -166.2 | -176.5 | 1.3 | 113.5 | R70 R71 L76 | R70-R74 WeakPolarHBondContact O-CB 3.48Å; R70-R74 VanDerWaalsContact O-CG 3.28Å; R70-R74 WeakPolarHBondContact O-CG 3.29Å; R70-R74 PolarHBondContact O-N 3.4Å; R71-R74 PolarHBondContact O-N 3.04Å; R74-L76 CarbonylContact O-C 3.55Å; R74-L76 PolarHBondContact O-N 3.46Å |
| 75 | S | 43.4 | Very low | 52.1 | Low | 81 Ų | 81 | 92.5 Ų | 92.5 | 57% | 0.566 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -12.5 | 167.7 | 54.9 | 0 | 0 | 0 | 0 | 112.9 | R71 R72 | R71-S75 PolarHBondContact O-N 3.45Å; R71-S75 PolarHBondContact O-OG 3.49Å; R72-S75 PolarHBondContact O-OG 3.21Å |
| 76 | L | 41.4 | Very low | 50.7 | Low | 107 Ų | 107 | 86.2 Ų | 86.2 | 56% | 0.56 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -103.4 | 107.7 | 165.1 | -68 | 158.3 | 0 | 0 | 0 | 107.9 | R73 R74 | R73-L76 PolarHBondContact O-N 2.82Å; R73-L76 VanDerWaalsContact O-O 3.06Å; R74-L76 CarbonylContact O-C 3.55Å; R74-L76 PolarHBondContact O-N 3.46Å |
| 77 | P | 39.7 | Very low | 49 | Very low | 29 Ų | 29 | 88.8 Ų | 88.8 | 19% | 0.188 | 47% | 0.465 | C | S | . | . | trans | -57.7 | 145.3 | 176.2 | 20.1 | -25.7 | 0 | 0 | 0 | 111 | L79 I82 | P77-L79 PolarHBondContact O-N 2.92Å; P77-I82 HydrophobicContact CB-CD1 4.18Å | ||
| 78 | S | 38.3 | Very low | 47.6 | Very low | 100 Ų | 100 | 90 Ų | 90 | 70% | 0.699 | 48% | 0.48 | S | S | * | . | trans | -64.1 | 98.7 | 171.8 | 158 | 0 | 0 | 0 | 0 | 110 | V80 | S78-V80 PolarHBondContact O-N 2.96Å; S78-V80 VanDerWaalsContact O-N 3.07Å | ||
| 79 | L | 42.8 | Very low | 46.7 | Very low | 71 Ų | 71 | 89.2 Ų | 89.2 | 37% | 0.372 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -49.9 | -29.2 | -174.7 | -70.8 | 166.2 | 0 | 0 | 0 | 115.7 | P77 G81 I82 L83 T121 | P77-L79 PolarHBondContact O-N 2.92Å; L79-G81 VanDerWaalsContact C-N 3.31Å; L79-G81 PolarHBondContact O-N 3.12Å; L79-I82 PolarHBondContact O-N 3.16Å; L79-L83 HydrophobicContact CB-CD1 3.88Å; L79-L83 WeakPolarHBondContact O-CB 3.44Å; L79-L83 VanDerWaalsContact O-CD1 3.23Å; L79-L83 WeakPolarHBondContact O-CD1 3.34Å; L79-L83 WeakPolarHBondContact O-CG 3.44Å; L79-L83 PolarHBondContact O-N 3.12Å; L79-T121 VanDerWaalsContact CD1-O 3.3Å; L79-T121 WeakPolarHBondContact CD1-O 3.3Å; L79-T121 HydrophobicContact CD2-CG2 3.91Å; L79-T121 WeakPolarHBondContact CD2-O 3.35Å |
| 80 | V | 37.3 | Very low | 45.9 | Very low | 99 Ų | 99 | 90.4 Ų | 90.4 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.2 | -23.1 | -170.8 | -179.2 | 0 | 0 | 0 | 0 | 114.2 | S78 R84 | S78-V80 PolarHBondContact O-N 2.96Å; S78-V80 VanDerWaalsContact O-N 3.07Å; V80-R84 PolarHBondContact O-NH1 3.18Å |
| 81 | G | 41.4 | Very low | 45.6 | Very low | 62 Ų | 62 | 90 Ų | 90 | 64% | 0.639 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -86.7 | -33.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L79 | L79-G81 VanDerWaalsContact C-N 3.31Å; L79-G81 PolarHBondContact O-N 3.12Å |
| 82 | I | 41.1 | Very low | 46.1 | Very low | 71 Ų | 71 | 87 Ų | 87 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -84.9 | -35.4 | -175.5 | -62.7 | 171.8 | 0 | 0 | 0 | 110.9 | P77 L79 R84 G85 V86 L248 | P77-I82 HydrophobicContact CB-CD1 4.18Å; L79-I82 PolarHBondContact O-N 3.16Å; I82-R84 PolarHBondContact O-N 3.2Å; I82-R84 VanDerWaalsContact O-N 3.08Å; I82-G85 PolarHBondContact O-N 2.84Å; I82-V86 HydrophobicContact CG2-CG2 3.92Å; I82-L248 HydrophobicContact CG2-CD1 4.11Å |
| 83 | L | 42.2 | Very low | 47.1 | Very low | 34 Ų | 34 | 80.6 Ų | 80.6 | 18% | 0.178 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -8.1 | -174.3 | -69.5 | 171.1 | 0 | 0 | 0 | 115.7 | L79 M122 Y246 | L79-L83 HydrophobicContact CB-CD1 3.88Å; L79-L83 WeakPolarHBondContact O-CB 3.44Å; L79-L83 VanDerWaalsContact O-CD1 3.23Å; L79-L83 WeakPolarHBondContact O-CD1 3.34Å; L79-L83 WeakPolarHBondContact O-CG 3.44Å; L79-L83 PolarHBondContact O-N 3.12Å; L83-M122 HydrophobicContact CD1-CB 3.9Å; L83-M122 HydrophobicContact CD1-CG 4.39Å; L83-M122 HydrophobicContact CD1-SD 3.56Å; L83-M122 VanDerWaalsContact CD1-SD 3.56Å; L83-M122 HydrophobicContact CD2-CB 4.2Å; L83-Y246 VanDerWaalsContact CD2-CB 3.44Å; L83-Y246 HydrophobicContact CD2-CD1 4Å; L83-Y246 HydrophobicContact CD2-CG 3.76Å |
| 84 | R | 42.9 | Very low | 48.7 | Very low | 212 Ų | 212 | 71.3 Ų | 71.3 | 80% | 0.8 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -12.2 | 174.3 | -71.3 | -168.5 | 175.1 | 95.1 | -4.2 | 113.9 | V80 I82 | V80-R84 PolarHBondContact O-NH1 3.18Å; I82-R84 PolarHBondContact O-N 3.2Å; I82-R84 VanDerWaalsContact O-N 3.08Å |
| 85 | G | 37.6 | Very low | 50.4 | Low | 65 Ų | 65 | 73.1 Ų | 73.1 | 67% | 0.67 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | -13.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | I82 | I82-G85 PolarHBondContact O-N 2.84Š|
| 86 | V | 42.1 | Very low | 52.4 | Low | 27 Ų | 27 | 71.5 Ų | 71.5 | 16% | 0.164 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -88.5 | 118.7 | 179.1 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | I82 G88 | I82-V86 HydrophobicContact CG2-CG2 3.92Å; V86-G88 PolarHBondContact O-N 3.33Å; V86-G88 VanDerWaalsContact O-N 3.16Å |
| 87 | P | 43.3 | Very low | 54.4 | Low | 104 Ų | 104 | 70.2 Ų | 70.2 | 68% | 0.675 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 120.8 | 171.3 | 24.9 | -29.9 | 0 | 0 | 0 | 108.1 | N89 | P87-N89 PolarHBondContact O-N 3.32Š|
| 88 | G | 44.5 | Very low | 56.4 | Low | 34 Ų | 34 | 72.3 Ų | 72.3 | 35% | 0.351 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 130.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | V86 A90 | V86-G88 PolarHBondContact O-N 3.33Å; V86-G88 VanDerWaalsContact O-N 3.16Å; G88-A90 PolarHBondContact O-N 2.89Å |
| 89 | N | 49.6 | Very low | 58.5 | Low | 85 Ų | 85 | 69.6 Ų | 69.6 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 115.7 | 174.6 | -80 | -32.9 | 0 | 0 | 0 | 107.8 | P87 T247 | P87-N89 PolarHBondContact O-N 3.32Å; N89-T247 PolarHBondContact ND2-OG1 3.16Å |
| 90 | A | 48.5 | Very low | 60.4 | Low | 76 Ų | 76 | 71 Ų | 71 | 63% | 0.628 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 15.8 | 123.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | G88 I92 | G88-A90 PolarHBondContact O-N 2.89Å; A90-I92 PolarHBondContact O-N 2.77Å; A90-I92 VanDerWaalsContact O-N 3.09Å |
| 91 | D | 62.6 | Low | 62.4 | Low | 87 Ų | 87 | 69.6 Ų | 69.6 | 47% | 0.465 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -36 | 107.1 | 171 | -59.7 | -47.6 | 0 | 0 | 0 | 113.2 | S93 E242 I244 | D91-S93 PolarHBondContact O-N 3.44Å; D91-E242 HydrophobicContact CB-CG 4.23Å; D91-I244 WeakPolarHBondContact OD1-CG1 3.22Å |
| 92 | I | 74 | Confident | 64.6 | Low | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.026 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 101.4 | 170.3 | -57.3 | 172.7 | 0 | 0 | 0 | 106.3 | A90 G94 F108 D109 M110 R113 L243 L245 | A90-I92 PolarHBondContact O-N 2.77Å; A90-I92 VanDerWaalsContact O-N 3.09Å; I92-G94 PolarHBondContact O-N 2.79Å; I92-F108 HydrophobicContact CG2-CB 4.33Å; I92-F108 HydrophobicContact CG2-CD1 4.14Å; I92-D109 WeakPolarHBondContact CG2-O 3.37Å; I92-M110 HydrophobicContact CD1-CE 4.37Å; I92-M110 HydrophobicContact CD1-SD 3.94Å; I92-R113 HydrophobicContact CD1-CB 3.72Å; I92-R113 HydrophobicContact CD1-CG 3.9Å; I92-R113 HydrophobicContact CG1-CB 4.34Å; I92-R113 HydrophobicContact CG1-CG 4.14Å; I92-L243 HydrophobicContact CB-CB 4.15Å; I92-L243 HydrophobicContact CB-CD2 4.49Å; I92-L243 WeakPolarHBondContact CB-O 3.43Å; I92-L243 HydrophobicContact CD1-CD2 4.12Å; I92-L243 PolarHBondContact N-O 3.34Å; I92-L243 PolarHBondContact O-N 3.05Å; I92-L245 HydrophobicContact CD1-CD1 3.43Å; I92-L245 VanDerWaalsContact CD1-CD1 3.43Å; I92-L245 HydrophobicContact CD1-CG 3.7Å |
| 93 | S | 78.4 | Confident | 67 | Low | 59 Ų | 59 | 70.5 Ų | 70.5 | 41% | 0.413 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 116.6 | 175.3 | 68.6 | 0 | 0 | 0 | 0 | 109.5 | D91 | D91-S93 PolarHBondContact O-N 3.44Å |
| 94 | G | 82.8 | Confident | 69.3 | Low | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.01 | 39% | 0.39 | C | S | . | . | trans | -86.7 | 176.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I92 V107 P241 | I92-G94 PolarHBondContact O-N 2.79Å; G94-V107 CarbonylContact C-O 3.57Å; G94-V107 WeakPolarHBondContact CA-O 3.34Å; G94-P241 PolarHBondContact N-O 2.78Å; G94-P241 WeakPolarHBondContact O-CD 3.45Å | ||
| 95 | E | 85.2 | Confident | 71.6 | Confident | 126 Ų | 126 | 60.5 Ų | 60.5 | 59% | 0.589 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.3 | 172.1 | -61.3 | -170.9 | 162.8 | 0 | 0 | 110.2 | M106 V107 | E95-M106 CarbonylContact O-C 3.54Å; E95-M106 VanDerWaalsContact O-CA 3.27Å; E95-M106 WeakPolarHBondContact O-CA 3.38Å; E95-V107 HydrophobicContact CB-CG1 3.98Å; E95-V107 PolarHBondContact N-O 3.45Å; E95-V107 PolarHBondContact O-N 3.03Å |
| 96 | Y | 84.3 | Confident | 74.1 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 18% | 0.184 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 125 | 172.5 | -64.4 | -82.6 | 0 | 0 | 0 | 109.8 | L104 R105 M106 L238 G239 P241 | Y96-L104 HydrophobicContact CD1-CB 4.43Å; Y96-L104 HydrophobicContact CE1-CB 4.31Å; Y96-L104 HydrophobicContact CE1-CD2 3.92Å; Y96-R105 CarbonylContact C-O 3.37Å; Y96-R105 WeakPolarHBondContact CA-O 3.39Å; Y96-M106 HydrophobicContact CD1-CG 3.52Å; Y96-M106 HydrophobicContact CD1-SD 4.29Å; Y96-M106 HydrophobicContact CE1-CG 3.52Å; Y96-M106 HydrophobicContact CE1-SD 3.66Å; Y96-M106 HydrophobicContact CG-CG 4.43Å; Y96-L238 HydrophobicContact CD2-CB 3.72Å; Y96-L238 HydrophobicContact CD2-CD1 4.34Å; Y96-L238 HydrophobicContact CE2-CB 3.6Å; Y96-L238 HydrophobicContact CG-CD1 4.5Å; Y96-G239 WeakPolarHBondContact CE2-O 3.11Å; Y96-G239 PolarHBondContact OH-O 2.7Å; Y96-P241 HydrophobicContact CE2-CG 4.46Å |
| 97 | V | 83.3 | Confident | 76.4 | Confident | 80 Ų | 80 | 57.5 Ų | 57.5 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -42 | 168.4 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | R105 V107 | V97-R105 HydrophobicContact CB-CB 4.3Å; V97-R105 HydrophobicContact CB-CG 4.11Å; V97-R105 HydrophobicContact CG2-CG 4.27Å; V97-R105 PolarHBondContact N-O 3.25Å; V97-V107 HydrophobicContact CG2-CB 3.96Å; V97-V107 HydrophobicContact CG2-CG1 3.91Å |
| 98 | Y | 83 | Confident | 78.6 | Confident | 73 Ų | 73 | 52.5 Ų | 52.5 | 29% | 0.286 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 156.2 | 169.7 | 74.3 | -92.2 | 0 | 0 | 0 | 110 | R103 R105 E207 | Y98-R103 HydrophobicContact CE2-CB 3.82Å; Y98-R105 HydrophobicContact CD1-CB 3.51Å; Y98-R105 HydrophobicContact CD1-CG 4.41Å; Y98-R105 HydrophobicContact CE1-CB 3.22Å; Y98-R105 HydrophobicContact CE1-CG 4.09Å; Y98-R105 HydrophobicContact CG-CB 4.33Å; Y98-R105 PolarHBondContact O-N 3.45Å; Y98-E207 PolarHBondContact OH-OE1 3.35Å |
| 99 | S | 81.8 | Confident | 80.7 | Confident | 43 Ų | 43 | 55.1 Ų | 55.1 | 30% | 0.301 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 112.7 | -179.5 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | ||
| 100 | D | 82.2 | Confident | 82.2 | Confident | 100 Ų | 100 | 51.2 Ų | 51.2 | 54% | 0.535 | 28% | 0.279 | S | S | . | . | trans | -112.4 | 169.4 | 172.8 | -70.3 | -33.9 | 0 | 0 | 0 | 110.3 | T102 R103 | D100-T102 PolarHBondContact O-N 3.04Å; D100-R103 PolarHBondContact N-O 2.94Å; D100-R103 PolarHBondContact O-N 3.48Å | ||
| 101 | T | 80.6 | Confident | 83.4 | Confident | 70 Ų | 70 | 53.2 Ų | 53.2 | 43% | 0.429 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -60.9 | -18.7 | 176.8 | 59.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 102 | T | 86.5 | Confident | 83.6 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 31% | 0.307 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -121.5 | -13.4 | -177.2 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | D100 W209 I210 R224 | D100-T102 PolarHBondContact O-N 3.04Å; T102-W209 WeakPolarHBondContact O-CA 3.01Å; T102-I210 PolarHBondContact O-N 3.18Å; T102-R224 HydrophobicContact CG2-CG 3.96Å |
| 103 | R | 90.8 | Very high | 83.6 | Confident | 103 Ų | 103 | 59.4 Ų | 59.4 | 39% | 0.389 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 130.5 | -173.9 | -72.9 | -172.3 | 178.2 | 176.9 | -1.5 | 111.2 | Y98 D100 V208 | Y98-R103 HydrophobicContact CE2-CB 3.82Å; D100-R103 PolarHBondContact N-O 2.94Å; D100-R103 PolarHBondContact O-N 3.48Å; R103-V208 CarbonylContact C-O 3.58Å; R103-V208 VanDerWaalsContact CA-O 3.24Å; R103-V208 WeakPolarHBondContact CA-O 3.38Å |
| 104 | L | 90.8 | Very high | 83.4 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 121.9 | 174.2 | -52.3 | 92.6 | 0 | 0 | 0 | 108.4 | Y96 E207 V208 I210 F228 | Y96-L104 HydrophobicContact CD1-CB 4.43Å; Y96-L104 HydrophobicContact CE1-CB 4.31Å; Y96-L104 HydrophobicContact CE1-CD2 3.92Å; L104-E207 CarbonylContact O-C 3.53Å; L104-E207 VanDerWaalsContact O-CA 3.31Å; L104-E207 WeakPolarHBondContact O-CA 3Å; L104-V208 HydrophobicContact CB-CB 4.25Å; L104-V208 HydrophobicContact CD1-CB 4.01Å; L104-V208 HydrophobicContact CD1-CG1 4.02Å; L104-V208 PolarHBondContact N-O 3.16Å; L104-V208 PolarHBondContact O-N 2.61Å; L104-I210 HydrophobicContact CD1-CD1 3.9Å; L104-I210 HydrophobicContact CD1-CG1 4.44Å; L104-F228 HydrophobicContact CD1-CD2 4.23Å; L104-F228 HydrophobicContact CD2-CB 4.4Å |
| 105 | R | 90.9 | Very high | 82.8 | Confident | 29 Ų | 29 | 61.1 Ų | 61.1 | 11% | 0.109 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.5 | 172.8 | -175.9 | 172.8 | 179.1 | 168.4 | 0 | 109.8 | Y96 V97 Y98 N165 E207 | Y96-R105 CarbonylContact C-O 3.37Å; Y96-R105 WeakPolarHBondContact CA-O 3.39Å; V97-R105 HydrophobicContact CB-CB 4.3Å; V97-R105 HydrophobicContact CB-CG 4.11Å; V97-R105 HydrophobicContact CG2-CG 4.27Å; V97-R105 PolarHBondContact N-O 3.25Å; Y98-R105 HydrophobicContact CD1-CB 3.51Å; Y98-R105 HydrophobicContact CD1-CG 4.41Å; Y98-R105 HydrophobicContact CE1-CB 3.22Å; Y98-R105 HydrophobicContact CE1-CG 4.09Å; Y98-R105 HydrophobicContact CG-CB 4.33Å; Y98-R105 PolarHBondContact O-N 3.45Å; R105-N165 PolarHBondContact NH1-ND2 3.29Å; R105-N165 VanDerWaalsContact NH1-ND2 3.2Å; R105-E207 HydrophobicContact CB-CG 4.38Å |
| 106 | M | 91.1 | Very high | 82 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 146.7 | -175.7 | -62.4 | 168.1 | -76.6 | 0 | 0 | 109.6 | E95 Y96 F108 L125 L127 H205 L206 V208 P241 | E95-M106 CarbonylContact O-C 3.54Å; E95-M106 VanDerWaalsContact O-CA 3.27Å; E95-M106 WeakPolarHBondContact O-CA 3.38Å; Y96-M106 HydrophobicContact CD1-CG 3.52Å; Y96-M106 HydrophobicContact CD1-SD 4.29Å; Y96-M106 HydrophobicContact CE1-CG 3.52Å; Y96-M106 HydrophobicContact CE1-SD 3.66Å; Y96-M106 HydrophobicContact CG-CG 4.43Å; M106-F108 HydrophobicContact CB-CE2 3.73Å; M106-F108 HydrophobicContact CB-CZ 4.1Å; M106-L125 HydrophobicContact CE-CD1 4.49Å; M106-L125 HydrophobicContact CE-CD2 3.9Å; M106-L127 HydrophobicContact CE-CD2 4.48Å; M106-L127 HydrophobicContact SD-CD2 4.03Å; M106-H205 WeakPolarHBondContact O-CA 3.29Å; M106-L206 PolarHBondContact N-O 2.86Å; M106-L206 PolarHBondContact O-N 3.32Å; M106-V208 HydrophobicContact CE-CB 4.4Å; M106-V208 HydrophobicContact CE-CG2 3.29Å; M106-P241 HydrophobicContact CB-CG 4.07Å; M106-P241 HydrophobicContact CG-CB 4.21Å; M106-P241 HydrophobicContact CG-CG 3.76Å; M106-P241 HydrophobicContact SD-CB 3.28Å; M106-P241 WeakPolarHBondContact SD-CB 3.5Å; M106-P241 HydrophobicContact SD-CG 3.53Å; M106-P241 VanDerWaalsContact SD-CG 3.53Å |
| 107 | V | 91.2 | Very high | 80.9 | Confident | 29 Ų | 29 | 64.6 Ų | 64.6 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 133.9 | 176 | 64.1 | 0 | 0 | 0 | 0 | 109.3 | G94 E95 V97 P203 M204 | G94-V107 CarbonylContact C-O 3.57Å; G94-V107 WeakPolarHBondContact CA-O 3.34Å; E95-V107 HydrophobicContact CB-CG1 3.98Å; E95-V107 PolarHBondContact N-O 3.45Å; E95-V107 PolarHBondContact O-N 3.03Å; V97-V107 HydrophobicContact CG2-CB 3.96Å; V97-V107 HydrophobicContact CG2-CG1 3.91Å; V107-P203 HydrophobicContact CG2-CB 3.51Å; V107-P203 HydrophobicContact CG2-CG 3.91Å; V107-M204 CarbonylContact C-O 3.49Å; V107-M204 WeakPolarHBondContact CA-O 3Å |
| 108 | F | 89.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.1 | -180 | -62.1 | -88 | 0 | 0 | 0 | 108.8 | I92 M106 M110 L125 P203 M204 L206 P241 L243 | I92-F108 HydrophobicContact CG2-CB 4.33Å; I92-F108 HydrophobicContact CG2-CD1 4.14Å; M106-F108 HydrophobicContact CB-CE2 3.73Å; M106-F108 HydrophobicContact CB-CZ 4.1Å; F108-M110 HydrophobicContact CB-CG 4.45Å; F108-M110 HydrophobicContact CB-SD 4.07Å; F108-M110 PolarHBondContact O-N 3.38Å; F108-L125 HydrophobicContact CE2-CD1 4.42Å; F108-L125 HydrophobicContact CZ-CD1 3.72Å; F108-P203 WeakPolarHBondContact O-CA 3.49Å; F108-M204 HydrophobicContact CB-CB 4.45Å; F108-M204 HydrophobicContact CD2-CE 4.3Å; F108-M204 PolarHBondContact N-O 2.83Å; F108-M204 PolarHBondContact O-N 2.59Å; F108-L206 HydrophobicContact CD2-CD1 4.34Å; F108-L206 HydrophobicContact CD2-CG 4.46Å; F108-L206 HydrophobicContact CE2-CB 4.25Å; F108-L206 HydrophobicContact CE2-CD1 3.85Å; F108-L206 HydrophobicContact CE2-CG 4.2Å; F108-P241 HydrophobicContact CE1-CB 4.3Å; F108-P241 HydrophobicContact CE1-CG 4.11Å; F108-P241 HydrophobicContact CZ-CB 3.97Å; F108-P241 HydrophobicContact CZ-CG 3.91Å; F108-L243 HydrophobicContact CB-CD2 4.31Å; F108-L243 HydrophobicContact CD1-CB 3.65Å; F108-L243 HydrophobicContact CD1-CD2 4.12Å; F108-L243 HydrophobicContact CE1-CB 3.53Å; F108-L243 HydrophobicContact CG-CB 4.39Å; F108-L243 HydrophobicContact CG-CD2 4.11Å; F108-L243 HydrophobicContact CZ-CB 4.19Å |
| 109 | D | 87 | Confident | 79.4 | Confident | 89 Ų | 89 | 62.1 Ų | 62.1 | 48% | 0.476 | 34% | 0.335 | S | S | . | . | trans | -79.3 | 115.9 | 167.7 | -175.8 | 7.9 | 0 | 0 | 0 | 109.2 | I92 E111 | I92-D109 WeakPolarHBondContact CG2-O 3.37Å; D109-E111 WeakPolarHBondContact OD1-CB 3.49Å; D109-E111 PolarHBondContact OD1-N 3.38Å | ||
| 110 | M | 81.1 | Confident | 78.9 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | trans | -105.7 | -0 | -174 | -59.7 | -67.4 | -70.7 | 0 | 0 | 111.7 | I92 F108 A112 R113 V191 W194 M204 L243 L245 | I92-M110 HydrophobicContact CD1-CE 4.37Å; I92-M110 HydrophobicContact CD1-SD 3.94Å; F108-M110 HydrophobicContact CB-CG 4.45Å; F108-M110 HydrophobicContact CB-SD 4.07Å; F108-M110 PolarHBondContact O-N 3.38Å; M110-A112 PolarHBondContact O-N 2.87Å; M110-R113 PolarHBondContact O-N 2.8Å; M110-V191 HydrophobicContact CE-CG1 4.09Å; M110-V191 HydrophobicContact CE-CG2 4.47Å; M110-W194 HydrophobicContact CB-CD2 4.31Å; M110-W194 HydrophobicContact CB-CE3 4.28Å; M110-W194 HydrophobicContact CB-CH2 3.23Å; M110-W194 HydrophobicContact CB-CZ2 3.24Å; M110-W194 HydrophobicContact CB-CZ3 3.76Å; M110-W194 HydrophobicContact CE-CE3 4.06Å; M110-W194 HydrophobicContact CE-CZ3 4.03Å; M110-W194 HydrophobicContact CG-CD2 4.25Å; M110-W194 HydrophobicContact CG-CE3 4.38Å; M110-W194 HydrophobicContact CG-CH2 4.17Å; M110-W194 HydrophobicContact CG-CZ2 4.01Å; M110-W194 HydrophobicContact CG-CZ3 4.32Å; M110-M204 HydrophobicContact CE-CE 4.4Å; M110-M204 HydrophobicContact CG-CB 3.73Å; M110-M204 HydrophobicContact SD-CB 4.42Å; M110-M204 HydrophobicContact SD-CE 4.18Å; M110-L243 HydrophobicContact CE-CD2 4.13Å; M110-L243 HydrophobicContact SD-CD2 3.63Å; M110-L245 HydrophobicContact CE-CD1 3.89Å; M110-L245 HydrophobicContact CE-CD2 4.49Å | ||
| 111 | E | 74.5 | Confident | 78 | Confident | 117 Ų | 117 | 56.5 Ų | 56.5 | 55% | 0.547 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 129 | 179.9 | -172.5 | 166.9 | -157.6 | 0 | 0 | 110.6 | D109 R113 | D109-E111 WeakPolarHBondContact OD1-CB 3.49Å; D109-E111 PolarHBondContact OD1-N 3.38Å; E111-R113 PolarHBondContact O-N 2.87Å |
| 112 | A | 66.4 | Low | 77.9 | Confident | 102 Ų | 102 | 55.1 Ų | 55.1 | 84% | 0.843 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 17.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | M110 | M110-A112 PolarHBondContact O-N 2.87Š|
| 113 | R | 75.3 | Confident | 77.8 | Confident | 121 Ų | 121 | 52.7 Ų | 52.7 | 46% | 0.457 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -25.5 | 178.7 | -61.1 | -57.3 | -176.2 | 179.6 | -3.1 | 113.9 | I92 M110 E111 | I92-R113 HydrophobicContact CD1-CB 3.72Å; I92-R113 HydrophobicContact CD1-CG 3.9Å; I92-R113 HydrophobicContact CG1-CB 4.34Å; I92-R113 HydrophobicContact CG1-CG 4.14Å; M110-R113 PolarHBondContact O-N 2.8Å; E111-R113 PolarHBondContact O-N 2.87Å |
| 114 | I | 73.1 | Confident | 77.6 | Confident | 37 Ų | 37 | 49.6 Ų | 49.6 | 19% | 0.19 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -99.3 | 114.1 | 171.6 | -58.2 | 172.6 | 0 | 0 | 0 | 106.6 | S118 V120 V191 W194 L245 T247 | I114-S118 WeakPolarHBondContact CG2-OG 3.37Å; I114-V120 HydrophobicContact CD1-CG2 3.49Å; I114-V120 VanDerWaalsContact CD1-CG2 3.49Å; I114-V120 HydrophobicContact CG1-CG2 3.89Å; I114-V120 HydrophobicContact CG2-CG2 4.2Å; I114-V191 HydrophobicContact CD1-CG1 4.37Å; I114-W194 HydrophobicContact CD1-CZ3 3.76Å; I114-L245 HydrophobicContact CG1-CD1 4.01Å; I114-T247 HydrophobicContact CG2-CG2 4.48Å |
| 115 | P | 71.4 | Confident | 77.6 | Confident | 59 Ų | 59 | 49.3 Ų | 49.3 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | trans | -56.6 | 149.7 | 176.9 | -24.6 | 32.7 | 0 | 0 | 0 | 112.4 | S118 | P115-S118 WeakPolarHBondContact CD-OG 3.37Å; P115-S118 WeakPolarHBondContact O-CB 3.48Å; P115-S118 PolarHBondContact O-N 3.19Å; P115-S118 PolarHBondContact O-OG 3.06Å | ||
| 116 | D | 66.6 | Low | 77.4 | Confident | 158 Ų | 158 | 50.6 Ų | 50.6 | 85% | 0.845 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 146.4 | 168.2 | -66.4 | -38.4 | 0 | 0 | 0 | 110 | S118 | D116-S118 PolarHBondContact O-N 3.48Š|
| 117 | N | 62 | Low | 77.2 | Confident | 87 Ų | 87 | 50.8 Ų | 50.8 | 47% | 0.465 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 30.9 | -178.9 | -154.7 | 18.2 | 0 | 0 | 0 | 113.8 | L250 E251 | N117-L250 WeakPolarHBondContact O-CB 3.16Å; N117-L250 VanDerWaalsContact O-CG 3.28Å; N117-L250 WeakPolarHBondContact O-CG 3.36Å; N117-L250 PolarHBondContact O-N 2.73Å; N117-E251 HydrophobicContact CB-CG 4.5Å; N117-E251 WeakPolarHBondContact ND2-CG 3.2Å; N117-E251 PolarHBondContact ND2-OE1 3.17Å |
| 118 | S | 65.9 | Low | 77 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 15% | 0.154 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 147.9 | 173.4 | 77 | 0 | 0 | 0 | 0 | 111.8 | I114 P115 D116 L248 | I114-S118 WeakPolarHBondContact CG2-OG 3.37Å; P115-S118 WeakPolarHBondContact CD-OG 3.37Å; P115-S118 WeakPolarHBondContact O-CB 3.48Å; P115-S118 PolarHBondContact O-N 3.19Å; P115-S118 PolarHBondContact O-OG 3.06Å; D116-S118 PolarHBondContact O-N 3.48Å; S118-L248 VanDerWaalsContact CA-O 3.28Å; S118-L248 WeakPolarHBondContact CA-O 3.35Å; S118-L248 WeakPolarHBondContact CB-O 3.47Å |
| 119 | E | 68.4 | Low | 76.9 | Confident | 80 Ų | 80 | 51.7 Ų | 51.7 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.8 | 174.7 | -176 | 176.7 | -170.9 | 0 | 0 | 109.8 | T121 T247 L248 L250 | E119-T121 PolarHBondContact O-N 2.99Å; E119-T247 CarbonylContact O-C 3.57Å; E119-T247 WeakPolarHBondContact O-CA 3.45Å; E119-L248 PolarHBondContact N-O 3.01Å; E119-L248 PolarHBondContact O-N 3.21Å; E119-L250 HydrophobicContact CB-CD2 4.22Å |
| 120 | V | 70.9 | Confident | 76.8 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 113.9 | 170.1 | 179 | 0 | 0 | 0 | 0 | 108.4 | I114 V191 H192 T247 | I114-V120 HydrophobicContact CD1-CG2 3.49Å; I114-V120 VanDerWaalsContact CD1-CG2 3.49Å; I114-V120 HydrophobicContact CG1-CG2 3.89Å; I114-V120 HydrophobicContact CG2-CG2 4.2Å; V120-V191 HydrophobicContact CB-CG1 4.34Å; V120-V191 HydrophobicContact CG1-CB 4.46Å; V120-V191 HydrophobicContact CG1-CG1 3.93Å; V120-V191 HydrophobicContact CG2-CG1 3.96Å; V120-H192 PolarHBondContact O-CE1 2.87Å; V120-T247 HydrophobicContact CG2-CG2 4.23Å |
| 121 | T | 65.3 | Low | 76.7 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 10% | 0.098 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -35.4 | -178.5 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | L79 E119 Y246 L248 | L79-T121 VanDerWaalsContact CD1-O 3.3Å; L79-T121 WeakPolarHBondContact CD1-O 3.3Å; L79-T121 HydrophobicContact CD2-CG2 3.91Å; L79-T121 WeakPolarHBondContact CD2-O 3.35Å; E119-T121 PolarHBondContact O-N 2.99Å; T121-Y246 PolarHBondContact N-O 3.23Å; T121-Y246 PolarHBondContact OG1-O 3.46Å; T121-L248 HydrophobicContact CG2-CB 3.5Å; T121-L248 VanDerWaalsContact CG2-CB 3.5Å; T121-L248 HydrophobicContact CG2-CD2 4.43Å; T121-L248 HydrophobicContact CG2-CG 4.48Å |
| 122 | M | 76.7 | Confident | 76.5 | Confident | 40 Ų | 40 | 50.5 Ų | 50.5 | 20% | 0.197 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 150.3 | 176 | -177.5 | 174.3 | -175.9 | 0 | 0 | 109 | L83 E124 T188 Y246 | L83-M122 HydrophobicContact CD1-CB 3.9Å; L83-M122 HydrophobicContact CD1-CG 4.39Å; L83-M122 HydrophobicContact CD1-SD 3.56Å; L83-M122 VanDerWaalsContact CD1-SD 3.56Å; L83-M122 HydrophobicContact CD2-CB 4.2Å; M122-E124 HydrophobicContact CE-CG 3.7Å; M122-E124 WeakPolarHBondContact CE-OE1 3.47Å; M122-T188 WeakPolarHBondContact CA-OG1 3.01Å; M122-Y246 HydrophobicContact CB-CD2 3.87Å; M122-Y246 HydrophobicContact CB-CG 4.32Å; M122-Y246 HydrophobicContact CG-CD2 4.04Å; M122-Y246 PolarHBondContact N-O 3.04Å; M122-Y246 PolarHBondContact O-N 2.58Å; M122-Y246 HydrophobicContact SD-CD2 4.45Å |
| 123 | A | 84.3 | Confident | 76.2 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 132.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V187 T188 V191 L243 I244 L245 | A123-V187 HydrophobicContact CB-CG2 3.88Å; A123-V187 PolarHBondContact O-N 2.73Å; A123-T188 PolarHBondContact N-OG1 3.2Å; A123-V191 HydrophobicContact CB-CB 4.38Å; A123-V191 HydrophobicContact CB-CG2 3.62Å; A123-L243 HydrophobicContact CB-CD1 4.41Å; A123-I244 CarbonylContact C-O 3.56Å; A123-I244 VanDerWaalsContact CA-O 3.27Å; A123-I244 WeakPolarHBondContact CA-O 3.25Å; A123-L245 HydrophobicContact CB-CD2 3.6Å |
| 124 | E | 86.8 | Confident | 75.3 | Confident | 37 Ų | 37 | 54 Ų | 54 | 17% | 0.173 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.3 | 175.6 | -67.7 | -165.7 | 163 | 0 | 0 | 111 | M122 S184 F185 I244 Y246 | M122-E124 HydrophobicContact CE-CG 3.7Å; M122-E124 WeakPolarHBondContact CE-OE1 3.47Å; E124-S184 WeakPolarHBondContact OE2-CB 3.33Å; E124-S184 PolarHBondContact OE2-OG 2.88Å; E124-F185 CarbonylContact C-O 3.55Å; E124-F185 VanDerWaalsContact CA-O 3.31Å; E124-F185 WeakPolarHBondContact CA-O 3.36Å; E124-I244 PolarHBondContact N-O 3.45Å; E124-I244 PolarHBondContact O-N 3.37Å; E124-Y246 HydrophobicContact CG-CE2 4.16Å |
| 125 | L | 90.5 | Very high | 74.1 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 117.5 | 163.4 | 175.4 | 66.7 | 0 | 0 | 0 | 108.3 | M106 F108 L127 I154 S184 F185 V187 L206 V208 P241 | M106-L125 HydrophobicContact CE-CD1 4.49Å; M106-L125 HydrophobicContact CE-CD2 3.9Å; F108-L125 HydrophobicContact CE2-CD1 4.42Å; F108-L125 HydrophobicContact CZ-CD1 3.72Å; L125-L127 HydrophobicContact CD1-CD2 4.32Å; L125-L127 HydrophobicContact CD2-CD1 4.14Å; L125-L127 HydrophobicContact CD2-CG 4.37Å; L125-L127 HydrophobicContact CG-CD1 4.44Å; L125-L127 HydrophobicContact CG-CD2 4.4Å; L125-L127 HydrophobicContact CG-CG 4.14Å; L125-I154 HydrophobicContact CD2-CD1 4Å; L125-I154 HydrophobicContact CD2-CG1 4.34Å; L125-S184 WeakPolarHBondContact O-CA 3.48Å; L125-F185 PolarHBondContact N-O 3.31Å; L125-F185 PolarHBondContact O-N 2.92Å; L125-V187 HydrophobicContact CB-CG1 3.77Å; L125-V187 HydrophobicContact CB-CG2 4.12Å; L125-L206 HydrophobicContact CD2-CD1 4.25Å; L125-V208 HydrophobicContact CD2-CG2 4.26Å; L125-P241 HydrophobicContact CD1-CB 4.38Å |
| 126 | K | 87.5 | Confident | 73 | Confident | 56 Ų | 56 | 68.7 Ų | 68.7 | 24% | 0.243 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.9 | 176.6 | -74.1 | -166.9 | -179 | 162.4 | 0 | 111 | W182 S184 E242 I244 | K126-W182 HydrophobicContact CB-CE3 3.98Å; K126-W182 HydrophobicContact CB-CZ3 4.07Å; K126-S184 WeakPolarHBondContact CE-OG 3.48Å; K126-E242 HydrophobicContact CB-CB 4.43Å; K126-E242 PolarHBondContact N-O 2.88Å; K126-I244 HydrophobicContact CD-CD1 3.51Å; K126-I244 HydrophobicContact CG-CD1 4.15Å |
| 127 | L | 87.3 | Confident | 72.2 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.9 | 176.1 | -60.1 | 173.9 | 0 | 0 | 0 | 109.1 | M106 L125 Q129 K183 F185 V208 F228 P241 | M106-L127 HydrophobicContact CE-CD2 4.48Å; M106-L127 HydrophobicContact SD-CD2 4.03Å; L125-L127 HydrophobicContact CD1-CD2 4.32Å; L125-L127 HydrophobicContact CD2-CD1 4.14Å; L125-L127 HydrophobicContact CD2-CG 4.37Å; L125-L127 HydrophobicContact CG-CD1 4.44Å; L125-L127 HydrophobicContact CG-CD2 4.4Å; L125-L127 HydrophobicContact CG-CG 4.14Å; L127-Q129 PolarHBondContact O-N 3.11Å; L127-K183 PolarHBondContact N-O 3.08Å; L127-K183 PolarHBondContact O-N 3.11Å; L127-F185 HydrophobicContact CD1-CD2 4.4Å; L127-F185 HydrophobicContact CD1-CE2 4.06Å; L127-V208 HydrophobicContact CD1-CG2 3.94Å; L127-F228 HydrophobicContact CB-CB 4.31Å; L127-F228 HydrophobicContact CB-CD1 3.46Å; L127-F228 VanDerWaalsContact CB-CD1 3.46Å; L127-F228 HydrophobicContact CB-CE1 3.83Å; L127-F228 HydrophobicContact CB-CG 3.9Å; L127-F228 HydrophobicContact CD1-CD1 4.34Å; L127-F228 HydrophobicContact CD1-CD2 4.13Å; L127-F228 HydrophobicContact CD1-CE1 4.43Å; L127-F228 HydrophobicContact CD1-CE2 4.22Å; L127-F228 HydrophobicContact CD1-CG 4.19Å; L127-F228 HydrophobicContact CD1-CZ 4.37Å; L127-P241 HydrophobicContact CD2-CB 4.07Å |
| 128 | Y | 85.9 | Confident | 71.5 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 19% | 0.188 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 112.2 | 175.8 | -176.2 | -96.1 | 0 | 0 | 0 | 110 | R130 T180 W182 F228 T229 Q231 | Y128-R130 HydrophobicContact CE1-CB 4.47Å; Y128-T180 HydrophobicContact CE1-CG2 4.07Å; Y128-T180 HydrophobicContact CE2-CG2 4.41Å; Y128-T180 WeakPolarHBondContact OH-CG2 3.44Å; Y128-W182 AromaticContact CD2-CD1 3.94Å; Y128-W182 AromaticContact CD2-CD2 3.89Å; Y128-W182 HydrophobicContact CD2-CD2 3.89Å; Y128-W182 AromaticContact CD2-CE2 3.77Å; Y128-W182 HydrophobicContact CD2-CG 4.02Å; Y128-W182 HydrophobicContact CD2-CZ2 4.34Å; Y128-W182 AromaticContact CD2-NE1 3.77Å; Y128-W182 HydrophobicContact CG-CD2 4.49Å; Y128-F228 CarbonylContact O-C 3.59Å; Y128-F228 VanDerWaalsContact O-CA 3.25Å; Y128-F228 WeakPolarHBondContact O-CA 3.08Å; Y128-T229 WeakPolarHBondContact CB-O 3.06Å; Y128-T229 HydrophobicContact CD1-CG2 4.22Å; Y128-T229 PolarHBondContact O-N 2.82Å; Y128-Q231 HydrophobicContact CE2-CG 4.42Å |
| 129 | Q | 87.5 | Confident | 70.7 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 129.1 | 173.2 | -179.8 | -178.6 | -9 | 0 | 0 | 109.1 | L127 P176 I177 E179 T180 G181 K183 V226 R227 F228 | L127-Q129 PolarHBondContact O-N 3.11Å; Q129-P176 PolarHBondContact NE2-O 2.03Å; Q129-I177 PolarHBondContact NE2-O 3.29Å; Q129-E179 VanDerWaalsContact CD-O 3.25Å; Q129-E179 WeakPolarHBondContact CG-O 3.31Å; Q129-E179 PolarHBondContact NE2-O 3.43Å; Q129-E179 VanDerWaalsContact NE2-O 3.16Å; Q129-T180 CarbonylContact O-C 3.45Å; Q129-T180 VanDerWaalsContact O-CA 3.3Å; Q129-T180 WeakPolarHBondContact O-CA 3.4Å; Q129-T180 WeakPolarHBondContact O-CG2 3.29Å; Q129-G181 PolarHBondContact N-O 3.28Å; Q129-G181 PolarHBondContact O-N 2.84Å; Q129-K183 HydrophobicContact CB-CG 4.12Å; Q129-V226 HydrophobicContact CG-CG1 4.48Å; Q129-R227 WeakPolarHBondContact CA-O 3.5Å; Q129-F228 HydrophobicContact CB-CD1 4.09Å; Q129-F228 HydrophobicContact CB-CE1 3.95Å |
| 130 | R | 84.8 | Confident | 70 | Confident | 132 Ų | 132 | 79.5 Ų | 79.5 | 50% | 0.498 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 122.8 | 169.1 | -175.1 | 172.4 | 179.9 | 177.8 | 0.6 | 109.1 | Y128 S132 R227 T229 | Y128-R130 HydrophobicContact CE1-CB 4.47Å; R130-S132 PolarHBondContact O-N 3.14Å; R130-R227 PolarHBondContact N-O 2.89Å; R130-T229 HydrophobicContact CB-CG2 3.5Å; R130-T229 HydrophobicContact CG-CG2 4.36Å |
| 131 | A | 79.1 | Confident | 69.3 | Low | 19 Ų | 19 | 86.1 Ų | 86.1 | 16% | 0.157 | 40% | 0.396 | C | S | . | . | trans | -60 | 124.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | H133 T180 | A131-H133 PolarHBondContact O-N 2.85Å; A131-T180 WeakPolarHBondContact CB-OG1 3.27Å; A131-T180 PolarHBondContact N-OG1 2.9Å | ||
| 132 | S | 71.3 | Confident | 68.8 | Low | 34 Ų | 34 | 95.8 Ų | 95.8 | 24% | 0.238 | 44% | 0.436 | C | S | . | . | trans | -69.4 | 120.1 | 171.8 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | R130 H134 | R130-S132 PolarHBondContact O-N 3.14Å; S132-H134 PolarHBondContact O-N 3.41Å; S132-H134 PolarHBondContact OG-N 3.32Å; S132-H134 PolarHBondContact OG-ND1 2.9Å | ||
| 133 | H | 60 | Low | 68.2 | Low | 183 Ų | 183 | 101 Ų | 101 | 85% | 0.847 | 47% | 0.465 | S | S | * | . | trans | -73 | 37.3 | 164.9 | -80.7 | -80.3 | 0 | 0 | 0 | 111.4 | A131 K135 | A131-H133 PolarHBondContact O-N 2.85Å; H133-K135 PolarHBondContact O-N 3.02Å | ||
| 134 | H | 55.8 | Low | 67.6 | Low | 113 Ų | 113 | 105.2 Ų | 105.2 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | trans | -59.4 | 113.5 | 161.5 | -82.8 | 5.6 | 0 | 0 | 0 | 106.4 | S132 R136 | S132-H134 PolarHBondContact O-N 3.41Å; S132-H134 PolarHBondContact OG-N 3.32Å; S132-H134 PolarHBondContact OG-ND1 2.9Å; H134-R136 PolarHBondContact O-N 3.39Å | ||
| 135 | K | 47.8 | Very low | 67.2 | Low | 192 Ų | 192 | 112.4 Ų | 112.4 | 84% | 0.835 | 51% | 0.51 | S | S | * | . | trans | -34.8 | 122.1 | 169.7 | -74.1 | 178.8 | 178.4 | 177.8 | 0 | 105.4 | H133 Y137 | H133-K135 PolarHBondContact O-N 3.02Å; K135-Y137 PolarHBondContact O-N 3.37Å | ||
| 136 | R | 49.4 | Very low | 66.9 | Low | 213 Ų | 213 | 116.8 Ų | 116.8 | 80% | 0.804 | 54% | 0.539 | S | S | * | . | trans | -33.1 | 111.4 | 171.7 | -74.4 | 177.9 | 176.4 | 174.1 | -1.9 | 106 | H134 T138 | H134-R136 PolarHBondContact O-N 3.39Å; R136-T138 HydrophobicContact CB-CG2 3.54Å; R136-T138 WeakPolarHBondContact CB-OG1 3.3Å; R136-T138 HydrophobicContact CG-CG2 4.31Å; R136-T138 PolarHBondContact O-N 2.93Å; R136-T138 PolarHBondContact O-OG1 3.36Å | ||
| 137 | Y | 49.8 | Very low | 66.8 | Low | 193 Ų | 193 | 114.3 Ų | 114.3 | 76% | 0.757 | 53% | 0.528 | S | S | * | . | trans | -65.3 | 74.3 | 167 | -100.1 | -90.7 | 0 | 0 | 0 | 104.4 | K135 V139 | K135-Y137 PolarHBondContact O-N 3.37Å; Y137-V139 VanDerWaalsContact C-N 3.27Å | ||
| 138 | T | 46.6 | Very low | 66.8 | Low | 111 Ų | 111 | 118.8 Ų | 118.8 | 68% | 0.681 | 55% | 0.552 | S | S | * | * | trans | -98.6 | 10 | -179.6 | 31 | 0 | 0 | 0 | 0 | 109.6 | R136 | R136-T138 HydrophobicContact CB-CG2 3.54Å; R136-T138 WeakPolarHBondContact CB-OG1 3.3Å; R136-T138 HydrophobicContact CG-CG2 4.31Å; R136-T138 PolarHBondContact O-N 2.93Å; R136-T138 PolarHBondContact O-OG1 3.36Å | ||
| 139 | V | 50 | Low | 67 | Low | 108 Ų | 108 | 118.7 Ų | 118.7 | 66% | 0.655 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -122.4 | 110.6 | 169.1 | -165.8 | 0 | 0 | 0 | 0 | 104.2 | Y137 | Y137-V139 VanDerWaalsContact C-N 3.27Š|
| 140 | E | 51.9 | Low | 67.3 | Low | 161 Ų | 161 | 118.7 Ų | 118.7 | 75% | 0.752 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 75.2 | 102.7 | 174.2 | -56 | 170.5 | -174.7 | 0 | 0 | 115.3 | ||
| 141 | K | 57 | Low | 67.8 | Low | 149 Ų | 149 | 116.6 Ų | 116.6 | 65% | 0.648 | 55% | 0.547 | S | S | * | . | -161.9 | 113 | 58.3 | -76.2 | 166.2 | 177.9 | 170 | 0 | 109.2 | N143 | K141-N143 PolarHBondContact O-N 2.87Š| |||
| 142 | K | 55 | Low | 68.5 | Low | 218 Ų | 218 | 115.7 Ų | 115.7 | 95% | 0.948 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -0.2 | 179.1 | -76.5 | -177.5 | 174.3 | 178.8 | 0 | 116.1 | ||
| 143 | N | 63.4 | Low | 69.7 | Low | 151 Ų | 151 | 114.2 Ų | 114.2 | 81% | 0.807 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -1.4 | -170 | -66 | -1.9 | 0 | 0 | 0 | 115.2 | K141 | K141-N143 PolarHBondContact O-N 2.87Š|
| 144 | H | 71.2 | Confident | 71.4 | Confident | 87 Ų | 87 | 105.5 Ų | 105.5 | 40% | 0.403 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -100.4 | 133 | 179.8 | -66.8 | 85.9 | 0 | 0 | 0 | 111 | Y218 | H144-Y218 HydrophobicContact CB-CD1 3.86Å; H144-Y218 HydrophobicContact CB-CE1 3.95Å; H144-Y218 HydrophobicContact CB-CG 4.28Å |
| 145 | R | 80.4 | Confident | 73.3 | Confident | 188 Ų | 188 | 102 Ų | 102 | 71% | 0.709 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 134.4 | 170.6 | 174.2 | -177.3 | -179.4 | 177.4 | 0.2 | 109.1 | R214 | R145-R214 PolarHBondContact O-NH2 3.4Š|
| 146 | P | 82.4 | Confident | 75.4 | Confident | 93 Ų | 93 | 93.7 Ų | 93.7 | 60% | 0.604 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 145.9 | -178.6 | 23.3 | -34.6 | 0 | 0 | 0 | 111.6 | ||
| 147 | V | 85.3 | Confident | 77.5 | Confident | 3 Ų | 3 | 83.6 Ų | 83.6 | 2% | 0.018 | 40% | 0.397 | C | S | . | . | trans | -124.2 | 110.8 | 176.4 | -179.6 | 0 | 0 | 0 | 0 | 107.1 | N149 I177 Y218 A219 M222 | V147-N149 WeakPolarHBondContact CG1-O 3.4Å; V147-I177 HydrophobicContact CG1-CD1 4.1Å; V147-Y218 HydrophobicContact CB-CE1 4.42Å; V147-Y218 HydrophobicContact CG2-CD1 3.89Å; V147-Y218 HydrophobicContact CG2-CE1 3.89Å; V147-A219 HydrophobicContact CG1-CB 4.42Å; V147-A219 HydrophobicContact CG2-CB 4.13Å; V147-M222 HydrophobicContact CB-CB 4.31Å; V147-M222 HydrophobicContact CB-CG 4.26Å; V147-M222 HydrophobicContact CG1-CB 4.11Å | ||
| 148 | N | 87.2 | Confident | 79.3 | Confident | 99 Ų | 99 | 76.4 Ų | 76.4 | 53% | 0.529 | 37% | 0.37 | S | S | . | . | trans | -104.8 | -19.7 | -176.5 | -64.2 | -21.3 | 0 | 0 | 0 | 112 | P176 I177 | N148-P176 WeakPolarHBondContact O-CA 3.47Å; N148-I177 PolarHBondContact O-N 2.88Å | ||
| 149 | N | 91.8 | Very high | 81 | Confident | 45 Ų | 45 | 74.4 Ų | 74.4 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 152.6 | -174.4 | -55.4 | -42.4 | 0 | 0 | 0 | 111.6 | V147 L174 I175 E213 | V147-N149 WeakPolarHBondContact CG1-O 3.4Å; N149-L174 HydrophobicContact CB-CB 4.22Å; N149-L174 HydrophobicContact CB-CD2 4.47Å; N149-I175 CarbonylContact C-O 3.55Å; N149-I175 WeakPolarHBondContact CA-O 3.27Å; N149-E213 WeakPolarHBondContact O-CB 3.45Å |
| 150 | A | 92.7 | Very high | 82.6 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 149.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | L174 I175 I177 I210 A223 V226 | A150-L174 CarbonylContact O-C 3.56Å; A150-L174 WeakPolarHBondContact O-CA 3.43Å; A150-I175 PolarHBondContact N-O 2.86Å; A150-I175 PolarHBondContact O-N 3.27Å; A150-I177 HydrophobicContact CB-CD1 4.39Å; A150-I177 HydrophobicContact CB-CG1 3.96Å; A150-I210 HydrophobicContact CB-CG2 4.48Å; A150-A223 HydrophobicContact CB-CB 3.85Å; A150-V226 HydrophobicContact CB-CG2 3.74Å |
| 151 | R | 95.1 | Very high | 83.7 | Confident | 89 Ų | 89 | 70 Ų | 70 | 34% | 0.336 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 124.7 | 171.5 | -178.6 | -179.8 | -61 | -81.1 | -3.6 | 108.5 | R173 L174 E211 | R151-R173 WeakPolarHBondContact CA-O 3.39Å; R151-L174 HydrophobicContact CB-CD2 3.95Å; R151-E211 HydrophobicContact CB-CB 4.36Å; R151-E211 PolarHBondContact N-O 3.38Å; R151-E211 PolarHBondContact O-N 2.91Å |
| 152 | V | 95.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 120.3 | 171.2 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | S172 R173 I175 F185 V208 W209 I210 F228 | V152-S172 WeakPolarHBondContact O-CA 3.47Å; V152-R173 PolarHBondContact N-O 2.72Å; V152-R173 PolarHBondContact O-N 3.35Å; V152-I175 HydrophobicContact CB-CD1 4.36Å; V152-I175 HydrophobicContact CG2-CD1 3.43Å; V152-I175 VanDerWaalsContact CG2-CD1 3.43Å; V152-I175 HydrophobicContact CG2-CG1 3.81Å; V152-F185 HydrophobicContact CB-CE1 4.08Å; V152-F185 HydrophobicContact CB-CZ 4.1Å; V152-F185 HydrophobicContact CG1-CE1 3.81Å; V152-F185 HydrophobicContact CG1-CZ 3.62Å; V152-V208 HydrophobicContact CG1-CG1 3.6Å; V152-W209 WeakPolarHBondContact CA-O 3.37Å; V152-I210 HydrophobicContact CG2-CG1 4.31Å; V152-F228 HydrophobicContact CG1-CE2 4.27Å; V152-F228 HydrophobicContact CG1-CZ 4.31Å; V152-F228 HydrophobicContact CG2-CE2 4.44Å; V152-F228 HydrophobicContact CG2-CZ 4.3Å |
| 153 | S | 95.9 | Very high | 85.7 | Confident | 3 Ų | 3 | 60 Ų | 60 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.2 | -178.6 | -61.5 | 0 | 0 | 0 | 0 | 109.7 | D171 S172 V208 W209 | S153-D171 CarbonylContact C-O 3.42Å; S153-D171 WeakPolarHBondContact CA-O 3.5Å; S153-S172 PolarHBondContact OG-OG 2.93Å; S153-V208 CarbonylContact O-C 3.52Å; S153-V208 WeakPolarHBondContact O-CA 3.43Å; S153-W209 PolarHBondContact N-O 2.98Å; S153-W209 PolarHBondContact O-N 3.16Å |
| 154 | I | 95.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131.7 | 177.3 | -69.2 | 155.7 | 0 | 0 | 0 | 109.1 | L125 V170 D171 F185 V187 L206 E207 V208 | L125-I154 HydrophobicContact CD2-CD1 4Å; L125-I154 HydrophobicContact CD2-CG1 4.34Å; I154-V170 HydrophobicContact CG2-CB 4.33Å; I154-V170 WeakPolarHBondContact O-CB 3.23Å; I154-V170 PolarHBondContact O-N 3.3Å; I154-D171 PolarHBondContact N-O 2.71Å; I154-D171 PolarHBondContact O-N 3.24Å; I154-F185 HydrophobicContact CD1-CB 3Å; I154-F185 HydrophobicContact CD1-CD1 3.49Å; I154-F185 VanDerWaalsContact CD1-CD1 3.49Å; I154-F185 HydrophobicContact CD1-CD2 3.73Å; I154-F185 HydrophobicContact CD1-CE1 4.32Å; I154-F185 HydrophobicContact CD1-CG 3.14Å; I154-F185 HydrophobicContact CG1-CB 4.49Å; I154-F185 HydrophobicContact CG1-CG 4.45Å; I154-V187 HydrophobicContact CD1-CG1 4.38Å; I154-V187 HydrophobicContact CG2-CG1 3.92Å; I154-L206 HydrophobicContact CG2-CD2 4.4Å; I154-E207 CarbonylContact C-O 3.51Å; I154-E207 WeakPolarHBondContact CA-O 3.49Å; I154-V208 HydrophobicContact CG1-CG2 4.09Å |
| 155 | Y | 95.1 | Very high | 87.5 | Confident | 40 Ų | 40 | 55.3 Ų | 55.3 | 16% | 0.157 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 136.1 | 178.6 | -66.2 | -96.6 | 0 | 0 | 0 | 110.1 | S168 L169 L206 E207 W209 | Y155-S168 CarbonylContact C-O 3.55Å; Y155-S168 WeakPolarHBondContact CA-O 3.11Å; Y155-L169 HydrophobicContact CD1-CB 4.04Å; Y155-L169 HydrophobicContact CD1-CD1 4.26Å; Y155-L169 HydrophobicContact CD2-CD1 4.36Å; Y155-L169 HydrophobicContact CE1-CB 3.72Å; Y155-L169 HydrophobicContact CE1-CD1 3.78Å; Y155-L169 HydrophobicContact CE1-CG 4.36Å; Y155-L169 HydrophobicContact CE2-CD1 3.89Å; Y155-L206 CarbonylContact O-C 3.53Å; Y155-L206 WeakPolarHBondContact O-CA 3.26Å; Y155-E207 PolarHBondContact N-O 2.68Å; Y155-E207 PolarHBondContact O-N 3.48Å; Y155-W209 HydrophobicContact CD2-CB 4.43Å; Y155-W209 AromaticContact CD2-CD1 3.72Å; Y155-W209 HydrophobicContact CD2-CD2 4.06Å; Y155-W209 AromaticContact CD2-CG 3.85Å; Y155-W209 HydrophobicContact CD2-CG 3.85Å; Y155-W209 AromaticContact CD2-NE1 3.87Å; Y155-W209 HydrophobicContact CE2-CB 4.02Å; Y155-W209 AromaticContact CE2-CD2 3.66Å; Y155-W209 HydrophobicContact CE2-CD2 3.66Å; Y155-W209 HydrophobicContact CE2-CE3 4.04Å; Y155-W209 AromaticContact CE2-CG 3.66Å; Y155-W209 HydrophobicContact CE2-CG 3.66Å |
| 156 | W | 93.2 | Very high | 87.9 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 133.2 | 162 | 159.7 | -102 | 0 | 0 | 0 | 108.6 | E158 T167 S168 V170 A190 W194 M204 L206 | W156-E158 HydrophobicContact CZ2-CB 4.39Å; W156-T167 CarbonylContact O-C 3.59Å; W156-T167 VanDerWaalsContact O-CA 3.3Å; W156-T167 WeakPolarHBondContact O-CA 3.14Å; W156-S168 PolarHBondContact N-O 3.05Å; W156-S168 PolarHBondContact O-N 2.69Å; W156-V170 HydrophobicContact CB-CG2 3.64Å; W156-A190 HydrophobicContact CB-CB 4.03Å; W156-A190 HydrophobicContact CE3-CB 4.12Å; W156-W194 HydrophobicContact CH2-CB 3.57Å; W156-W194 AromaticContact CH2-CD1 3.76Å; W156-W194 HydrophobicContact CH2-CG 4.04Å; W156-W194 HydrophobicContact CZ2-CB 4.33Å; W156-W194 HydrophobicContact CZ3-CB 3.71Å; W156-W194 HydrophobicContact CZ3-CG 4.29Å; W156-M204 HydrophobicContact CE3-CG 4.11Å; W156-M204 HydrophobicContact CE3-SD 4.15Å; W156-M204 HydrophobicContact CZ3-CB 3.9Å; W156-M204 HydrophobicContact CZ3-CG 3.51Å; W156-M204 HydrophobicContact CZ3-SD 3.82Å; W156-L206 HydrophobicContact CE3-CD2 4.46Å |
| 157 | V | 91.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 112 | -179.8 | -171.3 | 0 | 0 | 0 | 0 | 110 | N165 T167 H205 E207 | V157-N165 HydrophobicContact CG1-CB 3.91Å; V157-T167 HydrophobicContact CG1-CG2 4.28Å; V157-T167 HydrophobicContact CG2-CG2 4.06Å; V157-H205 HydrophobicContact CB-CB 3.82Å; V157-H205 PolarHBondContact N-O 3.2Å; V157-E207 HydrophobicContact CG2-CB 3.66Å |
| 158 | E | 87.7 | Confident | 88.7 | Confident | 43 Ų | 43 | 53.3 Ų | 53.3 | 20% | 0.201 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.2 | 172.7 | -173.4 | -178.6 | -177.2 | 0 | 0 | 109.5 | W156 L160 N165 R166 | W156-E158 HydrophobicContact CZ2-CB 4.39Å; E158-L160 HydrophobicContact CG-CD2 4.4Å; E158-L160 PolarHBondContact O-N 3Å; E158-N165 WeakPolarHBondContact O-CA 3.31Å; E158-R166 HydrophobicContact CB-CB 4.34Å; E158-R166 VanDerWaalsContact CD-NH2 3.29Å; E158-R166 PolarHBondContact N-O 3.34Å; E158-R166 PolarHBondContact O-N 2.93Å; E158-R166 IonicContact OE1-NH2 2.71Å; E158-R166 PolarHBondContact OE1-NH2 2.76Å; E158-R166 VanDerWaalsContact OE1-NH2 3.17Å; E158-R166 IonicContact OE2-CZ 2.69Å; E158-R166 IonicContact OE2-NE 3.96Å; E158-R166 PolarHBondContact OE2-NE 3.14Å; E158-R166 IonicContact OE2-NH2 3.17Å; E158-R166 PolarHBondContact OE2-NH2 3.49Å |
| 159 | V | 83.6 | Confident | 88.9 | Confident | 68 Ų | 68 | 53.1 Ų | 53.1 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 108.1 | 176.5 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | ||
| 160 | L | 82.4 | Confident | 88.9 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | trans | -76.2 | 153.4 | -178.7 | -64.6 | 170.8 | 0 | 0 | 0 | 110.7 | E158 S162 G163 S164 R166 | E158-L160 HydrophobicContact CG-CD2 4.4Å; E158-L160 PolarHBondContact O-N 3Å; L160-S162 PolarHBondContact O-N 3.4Å; L160-G163 PolarHBondContact O-N 3.46Å; L160-S164 VanDerWaalsContact CB-O 3.31Å; L160-S164 WeakPolarHBondContact CB-O 3.41Å; L160-S164 WeakPolarHBondContact CD1-OG 3.02Å; L160-S164 PolarHBondContact N-O 3.23Å; L160-R166 HydrophobicContact CD1-CB 4.3Å | ||
| 161 | P | 76 | Confident | 88.9 | Confident | 130 Ų | 130 | 53.2 Ų | 53.2 | 84% | 0.844 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -21.2 | 176.5 | -24.9 | 34 | 0 | 0 | 0 | 114.3 | G163 | P161-G163 PolarHBondContact O-N 2.87Š|
| 162 | S | 78.2 | Confident | 88.8 | Confident | 96 Ų | 96 | 51 Ų | 51 | 67% | 0.671 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -2 | 175.3 | 60.6 | 0 | 0 | 0 | 0 | 114.3 | L160 S164 | L160-S162 PolarHBondContact O-N 3.4Å; S162-S164 VanDerWaalsContact C-N 3.25Å; S162-S164 PolarHBondContact O-N 2.95Å; S162-S164 PolarHBondContact OG-OG 2.77Å |
| 163 | G | 75.6 | Confident | 88.6 | Confident | 61 Ų | 61 | 56 Ų | 56 | 63% | 0.629 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 80.7 | -0.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L160 P161 | L160-G163 PolarHBondContact O-N 3.46Å; P161-G163 PolarHBondContact O-N 2.87Å |
| 164 | S | 84.6 | Confident | 88.4 | Confident | 55 Ų | 55 | 59.6 Ų | 59.6 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 144.7 | 174.4 | 62.5 | 0 | 0 | 0 | 0 | 111.6 | L160 S162 | L160-S164 VanDerWaalsContact CB-O 3.31Å; L160-S164 WeakPolarHBondContact CB-O 3.41Å; L160-S164 WeakPolarHBondContact CD1-OG 3.02Å; L160-S164 PolarHBondContact N-O 3.23Å; S162-S164 VanDerWaalsContact C-N 3.25Å; S162-S164 PolarHBondContact O-N 2.95Å; S162-S164 PolarHBondContact OG-OG 2.77Å |
| 165 | N | 88.6 | Confident | 88.2 | Confident | 84 Ų | 84 | 60.1 Ų | 60.1 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 126.3 | 178.5 | -63.4 | -39.4 | 0 | 0 | 0 | 109.6 | R105 V157 E158 | R105-N165 PolarHBondContact NH1-ND2 3.29Å; R105-N165 VanDerWaalsContact NH1-ND2 3.2Å; V157-N165 HydrophobicContact CG1-CB 3.91Å; E158-N165 WeakPolarHBondContact O-CA 3.31Å |
| 166 | R | 88.6 | Confident | 88 | Confident | 133 Ų | 133 | 60.1 Ų | 60.1 | 50% | 0.502 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 120.5 | 168.8 | 178.8 | 165.3 | 70.8 | 177.3 | 0.9 | 108.9 | E158 L160 | E158-R166 HydrophobicContact CB-CB 4.34Å; E158-R166 VanDerWaalsContact CD-NH2 3.29Å; E158-R166 PolarHBondContact N-O 3.34Å; E158-R166 PolarHBondContact O-N 2.93Å; E158-R166 IonicContact OE1-NH2 2.71Å; E158-R166 PolarHBondContact OE1-NH2 2.76Å; E158-R166 VanDerWaalsContact OE1-NH2 3.17Å; E158-R166 IonicContact OE2-CZ 2.69Å; E158-R166 IonicContact OE2-NE 3.96Å; E158-R166 PolarHBondContact OE2-NE 3.14Å; E158-R166 IonicContact OE2-NH2 3.17Å; E158-R166 PolarHBondContact OE2-NH2 3.49Å; L160-R166 HydrophobicContact CD1-CB 4.3Å |
| 167 | T | 91.3 | Very high | 87.8 | Confident | 63 Ų | 63 | 59.4 Ų | 59.4 | 39% | 0.387 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 137.9 | 178.9 | 59.6 | 0 | 0 | 0 | 0 | 111.3 | W156 V157 | W156-T167 CarbonylContact O-C 3.59Å; W156-T167 VanDerWaalsContact O-CA 3.3Å; W156-T167 WeakPolarHBondContact O-CA 3.14Å; V157-T167 HydrophobicContact CG1-CG2 4.28Å; V157-T167 HydrophobicContact CG2-CG2 4.06Å |
| 168 | S | 92 | Very high | 87.4 | Confident | 46 Ų | 46 | 65.2 Ų | 65.2 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.8 | 177.8 | -63.4 | 0 | 0 | 0 | 0 | 109.4 | Y155 W156 V170 | Y155-S168 CarbonylContact C-O 3.55Å; Y155-S168 WeakPolarHBondContact CA-O 3.11Å; W156-S168 PolarHBondContact N-O 3.05Å; W156-S168 PolarHBondContact O-N 2.69Å; S168-V170 PolarHBondContact O-N 3.1Å |
| 169 | L | 92.4 | Very high | 87.3 | Confident | 94 Ų | 94 | 67.5 Ų | 67.5 | 49% | 0.492 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 132 | 177.5 | -177.8 | 70.4 | 0 | 0 | 0 | 110.2 | Y155 | Y155-L169 HydrophobicContact CD1-CB 4.04Å; Y155-L169 HydrophobicContact CD1-CD1 4.26Å; Y155-L169 HydrophobicContact CD2-CD1 4.36Å; Y155-L169 HydrophobicContact CE1-CB 3.72Å; Y155-L169 HydrophobicContact CE1-CD1 3.78Å; Y155-L169 HydrophobicContact CE1-CG 4.36Å; Y155-L169 HydrophobicContact CE2-CD1 3.89Å |
| 170 | V | 92.1 | Very high | 87.5 | Confident | 24 Ų | 24 | 67.9 Ų | 67.9 | 15% | 0.145 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -52.1 | -177.7 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | I154 W156 S168 V187 Q189 A190 | I154-V170 HydrophobicContact CG2-CB 4.33Å; I154-V170 WeakPolarHBondContact O-CB 3.23Å; I154-V170 PolarHBondContact O-N 3.3Å; W156-V170 HydrophobicContact CB-CG2 3.64Å; S168-V170 PolarHBondContact O-N 3.1Å; V170-V187 HydrophobicContact CG1-CB 4.41Å; V170-V187 HydrophobicContact CG1-CG1 4.44Å; V170-Q189 HydrophobicContact CG1-CB 4.47Å; V170-A190 HydrophobicContact CG1-CB 4.21Å; V170-A190 HydrophobicContact CG2-CB 3.93Å |
| 171 | D | 91.9 | Very high | 87.7 | Confident | 24 Ų | 24 | 66.4 Ų | 66.4 | 13% | 0.128 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 149.7 | 179.8 | -164.9 | 1.7 | 0 | 0 | 0 | 109.8 | S153 I154 R173 D186 | S153-D171 CarbonylContact C-O 3.42Å; S153-D171 WeakPolarHBondContact CA-O 3.5Å; I154-D171 PolarHBondContact N-O 2.71Å; I154-D171 PolarHBondContact O-N 3.24Å; D171-R173 IonicContact OD1-CZ 2.83Å; D171-R173 IonicContact OD1-NE 2.8Å; D171-R173 PolarHBondContact OD1-NE 3.19Å; D171-R173 IonicContact OD1-NH2 3.11Å; D171-R173 IonicContact OD2-CZ 3.17Å; D171-R173 IonicContact OD2-NE 2.76Å; D171-R173 PolarHBondContact OD2-NE 2.03Å; D171-R173 IonicContact OD2-NH2 3.6Å; D171-R173 PolarHBondContact OD2-NH2 2.78Å; D171-D186 PolarHBondContact OD2-N 2.97Å; D171-D186 VanDerWaalsContact OD2-N 3.07Å |
| 172 | S | 93.4 | Very high | 88.1 | Confident | 41 Ų | 41 | 65.2 Ų | 65.2 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 121.3 | 175.8 | -172.2 | 0 | 0 | 0 | 0 | 110.4 | V152 S153 | V152-S172 WeakPolarHBondContact O-CA 3.47Å; S153-S172 PolarHBondContact OG-OG 2.93Å |
| 173 | R | 91.1 | Very high | 88.6 | Confident | 106 Ų | 106 | 62.4 Ų | 62.4 | 40% | 0.4 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 150.1 | -174.4 | -57.2 | -174.7 | -171.5 | -179.6 | 2.8 | 111.8 | R151 V152 D171 S184 | R151-R173 WeakPolarHBondContact CA-O 3.39Å; V152-R173 PolarHBondContact N-O 2.72Å; V152-R173 PolarHBondContact O-N 3.35Å; D171-R173 IonicContact OD1-CZ 2.83Å; D171-R173 IonicContact OD1-NE 2.8Å; D171-R173 PolarHBondContact OD1-NE 3.19Å; D171-R173 IonicContact OD1-NH2 3.11Å; D171-R173 IonicContact OD2-CZ 3.17Å; D171-R173 IonicContact OD2-NE 2.76Å; D171-R173 PolarHBondContact OD2-NE 2.03Å; D171-R173 IonicContact OD2-NH2 3.6Å; D171-R173 PolarHBondContact OD2-NH2 2.78Å; R173-S184 PolarHBondContact NH1-O 2.96Å |
| 174 | L | 91.9 | Very high | 89.2 | Confident | 78 Ų | 78 | 61.4 Ų | 61.4 | 41% | 0.408 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 122.8 | 167.4 | -68.7 | 176.1 | 0 | 0 | 0 | 108.6 | N149 A150 R151 E213 | N149-L174 HydrophobicContact CB-CB 4.22Å; N149-L174 HydrophobicContact CB-CD2 4.47Å; A150-L174 CarbonylContact O-C 3.56Å; A150-L174 WeakPolarHBondContact O-CA 3.43Å; R151-L174 HydrophobicContact CB-CD2 3.95Å; L174-E213 HydrophobicContact CD1-CG 4.22Å; L174-E213 HydrophobicContact CD2-CB 4.01Å; L174-E213 HydrophobicContact CD2-CG 3.89Å |
| 175 | I | 91.6 | Very high | 89.4 | Confident | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 144.3 | 176.8 | 68.6 | 174.2 | 0 | 0 | 0 | 110.8 | N149 A150 V152 V226 F228 | N149-I175 CarbonylContact C-O 3.55Å; N149-I175 WeakPolarHBondContact CA-O 3.27Å; A150-I175 PolarHBondContact N-O 2.86Å; A150-I175 PolarHBondContact O-N 3.27Å; V152-I175 HydrophobicContact CB-CD1 4.36Å; V152-I175 HydrophobicContact CG2-CD1 3.43Å; V152-I175 VanDerWaalsContact CG2-CD1 3.43Å; V152-I175 HydrophobicContact CG2-CG1 3.81Å; I175-V226 HydrophobicContact CD1-CG1 3.92Å; I175-F228 HydrophobicContact CD1-CE1 4.47Å; I175-F228 HydrophobicContact CD1-CZ 3.94Å |
| 176 | P | 90.9 | Very high | 89.3 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 25% | 0.253 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 133.7 | 175.9 | -24.4 | 37.5 | 0 | 0 | 0 | 111.8 | Q129 N148 H178 E179 | Q129-P176 PolarHBondContact NE2-O 2.03Å; N148-P176 WeakPolarHBondContact O-CA 3.47Å; P176-H178 PolarHBondContact O-N 2.03Å; P176-E179 HydrophobicContact CB-CB 4.32Å; P176-E179 VanDerWaalsContact CB-CD 3.49Å; P176-E179 HydrophobicContact CB-CG 3.79Å; P176-E179 HydrophobicContact CG-CG 4.37Å; P176-E179 WeakPolarHBondContact CG-OE1 3.39Å |
| 177 | I | 88.6 | Confident | 89.4 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -31.2 | -174.4 | -61.4 | 167.9 | 0 | 0 | 0 | 111.9 | Q129 V147 N148 A150 M222 V226 | Q129-I177 PolarHBondContact NE2-O 3.29Å; V147-I177 HydrophobicContact CG1-CD1 4.1Å; N148-I177 PolarHBondContact O-N 2.88Å; A150-I177 HydrophobicContact CB-CD1 4.39Å; A150-I177 HydrophobicContact CB-CG1 3.96Å; I177-M222 HydrophobicContact CD1-CB 3.96Å; I177-V226 HydrophobicContact CB-CG2 4.38Å; I177-V226 HydrophobicContact CG1-CG2 4.12Å; I177-V226 HydrophobicContact CG2-CG2 4.21Å |
| 178 | H | 82.8 | Confident | 89.1 | Confident | 124 Ų | 124 | 49.4 Ų | 49.4 | 57% | 0.574 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 9.8 | -170.5 | -56.1 | -50.6 | 0 | 0 | 0 | 114.2 | P176 | P176-H178 PolarHBondContact O-N 2.03Š|
| 179 | E | 85.6 | Confident | 88.6 | Confident | 90 Ų | 90 | 52.3 Ų | 52.3 | 42% | 0.421 | 27% | 0.267 | S | S | . | . | trans | -94.1 | 146.3 | 177.2 | -73.7 | 178.6 | -175.8 | 0 | 0 | 111.5 | Q129 P176 K183 | Q129-E179 VanDerWaalsContact CD-O 3.25Å; Q129-E179 WeakPolarHBondContact CG-O 3.31Å; Q129-E179 PolarHBondContact NE2-O 3.43Å; Q129-E179 VanDerWaalsContact NE2-O 3.16Å; P176-E179 HydrophobicContact CB-CB 4.32Å; P176-E179 VanDerWaalsContact CB-CD 3.49Å; P176-E179 HydrophobicContact CB-CG 3.79Å; P176-E179 HydrophobicContact CG-CG 4.37Å; P176-E179 WeakPolarHBondContact CG-OE1 3.39Å; E179-K183 IonicContact OE2-NZ 2.64Å; E179-K183 PolarHBondContact OE2-NZ 3.11Å | ||
| 180 | T | 86.9 | Confident | 88.4 | Confident | 76 Ų | 76 | 47.8 Ų | 47.8 | 47% | 0.466 | 24% | 0.244 | S | C | . | . | trans | -110.4 | 136.5 | 168.4 | -64.2 | 0 | 0 | 0 | 0 | 108.1 | Y128 Q129 A131 | Y128-T180 HydrophobicContact CE1-CG2 4.07Å; Y128-T180 HydrophobicContact CE2-CG2 4.41Å; Y128-T180 WeakPolarHBondContact OH-CG2 3.44Å; Q129-T180 CarbonylContact O-C 3.45Å; Q129-T180 VanDerWaalsContact O-CA 3.3Å; Q129-T180 WeakPolarHBondContact O-CA 3.4Å; Q129-T180 WeakPolarHBondContact O-CG2 3.29Å; A131-T180 WeakPolarHBondContact CB-OG1 3.27Å; A131-T180 PolarHBondContact N-OG1 2.9Å | ||
| 181 | G | 86.8 | Confident | 88.1 | Confident | 18 Ų | 18 | 46.7 Ų | 46.7 | 19% | 0.186 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.6 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q129 | Q129-G181 PolarHBondContact N-O 3.28Å; Q129-G181 PolarHBondContact O-N 2.84Å |
| 182 | W | 85.2 | Confident | 87.6 | Confident | 104 Ų | 104 | 48.5 Ų | 48.5 | 39% | 0.394 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 130 | 176.1 | -70.4 | 104.2 | 0 | 0 | 0 | 111.2 | K126 Y128 Q231 | K126-W182 HydrophobicContact CB-CE3 3.98Å; K126-W182 HydrophobicContact CB-CZ3 4.07Å; Y128-W182 AromaticContact CD2-CD1 3.94Å; Y128-W182 AromaticContact CD2-CD2 3.89Å; Y128-W182 HydrophobicContact CD2-CD2 3.89Å; Y128-W182 AromaticContact CD2-CE2 3.77Å; Y128-W182 HydrophobicContact CD2-CG 4.02Å; Y128-W182 HydrophobicContact CD2-CZ2 4.34Å; Y128-W182 AromaticContact CD2-NE1 3.77Å; Y128-W182 HydrophobicContact CG-CD2 4.49Å; W182-Q231 HydrophobicContact CZ2-CB 4.12Å |
| 183 | K | 88.4 | Confident | 87.1 | Confident | 38 Ų | 38 | 52.4 Ų | 52.4 | 17% | 0.165 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 115.2 | 170.9 | -57.3 | -57.4 | -177.2 | -174.8 | 0 | 107.8 | L127 Q129 E179 F185 F228 | L127-K183 PolarHBondContact N-O 3.08Å; L127-K183 PolarHBondContact O-N 3.11Å; Q129-K183 HydrophobicContact CB-CG 4.12Å; E179-K183 IonicContact OE2-NZ 2.64Å; E179-K183 PolarHBondContact OE2-NZ 3.11Å; K183-F185 HydrophobicContact CB-CE2 3.76Å; K183-F185 HydrophobicContact CB-CZ 4.09Å; K183-F228 HydrophobicContact CB-CE1 4.4Å; K183-F228 HydrophobicContact CG-CE1 4.32Å |
| 184 | S | 87.9 | Confident | 86.9 | Confident | 40 Ų | 40 | 48.1 Ų | 48.1 | 28% | 0.28 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133.3 | 172.5 | -71.6 | 0 | 0 | 0 | 0 | 109.9 | E124 L125 K126 R173 | E124-S184 WeakPolarHBondContact OE2-CB 3.33Å; E124-S184 PolarHBondContact OE2-OG 2.88Å; L125-S184 WeakPolarHBondContact O-CA 3.48Å; K126-S184 WeakPolarHBondContact CE-OG 3.48Å; R173-S184 PolarHBondContact NH1-O 2.96Å |
| 185 | F | 89.9 | Confident | 86.3 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.013 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.6 | 174.5 | -59.4 | -91.9 | 0 | 0 | 0 | 110.8 | E124 L125 L127 V152 I154 K183 V187 F228 | E124-F185 CarbonylContact C-O 3.55Å; E124-F185 VanDerWaalsContact CA-O 3.31Å; E124-F185 WeakPolarHBondContact CA-O 3.36Å; L125-F185 PolarHBondContact N-O 3.31Å; L125-F185 PolarHBondContact O-N 2.92Å; L127-F185 HydrophobicContact CD1-CD2 4.4Å; L127-F185 HydrophobicContact CD1-CE2 4.06Å; V152-F185 HydrophobicContact CB-CE1 4.08Å; V152-F185 HydrophobicContact CB-CZ 4.1Å; V152-F185 HydrophobicContact CG1-CE1 3.81Å; V152-F185 HydrophobicContact CG1-CZ 3.62Å; I154-F185 HydrophobicContact CD1-CB 3Å; I154-F185 HydrophobicContact CD1-CD1 3.49Å; I154-F185 VanDerWaalsContact CD1-CD1 3.49Å; I154-F185 HydrophobicContact CD1-CD2 3.73Å; I154-F185 HydrophobicContact CD1-CE1 4.32Å; I154-F185 HydrophobicContact CD1-CG 3.14Å; I154-F185 HydrophobicContact CG1-CB 4.49Å; I154-F185 HydrophobicContact CG1-CG 4.45Å; K183-F185 HydrophobicContact CB-CE2 3.76Å; K183-F185 HydrophobicContact CB-CZ 4.09Å; F185-V187 PolarHBondContact O-N 2.75Å; F185-F228 HydrophobicContact CE2-CZ 4.4Å; F185-F228 HydrophobicContact CZ-CZ 4.3Å |
| 186 | D | 85.9 | Confident | 85.4 | Confident | 62 Ų | 62 | 54.2 Ų | 54.2 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 114.3 | -177.8 | -175 | -13.6 | 0 | 0 | 0 | 109.5 | D171 T188 | D171-D186 PolarHBondContact OD2-N 2.97Å; D171-D186 VanDerWaalsContact OD2-N 3.07Å; D186-T188 WeakPolarHBondContact OD1-CB 3.46Å; D186-T188 PolarHBondContact OD1-N 3.07Å; D186-T188 PolarHBondContact OD1-OG1 2.92Å |
| 187 | V | 90.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -117.1 | 18 | 179.5 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | A123 L125 I154 V170 F185 Q189 A190 V191 L206 L243 | A123-V187 HydrophobicContact CB-CG2 3.88Å; A123-V187 PolarHBondContact O-N 2.73Å; L125-V187 HydrophobicContact CB-CG1 3.77Å; L125-V187 HydrophobicContact CB-CG2 4.12Å; I154-V187 HydrophobicContact CD1-CG1 4.38Å; I154-V187 HydrophobicContact CG2-CG1 3.92Å; V170-V187 HydrophobicContact CG1-CB 4.41Å; V170-V187 HydrophobicContact CG1-CG1 4.44Å; F185-V187 PolarHBondContact O-N 2.75Å; V187-Q189 VanDerWaalsContact C-N 3.27Å; V187-Q189 PolarHBondContact O-N 3.3Å; V187-A190 HydrophobicContact CB-CB 4.43Å; V187-A190 WeakPolarHBondContact O-CB 3.28Å; V187-A190 PolarHBondContact O-N 3.49Å; V187-V191 PolarHBondContact O-N 2.74Å; V187-L206 HydrophobicContact CB-CD1 4.34Å; V187-L206 HydrophobicContact CG1-CD1 4.11Å; V187-L206 HydrophobicContact CG2-CD1 4.44Å; V187-L243 HydrophobicContact CG2-CD1 3.45Å; V187-L243 VanDerWaalsContact CG2-CD1 3.45Å | ||
| 188 | T | 84.3 | Confident | 82.8 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 10% | 0.104 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.5 | -43.2 | -177.5 | -52 | 0 | 0 | 0 | 0 | 111.8 | M122 A123 D186 A190 V191 H192 | M122-T188 WeakPolarHBondContact CA-OG1 3.01Å; A123-T188 PolarHBondContact N-OG1 3.2Å; D186-T188 WeakPolarHBondContact OD1-CB 3.46Å; D186-T188 PolarHBondContact OD1-N 3.07Å; D186-T188 PolarHBondContact OD1-OG1 2.92Å; T188-A190 VanDerWaalsContact C-N 3.35Å; T188-A190 PolarHBondContact O-N 2.81Å; T188-V191 PolarHBondContact O-N 3.18Å; T188-H192 PolarHBondContact O-CD2 2.9Å; T188-H192 PolarHBondContact O-N 3.08Å |
| 189 | Q | 82.7 | Confident | 81.7 | Confident | 107 Ų | 107 | 64.3 Ų | 64.3 | 50% | 0.5 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 178.2 | -66.2 | -172 | -9.5 | 0 | 0 | 112.7 | V170 V187 H192 Y193 | V170-Q189 HydrophobicContact CG1-CB 4.47Å; V187-Q189 VanDerWaalsContact C-N 3.27Å; V187-Q189 PolarHBondContact O-N 3.3Å; Q189-H192 PolarHBondContact O-N 2.91Å; Q189-Y193 HydrophobicContact CB-CD2 4.42Å; Q189-Y193 HydrophobicContact CB-CE2 4.05Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.21Å; Q189-Y193 PolarHBondContact O-N 2.78Å |
| 190 | A | 88.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.1 | -45 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | W156 V170 V187 T188 H192 Y193 W194 M204 L206 | W156-A190 HydrophobicContact CB-CB 4.03Å; W156-A190 HydrophobicContact CE3-CB 4.12Å; V170-A190 HydrophobicContact CG1-CB 4.21Å; V170-A190 HydrophobicContact CG2-CB 3.93Å; V187-A190 HydrophobicContact CB-CB 4.43Å; V187-A190 WeakPolarHBondContact O-CB 3.28Å; V187-A190 PolarHBondContact O-N 3.49Å; T188-A190 VanDerWaalsContact C-N 3.35Å; T188-A190 PolarHBondContact O-N 2.81Å; A190-H192 VanDerWaalsContact C-N 3.33Å; A190-H192 PolarHBondContact O-N 2.04Å; A190-Y193 PolarHBondContact O-N 3.04Å; A190-W194 WeakPolarHBondContact O-CB 3.38Å; A190-W194 PolarHBondContact O-N 2.91Å; A190-M204 HydrophobicContact CB-SD 4.49Å; A190-L206 HydrophobicContact CB-CD2 3.8Å |
| 191 | V | 86.2 | Confident | 79.6 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.2 | -40 | 177.2 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | M110 I114 V120 A123 V187 T188 W194 S195 M204 L245 | M110-V191 HydrophobicContact CE-CG1 4.09Å; M110-V191 HydrophobicContact CE-CG2 4.47Å; I114-V191 HydrophobicContact CD1-CG1 4.37Å; V120-V191 HydrophobicContact CB-CG1 4.34Å; V120-V191 HydrophobicContact CG1-CB 4.46Å; V120-V191 HydrophobicContact CG1-CG1 3.93Å; V120-V191 HydrophobicContact CG2-CG1 3.96Å; A123-V191 HydrophobicContact CB-CB 4.38Å; A123-V191 HydrophobicContact CB-CG2 3.62Å; V187-V191 PolarHBondContact O-N 2.74Å; T188-V191 PolarHBondContact O-N 3.18Å; V191-W194 PolarHBondContact O-N 3.06Å; V191-S195 VanDerWaalsContact O-CB 3.26Å; V191-S195 WeakPolarHBondContact O-CB 3.46Å; V191-S195 PolarHBondContact O-N 3.22Å; V191-M204 HydrophobicContact CG2-CE 3.84Å; V191-M204 HydrophobicContact CG2-SD 4.08Å; V191-L245 HydrophobicContact CG1-CD2 4.28Å; V191-L245 HydrophobicContact CG2-CD2 3.96Å |
| 192 | H | 81.3 | Confident | 79.3 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 29% | 0.292 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 174.4 | -72.6 | -51.3 | 0 | 0 | 0 | 113.5 | V120 T188 Q189 A190 K196 | V120-H192 PolarHBondContact O-CE1 2.87Å; T188-H192 PolarHBondContact O-CD2 2.9Å; T188-H192 PolarHBondContact O-N 3.08Å; Q189-H192 PolarHBondContact O-N 2.91Å; A190-H192 VanDerWaalsContact C-N 3.33Å; A190-H192 PolarHBondContact O-N 2.04Å; H192-K196 WeakPolarHBondContact O-CG 3.46Å; H192-K196 PolarHBondContact O-N 2.84Å |
| 193 | Y | 83 | Confident | 79.4 | Confident | 122 Ų | 122 | 69.5 Ų | 69.5 | 48% | 0.478 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.6 | -45 | 176.3 | -71.3 | -52.4 | 0 | 0 | 0 | 111.4 | Q189 A190 K196 T197 | Q189-Y193 HydrophobicContact CB-CD2 4.42Å; Q189-Y193 HydrophobicContact CB-CE2 4.05Å; Q189-Y193 WeakPolarHBondContact O-CD2 3.21Å; Q189-Y193 PolarHBondContact O-N 2.78Å; A190-Y193 PolarHBondContact O-N 3.04Å; Y193-K196 PolarHBondContact O-N 2.93Å; Y193-T197 PolarHBondContact O-N 2.85Å; Y193-T197 PolarHBondContact O-OG1 2.85Å |
| 194 | W | 85.5 | Confident | 79.5 | Confident | 17 Ų | 17 | 67.7 Ų | 67.7 | 6% | 0.064 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.5 | -51.4 | 173.8 | 173.5 | 76.3 | 0 | 0 | 0 | 111.6 | M110 I114 W156 A190 V191 K196 T197 Q200 A202 M204 | M110-W194 HydrophobicContact CB-CD2 4.31Å; M110-W194 HydrophobicContact CB-CE3 4.28Å; M110-W194 HydrophobicContact CB-CH2 3.23Å; M110-W194 HydrophobicContact CB-CZ2 3.24Å; M110-W194 HydrophobicContact CB-CZ3 3.76Å; M110-W194 HydrophobicContact CE-CE3 4.06Å; M110-W194 HydrophobicContact CE-CZ3 4.03Å; M110-W194 HydrophobicContact CG-CD2 4.25Å; M110-W194 HydrophobicContact CG-CE3 4.38Å; M110-W194 HydrophobicContact CG-CH2 4.17Å; M110-W194 HydrophobicContact CG-CZ2 4.01Å; M110-W194 HydrophobicContact CG-CZ3 4.32Å; I114-W194 HydrophobicContact CD1-CZ3 3.76Å; W156-W194 HydrophobicContact CH2-CB 3.57Å; W156-W194 AromaticContact CH2-CD1 3.76Å; W156-W194 HydrophobicContact CH2-CG 4.04Å; W156-W194 HydrophobicContact CZ2-CB 4.33Å; W156-W194 HydrophobicContact CZ3-CB 3.71Å; W156-W194 HydrophobicContact CZ3-CG 4.29Å; A190-W194 WeakPolarHBondContact O-CB 3.38Å; A190-W194 PolarHBondContact O-N 2.91Å; V191-W194 PolarHBondContact O-N 3.06Å; W194-K196 VanDerWaalsContact C-N 3.27Å; W194-K196 PolarHBondContact O-N 2.81Å; W194-T197 WeakPolarHBondContact O-CB 3.22Å; W194-T197 PolarHBondContact O-N 3.5Å; W194-Q200 WeakPolarHBondContact CZ2-O 3.43Å; W194-A202 PolarHBondContact NE1-O 3.49Å; W194-M204 HydrophobicContact CB-SD 4.47Å; W194-M204 HydrophobicContact CG-CB 4.16Å |
| 195 | S | 79 | Confident | 79.7 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 32% | 0.315 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.4 | -33.5 | -177.5 | 175.5 | 0 | 0 | 0 | 0 | 113.8 | V191 | V191-S195 VanDerWaalsContact O-CB 3.26Å; V191-S195 WeakPolarHBondContact O-CB 3.46Å; V191-S195 PolarHBondContact O-N 3.22Å |
| 196 | K | 74.1 | Confident | 79.9 | Confident | 172 Ų | 172 | 67.2 Ų | 67.2 | 75% | 0.748 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -78.1 | -18.7 | 178.5 | -74.9 | 176.6 | -178.8 | 176.8 | 0 | 113.9 | H192 Y193 W194 | H192-K196 WeakPolarHBondContact O-CG 3.46Å; H192-K196 PolarHBondContact O-N 2.84Å; Y193-K196 PolarHBondContact O-N 2.93Å; W194-K196 VanDerWaalsContact C-N 3.27Å; W194-K196 PolarHBondContact O-N 2.81Å |
| 197 | T | 72.3 | Confident | 80.3 | Confident | 54 Ų | 54 | 65 Ų | 65 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -76.9 | 130 | -179.6 | -54.8 | 0 | 0 | 0 | 0 | 107.9 | Y193 W194 Q199 | Y193-T197 PolarHBondContact O-N 2.85Å; Y193-T197 PolarHBondContact O-OG1 2.85Å; W194-T197 WeakPolarHBondContact O-CB 3.22Å; W194-T197 PolarHBondContact O-N 3.5Å; T197-Q199 PolarHBondContact O-N 2.86Å |
| 198 | Q | 52.8 | Low | 80.4 | Confident | 204 Ų | 204 | 65 Ų | 65 | 95% | 0.953 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -60.4 | 5.8 | -175.3 | -97.6 | 170.3 | -27.9 | 0 | 0 | 115.6 | ||
| 199 | Q | 58.4 | Low | 80.9 | Confident | 119 Ų | 119 | 66.5 Ų | 66.5 | 56% | 0.556 | 32% | 0.317 | S | S | * | . | trans | -111.9 | 58.4 | 178 | -66.2 | 176.3 | -12.3 | 0 | 0 | 110.1 | T197 K201 A202 | T197-Q199 PolarHBondContact O-N 2.86Å; Q199-K201 PolarHBondContact O-N 3.07Å; Q199-A202 HydrophobicContact CB-CB 4.16Å; Q199-A202 WeakPolarHBondContact O-CB 3.5Å; Q199-A202 PolarHBondContact O-N 2.94Å | ||
| 200 | Q | 60.5 | Low | 81.5 | Confident | 128 Ų | 128 | 61.8 Ų | 61.8 | 60% | 0.598 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -6 | 176.1 | -68.8 | 177.6 | -10 | 0 | 0 | 114.3 | W194 | W194-Q200 WeakPolarHBondContact CZ2-O 3.43Š|
| 201 | K | 67.9 | Low | 81.8 | Confident | 178 Ų | 178 | 65.8 Ų | 65.8 | 77% | 0.774 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -10.7 | 174.6 | -61.5 | -174 | 176.3 | -171.8 | 0 | 114 | Q199 | Q199-K201 PolarHBondContact O-N 3.07Š|
| 202 | A | 80.3 | Confident | 82 | Confident | 35 Ų | 35 | 66.5 Ų | 66.5 | 29% | 0.289 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -81.7 | 140.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | W194 Q199 | W194-A202 PolarHBondContact NE1-O 3.49Å; Q199-A202 HydrophobicContact CB-CB 4.16Å; Q199-A202 WeakPolarHBondContact O-CB 3.5Å; Q199-A202 PolarHBondContact O-N 2.94Å |
| 203 | P | 88.2 | Confident | 82.5 | Confident | 56 Ų | 56 | 66.8 Ų | 66.8 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 151.7 | 177.3 | 31 | -36.2 | 0 | 0 | 0 | 111.2 | V107 F108 | V107-P203 HydrophobicContact CG2-CB 3.51Å; V107-P203 HydrophobicContact CG2-CG 3.91Å; F108-P203 WeakPolarHBondContact O-CA 3.49Å |
| 204 | M | 90.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 133.1 | 175.6 | 156.3 | 154.7 | 106.7 | 0 | 0 | 110.2 | V107 F108 M110 W156 A190 V191 W194 L206 L243 | V107-M204 CarbonylContact C-O 3.49Å; V107-M204 WeakPolarHBondContact CA-O 3Å; F108-M204 HydrophobicContact CB-CB 4.45Å; F108-M204 HydrophobicContact CD2-CE 4.3Å; F108-M204 PolarHBondContact N-O 2.83Å; F108-M204 PolarHBondContact O-N 2.59Å; M110-M204 HydrophobicContact CE-CE 4.4Å; M110-M204 HydrophobicContact CG-CB 3.73Å; M110-M204 HydrophobicContact SD-CB 4.42Å; M110-M204 HydrophobicContact SD-CE 4.18Å; W156-M204 HydrophobicContact CE3-CG 4.11Å; W156-M204 HydrophobicContact CE3-SD 4.15Å; W156-M204 HydrophobicContact CZ3-CB 3.9Å; W156-M204 HydrophobicContact CZ3-CG 3.51Å; W156-M204 HydrophobicContact CZ3-SD 3.82Å; A190-M204 HydrophobicContact CB-SD 4.49Å; V191-M204 HydrophobicContact CG2-CE 3.84Å; V191-M204 HydrophobicContact CG2-SD 4.08Å; W194-M204 HydrophobicContact CB-SD 4.47Å; W194-M204 HydrophobicContact CG-CB 4.16Å; M204-L206 HydrophobicContact CE-CD1 3.99Å; M204-L206 HydrophobicContact CE-CG 4.26Å; M204-L206 HydrophobicContact CG-CG 4.38Å; M204-L243 HydrophobicContact CE-CD1 4.07Å; M204-L243 HydrophobicContact CE-CD2 3.24Å; M204-L243 HydrophobicContact CE-CG 4.3Å |
| 205 | H | 92 | Very high | 82.8 | Confident | 32 Ų | 32 | 70.9 Ų | 70.9 | 15% | 0.148 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 130.2 | 175.1 | -63 | -81.5 | 0 | 0 | 0 | 111.8 | M106 V157 | M106-H205 WeakPolarHBondContact O-CA 3.29Å; V157-H205 HydrophobicContact CB-CB 3.82Å; V157-H205 PolarHBondContact N-O 3.2Å |
| 206 | L | 93.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142.3 | 171.2 | -64.1 | 179.1 | 0 | 0 | 0 | 109.9 | M106 F108 L125 I154 Y155 W156 V187 A190 M204 | M106-L206 PolarHBondContact N-O 2.86Å; M106-L206 PolarHBondContact O-N 3.32Å; F108-L206 HydrophobicContact CD2-CD1 4.34Å; F108-L206 HydrophobicContact CD2-CG 4.46Å; F108-L206 HydrophobicContact CE2-CB 4.25Å; F108-L206 HydrophobicContact CE2-CD1 3.85Å; F108-L206 HydrophobicContact CE2-CG 4.2Å; L125-L206 HydrophobicContact CD2-CD1 4.25Å; I154-L206 HydrophobicContact CG2-CD2 4.4Å; Y155-L206 CarbonylContact O-C 3.53Å; Y155-L206 WeakPolarHBondContact O-CA 3.26Å; W156-L206 HydrophobicContact CE3-CD2 4.46Å; V187-L206 HydrophobicContact CB-CD1 4.34Å; V187-L206 HydrophobicContact CG1-CD1 4.11Å; V187-L206 HydrophobicContact CG2-CD1 4.44Å; A190-L206 HydrophobicContact CB-CD2 3.8Å; M204-L206 HydrophobicContact CE-CD1 3.99Å; M204-L206 HydrophobicContact CE-CG 4.26Å; M204-L206 HydrophobicContact CG-CG 4.38Å |
| 207 | E | 94.2 | Very high | 83.8 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 7% | 0.07 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 126.4 | 178.2 | -164.2 | 174.6 | -117.2 | 0 | 0 | 110.7 | Y98 L104 R105 I154 Y155 V157 W209 | Y98-E207 PolarHBondContact OH-OE1 3.35Å; L104-E207 CarbonylContact O-C 3.53Å; L104-E207 VanDerWaalsContact O-CA 3.31Å; L104-E207 WeakPolarHBondContact O-CA 3Å; R105-E207 HydrophobicContact CB-CG 4.38Å; I154-E207 CarbonylContact C-O 3.51Å; I154-E207 WeakPolarHBondContact CA-O 3.49Å; Y155-E207 PolarHBondContact N-O 2.68Å; Y155-E207 PolarHBondContact O-N 3.48Å; V157-E207 HydrophobicContact CG2-CB 3.66Å; E207-W209 VanDerWaalsContact CD-NE1 3.34Å; E207-W209 PolarHBondContact OE2-NE1 3.4Å |
| 208 | V | 94.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 126 | -179.4 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | R103 L104 M106 L125 L127 V152 S153 I154 I210 F228 | R103-V208 CarbonylContact C-O 3.58Å; R103-V208 VanDerWaalsContact CA-O 3.24Å; R103-V208 WeakPolarHBondContact CA-O 3.38Å; L104-V208 HydrophobicContact CB-CB 4.25Å; L104-V208 HydrophobicContact CD1-CB 4.01Å; L104-V208 HydrophobicContact CD1-CG1 4.02Å; L104-V208 PolarHBondContact N-O 3.16Å; L104-V208 PolarHBondContact O-N 2.61Å; M106-V208 HydrophobicContact CE-CB 4.4Å; M106-V208 HydrophobicContact CE-CG2 3.29Å; L125-V208 HydrophobicContact CD2-CG2 4.26Å; L127-V208 HydrophobicContact CD1-CG2 3.94Å; V152-V208 HydrophobicContact CG1-CG1 3.6Å; S153-V208 CarbonylContact O-C 3.52Å; S153-V208 WeakPolarHBondContact O-CA 3.43Å; I154-V208 HydrophobicContact CG1-CG2 4.09Å; V208-I210 HydrophobicContact CG1-CG1 4.37Å; V208-F228 HydrophobicContact CG1-CE2 4.22Å |
| 209 | W | 94.8 | Very high | 86.2 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 19% | 0.186 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.9 | 178.3 | -68.5 | 29.8 | 0 | 0 | 0 | 108.9 | T102 V152 S153 Y155 E207 | T102-W209 WeakPolarHBondContact O-CA 3.01Å; V152-W209 WeakPolarHBondContact CA-O 3.37Å; S153-W209 PolarHBondContact N-O 2.98Å; S153-W209 PolarHBondContact O-N 3.16Å; Y155-W209 HydrophobicContact CD2-CB 4.43Å; Y155-W209 AromaticContact CD2-CD1 3.72Å; Y155-W209 HydrophobicContact CD2-CD2 4.06Å; Y155-W209 AromaticContact CD2-CG 3.85Å; Y155-W209 HydrophobicContact CD2-CG 3.85Å; Y155-W209 AromaticContact CD2-NE1 3.87Å; Y155-W209 HydrophobicContact CE2-CB 4.02Å; Y155-W209 AromaticContact CE2-CD2 3.66Å; Y155-W209 HydrophobicContact CE2-CD2 3.66Å; Y155-W209 HydrophobicContact CE2-CE3 4.04Å; Y155-W209 AromaticContact CE2-CG 3.66Å; Y155-W209 HydrophobicContact CE2-CG 3.66Å; E207-W209 VanDerWaalsContact CD-NE1 3.34Å; E207-W209 PolarHBondContact OE2-NE1 3.4Å |
| 210 | I | 94 | Very high | 87.7 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 5% | 0.046 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.8 | 179.2 | -53.7 | 172.3 | 0 | 0 | 0 | 108.1 | T102 L104 A150 V152 V208 A223 V226 F228 | T102-I210 PolarHBondContact O-N 3.18Å; L104-I210 HydrophobicContact CD1-CD1 3.9Å; L104-I210 HydrophobicContact CD1-CG1 4.44Å; A150-I210 HydrophobicContact CB-CG2 4.48Å; V152-I210 HydrophobicContact CG2-CG1 4.31Å; V208-I210 HydrophobicContact CG1-CG1 4.37Å; I210-A223 HydrophobicContact CG2-CB 4.18Å; I210-A223 WeakPolarHBondContact CG2-O 3.23Å; I210-V226 HydrophobicContact CD1-CG1 4.25Å; I210-V226 HydrophobicContact CG2-CB 4.14Å; I210-F228 HydrophobicContact CD1-CD2 4.16Å; I210-F228 HydrophobicContact CD1-CE2 3.99Å; I210-F228 HydrophobicContact CG1-CE2 4.39Å |
| 211 | E | 94.1 | Very high | 88.9 | Confident | 84 Ų | 84 | 54.4 Ų | 54.4 | 39% | 0.393 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 158.6 | -175 | -61.1 | -176.9 | 142.6 | 0 | 0 | 111.1 | R151 A223 | R151-E211 HydrophobicContact CB-CB 4.36Å; R151-E211 PolarHBondContact N-O 3.38Å; R151-E211 PolarHBondContact O-N 2.91Å; E211-A223 VanDerWaalsContact C-CB 3.48Å; E211-A223 WeakPolarHBondContact O-CB 2.97Å |
| 212 | G | 91.6 | Very high | 89.8 | Confident | 15 Ų | 15 | 47.5 Ų | 47.5 | 16% | 0.155 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 144.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111 | R214 A219 | G212-R214 PolarHBondContact O-N 3.37Å; G212-A219 WeakPolarHBondContact CA-O 3.32Å |
| 213 | E | 90.5 | Very high | 90.2 | Very high | 68 Ų | 68 | 45.9 Ų | 45.9 | 32% | 0.318 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -53.2 | -27.3 | 171.1 | 173.5 | 177.2 | -157.1 | 0 | 0 | 112.3 | N149 L174 | N149-E213 WeakPolarHBondContact O-CB 3.45Å; L174-E213 HydrophobicContact CD1-CG 4.22Å; L174-E213 HydrophobicContact CD2-CB 4.01Å; L174-E213 HydrophobicContact CD2-CG 3.89Å |
| 214 | R | 88.9 | Confident | 90.2 | Very high | 88 Ų | 88 | 49.8 Ų | 49.8 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -143.1 | 158.7 | 179.4 | 60.9 | -175.6 | 174.4 | 140.3 | 1.8 | 111.9 | R145 G212 A219 | R145-R214 PolarHBondContact O-NH2 3.4Å; G212-R214 PolarHBondContact O-N 3.37Å; R214-A219 HydrophobicContact CG-CB 3.81Å; R214-A219 VanDerWaalsContact O-CB 3.28Å; R214-A219 WeakPolarHBondContact O-CB 3.06Å |
| 215 | P | 87 | Confident | 90 | Very high | 137 Ų | 137 | 50.9 Ų | 50.9 | 89% | 0.89 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -59.8 | 136.8 | 172.9 | -21.9 | 33.3 | 0 | 0 | 0 | 111.9 | ||
| 216 | G | 87.4 | Confident | 89.8 | Confident | 46 Ų | 46 | 49.5 Ų | 49.5 | 47% | 0.474 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 141.8 | 148.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y218 A219 A220 | G216-Y218 VanDerWaalsContact C-N 3.33Å; G216-Y218 PolarHBondContact O-N 3.37Å; G216-A219 PolarHBondContact O-N 3.03Å; G216-A220 PolarHBondContact O-N 3.45Å |
| 217 | S | 87 | Confident | 89.3 | Confident | 104 Ų | 104 | 55.7 Ų | 55.7 | 73% | 0.727 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.8 | -42.6 | -178.2 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | A220 E221 | S217-A220 PolarHBondContact O-N 3.21Å; S217-E221 WeakPolarHBondContact O-CB 3.48Å; S217-E221 PolarHBondContact O-N 2.78Å |
| 218 | Y | 87.1 | Confident | 88.9 | Confident | 77 Ų | 77 | 55.4 Ų | 55.4 | 30% | 0.302 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 179.2 | -177.5 | -113.1 | 0 | 0 | 0 | 112.7 | H144 V147 G216 E221 M222 | H144-Y218 HydrophobicContact CB-CD1 3.86Å; H144-Y218 HydrophobicContact CB-CE1 3.95Å; H144-Y218 HydrophobicContact CB-CG 4.28Å; V147-Y218 HydrophobicContact CB-CE1 4.42Å; V147-Y218 HydrophobicContact CG2-CD1 3.89Å; V147-Y218 HydrophobicContact CG2-CE1 3.89Å; G216-Y218 VanDerWaalsContact C-N 3.33Å; G216-Y218 PolarHBondContact O-N 3.37Å; Y218-E221 PolarHBondContact O-N 3.32Å; Y218-M222 HydrophobicContact CD2-CG 4.45Å; Y218-M222 HydrophobicContact CE1-CG 4.16Å; Y218-M222 HydrophobicContact CE2-CG 4.09Å; Y218-M222 HydrophobicContact CE2-SD 4.21Å; Y218-M222 WeakPolarHBondContact O-CB 3.04Å; Y218-M222 VanDerWaalsContact O-CG 3.26Å; Y218-M222 WeakPolarHBondContact O-CG 3.42Å; Y218-M222 PolarHBondContact O-N 3.06Å |
| 219 | A | 88 | Confident | 88.1 | Confident | 2 Ų | 2 | 56.9 Ų | 56.9 | 2% | 0.017 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.9 | -37 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | V147 G212 R214 G216 M222 A223 | V147-A219 HydrophobicContact CG1-CB 4.42Å; V147-A219 HydrophobicContact CG2-CB 4.13Å; G212-A219 WeakPolarHBondContact CA-O 3.32Å; R214-A219 HydrophobicContact CG-CB 3.81Å; R214-A219 VanDerWaalsContact O-CB 3.28Å; R214-A219 WeakPolarHBondContact O-CB 3.06Å; G216-A219 PolarHBondContact O-N 3.03Å; A219-M222 PolarHBondContact O-N 2.95Å; A219-A223 WeakPolarHBondContact O-CB 3.3Å; A219-A223 PolarHBondContact O-N 3.36Å |
| 220 | A | 89.8 | Confident | 86.8 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G216 S217 A223 R224 | G216-A220 PolarHBondContact O-N 3.45Å; S217-A220 PolarHBondContact O-N 3.21Å; A220-A223 PolarHBondContact O-N 3Å; A220-R224 WeakPolarHBondContact O-CG 3.29Å; A220-R224 PolarHBondContact O-N 3.49Å |
| 221 | E | 86.4 | Confident | 85.3 | Confident | 107 Ų | 107 | 61.9 Ų | 61.9 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 175.4 | -174.4 | 175.7 | -168.2 | 0 | 0 | 111.7 | S217 Y218 A223 R224 | S217-E221 WeakPolarHBondContact O-CB 3.48Å; S217-E221 PolarHBondContact O-N 2.78Å; Y218-E221 PolarHBondContact O-N 3.32Å; E221-A223 VanDerWaalsContact C-N 3.31Å; E221-A223 PolarHBondContact O-N 3.29Å; E221-R224 WeakPolarHBondContact O-CB 3.04Å; E221-R224 PolarHBondContact O-N 2.83Å |
| 222 | M | 86.9 | Confident | 83.7 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 16% | 0.158 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 174.7 | -70.7 | -58.4 | -58.9 | 0 | 0 | 111.7 | V147 I177 Y218 A219 R224 S225 | V147-M222 HydrophobicContact CB-CB 4.31Å; V147-M222 HydrophobicContact CB-CG 4.26Å; V147-M222 HydrophobicContact CG1-CB 4.11Å; I177-M222 HydrophobicContact CD1-CB 3.96Å; Y218-M222 HydrophobicContact CD2-CG 4.45Å; Y218-M222 HydrophobicContact CE1-CG 4.16Å; Y218-M222 HydrophobicContact CE2-CG 4.09Å; Y218-M222 HydrophobicContact CE2-SD 4.21Å; Y218-M222 WeakPolarHBondContact O-CB 3.04Å; Y218-M222 VanDerWaalsContact O-CG 3.26Å; Y218-M222 WeakPolarHBondContact O-CG 3.42Å; Y218-M222 PolarHBondContact O-N 3.06Å; A219-M222 PolarHBondContact O-N 2.95Å; M222-R224 VanDerWaalsContact C-N 3.32Å; M222-R224 PolarHBondContact O-N 2.79Å; M222-S225 WeakPolarHBondContact O-CB 3.41Å; M222-S225 PolarHBondContact O-N 2.61Å; M222-S225 VanDerWaalsContact O-N 3.08Å; M222-S225 PolarHBondContact O-OG 2.79Å |
| 223 | A | 88.9 | Confident | 82 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 2% | 0.017 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.7 | -34.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A150 I210 E211 A219 A220 E221 S225 V226 | A150-A223 HydrophobicContact CB-CB 3.85Å; I210-A223 HydrophobicContact CG2-CB 4.18Å; I210-A223 WeakPolarHBondContact CG2-O 3.23Å; E211-A223 VanDerWaalsContact C-CB 3.48Å; E211-A223 WeakPolarHBondContact O-CB 2.97Å; A219-A223 WeakPolarHBondContact O-CB 3.3Å; A219-A223 PolarHBondContact O-N 3.36Å; A220-A223 PolarHBondContact O-N 3Å; E221-A223 VanDerWaalsContact C-N 3.31Å; E221-A223 PolarHBondContact O-N 3.29Å; A223-S225 PolarHBondContact O-N 3.38Å; A223-V226 WeakPolarHBondContact O-CB 3.09Å; A223-V226 PolarHBondContact O-N 3.08Å |
| 224 | R | 87.4 | Confident | 80.1 | Confident | 137 Ų | 137 | 75.2 Ų | 75.2 | 52% | 0.517 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -12.6 | 174.3 | -67.9 | 173.9 | -178.7 | 172.9 | -1.4 | 114 | T102 A220 E221 M222 V226 | T102-R224 HydrophobicContact CG2-CG 3.96Å; A220-R224 WeakPolarHBondContact O-CG 3.29Å; A220-R224 PolarHBondContact O-N 3.49Å; E221-R224 WeakPolarHBondContact O-CB 3.04Å; E221-R224 PolarHBondContact O-N 2.83Å; M222-R224 VanDerWaalsContact C-N 3.32Å; M222-R224 PolarHBondContact O-N 2.79Å; R224-V226 VanDerWaalsContact C-N 3.28Å |
| 225 | S | 85 | Confident | 78.3 | Confident | 24 Ų | 24 | 78.4 Ų | 78.4 | 17% | 0.168 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -19.5 | 173.8 | -57.6 | 0 | 0 | 0 | 0 | 112.6 | M222 A223 R227 | M222-S225 WeakPolarHBondContact O-CB 3.41Å; M222-S225 PolarHBondContact O-N 2.61Å; M222-S225 VanDerWaalsContact O-N 3.08Å; M222-S225 PolarHBondContact O-OG 2.79Å; A223-S225 PolarHBondContact O-N 3.38Å; S225-R227 PolarHBondContact O-N 3.42Å |
| 226 | V | 87.6 | Confident | 76.7 | Confident | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.012 | 42% | 0.417 | C | S | . | . | trans | -70.8 | 118.5 | 171.6 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | Q129 A150 I175 I177 I210 A223 R224 F228 | Q129-V226 HydrophobicContact CG-CG1 4.48Å; A150-V226 HydrophobicContact CB-CG2 3.74Å; I175-V226 HydrophobicContact CD1-CG1 3.92Å; I177-V226 HydrophobicContact CB-CG2 4.38Å; I177-V226 HydrophobicContact CG1-CG2 4.12Å; I177-V226 HydrophobicContact CG2-CG2 4.21Å; I210-V226 HydrophobicContact CD1-CG1 4.25Å; I210-V226 HydrophobicContact CG2-CB 4.14Å; A223-V226 WeakPolarHBondContact O-CB 3.09Å; A223-V226 PolarHBondContact O-N 3.08Å; R224-V226 VanDerWaalsContact C-N 3.28Å; V226-F228 HydrophobicContact CG1-CE2 4.06Å; V226-F228 HydrophobicContact CG1-CZ 4.03Å | ||
| 227 | R | 85 | Confident | 75.2 | Confident | 131 Ų | 131 | 80.2 Ų | 80.2 | 49% | 0.494 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 128.1 | 176.8 | -64.2 | -171.4 | -178.2 | -167.5 | 1.3 | 110 | Q129 R130 S225 | Q129-R227 WeakPolarHBondContact CA-O 3.5Å; R130-R227 PolarHBondContact N-O 2.89Å; S225-R227 PolarHBondContact O-N 3.42Å |
| 228 | F | 85.9 | Confident | 73.9 | Confident | 9 Ų | 9 | 79 Ų | 79 | 4% | 0.039 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 134.8 | 171.4 | -61.6 | -66.9 | 0 | 0 | 0 | 109.8 | L104 L127 Y128 Q129 V152 I175 K183 F185 V208 I210 V226 | L104-F228 HydrophobicContact CD1-CD2 4.23Å; L104-F228 HydrophobicContact CD2-CB 4.4Å; L127-F228 HydrophobicContact CB-CB 4.31Å; L127-F228 HydrophobicContact CB-CD1 3.46Å; L127-F228 VanDerWaalsContact CB-CD1 3.46Å; L127-F228 HydrophobicContact CB-CE1 3.83Å; L127-F228 HydrophobicContact CB-CG 3.9Å; L127-F228 HydrophobicContact CD1-CD1 4.34Å; L127-F228 HydrophobicContact CD1-CD2 4.13Å; L127-F228 HydrophobicContact CD1-CE1 4.43Å; L127-F228 HydrophobicContact CD1-CE2 4.22Å; L127-F228 HydrophobicContact CD1-CG 4.19Å; L127-F228 HydrophobicContact CD1-CZ 4.37Å; Y128-F228 CarbonylContact O-C 3.59Å; Y128-F228 VanDerWaalsContact O-CA 3.25Å; Y128-F228 WeakPolarHBondContact O-CA 3.08Å; Q129-F228 HydrophobicContact CB-CD1 4.09Å; Q129-F228 HydrophobicContact CB-CE1 3.95Å; V152-F228 HydrophobicContact CG1-CE2 4.27Å; V152-F228 HydrophobicContact CG1-CZ 4.31Å; V152-F228 HydrophobicContact CG2-CE2 4.44Å; V152-F228 HydrophobicContact CG2-CZ 4.3Å; I175-F228 HydrophobicContact CD1-CE1 4.47Å; I175-F228 HydrophobicContact CD1-CZ 3.94Å; K183-F228 HydrophobicContact CB-CE1 4.4Å; K183-F228 HydrophobicContact CG-CE1 4.32Å; F185-F228 HydrophobicContact CE2-CZ 4.4Å; F185-F228 HydrophobicContact CZ-CZ 4.3Å; V208-F228 HydrophobicContact CG1-CE2 4.22Å; I210-F228 HydrophobicContact CD1-CD2 4.16Å; I210-F228 HydrophobicContact CD1-CE2 3.99Å; I210-F228 HydrophobicContact CG1-CE2 4.39Å; V226-F228 HydrophobicContact CG1-CE2 4.06Å; V226-F228 HydrophobicContact CG1-CZ 4.03Å |
| 229 | T | 76 | Confident | 72.8 | Confident | 31 Ų | 31 | 75.7 Ų | 75.7 | 19% | 0.19 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | -178.9 | -172.7 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | Y128 R130 | Y128-T229 WeakPolarHBondContact CB-O 3.06Å; Y128-T229 HydrophobicContact CD1-CG2 4.22Å; Y128-T229 PolarHBondContact O-N 2.82Å; R130-T229 HydrophobicContact CB-CG2 3.5Å; R130-T229 HydrophobicContact CG-CG2 4.36Å |
| 230 | T | 69.1 | Low | 72.1 | Confident | 44 Ų | 44 | 81.8 Ų | 81.8 | 27% | 0.27 | 42% | 0.415 | S | S | . | . | trans | -68.5 | 156.5 | 171 | 43.3 | 0 | 0 | 0 | 0 | 111.8 | E232 | T230-E232 PolarHBondContact OG1-O 2.89Š| ||
| 231 | Q | 62.1 | Low | 71.7 | Confident | 118 Ų | 118 | 79.9 Ų | 79.9 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -74.4 | -31 | 162.5 | -173.6 | 171.6 | -9.9 | 0 | 0 | 112.4 | Y128 W182 | Y128-Q231 HydrophobicContact CE2-CG 4.42Å; W182-Q231 HydrophobicContact CZ2-CB 4.12Å |
| 232 | E | 59.4 | Low | 71.6 | Confident | 160 Ų | 160 | 77.6 Ų | 77.6 | 75% | 0.748 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -82.6 | 128.2 | -179.2 | -69.5 | -173.6 | 163 | 0 | 0 | 112.8 | T230 T234 | T230-E232 PolarHBondContact OG1-O 2.89Å; E232-T234 PolarHBondContact O-N 2.77Å |
| 233 | Q | 57.1 | Low | 71.6 | Confident | 175 Ų | 175 | 76.1 Ų | 76.1 | 82% | 0.818 | 38% | 0.382 | S | S | * | . | trans | -86.6 | 78.8 | -174.8 | -72.7 | 176.4 | 10.1 | 0 | 0 | 111.8 | ||||
| 234 | T | 50.6 | Low | 71.3 | Confident | 113 Ų | 113 | 76.7 Ų | 76.7 | 69% | 0.693 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -144.4 | 113.1 | 156.3 | 44.2 | 0 | 0 | 0 | 0 | 109.3 | E232 | E232-T234 PolarHBondContact O-N 2.77Š|
| 235 | D | 50.3 | Low | 70.8 | Confident | 154 Ų | 154 | 70.3 Ų | 70.3 | 82% | 0.824 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 61.8 | 163.7 | 178.8 | -70.3 | -34 | 0 | 0 | 0 | 117.3 | A237 | D235-A237 PolarHBondContact O-N 3.38Š|
| 236 | N | 53.8 | Low | 70.1 | Confident | 169 Ų | 169 | 71 Ų | 71 | 90% | 0.904 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -67.3 | 38.3 | 176.6 | -64.6 | -50.4 | 0 | 0 | 0 | 112.3 | ||
| 237 | A | 55.4 | Low | 69 | Low | 52 Ų | 52 | 71.4 Ų | 71.4 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -76.7 | 129.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | D235 G239 | D235-A237 PolarHBondContact O-N 3.38Å; A237-G239 PolarHBondContact O-N 2.78Å |
| 238 | L | 61 | Low | 67.6 | Low | 79 Ų | 79 | 65.8 Ų | 65.8 | 41% | 0.414 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 119.1 | 170.3 | -73.3 | 159.7 | 0 | 0 | 0 | 108.1 | Y96 | Y96-L238 HydrophobicContact CD2-CB 3.72Å; Y96-L238 HydrophobicContact CD2-CD1 4.34Å; Y96-L238 HydrophobicContact CE2-CB 3.6Å; Y96-L238 HydrophobicContact CG-CD1 4.5Å |
| 239 | G | 64 | Low | 66.1 | Low | 7 Ų | 7 | 67.9 Ų | 67.9 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 137 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y96 A237 | Y96-G239 WeakPolarHBondContact CE2-O 3.11Å; Y96-G239 PolarHBondContact OH-O 2.7Å; A237-G239 PolarHBondContact O-N 2.78Å |
| 240 | K | 72.8 | Confident | 64.9 | Low | 130 Ų | 130 | 69.3 Ų | 69.3 | 57% | 0.565 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 124.3 | 179.8 | -65.7 | -167 | 178.3 | -167.2 | 0 | 109 | ||
| 241 | P | 81.8 | Confident | 64 | Low | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.013 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 139 | 176.9 | 29.9 | -36.9 | 0 | 0 | 0 | 109.4 | G94 Y96 M106 F108 L125 L127 | G94-P241 PolarHBondContact N-O 2.78Å; G94-P241 WeakPolarHBondContact O-CD 3.45Å; Y96-P241 HydrophobicContact CE2-CG 4.46Å; M106-P241 HydrophobicContact CB-CG 4.07Å; M106-P241 HydrophobicContact CG-CB 4.21Å; M106-P241 HydrophobicContact CG-CG 3.76Å; M106-P241 HydrophobicContact SD-CB 3.28Å; M106-P241 WeakPolarHBondContact SD-CB 3.5Å; M106-P241 HydrophobicContact SD-CG 3.53Å; M106-P241 VanDerWaalsContact SD-CG 3.53Å; F108-P241 HydrophobicContact CE1-CB 4.3Å; F108-P241 HydrophobicContact CE1-CG 4.11Å; F108-P241 HydrophobicContact CZ-CB 3.97Å; F108-P241 HydrophobicContact CZ-CG 3.91Å; L125-P241 HydrophobicContact CD1-CB 4.38Å; L127-P241 HydrophobicContact CD2-CB 4.07Å |
| 242 | E | 83.1 | Confident | 63.1 | Low | 59 Ų | 59 | 74.5 Ų | 74.5 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.9 | -178 | -70.4 | 173.7 | -176.3 | 0 | 0 | 109.4 | D91 K126 | D91-E242 HydrophobicContact CB-CG 4.23Å; K126-E242 HydrophobicContact CB-CB 4.43Å; K126-E242 PolarHBondContact N-O 2.88Å |
| 243 | L | 86.4 | Confident | 62.2 | Low | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119.2 | 169.4 | 173.4 | 73.9 | 0 | 0 | 0 | 108.4 | I92 F108 M110 A123 V187 M204 L245 | I92-L243 HydrophobicContact CB-CB 4.15Å; I92-L243 HydrophobicContact CB-CD2 4.49Å; I92-L243 WeakPolarHBondContact CB-O 3.43Å; I92-L243 HydrophobicContact CD1-CD2 4.12Å; I92-L243 PolarHBondContact N-O 3.34Å; I92-L243 PolarHBondContact O-N 3.05Å; F108-L243 HydrophobicContact CB-CD2 4.31Å; F108-L243 HydrophobicContact CD1-CB 3.65Å; F108-L243 HydrophobicContact CD1-CD2 4.12Å; F108-L243 HydrophobicContact CE1-CB 3.53Å; F108-L243 HydrophobicContact CG-CB 4.39Å; F108-L243 HydrophobicContact CG-CD2 4.11Å; F108-L243 HydrophobicContact CZ-CB 4.19Å; M110-L243 HydrophobicContact CE-CD2 4.13Å; M110-L243 HydrophobicContact SD-CD2 3.63Å; A123-L243 HydrophobicContact CB-CD1 4.41Å; V187-L243 HydrophobicContact CG2-CD1 3.45Å; V187-L243 VanDerWaalsContact CG2-CD1 3.45Å; M204-L243 HydrophobicContact CE-CD1 4.07Å; M204-L243 HydrophobicContact CE-CD2 3.24Å; M204-L243 HydrophobicContact CE-CG 4.3Å; L243-L245 HydrophobicContact CD1-CD2 4.36Å; L243-L245 HydrophobicContact CD2-CD2 4.18Å; L243-L245 HydrophobicContact CG-CD2 4.07Å |
| 244 | I | 83 | Confident | 61.4 | Low | 14 Ų | 14 | 65.1 Ų | 65.1 | 7% | 0.072 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.8 | 179.2 | -60.9 | -179.7 | 0 | 0 | 0 | 108.3 | D91 A123 E124 K126 Y246 | D91-I244 WeakPolarHBondContact OD1-CG1 3.22Å; A123-I244 CarbonylContact C-O 3.56Å; A123-I244 VanDerWaalsContact CA-O 3.27Å; A123-I244 WeakPolarHBondContact CA-O 3.25Å; E124-I244 PolarHBondContact N-O 3.45Å; E124-I244 PolarHBondContact O-N 3.37Å; K126-I244 HydrophobicContact CD-CD1 3.51Å; K126-I244 HydrophobicContact CG-CD1 4.15Å; I244-Y246 HydrophobicContact CB-CE2 4.46Å; I244-Y246 HydrophobicContact CG2-CD2 4.27Å; I244-Y246 HydrophobicContact CG2-CE1 4.3Å; I244-Y246 HydrophobicContact CG2-CE2 3.65Å |
| 245 | L | 77.6 | Confident | 61 | Low | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.4 | 173.5 | -58 | -174.6 | 0 | 0 | 0 | 110.1 | I92 M110 I114 A123 V191 L243 T247 | I92-L245 HydrophobicContact CD1-CD1 3.43Å; I92-L245 VanDerWaalsContact CD1-CD1 3.43Å; I92-L245 HydrophobicContact CD1-CG 3.7Å; M110-L245 HydrophobicContact CE-CD1 3.89Å; M110-L245 HydrophobicContact CE-CD2 4.49Å; I114-L245 HydrophobicContact CG1-CD1 4.01Å; A123-L245 HydrophobicContact CB-CD2 3.6Å; V191-L245 HydrophobicContact CG1-CD2 4.28Å; V191-L245 HydrophobicContact CG2-CD2 3.96Å; L243-L245 HydrophobicContact CD1-CD2 4.36Å; L243-L245 HydrophobicContact CD2-CD2 4.18Å; L243-L245 HydrophobicContact CG-CD2 4.07Å; L245-T247 HydrophobicContact CB-CG2 4.34Å |
| 246 | Y | 71.1 | Confident | 60.7 | Low | 39 Ų | 39 | 57.1 Ų | 57.1 | 15% | 0.153 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 103.5 | 166.5 | -58.9 | -86.6 | 0 | 0 | 0 | 107.2 | L83 T121 M122 E124 I244 | L83-Y246 VanDerWaalsContact CD2-CB 3.44Å; L83-Y246 HydrophobicContact CD2-CD1 4Å; L83-Y246 HydrophobicContact CD2-CG 3.76Å; T121-Y246 PolarHBondContact N-O 3.23Å; T121-Y246 PolarHBondContact OG1-O 3.46Å; M122-Y246 HydrophobicContact CB-CD2 3.87Å; M122-Y246 HydrophobicContact CB-CG 4.32Å; M122-Y246 HydrophobicContact CG-CD2 4.04Å; M122-Y246 PolarHBondContact N-O 3.04Å; M122-Y246 PolarHBondContact O-N 2.58Å; M122-Y246 HydrophobicContact SD-CD2 4.45Å; E124-Y246 HydrophobicContact CG-CE2 4.16Å; I244-Y246 HydrophobicContact CB-CE2 4.46Å; I244-Y246 HydrophobicContact CG2-CD2 4.27Å; I244-Y246 HydrophobicContact CG2-CE1 4.3Å; I244-Y246 HydrophobicContact CG2-CE2 3.65Å |
| 247 | T | 63.8 | Low | 60.8 | Low | 10 Ų | 10 | 51 Ų | 51 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 134.3 | 177.8 | 54.9 | 0 | 0 | 0 | 0 | 109.9 | N89 I114 E119 V120 L245 | N89-T247 PolarHBondContact ND2-OG1 3.16Å; I114-T247 HydrophobicContact CG2-CG2 4.48Å; E119-T247 CarbonylContact O-C 3.57Å; E119-T247 WeakPolarHBondContact O-CA 3.45Å; V120-T247 HydrophobicContact CG2-CG2 4.23Å; L245-T247 HydrophobicContact CB-CG2 4.34Å |
| 248 | L | 55.3 | Low | 61.4 | Low | 13 Ų | 13 | 50.8 Ų | 50.8 | 7% | 0.068 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 116.2 | 169.8 | -167.2 | 74.9 | 0 | 0 | 0 | 108.2 | I82 S118 E119 T121 L250 Y253 | I82-L248 HydrophobicContact CG2-CD1 4.11Å; S118-L248 VanDerWaalsContact CA-O 3.28Å; S118-L248 WeakPolarHBondContact CA-O 3.35Å; S118-L248 WeakPolarHBondContact CB-O 3.47Å; E119-L248 PolarHBondContact N-O 3.01Å; E119-L248 PolarHBondContact O-N 3.21Å; T121-L248 HydrophobicContact CG2-CB 3.5Å; T121-L248 VanDerWaalsContact CG2-CB 3.5Å; T121-L248 HydrophobicContact CG2-CD2 4.43Å; T121-L248 HydrophobicContact CG2-CG 4.48Å; L248-L250 PolarHBondContact O-N 3.24Å; L248-Y253 HydrophobicContact CD1-CD2 4.18Å; L248-Y253 HydrophobicContact CD1-CG 3.84Å |
| 249 | N | 54.1 | Low | 61.9 | Low | 54 Ų | 54 | 48.8 Ų | 48.8 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 118.1 | 169.3 | -177.1 | -15 | 0 | 0 | 0 | 108.5 | E251 E252 Y253 G254 | N249-E251 PolarHBondContact O-N 2.9Å; N249-E251 VanDerWaalsContact OD1-CB 3.31Å; N249-E251 WeakPolarHBondContact OD1-CB 3.41Å; N249-E251 PolarHBondContact OD1-N 3.34Å; N249-E252 HydrophobicContact CB-CB 4.13Å; N249-E252 PolarHBondContact O-N 3.05Å; N249-Y253 PolarHBondContact O-N 3.34Å; N249-G254 PolarHBondContact O-N 3.42Å |
| 250 | L | 51.9 | Low | 62 | Low | 60 Ų | 60 | 53.6 Ų | 53.6 | 31% | 0.314 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -17.4 | -178.8 | -58 | 172.8 | 0 | 0 | 0 | 112.2 | N117 E119 L248 G254 | N117-L250 WeakPolarHBondContact O-CB 3.16Å; N117-L250 VanDerWaalsContact O-CG 3.28Å; N117-L250 WeakPolarHBondContact O-CG 3.36Å; N117-L250 PolarHBondContact O-N 2.73Å; E119-L250 HydrophobicContact CB-CD2 4.22Å; L248-L250 PolarHBondContact O-N 3.24Å; L250-G254 WeakPolarHBondContact O-CA 3.44Å; L250-G254 PolarHBondContact O-N 3.11Å |
| 251 | E | 49.8 | Very low | 61.4 | Low | 146 Ų | 146 | 52.3 Ų | 52.3 | 68% | 0.682 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -33.1 | 174.5 | -56.6 | -176.3 | 172.5 | 0 | 0 | 112.9 | N117 N249 | N117-E251 HydrophobicContact CB-CG 4.5Å; N117-E251 WeakPolarHBondContact ND2-CG 3.2Å; N117-E251 PolarHBondContact ND2-OE1 3.17Å; N249-E251 PolarHBondContact O-N 2.9Å; N249-E251 VanDerWaalsContact OD1-CB 3.31Å; N249-E251 WeakPolarHBondContact OD1-CB 3.41Å; N249-E251 PolarHBondContact OD1-N 3.34Å |
| 252 | E | 43.2 | Very low | 60.2 | Low | 126 Ų | 126 | 60 Ų | 60 | 59% | 0.589 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -37.5 | -175.4 | -170 | -177.2 | 163.2 | 0 | 0 | 112.6 | N249 | N249-E252 HydrophobicContact CB-CB 4.13Å; N249-E252 PolarHBondContact O-N 3.05Å |
| 253 | Y | 41.4 | Very low | 58.9 | Low | 115 Ų | 115 | 63.4 Ų | 63.4 | 45% | 0.451 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | -4.9 | -175.5 | -61 | -82.1 | 0 | 0 | 0 | 113.9 | L248 N249 | L248-Y253 HydrophobicContact CD1-CD2 4.18Å; L248-Y253 HydrophobicContact CD1-CG 3.84Å; N249-Y253 PolarHBondContact O-N 3.34Å |
| 254 | G | 39.9 | Very low | 57.4 | Low | 23 Ų | 23 | 69.8 Ų | 69.8 | 24% | 0.237 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -67.1 | 145.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | N249 L250 G256 | N249-G254 PolarHBondContact O-N 3.42Å; L250-G254 WeakPolarHBondContact O-CA 3.44Å; L250-G254 PolarHBondContact O-N 3.11Å; G254-G256 PolarHBondContact O-N 2.91Å |
| 255 | S | 42.3 | Very low | 56.3 | Low | 41 Ų | 41 | 76.5 Ų | 76.5 | 29% | 0.287 | 43% | 0.427 | S | S | . | . | trans | -58.4 | 119.9 | 149.7 | -179.7 | 0 | 0 | 0 | 0 | 104.2 | G257 | S255-G257 PolarHBondContact O-N 2.95Š| ||
| 256 | G | 43.8 | Very low | 55.9 | Low | 57 Ų | 57 | 81.8 Ų | 81.8 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | trans | -63.5 | 55.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G254 | G254-G256 PolarHBondContact O-N 2.91Š| ||
| 257 | G | 55.4 | Low | 56.2 | Low | 41 Ų | 41 | 83.7 Ų | 83.7 | 42% | 0.423 | 47% | 0.471 | S | S | . | . | trans | 56 | -170.5 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S255 | S255-G257 PolarHBondContact O-N 2.95Š| ||
| 258 | D | 67.5 | Low | 57.1 | Low | 48 Ų | 48 | 84.6 Ų | 84.6 | 26% | 0.257 | 48% | 0.477 | S | S | . | . | B | Isolated β-bridge | trans | -66.4 | 150.5 | 149.9 | -67.6 | -22.3 | 0 | 0 | 0 | 108.3 | D260 R270 | D258-D260 PolarHBondContact O-N 2.82Å; D258-D260 VanDerWaalsContact O-N 3.16Å; D258-R270 CarbonylContact C-O 3.37Å; D258-R270 WeakPolarHBondContact CA-O 3.36Å; D258-R270 WeakPolarHBondContact CB-O 3.26Å; D258-R270 IonicContact OD1-CZ 3.44Å; D258-R270 IonicContact OD1-NE 3.64Å; D258-R270 PolarHBondContact OD1-NE 3.28Å; D258-R270 IonicContact OD1-NH2 3.44Å; D258-R270 PolarHBondContact OD1-NH2 3.29Å; D258-R270 IonicContact OD2-NH2 2.79Å |
| 259 | C | 71.9 | Confident | 58.3 | Low | 37 Ų | 37 | 84.7 Ų | 84.7 | 25% | 0.25 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -51 | 122.9 | 179 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | A261 C269 R270 | C259-A261 PolarHBondContact O-N 2.87Å; C259-C269 HydrophobicContact CB-CB 4.03Å; C259-C269 WeakPolarHBondContact CB-SG 3.28Å; C259-C269 VanDerWaalsContact SG-C 3.51Å; C259-C269 WeakPolarHBondContact SG-CB 3.15Å; C259-C269 CovalentContact SG-SG 2.04Å; C259-C269 PolarHBondContact SG-SG 3.22Å; C259-R270 PolarHBondContact N-O 2.96Å |
| 260 | D | 65.9 | Low | 59.8 | Low | 107 Ų | 107 | 84 Ų | 84 | 57% | 0.572 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 129.2 | 174.7 | -104.3 | -20.6 | 0 | 0 | 0 | 110.3 | D258 N262 Q263 | D258-D260 PolarHBondContact O-N 2.82Å; D258-D260 VanDerWaalsContact O-N 3.16Å; D260-N262 PolarHBondContact O-N 3.44Å; D260-Q263 HydrophobicContact CB-CB 4.3Å; D260-Q263 HydrophobicContact CB-CG 4.07Å; D260-Q263 PolarHBondContact O-N 2.97Å; D260-Q263 PolarHBondContact OD2-NE2 2.88Å |
| 261 | A | 59.8 | Low | 61.3 | Low | 103 Ų | 103 | 84.3 Ų | 84.3 | 85% | 0.851 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | C259 | C259-A261 PolarHBondContact O-N 2.87Š|
| 262 | N | 57.1 | Low | 62.6 | Low | 165 Ų | 165 | 83.9 Ų | 83.9 | 88% | 0.882 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 2.3 | -171.8 | -73.2 | -15.1 | 0 | 0 | 0 | 114.8 | D260 | D260-N262 PolarHBondContact O-N 3.44Š|
| 263 | Q | 56.2 | Low | 64.5 | Low | 130 Ų | 130 | 81 Ų | 81 | 61% | 0.607 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -107.4 | 149.4 | 177.7 | -63.6 | -166 | 43 | 0 | 0 | 111.5 | D260 K265 | D260-Q263 HydrophobicContact CB-CB 4.3Å; D260-Q263 HydrophobicContact CB-CG 4.07Å; D260-Q263 PolarHBondContact O-N 2.97Å; D260-Q263 PolarHBondContact OD2-NE2 2.88Å; Q263-K265 PolarHBondContact O-N 2.84Å |
| 264 | N | 55 | Low | 66.1 | Low | 133 Ų | 133 | 81.1 Ų | 81.1 | 71% | 0.711 | 46% | 0.459 | S | S | * | . | trans | -53.4 | 125.1 | 175.9 | -89.2 | 6 | 0 | 0 | 0 | 110.1 | D266 | N264-D266 PolarHBondContact O-N 2.91Š| ||
| 265 | K | 60.1 | Low | 67.9 | Low | 156 Ų | 156 | 80.2 Ų | 80.2 | 68% | 0.678 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 19.1 | -179.1 | -65.2 | -175.6 | 174.4 | -166 | 0 | 114.7 | Q263 E271 G300 | Q263-K265 PolarHBondContact O-N 2.84Å; K265-E271 IonicContact NZ-OE1 2.86Å; K265-G300 VanDerWaalsContact O-CA 3.3Å; K265-G300 WeakPolarHBondContact O-CA 3.27Å |
| 266 | D | 68.7 | Low | 69.3 | Low | 114 Ų | 114 | 81.4 Ų | 81.4 | 61% | 0.61 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -11 | -169.9 | -63.1 | -26.2 | 0 | 0 | 0 | 112.8 | N264 G301 | N264-D266 PolarHBondContact O-N 2.91Å; D266-G301 CarbonylContact O-C 3.49Å; D266-G301 VanDerWaalsContact O-CA 3.29Å; D266-G301 WeakPolarHBondContact O-CA 3.11Å; D266-G301 PolarHBondContact O-N 3.23Å; D266-G301 VanDerWaalsContact O-N 3.11Å |
| 267 | T | 78.2 | Confident | 70.9 | Confident | 79 Ų | 79 | 78.7 Ų | 78.7 | 49% | 0.485 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -107.6 | 141.8 | 179.2 | 50.1 | 0 | 0 | 0 | 0 | 112 | C269 G301 | T267-C269 PolarHBondContact O-N 2.9Å; T267-G301 CarbonylContact C-O 3.57Å; T267-G301 WeakPolarHBondContact CA-O 3.3Å |
| 268 | C | 81.1 | Confident | 71.9 | Confident | 29 Ų | 29 | 81.1 Ų | 81.1 | 20% | 0.196 | 42% | 0.421 | C | S | . | . | trans | -59.8 | 117 | -179.7 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | T299 G301 C316 C353 | C268-T299 CarbonylContact C-O 3.6Å; C268-T299 VanDerWaalsContact CA-O 3.32Å; C268-T299 WeakPolarHBondContact CA-O 3.46Å; C268-G301 PolarHBondContact N-O 2.91Å; C268-C316 WeakPolarHBondContact CA-SG 3.32Å; C268-C316 HydrophobicContact CB-CB 3.62Å; C268-C316 WeakPolarHBondContact CB-SG 3.4Å; C268-C316 VanDerWaalsContact SG-CA 3.51Å; C268-C316 WeakPolarHBondContact SG-CB 3.28Å; C268-C316 CovalentContact SG-SG 2.03Å; C268-C316 PolarHBondContact SG-SG 3.19Å; C268-C353 VanDerWaalsContact CB-SG 3.52Å | ||
| 269 | C | 81 | Confident | 72.1 | Confident | 14 Ų | 14 | 82.3 Ų | 82.3 | 10% | 0.095 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 167.2 | -178 | 61 | 0 | 0 | 0 | 0 | 111.4 | C259 T267 C298 T299 | C259-C269 HydrophobicContact CB-CB 4.03Å; C259-C269 WeakPolarHBondContact CB-SG 3.28Å; C259-C269 VanDerWaalsContact SG-C 3.51Å; C259-C269 WeakPolarHBondContact SG-CB 3.15Å; C259-C269 CovalentContact SG-SG 2.04Å; C259-C269 PolarHBondContact SG-SG 3.22Å; T267-C269 PolarHBondContact O-N 2.9Å; C269-C298 WeakPolarHBondContact O-CA 3.3Å; C269-T299 PolarHBondContact N-O 2.83Å; C269-T299 PolarHBondContact O-N 2.8Å |
| 270 | R | 86.1 | Confident | 72.5 | Confident | 41 Ų | 41 | 81.8 Ų | 81.8 | 16% | 0.155 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 112.9 | 177.4 | -172.4 | 178.6 | 70.6 | 174 | 7.6 | 109.5 | D258 C259 F296 R297 V348 E349 | D258-R270 CarbonylContact C-O 3.37Å; D258-R270 WeakPolarHBondContact CA-O 3.36Å; D258-R270 WeakPolarHBondContact CB-O 3.26Å; D258-R270 IonicContact OD1-CZ 3.44Å; D258-R270 IonicContact OD1-NE 3.64Å; D258-R270 PolarHBondContact OD1-NE 3.28Å; D258-R270 IonicContact OD1-NH2 3.44Å; D258-R270 PolarHBondContact OD1-NH2 3.29Å; D258-R270 IonicContact OD2-NH2 2.79Å; C259-R270 PolarHBondContact N-O 2.96Å; R270-F296 HydrophobicContact CG-CB 3.68Å; R270-F296 HydrophobicContact CG-CD1 4.13Å; R270-F296 HydrophobicContact CG-CG 4.14Å; R270-R297 CarbonylContact C-O 3.57Å; R270-V348 WeakPolarHBondContact CD-O 3.47Å; R270-V348 HydrophobicContact CG-CG1 4.26Å; R270-E349 PolarHBondContact NH1-O 2.82Å; R270-E349 IonicContact NH1-OE2 3.06Å |
| 271 | E | 83.8 | Confident | 73.4 | Confident | 65 Ų | 65 | 82.2 Ų | 82.2 | 30% | 0.304 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 146.9 | 178 | -168.5 | 174.9 | -131.4 | 0 | 0 | 111.2 | K265 H273 F296 R297 T299 | K265-E271 IonicContact NZ-OE1 2.86Å; E271-H273 PolarHBondContact O-N 2.98Å; E271-F296 CarbonylContact O-C 3.54Å; E271-F296 VanDerWaalsContact O-CA 3.22Å; E271-F296 WeakPolarHBondContact O-CA 3.43Å; E271-F296 WeakPolarHBondContact O-CB 3.5Å; E271-R297 PolarHBondContact N-O 3.17Å; E271-R297 PolarHBondContact O-N 2.94Å; E271-T299 HydrophobicContact CB-CG2 4.07Å; E271-T299 WeakPolarHBondContact OE2-CG2 3.31Å |
| 272 | Q | 77.4 | Confident | 74.6 | Confident | 137 Ų | 137 | 78.9 Ų | 78.9 | 64% | 0.64 | 40% | 0.404 | S | S | * | . | trans | -67.5 | 123.3 | 172.4 | -70 | -172.6 | -2.3 | 0 | 0 | 110.7 | Q294 F296 | Q272-Q294 VanDerWaalsContact CB-NE2 3.34Å; Q272-F296 HydrophobicContact CG-CD1 4.32Å; Q272-F296 HydrophobicContact CG-CE1 4.08Å | ||
| 273 | H | 81.8 | Confident | 76 | Confident | 65 Ų | 65 | 71 Ų | 71 | 30% | 0.301 | 36% | 0.362 | S | S | . | . | trans | -139 | 111.8 | 176.2 | -173.3 | 62.3 | 0 | 0 | 0 | 109.4 | E271 A295 F296 R297 | E271-H273 PolarHBondContact O-N 2.98Å; H273-A295 PolarHBondContact O-N 3.35Å; H273-F296 PolarHBondContact O-N 3.48Å; H273-F296 VanDerWaalsContact O-N 3.1Å; H273-R297 HydrophobicContact CB-CB 4.16Å | ||
| 274 | F | 75.2 | Confident | 77 | Confident | 118 Ų | 118 | 67.3 Ų | 67.3 | 52% | 0.518 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 129.8 | 180 | -174.1 | -96 | 0 | 0 | 0 | 110.5 | N276 Y293 | F274-N276 HydrophobicContact CD1-CB 4.24Å; F274-N276 HydrophobicContact CE1-CB 3.88Å; F274-Y293 WeakPolarHBondContact CD2-O 3.11Å |
| 275 | I | 76.8 | Confident | 78.2 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.8 | 179.7 | -62.5 | -177.3 | 0 | 0 | 0 | 108.1 | M26 F277 L280 G292 Y293 A295 | M26-I275 HydrophobicContact CE-CD1 3.15Å; M26-I275 HydrophobicContact CE-CG1 4.21Å; M26-I275 HydrophobicContact CE-CG2 3.77Å; M26-I275 HydrophobicContact SD-CG2 4.27Å; I275-F277 HydrophobicContact CG2-CD1 4.38Å; I275-F277 HydrophobicContact CG2-CE1 4.2Å; I275-L280 HydrophobicContact CG2-CD1 4.15Å; I275-G292 CarbonylContact O-C 3.58Å; I275-G292 WeakPolarHBondContact O-CA 3.35Å; I275-Y293 HydrophobicContact CB-CD1 4.14Å; I275-Y293 HydrophobicContact CB-CE1 3.75Å; I275-Y293 HydrophobicContact CD1-CE1 4.36Å; I275-Y293 HydrophobicContact CG2-CD1 4.43Å; I275-Y293 HydrophobicContact CG2-CE1 3.84Å; I275-Y293 PolarHBondContact N-O 3.3Å; I275-Y293 PolarHBondContact O-N 2.94Å; I275-A295 HydrophobicContact CD1-CB 3.38Å; I275-A295 HydrophobicContact CG1-CB 3.84Å |
| 276 | N | 73.8 | Confident | 79.5 | Confident | 66 Ų | 66 | 57.8 Ų | 57.8 | 35% | 0.353 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 104.1 | 179.6 | -173.3 | -11 | 0 | 0 | 0 | 110 | F274 R278 A279 L280 A291 | F274-N276 HydrophobicContact CD1-CB 4.24Å; F274-N276 HydrophobicContact CE1-CB 3.88Å; N276-R278 PolarHBondContact O-N 3.2Å; N276-R278 WeakPolarHBondContact OD1-CA 3.49Å; N276-R278 VanDerWaalsContact OD1-CB 3.3Å; N276-R278 WeakPolarHBondContact OD1-CB 3.49Å; N276-R278 PolarHBondContact OD1-N 3.33Å; N276-A279 HydrophobicContact CB-CB 3.92Å; N276-A279 PolarHBondContact O-N 2.83Å; N276-A279 PolarHBondContact OD1-N 3.01Å; N276-L280 PolarHBondContact O-N 3.04Å; N276-A291 PolarHBondContact OD1-O 2.93Å |
| 277 | F | 76.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20 | 177.7 | -67 | -53.7 | 0 | 0 | 0 | 112.8 | M26 I275 L280 T283 Q284 I287 P290 A291 Y293 L324 I326 M346 | M26-F277 HydrophobicContact SD-CE1 4.02Å; I275-F277 HydrophobicContact CG2-CD1 4.38Å; I275-F277 HydrophobicContact CG2-CE1 4.2Å; F277-L280 HydrophobicContact CD1-CD1 4.45Å; F277-T283 WeakPolarHBondContact CA-OG1 3.46Å; F277-T283 HydrophobicContact CD1-CG2 3.91Å; F277-T283 HydrophobicContact CE1-CG2 4.43Å; F277-T283 CarbonylContact O-C 3.51Å; F277-T283 PolarHBondContact O-OG1 3.34Å; F277-Q284 VanDerWaalsContact O-CA 3.3Å; F277-Q284 WeakPolarHBondContact O-CA 3.19Å; F277-Q284 PolarHBondContact O-N 2.84Å; F277-I287 HydrophobicContact CB-CB 4.44Å; F277-I287 HydrophobicContact CB-CD1 4.43Å; F277-I287 HydrophobicContact CB-CG2 4.26Å; F277-I287 HydrophobicContact CD1-CD1 3.65Å; F277-I287 HydrophobicContact CD2-CD1 4.26Å; F277-I287 HydrophobicContact CD2-CG2 3.97Å; F277-I287 HydrophobicContact CE1-CD1 3.8Å; F277-I287 HydrophobicContact CE2-CD1 4.37Å; F277-I287 HydrophobicContact CG-CD1 3.88Å; F277-I287 HydrophobicContact CG-CG2 4.19Å; F277-I287 HydrophobicContact CZ-CD1 4.15Å; F277-P290 HydrophobicContact CD2-CG 4.45Å; F277-P290 WeakPolarHBondContact CD2-O 3.48Å; F277-P290 HydrophobicContact CE2-CG 4.19Å; F277-A291 PolarHBondContact N-O 3.38Å; F277-Y293 HydrophobicContact CD2-CD1 4.38Å; F277-Y293 HydrophobicContact CE1-CE1 4.16Å; F277-Y293 AromaticContact CE2-CD1 3.56Å; F277-Y293 HydrophobicContact CE2-CD1 3.56Å; F277-Y293 AromaticContact CE2-CE1 3.76Å; F277-Y293 HydrophobicContact CE2-CE1 3.76Å; F277-Y293 AromaticContact CZ-CD1 3.75Å; F277-Y293 HydrophobicContact CZ-CD1 3.75Å; F277-Y293 AromaticContact CZ-CE1 3.4Å; F277-Y293 HydrophobicContact CZ-CE1 3.4Å; F277-Y293 VanDerWaalsContact CZ-CE1 3.4Å; F277-L324 HydrophobicContact CE2-CD2 4.16Å; F277-L324 HydrophobicContact CZ-CD2 4.33Å; F277-I326 HydrophobicContact CE2-CD1 4.39Å; F277-I326 HydrophobicContact CZ-CD1 4.15Å; F277-M346 HydrophobicContact CZ-CE 4.3Å |
| 278 | R | 75.8 | Confident | 80.5 | Confident | 93 Ų | 93 | 49.6 Ų | 49.6 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -23 | 173.4 | -56 | -58.3 | -175.3 | -162.5 | -7.6 | 113.4 | N276 Q284 I287 I288 A291 | N276-R278 PolarHBondContact O-N 3.2Å; N276-R278 WeakPolarHBondContact OD1-CA 3.49Å; N276-R278 VanDerWaalsContact OD1-CB 3.3Å; N276-R278 WeakPolarHBondContact OD1-CB 3.49Å; N276-R278 PolarHBondContact OD1-N 3.33Å; R278-Q284 PolarHBondContact NH1-O 3.47Å; R278-Q284 VanDerWaalsContact NH1-O 3.08Å; R278-I287 PolarHBondContact NH1-O 2.85Å; R278-I287 PolarHBondContact NH2-O 3.38Å; R278-I288 PolarHBondContact NH2-O 2.78Å; R278-A291 HydrophobicContact CG-CB 4.13Å; R278-A291 PolarHBondContact N-O 3.45Å |
| 279 | A | 72.8 | Confident | 80.4 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 60% | 0.603 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -18 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N276 | N276-A279 HydrophobicContact CB-CB 3.92Å; N276-A279 PolarHBondContact O-N 2.83Å; N276-A279 PolarHBondContact OD1-N 3.01Å |
| 280 | L | 79.8 | Confident | 80.5 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 13% | 0.131 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -88.3 | 122.1 | -178.8 | -65.5 | 174.8 | 0 | 0 | 0 | 110.6 | I275 N276 F277 W282 T283 Q284 | I275-L280 HydrophobicContact CG2-CD1 4.15Å; N276-L280 PolarHBondContact O-N 3.04Å; F277-L280 HydrophobicContact CD1-CD1 4.45Å; L280-W282 HydrophobicContact CD1-CZ2 4.19Å; L280-W282 PolarHBondContact O-N 2.89Å; L280-W282 VanDerWaalsContact O-N 3.12Å; L280-T283 VanDerWaalsContact CB-OG1 3.29Å; L280-T283 WeakPolarHBondContact CB-OG1 3.38Å; L280-T283 PolarHBondContact O-N 3.24Å; L280-Q284 WeakPolarHBondContact O-CB 3.37Å; L280-Q284 PolarHBondContact O-N 2.81Å |
| 281 | T | 84.4 | Confident | 79.8 | Confident | 116 Ų | 116 | 52.5 Ų | 52.5 | 71% | 0.712 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -31.4 | -176 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | Q284 | T281-Q284 PolarHBondContact O-NE2 3.39Š|
| 282 | W | 86.8 | Confident | 79.3 | Confident | 34 Ų | 34 | 50.3 Ų | 50.3 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -8.8 | -178.9 | 68.9 | -89.7 | 0 | 0 | 0 | 114.3 | M26 K27 L30 V39 L280 W286 | M26-W282 HydrophobicContact CG-CH2 4.46Å; M26-W282 HydrophobicContact SD-CH2 4.18Å; M26-W282 HydrophobicContact SD-CZ2 4.02Å; K27-W282 HydrophobicContact CB-CD2 4.06Å; K27-W282 HydrophobicContact CB-CE3 4.04Å; K27-W282 HydrophobicContact CB-CH2 3.99Å; K27-W282 HydrophobicContact CB-CZ2 3.93Å; K27-W282 HydrophobicContact CB-CZ3 3.99Å; K27-W282 HydrophobicContact CD-CD2 4.22Å; K27-W282 HydrophobicContact CD-CE3 4.42Å; K27-W282 HydrophobicContact CD-CG 4.33Å; K27-W282 HydrophobicContact CG-CD2 4.05Å; K27-W282 HydrophobicContact CG-CE3 3.84Å; K27-W282 HydrophobicContact CG-CZ3 4.13Å; L30-W282 HydrophobicContact CD1-CH2 3.38Å; L30-W282 HydrophobicContact CD1-CZ3 3.83Å; V39-W282 VanDerWaalsContact CG1-O 3.29Å; V39-W282 WeakPolarHBondContact CG1-O 3.34Å; V39-W282 HydrophobicContact CG2-CB 4.41Å; V39-W282 HydrophobicContact CG2-CE3 4.39Å; L280-W282 HydrophobicContact CD1-CZ2 4.19Å; L280-W282 PolarHBondContact O-N 2.89Å; L280-W282 VanDerWaalsContact O-N 3.12Å; W282-W286 HydrophobicContact CE3-CZ2 4.3Å; W282-W286 AromaticContact CZ3-CZ2 3.94Å; W282-W286 HydrophobicContact CZ3-CZ2 3.94Å; W282-W286 VanDerWaalsContact O-CD1 3.25Å; W282-W286 PolarHBondContact O-NE1 3.26Å |
| 283 | T | 85.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | -22.4 | 177.8 | 49.4 | 0 | 0 | 0 | 0 | 115.3 | F277 L280 Y285 W286 I287 | F277-T283 WeakPolarHBondContact CA-OG1 3.46Å; F277-T283 HydrophobicContact CD1-CG2 3.91Å; F277-T283 HydrophobicContact CE1-CG2 4.43Å; F277-T283 CarbonylContact O-C 3.51Å; F277-T283 PolarHBondContact O-OG1 3.34Å; L280-T283 VanDerWaalsContact CB-OG1 3.29Å; L280-T283 WeakPolarHBondContact CB-OG1 3.38Å; L280-T283 PolarHBondContact O-N 3.24Å; T283-Y285 PolarHBondContact O-N 2.88Å; T283-W286 HydrophobicContact CG2-CZ2 4.33Å; T283-W286 PolarHBondContact O-N 3.06Å; T283-I287 HydrophobicContact CG2-CD1 3.45Å; T283-I287 VanDerWaalsContact CG2-CD1 3.45Å; T283-I287 HydrophobicContact CG2-CG1 4.17Å; T283-I287 PolarHBondContact O-N 2.98Å; T283-I287 VanDerWaalsContact O-N 3.12Å |
| 284 | Q | 76.9 | Confident | 78.9 | Confident | 51 Ų | 51 | 43.8 Ų | 43.8 | 24% | 0.238 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -30 | -170.3 | 57.9 | 178.7 | -7 | 0 | 0 | 115.9 | F277 R278 L280 T281 | F277-Q284 VanDerWaalsContact O-CA 3.3Å; F277-Q284 WeakPolarHBondContact O-CA 3.19Å; F277-Q284 PolarHBondContact O-N 2.84Å; R278-Q284 PolarHBondContact NH1-O 3.47Å; R278-Q284 VanDerWaalsContact NH1-O 3.08Å; L280-Q284 WeakPolarHBondContact O-CB 3.37Å; L280-Q284 PolarHBondContact O-N 2.81Å; T281-Q284 PolarHBondContact O-NE2 3.39Å |
| 285 | Y | 81.7 | Confident | 79.3 | Confident | 86 Ų | 86 | 38.4 Ų | 38.4 | 34% | 0.337 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | -9.4 | -173.8 | -56 | -44.4 | 0 | 0 | 0 | 115.4 | I42 K44 L47 T283 | I42-Y285 WeakPolarHBondContact CG2-O 3.27Å; I42-Y285 WeakPolarHBondContact O-CB 3.34Å; K44-Y285 HydrophobicContact CB-CD1 4.41Å; K44-Y285 HydrophobicContact CB-CE1 4.12Å; L47-Y285 WeakPolarHBondContact CD1-O 3.29Å; T283-Y285 PolarHBondContact O-N 2.88Å |
| 286 | W | 86.4 | Confident | 79.8 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | -16.9 | -178.2 | 71.9 | -84.6 | 0 | 0 | 0 | 113.5 | L34 P40 I42 W282 T283 Y328 L329 | L34-W286 HydrophobicContact CD1-CH2 3.73Å; L34-W286 HydrophobicContact CD1-CZ3 3.59Å; P40-W286 HydrophobicContact CB-CB 4.31Å; P40-W286 HydrophobicContact CB-CG 4.42Å; P40-W286 HydrophobicContact CG-CD2 4.18Å; P40-W286 HydrophobicContact CG-CE3 4.14Å; P40-W286 HydrophobicContact CG-CG 4.39Å; I42-W286 HydrophobicContact CB-CB 4.21Å; I42-W286 HydrophobicContact CG1-CB 3.77Å; W282-W286 HydrophobicContact CE3-CZ2 4.3Å; W282-W286 AromaticContact CZ3-CZ2 3.94Å; W282-W286 HydrophobicContact CZ3-CZ2 3.94Å; W282-W286 VanDerWaalsContact O-CD1 3.25Å; W282-W286 PolarHBondContact O-NE1 3.26Å; T283-W286 HydrophobicContact CG2-CZ2 4.33Å; T283-W286 PolarHBondContact O-N 3.06Å; W286-Y328 HydrophobicContact CE3-CD2 4.1Å; W286-Y328 HydrophobicContact CE3-CG 4.31Å; W286-Y328 AromaticContact CZ3-CD2 3.83Å; W286-Y328 HydrophobicContact CZ3-CD2 3.83Å; W286-Y328 HydrophobicContact CZ3-CG 4Å; W286-Y328 CarbonylContact O-C 3.54Å; W286-Y328 WeakPolarHBondContact O-CA 3.43Å; W286-Y328 WeakPolarHBondContact O-CB 3.43Å; W286-L329 HydrophobicContact CB-CB 4.32Å; W286-L329 PolarHBondContact O-N 3.01Å |
| 287 | I | 84.3 | Confident | 80.4 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 123.1 | 167.2 | -61.1 | -172.4 | 0 | 0 | 0 | 109.2 | F277 R278 T283 I326 | F277-I287 HydrophobicContact CB-CB 4.44Å; F277-I287 HydrophobicContact CB-CD1 4.43Å; F277-I287 HydrophobicContact CB-CG2 4.26Å; F277-I287 HydrophobicContact CD1-CD1 3.65Å; F277-I287 HydrophobicContact CD2-CD1 4.26Å; F277-I287 HydrophobicContact CD2-CG2 3.97Å; F277-I287 HydrophobicContact CE1-CD1 3.8Å; F277-I287 HydrophobicContact CE2-CD1 4.37Å; F277-I287 HydrophobicContact CG-CD1 3.88Å; F277-I287 HydrophobicContact CG-CG2 4.19Å; F277-I287 HydrophobicContact CZ-CD1 4.15Å; R278-I287 PolarHBondContact NH1-O 2.85Å; R278-I287 PolarHBondContact NH2-O 3.38Å; T283-I287 HydrophobicContact CG2-CD1 3.45Å; T283-I287 VanDerWaalsContact CG2-CD1 3.45Å; T283-I287 HydrophobicContact CG2-CG1 4.17Å; T283-I287 PolarHBondContact O-N 2.98Å; T283-I287 VanDerWaalsContact O-N 3.12Å; I287-I326 HydrophobicContact CD1-CG2 4.47Å; I287-I326 HydrophobicContact CG1-CG2 4.48Å; I287-I326 HydrophobicContact CG2-CG2 3.83Å |
| 288 | I | 82.9 | Confident | 80.9 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -51.2 | 179.7 | -53.3 | 165.5 | 0 | 0 | 0 | 109.9 | L50 R278 M327 L329 I338 | L50-I288 HydrophobicContact CD2-CD1 3.74Å; L50-I288 HydrophobicContact CD2-CG1 4.11Å; R278-I288 PolarHBondContact NH2-O 2.78Å; I288-M327 WeakPolarHBondContact CA-O 3.37Å; I288-M327 HydrophobicContact CB-CE 4.05Å; I288-M327 HydrophobicContact CB-CG 4.32Å; I288-M327 HydrophobicContact CD1-CG 4.22Å; I288-M327 HydrophobicContact CG2-CE 3.66Å; I288-M327 PolarHBondContact N-O 2.8Å; I288-L329 HydrophobicContact CD1-CD2 3.97Å; I288-L329 HydrophobicContact CD1-CG 3.92Å; I288-L329 HydrophobicContact CG1-CG 4.13Å; I288-I338 HydrophobicContact CD1-CB 4.37Å; I288-I338 HydrophobicContact CD1-CD1 4.15Å; I288-I338 HydrophobicContact CD1-CG1 3.96Å; I288-I338 HydrophobicContact CD1-CG2 3.57Å |
| 289 | E | 79 | Confident | 81.3 | Confident | 81 Ų | 81 | 39.3 Ų | 39.3 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 145.8 | 177.2 | -68.8 | -67.3 | 169.4 | 0 | 0 | 111 | Y60 I326 M327 | Y60-E289 HydrophobicContact CE1-CB 3.75Å; Y60-E289 HydrophobicContact CE1-CG 4.17Å; Y60-E289 HydrophobicContact CE2-CB 4.34Å; Y60-E289 WeakPolarHBondContact OH-CB 3.5Å; E289-I326 CarbonylContact O-C 3.57Å; E289-I326 WeakPolarHBondContact O-CA 3.4Å; E289-I326 WeakPolarHBondContact O-CG2 3.47Å; E289-M327 HydrophobicContact CB-CB 4.11Å; E289-M327 HydrophobicContact CB-CE 3.83Å; E289-M327 HydrophobicContact CG-CE 3.43Å; E289-M327 VanDerWaalsContact CG-CE 3.43Å; E289-M327 PolarHBondContact N-O 2.78Å; E289-M327 VanDerWaalsContact N-O 3.1Å; E289-M327 PolarHBondContact O-N 2.96Å |
| 290 | P | 83.1 | Confident | 81.8 | Confident | 19 Ų | 19 | 37.5 Ų | 37.5 | 12% | 0.123 | 20% | 0.203 | C | C | . | . | cis | -72.4 | 161.9 | -8.2 | 32.9 | -36.1 | 0 | 0 | 0 | 111.7 | F277 G292 L324 | F277-P290 HydrophobicContact CD2-CG 4.45Å; F277-P290 WeakPolarHBondContact CD2-O 3.48Å; F277-P290 HydrophobicContact CE2-CG 4.19Å; P290-G292 PolarHBondContact O-N 2.82Å; P290-L324 HydrophobicContact CG-CD1 4.39Å; P290-L324 HydrophobicContact CG-CD2 4.3Å | ||
| 291 | A | 72.1 | Confident | 81.8 | Confident | 45 Ų | 45 | 37.9 Ų | 37.9 | 37% | 0.372 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -67.6 | -26.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N276 F277 R278 | N276-A291 PolarHBondContact OD1-O 2.93Å; F277-A291 PolarHBondContact N-O 3.38Å; R278-A291 HydrophobicContact CG-CB 4.13Å; R278-A291 PolarHBondContact N-O 3.45Å |
| 292 | G | 73.2 | Confident | 81.4 | Confident | 18 Ų | 18 | 33.2 Ų | 33.2 | 19% | 0.186 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.4 | 165.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | I275 P290 | I275-G292 CarbonylContact O-C 3.58Å; I275-G292 WeakPolarHBondContact O-CA 3.35Å; P290-G292 PolarHBondContact O-N 2.82Å |
| 293 | Y | 74.5 | Confident | 80.8 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 157.9 | -176.8 | 77.1 | -77.2 | 0 | 0 | 0 | 111.7 | F274 I275 F277 A295 L324 M346 I347 | F274-Y293 WeakPolarHBondContact CD2-O 3.11Å; I275-Y293 HydrophobicContact CB-CD1 4.14Å; I275-Y293 HydrophobicContact CB-CE1 3.75Å; I275-Y293 HydrophobicContact CD1-CE1 4.36Å; I275-Y293 HydrophobicContact CG2-CD1 4.43Å; I275-Y293 HydrophobicContact CG2-CE1 3.84Å; I275-Y293 PolarHBondContact N-O 3.3Å; I275-Y293 PolarHBondContact O-N 2.94Å; F277-Y293 HydrophobicContact CD2-CD1 4.38Å; F277-Y293 HydrophobicContact CE1-CE1 4.16Å; F277-Y293 AromaticContact CE2-CD1 3.56Å; F277-Y293 HydrophobicContact CE2-CD1 3.56Å; F277-Y293 AromaticContact CE2-CE1 3.76Å; F277-Y293 HydrophobicContact CE2-CE1 3.76Å; F277-Y293 AromaticContact CZ-CD1 3.75Å; F277-Y293 HydrophobicContact CZ-CD1 3.75Å; F277-Y293 AromaticContact CZ-CE1 3.4Å; F277-Y293 HydrophobicContact CZ-CE1 3.4Å; F277-Y293 VanDerWaalsContact CZ-CE1 3.4Å; Y293-A295 HydrophobicContact CD2-CB 4.2Å; Y293-A295 HydrophobicContact CE2-CB 3.45Å; Y293-A295 VanDerWaalsContact CE2-CB 3.45Å; Y293-A295 PolarHBondContact O-N 2.93Å; Y293-L324 HydrophobicContact CD1-CD2 3.49Å; Y293-L324 VanDerWaalsContact CD1-CD2 3.49Å; Y293-L324 HydrophobicContact CD2-CD1 4.32Å; Y293-L324 HydrophobicContact CD2-CD2 3.79Å; Y293-L324 HydrophobicContact CE1-CD2 3.69Å; Y293-L324 HydrophobicContact CE2-CD2 3.95Å; Y293-L324 HydrophobicContact CG-CD1 4.28Å; Y293-L324 HydrophobicContact CG-CD2 3.54Å; Y293-M346 HydrophobicContact CE1-CE 4.19Å; Y293-M346 HydrophobicContact CE2-CB 4.41Å; Y293-M346 VanDerWaalsContact CE2-O 3.23Å; Y293-M346 WeakPolarHBondContact CE2-O 3.4Å; Y293-M346 VanDerWaalsContact OH-CE 3.29Å; Y293-M346 WeakPolarHBondContact OH-CE 3.41Å; Y293-M346 PolarHBondContact OH-O 3.32Å; Y293-M346 VanDerWaalsContact OH-O 3.12Å; Y293-I347 HydrophobicContact CD2-CD1 4.47Å; Y293-I347 HydrophobicContact CD2-CG1 3.93Å; Y293-I347 HydrophobicContact CE2-CG1 3.89Å |
| 294 | Q | 76.8 | Confident | 80.2 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 24% | 0.243 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 105 | 175.2 | -173.2 | 66 | 15 | 0 | 0 | 109.2 | Q272 F296 I347 | Q272-Q294 VanDerWaalsContact CB-NE2 3.34Å; Q294-F296 HydrophobicContact CB-CE2 4.11Å; Q294-F296 HydrophobicContact CB-CZ 4.39Å; Q294-F296 HydrophobicContact CG-CD1 4.09Å; Q294-F296 HydrophobicContact CG-CD2 3.71Å; Q294-F296 HydrophobicContact CG-CE1 3.69Å; Q294-F296 HydrophobicContact CG-CE2 3.27Å; Q294-F296 HydrophobicContact CG-CG 4.09Å; Q294-F296 HydrophobicContact CG-CZ 3.26Å; Q294-I347 WeakPolarHBondContact O-CG2 3.28Å |
| 295 | A | 83.4 | Confident | 79.4 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | trans | -87.6 | -32.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H273 I275 Y293 V348 | H273-A295 PolarHBondContact O-N 3.35Å; I275-A295 HydrophobicContact CD1-CB 3.38Å; I275-A295 HydrophobicContact CG1-CB 3.84Å; Y293-A295 HydrophobicContact CD2-CB 4.2Å; Y293-A295 HydrophobicContact CE2-CB 3.45Å; Y293-A295 VanDerWaalsContact CE2-CB 3.45Å; Y293-A295 PolarHBondContact O-N 2.93Å; A295-V348 PolarHBondContact O-N 3.2Å | ||
| 296 | F | 86.3 | Confident | 78.2 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | trans | 59.2 | 164.7 | -169.3 | -53.6 | -89.7 | 0 | 0 | 0 | 113.3 | R270 E271 Q272 H273 Q294 I347 V348 | R270-F296 HydrophobicContact CG-CB 3.68Å; R270-F296 HydrophobicContact CG-CD1 4.13Å; R270-F296 HydrophobicContact CG-CG 4.14Å; E271-F296 CarbonylContact O-C 3.54Å; E271-F296 VanDerWaalsContact O-CA 3.22Å; E271-F296 WeakPolarHBondContact O-CA 3.43Å; E271-F296 WeakPolarHBondContact O-CB 3.5Å; Q272-F296 HydrophobicContact CG-CD1 4.32Å; Q272-F296 HydrophobicContact CG-CE1 4.08Å; H273-F296 PolarHBondContact O-N 3.48Å; H273-F296 VanDerWaalsContact O-N 3.1Å; Q294-F296 HydrophobicContact CB-CE2 4.11Å; Q294-F296 HydrophobicContact CB-CZ 4.39Å; Q294-F296 HydrophobicContact CG-CD1 4.09Å; Q294-F296 HydrophobicContact CG-CD2 3.71Å; Q294-F296 HydrophobicContact CG-CE1 3.69Å; Q294-F296 HydrophobicContact CG-CE2 3.27Å; Q294-F296 HydrophobicContact CG-CG 4.09Å; Q294-F296 HydrophobicContact CG-CZ 3.26Å; F296-I347 HydrophobicContact CD2-CG2 3.91Å; F296-I347 HydrophobicContact CE2-CG2 4.32Å; F296-V348 HydrophobicContact CB-CB 4.11Å | ||
| 297 | R | 86.9 | Confident | 76.7 | Confident | 106 Ų | 106 | 59.8 Ų | 59.8 | 40% | 0.4 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 141.3 | 178.7 | 178.6 | 174.1 | 167.4 | -171.6 | -10.2 | 110.8 | A20 R270 E271 H273 T299 | A20-R297 VanDerWaalsContact CB-NH1 3.32Å; R270-R297 CarbonylContact C-O 3.57Å; E271-R297 PolarHBondContact N-O 3.17Å; E271-R297 PolarHBondContact O-N 2.94Å; H273-R297 HydrophobicContact CB-CB 4.16Å; R297-T299 HydrophobicContact CG-CG2 4.09Å |
| 298 | C | 86.3 | Confident | 74.9 | Confident | 20 Ų | 20 | 67.6 Ų | 67.6 | 14% | 0.135 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 126.8 | 170.8 | -58.1 | 0 | 0 | 0 | 0 | 110.5 | C269 C351 | C269-C298 WeakPolarHBondContact O-CA 3.3Å; C298-C351 WeakPolarHBondContact CA-SG 3.41Å; C298-C351 HydrophobicContact CB-CB 3.74Å; C298-C351 WeakPolarHBondContact CB-SG 3.27Å; C298-C351 WeakPolarHBondContact SG-CA 3.5Å; C298-C351 WeakPolarHBondContact SG-CB 3.31Å; C298-C351 CovalentContact SG-SG 2.03Å; C298-C351 PolarHBondContact SG-SG 2.56Å |
| 299 | T | 85.4 | Confident | 73.3 | Confident | 28 Ų | 28 | 73.6 Ų | 73.6 | 17% | 0.172 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 170.4 | 178.2 | 63.6 | 0 | 0 | 0 | 0 | 110.5 | C268 C269 E271 R297 C316 | C268-T299 CarbonylContact C-O 3.6Å; C268-T299 VanDerWaalsContact CA-O 3.32Å; C268-T299 WeakPolarHBondContact CA-O 3.46Å; C269-T299 PolarHBondContact N-O 2.83Å; C269-T299 PolarHBondContact O-N 2.8Å; E271-T299 HydrophobicContact CB-CG2 4.07Å; E271-T299 WeakPolarHBondContact OE2-CG2 3.31Å; R297-T299 HydrophobicContact CG-CG2 4.09Å; T299-C316 PolarHBondContact O-SG 2.95Å |
| 300 | G | 83.1 | Confident | 72.1 | Confident | 35 Ų | 35 | 75.8 Ų | 75.8 | 36% | 0.361 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 90.9 | 175.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K265 | K265-G300 VanDerWaalsContact O-CA 3.3Å; K265-G300 WeakPolarHBondContact O-CA 3.27Å |
| 301 | G | 78.3 | Confident | 70.6 | Confident | 34 Ų | 34 | 83.3 Ų | 83.3 | 35% | 0.351 | 42% | 0.422 | S | S | . | . | trans | -100 | 160.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | D266 T267 C268 | D266-G301 CarbonylContact O-C 3.49Å; D266-G301 VanDerWaalsContact O-CA 3.29Å; D266-G301 WeakPolarHBondContact O-CA 3.11Å; D266-G301 PolarHBondContact O-N 3.23Å; D266-G301 VanDerWaalsContact O-N 3.11Å; T267-G301 CarbonylContact C-O 3.57Å; T267-G301 WeakPolarHBondContact CA-O 3.3Å; C268-G301 PolarHBondContact N-O 2.91Å | ||
| 302 | C | 76.4 | Confident | 70.2 | Confident | 18 Ų | 18 | 83.7 Ų | 83.7 | 12% | 0.122 | 43% | 0.43 | C | S | . | . | trans | -111.2 | 130.8 | 171.6 | -68.9 | 0 | 0 | 0 | 0 | 109.7 | Q304 R314 C316 C353 | C302-Q304 PolarHBondContact O-N 2.93Å; C302-Q304 PolarHBondContact O-NE2 3.45Å; C302-Q304 VanDerWaalsContact O-NE2 3.11Å; C302-R314 HydrophobicContact CB-CB 3.92Å; C302-R314 WeakPolarHBondContact CB-O 3.47Å; C302-C316 PolarHBondContact SG-N 3.29Å; C302-C316 VanDerWaalsContact SG-N 3.36Å; C302-C353 VanDerWaalsContact CA-SG 3.58Å; C302-C353 HydrophobicContact CB-CB 3.78Å; C302-C353 WeakPolarHBondContact CB-SG 3.16Å; C302-C353 WeakPolarHBondContact SG-CA 3.47Å; C302-C353 WeakPolarHBondContact SG-CB 3.06Å; C302-C353 CovalentContact SG-SG 2.03Å; C302-C353 PolarHBondContact SG-SG 2.85Å | ||
| 303 | K | 75.4 | Confident | 70.1 | Confident | 181 Ų | 181 | 88.6 Ų | 88.6 | 79% | 0.787 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -64 | 124.5 | 172.9 | -71.1 | -176.2 | 180 | 174.1 | 0 | 109.3 | ||
| 304 | Q | 71 | Confident | 70 | Confident | 82 Ų | 82 | 93 Ų | 93 | 38% | 0.383 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 144.3 | 178.1 | -57.3 | -54.7 | -33.8 | 0 | 0 | 110.6 | C302 R314 | C302-Q304 PolarHBondContact O-N 2.93Å; C302-Q304 PolarHBondContact O-NE2 3.45Å; C302-Q304 VanDerWaalsContact O-NE2 3.11Å; Q304-R314 PolarHBondContact NE2-O 3.22Å |
| 305 | P | 61.7 | Low | 70.2 | Confident | 74 Ų | 74 | 94.7 Ų | 94.7 | 48% | 0.481 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 138.7 | 174.6 | 25.4 | -32 | 0 | 0 | 0 | 110.7 | R307 | P305-R307 PolarHBondContact O-N 3.28Å; P305-R307 VanDerWaalsContact O-N 3.08Å |
| 306 | K | 56.3 | Low | 70.1 | Confident | 218 Ų | 218 | 95.7 Ų | 95.7 | 95% | 0.948 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -65.4 | -12 | -176.7 | -67.2 | -175.3 | 177.8 | -178.8 | 0 | 114.7 | ||
| 307 | R | 53.7 | Low | 70 | Confident | 178 Ų | 178 | 96.7 Ų | 96.7 | 67% | 0.672 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -117.9 | 116.5 | 177.6 | -71.4 | -175 | 177.6 | -178 | -0.6 | 108.6 | P305 Y309 | P305-R307 PolarHBondContact O-N 3.28Å; P305-R307 VanDerWaalsContact O-N 3.08Å; R307-Y309 HydrophobicContact CB-CD2 3.98Å; R307-Y309 HydrophobicContact CB-CE2 3.52Å; R307-Y309 HydrophobicContact CG-CE2 4.45Å; R307-Y309 WeakPolarHBondContact O-CD2 3.45Å; R307-Y309 PolarHBondContact O-N 2.9Å |
| 308 | N | 47.6 | Very low | 70 | Confident | 164 Ų | 164 | 94.6 Ų | 94.6 | 88% | 0.877 | 48% | 0.482 | S | S | * | . | trans | -70.9 | 80 | 174.3 | -77.9 | -2.8 | 0 | 0 | 0 | 109.8 | ||||
| 309 | Y | 48.7 | Very low | 69.9 | Low | 147 Ų | 147 | 96 Ų | 96 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | trans | -73.1 | 137.5 | 153.8 | -58.8 | -80.6 | 0 | 0 | 0 | 106.2 | R307 Y311 | R307-Y309 HydrophobicContact CB-CD2 3.98Å; R307-Y309 HydrophobicContact CB-CE2 3.52Å; R307-Y309 HydrophobicContact CG-CE2 4.45Å; R307-Y309 WeakPolarHBondContact O-CD2 3.45Å; R307-Y309 PolarHBondContact O-N 2.9Å; Y309-Y311 PolarHBondContact O-N 3.2Å | ||
| 310 | S | 53.7 | Low | 69.9 | Low | 126 Ų | 126 | 97.1 Ų | 97.1 | 88% | 0.881 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -62.8 | 28.2 | -169.7 | 37.7 | 0 | 0 | 0 | 0 | 116.5 | ||
| 311 | Y | 52.3 | Low | 70 | Confident | 177 Ų | 177 | 96.8 Ų | 96.8 | 69% | 0.694 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -97.6 | 7.7 | -172 | -66.4 | -75.9 | 0 | 0 | 0 | 115 | Y309 | Y309-Y311 PolarHBondContact O-N 3.2Š|
| 312 | G | 64.1 | Low | 70.4 | Confident | 53 Ų | 53 | 95.2 Ų | 95.2 | 55% | 0.546 | 47% | 0.472 | S | S | . | . | trans | 85.6 | 174.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 313 | E | 69.5 | Low | 71.1 | Confident | 122 Ų | 122 | 95.3 Ų | 95.3 | 57% | 0.57 | 47% | 0.472 | S | S | * | . | trans | -85.4 | 143.7 | -178.5 | -66.8 | -176.9 | 166.9 | 0 | 0 | 111.7 | ||||
| 314 | R | 73.5 | Confident | 71.7 | Confident | 105 Ų | 105 | 87.3 Ų | 87.3 | 40% | 0.396 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 135.2 | 172 | -65.1 | 179.2 | 74 | -176.3 | 5.4 | 110.1 | C302 Q304 C353 M354 L355 | C302-R314 HydrophobicContact CB-CB 3.92Å; C302-R314 WeakPolarHBondContact CB-O 3.47Å; Q304-R314 PolarHBondContact NE2-O 3.22Å; R314-C353 PolarHBondContact NE-O 2.82Å; R314-C353 PolarHBondContact NH2-O 2.96Å; R314-M354 CarbonylContact C-O 3.58Å; R314-M354 VanDerWaalsContact CA-O 3.31Å; R314-M354 WeakPolarHBondContact CA-O 3.46Å; R314-L355 HydrophobicContact CG-CD2 3.64Å; R314-L355 HydrophobicContact CG-CG 4.23Å |
| 315 | R | 80 | Confident | 72.6 | Confident | 88 Ų | 88 | 83.4 Ų | 83.4 | 33% | 0.332 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 152.2 | 175.2 | -62.3 | -164.6 | -177.3 | 128.1 | 1.6 | 112 | V317 C353 M354 D356 | R315-V317 HydrophobicContact CB-CG1 4.32Å; R315-V317 PolarHBondContact O-N 2.94Å; R315-C353 WeakPolarHBondContact O-CA 3.47Å; R315-M354 PolarHBondContact N-O 2.87Å; R315-M354 PolarHBondContact O-N 2.91Å; R315-D356 VanDerWaalsContact CD-OD1 3.3Å; R315-D356 WeakPolarHBondContact CD-OD1 3.4Å; R315-D356 IonicContact CZ-OD1 3.96Å; R315-D356 IonicContact CZ-OD2 3.16Å; R315-D356 IonicContact NE-OD1 3.74Å; R315-D356 IonicContact NE-OD2 2.74Å; R315-D356 PolarHBondContact NE-OD2 3.46Å; R315-D356 IonicContact NH1-OD1 3.85Å; R315-D356 PolarHBondContact NH1-OD1 2.92Å; R315-D356 IonicContact NH1-OD2 3.86Å; R315-D356 PolarHBondContact NH1-OD2 2.74Å; R315-D356 IonicContact NH2-OD2 2.73Å; R315-D356 PolarHBondContact NH2-OD2 3.03Å |
| 316 | C | 81.6 | Confident | 73.9 | Confident | 26 Ų | 26 | 80 Ų | 80 | 18% | 0.176 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 111.5 | 175.8 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | C268 T299 C302 | C268-C316 WeakPolarHBondContact CA-SG 3.32Å; C268-C316 HydrophobicContact CB-CB 3.62Å; C268-C316 WeakPolarHBondContact CB-SG 3.4Å; C268-C316 VanDerWaalsContact SG-CA 3.51Å; C268-C316 WeakPolarHBondContact SG-CB 3.28Å; C268-C316 CovalentContact SG-SG 2.03Å; C268-C316 PolarHBondContact SG-SG 3.19Å; T299-C316 PolarHBondContact O-SG 2.95Å; C302-C316 PolarHBondContact SG-N 3.29Å; C302-C316 VanDerWaalsContact SG-N 3.36Å |
| 317 | V | 84.9 | Confident | 75.2 | Confident | 48 Ų | 48 | 70 Ų | 70 | 29% | 0.291 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 162.6 | -173.8 | -66.2 | 0 | 0 | 0 | 0 | 110.9 | R315 S319 C351 A352 M354 | R315-V317 HydrophobicContact CB-CG1 4.32Å; R315-V317 PolarHBondContact O-N 2.94Å; V317-S319 PolarHBondContact O-N 2.92Å; V317-C351 WeakPolarHBondContact O-CA 3.28Å; V317-A352 WeakPolarHBondContact CG2-O 3.17Å; V317-A352 PolarHBondContact N-O 2.87Å; V317-A352 PolarHBondContact O-N 3.01Å; V317-M354 HydrophobicContact CB-CE 4.47Å; V317-M354 HydrophobicContact CG2-CB 3.65Å; V317-M354 HydrophobicContact CG2-CE 3.34Å; V317-M354 HydrophobicContact CG2-CG 3.74Å; V317-M354 HydrophobicContact CG2-SD 4.38Å |
| 318 | V | 86.6 | Confident | 76.9 | Confident | 63 Ų | 63 | 62 Ų | 62 | 38% | 0.382 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 119.5 | 174.7 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | E320 V348 | V318-E320 WeakPolarHBondContact CG1-O 3.31Å; V318-V348 HydrophobicContact CG1-CG1 4.19Å; V318-V348 HydrophobicContact CG1-CG2 4.28Å; V318-V348 HydrophobicContact CG2-CG1 4.16Å; V318-V348 HydrophobicContact CG2-CG2 3.72Å |
| 319 | S | 84.3 | Confident | 78.8 | Confident | 49 Ų | 49 | 54.3 Ų | 54.3 | 34% | 0.343 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -29.3 | 175.8 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | V317 R350 | V317-S319 PolarHBondContact O-N 2.92Å; S319-R350 PolarHBondContact N-O 2.86Å; S319-R350 VanDerWaalsContact OG-C 3.29Å; S319-R350 WeakPolarHBondContact OG-CB 3.5Å; S319-R350 PolarHBondContact OG-O 2.91Å |
| 320 | E | 84.4 | Confident | 80.6 | Confident | 51 Ų | 51 | 48 Ų | 48 | 24% | 0.238 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 139.2 | 178.7 | -168.2 | 176.8 | 174.8 | 0 | 0 | 110.2 | V318 E349 R350 | V318-E320 WeakPolarHBondContact CG1-O 3.31Å; E320-E349 HydrophobicContact CB-CB 4.14Å; E320-E349 HydrophobicContact CG-CB 4.05Å; E320-E349 PolarHBondContact O-N 2.74Å; E320-R350 HydrophobicContact CB-CB 3.94Å; E320-R350 HydrophobicContact CB-CG 4.28Å; E320-R350 PolarHBondContact N-O 2.63Å; E320-R350 PolarHBondContact O-N 2.83Å; E320-R350 VanDerWaalsContact O-N 3.14Å; E320-R350 WeakPolarHBondContact OE2-CD 3.45Å; E320-R350 IonicContact OE2-CZ 3.06Å; E320-R350 IonicContact OE2-NE 2.81Å; E320-R350 IonicContact OE2-NH1 2.77Å; E320-R350 PolarHBondContact OE2-NH1 3.46Å |
| 321 | S | 86.9 | Confident | 82 | Confident | 29 Ų | 29 | 47.9 Ų | 47.9 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 161 | 176.9 | 65.5 | 0 | 0 | 0 | 0 | 112.2 | N345 I347 | S321-N345 WeakPolarHBondContact OG-CA 3.38Å; S321-N345 PolarHBondContact OG-OD1 3Å; S321-I347 CarbonylContact C-O 3.57Å; S321-I347 WeakPolarHBondContact CA-O 3.07Å; S321-I347 VanDerWaalsContact CB-O 3.31Å; S321-I347 WeakPolarHBondContact CB-O 3.35Å |
| 322 | S | 86.4 | Confident | 83.4 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 151.8 | 179.5 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | R71 M346 I347 E349 | R71-S322 PolarHBondContact NE-OG 3.17Å; S322-M346 PolarHBondContact O-N 3.37Å; S322-M346 VanDerWaalsContact O-N 3.16Å; S322-I347 PolarHBondContact N-O 2.8Å; S322-I347 PolarHBondContact O-N 2.64Å; S322-I347 VanDerWaalsContact O-N 3.11Å; S322-I347 WeakPolarHBondContact OG-CB 3.21Å; S322-E349 VanDerWaalsContact CB-OE1 3.26Å; S322-E349 WeakPolarHBondContact CB-OE1 3.49Å; S322-E349 PolarHBondContact OG-OE1 2.77Å |
| 323 | P | 90.8 | Very high | 84.1 | Confident | 20 Ų | 20 | 43.3 Ų | 43.3 | 13% | 0.13 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 152.8 | 180 | 31.9 | -35.4 | 0 | 0 | 0 | 111.8 | H67 F343 | H67-P323 PolarHBondContact CD2-O 2.96Å; H67-P323 PolarHBondContact NE2-O 3.45Å; P323-F343 CarbonylContact C-O 3.59Å; P323-F343 WeakPolarHBondContact CA-O 3.47Å; P323-F343 WeakPolarHBondContact CB-O 3.37Å |
| 324 | L | 88.5 | Confident | 84.4 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.5 | 173.8 | -177.7 | 67.6 | 0 | 0 | 0 | 110.7 | F277 P290 Y293 I326 F343 M346 I347 | F277-L324 HydrophobicContact CE2-CD2 4.16Å; F277-L324 HydrophobicContact CZ-CD2 4.33Å; P290-L324 HydrophobicContact CG-CD1 4.39Å; P290-L324 HydrophobicContact CG-CD2 4.3Å; Y293-L324 HydrophobicContact CD1-CD2 3.49Å; Y293-L324 VanDerWaalsContact CD1-CD2 3.49Å; Y293-L324 HydrophobicContact CD2-CD1 4.32Å; Y293-L324 HydrophobicContact CD2-CD2 3.79Å; Y293-L324 HydrophobicContact CE1-CD2 3.69Å; Y293-L324 HydrophobicContact CE2-CD2 3.95Å; Y293-L324 HydrophobicContact CG-CD1 4.28Å; Y293-L324 HydrophobicContact CG-CD2 3.54Å; L324-I326 HydrophobicContact CD2-CD1 4.01Å; L324-I326 HydrophobicContact CD2-CG1 3.93Å; L324-I326 HydrophobicContact CG-CD1 4.44Å; L324-I326 HydrophobicContact CG-CG1 3.93Å; L324-I326 PolarHBondContact O-N 3.07Å; L324-F343 PolarHBondContact N-O 3.22Å; L324-F343 PolarHBondContact O-N 3.09Å; L324-M346 HydrophobicContact CB-CB 3.56Å; L324-M346 HydrophobicContact CB-CG 3.93Å; L324-M346 HydrophobicContact CD2-CE 4.31Å; L324-I347 HydrophobicContact CD1-CD1 4.19Å |
| 325 | P | 89.4 | Confident | 84.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 126.3 | 166.4 | -19 | 32.6 | 0 | 0 | 0 | 110.5 | Y60 M63 L64 H67 A341 E342 | Y60-P325 HydrophobicContact CE2-CB 4.2Å; M63-P325 HydrophobicContact CB-CB 4.22Å; M63-P325 HydrophobicContact CB-CG 4.42Å; M63-P325 HydrophobicContact CE-CB 4.41Å; L64-P325 HydrophobicContact CD2-CB 4.35Å; L64-P325 HydrophobicContact CD2-CG 4.3Å; H67-P325 HydrophobicContact CB-CG 3.84Å; P325-A341 CarbonylContact C-O 3.44Å; P325-A341 WeakPolarHBondContact CA-O 3.31Å; P325-E342 HydrophobicContact CB-CG 4.36Å; P325-E342 HydrophobicContact CG-CG 4Å |
| 326 | I | 88.9 | Confident | 84.7 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137 | 178.4 | -55.9 | 179.9 | 0 | 0 | 0 | 109 | L30 F277 I287 E289 L324 Y328 V340 A341 F343 M346 | L30-I326 HydrophobicContact CD2-CD1 4.01Å; F277-I326 HydrophobicContact CE2-CD1 4.39Å; F277-I326 HydrophobicContact CZ-CD1 4.15Å; I287-I326 HydrophobicContact CD1-CG2 4.47Å; I287-I326 HydrophobicContact CG1-CG2 4.48Å; I287-I326 HydrophobicContact CG2-CG2 3.83Å; E289-I326 CarbonylContact O-C 3.57Å; E289-I326 WeakPolarHBondContact O-CA 3.4Å; E289-I326 WeakPolarHBondContact O-CG2 3.47Å; L324-I326 HydrophobicContact CD2-CD1 4.01Å; L324-I326 HydrophobicContact CD2-CG1 3.93Å; L324-I326 HydrophobicContact CG-CD1 4.44Å; L324-I326 HydrophobicContact CG-CG1 3.93Å; L324-I326 PolarHBondContact O-N 3.07Å; I326-Y328 HydrophobicContact CG2-CD1 4.38Å; I326-V340 WeakPolarHBondContact O-CA 3.24Å; I326-A341 PolarHBondContact N-O 3.03Å; I326-A341 PolarHBondContact O-N 3.31Å; I326-F343 HydrophobicContact CB-CD2 3.82Å; I326-F343 HydrophobicContact CB-CE2 3.72Å; I326-F343 HydrophobicContact CD1-CB 4.49Å; I326-F343 HydrophobicContact CD1-CD2 3.54Å; I326-F343 HydrophobicContact CD1-CE2 3.93Å; I326-F343 HydrophobicContact CD1-CG 4.12Å; I326-F343 HydrophobicContact CG1-CD2 3.72Å; I326-F343 HydrophobicContact CG1-CE2 4.11Å; I326-F343 HydrophobicContact CG2-CE2 4.42Å; I326-M346 HydrophobicContact CD1-CE 4.29Å |
| 327 | M | 83.3 | Confident | 85 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 5% | 0.049 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124 | 169.1 | -175.7 | 169.8 | 58.7 | 0 | 0 | 109 | V52 I56 Y60 I288 E289 I338 E339 V340 | V52-M327 HydrophobicContact CG1-CE 4.38Å; V52-M327 HydrophobicContact CG1-SD 3.8Å; V52-M327 HydrophobicContact CG2-CE 4.35Å; I56-M327 HydrophobicContact CG2-SD 3.98Å; Y60-M327 HydrophobicContact CD2-CB 4.22Å; Y60-M327 HydrophobicContact CE2-CB 4.47Å; I288-M327 WeakPolarHBondContact CA-O 3.37Å; I288-M327 HydrophobicContact CB-CE 4.05Å; I288-M327 HydrophobicContact CB-CG 4.32Å; I288-M327 HydrophobicContact CD1-CG 4.22Å; I288-M327 HydrophobicContact CG2-CE 3.66Å; I288-M327 PolarHBondContact N-O 2.8Å; E289-M327 HydrophobicContact CB-CB 4.11Å; E289-M327 HydrophobicContact CB-CE 3.83Å; E289-M327 HydrophobicContact CG-CE 3.43Å; E289-M327 VanDerWaalsContact CG-CE 3.43Å; E289-M327 PolarHBondContact N-O 2.78Å; E289-M327 VanDerWaalsContact N-O 3.1Å; E289-M327 PolarHBondContact O-N 2.96Å; M327-I338 HydrophobicContact CG-CG2 3.58Å; M327-I338 HydrophobicContact SD-CG2 3.98Å; M327-E339 CarbonylContact C-O 3.59Å; M327-E339 VanDerWaalsContact CA-O 3.32Å; M327-E339 WeakPolarHBondContact CA-O 3.32Å; M327-V340 HydrophobicContact CB-CG2 4.05Å; M327-V340 HydrophobicContact CG-CG2 3.84Å; M327-V340 HydrophobicContact SD-CG2 4.3Å |
| 328 | Y | 89.1 | Confident | 85.1 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 4% | 0.039 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 163.8 | -169.2 | 62.7 | -81.2 | 0 | 0 | 0 | 112.3 | L34 W286 I326 V330 I338 E339 A341 F343 | L34-Y328 HydrophobicContact CD1-CD2 4.17Å; L34-Y328 HydrophobicContact CD1-CE2 3.96Å; L34-Y328 HydrophobicContact CD2-CD2 4.41Å; L34-Y328 HydrophobicContact CD2-CE1 4.01Å; L34-Y328 HydrophobicContact CD2-CE2 3.48Å; L34-Y328 VanDerWaalsContact CD2-CE2 3.48Å; L34-Y328 VanDerWaalsContact CD2-OH 3.23Å; L34-Y328 WeakPolarHBondContact CD2-OH 3.36Å; L34-Y328 HydrophobicContact CG-CE2 4.35Å; W286-Y328 HydrophobicContact CE3-CD2 4.1Å; W286-Y328 HydrophobicContact CE3-CG 4.31Å; W286-Y328 AromaticContact CZ3-CD2 3.83Å; W286-Y328 HydrophobicContact CZ3-CD2 3.83Å; W286-Y328 HydrophobicContact CZ3-CG 4Å; W286-Y328 CarbonylContact O-C 3.54Å; W286-Y328 WeakPolarHBondContact O-CA 3.43Å; W286-Y328 WeakPolarHBondContact O-CB 3.43Å; I326-Y328 HydrophobicContact CG2-CD1 4.38Å; Y328-V330 HydrophobicContact CD2-CG2 3.59Å; Y328-V330 HydrophobicContact CE2-CG2 3.16Å; Y328-I338 WeakPolarHBondContact O-CA 3.37Å; Y328-E339 HydrophobicContact CE1-CB 4.08Å; Y328-E339 HydrophobicContact CE2-CB 4.08Å; Y328-E339 PolarHBondContact N-O 3.31Å; Y328-E339 PolarHBondContact O-N 2.96Å; Y328-E339 PolarHBondContact OH-OE2 2.84Å; Y328-A341 HydrophobicContact CE1-CB 3.82Å; Y328-F343 HydrophobicContact CD1-CE2 4.38Å; Y328-F343 HydrophobicContact CE1-CE2 4.27Å; Y328-F343 HydrophobicContact CE1-CZ 4.35Å |
| 329 | L | 87.4 | Confident | 85.3 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 132.3 | 176.8 | -68.7 | 170.4 | 0 | 0 | 0 | 110.6 | I42 L50 W286 I288 E337 I338 | I42-L329 HydrophobicContact CD1-CB 4.39Å; I42-L329 HydrophobicContact CG1-CB 4.24Å; I42-L329 HydrophobicContact CG2-CD1 3.88Å; L50-L329 HydrophobicContact CD1-CD2 3.85Å; L50-L329 HydrophobicContact CD2-CD1 4.25Å; L50-L329 HydrophobicContact CD2-CD2 4.1Å; W286-L329 HydrophobicContact CB-CB 4.32Å; W286-L329 PolarHBondContact O-N 3.01Å; I288-L329 HydrophobicContact CD1-CD2 3.97Å; I288-L329 HydrophobicContact CD1-CG 3.92Å; I288-L329 HydrophobicContact CG1-CG 4.13Å; L329-E337 WeakPolarHBondContact CA-O 3.25Å; L329-I338 HydrophobicContact CD2-CG1 3.73Å |
| 330 | V | 87.1 | Confident | 85.5 | Confident | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140.2 | 171.3 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | Y328 K332 T336 E337 E339 | Y328-V330 HydrophobicContact CD2-CG2 3.59Å; Y328-V330 HydrophobicContact CE2-CG2 3.16Å; V330-K332 HydrophobicContact CG1-CG 4.35Å; V330-T336 WeakPolarHBondContact O-CA 3.5Å; V330-E337 PolarHBondContact N-O 2.76Å; V330-E337 PolarHBondContact O-N 2.79Å; V330-E339 HydrophobicContact CG2-CB 4.44Å; V330-E339 HydrophobicContact CG2-CG 4.29Å |
| 331 | K | 82.1 | Confident | 85.9 | Confident | 124 Ų | 124 | 42.8 Ų | 42.8 | 54% | 0.539 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 115.2 | 172.1 | -167 | 175.6 | -178.8 | 179.4 | 0 | 109.2 | G333 | K331-G333 WeakPolarHBondContact CE-O 3.26Å; K331-G333 WeakPolarHBondContact CG-O 2.98Å |
| 332 | K | 81.8 | Confident | 86 | Confident | 75 Ų | 75 | 44 Ų | 44 | 33% | 0.326 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 94.9 | 173.5 | -73.7 | -174.6 | -172.3 | 158.9 | 0 | 108.5 | V330 D334 Y335 E337 E339 | V330-K332 HydrophobicContact CG1-CG 4.35Å; K332-D334 PolarHBondContact O-N 3.02Å; K332-Y335 HydrophobicContact CB-CD2 4.37Å; K332-Y335 HydrophobicContact CB-CE1 4.3Å; K332-Y335 HydrophobicContact CB-CE2 3.72Å; K332-Y335 HydrophobicContact CD-CE2 4.43Å; K332-Y335 PolarHBondContact N-O 2.83Å; K332-Y335 WeakPolarHBondContact O-CD1 3.48Å; K332-Y335 WeakPolarHBondContact O-CE1 3.34Å; K332-Y335 PolarHBondContact O-N 2.84Å; K332-E337 VanDerWaalsContact CD-OE2 3.3Å; K332-E337 WeakPolarHBondContact CD-OE2 3.42Å; K332-E337 WeakPolarHBondContact CE-OE2 3.47Å; K332-E337 IonicContact NZ-OE2 3.48Å; K332-E337 PolarHBondContact NZ-OE2 3.04Å; K332-E339 WeakPolarHBondContact CE-OE1 3.3Å; K332-E339 IonicContact NZ-OE1 3.72Å; K332-E339 PolarHBondContact NZ-OE1 2.9Å |
| 333 | G | 78.9 | Confident | 86.1 | Confident | 58 Ų | 58 | 44.1 Ų | 44.1 | 60% | 0.598 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | -116.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | K331 | K331-G333 WeakPolarHBondContact CE-O 3.26Å; K331-G333 WeakPolarHBondContact CG-O 2.98Å |
| 334 | D | 77.1 | Confident | 85.9 | Confident | 165 Ų | 165 | 46.2 Ų | 46.2 | 88% | 0.882 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | -9.6 | -175.3 | -65.5 | -30.6 | 0 | 0 | 0 | 114.4 | K332 | K332-D334 PolarHBondContact O-N 3.02Š|
| 335 | Y | 76.7 | Confident | 85.8 | Confident | 141 Ų | 141 | 51.1 Ų | 51.1 | 55% | 0.553 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 152.5 | 179.2 | 63.7 | -89.1 | 0 | 0 | 0 | 112.1 | K332 E337 | K332-Y335 HydrophobicContact CB-CD2 4.37Å; K332-Y335 HydrophobicContact CB-CE1 4.3Å; K332-Y335 HydrophobicContact CB-CE2 3.72Å; K332-Y335 HydrophobicContact CD-CE2 4.43Å; K332-Y335 PolarHBondContact N-O 2.83Å; K332-Y335 WeakPolarHBondContact O-CD1 3.48Å; K332-Y335 WeakPolarHBondContact O-CE1 3.34Å; K332-Y335 PolarHBondContact O-N 2.84Å; Y335-E337 HydrophobicContact CE2-CB 4.44Å |
| 336 | T | 82.7 | Confident | 85.7 | Confident | 63 Ų | 63 | 51.6 Ų | 51.6 | 39% | 0.387 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129.6 | 173.1 | 49.3 | 0 | 0 | 0 | 0 | 109.3 | I42 V330 | I42-T336 HydrophobicContact CD1-CG2 3.83Å; V330-T336 WeakPolarHBondContact O-CA 3.5Å |
| 337 | E | 87.1 | Confident | 85.6 | Confident | 73 Ų | 73 | 51.6 Ų | 51.6 | 34% | 0.341 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 145 | 177 | -170.4 | 173.7 | -175.7 | 0 | 0 | 109.8 | L329 V330 K332 Y335 | L329-E337 WeakPolarHBondContact CA-O 3.25Å; V330-E337 PolarHBondContact N-O 2.76Å; V330-E337 PolarHBondContact O-N 2.79Å; K332-E337 VanDerWaalsContact CD-OE2 3.3Å; K332-E337 WeakPolarHBondContact CD-OE2 3.42Å; K332-E337 WeakPolarHBondContact CE-OE2 3.47Å; K332-E337 IonicContact NZ-OE2 3.48Å; K332-E337 PolarHBondContact NZ-OE2 3.04Å; Y335-E337 HydrophobicContact CE2-CB 4.44Å |
| 338 | I | 88.2 | Confident | 85.8 | Confident | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.062 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.1 | 175 | -53.9 | 172.4 | 0 | 0 | 0 | 108.9 | L50 V52 I56 I288 M327 Y328 L329 | L50-I338 HydrophobicContact CD1-CD1 3.73Å; L50-I338 HydrophobicContact CD1-CG1 4.03Å; L50-I338 HydrophobicContact CD2-CD1 4.31Å; L50-I338 HydrophobicContact CG-CD1 4.04Å; V52-I338 HydrophobicContact CB-CD1 4.21Å; V52-I338 HydrophobicContact CG1-CD1 4.39Å; V52-I338 HydrophobicContact CG2-CD1 3.93Å; I56-I338 HydrophobicContact CG2-CB 4.42Å; I56-I338 HydrophobicContact CG2-CG2 3.82Å; I288-I338 HydrophobicContact CD1-CB 4.37Å; I288-I338 HydrophobicContact CD1-CD1 4.15Å; I288-I338 HydrophobicContact CD1-CG1 3.96Å; I288-I338 HydrophobicContact CD1-CG2 3.57Å; M327-I338 HydrophobicContact CG-CG2 3.58Å; M327-I338 HydrophobicContact SD-CG2 3.98Å; Y328-I338 WeakPolarHBondContact O-CA 3.37Å; L329-I338 HydrophobicContact CD2-CG1 3.73Å |
| 339 | E | 90.4 | Very high | 85.6 | Confident | 55 Ų | 55 | 53.1 Ų | 53.1 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 162.6 | 176.9 | -67.1 | -168.7 | 174.5 | 0 | 0 | 111.6 | M327 Y328 V330 K332 | M327-E339 CarbonylContact C-O 3.59Å; M327-E339 VanDerWaalsContact CA-O 3.32Å; M327-E339 WeakPolarHBondContact CA-O 3.32Å; Y328-E339 HydrophobicContact CE1-CB 4.08Å; Y328-E339 HydrophobicContact CE2-CB 4.08Å; Y328-E339 PolarHBondContact N-O 3.31Å; Y328-E339 PolarHBondContact O-N 2.96Å; Y328-E339 PolarHBondContact OH-OE2 2.84Å; V330-E339 HydrophobicContact CG2-CB 4.44Å; V330-E339 HydrophobicContact CG2-CG 4.29Å; K332-E339 WeakPolarHBondContact CE-OE1 3.3Å; K332-E339 IonicContact NZ-OE1 3.72Å; K332-E339 PolarHBondContact NZ-OE1 2.9Å |
| 340 | V | 89.2 | Confident | 85.3 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 5% | 0.048 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 126.9 | 177.9 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | I56 K59 Y60 M63 I326 M327 | I56-V340 HydrophobicContact CG2-CG2 3.63Å; K59-V340 HydrophobicContact CD-CB 4.38Å; K59-V340 PolarHBondContact NZ-O 3.05Å; Y60-V340 HydrophobicContact CD2-CG1 3.81Å; Y60-V340 HydrophobicContact CG-CG1 4.45Å; M63-V340 HydrophobicContact CE-CG1 4.09Å; M63-V340 HydrophobicContact SD-CB 4.39Å; M63-V340 HydrophobicContact SD-CG1 3.53Å; M63-V340 VanDerWaalsContact SD-CG1 3.53Å; I326-V340 WeakPolarHBondContact O-CA 3.24Å; M327-V340 HydrophobicContact CB-CG2 4.05Å; M327-V340 HydrophobicContact CG-CG2 3.84Å; M327-V340 HydrophobicContact SD-CG2 4.3Å |
| 341 | A | 91.1 | Very high | 85 | Confident | 25 Ų | 25 | 56.4 Ų | 56.4 | 21% | 0.207 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 158.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P325 I326 Y328 F343 | P325-A341 CarbonylContact C-O 3.44Å; P325-A341 WeakPolarHBondContact CA-O 3.31Å; I326-A341 PolarHBondContact N-O 3.03Å; I326-A341 PolarHBondContact O-N 3.31Å; Y328-A341 HydrophobicContact CE1-CB 3.82Å; A341-F343 HydrophobicContact CB-CE2 3.94Å; A341-F343 HydrophobicContact CB-CZ 4.4Å |
| 342 | E | 89.6 | Confident | 84.9 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.4 | 171.3 | -100.7 | 174 | -164.2 | 0 | 0 | 109.2 | M63 R70 P325 | M63-E342 HydrophobicContact CE-CB 4.02Å; M63-E342 HydrophobicContact CE-CG 3.57Å; R70-E342 IonicContact NH1-OE1 2.7Å; R70-E342 PolarHBondContact NH1-OE1 2.75Å; R70-E342 IonicContact NH1-OE2 3.9Å; R70-E342 PolarHBondContact NH1-OE2 3.41Å; P325-E342 HydrophobicContact CB-CG 4.36Å; P325-E342 HydrophobicContact CG-CG 4Å |
| 343 | F | 87.7 | Confident | 84.6 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 117.2 | -180 | -71.1 | -88.7 | 0 | 0 | 0 | 110.2 | L30 K33 L34 P323 L324 I326 Y328 A341 M346 | L30-F343 HydrophobicContact CD2-CB 4.38Å; L30-F343 HydrophobicContact CD2-CD1 3.33Å; L30-F343 HydrophobicContact CD2-CD2 4.21Å; L30-F343 HydrophobicContact CD2-CE1 3.36Å; L30-F343 HydrophobicContact CD2-CE2 4.28Å; L30-F343 HydrophobicContact CD2-CG 3.71Å; L30-F343 HydrophobicContact CD2-CZ 3.83Å; L30-F343 HydrophobicContact CG-CD1 4.46Å; L30-F343 HydrophobicContact CG-CE1 4.46Å; K33-F343 HydrophobicContact CB-CD1 3.97Å; K33-F343 HydrophobicContact CB-CE1 3.94Å; K33-F343 HydrophobicContact CG-CD1 3.71Å; K33-F343 HydrophobicContact CG-CE1 3.86Å; L34-F343 HydrophobicContact CD1-CE1 4.35Å; L34-F343 HydrophobicContact CD1-CZ 4.03Å; L34-F343 HydrophobicContact CD2-CE1 4.02Å; L34-F343 HydrophobicContact CD2-CZ 3.6Å; L34-F343 HydrophobicContact CG-CE1 3.87Å; L34-F343 HydrophobicContact CG-CZ 3.8Å; P323-F343 CarbonylContact C-O 3.59Å; P323-F343 WeakPolarHBondContact CA-O 3.47Å; P323-F343 WeakPolarHBondContact CB-O 3.37Å; L324-F343 PolarHBondContact N-O 3.22Å; L324-F343 PolarHBondContact O-N 3.09Å; I326-F343 HydrophobicContact CB-CD2 3.82Å; I326-F343 HydrophobicContact CB-CE2 3.72Å; I326-F343 HydrophobicContact CD1-CB 4.49Å; I326-F343 HydrophobicContact CD1-CD2 3.54Å; I326-F343 HydrophobicContact CD1-CE2 3.93Å; I326-F343 HydrophobicContact CD1-CG 4.12Å; I326-F343 HydrophobicContact CG1-CD2 3.72Å; I326-F343 HydrophobicContact CG1-CE2 4.11Å; I326-F343 HydrophobicContact CG2-CE2 4.42Å; Y328-F343 HydrophobicContact CD1-CE2 4.38Å; Y328-F343 HydrophobicContact CE1-CE2 4.27Å; Y328-F343 HydrophobicContact CE1-CZ 4.35Å; A341-F343 HydrophobicContact CB-CE2 3.94Å; A341-F343 HydrophobicContact CB-CZ 4.4Å; F343-M346 HydrophobicContact CB-CG 3.61Å; F343-M346 HydrophobicContact CB-SD 4.31Å; F343-M346 VanDerWaalsContact O-CG 3.25Å; F343-M346 WeakPolarHBondContact O-CG 3.44Å |
| 344 | P | 88.4 | Confident | 84.4 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 42% | 0.422 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 159.6 | -177.6 | 30.7 | -35.4 | 0 | 0 | 0 | 111.9 | M346 | P344-M346 PolarHBondContact O-N 3.27Å; P344-M346 VanDerWaalsContact O-N 3.12Å |
| 345 | N | 86.5 | Confident | 84.1 | Confident | 114 Ų | 114 | 45 Ų | 45 | 61% | 0.61 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 57.4 | 26.7 | 171.3 | -49.9 | -20.7 | 0 | 0 | 0 | 115.3 | S321 | S321-N345 WeakPolarHBondContact OG-CA 3.38Å; S321-N345 PolarHBondContact OG-OD1 3Å |
| 346 | M | 86.7 | Confident | 83.1 | Confident | 10 Ų | 10 | 42.1 Ų | 42.1 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -27.9 | -176.3 | -72.2 | -63.3 | -76.3 | 0 | 0 | 113 | M26 L30 F277 Y293 S322 L324 I326 F343 P344 | M26-M346 HydrophobicContact CG-CE 4.24Å; M26-M346 HydrophobicContact SD-CE 4.42Å; L30-M346 HydrophobicContact CD1-CE 4.45Å; L30-M346 HydrophobicContact CD2-CE 4.27Å; F277-M346 HydrophobicContact CZ-CE 4.3Å; Y293-M346 HydrophobicContact CE1-CE 4.19Å; Y293-M346 HydrophobicContact CE2-CB 4.41Å; Y293-M346 VanDerWaalsContact CE2-O 3.23Å; Y293-M346 WeakPolarHBondContact CE2-O 3.4Å; Y293-M346 VanDerWaalsContact OH-CE 3.29Å; Y293-M346 WeakPolarHBondContact OH-CE 3.41Å; Y293-M346 PolarHBondContact OH-O 3.32Å; Y293-M346 VanDerWaalsContact OH-O 3.12Å; S322-M346 PolarHBondContact O-N 3.37Å; S322-M346 VanDerWaalsContact O-N 3.16Å; L324-M346 HydrophobicContact CB-CB 3.56Å; L324-M346 HydrophobicContact CB-CG 3.93Å; L324-M346 HydrophobicContact CD2-CE 4.31Å; I326-M346 HydrophobicContact CD1-CE 4.29Å; F343-M346 HydrophobicContact CB-CG 3.61Å; F343-M346 HydrophobicContact CB-SD 4.31Å; F343-M346 VanDerWaalsContact O-CG 3.25Å; F343-M346 WeakPolarHBondContact O-CG 3.44Å; P344-M346 PolarHBondContact O-N 3.27Å; P344-M346 VanDerWaalsContact O-N 3.12Å |
| 347 | I | 86.2 | Confident | 81.6 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 125 | -177.9 | -41.2 | 169.1 | 0 | 0 | 0 | 110.1 | Y293 Q294 F296 S321 S322 L324 E349 | Y293-I347 HydrophobicContact CD2-CD1 4.47Å; Y293-I347 HydrophobicContact CD2-CG1 3.93Å; Y293-I347 HydrophobicContact CE2-CG1 3.89Å; Q294-I347 WeakPolarHBondContact O-CG2 3.28Å; F296-I347 HydrophobicContact CD2-CG2 3.91Å; F296-I347 HydrophobicContact CE2-CG2 4.32Å; S321-I347 CarbonylContact C-O 3.57Å; S321-I347 WeakPolarHBondContact CA-O 3.07Å; S321-I347 VanDerWaalsContact CB-O 3.31Å; S321-I347 WeakPolarHBondContact CB-O 3.35Å; S322-I347 PolarHBondContact N-O 2.8Å; S322-I347 PolarHBondContact O-N 2.64Å; S322-I347 VanDerWaalsContact O-N 3.11Å; S322-I347 WeakPolarHBondContact OG-CB 3.21Å; L324-I347 HydrophobicContact CD1-CD1 4.19Å; I347-E349 PolarHBondContact O-N 2.89Å |
| 348 | V | 87.9 | Confident | 79.7 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 11% | 0.109 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 120 | 176.4 | 177.2 | 0 | 0 | 0 | 0 | 109.1 | R270 A295 F296 V318 | R270-V348 WeakPolarHBondContact CD-O 3.47Å; R270-V348 HydrophobicContact CG-CG1 4.26Å; A295-V348 PolarHBondContact O-N 3.2Å; F296-V348 HydrophobicContact CB-CB 4.11Å; V318-V348 HydrophobicContact CG1-CG1 4.19Å; V318-V348 HydrophobicContact CG1-CG2 4.28Å; V318-V348 HydrophobicContact CG2-CG1 4.16Å; V318-V348 HydrophobicContact CG2-CG2 3.72Å |
| 349 | E | 83.9 | Confident | 77.2 | Confident | 34 Ų | 34 | 52.1 Ų | 52.1 | 16% | 0.159 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -40.5 | 175.2 | -64.1 | -59.9 | 161.4 | 0 | 0 | 111.2 | R71 R270 E320 S322 I347 | R71-E349 IonicContact CZ-OE1 2.99Å; R71-E349 IonicContact NE-OE1 3.32Å; R71-E349 PolarHBondContact NE-OE1 2.79Å; R71-E349 IonicContact NH2-OE1 2.91Å; R71-E349 PolarHBondContact NH2-OE1 3.43Å; R71-E349 IonicContact NH2-OE2 3.45Å; R270-E349 PolarHBondContact NH1-O 2.82Å; R270-E349 IonicContact NH1-OE2 3.06Å; E320-E349 HydrophobicContact CB-CB 4.14Å; E320-E349 HydrophobicContact CG-CB 4.05Å; E320-E349 PolarHBondContact O-N 2.74Å; S322-E349 VanDerWaalsContact CB-OE1 3.26Å; S322-E349 WeakPolarHBondContact CB-OE1 3.49Å; S322-E349 PolarHBondContact OG-OE1 2.77Å; I347-E349 PolarHBondContact O-N 2.89Å |
| 350 | R | 80.9 | Confident | 74.8 | Confident | 70 Ų | 70 | 54.5 Ų | 54.5 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 149.3 | -179.4 | -65.6 | -173.7 | 174.2 | 133.4 | -6.7 | 112.3 | S319 E320 | S319-R350 PolarHBondContact N-O 2.86Å; S319-R350 VanDerWaalsContact OG-C 3.29Å; S319-R350 WeakPolarHBondContact OG-CB 3.5Å; S319-R350 PolarHBondContact OG-O 2.91Å; E320-R350 HydrophobicContact CB-CB 3.94Å; E320-R350 HydrophobicContact CB-CG 4.28Å; E320-R350 PolarHBondContact N-O 2.63Å; E320-R350 PolarHBondContact O-N 2.83Å; E320-R350 VanDerWaalsContact O-N 3.14Å; E320-R350 WeakPolarHBondContact OE2-CD 3.45Å; E320-R350 IonicContact OE2-CZ 3.06Å; E320-R350 IonicContact OE2-NE 2.81Å; E320-R350 IonicContact OE2-NH1 2.77Å; E320-R350 PolarHBondContact OE2-NH1 3.46Å |
| 351 | C | 82 | Confident | 72 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 10% | 0.101 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 142.9 | 173.4 | -60.5 | 0 | 0 | 0 | 0 | 109.4 | C298 V317 | C298-C351 WeakPolarHBondContact CA-SG 3.41Å; C298-C351 HydrophobicContact CB-CB 3.74Å; C298-C351 WeakPolarHBondContact CB-SG 3.27Å; C298-C351 WeakPolarHBondContact SG-CA 3.5Å; C298-C351 WeakPolarHBondContact SG-CB 3.31Å; C298-C351 CovalentContact SG-SG 2.03Å; C298-C351 PolarHBondContact SG-SG 2.56Å; V317-C351 WeakPolarHBondContact O-CA 3.28Å |
| 352 | A | 79.3 | Confident | 71.1 | Confident | 33 Ų | 33 | 65.5 Ų | 65.5 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 156.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V317 M354 | V317-A352 WeakPolarHBondContact CG2-O 3.17Å; V317-A352 PolarHBondContact N-O 2.87Å; V317-A352 PolarHBondContact O-N 3.01Å; A352-M354 HydrophobicContact CB-CG 4.38Å; A352-M354 PolarHBondContact O-N 2.89Å |
| 353 | C | 77.1 | Confident | 70.1 | Confident | 33 Ų | 33 | 66.2 Ų | 66.2 | 22% | 0.223 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 103.3 | 172.6 | -72 | 0 | 0 | 0 | 0 | 110.6 | C268 C302 R314 R315 | C268-C353 VanDerWaalsContact CB-SG 3.52Å; C302-C353 VanDerWaalsContact CA-SG 3.58Å; C302-C353 HydrophobicContact CB-CB 3.78Å; C302-C353 WeakPolarHBondContact CB-SG 3.16Å; C302-C353 WeakPolarHBondContact SG-CA 3.47Å; C302-C353 WeakPolarHBondContact SG-CB 3.06Å; C302-C353 CovalentContact SG-SG 2.03Å; C302-C353 PolarHBondContact SG-SG 2.85Å; R314-C353 PolarHBondContact NE-O 2.82Å; R314-C353 PolarHBondContact NH2-O 2.96Å; R315-C353 WeakPolarHBondContact O-CA 3.47Å |
| 354 | M | 73.9 | Confident | 69.1 | Low | 51 Ų | 51 | 69.6 Ų | 69.6 | 25% | 0.251 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 159.9 | 177.9 | -55.4 | -159.6 | -72.1 | 0 | 0 | 111.4 | R314 R315 V317 A352 V360 | R314-M354 CarbonylContact C-O 3.58Å; R314-M354 VanDerWaalsContact CA-O 3.31Å; R314-M354 WeakPolarHBondContact CA-O 3.46Å; R315-M354 PolarHBondContact N-O 2.87Å; R315-M354 PolarHBondContact O-N 2.91Å; V317-M354 HydrophobicContact CB-CE 4.47Å; V317-M354 HydrophobicContact CG2-CB 3.65Å; V317-M354 HydrophobicContact CG2-CE 3.34Å; V317-M354 HydrophobicContact CG2-CG 3.74Å; V317-M354 HydrophobicContact CG2-SD 4.38Å; A352-M354 HydrophobicContact CB-CG 4.38Å; A352-M354 PolarHBondContact O-N 2.89Å; M354-V360 HydrophobicContact CE-CG2 3.68Å; M354-V360 HydrophobicContact SD-CG2 4.48Å |
| 355 | L | 70.9 | Confident | 68 | Low | 65 Ų | 65 | 69.9 Ų | 69.9 | 34% | 0.34 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 142.8 | 173.2 | -67.3 | 166.1 | 0 | 0 | 0 | 109.1 | R314 N357 V358 | R314-L355 HydrophobicContact CG-CD2 3.64Å; R314-L355 HydrophobicContact CG-CG 4.23Å; L355-N357 PolarHBondContact O-N 3.44Å; L355-V358 PolarHBondContact O-N 2.89Å |
| 356 | D | 55.3 | Low | 66.8 | Low | 80 Ų | 80 | 67.1 Ų | 67.1 | 43% | 0.428 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -12.5 | -176.1 | -75.6 | -40.8 | 0 | 0 | 0 | 115.3 | R315 | R315-D356 VanDerWaalsContact CD-OD1 3.3Å; R315-D356 WeakPolarHBondContact CD-OD1 3.4Å; R315-D356 IonicContact CZ-OD1 3.96Å; R315-D356 IonicContact CZ-OD2 3.16Å; R315-D356 IonicContact NE-OD1 3.74Å; R315-D356 IonicContact NE-OD2 2.74Å; R315-D356 PolarHBondContact NE-OD2 3.46Å; R315-D356 IonicContact NH1-OD1 3.85Å; R315-D356 PolarHBondContact NH1-OD1 2.92Å; R315-D356 IonicContact NH1-OD2 3.86Å; R315-D356 PolarHBondContact NH1-OD2 2.74Å; R315-D356 IonicContact NH2-OD2 2.73Å; R315-D356 PolarHBondContact NH2-OD2 3.03Å |
| 357 | N | 51.7 | Low | 65.5 | Low | 158 Ų | 158 | 70.9 Ų | 70.9 | 85% | 0.845 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 11.1 | -173 | -120 | 18.3 | 0 | 0 | 0 | 115.6 | L355 | L355-N357 PolarHBondContact O-N 3.44Š|
| 358 | V | 47.3 | Very low | 64 | Low | 97 Ų | 97 | 75.8 Ų | 75.8 | 59% | 0.588 | 44% | 0.439 | S | S | * | . | trans | -108.1 | 86.9 | 171.2 | -171 | 0 | 0 | 0 | 0 | 107.9 | L355 V360 | L355-V358 PolarHBondContact O-N 2.89Å; V358-V360 PolarHBondContact O-N 3.41Å | ||
| 359 | S | 35.6 | Very low | 62.2 | Low | 103 Ų | 103 | 80.2 Ų | 80.2 | 72% | 0.72 | 46% | 0.464 | S | S | * | . | trans | -61 | 116.4 | 166.8 | 39.9 | 0 | 0 | 0 | 0 | 108.7 | V361 | S359-V361 PolarHBondContact O-N 3Š| ||
| 360 | V | 38.8 | Very low | 60.4 | Low | 105 Ų | 105 | 84.1 Ų | 84.1 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | trans | -68.5 | 110.2 | 167.2 | -178.5 | 0 | 0 | 0 | 0 | 106.7 | M354 V358 | M354-V360 HydrophobicContact CE-CG2 3.68Å; M354-V360 HydrophobicContact SD-CG2 4.48Å; V358-V360 PolarHBondContact O-N 3.41Å | ||
| 361 | V | 31.7 | Very low | 58.5 | Low | 199 Ų | 199 | 85.4 Ų | 85.4 | 100% | 1.206 | 51% | 0.51 | S | S | * | . | trans | -82.5 | 0 | 168.6 | 176.6 | 0 | 0 | 0 | 0 | 109.4 | S359 | S359-V361 PolarHBondContact O-N 3Š|
Retrieved 361 of 361 residues in 323.9 ms
(Link to these results)