| 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 | 58.1 | Low | 70 | Confident | 200 Ų | 200 | 127.6 Ų | 127.6 | 99% | 0.985 | 63% | 0.627 | S | S | * | * | 0 | -53.5 | 0 | -76.2 | 179.6 | 173.1 | 0 | 0 | 112.8 | T3 K4 L5 | M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 2.97Å; M1-K4 PolarHBondContact O-N 3.48Å; M1-L5 PolarHBondContact O-N 3.09Å | |||
| 2 | W | 61.5 | Low | 69.2 | Low | 212 Ų | 212 | 126.7 Ų | 126.7 | 80% | 0.803 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -40.1 | -44.4 | -178 | -67.6 | 89.6 | 0 | 0 | 0 | 116.7 | K4 L5 I6 | W2-K4 VanDerWaalsContact C-N 3.35Å; W2-K4 PolarHBondContact O-N 3.15Å; W2-L5 WeakPolarHBondContact O-CB 3.14Å; W2-L5 PolarHBondContact O-N 2.92Å; W2-L5 VanDerWaalsContact O-N 3.11Å; W2-I6 WeakPolarHBondContact O-CG1 3.31Å; W2-I6 PolarHBondContact O-N 2.82Å |
| 3 | T | 71.8 | Confident | 68.2 | Low | 97 Ų | 97 | 126.4 Ų | 126.4 | 60% | 0.595 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -57.9 | -41.3 | 176.3 | 48.1 | 0 | 0 | 0 | 0 | 113.5 | M1 I6 F7 | M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 2.97Å; T3-I6 PolarHBondContact O-N 3.42Å; T3-F7 VanDerWaalsContact O-CD2 3.24Å; T3-F7 WeakPolarHBondContact O-CD2 3.24Å; T3-F7 PolarHBondContact O-N 2.8Å |
| 4 | K | 74.4 | Confident | 67 | Low | 166 Ų | 166 | 131.9 Ų | 131.9 | 72% | 0.722 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.3 | -35.8 | 175.4 | -69 | -165.7 | 175.7 | -171.9 | 0 | 112 | M1 W2 F7 V8 | M1-K4 PolarHBondContact O-N 3.48Å; W2-K4 VanDerWaalsContact C-N 3.35Å; W2-K4 PolarHBondContact O-N 3.15Å; K4-F7 PolarHBondContact O-N 3.28Å; K4-V8 WeakPolarHBondContact O-CB 3.4Å; K4-V8 VanDerWaalsContact O-CG2 3.31Å; K4-V8 WeakPolarHBondContact O-CG2 3.47Å; K4-V8 PolarHBondContact O-N 2.94Å |
| 5 | L | 73.1 | Confident | 66.1 | Low | 116 Ų | 116 | 130.1 Ų | 130.1 | 61% | 0.607 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.4 | -39.7 | 173 | -75.2 | 168.5 | 0 | 0 | 0 | 111.7 | M1 W2 V8 A9 | M1-L5 PolarHBondContact O-N 3.09Å; W2-L5 WeakPolarHBondContact O-CB 3.14Å; W2-L5 PolarHBondContact O-N 2.92Å; W2-L5 VanDerWaalsContact O-N 3.11Å; L5-V8 PolarHBondContact O-N 3.15Å; L5-A9 WeakPolarHBondContact O-CB 3.28Å; L5-A9 PolarHBondContact O-N 2.92Å |
| 6 | I | 78.9 | Confident | 65.2 | Low | 97 Ų | 97 | 126.5 Ų | 126.5 | 50% | 0.497 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -64.2 | -44.4 | 174.5 | -67.4 | 164.3 | 0 | 0 | 0 | 110.8 | W2 T3 A9 L10 | W2-I6 WeakPolarHBondContact O-CG1 3.31Å; W2-I6 PolarHBondContact O-N 2.82Å; T3-I6 PolarHBondContact O-N 3.42Å; I6-A9 PolarHBondContact O-N 3.45Å; I6-L10 HydrophobicContact CG2-CD1 3.85Å; I6-L10 HydrophobicContact CG2-CG 4.41Å; I6-L10 WeakPolarHBondContact O-CB 3.28Å; I6-L10 VanDerWaalsContact O-CG 3.25Å; I6-L10 WeakPolarHBondContact O-CG 3.46Å; I6-L10 PolarHBondContact O-N 3.02Å |
| 7 | F | 73.4 | Confident | 64.6 | Low | 140 Ų | 140 | 125.8 Ų | 125.8 | 61% | 0.614 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -64.6 | -40.6 | 175.8 | -83.4 | -68 | 0 | 0 | 0 | 113.1 | T3 K4 L10 F11 | T3-F7 VanDerWaalsContact O-CD2 3.24Å; T3-F7 WeakPolarHBondContact O-CD2 3.24Å; T3-F7 PolarHBondContact O-N 2.8Å; K4-F7 PolarHBondContact O-N 3.28Å; F7-L10 PolarHBondContact O-N 3.42Å; F7-F11 WeakPolarHBondContact O-CB 3.49Å; F7-F11 PolarHBondContact O-N 2.94Å |
| 8 | V | 75.5 | Confident | 64.2 | Low | 82 Ų | 82 | 122.6 Ų | 122.6 | 50% | 0.497 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66 | -43.8 | 174.6 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | K4 L5 L10 F11 L12 | K4-V8 WeakPolarHBondContact O-CB 3.4Å; K4-V8 VanDerWaalsContact O-CG2 3.31Å; K4-V8 WeakPolarHBondContact O-CG2 3.47Å; K4-V8 PolarHBondContact O-N 2.94Å; L5-V8 PolarHBondContact O-N 3.15Å; V8-L10 PolarHBondContact O-N 3.34Å; V8-F11 WeakPolarHBondContact O-CB 3.32Å; V8-F11 PolarHBondContact O-N 2.83Å; V8-L12 HydrophobicContact CG1-CD1 3.88Å; V8-L12 HydrophobicContact CG1-CG 4.4Å; V8-L12 WeakPolarHBondContact O-CG 3.31Å; V8-L12 PolarHBondContact O-N 3.47Å |
| 9 | A | 72.1 | Confident | 64.6 | Low | 56 Ų | 56 | 121.3 Ų | 121.3 | 46% | 0.463 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -60.2 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L5 I6 F11 L12 L13 | L5-A9 WeakPolarHBondContact O-CB 3.28Å; L5-A9 PolarHBondContact O-N 2.92Å; I6-A9 PolarHBondContact O-N 3.45Å; A9-F11 PolarHBondContact O-N 2.94Å; A9-L12 PolarHBondContact O-N 2.94Å; A9-L13 VanDerWaalsContact O-CB 3.25Å; A9-L13 WeakPolarHBondContact O-CB 3.46Å; A9-L13 PolarHBondContact O-N 3.43Å |
| 10 | L | 68.4 | Low | 65.4 | Low | 87 Ų | 87 | 118.6 Ų | 118.6 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.2 | -33 | 175.5 | -72.6 | 169.4 | 0 | 0 | 0 | 113.1 | I6 F7 V8 R14 | I6-L10 HydrophobicContact CG2-CD1 3.85Å; I6-L10 HydrophobicContact CG2-CG 4.41Å; I6-L10 WeakPolarHBondContact O-CB 3.28Å; I6-L10 VanDerWaalsContact O-CG 3.25Å; I6-L10 WeakPolarHBondContact O-CG 3.46Å; I6-L10 PolarHBondContact O-N 3.02Å; F7-L10 PolarHBondContact O-N 3.42Å; V8-L10 PolarHBondContact O-N 3.34Å; L10-R14 WeakPolarHBondContact O-CG 3.27Å; L10-R14 PolarHBondContact O-N 3.11Å; L10-R14 VanDerWaalsContact O-N 3.07Å |
| 11 | F | 62.9 | Low | 66.5 | Low | 151 Ų | 151 | 113.6 Ų | 113.6 | 66% | 0.662 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66 | -49.3 | 171.7 | -111.7 | -92.9 | 0 | 0 | 0 | 111.5 | F7 V8 A9 L13 R14 C15 | F7-F11 WeakPolarHBondContact O-CB 3.49Å; F7-F11 PolarHBondContact O-N 2.94Å; V8-F11 WeakPolarHBondContact O-CB 3.32Å; V8-F11 PolarHBondContact O-N 2.83Å; A9-F11 PolarHBondContact O-N 2.94Å; F11-L13 VanDerWaalsContact C-N 3.3Å; F11-L13 PolarHBondContact O-N 2.92Å; F11-R14 WeakPolarHBondContact O-CB 3.41Å; F11-R14 PolarHBondContact O-N 3.28Å; F11-R14 VanDerWaalsContact O-N 3.13Å; F11-C15 PolarHBondContact O-N 3.42Å; F11-C15 VanDerWaalsContact O-N 3.13Å; F11-C15 PolarHBondContact O-SG 2.89Å |
| 12 | L | 60.3 | Low | 68.1 | Low | 116 Ų | 116 | 106.2 Ų | 106.2 | 61% | 0.607 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.9 | -36.3 | 176.9 | -67.1 | 170 | 0 | 0 | 0 | 111.8 | V8 A9 R14 C15 A16 | V8-L12 HydrophobicContact CG1-CD1 3.88Å; V8-L12 HydrophobicContact CG1-CG 4.4Å; V8-L12 WeakPolarHBondContact O-CG 3.31Å; V8-L12 PolarHBondContact O-N 3.47Å; A9-L12 PolarHBondContact O-N 2.94Å; L12-R14 VanDerWaalsContact C-N 3.33Å; L12-R14 PolarHBondContact O-N 3.21Å; L12-C15 WeakPolarHBondContact O-CB 3.32Å; L12-C15 PolarHBondContact O-N 3.29Å; L12-C15 VanDerWaalsContact O-N 3.15Å; L12-A16 PolarHBondContact O-N 3.44Å |
| 13 | L | 55.7 | Low | 69.7 | Low | 123 Ų | 123 | 101.7 Ų | 101.7 | 64% | 0.644 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.6 | -34 | 175.1 | -155 | 73.9 | 0 | 0 | 0 | 112 | A9 F11 C15 A16 | A9-L13 VanDerWaalsContact O-CB 3.25Å; A9-L13 WeakPolarHBondContact O-CB 3.46Å; A9-L13 PolarHBondContact O-N 3.43Å; F11-L13 VanDerWaalsContact C-N 3.3Å; F11-L13 PolarHBondContact O-N 2.92Å; L13-C15 VanDerWaalsContact C-N 3.33Å; L13-A16 WeakPolarHBondContact O-CB 3.49Å; L13-A16 PolarHBondContact O-N 3.38Å |
| 14 | R | 51.4 | Low | 70.9 | Confident | 203 Ų | 203 | 97.1 Ų | 97.1 | 77% | 0.766 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.2 | -28 | 171.4 | -75.7 | 177.7 | -179.9 | -134.2 | 0.3 | 112.8 | L10 F11 L12 A16 V17 | L10-R14 WeakPolarHBondContact O-CG 3.27Å; L10-R14 PolarHBondContact O-N 3.11Å; L10-R14 VanDerWaalsContact O-N 3.07Å; F11-R14 WeakPolarHBondContact O-CB 3.41Å; F11-R14 PolarHBondContact O-N 3.28Å; F11-R14 VanDerWaalsContact O-N 3.13Å; L12-R14 VanDerWaalsContact C-N 3.33Å; L12-R14 PolarHBondContact O-N 3.21Å; R14-A16 VanDerWaalsContact C-N 3.26Å; R14-A16 PolarHBondContact O-N 3.41Å; R14-V17 WeakPolarHBondContact O-CG2 3.3Å |
| 15 | C | 53.5 | Low | 71.9 | Confident | 105 Ų | 105 | 92.5 Ų | 92.5 | 71% | 0.709 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73.7 | -13.6 | 171.9 | -63.3 | 0 | 0 | 0 | 0 | 113.6 | F11 L12 L13 V17 | F11-C15 PolarHBondContact O-N 3.42Å; F11-C15 VanDerWaalsContact O-N 3.13Å; F11-C15 PolarHBondContact O-SG 2.89Å; L12-C15 WeakPolarHBondContact O-CB 3.32Å; L12-C15 PolarHBondContact O-N 3.29Å; L12-C15 VanDerWaalsContact O-N 3.15Å; L13-C15 VanDerWaalsContact C-N 3.33Å; C15-V17 VanDerWaalsContact C-N 3.31Å; C15-V17 PolarHBondContact O-N 2.88Å |
| 16 | A | 52.1 | Low | 73 | Confident | 73 Ų | 73 | 92 Ų | 92 | 60% | 0.603 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 5.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L12 L13 R14 S18 | L12-A16 PolarHBondContact O-N 3.44Å; L13-A16 WeakPolarHBondContact O-CB 3.49Å; L13-A16 PolarHBondContact O-N 3.38Å; R14-A16 VanDerWaalsContact C-N 3.26Å; R14-A16 PolarHBondContact O-N 3.41Å; A16-S18 PolarHBondContact O-N 2.97Å |
| 17 | V | 55.2 | Low | 73.9 | Confident | 115 Ų | 115 | 87.8 Ų | 87.8 | 70% | 0.697 | 49% | 0.486 | S | S | * | . | trans | -69.2 | 96 | 173.3 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | R14 C15 S19 | R14-V17 WeakPolarHBondContact O-CG2 3.3Å; C15-V17 VanDerWaalsContact C-N 3.31Å; C15-V17 PolarHBondContact O-N 2.88Å; V17-S19 PolarHBondContact O-N 2.98Å | ||
| 18 | S | 57.9 | Low | 75 | Confident | 67 Ų | 67 | 84.2 Ų | 84.2 | 47% | 0.469 | 48% | 0.478 | S | S | . | . | trans | -58.9 | 100.5 | 173.9 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | A16 S20 | A16-S18 PolarHBondContact O-N 2.97Å; S18-S20 PolarHBondContact O-N 3.31Å | ||
| 19 | S | 70.3 | Confident | 76.1 | Confident | 99 Ų | 99 | 81.9 Ų | 81.9 | 69% | 0.692 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 129.7 | -179.3 | 46 | 0 | 0 | 0 | 0 | 110.5 | V17 S111 | V17-S19 PolarHBondContact O-N 2.98Å; S19-S111 PolarHBondContact O-OG 2.8Å |
| 20 | S | 82.2 | Confident | 77.2 | Confident | 67 Ų | 67 | 81.9 Ų | 81.9 | 47% | 0.469 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 131.7 | 168 | 175.4 | 0 | 0 | 0 | 0 | 107.3 | S18 F112 S113 | S18-S20 PolarHBondContact O-N 3.31Å; S20-F112 PolarHBondContact OG-O 3.37Å; S20-S113 WeakPolarHBondContact OG-CA 3.46Å |
| 21 | P | 88 | Confident | 78.6 | Confident | 14 Ų | 14 | 78 Ų | 78 | 9% | 0.091 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 148.4 | 178.8 | 26.7 | -35.6 | 0 | 0 | 0 | 110.1 | K23 A106 S113 | P21-K23 PolarHBondContact O-N 2.99Å; P21-A106 HydrophobicContact CB-CB 3.96Å; P21-A106 HydrophobicContact CG-CB 3.92Å; P21-S113 WeakPolarHBondContact O-CB 3.36Å |
| 22 | P | 92.2 | Very high | 80.2 | Confident | 44 Ų | 44 | 73.4 Ų | 73.4 | 29% | 0.286 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 140.7 | 176.4 | -27.4 | 35.8 | 0 | 0 | 0 | 111.5 | N44 | P22-N44 VanDerWaalsContact CG-O 3.32Å; P22-N44 WeakPolarHBondContact CG-O 3.38Å |
| 23 | K | 94.8 | Very high | 81.8 | Confident | 118 Ų | 118 | 69.3 Ų | 69.3 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 144.1 | 177.2 | 70.7 | 167.5 | -170 | 158.7 | 0 | 109.8 | P21 G43 | P21-K23 PolarHBondContact O-N 2.99Å; K23-G43 WeakPolarHBondContact O-CA 3.39Å |
| 24 | P | 96.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -55 | 158.8 | 168.6 | -26.2 | 35.7 | 0 | 0 | 0 | 112.4 | V27 W40 F41 F52 V104 T116 | P24-V27 HydrophobicContact CB-CG2 4.44Å; P24-W40 HydrophobicContact CB-CB 4.42Å; P24-W40 HydrophobicContact CB-CG 4.42Å; P24-F41 WeakPolarHBondContact CA-O 3.25Å; P24-F52 HydrophobicContact CG-CD1 4.1Å; P24-F52 HydrophobicContact CG-CE1 4.08Å; P24-V104 HydrophobicContact CB-CG1 3.85Å; P24-V104 HydrophobicContact CG-CG1 3.99Å; P24-V104 HydrophobicContact CG-CG2 4.29Å; P24-T116 WeakPolarHBondContact O-CG2 3.4Å; P24-T116 PolarHBondContact O-OG1 2.72Å; P24-T116 VanDerWaalsContact O-OG1 3.07Å |
| 25 | I | 96.1 | Very high | 85.9 | Confident | 69 Ų | 69 | 58.6 Ų | 58.6 | 35% | 0.354 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 165 | 176.7 | 66.3 | -177.8 | 0 | 0 | 0 | 110.5 | V27 F41 | I25-V27 PolarHBondContact O-N 3.27Å; I25-F41 HydrophobicContact CD1-CB 4.48Å; I25-F41 HydrophobicContact CG1-CB 3.85Å; I25-F41 PolarHBondContact N-O 2.9Å; I25-F41 PolarHBondContact O-N 3.33Å |
| 26 | N | 95.8 | Very high | 87.9 | Confident | 107 Ų | 107 | 53.6 Ų | 53.6 | 57% | 0.572 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.8 | 50.1 | 178.8 | -61.9 | 4.7 | 0 | 0 | 0 | 113.7 | S28 F41 | N26-S28 PolarHBondContact O-N 3.46Å; N26-F41 HydrophobicContact CB-CD2 3.87Å; N26-F41 HydrophobicContact CB-CE2 4.23Å |
| 27 | V | 97.6 | Very high | 90.1 | Very high | 8 Ų | 8 | 50.9 Ų | 50.9 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 110.3 | 177.9 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | P24 I25 L38 H39 W40 V104 T116 T118 | P24-V27 HydrophobicContact CB-CG2 4.44Å; I25-V27 PolarHBondContact O-N 3.27Å; V27-L38 HydrophobicContact CG1-CD1 3.97Å; V27-L38 HydrophobicContact CG1-CD2 4.36Å; V27-L38 HydrophobicContact CG1-CG 4.38Å; V27-H39 WeakPolarHBondContact CA-O 3.32Å; V27-W40 HydrophobicContact CG2-CB 4.02Å; V27-V104 HydrophobicContact CB-CG1 4.48Å; V27-V104 HydrophobicContact CG1-CG1 4.03Å; V27-V104 HydrophobicContact CG2-CG1 3.56Å; V27-T116 HydrophobicContact CG2-CG2 3.62Å; V27-T118 HydrophobicContact CG1-CG2 3.98Å |
| 28 | S | 97 | Very high | 92.1 | Very high | 64 Ų | 64 | 45.4 Ų | 45.4 | 45% | 0.448 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 154.2 | -176.4 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | N26 H39 | N26-S28 PolarHBondContact O-N 3.46Å; S28-H39 PolarHBondContact N-O 2.82Å; S28-H39 PolarHBondContact O-N 2.91Å |
| 29 | F | 97.4 | Very high | 94 | Very high | 33 Ų | 33 | 45.7 Ų | 45.7 | 15% | 0.145 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 147.3 | 169.9 | -79.5 | -89.4 | 0 | 0 | 0 | 111.2 | N36 V37 L38 L89 T93 A102 T118 F122 | F29-N36 HydrophobicContact CD1-CB 4.49Å; F29-V37 CarbonylContact C-O 3.42Å; F29-V37 WeakPolarHBondContact CA-O 3.36Å; F29-L38 HydrophobicContact CD1-CD1 4.5Å; F29-L38 HydrophobicContact CD2-CD1 4.02Å; F29-L38 HydrophobicContact CE2-CD1 4.03Å; F29-L38 HydrophobicContact CG-CD1 4.28Å; F29-L38 HydrophobicContact CZ-CD1 4.29Å; F29-L89 HydrophobicContact CE1-CB 4.3Å; F29-L89 HydrophobicContact CE1-CD1 3.75Å; F29-L89 HydrophobicContact CZ-CD1 3.85Å; F29-T93 HydrophobicContact CE1-CG2 4.39Å; F29-A102 HydrophobicContact CE2-CB 3.69Å; F29-A102 HydrophobicContact CZ-CB 3.67Å; F29-T118 HydrophobicContact CD2-CG2 3.89Å; F29-T118 HydrophobicContact CE2-CG2 3.9Å; F29-F122 HydrophobicContact CB-CB 4.48Å; F29-F122 HydrophobicContact CB-CD1 4.28Å; F29-F122 HydrophobicContact CB-CD2 3.59Å; F29-F122 HydrophobicContact CB-CE1 4.47Å; F29-F122 HydrophobicContact CB-CE2 3.8Å; F29-F122 HydrophobicContact CB-CG 3.86Å; F29-F122 HydrophobicContact CB-CZ 4.25Å; F29-F122 AromaticContact CD1-CD1 3.7Å; F29-F122 HydrophobicContact CD1-CD1 3.7Å; F29-F122 AromaticContact CD1-CE1 3.76Å; F29-F122 HydrophobicContact CD1-CE1 3.76Å; F29-F122 HydrophobicContact CD1-CG 4.1Å; F29-F122 HydrophobicContact CD1-CZ 4.21Å; F29-F122 HydrophobicContact CD2-CB 3.43Å; F29-F122 VanDerWaalsContact CD2-CB 3.43Å; F29-F122 AromaticContact CD2-CD1 3.77Å; F29-F122 HydrophobicContact CD2-CD1 3.77Å; F29-F122 HydrophobicContact CD2-CD2 4.12Å; F29-F122 AromaticContact CD2-CG 3.49Å; F29-F122 HydrophobicContact CD2-CG 3.49Å; F29-F122 VanDerWaalsContact CD2-CG 3.49Å; F29-F122 AromaticContact CE1-CD1 3.79Å; F29-F122 HydrophobicContact CE1-CD1 3.79Å; F29-F122 HydrophobicContact CE1-CE1 4.01Å; F29-F122 HydrophobicContact CE1-CG 4.49Å; F29-F122 HydrophobicContact CE2-CB 3.71Å; F29-F122 AromaticContact CE2-CD1 3.86Å; F29-F122 HydrophobicContact CE2-CD1 3.86Å; F29-F122 AromaticContact CE2-CG 3.94Å; F29-F122 HydrophobicContact CE2-CG 3.94Å; F29-F122 HydrophobicContact CG-CB 4.05Å; F29-F122 AromaticContact CG-CD1 3.67Å; F29-F122 HydrophobicContact CG-CD1 3.67Å; F29-F122 AromaticContact CG-CD2 3.86Å; F29-F122 HydrophobicContact CG-CD2 3.86Å; F29-F122 HydrophobicContact CG-CE1 4.06Å; F29-F122 HydrophobicContact CG-CE2 4.23Å; F29-F122 AromaticContact CG-CG 3.57Å; F29-F122 HydrophobicContact CG-CG 3.57Å; F29-F122 HydrophobicContact CG-CZ 4.33Å; F29-F122 AromaticContact CZ-CD1 3.87Å; F29-F122 HydrophobicContact CZ-CD1 3.87Å; F29-F122 HydrophobicContact CZ-CG 4.41Å |
| 30 | S | 96.4 | Very high | 95.3 | Very high | 56 Ų | 56 | 41.1 Ų | 41.1 | 39% | 0.392 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.3 | 162.1 | -175.5 | 0 | 0 | 0 | 0 | 107.5 | V37 | S30-V37 PolarHBondContact N-O 2.93Å; S30-V37 PolarHBondContact O-N 3.35Å |
| 31 | S | 97.1 | Very high | 96 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 126.6 | -177.5 | -176.5 | 0 | 0 | 0 | 0 | 112.3 | R35 N36 T128 I129 | S31-R35 WeakPolarHBondContact CA-O 3.37Å; S31-N36 WeakPolarHBondContact CB-OD1 3.35Å; S31-N36 PolarHBondContact OG-OD1 3.36Å; S31-T128 WeakPolarHBondContact OG-CA 3.25Å; S31-T128 WeakPolarHBondContact OG-CB 3.49Å; S31-T128 PolarHBondContact OG-OG1 2.94Å; S31-I129 WeakPolarHBondContact O-CB 3.27Å; S31-I129 WeakPolarHBondContact O-CG1 3.34Å; S31-I129 PolarHBondContact O-N 3.37Å |
| 32 | V | 96.2 | Very high | 96.3 | Very high | 55 Ų | 55 | 45.6 Ų | 45.6 | 33% | 0.333 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 123.8 | 175.2 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | L34 R35 I129 | V32-L34 PolarHBondContact O-N 3.05Å; V32-R35 PolarHBondContact N-O 3.28Å; V32-R35 WeakPolarHBondContact O-CB 3.44Å; V32-R35 PolarHBondContact O-N 3.4Å; V32-I129 CarbonylContact C-O 3.52Å; V32-I129 WeakPolarHBondContact CA-O 3.3Å; V32-I129 HydrophobicContact CG2-CB 4.35Å |
| 33 | N | 95.4 | Very high | 96.3 | Very high | 30 Ų | 30 | 43.9 Ų | 43.9 | 16% | 0.16 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 40.5 | -172.4 | -60.3 | -19.5 | 0 | 0 | 0 | 113.5 | R35 T128 I129 G131 P151 V152 Y154 M165 | N33-R35 PolarHBondContact O-N 3.08Å; N33-T128 PolarHBondContact N-OG1 2.91Å; N33-I129 PolarHBondContact N-O 3.35Å; N33-G131 PolarHBondContact OD1-N 3.44Å; N33-P151 WeakPolarHBondContact ND2-CB 3.44Å; N33-P151 WeakPolarHBondContact OD1-CB 3.16Å; N33-V152 WeakPolarHBondContact CB-O 3.19Å; N33-Y154 PolarHBondContact O-N 3.46Å; N33-M165 HydrophobicContact CB-SD 4.24Å |
| 34 | L | 95.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 19.8 | -173 | -58.4 | 166 | 0 | 0 | 0 | 114.8 | V32 N36 E96 P124 T128 R153 M165 I168 | V32-L34 PolarHBondContact O-N 3.05Å; L34-N36 PolarHBondContact O-N 3.25Å; L34-N36 PolarHBondContact O-OD1 2.93Å; L34-E96 HydrophobicContact CD1-CB 4.3Å; L34-E96 HydrophobicContact CD2-CB 4.28Å; L34-P124 HydrophobicContact CD2-CB 3.6Å; L34-P124 WeakPolarHBondContact CD2-O 3.47Å; L34-T128 HydrophobicContact CD2-CG2 3.85Å; L34-T128 HydrophobicContact CG-CG2 4.25Å; L34-T128 PolarHBondContact N-OG1 3.23Å; L34-R153 HydrophobicContact CB-CG 4.17Å; L34-R153 HydrophobicContact CD1-CG 4.27Å; L34-M165 HydrophobicContact CD1-CE 3.83Å; L34-M165 HydrophobicContact CG-CE 4.06Å; L34-I168 HydrophobicContact CD1-CD1 3.83Å; L34-I168 HydrophobicContact CD1-CG2 4.42Å |
| 35 | R | 96.1 | Very high | 95.6 | Very high | 98 Ų | 98 | 49 Ų | 49 | 37% | 0.37 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 98.2 | 160.9 | -172 | 172.7 | -174.9 | -155.4 | -3.8 | 109.2 | S31 V32 N33 V37 D88 S90 Y154 | S31-R35 WeakPolarHBondContact CA-O 3.37Å; V32-R35 PolarHBondContact N-O 3.28Å; V32-R35 WeakPolarHBondContact O-CB 3.44Å; V32-R35 PolarHBondContact O-N 3.4Å; N33-R35 PolarHBondContact O-N 3.08Å; R35-V37 HydrophobicContact CG-CG2 3.99Å; R35-D88 IonicContact CZ-OD2 2.67Å; R35-D88 VanDerWaalsContact CZ-OD2 3.24Å; R35-D88 IonicContact NE-OD2 3.11Å; R35-D88 PolarHBondContact NE-OD2 3.49Å; R35-D88 IonicContact NH2-OD2 3.2Å; R35-D88 PolarHBondContact NH2-OD2 2.96Å; R35-S90 WeakPolarHBondContact CA-OG 3.33Å; R35-Y154 HydrophobicContact CB-CD1 3.77Å; R35-Y154 HydrophobicContact CB-CD2 4.27Å; R35-Y154 HydrophobicContact CB-CE1 4.49Å; R35-Y154 HydrophobicContact CB-CG 3.61Å; R35-Y154 HydrophobicContact CG-CD1 3.51Å; R35-Y154 HydrophobicContact CG-CD2 4.11Å; R35-Y154 HydrophobicContact CG-CE1 3.74Å; R35-Y154 HydrophobicContact CG-CE2 4.34Å; R35-Y154 HydrophobicContact CG-CG 3.69Å |
| 36 | N | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 100.6 | -170.6 | -59.3 | -27.2 | 0 | 0 | 0 | 110 | F29 S31 L34 L89 S90 T93 F122 | F29-N36 HydrophobicContact CD1-CB 4.49Å; S31-N36 WeakPolarHBondContact CB-OD1 3.35Å; S31-N36 PolarHBondContact OG-OD1 3.36Å; L34-N36 PolarHBondContact O-N 3.25Å; L34-N36 PolarHBondContact O-OD1 2.93Å; N36-L89 CarbonylContact O-C 3.56Å; N36-L89 WeakPolarHBondContact O-CA 3.45Å; N36-L89 PolarHBondContact O-N 3.26Å; N36-S90 PolarHBondContact N-OG 3.19Å; N36-S90 PolarHBondContact O-N 3.39Å; N36-T93 WeakPolarHBondContact CB-OG1 3.4Å; N36-T93 PolarHBondContact ND2-O 3.32Å; N36-T93 PolarHBondContact ND2-OG1 2.83Å; N36-F122 HydrophobicContact CB-CE1 3.96Å; N36-F122 HydrophobicContact CB-CZ 4.14Å |
| 37 | V | 97.6 | Very high | 94.7 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 124.3 | -177.6 | -169.9 | 0 | 0 | 0 | 0 | 110 | F29 S30 R35 H39 W86 C87 | F29-V37 CarbonylContact C-O 3.42Å; F29-V37 WeakPolarHBondContact CA-O 3.36Å; S30-V37 PolarHBondContact N-O 2.93Å; S30-V37 PolarHBondContact O-N 3.35Å; R35-V37 HydrophobicContact CG-CG2 3.99Å; V37-H39 WeakPolarHBondContact CG1-NE2 3.36Å; V37-H39 PolarHBondContact O-CD2 3.37Å; V37-W86 HydrophobicContact CG1-CB 4.29Å; V37-W86 HydrophobicContact CG1-CE3 4.01Å; V37-C87 CarbonylContact C-O 3.56Å; V37-C87 WeakPolarHBondContact CA-O 3.5Å; V37-C87 WeakPolarHBondContact CG1-O 3.34Å |
| 38 | L | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 131.5 | 169.9 | -169.9 | 74 | 0 | 0 | 0 | 109.8 | V27 F29 W40 V54 W86 C87 L89 A102 T118 | V27-L38 HydrophobicContact CG1-CD1 3.97Å; V27-L38 HydrophobicContact CG1-CD2 4.36Å; V27-L38 HydrophobicContact CG1-CG 4.38Å; F29-L38 HydrophobicContact CD1-CD1 4.5Å; F29-L38 HydrophobicContact CD2-CD1 4.02Å; F29-L38 HydrophobicContact CE2-CD1 4.03Å; F29-L38 HydrophobicContact CG-CD1 4.28Å; F29-L38 HydrophobicContact CZ-CD1 4.29Å; L38-W40 HydrophobicContact CB-CZ3 4.46Å; L38-W40 HydrophobicContact CD2-CE3 4.12Å; L38-W40 HydrophobicContact CD2-CZ3 4.06Å; L38-W40 HydrophobicContact CG-CE3 4.17Å; L38-W40 HydrophobicContact CG-CZ3 4.28Å; L38-V54 HydrophobicContact CD2-CG1 3.65Å; L38-V54 HydrophobicContact CD2-CG2 4.28Å; L38-W86 CarbonylContact O-C 3.55Å; L38-W86 WeakPolarHBondContact O-CA 3.39Å; L38-C87 HydrophobicContact CB-CB 4.42Å; L38-C87 PolarHBondContact N-O 3.2Å; L38-C87 PolarHBondContact O-N 2.83Å; L38-L89 HydrophobicContact CB-CD1 3.89Å; L38-L89 HydrophobicContact CB-CG 4.47Å; L38-L89 HydrophobicContact CD2-CD1 4.38Å; L38-A102 HydrophobicContact CD1-CB 3.74Å; L38-A102 HydrophobicContact CD2-CB 3.82Å; L38-A102 HydrophobicContact CG-CB 4.38Å; L38-T118 HydrophobicContact CD1-CG2 3.77Å |
| 39 | H | 97.9 | Very high | 93.7 | Very high | 74 Ų | 74 | 52.6 Ų | 52.6 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 153.1 | 173.4 | -65.9 | -91.3 | 0 | 0 | 0 | 110.6 | V27 S28 V37 | V27-H39 WeakPolarHBondContact CA-O 3.32Å; S28-H39 PolarHBondContact N-O 2.82Å; S28-H39 PolarHBondContact O-N 2.91Å; V37-H39 WeakPolarHBondContact CG1-NE2 3.36Å; V37-H39 PolarHBondContact O-CD2 3.37Å |
| 40 | W | 97.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 1% | 0.011 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 169.1 | 170.3 | 59.3 | 95 | 0 | 0 | 0 | 110.2 | P24 V27 L38 F52 V54 I82 R84 T85 W86 C87 V104 | P24-W40 HydrophobicContact CB-CB 4.42Å; P24-W40 HydrophobicContact CB-CG 4.42Å; V27-W40 HydrophobicContact CG2-CB 4.02Å; L38-W40 HydrophobicContact CB-CZ3 4.46Å; L38-W40 HydrophobicContact CD2-CE3 4.12Å; L38-W40 HydrophobicContact CD2-CZ3 4.06Å; L38-W40 HydrophobicContact CG-CE3 4.17Å; L38-W40 HydrophobicContact CG-CZ3 4.28Å; W40-F52 HydrophobicContact CZ2-CB 3.88Å; W40-F52 HydrophobicContact CZ2-CD2 4.24Å; W40-F52 HydrophobicContact CZ2-CG 4.06Å; W40-F52 AromaticContact NE1-CD1 3.52Å; W40-F52 AromaticContact NE1-CD2 3.7Å; W40-F52 AromaticContact NE1-CE1 3.73Å; W40-F52 AromaticContact NE1-CE2 3.91Å; W40-F52 AromaticContact NE1-CG 3.52Å; W40-F52 AromaticContact NE1-CZ 3.93Å; W40-V54 HydrophobicContact CH2-CG2 3.53Å; W40-V54 HydrophobicContact CZ2-CG2 4.34Å; W40-V54 HydrophobicContact CZ3-CG2 3.71Å; W40-I82 HydrophobicContact CH2-CD1 3.9Å; W40-I82 HydrophobicContact CZ2-CD1 4.25Å; W40-R84 VanDerWaalsContact CZ2-O 3.24Å; W40-R84 WeakPolarHBondContact CZ2-O 3.26Å; W40-T85 PolarHBondContact N-O 3.11Å; W40-T85 VanDerWaalsContact N-O 3.13Å; W40-T85 WeakPolarHBondContact O-CB 3.37Å; W40-W86 VanDerWaalsContact CH2-C 3.47Å; W40-C87 HydrophobicContact CH2-CB 4.03Å; W40-C87 HydrophobicContact CZ3-CB 3.91Å; W40-V104 HydrophobicContact CB-CG1 4.13Å; W40-V104 HydrophobicContact CD2-CB 4.35Å; W40-V104 HydrophobicContact CD2-CG1 4.03Å; W40-V104 HydrophobicContact CD2-CG2 3.94Å; W40-V104 HydrophobicContact CE3-CB 4.47Å; W40-V104 HydrophobicContact CE3-CG1 4.33Å; W40-V104 HydrophobicContact CE3-CG2 4.34Å; W40-V104 HydrophobicContact CG-CG1 3.95Å; W40-V104 HydrophobicContact CG-CG2 4.4Å; W40-V104 HydrophobicContact CH2-CG2 4.39Å; W40-V104 HydrophobicContact CZ2-CG2 3.95Å |
| 41 | F | 96.3 | Very high | 93.4 | Very high | 121 Ų | 121 | 52.6 Ų | 52.6 | 53% | 0.531 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 151.9 | 163.3 | -58.7 | -46.4 | 0 | 0 | 0 | 110.5 | P24 I25 N26 | P24-F41 WeakPolarHBondContact CA-O 3.25Å; I25-F41 HydrophobicContact CD1-CB 4.48Å; I25-F41 HydrophobicContact CG1-CB 3.85Å; I25-F41 PolarHBondContact N-O 2.9Å; I25-F41 PolarHBondContact O-N 3.33Å; N26-F41 HydrophobicContact CB-CD2 3.87Å; N26-F41 HydrophobicContact CB-CE2 4.23Å |
| 42 | P | 95 | Very high | 93.4 | Very high | 54 Ų | 54 | 52.5 Ų | 52.5 | 35% | 0.351 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 155.8 | 167 | -20.4 | 33.6 | 0 | 0 | 0 | 111 | T46 F52 T85 | P42-T46 HydrophobicContact CB-CG2 3.96Å; P42-F52 HydrophobicContact CB-CZ 4.33Å; P42-F52 HydrophobicContact CG-CZ 4.29Å; P42-T85 HydrophobicContact CG-CG2 3.97Å |
| 43 | G | 91.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 156 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K23 G45 T46 | K23-G43 WeakPolarHBondContact O-CA 3.39Å; G43-G45 PolarHBondContact O-N 3.23Å; G43-T46 PolarHBondContact N-OG1 2.87Å; G43-T46 VanDerWaalsContact O-CB 3.23Å; G43-T46 WeakPolarHBondContact O-CB 3.29Å; G43-T46 PolarHBondContact O-N 3.42Å; G43-T46 PolarHBondContact O-OG1 3.32Å; G43-T46 VanDerWaalsContact O-OG1 3.05Å |
| 44 | N | 90.3 | Very high | 93.6 | Very high | 163 Ų | 163 | 49 Ų | 49 | 87% | 0.872 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 130.5 | 176.2 | -168.9 | 13.8 | 0 | 0 | 0 | 110.2 | P22 | P22-N44 VanDerWaalsContact CG-O 3.32Å; P22-N44 WeakPolarHBondContact CG-O 3.38Å |
| 45 | G | 84.7 | Confident | 93.8 | Very high | 62 Ų | 62 | 50.7 Ų | 50.7 | 64% | 0.639 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 10.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | G43 P47 | G43-G45 PolarHBondContact O-N 3.23Å; G45-P47 WeakPolarHBondContact O-CD 3.44Å |
| 46 | T | 87.6 | Confident | 93.8 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 14% | 0.135 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 125.9 | 167.2 | -68.9 | 0 | 0 | 0 | 0 | 109.6 | P42 G43 T50 | P42-T46 HydrophobicContact CB-CG2 3.96Å; G43-T46 PolarHBondContact N-OG1 2.87Å; G43-T46 VanDerWaalsContact O-CB 3.23Å; G43-T46 WeakPolarHBondContact O-CB 3.29Å; G43-T46 PolarHBondContact O-N 3.42Å; G43-T46 PolarHBondContact O-OG1 3.32Å; G43-T46 VanDerWaalsContact O-OG1 3.05Å; T46-T50 VanDerWaalsContact CG2-CB 3.5Å; T46-T50 HydrophobicContact CG2-CG2 3.69Å; T46-T50 WeakPolarHBondContact CG2-OG1 3.46Å |
| 47 | P | 86.6 | Confident | 93.8 | Very high | 86 Ų | 86 | 47.4 Ų | 47.4 | 56% | 0.558 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 149.9 | 177.3 | -22.2 | 33.9 | 0 | 0 | 0 | 113.4 | G45 T50 | G45-P47 WeakPolarHBondContact O-CD 3.44Å; P47-T50 VanDerWaalsContact O-CB 3.28Å; P47-T50 WeakPolarHBondContact O-CB 3.05Å; P47-T50 PolarHBondContact O-N 3.09Å; P47-T50 PolarHBondContact O-OG1 3.01Å |
| 48 | D | 85.9 | Confident | 93.7 | Very high | 167 Ų | 167 | 47.8 Ų | 47.8 | 89% | 0.893 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 147.1 | 170.5 | -62.6 | -55.6 | 0 | 0 | 0 | 111.8 | T50 | D48-T50 PolarHBondContact O-N 2.9Š|
| 49 | G | 87.8 | Confident | 93.5 | Very high | 49 Ų | 49 | 53.3 Ų | 53.3 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 7.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | H51 | G49-H51 PolarHBondContact O-CD2 3.37Å; G49-H51 PolarHBondContact O-N 2.86Å |
| 50 | T | 92.6 | Very high | 93.1 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | trans | -60 | 130.3 | 171.8 | -68.2 | 0 | 0 | 0 | 0 | 110.8 | T46 P47 D48 F52 A106 | T46-T50 VanDerWaalsContact CG2-CB 3.5Å; T46-T50 HydrophobicContact CG2-CG2 3.69Å; T46-T50 WeakPolarHBondContact CG2-OG1 3.46Å; P47-T50 VanDerWaalsContact O-CB 3.28Å; P47-T50 WeakPolarHBondContact O-CB 3.05Å; P47-T50 PolarHBondContact O-N 3.09Å; P47-T50 PolarHBondContact O-OG1 3.01Å; D48-T50 PolarHBondContact O-N 2.9Å; T50-F52 HydrophobicContact CG2-CE1 4.44Å; T50-F52 HydrophobicContact CG2-CZ 4.29Å; T50-F52 VanDerWaalsContact O-CE2 3.28Å; T50-F52 WeakPolarHBondContact O-CE2 3.49Å; T50-A106 HydrophobicContact CG2-CB 3.88Å | ||
| 51 | H | 95.4 | Very high | 92.7 | Very high | 71 Ų | 71 | 56 Ų | 56 | 33% | 0.329 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 157.7 | 176.4 | -67 | -118.5 | 0 | 0 | 0 | 111.4 | G49 N81 I82 L107 | G49-H51 PolarHBondContact O-CD2 3.37Å; G49-H51 PolarHBondContact O-N 2.86Å; H51-N81 VanDerWaalsContact CB-OD1 3.26Å; H51-N81 WeakPolarHBondContact CB-OD1 3.47Å; H51-N81 PolarHBondContact ND1-O 2.04Å; H51-N81 PolarHBondContact ND1-OD1 2.93Å; H51-I82 CarbonylContact C-O 3.58Å; H51-I82 WeakPolarHBondContact CA-O 3.5Å; H51-L107 HydrophobicContact CB-CB 4.3Å; H51-L107 HydrophobicContact CB-CD1 4.04Å; H51-L107 HydrophobicContact CB-CG 4.45Å; H51-L107 WeakPolarHBondContact O-CB 3.15Å; H51-L107 WeakPolarHBondContact O-CG 3.17Å; H51-L107 PolarHBondContact O-N 3.45Å |
| 52 | F | 96.9 | Very high | 92.3 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.018 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 155.5 | -179.6 | -57.5 | -83.9 | 0 | 0 | 0 | 111.5 | P24 W40 P42 T50 N81 I82 T85 V104 R105 A106 | P24-F52 HydrophobicContact CG-CD1 4.1Å; P24-F52 HydrophobicContact CG-CE1 4.08Å; W40-F52 HydrophobicContact CZ2-CB 3.88Å; W40-F52 HydrophobicContact CZ2-CD2 4.24Å; W40-F52 HydrophobicContact CZ2-CG 4.06Å; W40-F52 AromaticContact NE1-CD1 3.52Å; W40-F52 AromaticContact NE1-CD2 3.7Å; W40-F52 AromaticContact NE1-CE1 3.73Å; W40-F52 AromaticContact NE1-CE2 3.91Å; W40-F52 AromaticContact NE1-CG 3.52Å; W40-F52 AromaticContact NE1-CZ 3.93Å; P42-F52 HydrophobicContact CB-CZ 4.33Å; P42-F52 HydrophobicContact CG-CZ 4.29Å; T50-F52 HydrophobicContact CG2-CE1 4.44Å; T50-F52 HydrophobicContact CG2-CZ 4.29Å; T50-F52 VanDerWaalsContact O-CE2 3.28Å; T50-F52 WeakPolarHBondContact O-CE2 3.49Å; F52-N81 CarbonylContact O-C 3.55Å; F52-N81 VanDerWaalsContact O-CA 3.29Å; F52-N81 WeakPolarHBondContact O-CA 3.43Å; F52-N81 PolarHBondContact O-N 3.24Å; F52-I82 WeakPolarHBondContact CD2-O 3.41Å; F52-I82 PolarHBondContact N-O 2.93Å; F52-I82 PolarHBondContact O-N 2.87Å; F52-T85 HydrophobicContact CE2-CG2 4.12Å; F52-V104 HydrophobicContact CB-CG2 3.95Å; F52-V104 HydrophobicContact CD1-CG2 4.22Å; F52-V104 HydrophobicContact CG-CG2 4.42Å; F52-R105 VanDerWaalsContact CA-O 3.28Å; F52-R105 WeakPolarHBondContact CA-O 3.34Å; F52-A106 HydrophobicContact CD1-CB 4.07Å; F52-A106 HydrophobicContact CE1-CB 3.89Å |
| 53 | T | 97.5 | Very high | 91.8 | Very high | 12 Ų | 12 | 57.8 Ų | 57.8 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 133.1 | 166 | -61.9 | 0 | 0 | 0 | 0 | 109.3 | T80 V104 R105 W115 | T53-T80 HydrophobicContact CG2-CG2 4.37Å; T53-V104 WeakPolarHBondContact O-CA 3.49Å; T53-R105 PolarHBondContact N-O 3.46Å; T53-R105 VanDerWaalsContact N-O 3.1Å; T53-R105 PolarHBondContact O-N 3.01Å; T53-R105 VanDerWaalsContact O-N 3.16Å; T53-W115 HydrophobicContact CG2-CH2 4.25Å; T53-W115 WeakPolarHBondContact O-CZ3 3.48Å |
| 54 | V | 98.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 146.4 | 172.9 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | L38 W40 C79 C87 L89 R103 V104 | L38-V54 HydrophobicContact CD2-CG1 3.65Å; L38-V54 HydrophobicContact CD2-CG2 4.28Å; W40-V54 HydrophobicContact CH2-CG2 3.53Å; W40-V54 HydrophobicContact CZ2-CG2 4.34Å; W40-V54 HydrophobicContact CZ3-CG2 3.71Å; V54-C79 HydrophobicContact CB-CB 3.91Å; V54-C79 HydrophobicContact CG2-CB 4.05Å; V54-C79 PolarHBondContact N-O 2.87Å; V54-C87 HydrophobicContact CB-CB 4.5Å; V54-C87 HydrophobicContact CG2-CB 3.89Å; V54-L89 HydrophobicContact CG1-CD1 4.34Å; V54-L89 HydrophobicContact CG1-CD2 4.36Å; V54-R103 CarbonylContact C-O 3.43Å; V54-R103 WeakPolarHBondContact CA-O 3.49Å; V54-V104 HydrophobicContact CG2-CB 4.3Å; V54-V104 HydrophobicContact CG2-CG2 4.12Å |
| 55 | Q | 97.9 | Very high | 91.2 | Very high | 37 Ų | 37 | 62.4 Ų | 62.4 | 17% | 0.173 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 153.8 | 169.4 | -71.1 | -169.2 | -29.3 | 0 | 0 | 110.2 | W73 R74 A102 R103 W115 | Q55-W73 HydrophobicContact CB-CE3 4.11Å; Q55-R74 WeakPolarHBondContact CA-O 3.42Å; Q55-R74 WeakPolarHBondContact CB-O 3.07Å; Q55-R74 WeakPolarHBondContact CG-O 3.43Å; Q55-A102 CarbonylContact O-C 3.26Å; Q55-A102 WeakPolarHBondContact O-CA 3.08Å; Q55-R103 HydrophobicContact CB-CG 3.99Å; Q55-R103 PolarHBondContact N-O 2.9Å; Q55-R103 PolarHBondContact O-N 3Å; Q55-W115 HydrophobicContact CB-CH2 4.29Å; Q55-W115 HydrophobicContact CB-CZ3 4.36Å; Q55-W115 VanDerWaalsContact CD-CH2 3.46Å; Q55-W115 HydrophobicContact CG-CH2 3.57Å; Q55-W115 HydrophobicContact CG-CZ2 4.23Å; Q55-W115 HydrophobicContact CG-CZ3 4.08Å; Q55-W115 VanDerWaalsContact OE1-CZ2 3.28Å |
| 56 | Y | 97.4 | Very high | 91.1 | Very high | 30 Ų | 30 | 71.7 Ų | 71.7 | 12% | 0.118 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 156 | 178.4 | 81.7 | -70.4 | 0 | 0 | 0 | 112.3 | W73 R74 V76 E92 Y100 Y101 | Y56-W73 WeakPolarHBondContact O-CA 3.4Å; Y56-R74 HydrophobicContact CD1-CB 3.85Å; Y56-R74 HydrophobicContact CE1-CB 3.46Å; Y56-R74 VanDerWaalsContact CE1-CB 3.46Å; Y56-R74 HydrophobicContact CE1-CG 4.43Å; Y56-R74 VanDerWaalsContact CE2-CZ 3.46Å; Y56-R74 VanDerWaalsContact CE2-NH2 3.27Å; Y56-R74 PolarHBondContact N-O 3.47Å; Y56-R74 PolarHBondContact O-N 2.87Å; Y56-R74 PolarHBondContact OH-NH1 2.76Å; Y56-V76 HydrophobicContact CD1-CG2 3.69Å; Y56-V76 HydrophobicContact CE1-CG2 4.31Å; Y56-E92 HydrophobicContact CD1-CB 4.21Å; Y56-E92 HydrophobicContact CD1-CG 4.11Å; Y56-E92 HydrophobicContact CD2-CB 4.01Å; Y56-E92 HydrophobicContact CE1-CB 3.97Å; Y56-E92 HydrophobicContact CE1-CG 3.72Å; Y56-E92 HydrophobicContact CE2-CB 3.74Å; Y56-E92 HydrophobicContact CE2-CG 4.4Å; Y56-E92 WeakPolarHBondContact CE2-O 3.41Å; Y56-E92 HydrophobicContact CG-CB 4.23Å; Y56-Y100 HydrophobicContact CD2-CD1 4.25Å; Y56-Y100 HydrophobicContact CD2-CE1 4.48Å; Y56-Y101 CarbonylContact C-O 3.55Å; Y56-Y101 WeakPolarHBondContact CA-O 3.31Å |
| 57 | A | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 79.8 Ų | 79.8 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 150 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | E71 W73 Y100 Y101 | A57-E71 HydrophobicContact CB-CB 3.94Å; A57-W73 HydrophobicContact CB-CD2 3.94Å; A57-W73 HydrophobicContact CB-CE3 3.88Å; A57-W73 HydrophobicContact CB-CH2 4.2Å; A57-W73 HydrophobicContact CB-CZ2 4.24Å; A57-W73 HydrophobicContact CB-CZ3 4.01Å; A57-Y100 WeakPolarHBondContact O-CA 3.38Å; A57-Y101 PolarHBondContact N-O 2.65Å; A57-Y101 PolarHBondContact O-N 3.06Å |
| 58 | I | 96.1 | Very high | 90.5 | Very high | 23 Ų | 23 | 78 Ų | 78 | 12% | 0.118 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 140.5 | 165.9 | -82.6 | 167.1 | 0 | 0 | 0 | 107.9 | N61 R74 E98 G99 Y100 | I58-N61 HydrophobicContact CB-CB 4.02Å; I58-N61 HydrophobicContact CG2-CB 3.88Å; I58-N61 WeakPolarHBondContact O-CB 3.44Å; I58-N61 PolarHBondContact O-N 2.93Å; I58-R74 VanDerWaalsContact CD1-NH2 3.32Å; I58-E98 HydrophobicContact CG2-CG 4.42Å; I58-E98 WeakPolarHBondContact CG2-OE1 3.49Å; I58-E98 WeakPolarHBondContact CG2-OE2 3.44Å; I58-G99 CarbonylContact C-O 3.49Å; I58-G99 WeakPolarHBondContact CA-O 3.47Å; I58-Y100 HydrophobicContact CD1-CE1 3.89Å; I58-Y100 HydrophobicContact CG1-CD1 3.69Å; I58-Y100 HydrophobicContact CG1-CE1 3.29Å |
| 59 | Y | 93.2 | Very high | 90.3 | Very high | 115 Ų | 115 | 77.4 Ų | 77.4 | 45% | 0.451 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -60.1 | 142.7 | 177.3 | -178.6 | -90 | 0 | 0 | 0 | 110.8 | N61 G99 Y101 R121 | Y59-N61 PolarHBondContact O-N 3.16Å; Y59-G99 WeakPolarHBondContact CB-O 3.48Å; Y59-G99 PolarHBondContact N-O 3.03Å; Y59-Y101 AromaticContact CD2-CE2 3.71Å; Y59-Y101 HydrophobicContact CD2-CE2 3.71Å; Y59-Y101 HydrophobicContact CE2-CE2 4.42Å; Y59-R121 HydrophobicContact CD2-CG 4.38Å |
| 60 | G | 89.5 | Confident | 90.2 | Very high | 59 Ų | 59 | 82.1 Ų | 82.1 | 61% | 0.608 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 71.6 | -30.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S62 | G60-S62 VanDerWaalsContact C-N 3.31Å; G60-S62 PolarHBondContact O-N 3.04Å; G60-S62 PolarHBondContact O-OG 2.94Å |
| 61 | N | 90.5 | Very high | 90 | Very high | 75 Ų | 75 | 84.8 Ų | 84.8 | 40% | 0.401 | 41% | 0.405 | S | S | . | . | trans | -67.9 | 85.1 | 177 | -166.8 | -27.6 | 0 | 0 | 0 | 111.1 | I58 Y59 Y72 | I58-N61 HydrophobicContact CB-CB 4.02Å; I58-N61 HydrophobicContact CG2-CB 3.88Å; I58-N61 WeakPolarHBondContact O-CB 3.44Å; I58-N61 PolarHBondContact O-N 2.93Å; Y59-N61 PolarHBondContact O-N 3.16Å; N61-Y72 PolarHBondContact O-N 2.66Å | ||
| 62 | S | 86.3 | Confident | 89.9 | Confident | 48 Ų | 48 | 86 Ų | 86 | 34% | 0.336 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131 | -172.7 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | G60 R70 | G60-S62 VanDerWaalsContact C-N 3.31Å; G60-S62 PolarHBondContact O-N 3.04Å; G60-S62 PolarHBondContact O-OG 2.94Å; S62-R70 CarbonylContact C-O 3.58Å; S62-R70 VanDerWaalsContact CA-O 3.24Å; S62-R70 WeakPolarHBondContact CA-O 3.42Å |
| 63 | R | 85.3 | Confident | 89.8 | Confident | 164 Ų | 164 | 87.1 Ų | 87.1 | 62% | 0.619 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 136.9 | 175.9 | -144.1 | 174.3 | -159.5 | 175 | 7.5 | 109.2 | R70 | R63-R70 PolarHBondContact N-O 3.36Å; R63-R70 PolarHBondContact O-N 2.95Å; R63-R70 VanDerWaalsContact O-N 3.07Å |
| 64 | K | 83.1 | Confident | 89.7 | Confident | 185 Ų | 185 | 89.3 Ų | 89.3 | 80% | 0.804 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 133.7 | 165 | -67.4 | -176.7 | -179 | 179.9 | 0 | 108.8 | ||
| 65 | V | 86.9 | Confident | 89.6 | Confident | 83 Ų | 83 | 92 Ų | 92 | 50% | 0.503 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 163.1 | 177.7 | -171.3 | 0 | 0 | 0 | 0 | 107.5 | Q67 G68 R70 | V65-Q67 PolarHBondContact O-N 3.44Å; V65-G68 PolarHBondContact N-O 3.2Å; V65-G68 PolarHBondContact O-N 3.06Å; V65-G68 VanDerWaalsContact O-O 3.09Å; V65-R70 HydrophobicContact CG2-CB 4.22Å |
| 66 | R | 81.5 | Confident | 89.5 | Confident | 256 Ų | 256 | 90.2 Ų | 90.2 | 97% | 0.966 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -13.5 | 176.4 | -69 | -174.4 | 176.4 | -174.2 | -1.8 | 114.6 | ||
| 67 | Q | 78.4 | Confident | 89.3 | Confident | 192 Ų | 192 | 95.7 Ų | 95.7 | 90% | 0.897 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.5 | 53.9 | 177.2 | -68.4 | 175.4 | -31.4 | 0 | 0 | 110.5 | V65 | V65-Q67 PolarHBondContact O-N 3.44Š|
| 68 | G | 83.6 | Confident | 89.2 | Confident | 48 Ų | 48 | 101.5 Ų | 101.5 | 50% | 0.495 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 95.4 | -142.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V65 | V65-G68 PolarHBondContact N-O 3.2Å; V65-G68 PolarHBondContact O-N 3.06Å; V65-G68 VanDerWaalsContact O-O 3.09Å |
| 69 | K | 82.3 | Confident | 89.2 | Confident | 156 Ų | 156 | 100.4 Ų | 100.4 | 68% | 0.678 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 148.8 | 176.2 | -71.1 | -179.2 | 178.1 | -179.4 | 0 | 110 | ||
| 70 | R | 84.5 | Confident | 89.3 | Confident | 147 Ų | 147 | 98 Ų | 98 | 56% | 0.555 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 143.9 | 172.5 | -170.3 | 177.7 | -172.1 | 175.9 | 5.4 | 110.2 | S62 R63 V65 | S62-R70 CarbonylContact C-O 3.58Å; S62-R70 VanDerWaalsContact CA-O 3.24Å; S62-R70 WeakPolarHBondContact CA-O 3.42Å; R63-R70 PolarHBondContact N-O 3.36Å; R63-R70 PolarHBondContact O-N 2.95Å; R63-R70 VanDerWaalsContact O-N 3.07Å; V65-R70 HydrophobicContact CG2-CB 4.22Å |
| 71 | E | 88.6 | Confident | 89.6 | Confident | 76 Ų | 76 | 99.6 Ų | 99.6 | 36% | 0.355 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 143.2 | 178.4 | -31.4 | 62 | -114.3 | 0 | 0 | 111.7 | A57 W73 | A57-E71 HydrophobicContact CB-CB 3.94Å; E71-W73 HydrophobicContact CG-CZ2 4.41Å; E71-W73 PolarHBondContact O-N 2.91Å; E71-W73 VanDerWaalsContact O-N 3.12Å; E71-W73 PolarHBondContact OE2-NE1 2.82Å |
| 72 | Y | 93.8 | Very high | 89.9 | Confident | 95 Ų | 95 | 97.1 Ų | 97.1 | 37% | 0.373 | 46% | 0.461 | S | S | . | . | trans | -84.5 | 85 | 176.3 | -175.2 | -121.5 | 0 | 0 | 0 | 111.7 | N61 R74 | N61-Y72 PolarHBondContact O-N 2.66Å; Y72-R74 HydrophobicContact CD1-CG 4.07Å; Y72-R74 HydrophobicContact CE1-CG 3.7Å; Y72-R74 PolarHBondContact O-N 3.29Å | ||
| 73 | W | 94.9 | Very high | 90.3 | Very high | 29 Ų | 29 | 98.4 Ų | 98.4 | 11% | 0.11 | 47% | 0.466 | C | S | . | . | trans | -71.2 | 120.1 | 177.5 | -67.9 | 95.3 | 0 | 0 | 0 | 112.8 | Q55 Y56 A57 E71 R103 E117 | Q55-W73 HydrophobicContact CB-CE3 4.11Å; Y56-W73 WeakPolarHBondContact O-CA 3.4Å; A57-W73 HydrophobicContact CB-CD2 3.94Å; A57-W73 HydrophobicContact CB-CE3 3.88Å; A57-W73 HydrophobicContact CB-CH2 4.2Å; A57-W73 HydrophobicContact CB-CZ2 4.24Å; A57-W73 HydrophobicContact CB-CZ3 4.01Å; E71-W73 HydrophobicContact CG-CZ2 4.41Å; E71-W73 PolarHBondContact O-N 2.91Å; E71-W73 VanDerWaalsContact O-N 3.12Å; E71-W73 PolarHBondContact OE2-NE1 2.82Å; W73-R103 VanDerWaalsContact CB-NH2 3.31Å; W73-R103 HydrophobicContact CD2-CG 4.44Å; W73-R103 VanDerWaalsContact CD2-NH1 3.28Å; W73-R103 HydrophobicContact CE3-CG 3.76Å; W73-R103 VanDerWaalsContact CG-NH1 3.31Å; W73-R103 HydrophobicContact CH2-CB 4.16Å; W73-R103 HydrophobicContact CH2-CG 4.03Å; W73-R103 HydrophobicContact CZ3-CB 4Å; W73-R103 HydrophobicContact CZ3-CG 3.52Å; W73-E117 VanDerWaalsContact CH2-CD 3.43Å; W73-E117 HydrophobicContact CH2-CG 3.85Å; W73-E117 HydrophobicContact CZ2-CG 4.27Å; W73-E117 WeakPolarHBondContact CZ2-OE1 3.45Å; W73-E117 VanDerWaalsContact CZ2-OE2 3.22Å; W73-E117 WeakPolarHBondContact CZ2-OE2 3.2Å | ||
| 74 | R | 95.9 | Very high | 90.8 | Very high | 58 Ų | 58 | 95.3 Ų | 95.3 | 22% | 0.219 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 149.6 | 176.8 | -72.9 | 167.7 | -73.1 | -170.5 | -0.2 | 111.1 | Q55 Y56 I58 Y72 | Q55-R74 WeakPolarHBondContact CA-O 3.42Å; Q55-R74 WeakPolarHBondContact CB-O 3.07Å; Q55-R74 WeakPolarHBondContact CG-O 3.43Å; Y56-R74 HydrophobicContact CD1-CB 3.85Å; Y56-R74 HydrophobicContact CE1-CB 3.46Å; Y56-R74 VanDerWaalsContact CE1-CB 3.46Å; Y56-R74 HydrophobicContact CE1-CG 4.43Å; Y56-R74 VanDerWaalsContact CE2-CZ 3.46Å; Y56-R74 VanDerWaalsContact CE2-NH2 3.27Å; Y56-R74 PolarHBondContact N-O 3.47Å; Y56-R74 PolarHBondContact O-N 2.87Å; Y56-R74 PolarHBondContact OH-NH1 2.76Å; I58-R74 VanDerWaalsContact CD1-NH2 3.32Å; Y72-R74 HydrophobicContact CD1-CG 4.07Å; Y72-R74 HydrophobicContact CE1-CG 3.7Å; Y72-R74 PolarHBondContact O-N 3.29Å |
| 75 | A | 95.9 | Very high | 91.5 | Very high | 55 Ų | 55 | 88.9 Ų | 88.9 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 162.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 76 | V | 96.5 | Very high | 92 | Very high | 1 Ų | 1 | 89.5 Ų | 89.5 | 1% | 0.006 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 106.8 | 173.9 | -177.8 | 0 | 0 | 0 | 0 | 107.1 | Y56 K78 C79 T80 L89 E92 | Y56-V76 HydrophobicContact CD1-CG2 3.69Å; Y56-V76 HydrophobicContact CE1-CG2 4.31Å; V76-K78 PolarHBondContact O-N 2.8Å; V76-C79 HydrophobicContact CB-CB 4.13Å; V76-C79 HydrophobicContact CG1-CB 3.8Å; V76-C79 CarbonylContact O-C 3.55Å; V76-C79 VanDerWaalsContact O-C 3.26Å; V76-C79 WeakPolarHBondContact O-CA 3.46Å; V76-C79 PolarHBondContact O-N 2.91Å; V76-T80 PolarHBondContact O-N 3.2Å; V76-T80 VanDerWaalsContact O-N 3.12Å; V76-T80 PolarHBondContact O-OG1 2.88Å; V76-L89 HydrophobicContact CB-CD2 4.32Å; V76-L89 HydrophobicContact CG1-CD2 3.79Å; V76-L89 HydrophobicContact CG2-CD2 3.73Å; V76-E92 HydrophobicContact CG1-CG 4.48Å; V76-E92 HydrophobicContact CG2-CG 4.29Å |
| 77 | D | 92.8 | Very high | 92.7 | Very high | 144 Ų | 144 | 77.3 Ų | 77.3 | 77% | 0.77 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | -43.1 | -169.2 | -57.9 | -36 | 0 | 0 | 0 | 111.2 | C79 T80 | D77-C79 PolarHBondContact O-N 3.11Å; D77-T80 PolarHBondContact O-N 2.76Å |
| 78 | K | 93.4 | Very high | 93.6 | Very high | 123 Ų | 123 | 69.6 Ų | 69.6 | 54% | 0.535 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | -10.1 | 173 | -64.9 | -179.7 | 179.2 | 177.9 | 0 | 114.1 | V76 R84 | V76-K78 PolarHBondContact O-N 2.8Å; K78-R84 PolarHBondContact O-NH2 2.88Å |
| 79 | C | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 29.4 | -177.3 | -59.5 | 0 | 0 | 0 | 0 | 113.4 | V54 V76 D77 I82 C87 | V54-C79 HydrophobicContact CB-CB 3.91Å; V54-C79 HydrophobicContact CG2-CB 4.05Å; V54-C79 PolarHBondContact N-O 2.87Å; V76-C79 HydrophobicContact CB-CB 4.13Å; V76-C79 HydrophobicContact CG1-CB 3.8Å; V76-C79 CarbonylContact O-C 3.55Å; V76-C79 VanDerWaalsContact O-C 3.26Å; V76-C79 WeakPolarHBondContact O-CA 3.46Å; V76-C79 PolarHBondContact O-N 2.91Å; D77-C79 PolarHBondContact O-N 3.11Å; C79-I82 HydrophobicContact CB-CD1 3.76Å; C79-C87 HydrophobicContact CB-CB 3.81Å; C79-C87 WeakPolarHBondContact CB-SG 3.39Å; C79-C87 VanDerWaalsContact SG-CA 3.57Å; C79-C87 WeakPolarHBondContact SG-CB 3.48Å; C79-C87 CovalentContact SG-SG 2.02Å; C79-C87 PolarHBondContact SG-SG 3.47Å |
| 80 | T | 95.9 | Very high | 94.9 | Very high | 63 Ų | 63 | 59.9 Ų | 59.9 | 39% | 0.387 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.2 | 170.7 | -67.9 | 0 | 0 | 0 | 0 | 109.9 | T53 V76 D77 | T53-T80 HydrophobicContact CG2-CG2 4.37Å; V76-T80 PolarHBondContact O-N 3.2Å; V76-T80 VanDerWaalsContact O-N 3.12Å; V76-T80 PolarHBondContact O-OG1 2.88Å; D77-T80 PolarHBondContact O-N 2.76Å |
| 81 | N | 95.3 | Very high | 95.3 | Very high | 93 Ų | 93 | 55 Ų | 55 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 61 | 39.9 | 179.9 | -160.9 | 38.5 | 0 | 0 | 0 | 114.4 | H51 F52 L107 | H51-N81 VanDerWaalsContact CB-OD1 3.26Å; H51-N81 WeakPolarHBondContact CB-OD1 3.47Å; H51-N81 PolarHBondContact ND1-O 2.04Å; H51-N81 PolarHBondContact ND1-OD1 2.93Å; F52-N81 CarbonylContact O-C 3.55Å; F52-N81 VanDerWaalsContact O-CA 3.29Å; F52-N81 WeakPolarHBondContact O-CA 3.43Å; F52-N81 PolarHBondContact O-N 3.24Å; N81-L107 HydrophobicContact CB-CD1 4.21Å; N81-L107 WeakPolarHBondContact OD1-CD1 3.49Å |
| 82 | I | 96.2 | Very high | 95.6 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 139.1 | -177.4 | 49.9 | 163.3 | 0 | 0 | 0 | 112.4 | W40 H51 F52 C79 R84 | W40-I82 HydrophobicContact CH2-CD1 3.9Å; W40-I82 HydrophobicContact CZ2-CD1 4.25Å; H51-I82 CarbonylContact C-O 3.58Å; H51-I82 WeakPolarHBondContact CA-O 3.5Å; F52-I82 WeakPolarHBondContact CD2-O 3.41Å; F52-I82 PolarHBondContact N-O 2.93Å; F52-I82 PolarHBondContact O-N 2.87Å; C79-I82 HydrophobicContact CB-CD1 3.76Å; I82-R84 HydrophobicContact CB-CG 4.16Å; I82-R84 HydrophobicContact CD1-CG 4.01Å |
| 83 | V | 95.5 | Very high | 95.7 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | trans | -81 | -30 | 176.4 | -177.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 84 | R | 95.9 | Very high | 95.6 | Very high | 100 Ų | 100 | 51.6 Ų | 51.6 | 38% | 0.377 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -61.5 | 146.2 | 177.6 | 60.4 | 170.7 | 179.4 | -134.7 | -7.1 | 111.8 | W40 K78 I82 W86 | W40-R84 VanDerWaalsContact CZ2-O 3.24Å; W40-R84 WeakPolarHBondContact CZ2-O 3.26Å; K78-R84 PolarHBondContact O-NH2 2.88Å; I82-R84 HydrophobicContact CB-CG 4.16Å; I82-R84 HydrophobicContact CD1-CG 4.01Å; R84-W86 VanDerWaalsContact C-N 3.26Å; R84-W86 VanDerWaalsContact CD-O 3.26Å; R84-W86 WeakPolarHBondContact CD-O 3.14Å; R84-W86 WeakPolarHBondContact CG-O 3.33Å; R84-W86 PolarHBondContact NE-O 3.02Å; R84-W86 PolarHBondContact O-N 3.19Å |
| 85 | T | 96.6 | Very high | 95.6 | Very high | 49 Ų | 49 | 52.6 Ų | 52.6 | 30% | 0.301 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -91.8 | 25.7 | -179.5 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | W40 P42 F52 | W40-T85 PolarHBondContact N-O 3.11Å; W40-T85 VanDerWaalsContact N-O 3.13Å; W40-T85 WeakPolarHBondContact O-CB 3.37Å; P42-T85 HydrophobicContact CG-CG2 3.97Å; F52-T85 HydrophobicContact CE2-CG2 4.12Å |
| 86 | W | 97.6 | Very high | 95.4 | Very high | 97 Ų | 97 | 51.4 Ų | 51.4 | 37% | 0.367 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 156.6 | 177.1 | 63.5 | -93.4 | 0 | 0 | 0 | 111.7 | V37 L38 W40 R84 D88 | V37-W86 HydrophobicContact CG1-CB 4.29Å; V37-W86 HydrophobicContact CG1-CE3 4.01Å; L38-W86 CarbonylContact O-C 3.55Å; L38-W86 WeakPolarHBondContact O-CA 3.39Å; W40-W86 VanDerWaalsContact CH2-C 3.47Å; R84-W86 VanDerWaalsContact C-N 3.26Å; R84-W86 VanDerWaalsContact CD-O 3.26Å; R84-W86 WeakPolarHBondContact CD-O 3.14Å; R84-W86 WeakPolarHBondContact CG-O 3.33Å; R84-W86 PolarHBondContact NE-O 3.02Å; R84-W86 PolarHBondContact O-N 3.19Å; W86-D88 HydrophobicContact CZ3-CB 4.42Å |
| 87 | C | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 125.7 | 179.3 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | V37 L38 W40 V54 C79 L89 | V37-C87 CarbonylContact C-O 3.56Å; V37-C87 WeakPolarHBondContact CA-O 3.5Å; V37-C87 WeakPolarHBondContact CG1-O 3.34Å; L38-C87 HydrophobicContact CB-CB 4.42Å; L38-C87 PolarHBondContact N-O 3.2Å; L38-C87 PolarHBondContact O-N 2.83Å; W40-C87 HydrophobicContact CH2-CB 4.03Å; W40-C87 HydrophobicContact CZ3-CB 3.91Å; V54-C87 HydrophobicContact CB-CB 4.5Å; V54-C87 HydrophobicContact CG2-CB 3.89Å; C79-C87 HydrophobicContact CB-CB 3.81Å; C79-C87 WeakPolarHBondContact CB-SG 3.39Å; C79-C87 VanDerWaalsContact SG-CA 3.57Å; C79-C87 WeakPolarHBondContact SG-CB 3.48Å; C79-C87 CovalentContact SG-SG 2.02Å; C79-C87 PolarHBondContact SG-SG 3.47Å; C87-L89 PolarHBondContact O-N 2.8Å; C87-L89 WeakPolarHBondContact SG-CD2 3.38Å |
| 88 | D | 96.6 | Very high | 95.5 | Very high | 29 Ų | 29 | 53.5 Ų | 53.5 | 16% | 0.155 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 120.1 | 169.8 | -155.4 | -48.9 | 0 | 0 | 0 | 108.5 | R35 W86 S90 | R35-D88 IonicContact CZ-OD2 2.67Å; R35-D88 VanDerWaalsContact CZ-OD2 3.24Å; R35-D88 IonicContact NE-OD2 3.11Å; R35-D88 PolarHBondContact NE-OD2 3.49Å; R35-D88 IonicContact NH2-OD2 3.2Å; R35-D88 PolarHBondContact NH2-OD2 2.96Å; W86-D88 HydrophobicContact CZ3-CB 4.42Å; D88-S90 VanDerWaalsContact OD1-CB 3.29Å; D88-S90 WeakPolarHBondContact OD1-CB 3.36Å; D88-S90 PolarHBondContact OD1-N 2.9Å; D88-S90 PolarHBondContact OD1-OG 2.93Å |
| 89 | L | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -114.2 | 16.3 | -178.8 | -67 | -179.8 | 0 | 0 | 0 | 111.8 | F29 N36 L38 V54 V76 C87 A91 E92 T93 A102 | F29-L89 HydrophobicContact CE1-CB 4.3Å; F29-L89 HydrophobicContact CE1-CD1 3.75Å; F29-L89 HydrophobicContact CZ-CD1 3.85Å; N36-L89 CarbonylContact O-C 3.56Å; N36-L89 WeakPolarHBondContact O-CA 3.45Å; N36-L89 PolarHBondContact O-N 3.26Å; L38-L89 HydrophobicContact CB-CD1 3.89Å; L38-L89 HydrophobicContact CB-CG 4.47Å; L38-L89 HydrophobicContact CD2-CD1 4.38Å; V54-L89 HydrophobicContact CG1-CD1 4.34Å; V54-L89 HydrophobicContact CG1-CD2 4.36Å; V76-L89 HydrophobicContact CB-CD2 4.32Å; V76-L89 HydrophobicContact CG1-CD2 3.79Å; V76-L89 HydrophobicContact CG2-CD2 3.73Å; C87-L89 PolarHBondContact O-N 2.8Å; C87-L89 WeakPolarHBondContact SG-CD2 3.38Å; L89-A91 PolarHBondContact O-N 2.81Å; L89-A91 VanDerWaalsContact O-N 3.14Å; L89-E92 WeakPolarHBondContact CA-OE2 3.35Å; L89-E92 HydrophobicContact CD2-CB 4.48Å; L89-E92 HydrophobicContact CD2-CG 4.35Å; L89-E92 PolarHBondContact O-N 2.84Å; L89-E92 VanDerWaalsContact O-N 3.16Å; L89-T93 HydrophobicContact CB-CG2 4.29Å; L89-T93 WeakPolarHBondContact O-CB 3.44Å; L89-T93 PolarHBondContact O-N 2.85Å; L89-T93 PolarHBondContact O-OG1 2.85Å; L89-A102 HydrophobicContact CD1-CB 4.07Å | ||
| 90 | S | 95.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16.7 | -172.4 | -49.8 | 0 | 0 | 0 | 0 | 114.4 | R35 N36 D88 Y154 | R35-S90 WeakPolarHBondContact CA-OG 3.33Å; N36-S90 PolarHBondContact N-OG 3.19Å; N36-S90 PolarHBondContact O-N 3.39Å; D88-S90 VanDerWaalsContact OD1-CB 3.29Å; D88-S90 WeakPolarHBondContact OD1-CB 3.36Å; D88-S90 PolarHBondContact OD1-N 2.9Å; D88-S90 PolarHBondContact OD1-OG 2.93Å; S90-Y154 WeakPolarHBondContact OG-CD1 3.34Å |
| 91 | A | 94 | Very high | 95.7 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 37% | 0.372 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -38.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | L89 T93 W94 P156 | L89-A91 PolarHBondContact O-N 2.81Å; L89-A91 VanDerWaalsContact O-N 3.14Å; A91-T93 VanDerWaalsContact C-N 3.29Å; A91-W94 WeakPolarHBondContact O-CB 3.3Å; A91-P156 HydrophobicContact CB-CB 4.23Å; A91-P156 HydrophobicContact CB-CG 4.33Å |
| 92 | E | 94.9 | Very high | 95.8 | Very high | 37 Ų | 37 | 43.1 Ų | 43.1 | 17% | 0.173 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -26.7 | 176.9 | -66.4 | 73.8 | -166.6 | 0 | 0 | 112.3 | Y56 V76 L89 Y100 | Y56-E92 HydrophobicContact CD1-CB 4.21Å; Y56-E92 HydrophobicContact CD1-CG 4.11Å; Y56-E92 HydrophobicContact CD2-CB 4.01Å; Y56-E92 HydrophobicContact CE1-CB 3.97Å; Y56-E92 HydrophobicContact CE1-CG 3.72Å; Y56-E92 HydrophobicContact CE2-CB 3.74Å; Y56-E92 HydrophobicContact CE2-CG 4.4Å; Y56-E92 WeakPolarHBondContact CE2-O 3.41Å; Y56-E92 HydrophobicContact CG-CB 4.23Å; V76-E92 HydrophobicContact CG1-CG 4.48Å; V76-E92 HydrophobicContact CG2-CG 4.29Å; L89-E92 WeakPolarHBondContact CA-OE2 3.35Å; L89-E92 HydrophobicContact CD2-CB 4.48Å; L89-E92 HydrophobicContact CD2-CG 4.35Å; L89-E92 PolarHBondContact O-N 2.84Å; L89-E92 VanDerWaalsContact O-N 3.16Å; E92-Y100 VanDerWaalsContact O-CE1 3.26Å; E92-Y100 WeakPolarHBondContact O-CE1 3.43Å |
| 93 | T | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 36.4 | 179.1 | 62.4 | 0 | 0 | 0 | 0 | 112.3 | F29 N36 L89 A91 Y100 | F29-T93 HydrophobicContact CE1-CG2 4.39Å; N36-T93 WeakPolarHBondContact CB-OG1 3.4Å; N36-T93 PolarHBondContact ND2-O 3.32Å; N36-T93 PolarHBondContact ND2-OG1 2.83Å; L89-T93 HydrophobicContact CB-CG2 4.29Å; L89-T93 WeakPolarHBondContact O-CB 3.44Å; L89-T93 PolarHBondContact O-N 2.85Å; L89-T93 PolarHBondContact O-OG1 2.85Å; A91-T93 VanDerWaalsContact C-N 3.29Å; T93-Y100 HydrophobicContact CG2-CD1 3.69Å; T93-Y100 HydrophobicContact CG2-CD2 3.97Å; T93-Y100 HydrophobicContact CG2-CE1 3.93Å; T93-Y100 HydrophobicContact CG2-CE2 4.23Å; T93-Y100 HydrophobicContact CG2-CG 3.68Å |
| 94 | W | 93.4 | Very high | 96 | Very high | 90 Ų | 90 | 39.4 Ų | 39.4 | 34% | 0.341 | 18% | 0.184 | S | C | . | . | trans | -76 | -20.8 | -178.5 | -177.5 | -92.2 | 0 | 0 | 0 | 114.1 | A91 E96 R153 P156 | A91-W94 WeakPolarHBondContact O-CB 3.3Å; W94-E96 PolarHBondContact O-N 2.92Å; W94-E96 VanDerWaalsContact O-OE2 3.1Å; W94-R153 HydrophobicContact CH2-CG 4.47Å; W94-R153 HydrophobicContact CZ3-CG 4.49Å; W94-R153 PolarHBondContact O-NH2 3.5Å; W94-P156 HydrophobicContact CE3-CG 4.2Å; W94-P156 VanDerWaalsContact CZ3-CD 3.5Å; W94-P156 HydrophobicContact CZ3-CG 4.16Å | ||
| 95 | D | 94.6 | Very high | 96 | Very high | 79 Ų | 79 | 37.4 Ų | 37.4 | 42% | 0.422 | 18% | 0.176 | S | C | . | . | trans | -85.3 | 111.9 | 173.1 | -168.3 | -38.9 | 0 | 0 | 0 | 108.8 | E97 E98 Y100 | D95-E97 PolarHBondContact OD1-N 2.82Å; D95-E98 HydrophobicContact CB-CB 4.12Å; D95-E98 HydrophobicContact CB-CG 4.24Å; D95-E98 PolarHBondContact OD1-N 3.2Å; D95-Y100 PolarHBondContact N-OH 2.85Å; D95-Y100 WeakPolarHBondContact O-CE2 3.5Å; D95-Y100 PolarHBondContact O-OH 3.43Å | ||
| 96 | E | 93.6 | Very high | 96 | Very high | 30 Ų | 30 | 35 Ų | 35 | 14% | 0.14 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -76.9 | -17.5 | -176.6 | 58.5 | -98.1 | -133.5 | 0 | 0 | 114.7 | L34 W94 P124 K125 R153 I168 | L34-E96 HydrophobicContact CD1-CB 4.3Å; L34-E96 HydrophobicContact CD2-CB 4.28Å; W94-E96 PolarHBondContact O-N 2.92Å; W94-E96 VanDerWaalsContact O-OE2 3.1Å; E96-P124 HydrophobicContact CB-CB 4.34Å; E96-K125 HydrophobicContact CB-CB 4.11Å; E96-K125 HydrophobicContact CG-CD 4.45Å; E96-K125 WeakPolarHBondContact O-CB 3.34Å; E96-K125 PolarHBondContact O-N 2.83Å; E96-R153 IonicContact OE1-CZ 2.76Å; E96-R153 IonicContact OE1-NH1 2.64Å; E96-R153 PolarHBondContact OE1-NH1 3.46Å; E96-R153 IonicContact OE2-CZ 3.7Å; E96-R153 VanDerWaalsContact OE2-CZ 3.28Å; E96-R153 IonicContact OE2-NH1 2.69Å; E96-R153 PolarHBondContact OE2-NH1 2.77Å; E96-R153 IonicContact OE2-NH2 2.65Å; E96-R153 PolarHBondContact OE2-NH2 3.46Å; E96-I168 HydrophobicContact CG-CG2 4.1Å; E96-I168 WeakPolarHBondContact OE1-CG2 3.33Å |
| 97 | E | 94.3 | Very high | 95.9 | Very high | 120 Ų | 120 | 31.6 Ų | 31.6 | 56% | 0.561 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -81.4 | -23.7 | 175.3 | -47.7 | -59.1 | 157.6 | 0 | 0 | 111.8 | D95 K125 | D95-E97 PolarHBondContact OD1-N 2.82Å; E97-K125 IonicContact OE1-NZ 2.6Å; E97-K125 PolarHBondContact OE1-NZ 3.4Å; E97-K125 VanDerWaalsContact OE2-CD 3.3Å; E97-K125 WeakPolarHBondContact OE2-CD 3.37Å; E97-K125 IonicContact OE2-NZ 2.78Å; E97-K125 PolarHBondContact OE2-NZ 2.99Å |
| 98 | E | 96.3 | Very high | 95.3 | Very high | 70 Ų | 70 | 33 Ų | 33 | 33% | 0.327 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -77.6 | 146.6 | -179.4 | -85 | -74.5 | -156.1 | 0 | 0 | 113.7 | I58 D95 Y100 P124 | I58-E98 HydrophobicContact CG2-CG 4.42Å; I58-E98 WeakPolarHBondContact CG2-OE1 3.49Å; I58-E98 WeakPolarHBondContact CG2-OE2 3.44Å; D95-E98 HydrophobicContact CB-CB 4.12Å; D95-E98 HydrophobicContact CB-CG 4.24Å; D95-E98 PolarHBondContact OD1-N 3.2Å; E98-Y100 HydrophobicContact CB-CE2 3.85Å; E98-Y100 WeakPolarHBondContact O-CD2 3.44Å; E98-Y100 VanDerWaalsContact O-CE2 3.25Å; E98-Y100 WeakPolarHBondContact O-CE2 3.39Å; E98-P124 VanDerWaalsContact O-CD 3.31Å; E98-P124 WeakPolarHBondContact O-CD 3.49Å |
| 99 | G | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -92.3 | 146.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I58 Y59 D123 | I58-G99 CarbonylContact C-O 3.49Å; I58-G99 WeakPolarHBondContact CA-O 3.47Å; Y59-G99 WeakPolarHBondContact CB-O 3.48Å; Y59-G99 PolarHBondContact N-O 3.03Å; G99-D123 WeakPolarHBondContact CA-OD1 3.4Å | ||
| 100 | Y | 97.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 150.6 | -176.9 | -63.6 | -87.6 | 0 | 0 | 0 | 113.8 | Y56 A57 I58 E92 T93 D95 E98 F122 P124 | Y56-Y100 HydrophobicContact CD2-CD1 4.25Å; Y56-Y100 HydrophobicContact CD2-CE1 4.48Å; A57-Y100 WeakPolarHBondContact O-CA 3.38Å; I58-Y100 HydrophobicContact CD1-CE1 3.89Å; I58-Y100 HydrophobicContact CG1-CD1 3.69Å; I58-Y100 HydrophobicContact CG1-CE1 3.29Å; E92-Y100 VanDerWaalsContact O-CE1 3.26Å; E92-Y100 WeakPolarHBondContact O-CE1 3.43Å; T93-Y100 HydrophobicContact CG2-CD1 3.69Å; T93-Y100 HydrophobicContact CG2-CD2 3.97Å; T93-Y100 HydrophobicContact CG2-CE1 3.93Å; T93-Y100 HydrophobicContact CG2-CE2 4.23Å; T93-Y100 HydrophobicContact CG2-CG 3.68Å; D95-Y100 PolarHBondContact N-OH 2.85Å; D95-Y100 WeakPolarHBondContact O-CE2 3.5Å; D95-Y100 PolarHBondContact O-OH 3.43Å; E98-Y100 HydrophobicContact CB-CE2 3.85Å; E98-Y100 WeakPolarHBondContact O-CD2 3.44Å; E98-Y100 VanDerWaalsContact O-CE2 3.25Å; E98-Y100 WeakPolarHBondContact O-CE2 3.39Å; Y100-F122 PolarHBondContact N-O 2.88Å; Y100-F122 PolarHBondContact O-N 2.99Å; Y100-P124 HydrophobicContact CD2-CG 3.94Å; Y100-P124 HydrophobicContact CE2-CG 3.92Å |
| 101 | Y | 96.9 | Very high | 93.4 | Very high | 56 Ų | 56 | 54.1 Ų | 54.1 | 22% | 0.22 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 149.5 | 161.4 | -65 | -75.6 | 0 | 0 | 0 | 109.4 | Y56 A57 Y59 R121 | Y56-Y101 CarbonylContact C-O 3.55Å; Y56-Y101 WeakPolarHBondContact CA-O 3.31Å; A57-Y101 PolarHBondContact N-O 2.65Å; A57-Y101 PolarHBondContact O-N 3.06Å; Y59-Y101 AromaticContact CD2-CE2 3.71Å; Y59-Y101 HydrophobicContact CD2-CE2 3.71Å; Y59-Y101 HydrophobicContact CE2-CE2 4.42Å; Y101-R121 HydrophobicContact CE1-CB 3.98Å; Y101-R121 VanDerWaalsContact CE1-N 3.34Å |
| 102 | A | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 151.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F29 L38 Q55 L89 E117 T118 | F29-A102 HydrophobicContact CE2-CB 3.69Å; F29-A102 HydrophobicContact CZ-CB 3.67Å; L38-A102 HydrophobicContact CD1-CB 3.74Å; L38-A102 HydrophobicContact CD2-CB 3.82Å; L38-A102 HydrophobicContact CG-CB 4.38Å; Q55-A102 CarbonylContact O-C 3.26Å; Q55-A102 WeakPolarHBondContact O-CA 3.08Å; L89-A102 HydrophobicContact CD1-CB 4.07Å; A102-E117 CarbonylContact O-C 3.58Å; A102-E117 WeakPolarHBondContact O-CA 3.32Å; A102-T118 HydrophobicContact CB-CG2 4.14Å; A102-T118 PolarHBondContact N-OG1 2.88Å; A102-T118 VanDerWaalsContact N-OG1 3.14Å; A102-T118 PolarHBondContact O-N 2.83Å; A102-T118 PolarHBondContact O-OG1 2.82Å |
| 103 | R | 97.3 | Very high | 93.3 | Very high | 21 Ų | 21 | 56 Ų | 56 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150.6 | 176.9 | 69.7 | -177.5 | -170 | -153.6 | -7.9 | 112.2 | V54 Q55 W73 W115 T116 E117 | V54-R103 CarbonylContact C-O 3.43Å; V54-R103 WeakPolarHBondContact CA-O 3.49Å; Q55-R103 HydrophobicContact CB-CG 3.99Å; Q55-R103 PolarHBondContact N-O 2.9Å; Q55-R103 PolarHBondContact O-N 3Å; W73-R103 VanDerWaalsContact CB-NH2 3.31Å; W73-R103 HydrophobicContact CD2-CG 4.44Å; W73-R103 VanDerWaalsContact CD2-NH1 3.28Å; W73-R103 HydrophobicContact CE3-CG 3.76Å; W73-R103 VanDerWaalsContact CG-NH1 3.31Å; W73-R103 HydrophobicContact CH2-CB 4.16Å; W73-R103 HydrophobicContact CH2-CG 4.03Å; W73-R103 HydrophobicContact CZ3-CB 4Å; W73-R103 HydrophobicContact CZ3-CG 3.52Å; R103-W115 HydrophobicContact CB-CE3 4.2Å; R103-W115 HydrophobicContact CG-CD2 4.05Å; R103-W115 HydrophobicContact CG-CE3 3.57Å; R103-W115 HydrophobicContact CG-CZ3 4.03Å; R103-T116 CarbonylContact C-O 3.6Å; R103-T116 WeakPolarHBondContact CA-O 3.47Å; R103-T116 WeakPolarHBondContact CB-O 3.23Å; R103-E117 HydrophobicContact CB-CB 4.1Å; R103-E117 HydrophobicContact CB-CG 4.14Å |
| 104 | V | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149.4 | -178.8 | 59.1 | 0 | 0 | 0 | 0 | 110.8 | P24 V27 W40 F52 T53 V54 T116 | P24-V104 HydrophobicContact CB-CG1 3.85Å; P24-V104 HydrophobicContact CG-CG1 3.99Å; P24-V104 HydrophobicContact CG-CG2 4.29Å; V27-V104 HydrophobicContact CB-CG1 4.48Å; V27-V104 HydrophobicContact CG1-CG1 4.03Å; V27-V104 HydrophobicContact CG2-CG1 3.56Å; W40-V104 HydrophobicContact CB-CG1 4.13Å; W40-V104 HydrophobicContact CD2-CB 4.35Å; W40-V104 HydrophobicContact CD2-CG1 4.03Å; W40-V104 HydrophobicContact CD2-CG2 3.94Å; W40-V104 HydrophobicContact CE3-CB 4.47Å; W40-V104 HydrophobicContact CE3-CG1 4.33Å; W40-V104 HydrophobicContact CE3-CG2 4.34Å; W40-V104 HydrophobicContact CG-CG1 3.95Å; W40-V104 HydrophobicContact CG-CG2 4.4Å; W40-V104 HydrophobicContact CH2-CG2 4.39Å; W40-V104 HydrophobicContact CZ2-CG2 3.95Å; F52-V104 HydrophobicContact CB-CG2 3.95Å; F52-V104 HydrophobicContact CD1-CG2 4.22Å; F52-V104 HydrophobicContact CG-CG2 4.42Å; T53-V104 WeakPolarHBondContact O-CA 3.49Å; V54-V104 HydrophobicContact CG2-CB 4.3Å; V54-V104 HydrophobicContact CG2-CG2 4.12Å; V104-T116 PolarHBondContact N-O 3.01Å; V104-T116 PolarHBondContact O-N 2.69Å |
| 105 | R | 96.6 | Very high | 93.4 | Very high | 57 Ų | 57 | 63.5 Ų | 63.5 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 149.7 | 172.1 | 68.9 | -179.7 | -176.6 | 175.1 | 1.3 | 110.6 | F52 T53 L107 S113 W115 | F52-R105 VanDerWaalsContact CA-O 3.28Å; F52-R105 WeakPolarHBondContact CA-O 3.34Å; T53-R105 PolarHBondContact N-O 3.46Å; T53-R105 VanDerWaalsContact N-O 3.1Å; T53-R105 PolarHBondContact O-N 3.01Å; T53-R105 VanDerWaalsContact O-N 3.16Å; R105-L107 HydrophobicContact CG-CD2 4.13Å; R105-S113 WeakPolarHBondContact CA-OG 3.49Å; R105-S113 WeakPolarHBondContact CB-OG 3.42Å; R105-W115 HydrophobicContact CB-CD2 4.09Å; R105-W115 HydrophobicContact CB-CE3 3.7Å; R105-W115 HydrophobicContact CB-CZ3 4.02Å; R105-W115 HydrophobicContact CG-CD2 4.23Å; R105-W115 HydrophobicContact CG-CE3 3.81Å; R105-W115 HydrophobicContact CG-CH2 3.83Å; R105-W115 HydrophobicContact CG-CZ2 4.25Å; R105-W115 HydrophobicContact CG-CZ3 3.62Å |
| 106 | A | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 146.9 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | P21 T50 F52 S113 | P21-A106 HydrophobicContact CB-CB 3.96Å; P21-A106 HydrophobicContact CG-CB 3.92Å; T50-A106 HydrophobicContact CG2-CB 3.88Å; F52-A106 HydrophobicContact CD1-CB 4.07Å; F52-A106 HydrophobicContact CE1-CB 3.89Å; A106-S113 PolarHBondContact N-OG 2.64Å; A106-S113 PolarHBondContact O-N 2.79Å |
| 107 | L | 94.3 | Very high | 93.7 | Very high | 25 Ų | 25 | 62.4 Ų | 62.4 | 13% | 0.131 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 115.7 | 179.3 | -46 | 179.3 | 0 | 0 | 0 | 109.1 | H51 N81 R105 F112 | H51-L107 HydrophobicContact CB-CB 4.3Å; H51-L107 HydrophobicContact CB-CD1 4.04Å; H51-L107 HydrophobicContact CB-CG 4.45Å; H51-L107 WeakPolarHBondContact O-CB 3.15Å; H51-L107 WeakPolarHBondContact O-CG 3.17Å; H51-L107 PolarHBondContact O-N 3.45Å; N81-L107 HydrophobicContact CB-CD1 4.21Å; N81-L107 WeakPolarHBondContact OD1-CD1 3.49Å; R105-L107 HydrophobicContact CG-CD2 4.13Å; L107-F112 HydrophobicContact CB-CD1 4.34Å; L107-F112 HydrophobicContact CD2-CD1 3.47Å; L107-F112 VanDerWaalsContact CD2-CD1 3.47Å; L107-F112 HydrophobicContact CD2-CE1 3.85Å; L107-F112 HydrophobicContact CD2-CG 4.46Å; L107-F112 HydrophobicContact CG-CD1 4.49Å |
| 108 | G | 85.1 | Confident | 93.8 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 167.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K110 S111 | G108-K110 PolarHBondContact O-N 2.82Å; G108-S111 CarbonylContact C-O 3.58Å; G108-S111 VanDerWaalsContact CA-O 3.25Å; G108-S111 WeakPolarHBondContact CA-O 3.4Å; G108-S111 PolarHBondContact N-O 2.76Å; G108-S111 PolarHBondContact O-N 2.9Å |
| 109 | R | 79.9 | Confident | 93.6 | Very high | 258 Ų | 258 | 61.5 Ų | 61.5 | 97% | 0.974 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.1 | -169.9 | -62.7 | -173.6 | -179 | -146.8 | 0.5 | 115.4 | ||
| 110 | K | 82.4 | Confident | 93.5 | Very high | 193 Ų | 193 | 67.1 Ų | 67.1 | 84% | 0.839 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.7 | 11.6 | 178 | -62.3 | -172.5 | 179 | -177.8 | 0 | 113.4 | G108 | G108-K110 PolarHBondContact O-N 2.82Š|
| 111 | S | 87.6 | Confident | 93.4 | Very high | 23 Ų | 23 | 70.4 Ų | 70.4 | 16% | 0.161 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 150.5 | -166.7 | 53 | 0 | 0 | 0 | 0 | 110.9 | S19 G108 | S19-S111 PolarHBondContact O-OG 2.8Å; G108-S111 CarbonylContact C-O 3.58Å; G108-S111 VanDerWaalsContact CA-O 3.25Å; G108-S111 WeakPolarHBondContact CA-O 3.4Å; G108-S111 PolarHBondContact N-O 2.76Å; G108-S111 PolarHBondContact O-N 2.9Å |
| 112 | F | 92.1 | Very high | 93.4 | Very high | 113 Ų | 113 | 68 Ų | 68 | 50% | 0.496 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 153 | 175.9 | -50.5 | -59.8 | 0 | 0 | 0 | 110.3 | S20 L107 | S20-F112 PolarHBondContact OG-O 3.37Å; L107-F112 HydrophobicContact CB-CD1 4.34Å; L107-F112 HydrophobicContact CD2-CD1 3.47Å; L107-F112 VanDerWaalsContact CD2-CD1 3.47Å; L107-F112 HydrophobicContact CD2-CE1 3.85Å; L107-F112 HydrophobicContact CD2-CG 4.46Å; L107-F112 HydrophobicContact CG-CD1 4.49Å |
| 113 | S | 94.3 | Very high | 93.3 | Very high | 8 Ų | 8 | 69.9 Ų | 69.9 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 164.1 | 168.7 | 79.4 | 0 | 0 | 0 | 0 | 110.7 | S20 P21 R105 A106 | S20-S113 WeakPolarHBondContact OG-CA 3.46Å; P21-S113 WeakPolarHBondContact O-CB 3.36Å; R105-S113 WeakPolarHBondContact CA-OG 3.49Å; R105-S113 WeakPolarHBondContact CB-OG 3.42Å; A106-S113 PolarHBondContact N-OG 2.64Å; A106-S113 PolarHBondContact O-N 2.79Å |
| 114 | K | 94.5 | Very high | 93.2 | Very high | 173 Ų | 173 | 68.9 Ų | 68.9 | 75% | 0.752 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -57 | 145.5 | 156.5 | -67.5 | -174.8 | 179.4 | -178.3 | 0 | 108.9 | ||
| 115 | W | 96.4 | Very high | 93 | Very high | 75 Ų | 75 | 71.2 Ų | 71.2 | 28% | 0.284 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 141.9 | 169.2 | -68.8 | 108.3 | 0 | 0 | 0 | 110.1 | T53 Q55 R103 R105 | T53-W115 HydrophobicContact CG2-CH2 4.25Å; T53-W115 WeakPolarHBondContact O-CZ3 3.48Å; Q55-W115 HydrophobicContact CB-CH2 4.29Å; Q55-W115 HydrophobicContact CB-CZ3 4.36Å; Q55-W115 VanDerWaalsContact CD-CH2 3.46Å; Q55-W115 HydrophobicContact CG-CH2 3.57Å; Q55-W115 HydrophobicContact CG-CZ2 4.23Å; Q55-W115 HydrophobicContact CG-CZ3 4.08Å; Q55-W115 VanDerWaalsContact OE1-CZ2 3.28Å; R103-W115 HydrophobicContact CB-CE3 4.2Å; R103-W115 HydrophobicContact CG-CD2 4.05Å; R103-W115 HydrophobicContact CG-CE3 3.57Å; R103-W115 HydrophobicContact CG-CZ3 4.03Å; R105-W115 HydrophobicContact CB-CD2 4.09Å; R105-W115 HydrophobicContact CB-CE3 3.7Å; R105-W115 HydrophobicContact CB-CZ3 4.02Å; R105-W115 HydrophobicContact CG-CD2 4.23Å; R105-W115 HydrophobicContact CG-CE3 3.81Å; R105-W115 HydrophobicContact CG-CH2 3.83Å; R105-W115 HydrophobicContact CG-CZ2 4.25Å; R105-W115 HydrophobicContact CG-CZ3 3.62Å |
| 116 | T | 97.3 | Very high | 92.8 | Very high | 17 Ų | 17 | 71.3 Ų | 71.3 | 10% | 0.104 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 128.5 | 165 | -53.6 | 0 | 0 | 0 | 0 | 108 | P24 V27 R103 V104 | P24-T116 WeakPolarHBondContact O-CG2 3.4Å; P24-T116 PolarHBondContact O-OG1 2.72Å; P24-T116 VanDerWaalsContact O-OG1 3.07Å; V27-T116 HydrophobicContact CG2-CG2 3.62Å; R103-T116 CarbonylContact C-O 3.6Å; R103-T116 WeakPolarHBondContact CA-O 3.47Å; R103-T116 WeakPolarHBondContact CB-O 3.23Å; V104-T116 PolarHBondContact N-O 3.01Å; V104-T116 PolarHBondContact O-N 2.69Å |
| 117 | E | 96.1 | Very high | 92.7 | Very high | 69 Ų | 69 | 74.4 Ų | 74.4 | 32% | 0.322 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 158 | -171.8 | -164.2 | 160.4 | 140.7 | 0 | 0 | 110.3 | W73 A102 R103 N119 | W73-E117 VanDerWaalsContact CH2-CD 3.43Å; W73-E117 HydrophobicContact CH2-CG 3.85Å; W73-E117 HydrophobicContact CZ2-CG 4.27Å; W73-E117 WeakPolarHBondContact CZ2-OE1 3.45Å; W73-E117 VanDerWaalsContact CZ2-OE2 3.22Å; W73-E117 WeakPolarHBondContact CZ2-OE2 3.2Å; A102-E117 CarbonylContact O-C 3.58Å; A102-E117 WeakPolarHBondContact O-CA 3.32Å; R103-E117 HydrophobicContact CB-CB 4.1Å; R103-E117 HydrophobicContact CB-CG 4.14Å; E117-N119 PolarHBondContact O-N 3Å |
| 118 | T | 96.5 | Very high | 92.8 | Very high | 10 Ų | 10 | 73.3 Ų | 73.3 | 6% | 0.061 | 34% | 0.341 | C | S | . | . | trans | -59.7 | 122.8 | 168.7 | 44 | 0 | 0 | 0 | 0 | 109.9 | V27 F29 L38 A102 K120 | V27-T118 HydrophobicContact CG1-CG2 3.98Å; F29-T118 HydrophobicContact CD2-CG2 3.89Å; F29-T118 HydrophobicContact CE2-CG2 3.9Å; L38-T118 HydrophobicContact CD1-CG2 3.77Å; A102-T118 HydrophobicContact CB-CG2 4.14Å; A102-T118 PolarHBondContact N-OG1 2.88Å; A102-T118 VanDerWaalsContact N-OG1 3.14Å; A102-T118 PolarHBondContact O-N 2.83Å; A102-T118 PolarHBondContact O-OG1 2.82Å; T118-K120 PolarHBondContact O-N 2.82Å; T118-K120 PolarHBondContact OG1-O 2.84Å | ||
| 119 | N | 91.9 | Very high | 93.3 | Very high | 161 Ų | 161 | 74.1 Ų | 74.1 | 86% | 0.861 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -58.6 | -14.5 | -175.5 | -68.4 | -13.6 | 0 | 0 | 0 | 114.9 | E117 | E117-N119 PolarHBondContact O-N 3Š|
| 120 | K | 94.3 | Very high | 94 | Very high | 118 Ų | 118 | 61.9 Ų | 61.9 | 51% | 0.513 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -144 | 165.4 | 177.6 | 59.7 | 159.3 | -174.2 | 150.6 | 0 | 110.7 | T118 E127 | T118-K120 PolarHBondContact O-N 2.82Å; T118-K120 PolarHBondContact OG1-O 2.84Å; K120-E127 IonicContact NZ-OE1 2.71Å; K120-E127 PolarHBondContact NZ-OE1 3.3Å; K120-E127 IonicContact NZ-OE2 2.74Å; K120-E127 PolarHBondContact NZ-OE2 2.96Å |
| 121 | R | 95.3 | Very high | 94.6 | Very high | 74 Ų | 74 | 52.8 Ų | 52.8 | 28% | 0.279 | 25% | 0.253 | S | S | . | . | trans | -59 | 142.3 | 163.6 | 175.8 | 179.5 | 161.5 | 153.6 | 0.3 | 108.8 | Y59 Y101 D123 | Y59-R121 HydrophobicContact CD2-CG 4.38Å; Y101-R121 HydrophobicContact CE1-CB 3.98Å; Y101-R121 VanDerWaalsContact CE1-N 3.34Å; R121-D123 WeakPolarHBondContact CD-OD2 3.39Å; R121-D123 IonicContact CZ-OD1 2.98Å; R121-D123 IonicContact CZ-OD2 3.71Å; R121-D123 IonicContact NE-OD1 3.94Å; R121-D123 PolarHBondContact NE-OD1 2.69Å; R121-D123 IonicContact NE-OD2 2.63Å; R121-D123 PolarHBondContact NE-OD2 2.95Å; R121-D123 IonicContact NH2-OD1 3.81Å; R121-D123 PolarHBondContact NH2-OD1 2.85Å; R121-D123 IonicContact NH2-OD2 2.72Å | ||
| 122 | F | 97 | Very high | 95 | Very high | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -109.5 | 130 | 170.7 | 168.6 | -111.9 | 0 | 0 | 0 | 109.2 | F29 N36 Y100 P124 E127 | F29-F122 HydrophobicContact CB-CB 4.48Å; F29-F122 HydrophobicContact CB-CD1 4.28Å; F29-F122 HydrophobicContact CB-CD2 3.59Å; F29-F122 HydrophobicContact CB-CE1 4.47Å; F29-F122 HydrophobicContact CB-CE2 3.8Å; F29-F122 HydrophobicContact CB-CG 3.86Å; F29-F122 HydrophobicContact CB-CZ 4.25Å; F29-F122 AromaticContact CD1-CD1 3.7Å; F29-F122 HydrophobicContact CD1-CD1 3.7Å; F29-F122 AromaticContact CD1-CE1 3.76Å; F29-F122 HydrophobicContact CD1-CE1 3.76Å; F29-F122 HydrophobicContact CD1-CG 4.1Å; F29-F122 HydrophobicContact CD1-CZ 4.21Å; F29-F122 HydrophobicContact CD2-CB 3.43Å; F29-F122 VanDerWaalsContact CD2-CB 3.43Å; F29-F122 AromaticContact CD2-CD1 3.77Å; F29-F122 HydrophobicContact CD2-CD1 3.77Å; F29-F122 HydrophobicContact CD2-CD2 4.12Å; F29-F122 AromaticContact CD2-CG 3.49Å; F29-F122 HydrophobicContact CD2-CG 3.49Å; F29-F122 VanDerWaalsContact CD2-CG 3.49Å; F29-F122 AromaticContact CE1-CD1 3.79Å; F29-F122 HydrophobicContact CE1-CD1 3.79Å; F29-F122 HydrophobicContact CE1-CE1 4.01Å; F29-F122 HydrophobicContact CE1-CG 4.49Å; F29-F122 HydrophobicContact CE2-CB 3.71Å; F29-F122 AromaticContact CE2-CD1 3.86Å; F29-F122 HydrophobicContact CE2-CD1 3.86Å; F29-F122 AromaticContact CE2-CG 3.94Å; F29-F122 HydrophobicContact CE2-CG 3.94Å; F29-F122 HydrophobicContact CG-CB 4.05Å; F29-F122 AromaticContact CG-CD1 3.67Å; F29-F122 HydrophobicContact CG-CD1 3.67Å; F29-F122 AromaticContact CG-CD2 3.86Å; F29-F122 HydrophobicContact CG-CD2 3.86Å; F29-F122 HydrophobicContact CG-CE1 4.06Å; F29-F122 HydrophobicContact CG-CE2 4.23Å; F29-F122 AromaticContact CG-CG 3.57Å; F29-F122 HydrophobicContact CG-CG 3.57Å; F29-F122 HydrophobicContact CG-CZ 4.33Å; F29-F122 AromaticContact CZ-CD1 3.87Å; F29-F122 HydrophobicContact CZ-CD1 3.87Å; F29-F122 HydrophobicContact CZ-CG 4.41Å; N36-F122 HydrophobicContact CB-CE1 3.96Å; N36-F122 HydrophobicContact CB-CZ 4.14Å; Y100-F122 PolarHBondContact N-O 2.88Å; Y100-F122 PolarHBondContact O-N 2.99Å; F122-P124 HydrophobicContact CD1-CG 4.38Å; F122-P124 HydrophobicContact CE1-CB 4.29Å; F122-P124 HydrophobicContact CE1-CG 3.81Å; F122-P124 HydrophobicContact CZ-CB 4.33Å; F122-P124 HydrophobicContact CZ-CG 4.31Å; F122-E127 HydrophobicContact CD2-CB 4.04Å; F122-E127 HydrophobicContact CD2-CG 4.34Å; F122-E127 HydrophobicContact CE2-CB 3.72Å |
| 123 | D | 96.1 | Very high | 95.1 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 20% | 0.203 | 24% | 0.243 | C | C | . | . | trans | -122.5 | 102.2 | -176.6 | -75.8 | -56.4 | 0 | 0 | 0 | 109.8 | G99 R121 K125 S126 E127 | G99-D123 WeakPolarHBondContact CA-OD1 3.4Å; R121-D123 WeakPolarHBondContact CD-OD2 3.39Å; R121-D123 IonicContact CZ-OD1 2.98Å; R121-D123 IonicContact CZ-OD2 3.71Å; R121-D123 IonicContact NE-OD1 3.94Å; R121-D123 PolarHBondContact NE-OD1 2.69Å; R121-D123 IonicContact NE-OD2 2.63Å; R121-D123 PolarHBondContact NE-OD2 2.95Å; R121-D123 IonicContact NH2-OD1 3.81Å; R121-D123 PolarHBondContact NH2-OD1 2.85Å; R121-D123 IonicContact NH2-OD2 2.72Å; D123-K125 VanDerWaalsContact C-N 3.29Å; D123-K125 PolarHBondContact O-N 2.9Å; D123-S126 VanDerWaalsContact CB-OG 3.24Å; D123-S126 WeakPolarHBondContact CB-OG 3.09Å; D123-S126 PolarHBondContact O-N 2.88Å; D123-S126 VanDerWaalsContact O-N 3.11Å; D123-S126 PolarHBondContact O-OG 2.82Å; D123-E127 WeakPolarHBondContact O-CB 3.31Å; D123-E127 PolarHBondContact O-N 3.1Å | ||
| 124 | P | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.3 | -42.6 | -168.9 | -24 | 31.8 | 0 | 0 | 0 | 113 | L34 E96 E98 Y100 F122 S126 T128 | L34-P124 HydrophobicContact CD2-CB 3.6Å; L34-P124 WeakPolarHBondContact CD2-O 3.47Å; E96-P124 HydrophobicContact CB-CB 4.34Å; E98-P124 VanDerWaalsContact O-CD 3.31Å; E98-P124 WeakPolarHBondContact O-CD 3.49Å; Y100-P124 HydrophobicContact CD2-CG 3.94Å; Y100-P124 HydrophobicContact CE2-CG 3.92Å; F122-P124 HydrophobicContact CD1-CG 4.38Å; F122-P124 HydrophobicContact CE1-CB 4.29Å; F122-P124 HydrophobicContact CE1-CG 3.81Å; F122-P124 HydrophobicContact CZ-CB 4.33Å; F122-P124 HydrophobicContact CZ-CG 4.31Å; P124-S126 VanDerWaalsContact C-N 3.32Å; P124-S126 PolarHBondContact O-N 3.09Å; P124-T128 VanDerWaalsContact O-CB 3.31Å; P124-T128 WeakPolarHBondContact O-CB 3.19Å; P124-T128 VanDerWaalsContact O-CG2 3.28Å; P124-T128 WeakPolarHBondContact O-CG2 3.09Å; P124-T128 PolarHBondContact O-N 2.88Å |
| 125 | K | 93.3 | Very high | 95.2 | Very high | 50 Ų | 50 | 47.5 Ų | 47.5 | 22% | 0.217 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.9 | -24.2 | -177.9 | -171.4 | 168.8 | 177.4 | 179.1 | 0 | 114.8 | E96 E97 D123 Y169 | E96-K125 HydrophobicContact CB-CB 4.11Å; E96-K125 HydrophobicContact CG-CD 4.45Å; E96-K125 WeakPolarHBondContact O-CB 3.34Å; E96-K125 PolarHBondContact O-N 2.83Å; E97-K125 IonicContact OE1-NZ 2.6Å; E97-K125 PolarHBondContact OE1-NZ 3.4Å; E97-K125 VanDerWaalsContact OE2-CD 3.3Å; E97-K125 WeakPolarHBondContact OE2-CD 3.37Å; E97-K125 IonicContact OE2-NZ 2.78Å; E97-K125 PolarHBondContact OE2-NZ 2.99Å; D123-K125 VanDerWaalsContact C-N 3.29Å; D123-K125 PolarHBondContact O-N 2.9Å; K125-Y169 VanDerWaalsContact CA-OH 3.28Å; K125-Y169 WeakPolarHBondContact CA-OH 3.49Å; K125-Y169 HydrophobicContact CG-CE1 4.01Å; K125-Y169 PolarHBondContact O-OH 2.65Å |
| 126 | S | 93.4 | Very high | 95.2 | Very high | 59 Ų | 59 | 46.5 Ų | 46.5 | 41% | 0.413 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -105.5 | -17 | -179.8 | 70.2 | 0 | 0 | 0 | 0 | 113.7 | D123 P124 L222 | D123-S126 VanDerWaalsContact CB-OG 3.24Å; D123-S126 WeakPolarHBondContact CB-OG 3.09Å; D123-S126 PolarHBondContact O-N 2.88Å; D123-S126 VanDerWaalsContact O-N 3.11Å; D123-S126 PolarHBondContact O-OG 2.82Å; P124-S126 VanDerWaalsContact C-N 3.32Å; P124-S126 PolarHBondContact O-N 3.09Å; S126-L222 WeakPolarHBondContact O-CD2 3.42Å |
| 127 | E | 94.1 | Very high | 95.1 | Very high | 65 Ų | 65 | 46.5 Ų | 46.5 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -108.8 | -14.7 | -177.8 | -64.5 | -150.2 | -126 | 0 | 0 | 115.2 | K120 F122 D123 I129 | K120-E127 IonicContact NZ-OE1 2.71Å; K120-E127 PolarHBondContact NZ-OE1 3.3Å; K120-E127 IonicContact NZ-OE2 2.74Å; K120-E127 PolarHBondContact NZ-OE2 2.96Å; F122-E127 HydrophobicContact CD2-CB 4.04Å; F122-E127 HydrophobicContact CD2-CG 4.34Å; F122-E127 HydrophobicContact CE2-CB 3.72Å; D123-E127 WeakPolarHBondContact O-CB 3.31Å; D123-E127 PolarHBondContact O-N 3.1Å; E127-I129 PolarHBondContact O-N 2.97Å |
| 128 | T | 95.8 | Very high | 95 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 135.5 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | S31 N33 L34 P124 Y169 | S31-T128 WeakPolarHBondContact OG-CA 3.25Å; S31-T128 WeakPolarHBondContact OG-CB 3.49Å; S31-T128 PolarHBondContact OG-OG1 2.94Å; N33-T128 PolarHBondContact N-OG1 2.91Å; L34-T128 HydrophobicContact CD2-CG2 3.85Å; L34-T128 HydrophobicContact CG-CG2 4.25Å; L34-T128 PolarHBondContact N-OG1 3.23Å; P124-T128 VanDerWaalsContact O-CB 3.31Å; P124-T128 WeakPolarHBondContact O-CB 3.19Å; P124-T128 VanDerWaalsContact O-CG2 3.28Å; P124-T128 WeakPolarHBondContact O-CG2 3.09Å; P124-T128 PolarHBondContact O-N 2.88Å; T128-Y169 WeakPolarHBondContact CG2-OH 3.27Å |
| 129 | I | 95.7 | Very high | 94.7 | Very high | 46 Ų | 46 | 51.8 Ų | 51.8 | 24% | 0.236 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -84.2 | 134.4 | 166.6 | -54.4 | -178.9 | 0 | 0 | 0 | 107.9 | S31 V32 N33 E127 G131 K223 L225 | S31-I129 WeakPolarHBondContact O-CB 3.27Å; S31-I129 WeakPolarHBondContact O-CG1 3.34Å; S31-I129 PolarHBondContact O-N 3.37Å; V32-I129 CarbonylContact C-O 3.52Å; V32-I129 WeakPolarHBondContact CA-O 3.3Å; V32-I129 HydrophobicContact CG2-CB 4.35Å; N33-I129 PolarHBondContact N-O 3.35Å; E127-I129 PolarHBondContact O-N 2.97Å; I129-G131 PolarHBondContact O-N 3.34Å; I129-K223 WeakPolarHBondContact CA-O 3.37Å; I129-K223 HydrophobicContact CG1-CB 4.15Å; I129-K223 HydrophobicContact CG2-CB 4.16Å; I129-K223 WeakPolarHBondContact CG2-O 3.42Å; I129-L225 HydrophobicContact CG2-CD2 4.46Å; I129-L225 HydrophobicContact CG2-CG 4.1Å |
| 130 | F | 95 | Very high | 94.6 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -75 | 124.1 | 167.4 | -66.3 | -57.7 | 0 | 0 | 0 | 110 | M165 Y169 M172 L222 K223 S224 L225 | F130-M165 HydrophobicContact CD1-CB 4.48Å; F130-M165 HydrophobicContact CD1-CE 4.48Å; F130-M165 HydrophobicContact CE1-CB 4.33Å; F130-M165 HydrophobicContact CE1-CE 4.1Å; F130-Y169 AromaticContact CE1-CD2 3.7Å; F130-Y169 HydrophobicContact CE1-CD2 3.7Å; F130-Y169 AromaticContact CE1-CE2 3.74Å; F130-Y169 HydrophobicContact CE1-CE2 3.74Å; F130-Y169 HydrophobicContact CE1-CG 4.17Å; F130-Y169 AromaticContact CZ-CD1 3.99Å; F130-Y169 HydrophobicContact CZ-CD1 3.99Å; F130-Y169 AromaticContact CZ-CD2 3.83Å; F130-Y169 HydrophobicContact CZ-CD2 3.83Å; F130-Y169 HydrophobicContact CZ-CE1 4.13Å; F130-Y169 AromaticContact CZ-CE2 3.98Å; F130-Y169 HydrophobicContact CZ-CE2 3.98Å; F130-Y169 AromaticContact CZ-CG 3.83Å; F130-Y169 HydrophobicContact CZ-CG 3.83Å; F130-M172 HydrophobicContact CD1-SD 4.43Å; F130-M172 HydrophobicContact CE1-SD 4.05Å; F130-M172 HydrophobicContact CZ-SD 4.28Å; F130-L222 HydrophobicContact CD2-CB 4.13Å; F130-L222 HydrophobicContact CD2-CD1 4.41Å; F130-L222 HydrophobicContact CE1-CD1 4.5Å; F130-L222 HydrophobicContact CE2-CB 3.81Å; F130-L222 HydrophobicContact CE2-CD1 3.45Å; F130-L222 VanDerWaalsContact CE2-CD1 3.45Å; F130-L222 HydrophobicContact CE2-CG 4.27Å; F130-L222 HydrophobicContact CZ-CD1 3.51Å; F130-K223 PolarHBondContact N-O 2.78Å; F130-S224 WeakPolarHBondContact O-CA 3.37Å; F130-L225 PolarHBondContact O-N 2.94Å |
| 131 | G | 95.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -64 | 166.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N33 I129 | N33-G131 PolarHBondContact OD1-N 3.44Å; I129-G131 PolarHBondContact O-N 3.34Å |
| 132 | P | 95.3 | Very high | 93.7 | Very high | 65 Ų | 65 | 47.2 Ų | 47.2 | 42% | 0.422 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 138.4 | -179.6 | 27.6 | -34.5 | 0 | 0 | 0 | 111.1 | ||
| 133 | P | 95 | Very high | 93.5 | Very high | 4 Ų | 4 | 47.8 Ų | 47.8 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -68 | 152.5 | 164.7 | 31.5 | -35.1 | 0 | 0 | 0 | 110.4 | S149 Y174 A213 S227 | P133-S149 CarbonylContact C-O 3.49Å; P133-S149 WeakPolarHBondContact CA-O 3.28Å; P133-S149 WeakPolarHBondContact CB-O 3.32Å; P133-Y174 HydrophobicContact CB-CD1 4.04Å; P133-Y174 HydrophobicContact CB-CE1 4.01Å; P133-Y174 HydrophobicContact CG-CD1 4.25Å; P133-A213 WeakPolarHBondContact CD-O 3.14Å; P133-A213 HydrophobicContact CG-CB 3.77Å; P133-A213 VanDerWaalsContact CG-O 3.3Å; P133-A213 WeakPolarHBondContact CG-O 3.01Å; P133-S227 WeakPolarHBondContact O-CB 3.41Å |
| 134 | L | 94.4 | Very high | 93.4 | Very high | 122 Ų | 122 | 46 Ų | 46 | 64% | 0.639 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 131 | 167.7 | 176.4 | 65.2 | 0 | 0 | 0 | 109 | S149 | L134-S149 PolarHBondContact N-O 3.34Å; L134-S149 PolarHBondContact O-N 2.92Å |
| 135 | V | 96 | Very high | 93.4 | Very high | 16 Ų | 16 | 47 Ų | 47 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.3 | 177.7 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | V137 V146 L148 F211 A213 S227 | V135-V137 HydrophobicContact CG1-CG2 3.93Å; V135-V146 HydrophobicContact CG1-CG1 3.99Å; V135-L148 HydrophobicContact CB-CD2 4.23Å; V135-L148 HydrophobicContact CG1-CD2 3.98Å; V135-L148 HydrophobicContact CG2-CD2 3.79Å; V135-F211 HydrophobicContact CG1-CB 4.24Å; V135-A213 HydrophobicContact CG2-CB 3.79Å; V135-S227 WeakPolarHBondContact CG2-OG 3.39Å |
| 136 | S | 95.1 | Very high | 93.5 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 37% | 0.371 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 146.3 | 162.5 | -167.3 | 0 | 0 | 0 | 0 | 109.3 | V146 T147 | S136-V146 WeakPolarHBondContact O-CA 3.26Å; S136-T147 PolarHBondContact N-O 3.38Å; S136-T147 PolarHBondContact O-N 2.79Å |
| 137 | V | 95.3 | Very high | 93.6 | Very high | 17 Ų | 17 | 44 Ų | 44 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 123.2 | 178.6 | -168.4 | 0 | 0 | 0 | 0 | 109.9 | V135 A144 V145 V146 F211 I232 | V135-V137 HydrophobicContact CG1-CG2 3.93Å; V137-A144 HydrophobicContact CG1-CB 3.89Å; V137-V145 WeakPolarHBondContact CA-O 3.28Å; V137-V146 HydrophobicContact CG1-CG2 4.17Å; V137-V146 HydrophobicContact CG2-CG1 4.42Å; V137-V146 HydrophobicContact CG2-CG2 4.33Å; V137-F211 HydrophobicContact CG1-CD2 4.26Å; V137-F211 HydrophobicContact CG1-CE1 4.4Å; V137-F211 HydrophobicContact CG1-CE2 4.07Å; V137-F211 HydrophobicContact CG1-CZ 4.14Å; V137-F211 HydrophobicContact CG2-CB 3.99Å; V137-F211 HydrophobicContact CG2-CD1 4.28Å; V137-F211 HydrophobicContact CG2-CD2 3.99Å; V137-F211 HydrophobicContact CG2-CG 3.83Å; V137-I232 HydrophobicContact CB-CD1 4.38Å; V137-I232 HydrophobicContact CG1-CD1 3.55Å; V137-I232 HydrophobicContact CG1-CG1 4.38Å |
| 138 | E | 94 | Very high | 93.6 | Very high | 122 Ų | 122 | 41 Ų | 41 | 57% | 0.57 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 138.9 | 177.2 | -69.6 | 167.7 | -149.4 | 0 | 0 | 109.3 | A144 V145 | E138-A144 WeakPolarHBondContact O-CA 3.4Å; E138-V145 HydrophobicContact CB-CB 4.46Å; E138-V145 PolarHBondContact N-O 3.48Å; E138-V145 PolarHBondContact O-N 3.5Å |
| 139 | I | 91.8 | Very high | 93.4 | Very high | 69 Ų | 69 | 44 Ų | 44 | 35% | 0.354 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 118.4 | -180 | -53.9 | 178.2 | 0 | 0 | 0 | 109.5 | M203 I232 | I139-M203 HydrophobicContact CG2-CE 4.3Å; I139-I232 HydrophobicContact CD1-CB 4.45Å; I139-I232 HydrophobicContact CD1-CD1 3.8Å; I139-I232 HydrophobicContact CG1-CD1 3.63Å |
| 140 | E | 89.7 | Confident | 93.2 | Very high | 91 Ų | 91 | 43 Ų | 43 | 43% | 0.425 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 99.6 | 175.5 | -167.5 | -161 | 123.9 | 0 | 0 | 109 | N142 S143 V145 K199 | E140-N142 PolarHBondContact O-N 3.2Å; E140-S143 PolarHBondContact N-O 3.18Å; E140-S143 PolarHBondContact O-N 3.37Å; E140-V145 HydrophobicContact CB-CG2 4.13Å; E140-K199 IonicContact OE1-NZ 2.85Å; E140-K199 PolarHBondContact OE1-NZ 3.18Å; E140-K199 WeakPolarHBondContact OE2-CE 3.5Å; E140-K199 IonicContact OE2-NZ 2.9Å; E140-K199 PolarHBondContact OE2-NZ 3.45Å |
| 141 | N | 83.4 | Confident | 93.1 | Very high | 140 Ų | 140 | 43.4 Ų | 43.4 | 75% | 0.749 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | -85.5 | -173.9 | -57.3 | -40.1 | 0 | 0 | 0 | 113.5 | P235 | N141-P235 WeakPolarHBondContact O-CG 3.46Š|
| 142 | N | 87.3 | Confident | 93 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 14% | 0.139 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.8 | 29.7 | 176.7 | -164.1 | 30.2 | 0 | 0 | 0 | 112.3 | E140 M202 M203 Y205 | E140-N142 PolarHBondContact O-N 3.2Å; N142-M202 PolarHBondContact O-N 2.91Å; N142-M203 PolarHBondContact ND2-O 3.2Å; N142-M203 PolarHBondContact O-N 3.46Å; N142-M203 PolarHBondContact OD1-O 3.49Å; N142-Y205 HydrophobicContact CB-CE1 3.66Å; N142-Y205 VanDerWaalsContact CG-CE1 3.44Å |
| 143 | S | 92.6 | Very high | 92.9 | Very high | 17 Ų | 17 | 44 Ų | 44 | 12% | 0.119 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142.5 | 171.2 | -57.3 | 0 | 0 | 0 | 0 | 109.4 | E140 Y200 H201 | E140-S143 PolarHBondContact N-O 3.18Å; E140-S143 PolarHBondContact O-N 3.37Å; S143-Y200 CarbonylContact C-O 3.59Å; S143-Y200 WeakPolarHBondContact CA-O 3.26Å; S143-Y200 WeakPolarHBondContact CB-O 3.24Å; S143-H201 PolarHBondContact OG-ND1 3.41Å |
| 144 | A | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | V137 E138 V146 K199 Y200 M203 F211 | V137-A144 HydrophobicContact CG1-CB 3.89Å; E138-A144 WeakPolarHBondContact O-CA 3.4Å; A144-V146 HydrophobicContact CB-CG2 4.47Å; A144-K199 CarbonylContact O-C 3.54Å; A144-K199 WeakPolarHBondContact O-CA 3.43Å; A144-Y200 PolarHBondContact N-O 3.35Å; A144-Y200 PolarHBondContact O-N 3.4Å; A144-M203 HydrophobicContact CB-CE 3.95Å; A144-M203 HydrophobicContact CB-SD 3.63Å; A144-F211 HydrophobicContact CB-CE1 4.04Å; A144-F211 HydrophobicContact CB-CZ 3.69Å |
| 145 | V | 94.7 | Very high | 92.6 | Very high | 22 Ų | 22 | 43.7 Ų | 43.7 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 106.9 | 171 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | V137 E138 E140 L197 K199 | V137-V145 WeakPolarHBondContact CA-O 3.28Å; E138-V145 HydrophobicContact CB-CB 4.46Å; E138-V145 PolarHBondContact N-O 3.48Å; E138-V145 PolarHBondContact O-N 3.5Å; E140-V145 HydrophobicContact CB-CG2 4.13Å; V145-L197 HydrophobicContact CG1-CD1 3.62Å; V145-K199 HydrophobicContact CG2-CD 4.12Å; V145-K199 HydrophobicContact CG2-CG 4.18Å |
| 146 | V | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.5 | -177.5 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | V135 S136 V137 A144 L148 L176 F198 F211 | V135-V146 HydrophobicContact CG1-CG1 3.99Å; S136-V146 WeakPolarHBondContact O-CA 3.26Å; V137-V146 HydrophobicContact CG1-CG2 4.17Å; V137-V146 HydrophobicContact CG2-CG1 4.42Å; V137-V146 HydrophobicContact CG2-CG2 4.33Å; A144-V146 HydrophobicContact CB-CG2 4.47Å; V146-L148 HydrophobicContact CG1-CD2 3.76Å; V146-L148 HydrophobicContact CG1-CG 4.17Å; V146-L176 HydrophobicContact CB-CD2 4.24Å; V146-L176 HydrophobicContact CG1-CD1 4.12Å; V146-L176 HydrophobicContact CG1-CD2 3.99Å; V146-L176 HydrophobicContact CG2-CD2 4.24Å; V146-F198 PolarHBondContact N-O 3.39Å; V146-F198 PolarHBondContact O-N 3.19Å; V146-F211 HydrophobicContact CG2-CD1 3.65Å; V146-F211 HydrophobicContact CG2-CE1 3.63Å |
| 147 | T | 95.2 | Very high | 91.2 | Very high | 46 Ų | 46 | 45.7 Ų | 45.7 | 28% | 0.282 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 115.3 | 178.4 | -62.3 | 0 | 0 | 0 | 0 | 109.3 | S136 L197 | S136-T147 PolarHBondContact N-O 3.38Å; S136-T147 PolarHBondContact O-N 2.79Å; T147-L197 WeakPolarHBondContact OG1-CD1 3.34Å |
| 148 | L | 94.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 105 | -177.2 | -57.6 | -178.8 | 0 | 0 | 0 | 111.7 | V135 V146 Y174 L176 V191 G196 A213 | V135-L148 HydrophobicContact CB-CD2 4.23Å; V135-L148 HydrophobicContact CG1-CD2 3.98Å; V135-L148 HydrophobicContact CG2-CD2 3.79Å; V146-L148 HydrophobicContact CG1-CD2 3.76Å; V146-L148 HydrophobicContact CG1-CG 4.17Å; L148-Y174 HydrophobicContact CB-CD2 3.92Å; L148-Y174 HydrophobicContact CB-CE2 4.15Å; L148-Y174 HydrophobicContact CB-CG 4.31Å; L148-Y174 HydrophobicContact CD1-CD2 3.99Å; L148-Y174 HydrophobicContact CD1-CG 3.99Å; L148-L176 HydrophobicContact CD1-CB 4.34Å; L148-L176 HydrophobicContact CD2-CD1 4.43Å; L148-V191 HydrophobicContact CD1-CB 4.01Å; L148-V191 HydrophobicContact CD1-CG1 4.19Å; L148-V191 HydrophobicContact CD1-CG2 3.9Å; L148-G196 WeakPolarHBondContact CB-O 3.24Å; L148-G196 PolarHBondContact N-O 2.63Å; L148-A213 HydrophobicContact CD1-CB 4.21Å; L148-A213 HydrophobicContact CD2-CB 3.71Å |
| 149 | S | 91.9 | Very high | 89.5 | Confident | 63 Ų | 63 | 55.9 Ų | 55.9 | 44% | 0.441 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122.5 | 173.5 | -71.6 | 0 | 0 | 0 | 0 | 110.2 | P133 L134 | P133-S149 CarbonylContact C-O 3.49Å; P133-S149 WeakPolarHBondContact CA-O 3.28Å; P133-S149 WeakPolarHBondContact CB-O 3.32Å; L134-S149 PolarHBondContact N-O 3.34Å; L134-S149 PolarHBondContact O-N 2.92Å |
| 150 | G | 90.2 | Very high | 88.8 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 26% | 0.258 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 161.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y174 | G150-Y174 WeakPolarHBondContact CA-OH 3.18Å; G150-Y174 PolarHBondContact N-OH 2.8Å |
| 151 | P | 92.9 | Very high | 88.4 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 7% | 0.065 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 148.6 | 167.1 | 23 | -33.2 | 0 | 0 | 0 | 112 | N33 M165 M172 | N33-P151 WeakPolarHBondContact ND2-CB 3.44Å; N33-P151 WeakPolarHBondContact OD1-CB 3.16Å; P151-M165 HydrophobicContact CB-CG 4.03Å; P151-M165 HydrophobicContact CG-CB 4.2Å; P151-M165 HydrophobicContact CG-CG 3.91Å; P151-M165 WeakPolarHBondContact O-CB 3.41Å; P151-M165 VanDerWaalsContact O-CG 3.29Å; P151-M165 WeakPolarHBondContact O-CG 3.41Å; P151-M165 PolarHBondContact O-N 2.9Å; P151-M172 HydrophobicContact CG-CE 4Å |
| 152 | V | 93.1 | Very high | 88.5 | Confident | 68 Ų | 68 | 53 Ų | 53 | 41% | 0.412 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -100 | 143.8 | 172.7 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | N33 A162 L163 | N33-V152 WeakPolarHBondContact CB-O 3.19Å; V152-A162 HydrophobicContact CG1-CB 4Å; V152-L163 WeakPolarHBondContact CG1-O 3.34Å |
| 153 | R | 93.8 | Very high | 88.6 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 4% | 0.038 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 139.8 | 171.9 | -170.4 | -174.5 | -172.9 | 132.8 | 4.1 | 109.9 | L34 W94 E96 S155 L163 M165 I168 | L34-R153 HydrophobicContact CB-CG 4.17Å; L34-R153 HydrophobicContact CD1-CG 4.27Å; W94-R153 HydrophobicContact CH2-CG 4.47Å; W94-R153 HydrophobicContact CZ3-CG 4.49Å; W94-R153 PolarHBondContact O-NH2 3.5Å; E96-R153 IonicContact OE1-CZ 2.76Å; E96-R153 IonicContact OE1-NH1 2.64Å; E96-R153 PolarHBondContact OE1-NH1 3.46Å; E96-R153 IonicContact OE2-CZ 3.7Å; E96-R153 VanDerWaalsContact OE2-CZ 3.28Å; E96-R153 IonicContact OE2-NH1 2.69Å; E96-R153 PolarHBondContact OE2-NH1 2.77Å; E96-R153 IonicContact OE2-NH2 2.65Å; E96-R153 PolarHBondContact OE2-NH2 3.46Å; R153-S155 PolarHBondContact O-N 3.32Å; R153-L163 HydrophobicContact CB-CB 4.28Å; R153-L163 VanDerWaalsContact CB-O 3.31Å; R153-L163 WeakPolarHBondContact CB-O 3.45Å; R153-L163 PolarHBondContact N-O 2.85Å; R153-M165 HydrophobicContact CB-SD 3.91Å; R153-M165 HydrophobicContact CG-SD 4.41Å; R153-I168 HydrophobicContact CB-CD1 4.16Å; R153-I168 HydrophobicContact CG-CD1 4.19Å |
| 154 | Y | 92.9 | Very high | 88.6 | Confident | 79 Ų | 79 | 56.5 Ų | 56.5 | 31% | 0.31 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -62 | 123.4 | 172.2 | 177.8 | -110.2 | 0 | 0 | 0 | 111.2 | N33 R35 S90 P156 | N33-Y154 PolarHBondContact O-N 3.46Å; R35-Y154 HydrophobicContact CB-CD1 3.77Å; R35-Y154 HydrophobicContact CB-CD2 4.27Å; R35-Y154 HydrophobicContact CB-CE1 4.49Å; R35-Y154 HydrophobicContact CB-CG 3.61Å; R35-Y154 HydrophobicContact CG-CD1 3.51Å; R35-Y154 HydrophobicContact CG-CD2 4.11Å; R35-Y154 HydrophobicContact CG-CE1 3.74Å; R35-Y154 HydrophobicContact CG-CE2 4.34Å; R35-Y154 HydrophobicContact CG-CG 3.69Å; S90-Y154 WeakPolarHBondContact OG-CD1 3.34Å; Y154-P156 HydrophobicContact CE1-CB 4.43Å |
| 155 | S | 89.6 | Confident | 88.5 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 29% | 0.287 | 33% | 0.332 | S | S | . | . | trans | -95.7 | 114.3 | 178 | -165.9 | 0 | 0 | 0 | 0 | 109.3 | R153 N157 T160 | R153-S155 PolarHBondContact O-N 3.32Å; S155-N157 VanDerWaalsContact C-N 3.3Å; S155-N157 PolarHBondContact O-N 3.23Å; S155-N157 PolarHBondContact OG-O 2.66Å; S155-N157 VanDerWaalsContact OG-O 3.06Å; S155-T160 VanDerWaalsContact OG-CB 3.29Å; S155-T160 WeakPolarHBondContact OG-CB 3.41Å; S155-T160 PolarHBondContact OG-O 3.37Å; S155-T160 PolarHBondContact OG-OG1 3.21Å | ||
| 156 | P | 82.4 | Confident | 88.2 | Confident | 27 Ų | 27 | 57.5 Ų | 57.5 | 18% | 0.175 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -75.2 | -17.4 | -173.4 | 29.1 | -36 | 0 | 0 | 0 | 113.8 | A91 W94 Y154 | A91-P156 HydrophobicContact CB-CB 4.23Å; A91-P156 HydrophobicContact CB-CG 4.33Å; W94-P156 HydrophobicContact CE3-CG 4.2Å; W94-P156 VanDerWaalsContact CZ3-CD 3.5Å; W94-P156 HydrophobicContact CZ3-CG 4.16Å; Y154-P156 HydrophobicContact CE1-CB 4.43Å |
| 157 | N | 80.9 | Confident | 88 | Confident | 84 Ų | 84 | 62 Ų | 62 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -138 | 150.3 | 176.8 | -64.7 | -31.5 | 0 | 0 | 0 | 109.3 | S155 H159 T160 | S155-N157 VanDerWaalsContact C-N 3.3Å; S155-N157 PolarHBondContact O-N 3.23Å; S155-N157 PolarHBondContact OG-O 2.66Å; S155-N157 VanDerWaalsContact OG-O 3.06Å; N157-H159 PolarHBondContact O-N 3.2Å; N157-T160 PolarHBondContact O-N 3.05Å; N157-T160 PolarHBondContact O-OG1 3.2Å |
| 158 | N | 76.1 | Confident | 87.8 | Confident | 170 Ų | 170 | 61 Ų | 61 | 91% | 0.909 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -7.3 | -179.4 | -64.2 | -9.1 | 0 | 0 | 0 | 114.9 | ||
| 159 | H | 75.9 | Confident | 87.6 | Confident | 183 Ų | 183 | 60.9 Ų | 60.9 | 85% | 0.847 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -13.6 | 178.7 | -58.3 | -67.7 | 0 | 0 | 0 | 113.9 | N157 | N157-H159 PolarHBondContact O-N 3.2Š|
| 160 | T | 77.9 | Confident | 87.4 | Confident | 46 Ų | 46 | 62.6 Ų | 62.6 | 28% | 0.282 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -80.2 | 125.3 | 174.7 | 21.9 | 0 | 0 | 0 | 0 | 109.8 | S155 N157 | S155-T160 VanDerWaalsContact OG-CB 3.29Å; S155-T160 WeakPolarHBondContact OG-CB 3.41Å; S155-T160 PolarHBondContact OG-O 3.37Å; S155-T160 PolarHBondContact OG-OG1 3.21Å; N157-T160 PolarHBondContact O-N 3.05Å; N157-T160 PolarHBondContact O-OG1 3.2Å |
| 161 | P | 80.6 | Confident | 87.3 | Confident | 109 Ų | 109 | 69.6 Ų | 69.6 | 71% | 0.708 | 38% | 0.377 | S | S | * | . | trans | -65.5 | 152.9 | -174 | 27.1 | -35.2 | 0 | 0 | 0 | 112.1 | L163 | P161-L163 PolarHBondContact O-N 3.35Š| ||
| 162 | A | 85.8 | Confident | 87.1 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 69% | 0.686 | 37% | 0.374 | S | S | * | . | trans | -69.2 | 92.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V152 | V152-A162 HydrophobicContact CG1-CB 4Š| ||
| 163 | L | 90.2 | Very high | 87.1 | Confident | 57 Ų | 57 | 66.2 Ų | 66.2 | 30% | 0.298 | 36% | 0.357 | S | S | . | . | trans | -85.1 | 121.2 | 178.6 | -174.3 | 60.2 | 0 | 0 | 0 | 110.5 | V152 R153 P161 T167 I168 | V152-L163 WeakPolarHBondContact CG1-O 3.34Å; R153-L163 HydrophobicContact CB-CB 4.28Å; R153-L163 VanDerWaalsContact CB-O 3.31Å; R153-L163 WeakPolarHBondContact CB-O 3.45Å; R153-L163 PolarHBondContact N-O 2.85Å; P161-L163 PolarHBondContact O-N 3.35Å; L163-T167 HydrophobicContact CD1-CG2 3.62Å; L163-I168 HydrophobicContact CD2-CD1 3.84Å; L163-I168 HydrophobicContact CD2-CG1 3.83Å; L163-I168 HydrophobicContact CG-CD1 4.14Å; L163-I168 HydrophobicContact CG-CG1 4.17Å | ||
| 164 | T | 91.2 | Very high | 87.1 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -71.7 | 146.5 | 177.8 | 81.2 | 0 | 0 | 0 | 0 | 110.8 | K166 T167 | T164-K166 PolarHBondContact O-N 3.01Å; T164-T167 WeakPolarHBondContact O-CB 3.37Å; T164-T167 PolarHBondContact O-N 2.81Å; T164-T167 PolarHBondContact O-OG1 2.78Å; T164-T167 PolarHBondContact OG1-N 3.46Å; T164-T167 PolarHBondContact OG1-OG1 3.13Å |
| 165 | M | 92.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.2 | -27.4 | 176 | -66.4 | -50.9 | -53.4 | 0 | 0 | 112.2 | N33 L34 F130 P151 R153 T167 I168 Y169 M172 | N33-M165 HydrophobicContact CB-SD 4.24Å; L34-M165 HydrophobicContact CD1-CE 3.83Å; L34-M165 HydrophobicContact CG-CE 4.06Å; F130-M165 HydrophobicContact CD1-CB 4.48Å; F130-M165 HydrophobicContact CD1-CE 4.48Å; F130-M165 HydrophobicContact CE1-CB 4.33Å; F130-M165 HydrophobicContact CE1-CE 4.1Å; P151-M165 HydrophobicContact CB-CG 4.03Å; P151-M165 HydrophobicContact CG-CB 4.2Å; P151-M165 HydrophobicContact CG-CG 3.91Å; P151-M165 WeakPolarHBondContact O-CB 3.41Å; P151-M165 VanDerWaalsContact O-CG 3.29Å; P151-M165 WeakPolarHBondContact O-CG 3.41Å; P151-M165 PolarHBondContact O-N 2.9Å; R153-M165 HydrophobicContact CB-SD 3.91Å; R153-M165 HydrophobicContact CG-SD 4.41Å; M165-T167 VanDerWaalsContact C-N 3.26Å; M165-T167 PolarHBondContact O-N 2.86Å; M165-I168 HydrophobicContact CE-CD1 4.02Å; M165-I168 PolarHBondContact O-N 2.81Å; M165-I168 VanDerWaalsContact O-N 3.15Å; M165-I168 HydrophobicContact SD-CD1 4.14Å; M165-Y169 HydrophobicContact CE-CD2 3.83Å; M165-Y169 HydrophobicContact CE-CE2 3.47Å; M165-Y169 VanDerWaalsContact CE-CE2 3.47Å; M165-Y169 WeakPolarHBondContact O-CD2 3.46Å; M165-Y169 PolarHBondContact O-N 3.07Å; M165-M172 HydrophobicContact CB-CE 4.41Å; M165-M172 HydrophobicContact CB-SD 3.92Å |
| 166 | K | 89.3 | Confident | 87.4 | Confident | 42 Ų | 42 | 62 Ų | 62 | 18% | 0.183 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.3 | -19 | 176.2 | -169.1 | 165.2 | -172.3 | 168 | 0 | 113.9 | T164 Y169 M172 N193 S194 | T164-K166 PolarHBondContact O-N 3.01Å; K166-Y169 CarbonylContact O-C 3.57Å; K166-M172 VanDerWaalsContact CE-O 3.27Å; K166-M172 WeakPolarHBondContact CE-O 3.29Å; K166-M172 HydrophobicContact CG-CB 4.34Å; K166-N193 PolarHBondContact NZ-O 2.83Å; K166-S194 PolarHBondContact NZ-O 2.67Å; K166-S194 VanDerWaalsContact NZ-O 3.09Å |
| 167 | T | 90.7 | Very high | 88.1 | Confident | 96 Ų | 96 | 61.1 Ų | 61.1 | 59% | 0.589 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -76.6 | -26.9 | 172.5 | -45.8 | 0 | 0 | 0 | 0 | 111.9 | L163 T164 M165 | L163-T167 HydrophobicContact CD1-CG2 3.62Å; T164-T167 WeakPolarHBondContact O-CB 3.37Å; T164-T167 PolarHBondContact O-N 2.81Å; T164-T167 PolarHBondContact O-OG1 2.78Å; T164-T167 PolarHBondContact OG1-N 3.46Å; T164-T167 PolarHBondContact OG1-OG1 3.13Å; M165-T167 VanDerWaalsContact C-N 3.26Å; M165-T167 PolarHBondContact O-N 2.86Å |
| 168 | I | 91.3 | Very high | 88.9 | Confident | 24 Ų | 24 | 57.2 Ų | 57.2 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -90.1 | -36.8 | 179.6 | -58.5 | 162.2 | 0 | 0 | 0 | 110.5 | L34 E96 R153 L163 M165 | L34-I168 HydrophobicContact CD1-CD1 3.83Å; L34-I168 HydrophobicContact CD1-CG2 4.42Å; E96-I168 HydrophobicContact CG-CG2 4.1Å; E96-I168 WeakPolarHBondContact OE1-CG2 3.33Å; R153-I168 HydrophobicContact CB-CD1 4.16Å; R153-I168 HydrophobicContact CG-CD1 4.19Å; L163-I168 HydrophobicContact CD2-CD1 3.84Å; L163-I168 HydrophobicContact CD2-CG1 3.83Å; L163-I168 HydrophobicContact CG-CD1 4.14Å; L163-I168 HydrophobicContact CG-CG1 4.17Å; M165-I168 HydrophobicContact CE-CD1 4.02Å; M165-I168 PolarHBondContact O-N 2.81Å; M165-I168 VanDerWaalsContact O-N 3.15Å; M165-I168 HydrophobicContact SD-CD1 4.14Å |
| 169 | Y | 91.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -111.9 | 84.5 | 176.9 | -63.9 | -91.7 | 0 | 0 | 0 | 108.9 | K125 T128 F130 M165 K166 R171 M172 Y217 L222 | K125-Y169 VanDerWaalsContact CA-OH 3.28Å; K125-Y169 WeakPolarHBondContact CA-OH 3.49Å; K125-Y169 HydrophobicContact CG-CE1 4.01Å; K125-Y169 PolarHBondContact O-OH 2.65Å; T128-Y169 WeakPolarHBondContact CG2-OH 3.27Å; F130-Y169 AromaticContact CE1-CD2 3.7Å; F130-Y169 HydrophobicContact CE1-CD2 3.7Å; F130-Y169 AromaticContact CE1-CE2 3.74Å; F130-Y169 HydrophobicContact CE1-CE2 3.74Å; F130-Y169 HydrophobicContact CE1-CG 4.17Å; F130-Y169 AromaticContact CZ-CD1 3.99Å; F130-Y169 HydrophobicContact CZ-CD1 3.99Å; F130-Y169 AromaticContact CZ-CD2 3.83Å; F130-Y169 HydrophobicContact CZ-CD2 3.83Å; F130-Y169 HydrophobicContact CZ-CE1 4.13Å; F130-Y169 AromaticContact CZ-CE2 3.98Å; F130-Y169 HydrophobicContact CZ-CE2 3.98Å; F130-Y169 AromaticContact CZ-CG 3.83Å; F130-Y169 HydrophobicContact CZ-CG 3.83Å; M165-Y169 HydrophobicContact CE-CD2 3.83Å; M165-Y169 HydrophobicContact CE-CE2 3.47Å; M165-Y169 VanDerWaalsContact CE-CE2 3.47Å; M165-Y169 WeakPolarHBondContact O-CD2 3.46Å; M165-Y169 PolarHBondContact O-N 3.07Å; K166-Y169 CarbonylContact O-C 3.57Å; Y169-R171 PolarHBondContact O-N 2.86Å; Y169-R171 VanDerWaalsContact O-N 3.14Å; Y169-M172 WeakPolarHBondContact O-CB 3.44Å; Y169-M172 PolarHBondContact O-N 3.43Å; Y169-Y217 AromaticContact CD1-CD1 3.86Å; Y169-Y217 HydrophobicContact CD1-CD1 3.86Å; Y169-Y217 HydrophobicContact CD1-CD2 4.12Å; Y169-Y217 AromaticContact CD1-CE1 3.75Å; Y169-Y217 HydrophobicContact CD1-CE1 3.75Å; Y169-Y217 HydrophobicContact CD1-CE2 4.03Å; Y169-Y217 HydrophobicContact CD1-CG 4.05Å; Y169-Y217 AromaticContact CD1-CZ 3.85Å; Y169-Y217 HydrophobicContact CE1-CD1 4.34Å; Y169-Y217 HydrophobicContact CE1-CE1 4.26Å; Y169-L222 HydrophobicContact CD1-CD1 4.16Å; Y169-L222 HydrophobicContact CE1-CD1 3.49Å; Y169-L222 VanDerWaalsContact CE1-CD1 3.49Å |
| 170 | D | 87.4 | Confident | 90.6 | Very high | 99 Ų | 99 | 43 Ų | 43 | 53% | 0.529 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | -44.6 | -176.9 | 70.8 | -35.9 | 0 | 0 | 0 | 113.6 | M172 | D170-M172 VanDerWaalsContact C-N 3.33Å; D170-M172 PolarHBondContact O-N 3.25Å |
| 171 | R | 87.4 | Confident | 91.3 | Very high | 172 Ų | 172 | 43.7 Ų | 43.7 | 65% | 0.649 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 27.8 | -177.9 | -66.1 | 152.5 | -165.8 | -116.7 | 0.5 | 113 | Y169 Y217 | Y169-R171 PolarHBondContact O-N 2.86Å; Y169-R171 VanDerWaalsContact O-N 3.14Å; R171-Y217 HydrophobicContact CB-CD2 4.43Å; R171-Y217 HydrophobicContact CB-CE2 3.96Å |
| 172 | M | 89.7 | Confident | 91.7 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 120.9 | 174.2 | 177.7 | 171.5 | 160.7 | 0 | 0 | 111.4 | F130 P151 M165 K166 Y169 D170 Y174 S215 | F130-M172 HydrophobicContact CD1-SD 4.43Å; F130-M172 HydrophobicContact CE1-SD 4.05Å; F130-M172 HydrophobicContact CZ-SD 4.28Å; P151-M172 HydrophobicContact CG-CE 4Å; M165-M172 HydrophobicContact CB-CE 4.41Å; M165-M172 HydrophobicContact CB-SD 3.92Å; K166-M172 VanDerWaalsContact CE-O 3.27Å; K166-M172 WeakPolarHBondContact CE-O 3.29Å; K166-M172 HydrophobicContact CG-CB 4.34Å; Y169-M172 WeakPolarHBondContact O-CB 3.44Å; Y169-M172 PolarHBondContact O-N 3.43Å; D170-M172 VanDerWaalsContact C-N 3.33Å; D170-M172 PolarHBondContact O-N 3.25Å; M172-Y174 HydrophobicContact CE-CE1 3.68Å; M172-S215 VanDerWaalsContact CE-OG 3.31Å; M172-S215 WeakPolarHBondContact CE-OG 3.39Å |
| 173 | S | 91.9 | Very high | 91.8 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 4% | 0.035 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 180 | 174.1 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | V191 R216 | S173-V191 WeakPolarHBondContact CB-O 3.45Å; S173-R216 PolarHBondContact N-O 2.91Å; S173-R216 PolarHBondContact O-N 2.95Å |
| 174 | Y | 93.8 | Very high | 91.9 | Very high | 9 Ų | 9 | 53 Ų | 53 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 151.8 | 172.9 | -49.5 | -76.6 | 0 | 0 | 0 | 110.5 | P133 L148 G150 M172 P190 V191 K214 | P133-Y174 HydrophobicContact CB-CD1 4.04Å; P133-Y174 HydrophobicContact CB-CE1 4.01Å; P133-Y174 HydrophobicContact CG-CD1 4.25Å; L148-Y174 HydrophobicContact CB-CD2 3.92Å; L148-Y174 HydrophobicContact CB-CE2 4.15Å; L148-Y174 HydrophobicContact CB-CG 4.31Å; L148-Y174 HydrophobicContact CD1-CD2 3.99Å; L148-Y174 HydrophobicContact CD1-CG 3.99Å; G150-Y174 WeakPolarHBondContact CA-OH 3.18Å; G150-Y174 PolarHBondContact N-OH 2.8Å; M172-Y174 HydrophobicContact CE-CE1 3.68Å; Y174-P190 WeakPolarHBondContact O-CA 3.31Å; Y174-V191 PolarHBondContact N-O 2.93Å; Y174-V191 PolarHBondContact O-N 3.09Å; Y174-K214 WeakPolarHBondContact CA-O 3.43Å |
| 175 | N | 94.3 | Very high | 91.9 | Very high | 33 Ų | 33 | 54.9 Ų | 54.9 | 18% | 0.176 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 105.8 | 163.2 | -178 | -13.7 | 0 | 0 | 0 | 107.3 | A213 K214 | N175-A213 WeakPolarHBondContact O-CA 3.28Å; N175-K214 HydrophobicContact CB-CG 4.12Å; N175-K214 PolarHBondContact N-O 3.23Å; N175-K214 PolarHBondContact O-N 3.45Å |
| 176 | L | 96 | Very high | 92 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 130.4 | 175.6 | 175.9 | 61.9 | 0 | 0 | 0 | 109.3 | V146 L148 I178 H188 F189 V191 F198 F211 A213 | V146-L176 HydrophobicContact CB-CD2 4.24Å; V146-L176 HydrophobicContact CG1-CD1 4.12Å; V146-L176 HydrophobicContact CG1-CD2 3.99Å; V146-L176 HydrophobicContact CG2-CD2 4.24Å; L148-L176 HydrophobicContact CD1-CB 4.34Å; L148-L176 HydrophobicContact CD2-CD1 4.43Å; L176-I178 HydrophobicContact CD2-CD1 4.06Å; L176-I178 HydrophobicContact CD2-CG1 4.17Å; L176-I178 HydrophobicContact CG-CD1 4.42Å; L176-I178 HydrophobicContact CG-CG1 3.99Å; L176-H188 CarbonylContact O-C 3.5Å; L176-H188 WeakPolarHBondContact O-CA 3.31Å; L176-F189 HydrophobicContact CB-CB 4.5Å; L176-F189 PolarHBondContact N-O 3.29Å; L176-F189 PolarHBondContact O-N 2.88Å; L176-V191 HydrophobicContact CB-CG2 3.96Å; L176-V191 HydrophobicContact CD2-CG2 4.46Å; L176-F198 HydrophobicContact CD2-CB 4.44Å; L176-F198 HydrophobicContact CD2-CD1 3.48Å; L176-F198 VanDerWaalsContact CD2-CD1 3.48Å; L176-F198 HydrophobicContact CD2-CE1 3.92Å; L176-F198 HydrophobicContact CD2-CG 4.1Å; L176-F211 HydrophobicContact CD1-CD1 4.49Å; L176-A213 HydrophobicContact CD1-CB 4.21Å |
| 177 | S | 96.7 | Very high | 92.3 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 6% | 0.056 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 121.7 | 176.8 | -44.7 | 0 | 0 | 0 | 0 | 108.1 | L187 H188 F211 S212 W229 | S177-L187 CarbonylContact C-O 3.45Å; S177-L187 WeakPolarHBondContact CA-O 3.37Å; S177-H188 PolarHBondContact OG-CE1 3.18Å; S177-H188 PolarHBondContact OG-ND1 2.89Å; S177-F211 WeakPolarHBondContact O-CA 3.29Å; S177-S212 WeakPolarHBondContact CA-O 3.45Å; S177-S212 VanDerWaalsContact CB-O 3.26Å; S177-S212 WeakPolarHBondContact CB-O 3.28Å; S177-S212 PolarHBondContact N-O 3.13Å; S177-S212 PolarHBondContact O-N 3.4Å; S177-S212 PolarHBondContact OG-O 3.27Å; S177-W229 WeakPolarHBondContact O-CZ3 3.46Å |
| 178 | I | 96.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 115.2 | 178.7 | -53.2 | -177.4 | 0 | 0 | 0 | 107.6 | L176 V186 L187 F189 F198 Y200 Y209 C210 F211 | L176-I178 HydrophobicContact CD2-CD1 4.06Å; L176-I178 HydrophobicContact CD2-CG1 4.17Å; L176-I178 HydrophobicContact CG-CD1 4.42Å; L176-I178 HydrophobicContact CG-CG1 3.99Å; I178-V186 CarbonylContact O-C 3.58Å; I178-V186 WeakPolarHBondContact O-CA 3.28Å; I178-L187 PolarHBondContact N-O 3.02Å; I178-L187 PolarHBondContact O-N 3.23Å; I178-F189 HydrophobicContact CB-CE2 4.48Å; I178-F189 HydrophobicContact CD1-CD2 3.81Å; I178-F189 HydrophobicContact CD1-CE2 3.78Å; I178-F189 HydrophobicContact CG1-CD2 4.11Å; I178-F189 HydrophobicContact CG1-CE2 4.21Å; I178-F198 HydrophobicContact CD1-CE1 4.19Å; I178-Y200 HydrophobicContact CD1-CD1 4.12Å; I178-Y200 HydrophobicContact CD1-CD2 3.75Å; I178-Y200 HydrophobicContact CD1-CE2 4.3Å; I178-Y200 HydrophobicContact CD1-CG 3.66Å; I178-Y200 HydrophobicContact CG2-CE1 4.35Å; I178-Y209 HydrophobicContact CG2-CD1 3.86Å; I178-C210 WeakPolarHBondContact CA-O 3.41Å; I178-F211 HydrophobicContact CD1-CD1 4.13Å; I178-F211 HydrophobicContact CD1-CE1 3.8Å; I178-F211 HydrophobicContact CG1-CD1 3.84Å; I178-F211 HydrophobicContact CG1-CE1 3.94Å; I178-F211 HydrophobicContact CG2-CD1 4.27Å; I178-F211 HydrophobicContact CG2-CE1 3.91Å; I178-F211 HydrophobicContact CG2-CZ 4.19Å |
| 179 | F | 95.9 | Very high | 92.6 | Very high | 47 Ų | 47 | 60.8 Ų | 60.8 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.1 | 174.4 | 175.2 | -109.6 | 0 | 0 | 0 | 109.9 | N184 Q185 V186 Y209 C210 W229 | F179-N184 WeakPolarHBondContact CE2-OD1 3.4Å; F179-Q185 WeakPolarHBondContact CA-O 3.24Å; F179-V186 HydrophobicContact CB-CG2 4.23Å; F179-V186 HydrophobicContact CD2-CG2 3.75Å; F179-V186 HydrophobicContact CG-CG2 4.43Å; F179-Y209 CarbonylContact O-C 3.57Å; F179-Y209 VanDerWaalsContact O-CA 3.31Å; F179-Y209 WeakPolarHBondContact O-CA 3.19Å; F179-C210 HydrophobicContact CB-CB 4.26Å; F179-C210 HydrophobicContact CD1-CB 4.28Å; F179-C210 PolarHBondContact N-O 3.07Å; F179-C210 PolarHBondContact O-N 3.13Å; F179-W229 HydrophobicContact CB-CE3 4.47Å; F179-W229 HydrophobicContact CB-CH2 4.08Å; F179-W229 HydrophobicContact CB-CZ3 3.81Å |
| 180 | N | 93.2 | Very high | 92.6 | Very high | 8 Ų | 8 | 64.3 Ų | 64.3 | 4% | 0.043 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 113.8 | 174.2 | 174.3 | -35.6 | 0 | 0 | 0 | 108.8 | R182 R183 N184 Q185 D204 Y209 | N180-R182 VanDerWaalsContact C-N 3.31Å; N180-R182 PolarHBondContact O-N 3.45Å; N180-R182 WeakPolarHBondContact OD1-CA 3.31Å; N180-R182 WeakPolarHBondContact OD1-CB 3.4Å; N180-R182 PolarHBondContact OD1-N 3.03Å; N180-R183 HydrophobicContact CB-CB 4.29Å; N180-R183 PolarHBondContact O-N 2.94Å; N180-R183 PolarHBondContact OD1-N 3.37Å; N180-N184 WeakPolarHBondContact O-CA 3.45Å; N180-N184 PolarHBondContact O-N 3.36Å; N180-Q185 PolarHBondContact N-O 2.91Å; N180-D204 PolarHBondContact ND2-OD2 2.98Å; N180-Y209 HydrophobicContact CB-CD1 4.06Å; N180-Y209 HydrophobicContact CB-CE1 3.77Å; N180-Y209 VanDerWaalsContact ND2-CZ 3.3Å; N180-Y209 PolarHBondContact ND2-OH 2.82Å; N180-Y209 VanDerWaalsContact ND2-OH 3.11Å |
| 181 | T | 91.4 | Very high | 92.8 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 36% | 0.362 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -31.6 | -175.5 | -56.2 | 0 | 0 | 0 | 0 | 112.6 | E208 | T181-E208 PolarHBondContact N-O 2.99Å; T181-E208 PolarHBondContact OG1-O 3.34Å; T181-E208 PolarHBondContact OG1-OE2 2.92Å |
| 182 | R | 89.4 | Confident | 92.8 | Very high | 168 Ų | 168 | 57.8 Ų | 57.8 | 63% | 0.634 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -40.1 | 176.5 | 168.3 | -172.6 | -89.2 | -161.2 | -3.2 | 112.3 | N180 T207 | N180-R182 VanDerWaalsContact C-N 3.31Å; N180-R182 PolarHBondContact O-N 3.45Å; N180-R182 WeakPolarHBondContact OD1-CA 3.31Å; N180-R182 WeakPolarHBondContact OD1-CB 3.4Å; N180-R182 PolarHBondContact OD1-N 3.03Å; R182-T207 HydrophobicContact CB-CG2 3.6Å |
| 183 | R | 89 | Confident | 92.4 | Very high | 149 Ų | 149 | 61 Ų | 61 | 56% | 0.562 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -9.5 | -177.5 | -59 | -176.4 | -168.2 | -150 | 2.3 | 113.1 | N180 Q185 D204 | N180-R183 HydrophobicContact CB-CB 4.29Å; N180-R183 PolarHBondContact O-N 2.94Å; N180-R183 PolarHBondContact OD1-N 3.37Å; R183-Q185 HydrophobicContact CB-CB 4.33Å; R183-Q185 PolarHBondContact O-N 3.19Å; R183-D204 IonicContact CZ-OD1 2.67Å; R183-D204 IonicContact CZ-OD2 3.24Å; R183-D204 IonicContact NE-OD1 3.8Å; R183-D204 IonicContact NE-OD2 2.8Å; R183-D204 PolarHBondContact NE-OD2 3.15Å; R183-D204 VanDerWaalsContact NH2-CG 3.35Å; R183-D204 IonicContact NH2-OD1 3.28Å; R183-D204 PolarHBondContact NH2-OD1 3.36Å; R183-D204 IonicContact NH2-OD2 2.81Å; R183-D204 PolarHBondContact NH2-OD2 3.48Å |
| 184 | N | 91.6 | Very high | 91.5 | Very high | 129 Ų | 129 | 65.6 Ų | 65.6 | 69% | 0.69 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 40.2 | -173.3 | -166 | 39.7 | 0 | 0 | 0 | 113.2 | F179 N180 | F179-N184 WeakPolarHBondContact CE2-OD1 3.4Å; N180-N184 WeakPolarHBondContact O-CA 3.45Å; N180-N184 PolarHBondContact O-N 3.36Å |
| 185 | Q | 91.5 | Very high | 90.9 | Very high | 100 Ų | 100 | 68.6 Ų | 68.6 | 47% | 0.467 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.3 | -173.8 | -172.5 | 178.9 | 19.6 | 0 | 0 | 110.4 | F179 N180 R183 L187 | F179-Q185 WeakPolarHBondContact CA-O 3.24Å; N180-Q185 PolarHBondContact N-O 2.91Å; R183-Q185 HydrophobicContact CB-CB 4.33Å; R183-Q185 PolarHBondContact O-N 3.19Å; Q185-L187 HydrophobicContact CG-CD2 4.24Å |
| 186 | V | 94.8 | Very high | 90.5 | Very high | 61 Ų | 61 | 67.1 Ų | 67.1 | 37% | 0.37 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129.6 | 166.7 | -174.3 | 0 | 0 | 0 | 0 | 109 | I178 F179 W229 | I178-V186 CarbonylContact O-C 3.58Å; I178-V186 WeakPolarHBondContact O-CA 3.28Å; F179-V186 HydrophobicContact CB-CG2 4.23Å; F179-V186 HydrophobicContact CD2-CG2 3.75Å; F179-V186 HydrophobicContact CG-CG2 4.43Å; V186-W229 HydrophobicContact CG1-CH2 4.28Å |
| 187 | L | 94.1 | Very high | 90.3 | Very high | 57 Ų | 57 | 71 Ų | 71 | 30% | 0.298 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 139.9 | 170 | -60.9 | 176.5 | 0 | 0 | 0 | 109.3 | S177 I178 Q185 F189 | S177-L187 CarbonylContact C-O 3.45Å; S177-L187 WeakPolarHBondContact CA-O 3.37Å; I178-L187 PolarHBondContact N-O 3.02Å; I178-L187 PolarHBondContact O-N 3.23Å; Q185-L187 HydrophobicContact CG-CD2 4.24Å; L187-F189 HydrophobicContact CB-CD2 4.4Å; L187-F189 HydrophobicContact CB-CE2 3.53Å; L187-F189 HydrophobicContact CB-CZ 3.9Å; L187-F189 HydrophobicContact CD1-CE2 4.33Å; L187-F189 HydrophobicContact CD1-CZ 4.14Å |
| 188 | H | 94.3 | Very high | 90.2 | Very high | 113 Ų | 113 | 72.6 Ų | 72.6 | 52% | 0.523 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128.1 | -179.5 | -69 | -63.2 | 0 | 0 | 0 | 111.2 | L176 S177 | L176-H188 CarbonylContact O-C 3.5Å; L176-H188 WeakPolarHBondContact O-CA 3.31Å; S177-H188 PolarHBondContact OG-CE1 3.18Å; S177-H188 PolarHBondContact OG-ND1 2.89Å |
| 189 | F | 93.7 | Very high | 90 | Very high | 54 Ų | 54 | 76 Ų | 76 | 24% | 0.237 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 123.3 | -176.5 | -62.2 | -78.4 | 0 | 0 | 0 | 110.7 | L176 I178 L187 F198 Y200 | L176-F189 HydrophobicContact CB-CB 4.5Å; L176-F189 PolarHBondContact N-O 3.29Å; L176-F189 PolarHBondContact O-N 2.88Å; I178-F189 HydrophobicContact CB-CE2 4.48Å; I178-F189 HydrophobicContact CD1-CD2 3.81Å; I178-F189 HydrophobicContact CD1-CE2 3.78Å; I178-F189 HydrophobicContact CG1-CD2 4.11Å; I178-F189 HydrophobicContact CG1-CE2 4.21Å; L187-F189 HydrophobicContact CB-CD2 4.4Å; L187-F189 HydrophobicContact CB-CE2 3.53Å; L187-F189 HydrophobicContact CB-CZ 3.9Å; L187-F189 HydrophobicContact CD1-CE2 4.33Å; L187-F189 HydrophobicContact CD1-CZ 4.14Å; F189-F198 HydrophobicContact CB-CE1 4.38Å; F189-F198 HydrophobicContact CB-CE2 4.03Å; F189-F198 HydrophobicContact CB-CZ 3.76Å; F189-F198 HydrophobicContact CD1-CE2 4.44Å; F189-F198 AromaticContact CD1-CZ 3.81Å; F189-F198 HydrophobicContact CD1-CZ 3.81Å; F189-F198 HydrophobicContact CD2-CE1 4.32Å; F189-F198 HydrophobicContact CD2-CZ 4.13Å; F189-F198 HydrophobicContact CE1-CZ 4.45Å; F189-F198 HydrophobicContact CG-CE1 4.23Å; F189-F198 HydrophobicContact CG-CE2 4.32Å; F189-F198 AromaticContact CG-CZ 3.62Å; F189-F198 HydrophobicContact CG-CZ 3.62Å; F189-Y200 HydrophobicContact CE2-CD2 4.22Å; F189-Y200 HydrophobicContact CE2-CE2 4.07Å; F189-Y200 HydrophobicContact CZ-CD2 4.25Å; F189-Y200 AromaticContact CZ-CE2 3.93Å; F189-Y200 HydrophobicContact CZ-CE2 3.93Å |
| 190 | P | 92.2 | Very high | 89.9 | Confident | 75 Ų | 75 | 75.5 Ų | 75.5 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 127.3 | 168.8 | 30.1 | -31.7 | 0 | 0 | 0 | 109.8 | Y174 | Y174-P190 WeakPolarHBondContact O-CA 3.31Å |
| 191 | V | 92.1 | Very high | 89.8 | Confident | 4 Ų | 4 | 80.1 Ų | 80.1 | 2% | 0.024 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 96.2 | 175.6 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | L148 S173 Y174 L176 N193 F198 | L148-V191 HydrophobicContact CD1-CB 4.01Å; L148-V191 HydrophobicContact CD1-CG1 4.19Å; L148-V191 HydrophobicContact CD1-CG2 3.9Å; S173-V191 WeakPolarHBondContact CB-O 3.45Å; Y174-V191 PolarHBondContact N-O 2.93Å; Y174-V191 PolarHBondContact O-N 3.09Å; L176-V191 HydrophobicContact CB-CG2 3.96Å; L176-V191 HydrophobicContact CD2-CG2 4.46Å; V191-N193 HydrophobicContact CG1-CB 4.46Å; V191-F198 HydrophobicContact CG1-CB 4.14Å; V191-F198 HydrophobicContact CG2-CB 3.9Å; V191-F198 HydrophobicContact CG2-CD2 3.85Å; V191-F198 HydrophobicContact CG2-CG 3.96Å |
| 192 | E | 86.8 | Confident | 89.6 | Confident | 129 Ų | 129 | 85.5 Ų | 85.5 | 60% | 0.603 | 42% | 0.424 | S | S | * | . | trans | -94 | -14.9 | -176.3 | -55 | -169.7 | 157.2 | 0 | 0 | 112.7 | ||||
| 193 | N | 81.1 | Confident | 89.6 | Confident | 71 Ų | 71 | 77.8 Ų | 77.8 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | trans | -48.4 | 137.3 | -179.8 | -169.6 | -1.6 | 0 | 0 | 0 | 112.4 | K166 V191 S195 G196 L197 | K166-N193 PolarHBondContact NZ-O 2.83Å; V191-N193 HydrophobicContact CG1-CB 4.46Å; N193-S195 VanDerWaalsContact C-N 3.31Å; N193-S195 PolarHBondContact ND2-OG 3.2Å; N193-S195 PolarHBondContact O-N 2.94Å; N193-S195 PolarHBondContact OD1-N 3.34Å; N193-S195 PolarHBondContact OD1-OG 3.11Å; N193-G196 PolarHBondContact O-N 2.69Å; N193-L197 PolarHBondContact ND2-O 3.28Å; N193-L197 VanDerWaalsContact ND2-O 3.09Å | ||
| 194 | S | 74.1 | Confident | 89.6 | Confident | 102 Ų | 102 | 71.9 Ų | 71.9 | 71% | 0.713 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -47.2 | 179.4 | 56.2 | 0 | 0 | 0 | 0 | 111.2 | K166 G196 | K166-S194 PolarHBondContact NZ-O 2.67Å; K166-S194 VanDerWaalsContact NZ-O 3.09Å; S194-G196 VanDerWaalsContact C-N 3.31Å; S194-G196 PolarHBondContact O-N 2.95Å |
| 195 | S | 80.3 | Confident | 89.5 | Confident | 72 Ų | 72 | 69.1 Ų | 69.1 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -7.9 | -178.6 | 65.2 | 0 | 0 | 0 | 0 | 115.7 | N193 L197 | N193-S195 VanDerWaalsContact C-N 3.31Å; N193-S195 PolarHBondContact ND2-OG 3.2Å; N193-S195 PolarHBondContact O-N 2.94Å; N193-S195 PolarHBondContact OD1-N 3.34Å; N193-S195 PolarHBondContact OD1-OG 3.11Å; S195-L197 PolarHBondContact O-N 3.44Å; S195-L197 WeakPolarHBondContact OG-CB 3.49Å; S195-L197 PolarHBondContact OG-N 3.14Å |
| 196 | G | 85.6 | Confident | 89.3 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | trans | 68.2 | 8.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L148 N193 S194 | L148-G196 WeakPolarHBondContact CB-O 3.24Å; L148-G196 PolarHBondContact N-O 2.63Å; N193-G196 PolarHBondContact O-N 2.69Å; S194-G196 VanDerWaalsContact C-N 3.31Å; S194-G196 PolarHBondContact O-N 2.95Å | ||
| 197 | L | 92.7 | Very high | 89.2 | Confident | 81 Ų | 81 | 66.4 Ų | 66.4 | 42% | 0.424 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 130.5 | 178.1 | -169.8 | 70.2 | 0 | 0 | 0 | 111.3 | V145 T147 N193 S195 | V145-L197 HydrophobicContact CG1-CD1 3.62Å; T147-L197 WeakPolarHBondContact OG1-CD1 3.34Å; N193-L197 PolarHBondContact ND2-O 3.28Å; N193-L197 VanDerWaalsContact ND2-O 3.09Å; S195-L197 PolarHBondContact O-N 3.44Å; S195-L197 WeakPolarHBondContact OG-CB 3.49Å; S195-L197 PolarHBondContact OG-N 3.14Å |
| 198 | F | 93.9 | Very high | 89.2 | Confident | 43 Ų | 43 | 67.3 Ų | 67.3 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 131.2 | 176.3 | -179.7 | -94.9 | 0 | 0 | 0 | 110.4 | V146 L176 I178 F189 V191 Y200 | V146-F198 PolarHBondContact N-O 3.39Å; V146-F198 PolarHBondContact O-N 3.19Å; L176-F198 HydrophobicContact CD2-CB 4.44Å; L176-F198 HydrophobicContact CD2-CD1 3.48Å; L176-F198 VanDerWaalsContact CD2-CD1 3.48Å; L176-F198 HydrophobicContact CD2-CE1 3.92Å; L176-F198 HydrophobicContact CD2-CG 4.1Å; I178-F198 HydrophobicContact CD1-CE1 4.19Å; F189-F198 HydrophobicContact CB-CE1 4.38Å; F189-F198 HydrophobicContact CB-CE2 4.03Å; F189-F198 HydrophobicContact CB-CZ 3.76Å; F189-F198 HydrophobicContact CD1-CE2 4.44Å; F189-F198 AromaticContact CD1-CZ 3.81Å; F189-F198 HydrophobicContact CD1-CZ 3.81Å; F189-F198 HydrophobicContact CD2-CE1 4.32Å; F189-F198 HydrophobicContact CD2-CZ 4.13Å; F189-F198 HydrophobicContact CE1-CZ 4.45Å; F189-F198 HydrophobicContact CG-CE1 4.23Å; F189-F198 HydrophobicContact CG-CE2 4.32Å; F189-F198 AromaticContact CG-CZ 3.62Å; F189-F198 HydrophobicContact CG-CZ 3.62Å; V191-F198 HydrophobicContact CG1-CB 4.14Å; V191-F198 HydrophobicContact CG2-CB 3.9Å; V191-F198 HydrophobicContact CG2-CD2 3.85Å; V191-F198 HydrophobicContact CG2-CG 3.96Å; F198-Y200 HydrophobicContact CE1-CD2 4.45Å |
| 199 | K | 93.6 | Very high | 89.2 | Confident | 74 Ų | 74 | 62 Ų | 62 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 115.1 | 178.2 | -167 | 165.5 | -179.9 | 169 | 0 | 110.3 | E140 A144 V145 | E140-K199 IonicContact OE1-NZ 2.85Å; E140-K199 PolarHBondContact OE1-NZ 3.18Å; E140-K199 WeakPolarHBondContact OE2-CE 3.5Å; E140-K199 IonicContact OE2-NZ 2.9Å; E140-K199 PolarHBondContact OE2-NZ 3.45Å; A144-K199 CarbonylContact O-C 3.54Å; A144-K199 WeakPolarHBondContact O-CA 3.43Å; V145-K199 HydrophobicContact CG2-CD 4.12Å; V145-K199 HydrophobicContact CG2-CG 4.18Å |
| 200 | Y | 93.4 | Very high | 89.3 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 117.9 | 175.1 | -175.8 | -116 | 0 | 0 | 0 | 109.3 | S143 A144 I178 F189 F198 M203 Y209 | S143-Y200 CarbonylContact C-O 3.59Å; S143-Y200 WeakPolarHBondContact CA-O 3.26Å; S143-Y200 WeakPolarHBondContact CB-O 3.24Å; A144-Y200 PolarHBondContact N-O 3.35Å; A144-Y200 PolarHBondContact O-N 3.4Å; I178-Y200 HydrophobicContact CD1-CD1 4.12Å; I178-Y200 HydrophobicContact CD1-CD2 3.75Å; I178-Y200 HydrophobicContact CD1-CE2 4.3Å; I178-Y200 HydrophobicContact CD1-CG 3.66Å; I178-Y200 HydrophobicContact CG2-CE1 4.35Å; F189-Y200 HydrophobicContact CE2-CD2 4.22Å; F189-Y200 HydrophobicContact CE2-CE2 4.07Å; F189-Y200 HydrophobicContact CZ-CD2 4.25Å; F189-Y200 AromaticContact CZ-CE2 3.93Å; F189-Y200 HydrophobicContact CZ-CE2 3.93Å; F198-Y200 HydrophobicContact CE1-CD2 4.45Å; Y200-M203 HydrophobicContact CD1-CG 3.7Å; Y200-M203 HydrophobicContact CD1-SD 3.97Å; Y200-M203 HydrophobicContact CE1-CG 3.81Å; Y200-M203 HydrophobicContact CE1-SD 4.43Å; Y200-Y209 HydrophobicContact CE1-CD1 4.22Å; Y200-Y209 AromaticContact CE1-CE1 3.68Å; Y200-Y209 HydrophobicContact CE1-CE1 3.68Å |
| 201 | H | 91.6 | Very high | 89.5 | Confident | 105 Ų | 105 | 56.3 Ų | 56.3 | 49% | 0.486 | 29% | 0.289 | S | S | . | . | trans | -99.7 | 163.1 | -173 | -68.3 | -75.8 | 0 | 0 | 0 | 112.9 | S143 | S143-H201 PolarHBondContact OG-ND1 3.41Š| ||
| 202 | M | 85.7 | Confident | 89.7 | Confident | 171 Ų | 171 | 56.2 Ų | 56.2 | 84% | 0.842 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 56.6 | 52.6 | 170 | -57.9 | 178.3 | 179.5 | 0 | 0 | 113.6 | N142 | N142-M202 PolarHBondContact O-N 2.91Š|
| 203 | M | 89.9 | Confident | 90.2 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.03 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 157 | 176.4 | -58.6 | -168.9 | -65 | 0 | 0 | 112 | I139 N142 A144 Y200 Y209 T234 | I139-M203 HydrophobicContact CG2-CE 4.3Å; N142-M203 PolarHBondContact ND2-O 3.2Å; N142-M203 PolarHBondContact O-N 3.46Å; N142-M203 PolarHBondContact OD1-O 3.49Å; A144-M203 HydrophobicContact CB-CE 3.95Å; A144-M203 HydrophobicContact CB-SD 3.63Å; Y200-M203 HydrophobicContact CD1-CG 3.7Å; Y200-M203 HydrophobicContact CD1-SD 3.97Å; Y200-M203 HydrophobicContact CE1-CG 3.81Å; Y200-M203 HydrophobicContact CE1-SD 4.43Å; M203-Y209 WeakPolarHBondContact CA-OH 3.48Å; M203-Y209 HydrophobicContact CB-CE2 3.9Å; M203-Y209 HydrophobicContact CG-CE2 4.44Å; M203-Y209 HydrophobicContact SD-CD2 4.47Å; M203-T234 HydrophobicContact CB-CG2 4.01Å; M203-T234 HydrophobicContact CE-CG2 3.63Å; M203-T234 HydrophobicContact SD-CG2 4.04Å |
| 204 | D | 88.9 | Confident | 90.8 | Very high | 25 Ų | 25 | 50.5 Ų | 50.5 | 13% | 0.134 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 128 | 167 | -66.1 | -50.7 | 0 | 0 | 0 | 108.6 | N180 R183 T207 Y209 T234 | N180-D204 PolarHBondContact ND2-OD2 2.98Å; R183-D204 IonicContact CZ-OD1 2.67Å; R183-D204 IonicContact CZ-OD2 3.24Å; R183-D204 IonicContact NE-OD1 3.8Å; R183-D204 IonicContact NE-OD2 2.8Å; R183-D204 PolarHBondContact NE-OD2 3.15Å; R183-D204 VanDerWaalsContact NH2-CG 3.35Å; R183-D204 IonicContact NH2-OD1 3.28Å; R183-D204 PolarHBondContact NH2-OD1 3.36Å; R183-D204 IonicContact NH2-OD2 2.81Å; R183-D204 PolarHBondContact NH2-OD2 3.48Å; D204-T207 HydrophobicContact CB-CG2 4.08Å; D204-T207 WeakPolarHBondContact CB-OG1 3.25Å; D204-T207 WeakPolarHBondContact O-CB 3.46Å; D204-Y209 HydrophobicContact CB-CE2 4.27Å; D204-Y209 PolarHBondContact N-OH 2.9Å; D204-Y209 PolarHBondContact OD2-OH 3.34Å; D204-T234 WeakPolarHBondContact O-CB 3.49Å; D204-T234 PolarHBondContact O-OG1 3.44Å |
| 205 | Y | 89 | Confident | 91.8 | Very high | 72 Ų | 72 | 45.7 Ų | 45.7 | 28% | 0.282 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 155.9 | 173.1 | -69.7 | -67.9 | 0 | 0 | 0 | 112.2 | N142 T207 T234 D237 | N142-Y205 HydrophobicContact CB-CE1 3.66Å; N142-Y205 VanDerWaalsContact CG-CE1 3.44Å; Y205-T207 PolarHBondContact O-N 2.81Å; Y205-T207 VanDerWaalsContact O-N 3.16Å; Y205-T207 PolarHBondContact O-OG1 3.45Å; Y205-T234 VanDerWaalsContact C-OG1 3.29Å; Y205-T234 WeakPolarHBondContact CA-OG1 3.46Å; Y205-D237 HydrophobicContact CD1-CB 4.48Å; Y205-D237 HydrophobicContact CD2-CB 3.67Å; Y205-D237 WeakPolarHBondContact CD2-OD2 3.36Å; Y205-D237 HydrophobicContact CE2-CB 4.35Å; Y205-D237 HydrophobicContact CG-CB 3.75Å |
| 206 | N | 88.7 | Confident | 92.2 | Very high | 97 Ų | 97 | 47.8 Ų | 47.8 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.9 | 46.6 | -179.2 | -166.6 | 88.3 | 0 | 0 | 0 | 112.7 | T234 P235 | N206-T234 PolarHBondContact N-OG1 3.15Å; N206-P235 PolarHBondContact N-O 3.49Å |
| 207 | T | 91.1 | Very high | 92.3 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | trans | -135.3 | 138.9 | -174.2 | -63.1 | 0 | 0 | 0 | 0 | 109.6 | R182 D204 Y205 Y209 T234 | R182-T207 HydrophobicContact CB-CG2 3.6Å; D204-T207 HydrophobicContact CB-CG2 4.08Å; D204-T207 WeakPolarHBondContact CB-OG1 3.25Å; D204-T207 WeakPolarHBondContact O-CB 3.46Å; Y205-T207 PolarHBondContact O-N 2.81Å; Y205-T207 VanDerWaalsContact O-N 3.16Å; Y205-T207 PolarHBondContact O-OG1 3.45Å; T207-Y209 HydrophobicContact CG2-CD2 4.13Å; T207-Y209 HydrophobicContact CG2-CE2 3.81Å; T207-T234 PolarHBondContact N-OG1 3.26Å; T207-T234 PolarHBondContact O-N 3.49Å; T207-T234 PolarHBondContact O-OG1 2.59Å; T207-T234 VanDerWaalsContact O-OG1 3.11Å | ||
| 208 | E | 93.9 | Very high | 91.7 | Very high | 76 Ų | 76 | 50.2 Ų | 50.2 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 133.2 | 174.2 | -176.6 | -172.3 | -128.2 | 0 | 0 | 111 | T181 C231 I232 | T181-E208 PolarHBondContact N-O 2.99Å; T181-E208 PolarHBondContact OG1-O 3.34Å; T181-E208 PolarHBondContact OG1-OE2 2.92Å; E208-C231 HydrophobicContact CG-CB 4.35Å; E208-I232 WeakPolarHBondContact CA-O 3.46Å |
| 209 | Y | 95.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 129.4 | 172.8 | -78.1 | -99.6 | 0 | 0 | 0 | 109.7 | I178 F179 N180 Y200 M203 D204 T207 C231 I232 T234 | I178-Y209 HydrophobicContact CG2-CD1 3.86Å; F179-Y209 CarbonylContact O-C 3.57Å; F179-Y209 VanDerWaalsContact O-CA 3.31Å; F179-Y209 WeakPolarHBondContact O-CA 3.19Å; N180-Y209 HydrophobicContact CB-CD1 4.06Å; N180-Y209 HydrophobicContact CB-CE1 3.77Å; N180-Y209 VanDerWaalsContact ND2-CZ 3.3Å; N180-Y209 PolarHBondContact ND2-OH 2.82Å; N180-Y209 VanDerWaalsContact ND2-OH 3.11Å; Y200-Y209 HydrophobicContact CE1-CD1 4.22Å; Y200-Y209 AromaticContact CE1-CE1 3.68Å; Y200-Y209 HydrophobicContact CE1-CE1 3.68Å; M203-Y209 WeakPolarHBondContact CA-OH 3.48Å; M203-Y209 HydrophobicContact CB-CE2 3.9Å; M203-Y209 HydrophobicContact CG-CE2 4.44Å; M203-Y209 HydrophobicContact SD-CD2 4.47Å; D204-Y209 HydrophobicContact CB-CE2 4.27Å; D204-Y209 PolarHBondContact N-OH 2.9Å; D204-Y209 PolarHBondContact OD2-OH 3.34Å; T207-Y209 HydrophobicContact CG2-CD2 4.13Å; T207-Y209 HydrophobicContact CG2-CE2 3.81Å; Y209-C231 WeakPolarHBondContact O-CA 3.35Å; Y209-I232 PolarHBondContact N-O 2.8Å; Y209-I232 PolarHBondContact O-N 3.16Å; Y209-T234 HydrophobicContact CD2-CG2 3.84Å; Y209-T234 HydrophobicContact CE2-CG2 4.04Å |
| 210 | C | 95.9 | Very high | 90.5 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.2 | 176.6 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | I178 F179 W229 H230 C231 | I178-C210 WeakPolarHBondContact CA-O 3.41Å; F179-C210 HydrophobicContact CB-CB 4.26Å; F179-C210 HydrophobicContact CD1-CB 4.28Å; F179-C210 PolarHBondContact N-O 3.07Å; F179-C210 PolarHBondContact O-N 3.13Å; C210-W229 HydrophobicContact CB-CB 4.4Å; C210-W229 HydrophobicContact CB-CD2 4.44Å; C210-W229 HydrophobicContact CB-CE3 3.77Å; C210-W229 HydrophobicContact CB-CZ3 4.46Å; C210-W229 WeakPolarHBondContact O-CZ3 3.29Å; C210-H230 WeakPolarHBondContact CA-O 3.29Å; C210-C231 HydrophobicContact CB-CB 4.1Å; C210-C231 WeakPolarHBondContact CB-SG 3.2Å; C210-C231 WeakPolarHBondContact SG-CB 3.19Å; C210-C231 CovalentContact SG-SG 2.04Å; C210-C231 PolarHBondContact SG-SG 2.93Å |
| 211 | F | 96.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 128 | -174.8 | -61.1 | -103.3 | 0 | 0 | 0 | 110.1 | V135 V137 A144 V146 L176 S177 I178 W229 H230 I232 | V135-F211 HydrophobicContact CG1-CB 4.24Å; V137-F211 HydrophobicContact CG1-CD2 4.26Å; V137-F211 HydrophobicContact CG1-CE1 4.4Å; V137-F211 HydrophobicContact CG1-CE2 4.07Å; V137-F211 HydrophobicContact CG1-CZ 4.14Å; V137-F211 HydrophobicContact CG2-CB 3.99Å; V137-F211 HydrophobicContact CG2-CD1 4.28Å; V137-F211 HydrophobicContact CG2-CD2 3.99Å; V137-F211 HydrophobicContact CG2-CG 3.83Å; A144-F211 HydrophobicContact CB-CE1 4.04Å; A144-F211 HydrophobicContact CB-CZ 3.69Å; V146-F211 HydrophobicContact CG2-CD1 3.65Å; V146-F211 HydrophobicContact CG2-CE1 3.63Å; L176-F211 HydrophobicContact CD1-CD1 4.49Å; S177-F211 WeakPolarHBondContact O-CA 3.29Å; I178-F211 HydrophobicContact CD1-CD1 4.13Å; I178-F211 HydrophobicContact CD1-CE1 3.8Å; I178-F211 HydrophobicContact CG1-CD1 3.84Å; I178-F211 HydrophobicContact CG1-CE1 3.94Å; I178-F211 HydrophobicContact CG2-CD1 4.27Å; I178-F211 HydrophobicContact CG2-CE1 3.91Å; I178-F211 HydrophobicContact CG2-CZ 4.19Å; F211-W229 WeakPolarHBondContact O-CA 3.35Å; F211-H230 PolarHBondContact N-O 2.7Å; F211-H230 PolarHBondContact O-N 3.42Å; F211-I232 HydrophobicContact CD2-CG1 4.15Å; F211-I232 HydrophobicContact CE2-CD1 3.76Å; F211-I232 HydrophobicContact CE2-CG1 3.62Å; F211-I232 HydrophobicContact CZ-CD1 4.35Å |
| 212 | S | 97.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 134.9 | 172.5 | 172.4 | 0 | 0 | 0 | 0 | 109.7 | S177 S227 W229 | S177-S212 WeakPolarHBondContact CA-O 3.45Å; S177-S212 VanDerWaalsContact CB-O 3.26Å; S177-S212 WeakPolarHBondContact CB-O 3.28Å; S177-S212 PolarHBondContact N-O 3.13Å; S177-S212 PolarHBondContact O-N 3.4Å; S177-S212 PolarHBondContact OG-O 3.27Å; S212-S227 WeakPolarHBondContact CA-OG 3.48Å; S212-S227 PolarHBondContact OG-O 2.93Å; S212-S227 PolarHBondContact OG-OG 2.86Å; S212-W229 VanDerWaalsContact CB-CE3 3.44Å |
| 213 | A | 96.3 | Very high | 90 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 149.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P133 V135 L148 N175 L176 S227 | P133-A213 WeakPolarHBondContact CD-O 3.14Å; P133-A213 HydrophobicContact CG-CB 3.77Å; P133-A213 VanDerWaalsContact CG-O 3.3Å; P133-A213 WeakPolarHBondContact CG-O 3.01Å; V135-A213 HydrophobicContact CG2-CB 3.79Å; L148-A213 HydrophobicContact CD1-CB 4.21Å; L148-A213 HydrophobicContact CD2-CB 3.71Å; N175-A213 WeakPolarHBondContact O-CA 3.28Å; L176-A213 HydrophobicContact CD1-CB 4.21Å; A213-S227 PolarHBondContact N-OG 2.02Å; A213-S227 PolarHBondContact O-N 3.1Å |
| 214 | K | 94.6 | Very high | 90.2 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 34% | 0.343 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144 | 169.6 | 64.7 | -175.5 | 176.1 | -175 | 0 | 111 | Y174 N175 | Y174-K214 WeakPolarHBondContact CA-O 3.43Å; N175-K214 HydrophobicContact CB-CG 4.12Å; N175-K214 PolarHBondContact N-O 3.23Å; N175-K214 PolarHBondContact O-N 3.45Å |
| 215 | S | 93.4 | Very high | 90.5 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 144.3 | 174.2 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | M172 S224 | M172-S215 VanDerWaalsContact CE-OG 3.31Å; M172-S215 WeakPolarHBondContact CE-OG 3.39Å; S215-S224 WeakPolarHBondContact O-CB 2.95Å; S215-S224 PolarHBondContact O-OG 2.75Å |
| 216 | R | 89.3 | Confident | 90.8 | Very high | 116 Ų | 116 | 54.9 Ų | 54.9 | 44% | 0.438 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 137.9 | 175.3 | -171 | 180 | -173.1 | -170.2 | -0.7 | 109.2 | S173 L218 | S173-R216 PolarHBondContact N-O 2.91Å; S173-R216 PolarHBondContact O-N 2.95Å; R216-L218 HydrophobicContact CG-CD2 4.44Å |
| 217 | Y | 88.7 | Confident | 91.2 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 12% | 0.122 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.1 | 167 | -173.6 | -121.1 | 0 | 0 | 0 | 106.9 | Y169 R171 S219 I220 L222 | Y169-Y217 AromaticContact CD1-CD1 3.86Å; Y169-Y217 HydrophobicContact CD1-CD1 3.86Å; Y169-Y217 HydrophobicContact CD1-CD2 4.12Å; Y169-Y217 AromaticContact CD1-CE1 3.75Å; Y169-Y217 HydrophobicContact CD1-CE1 3.75Å; Y169-Y217 HydrophobicContact CD1-CE2 4.03Å; Y169-Y217 HydrophobicContact CD1-CG 4.05Å; Y169-Y217 AromaticContact CD1-CZ 3.85Å; Y169-Y217 HydrophobicContact CE1-CD1 4.34Å; Y169-Y217 HydrophobicContact CE1-CE1 4.26Å; R171-Y217 HydrophobicContact CB-CD2 4.43Å; R171-Y217 HydrophobicContact CB-CE2 3.96Å; Y217-S219 VanDerWaalsContact CZ-OG 3.31Å; Y217-S219 PolarHBondContact OH-OG 2.89Å; Y217-I220 HydrophobicContact CD1-CB 3.99Å; Y217-I220 HydrophobicContact CD1-CG1 4.39Å; Y217-I220 HydrophobicContact CE1-CB 4.13Å; Y217-I220 HydrophobicContact CE1-CD1 4.26Å; Y217-I220 HydrophobicContact CE1-CG1 4.01Å; Y217-L222 HydrophobicContact CD1-CD1 4.08Å |
| 218 | L | 79.7 | Confident | 91.4 | Very high | 101 Ų | 101 | 56.8 Ų | 56.8 | 53% | 0.529 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -90.3 | -32.4 | -172.9 | -68.3 | 176.2 | 0 | 0 | 0 | 112.6 | R216 I220 | R216-L218 HydrophobicContact CG-CD2 4.44Å; L218-I220 VanDerWaalsContact C-N 3.34Å; L218-I220 PolarHBondContact O-N 3.28Å |
| 219 | S | 80.9 | Confident | 91.5 | Very high | 74 Ų | 74 | 58.8 Ų | 58.8 | 52% | 0.517 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -73.9 | -23.7 | -174.4 | -29.8 | 0 | 0 | 0 | 0 | 113.6 | Y217 | Y217-S219 VanDerWaalsContact CZ-OG 3.31Å; Y217-S219 PolarHBondContact OH-OG 2.89Å |
| 220 | I | 79.9 | Confident | 91.4 | Very high | 52 Ų | 52 | 62.9 Ų | 62.9 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -140.7 | 130.7 | 176.8 | -55.9 | 173.9 | 0 | 0 | 0 | 107.6 | Y217 L218 L222 | Y217-I220 HydrophobicContact CD1-CB 3.99Å; Y217-I220 HydrophobicContact CD1-CG1 4.39Å; Y217-I220 HydrophobicContact CE1-CB 4.13Å; Y217-I220 HydrophobicContact CE1-CD1 4.26Å; Y217-I220 HydrophobicContact CE1-CG1 4.01Å; L218-I220 VanDerWaalsContact C-N 3.34Å; L218-I220 PolarHBondContact O-N 3.28Å; I220-L222 HydrophobicContact CB-CG 4.16Å; I220-L222 HydrophobicContact CG2-CD2 3.91Å; I220-L222 HydrophobicContact CG2-CG 3.89Å; I220-L222 PolarHBondContact O-N 2.78Å |
| 221 | P | 81.8 | Confident | 91.4 | Very high | 131 Ų | 131 | 65.1 Ų | 65.1 | 85% | 0.851 | 34% | 0.344 | S | S | * | . | trans | -75.4 | 64.9 | 179 | 32.7 | -36.6 | 0 | 0 | 0 | 112 | ||||
| 222 | L | 87.4 | Confident | 91.2 | Very high | 24 Ų | 24 | 66.4 Ų | 66.4 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | trans | -67.6 | 144.1 | 178.4 | -67.9 | 172.4 | 0 | 0 | 0 | 111.5 | S126 F130 Y169 Y217 I220 | S126-L222 WeakPolarHBondContact O-CD2 3.42Å; F130-L222 HydrophobicContact CD2-CB 4.13Å; F130-L222 HydrophobicContact CD2-CD1 4.41Å; F130-L222 HydrophobicContact CE1-CD1 4.5Å; F130-L222 HydrophobicContact CE2-CB 3.81Å; F130-L222 HydrophobicContact CE2-CD1 3.45Å; F130-L222 VanDerWaalsContact CE2-CD1 3.45Å; F130-L222 HydrophobicContact CE2-CG 4.27Å; F130-L222 HydrophobicContact CZ-CD1 3.51Å; Y169-L222 HydrophobicContact CD1-CD1 4.16Å; Y169-L222 HydrophobicContact CE1-CD1 3.49Å; Y169-L222 VanDerWaalsContact CE1-CD1 3.49Å; Y217-L222 HydrophobicContact CD1-CD1 4.08Å; I220-L222 HydrophobicContact CB-CG 4.16Å; I220-L222 HydrophobicContact CG2-CD2 3.91Å; I220-L222 HydrophobicContact CG2-CG 3.89Å; I220-L222 PolarHBondContact O-N 2.78Å | ||
| 223 | K | 91.8 | Very high | 91 | Very high | 159 Ų | 159 | 70.4 Ų | 70.4 | 69% | 0.691 | 38% | 0.375 | S | S | * | . | trans | -70.9 | 138 | 172.7 | -66.6 | 175.1 | -177.8 | 173.6 | 0 | 109.3 | I129 F130 | I129-K223 WeakPolarHBondContact CA-O 3.37Å; I129-K223 HydrophobicContact CG1-CB 4.15Å; I129-K223 HydrophobicContact CG2-CB 4.16Å; I129-K223 WeakPolarHBondContact CG2-O 3.42Å; F130-K223 PolarHBondContact N-O 2.78Å | ||
| 224 | S | 93.8 | Very high | 90.8 | Very high | 38 Ų | 38 | 70.6 Ų | 70.6 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -134.7 | 146.7 | 174.2 | 59.9 | 0 | 0 | 0 | 0 | 111.9 | F130 S215 | F130-S224 WeakPolarHBondContact O-CA 3.37Å; S215-S224 WeakPolarHBondContact O-CB 2.95Å; S215-S224 PolarHBondContact O-OG 2.75Å |
| 225 | L | 95.1 | Very high | 90.4 | Very high | 87 Ų | 87 | 69.6 Ų | 69.6 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 140.3 | 172.4 | -58.6 | 178.9 | 0 | 0 | 0 | 109.5 | I129 F130 | I129-L225 HydrophobicContact CG2-CD2 4.46Å; I129-L225 HydrophobicContact CG2-CG 4.1Å; F130-L225 PolarHBondContact O-N 2.94Å |
| 226 | S | 95.1 | Very high | 90.1 | Very high | 66 Ų | 66 | 75.3 Ų | 75.3 | 46% | 0.462 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -79 | 146.6 | 169.4 | -58.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 227 | S | 96.9 | Very high | 89.9 | Confident | 13 Ų | 13 | 71.7 Ų | 71.7 | 9% | 0.091 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 157.1 | 166.1 | 78.3 | 0 | 0 | 0 | 0 | 110.9 | P133 V135 S212 A213 | P133-S227 WeakPolarHBondContact O-CB 3.41Å; V135-S227 WeakPolarHBondContact CG2-OG 3.39Å; S212-S227 WeakPolarHBondContact CA-OG 3.48Å; S212-S227 PolarHBondContact OG-O 2.93Å; S212-S227 PolarHBondContact OG-OG 2.86Å; A213-S227 PolarHBondContact N-OG 2.02Å; A213-S227 PolarHBondContact O-N 3.1Å |
| 228 | V | 95.6 | Very high | 89.7 | Confident | 131 Ų | 131 | 73.4 Ų | 73.4 | 79% | 0.794 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 147.7 | 162.5 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | H230 | V228-H230 PolarHBondContact O-N 2.92Š|
| 229 | W | 95.7 | Very high | 90 | Very high | 118 Ų | 118 | 73.4 Ų | 73.4 | 45% | 0.447 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 121.5 | 172.6 | -69.4 | 100.6 | 0 | 0 | 0 | 110.2 | S177 F179 V186 C210 F211 S212 | S177-W229 WeakPolarHBondContact O-CZ3 3.46Å; F179-W229 HydrophobicContact CB-CE3 4.47Å; F179-W229 HydrophobicContact CB-CH2 4.08Å; F179-W229 HydrophobicContact CB-CZ3 3.81Å; V186-W229 HydrophobicContact CG1-CH2 4.28Å; C210-W229 HydrophobicContact CB-CB 4.4Å; C210-W229 HydrophobicContact CB-CD2 4.44Å; C210-W229 HydrophobicContact CB-CE3 3.77Å; C210-W229 HydrophobicContact CB-CZ3 4.46Å; C210-W229 WeakPolarHBondContact O-CZ3 3.29Å; F211-W229 WeakPolarHBondContact O-CA 3.35Å; S212-W229 VanDerWaalsContact CB-CE3 3.44Å |
| 230 | H | 94.8 | Very high | 90.2 | Very high | 86 Ų | 86 | 75 Ų | 75 | 40% | 0.398 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 111.2 | 171 | -174.4 | 77.8 | 0 | 0 | 0 | 108.7 | C210 F211 V228 | C210-H230 WeakPolarHBondContact CA-O 3.29Å; F211-H230 PolarHBondContact N-O 2.7Å; F211-H230 PolarHBondContact O-N 3.42Å; V228-H230 PolarHBondContact O-N 2.92Å |
| 231 | C | 95.1 | Very high | 90.6 | Very high | 57 Ų | 57 | 75 Ų | 75 | 39% | 0.385 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134.7 | -176.1 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | E208 Y209 C210 | E208-C231 HydrophobicContact CG-CB 4.35Å; Y209-C231 WeakPolarHBondContact O-CA 3.35Å; C210-C231 HydrophobicContact CB-CB 4.1Å; C210-C231 WeakPolarHBondContact CB-SG 3.2Å; C210-C231 WeakPolarHBondContact SG-CB 3.19Å; C210-C231 CovalentContact SG-SG 2.04Å; C210-C231 PolarHBondContact SG-SG 2.93Å |
| 232 | I | 93.2 | Very high | 90.9 | Very high | 26 Ų | 26 | 74.2 Ų | 74.2 | 13% | 0.133 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 147 | 176 | 51 | 154.8 | 0 | 0 | 0 | 109.8 | V137 I139 E208 Y209 F211 | V137-I232 HydrophobicContact CB-CD1 4.38Å; V137-I232 HydrophobicContact CG1-CD1 3.55Å; V137-I232 HydrophobicContact CG1-CG1 4.38Å; I139-I232 HydrophobicContact CD1-CB 4.45Å; I139-I232 HydrophobicContact CD1-CD1 3.8Å; I139-I232 HydrophobicContact CG1-CD1 3.63Å; E208-I232 WeakPolarHBondContact CA-O 3.46Å; Y209-I232 PolarHBondContact N-O 2.8Å; Y209-I232 PolarHBondContact O-N 3.16Å; F211-I232 HydrophobicContact CD2-CG1 4.15Å; F211-I232 HydrophobicContact CE2-CD1 3.76Å; F211-I232 HydrophobicContact CE2-CG1 3.62Å; F211-I232 HydrophobicContact CZ-CD1 4.35Å |
| 233 | T | 92.1 | Very high | 91.1 | Very high | 88 Ų | 88 | 78.4 Ų | 78.4 | 54% | 0.54 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 130.4 | 173 | -56.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 234 | T | 91.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 76.4 Ų | 76.4 | 3% | 0.025 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 150.5 | 176.1 | 56.7 | 0 | 0 | 0 | 0 | 111.4 | M203 D204 Y205 N206 T207 Y209 | M203-T234 HydrophobicContact CB-CG2 4.01Å; M203-T234 HydrophobicContact CE-CG2 3.63Å; M203-T234 HydrophobicContact SD-CG2 4.04Å; D204-T234 WeakPolarHBondContact O-CB 3.49Å; D204-T234 PolarHBondContact O-OG1 3.44Å; Y205-T234 VanDerWaalsContact C-OG1 3.29Å; Y205-T234 WeakPolarHBondContact CA-OG1 3.46Å; N206-T234 PolarHBondContact N-OG1 3.15Å; T207-T234 PolarHBondContact N-OG1 3.26Å; T207-T234 PolarHBondContact O-N 3.49Å; T207-T234 PolarHBondContact O-OG1 2.59Å; T207-T234 VanDerWaalsContact O-OG1 3.11Å; Y209-T234 HydrophobicContact CD2-CG2 3.84Å; Y209-T234 HydrophobicContact CE2-CG2 4.04Å |
| 235 | P | 87.7 | Confident | 90.7 | Very high | 58 Ų | 58 | 80.5 Ų | 80.5 | 38% | 0.377 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 162.4 | 177.6 | 24.9 | -34.8 | 0 | 0 | 0 | 111.9 | N141 N206 | N141-P235 WeakPolarHBondContact O-CG 3.46Å; N206-P235 PolarHBondContact N-O 3.49Å |
| 236 | Q | 85.6 | Confident | 90.6 | Very high | 122 Ų | 122 | 79.7 Ų | 79.7 | 57% | 0.57 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 147.7 | 170.2 | -70 | -174.9 | -13.2 | 0 | 0 | 110.7 | V241 | Q236-V241 HydrophobicContact CB-CG2 3.84Š|
| 237 | D | 85.3 | Confident | 90.5 | Very high | 39 Ų | 39 | 79.4 Ų | 79.4 | 21% | 0.209 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 120.2 | 177.9 | -174.9 | -31 | 0 | 0 | 0 | 109.7 | Y205 V239 I240 V241 | Y205-D237 HydrophobicContact CD1-CB 4.48Å; Y205-D237 HydrophobicContact CD2-CB 3.67Å; Y205-D237 WeakPolarHBondContact CD2-OD2 3.36Å; Y205-D237 HydrophobicContact CE2-CB 4.35Å; Y205-D237 HydrophobicContact CG-CB 3.75Å; D237-V239 PolarHBondContact O-N 2.9Å; D237-V239 VanDerWaalsContact OD1-CB 3.29Å; D237-V239 WeakPolarHBondContact OD1-CB 3.31Å; D237-V239 PolarHBondContact OD1-N 3.2Å; D237-I240 HydrophobicContact CB-CB 4.07Å; D237-I240 HydrophobicContact CB-CD1 3.83Å; D237-I240 HydrophobicContact CB-CG1 3.81Å; D237-I240 PolarHBondContact O-N 3.48Å; D237-I240 VanDerWaalsContact O-N 3.09Å; D237-V241 WeakPolarHBondContact O-CG2 3.43Å; D237-V241 PolarHBondContact O-N 2.84Å |
| 238 | P | 85.2 | Confident | 90.3 | Very high | 68 Ų | 68 | 83.3 Ų | 83.3 | 44% | 0.442 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.1 | -28.5 | -178.5 | 25.7 | -34.4 | 0 | 0 | 0 | 112.4 | Q242 | P238-Q242 WeakPolarHBondContact O-CB 3.31Å; P238-Q242 WeakPolarHBondContact O-CG 3.42Å; P238-Q242 PolarHBondContact O-N 2.88Å |
| 239 | V | 86.7 | Confident | 90.1 | Very high | 100 Ų | 100 | 79.4 Ų | 79.4 | 61% | 0.606 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -69.1 | -41.4 | 176.6 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | D237 L243 | D237-V239 PolarHBondContact O-N 2.9Å; D237-V239 VanDerWaalsContact OD1-CB 3.29Å; D237-V239 WeakPolarHBondContact OD1-CB 3.31Å; D237-V239 PolarHBondContact OD1-N 3.2Å; V239-L243 VanDerWaalsContact O-CB 3.25Å; V239-L243 WeakPolarHBondContact O-CB 3.39Å; V239-L243 PolarHBondContact O-N 2.86Å |
| 240 | I | 85.1 | Confident | 90 | Very high | 107 Ų | 107 | 79.1 Ų | 79.1 | 55% | 0.549 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.8 | -43.1 | 176.8 | -60.9 | 179.9 | 0 | 0 | 0 | 110.4 | D237 L243 Q244 | D237-I240 HydrophobicContact CB-CB 4.07Å; D237-I240 HydrophobicContact CB-CD1 3.83Å; D237-I240 HydrophobicContact CB-CG1 3.81Å; D237-I240 PolarHBondContact O-N 3.48Å; D237-I240 VanDerWaalsContact O-N 3.09Å; I240-L243 PolarHBondContact O-N 2.85Å; I240-Q244 WeakPolarHBondContact O-CB 3.3Å; I240-Q244 PolarHBondContact O-N 2.71Å |
| 241 | V | 87.3 | Confident | 89.9 | Confident | 53 Ų | 53 | 78.5 Ų | 78.5 | 32% | 0.321 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 177.1 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | Q236 D237 Q244 Q245 | Q236-V241 HydrophobicContact CB-CG2 3.84Å; D237-V241 WeakPolarHBondContact O-CG2 3.43Å; D237-V241 PolarHBondContact O-N 2.84Å; V241-Q244 PolarHBondContact O-N 3.25Å; V241-Q245 WeakPolarHBondContact O-CB 3.14Å; V241-Q245 PolarHBondContact O-N 2.85Å |
| 242 | Q | 88.9 | Confident | 89.9 | Confident | 115 Ų | 115 | 79.3 Ų | 79.3 | 54% | 0.537 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 176.2 | -72.4 | -66.7 | -33.3 | 0 | 0 | 112 | P238 Q245 V246 | P238-Q242 WeakPolarHBondContact O-CB 3.31Å; P238-Q242 WeakPolarHBondContact O-CG 3.42Å; P238-Q242 PolarHBondContact O-N 2.88Å; Q242-Q245 PolarHBondContact O-N 2.84Å; Q242-V246 WeakPolarHBondContact O-CG2 3.2Å; Q242-V246 PolarHBondContact O-N 2.67Å |
| 243 | L | 90.8 | Very high | 89.9 | Confident | 112 Ų | 112 | 80.6 Ų | 80.6 | 59% | 0.586 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.1 | -41.4 | 178.3 | -169.8 | 151.1 | 0 | 0 | 0 | 111.5 | V239 I240 Q245 V246 V247 | V239-L243 VanDerWaalsContact O-CB 3.25Å; V239-L243 WeakPolarHBondContact O-CB 3.39Å; V239-L243 PolarHBondContact O-N 2.86Å; I240-L243 PolarHBondContact O-N 2.85Å; L243-Q245 VanDerWaalsContact C-N 3.35Å; L243-V246 PolarHBondContact O-N 2.88Å; L243-V247 HydrophobicContact CD2-CG2 4.11Å; L243-V247 WeakPolarHBondContact O-CG2 3.46Å; L243-V247 PolarHBondContact O-N 2.87Å |
| 244 | Q | 88.1 | Confident | 90 | Very high | 117 Ų | 117 | 79.6 Ų | 79.6 | 55% | 0.547 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 172.8 | -177.5 | 174.7 | -14.6 | 0 | 0 | 111.5 | I240 V241 V247 V248 | I240-Q244 WeakPolarHBondContact O-CB 3.3Å; I240-Q244 PolarHBondContact O-N 2.71Å; V241-Q244 PolarHBondContact O-N 3.25Å; Q244-V247 PolarHBondContact O-N 3.16Å; Q244-V248 HydrophobicContact CG-CG2 4.46Å; Q244-V248 WeakPolarHBondContact O-CB 3.43Å; Q244-V248 WeakPolarHBondContact O-CG2 3.21Å; Q244-V248 PolarHBondContact O-N 3.23Å |
| 245 | Q | 90.1 | Very high | 90.2 | Very high | 123 Ų | 123 | 84.1 Ų | 84.1 | 58% | 0.575 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.4 | -36.9 | 176.6 | -172.4 | 172.8 | -4.8 | 0 | 0 | 112.4 | V241 Q242 L243 G249 | V241-Q245 WeakPolarHBondContact O-CB 3.14Å; V241-Q245 PolarHBondContact O-N 2.85Å; Q242-Q245 PolarHBondContact O-N 2.84Å; L243-Q245 VanDerWaalsContact C-N 3.35Å; Q245-G249 WeakPolarHBondContact O-CA 3.25Å; Q245-G249 PolarHBondContact O-N 2.84Å |
| 246 | V | 92.4 | Very high | 90.5 | Very high | 70 Ų | 70 | 84.3 Ų | 84.3 | 42% | 0.424 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 173 | 166.7 | 0 | 0 | 0 | 0 | 111.6 | Q242 L243 I250 V251 | Q242-V246 WeakPolarHBondContact O-CG2 3.2Å; Q242-V246 PolarHBondContact O-N 2.67Å; L243-V246 PolarHBondContact O-N 2.88Å; V246-I250 HydrophobicContact CG1-CD1 4.42Å; V246-I250 WeakPolarHBondContact O-CA 3.49Å; V246-I250 WeakPolarHBondContact O-CB 3.5Å; V246-I250 PolarHBondContact O-N 3.21Å; V246-V251 PolarHBondContact O-N 3.14Å |
| 247 | V | 92.5 | Very high | 91 | Very high | 61 Ų | 61 | 83.5 Ų | 83.5 | 37% | 0.37 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -63.7 | -47.5 | 177.9 | 170 | 0 | 0 | 0 | 0 | 111.1 | L243 Q244 V251 V252 | L243-V247 HydrophobicContact CD2-CG2 4.11Å; L243-V247 WeakPolarHBondContact O-CG2 3.46Å; L243-V247 PolarHBondContact O-N 2.87Å; Q244-V247 PolarHBondContact O-N 3.16Å; V247-V251 WeakPolarHBondContact O-CB 3.36Å; V247-V251 PolarHBondContact O-N 3.46Å; V247-V252 PolarHBondContact O-N 2.7Å |
| 248 | V | 93.4 | Very high | 91.5 | Very high | 94 Ų | 94 | 84.9 Ų | 84.9 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | I | π-helix | trans | -73.7 | -35.4 | -179.4 | 175.7 | 0 | 0 | 0 | 0 | 112.3 | Q244 P253 | Q244-V248 HydrophobicContact CG-CG2 4.46Å; Q244-V248 WeakPolarHBondContact O-CB 3.43Å; Q244-V248 WeakPolarHBondContact O-CG2 3.21Å; Q244-V248 PolarHBondContact O-N 3.23Å; V248-P253 VanDerWaalsContact O-CD 3.25Å; V248-P253 WeakPolarHBondContact O-CD 3.36Å |
| 249 | G | 91.9 | Very high | 92 | Very high | 50 Ų | 50 | 85.8 Ų | 85.8 | 52% | 0.515 | 49% | 0.489 | S | S | . | . | I | π-helix | trans | -88.1 | -24.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q245 | Q245-G249 WeakPolarHBondContact O-CA 3.25Å; Q245-G249 PolarHBondContact O-N 2.84Å |
| 250 | I | 92.3 | Very high | 92.4 | Very high | 112 Ų | 112 | 86.1 Ų | 86.1 | 57% | 0.574 | 49% | 0.486 | S | S | * | . | I | π-helix | trans | -122.2 | -53.8 | -175.9 | -53.8 | -178.7 | 0 | 0 | 0 | 111.4 | V246 S254 | V246-I250 HydrophobicContact CG1-CD1 4.42Å; V246-I250 WeakPolarHBondContact O-CA 3.49Å; V246-I250 WeakPolarHBondContact O-CB 3.5Å; V246-I250 PolarHBondContact O-N 3.21Å; I250-S254 WeakPolarHBondContact O-CB 3.5Å; I250-S254 PolarHBondContact O-N 2.74Å; I250-S254 VanDerWaalsContact O-N 3.08Å |
| 251 | V | 93.3 | Very high | 92.9 | Very high | 72 Ų | 72 | 86.8 Ų | 86.8 | 44% | 0.436 | 49% | 0.488 | S | S | . | . | I | π-helix | trans | -68.8 | -48.7 | -171 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | V246 V247 L255 | V246-V251 PolarHBondContact O-N 3.14Å; V247-V251 WeakPolarHBondContact O-CB 3.36Å; V247-V251 PolarHBondContact O-N 3.46Å; V251-L255 PolarHBondContact O-N 3.47Å |
| 252 | V | 94.2 | Very high | 93.3 | Very high | 74 Ų | 74 | 89.5 Ų | 89.5 | 45% | 0.448 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -49.5 | 180 | 172 | 0 | 0 | 0 | 0 | 112.2 | V247 S254 L255 C256 | V247-V252 PolarHBondContact O-N 2.7Å; V252-S254 VanDerWaalsContact C-N 3.35Å; V252-S254 PolarHBondContact O-N 2.9Å; V252-L255 WeakPolarHBondContact O-CB 3.25Å; V252-L255 PolarHBondContact O-N 2.85Å; V252-C256 PolarHBondContact O-N 2.86Å; V252-C256 PolarHBondContact O-SG 3.43Å; V252-C256 VanDerWaalsContact O-SG 3.37Å |
| 253 | P | 94.6 | Very high | 93.6 | Very high | 54 Ų | 54 | 89.1 Ų | 89.1 | 35% | 0.351 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -38.3 | 177.1 | -26.6 | 37.3 | 0 | 0 | 0 | 113.5 | V248 C256 I257 | V248-P253 VanDerWaalsContact O-CD 3.25Å; V248-P253 WeakPolarHBondContact O-CD 3.36Å; P253-C256 PolarHBondContact O-N 2.86Å; P253-I257 VanDerWaalsContact O-CG1 3.3Å; P253-I257 WeakPolarHBondContact O-CG1 3.45Å; P253-I257 PolarHBondContact O-N 2.98Å |
| 254 | S | 93.3 | Very high | 93.7 | Very high | 66 Ų | 66 | 86.4 Ų | 86.4 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | I250 V252 C256 I257 C258 | I250-S254 WeakPolarHBondContact O-CB 3.5Å; I250-S254 PolarHBondContact O-N 2.74Å; I250-S254 VanDerWaalsContact O-N 3.08Å; V252-S254 VanDerWaalsContact C-N 3.35Å; V252-S254 PolarHBondContact O-N 2.9Å; S254-C256 PolarHBondContact O-N 2.67Å; S254-I257 PolarHBondContact O-N 2.72Å; S254-C258 PolarHBondContact O-N 3.41Å; S254-C258 PolarHBondContact O-SG 3.04Å; S254-C258 VanDerWaalsContact O-SG 3.35Å |
| 255 | L | 95.1 | Very high | 94 | Very high | 99 Ų | 99 | 87.4 Ų | 87.4 | 52% | 0.518 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 173.9 | -106.9 | 162.5 | 0 | 0 | 0 | 112.4 | V251 V252 C258 I259 | V251-L255 PolarHBondContact O-N 3.47Å; V252-L255 WeakPolarHBondContact O-CB 3.25Å; V252-L255 PolarHBondContact O-N 2.85Å; L255-C258 PolarHBondContact O-N 3.06Å; L255-I259 VanDerWaalsContact O-CG1 3.3Å; L255-I259 WeakPolarHBondContact O-CG1 3.33Å; L255-I259 PolarHBondContact O-N 2.89Å |
| 256 | C | 94.8 | Very high | 94.1 | Very high | 63 Ų | 63 | 86.8 Ų | 86.8 | 43% | 0.426 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.8 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | V252 P253 S254 I259 I260 | V252-C256 PolarHBondContact O-N 2.86Å; V252-C256 PolarHBondContact O-SG 3.43Å; V252-C256 VanDerWaalsContact O-SG 3.37Å; P253-C256 PolarHBondContact O-N 2.86Å; S254-C256 PolarHBondContact O-N 2.67Å; C256-I259 PolarHBondContact O-N 2.71Å; C256-I260 WeakPolarHBondContact O-CD1 3.21Å; C256-I260 VanDerWaalsContact O-CG1 3.27Å; C256-I260 WeakPolarHBondContact O-CG1 3.37Å; C256-I260 PolarHBondContact O-N 3.36Å |
| 257 | I | 95.6 | Very high | 94 | Very high | 104 Ų | 104 | 88.2 Ų | 88.2 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 177 | -68.3 | 163 | 0 | 0 | 0 | 110.6 | P253 S254 I259 I260 M261 | P253-I257 VanDerWaalsContact O-CG1 3.3Å; P253-I257 WeakPolarHBondContact O-CG1 3.45Å; P253-I257 PolarHBondContact O-N 2.98Å; S254-I257 PolarHBondContact O-N 2.72Å; I257-I259 VanDerWaalsContact C-N 3.33Å; I257-I259 PolarHBondContact O-N 2.91Å; I257-I260 PolarHBondContact O-N 2.82Å; I257-M261 HydrophobicContact CG2-CG 4.39Å; I257-M261 WeakPolarHBondContact O-CG 3.39Å; I257-M261 PolarHBondContact O-N 3.4Å |
| 258 | C | 95.5 | Very high | 94 | Very high | 68 Ų | 68 | 92.3 Ų | 92.3 | 46% | 0.459 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -41.9 | 175.7 | -72.7 | 0 | 0 | 0 | 0 | 112.4 | S254 L255 M261 L262 | S254-C258 PolarHBondContact O-N 3.41Å; S254-C258 PolarHBondContact O-SG 3.04Å; S254-C258 VanDerWaalsContact O-SG 3.35Å; L255-C258 PolarHBondContact O-N 3.06Å; C258-M261 PolarHBondContact O-N 2.82Å; C258-L262 WeakPolarHBondContact O-CG 3.19Å; C258-L262 PolarHBondContact O-N 3.4Å |
| 259 | I | 95.4 | Very high | 93.6 | Very high | 88 Ų | 88 | 91 Ų | 91 | 45% | 0.451 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 175.5 | -68.8 | 163.8 | 0 | 0 | 0 | 111 | L255 C256 I257 M261 L262 L263 | L255-I259 VanDerWaalsContact O-CG1 3.3Å; L255-I259 WeakPolarHBondContact O-CG1 3.33Å; L255-I259 PolarHBondContact O-N 2.89Å; C256-I259 PolarHBondContact O-N 2.71Å; I257-I259 VanDerWaalsContact C-N 3.33Å; I257-I259 PolarHBondContact O-N 2.91Å; I259-M261 VanDerWaalsContact C-N 3.33Å; I259-M261 PolarHBondContact O-N 3.3Å; I259-L262 PolarHBondContact O-N 3.11Å; I259-L263 HydrophobicContact CG2-CD1 3.89Å; I259-L263 HydrophobicContact CG2-CG 4.39Å; I259-L263 WeakPolarHBondContact O-CB 3.35Å; I259-L263 VanDerWaalsContact O-CG 3.31Å; I259-L263 WeakPolarHBondContact O-CG 3.26Å; I259-L263 PolarHBondContact O-N 3.48Å |
| 260 | I | 96 | Very high | 93.2 | Very high | 107 Ų | 107 | 97.1 Ų | 97.1 | 55% | 0.549 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 176.6 | -69.2 | 163 | 0 | 0 | 0 | 111.2 | C256 I257 L263 S264 | C256-I260 WeakPolarHBondContact O-CD1 3.21Å; C256-I260 VanDerWaalsContact O-CG1 3.27Å; C256-I260 WeakPolarHBondContact O-CG1 3.37Å; C256-I260 PolarHBondContact O-N 3.36Å; I257-I260 PolarHBondContact O-N 2.82Å; I260-L263 PolarHBondContact O-N 2.96Å; I260-S264 WeakPolarHBondContact O-CB 3.45Å; I260-S264 PolarHBondContact O-N 2.95Å; I260-S264 PolarHBondContact O-OG 2.86Å |
| 261 | M | 95.6 | Very high | 92.7 | Very high | 121 Ų | 121 | 98 Ų | 98 | 60% | 0.596 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.7 | -35.1 | 177.3 | -70.2 | -60.8 | -66.4 | 0 | 0 | 113.1 | I257 C258 I259 S264 Y265 | I257-M261 HydrophobicContact CG2-CG 4.39Å; I257-M261 WeakPolarHBondContact O-CG 3.39Å; I257-M261 PolarHBondContact O-N 3.4Å; C258-M261 PolarHBondContact O-N 2.82Å; I259-M261 VanDerWaalsContact C-N 3.33Å; I259-M261 PolarHBondContact O-N 3.3Å; M261-S264 WeakPolarHBondContact CA-OG 3.32Å; M261-S264 PolarHBondContact O-OG 3.38Å; M261-S264 VanDerWaalsContact O-OG 3.11Å; M261-Y265 VanDerWaalsContact O-CB 3.28Å; M261-Y265 WeakPolarHBondContact O-CB 3.44Å; M261-Y265 PolarHBondContact O-N 2.91Å |
| 262 | L | 95.6 | Very high | 91.8 | Very high | 110 Ų | 110 | 97.4 Ų | 97.4 | 58% | 0.576 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.8 | -42.5 | 172.8 | -72.3 | 168.6 | 0 | 0 | 0 | 111.6 | C258 I259 Y265 L266 | C258-L262 WeakPolarHBondContact O-CG 3.19Å; C258-L262 PolarHBondContact O-N 3.4Å; I259-L262 PolarHBondContact O-N 3.11Å; L262-Y265 PolarHBondContact O-N 3.3Å; L262-L266 WeakPolarHBondContact O-CB 3.25Å; L262-L266 VanDerWaalsContact O-CG 3.28Å; L262-L266 WeakPolarHBondContact O-CG 3.36Å; L262-L266 PolarHBondContact O-N 3.12Å |
| 263 | L | 95.3 | Very high | 90.4 | Very high | 107 Ų | 107 | 96.2 Ų | 96.2 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.5 | -40.6 | 176.5 | -71 | 171.6 | 0 | 0 | 0 | 112.1 | I259 I260 L266 L267 | I259-L263 HydrophobicContact CG2-CD1 3.89Å; I259-L263 HydrophobicContact CG2-CG 4.39Å; I259-L263 WeakPolarHBondContact O-CB 3.35Å; I259-L263 VanDerWaalsContact O-CG 3.31Å; I259-L263 WeakPolarHBondContact O-CG 3.26Å; I259-L263 PolarHBondContact O-N 3.48Å; I260-L263 PolarHBondContact O-N 2.96Å; L263-L266 PolarHBondContact O-N 3.01Å; L263-L267 VanDerWaalsContact O-CB 3.32Å; L263-L267 WeakPolarHBondContact O-CB 3.33Å; L263-L267 PolarHBondContact O-N 3Å |
| 264 | S | 93.3 | Very high | 88.9 | Confident | 55 Ų | 55 | 104.1 Ų | 104.1 | 39% | 0.385 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69 | -36.3 | 176.6 | 70.4 | 0 | 0 | 0 | 0 | 112.2 | I260 M261 L267 Y268 | I260-S264 WeakPolarHBondContact O-CB 3.45Å; I260-S264 PolarHBondContact O-N 2.95Å; I260-S264 PolarHBondContact O-OG 2.86Å; M261-S264 WeakPolarHBondContact CA-OG 3.32Å; M261-S264 PolarHBondContact O-OG 3.38Å; M261-S264 VanDerWaalsContact O-OG 3.11Å; S264-L267 PolarHBondContact O-N 3.46Å; S264-Y268 VanDerWaalsContact O-CB 3.27Å; S264-Y268 WeakPolarHBondContact O-CB 3.22Å; S264-Y268 PolarHBondContact O-N 2.86Å |
| 265 | Y | 94.2 | Very high | 87.3 | Confident | 137 Ų | 137 | 104.5 Ų | 104.5 | 54% | 0.537 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.1 | -43.5 | 172.3 | 177.5 | -105.2 | 0 | 0 | 0 | 112.7 | M261 L262 Y268 N269 | M261-Y265 VanDerWaalsContact O-CB 3.28Å; M261-Y265 WeakPolarHBondContact O-CB 3.44Å; M261-Y265 PolarHBondContact O-N 2.91Å; L262-Y265 PolarHBondContact O-N 3.3Å; Y265-Y268 PolarHBondContact O-N 3.18Å; Y265-N269 WeakPolarHBondContact CE1-ND2 3.38Å; Y265-N269 PolarHBondContact O-N 3.14Å; Y265-N269 PolarHBondContact OH-ND2 2.94Å; Y265-N269 VanDerWaalsContact OH-ND2 3.15Å |
| 266 | L | 91.5 | Very high | 85.1 | Confident | 110 Ų | 110 | 110.9 Ų | 110.9 | 58% | 0.576 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.2 | -41.8 | 175.2 | -71.9 | 170.4 | 0 | 0 | 0 | 111.8 | L262 L263 N269 Y270 | L262-L266 WeakPolarHBondContact O-CB 3.25Å; L262-L266 VanDerWaalsContact O-CG 3.28Å; L262-L266 WeakPolarHBondContact O-CG 3.36Å; L262-L266 PolarHBondContact O-N 3.12Å; L263-L266 PolarHBondContact O-N 3.01Å; L266-N269 PolarHBondContact O-N 3Å; L266-Y270 WeakPolarHBondContact O-CB 3.18Å; L266-Y270 PolarHBondContact O-N 3.05Å |
| 267 | L | 90.8 | Very high | 82.9 | Confident | 101 Ų | 101 | 112.6 Ų | 112.6 | 53% | 0.529 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64 | -41.7 | 174 | -178.8 | 61.9 | 0 | 0 | 0 | 111.8 | L263 S264 Y270 L271 | L263-L267 VanDerWaalsContact O-CB 3.32Å; L263-L267 WeakPolarHBondContact O-CB 3.33Å; L263-L267 PolarHBondContact O-N 3Å; S264-L267 PolarHBondContact O-N 3.46Å; L267-Y270 PolarHBondContact O-N 2.73Å; L267-L271 HydrophobicContact CD1-CD1 4.13Å; L267-L271 HydrophobicContact CD1-CG 4.26Å; L267-L271 HydrophobicContact CG-CD1 4.02Å; L267-L271 WeakPolarHBondContact O-CB 3.39Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 3.48Å; L267-L271 PolarHBondContact O-N 2.98Å |
| 268 | Y | 91.5 | Very high | 80.8 | Confident | 147 Ų | 147 | 112.7 Ų | 112.7 | 58% | 0.576 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.1 | -44.6 | 175.4 | 173.6 | -94.6 | 0 | 0 | 0 | 111.9 | S264 Y265 L271 S272 | S264-Y268 VanDerWaalsContact O-CB 3.27Å; S264-Y268 WeakPolarHBondContact O-CB 3.22Å; S264-Y268 PolarHBondContact O-N 2.86Å; Y265-Y268 PolarHBondContact O-N 3.18Å; Y268-L271 PolarHBondContact O-N 2.89Å; Y268-S272 WeakPolarHBondContact O-CB 3.42Å; Y268-S272 PolarHBondContact O-N 2.99Å; Y268-S272 PolarHBondContact O-OG 3.06Å |
| 269 | N | 85.5 | Confident | 78.6 | Confident | 67 Ų | 67 | 115 Ų | 115 | 36% | 0.358 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.5 | -35.4 | 175.5 | -79.9 | -11.5 | 0 | 0 | 0 | 112.7 | Y265 L266 G273 | Y265-N269 WeakPolarHBondContact CE1-ND2 3.38Å; Y265-N269 PolarHBondContact O-N 3.14Å; Y265-N269 PolarHBondContact OH-ND2 2.94Å; Y265-N269 VanDerWaalsContact OH-ND2 3.15Å; L266-N269 PolarHBondContact O-N 3Å; N269-G273 PolarHBondContact O-N 3.31Å; N269-G273 VanDerWaalsContact O-N 3.09Å |
| 270 | Y | 83.9 | Confident | 76.5 | Confident | 178 Ų | 178 | 116.8 Ų | 116.8 | 70% | 0.698 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.3 | -44.4 | 174.4 | 177.7 | -98.3 | 0 | 0 | 0 | 112 | L266 L267 | L266-Y270 WeakPolarHBondContact O-CB 3.18Å; L266-Y270 PolarHBondContact O-N 3.05Å; L267-Y270 PolarHBondContact O-N 2.73Å |
| 271 | L | 82.1 | Confident | 74.1 | Confident | 130 Ų | 130 | 117.5 Ų | 117.5 | 68% | 0.681 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72 | -34.4 | 177.4 | -67.8 | 171.5 | 0 | 0 | 0 | 112.8 | L267 Y268 G273 | L267-L271 HydrophobicContact CD1-CD1 4.13Å; L267-L271 HydrophobicContact CD1-CG 4.26Å; L267-L271 HydrophobicContact CG-CD1 4.02Å; L267-L271 WeakPolarHBondContact O-CB 3.39Å; L267-L271 VanDerWaalsContact O-CG 3.31Å; L267-L271 WeakPolarHBondContact O-CG 3.48Å; L267-L271 PolarHBondContact O-N 2.98Å; Y268-L271 PolarHBondContact O-N 2.89Å; L271-G273 VanDerWaalsContact C-N 3.28Å; L271-G273 PolarHBondContact O-N 3.43Å |
| 272 | S | 73.6 | Confident | 71.7 | Confident | 60 Ų | 60 | 119.9 Ų | 119.9 | 42% | 0.42 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.3 | 9 | 178.7 | -51.8 | 0 | 0 | 0 | 0 | 113.2 | Y268 K274 | Y268-S272 WeakPolarHBondContact O-CB 3.42Å; Y268-S272 PolarHBondContact O-N 2.99Å; Y268-S272 PolarHBondContact O-OG 3.06Å; S272-K274 PolarHBondContact O-N 3.47Å; S272-K274 VanDerWaalsContact O-N 3.15Å |
| 273 | G | 65.1 | Low | 69 | Low | 49 Ų | 49 | 120.7 Ų | 120.7 | 51% | 0.505 | 66% | 0.66 | S | S | . | * | trans | -61.5 | 112.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N269 L271 G275 | N269-G273 PolarHBondContact O-N 3.31Å; N269-G273 VanDerWaalsContact O-N 3.09Å; L271-G273 VanDerWaalsContact C-N 3.28Å; L271-G273 PolarHBondContact O-N 3.43Å; G273-G275 PolarHBondContact O-N 2.76Å | ||
| 274 | K | 62.6 | Low | 66.6 | Low | 220 Ų | 220 | 124.1 Ų | 124.1 | 96% | 0.957 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -60.6 | 101.9 | 178.8 | -69.4 | -178.7 | 178.1 | 178.9 | 0 | 111.2 | S272 | S272-K274 PolarHBondContact O-N 3.47Å; S272-K274 VanDerWaalsContact O-N 3.15Å |
| 275 | G | 60.3 | Low | 64.1 | Low | 74 Ų | 74 | 127 Ų | 127 | 76% | 0.763 | 69% | 0.69 | S | S | * | * | trans | 152.3 | 46.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 118 | G273 | G273-G275 PolarHBondContact O-N 2.76Š| ||
| 276 | R | 48.9 | Very low | 61.3 | Low | 233 Ų | 233 | 124 Ų | 124 | 88% | 0.879 | 69% | 0.69 | S | S | * | * | trans | -128.8 | 128.1 | 158.3 | -76.3 | -171.7 | 171.8 | 174.1 | -1.4 | 110.2 | ||||
| 277 | A | 47.9 | Very low | 58.6 | Low | 98 Ų | 98 | 129 Ų | 129 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 138.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 278 | S | 52.8 | Low | 55.9 | Low | 106 Ų | 106 | 131.9 Ų | 131.9 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 129 | 170.6 | 49.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 279 | P | 47.8 | Very low | 53.3 | Low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -62 | 149.6 | 166.1 | 28.7 | -33.8 | 0 | 0 | 0 | 109.7 | ||
| 280 | P | 51.3 | Low | 51 | Low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 154 | -173.7 | 27.8 | -34.9 | 0 | 0 | 0 | 113.1 | ||
| 281 | V | 46.8 | Very low | 48.8 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 136.2 | -178.8 | 174.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 282 | L | 45.9 | Very low | 47.3 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | trans | -127.4 | 91.4 | 153.1 | -92.4 | 173.2 | 0 | 0 | 0 | 110.9 | ||||
| 283 | N | 38.3 | Very low | 45.3 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | trans | 7.5 | 119 | 162.8 | -56 | -18.3 | 0 | 0 | 0 | 119.7 | ||||
| 284 | Q | 44.1 | Very low | 43.9 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 133.3 | 152.2 | 171.1 | -176 | -2.9 | 0 | 0 | 110.7 | ||
| 285 | P | 40.2 | Very low | 42.7 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 135.3 | 159.1 | -7.4 | 25.6 | 0 | 0 | 0 | 110.3 | ||
| 286 | S | 37.4 | Very low | 41.8 | Very low | 76 Ų | 76 | 138.8 Ų | 138.8 | 53% | 0.531 | 78% | 0.778 | S | S | . | * | P | Polyproline II helix | trans | -93.4 | 147.6 | 174.1 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 287 | F | 34.6 | Very low | 41.3 | Very low | 215 Ų | 215 | 134.5 Ų | 134.5 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | trans | -134.5 | 143.9 | 152.2 | -86.2 | -75.9 | 0 | 0 | 0 | 108.7 | ||||
| 288 | H | 33.8 | Very low | 40.8 | Very low | 161 Ų | 161 | 137.5 Ų | 137.5 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | trans | -104.5 | 139.5 | -164.8 | -83.5 | -91.8 | 0 | 0 | 0 | 114 | ||||
| 289 | S | 35.8 | Very low | 40 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | 51.1 | 112.8 | 138.2 | -53.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 290 | C | 37.5 | Very low | 39.3 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | 26.3 | 145.8 | 122 | -62.4 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 291 | P | 38.9 | Very low | 38.6 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | -137.1 | 174.5 | 89.7 | 39.7 | -29 | 0 | 0 | 0 | 116 | |||||
| 292 | I | 49.5 | Very low | 37.9 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -106.6 | 143 | 179.2 | -62.6 | 166.8 | 0 | 0 | 0 | 110.1 | ||||
| 293 | V | 32.4 | Very low | 37.2 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | -138.5 | 155.6 | 164.7 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 294 | F | 36.1 | Very low | 37.1 | Very low | 171 Ų | 171 | 139 Ų | 139 | 75% | 0.75 | 78% | 0.775 | S | S | * | * | trans | -106.7 | 150.9 | -166.2 | -73.4 | -108.4 | 0 | 0 | 0 | 114.7 | ||||
| 295 | L | 37.1 | Very low | 36.5 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | 47.8 | 171 | 143.1 | -93.3 | 63.2 | 0 | 0 | 0 | 120.2 | ||||
| 296 | P | 41.7 | Very low | 36.4 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | cis | -130.6 | -166.9 | 9.9 | 43.8 | -26.3 | 0 | 0 | 0 | 115.5 | ||||
| 297 | D | 37.2 | Very low | 36.6 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | -71 | 127 | 174.1 | -53.5 | -87.6 | 0 | 0 | 0 | 114.7 | ||||
| 298 | N | 37.4 | Very low | 36.8 | Very low | 160 Ų | 160 | 136 Ų | 136 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | 169.3 | 139.1 | 116.5 | 56 | 51.2 | 0 | 0 | 0 | 113.2 | |||||
| 299 | A | 36.8 | Very low | 36.9 | Very low | 101 Ų | 101 | 135 Ų | 135 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | 164 | 104.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 300 | T | 33.5 | Very low | 36.8 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -58 | 141.9 | 176.4 | -30.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 301 | L | 35.1 | Very low | 37.4 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | 169.4 | 112 | 114.4 | -88.1 | 171.8 | 0 | 0 | 0 | 116.4 | |||||
| 302 | Q | 33.5 | Very low | 37.5 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | trans | 61.2 | 139 | 134.5 | -68 | -68.9 | 13.6 | 0 | 0 | 125.8 | ||||
| 303 | L | 30.8 | Very low | 37.2 | Very low | 143 Ų | 143 | 138.3 Ų | 138.3 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | 62.1 | 141.8 | 153.5 | -101.6 | 67.6 | 0 | 0 | 0 | 119.7 | ||||
| 304 | T | 34.9 | Very low | 37.1 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | cis | -146.8 | 155 | -3.5 | -35.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 305 | S | 33.2 | Very low | 36.9 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -89.1 | 150.8 | 169.3 | 55.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 306 | I | 37.3 | Very low | 36.7 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | -134.8 | 132.4 | 165.6 | -60.2 | -178.3 | 0 | 0 | 0 | 108.4 | ||||
| 307 | I | 40.5 | Very low | 36.7 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | trans | -104.7 | 125.7 | -177.8 | -59.7 | 168 | 0 | 0 | 0 | 109.7 | ||||
| 308 | P | 40.5 | Very low | 36.3 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -88.7 | 108 | 165.8 | 32.2 | -28.6 | 0 | 0 | 0 | 110.8 | ||||
| 309 | N | 35.6 | Very low | 36.1 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -96.4 | 138.5 | 169.1 | -89.6 | -50.5 | 0 | 0 | 0 | 111.3 | ||||
| 310 | K | 32.8 | Very low | 36.4 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | 27.2 | 126.4 | 149.4 | -160.3 | 176.8 | -176.4 | -178.7 | 0 | 120.2 | ||||
| 311 | P | 49.6 | Very low | 36.3 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | trans | -75.2 | 153.8 | 177.3 | 34 | -37.5 | 0 | 0 | 0 | 113.8 | ||||
| 312 | P | 41.6 | Very low | 36.7 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | -142.8 | -153.9 | 102.8 | 36.3 | -16.4 | 0 | 0 | 0 | 112.4 | |||||
| 313 | P | 43.1 | Very low | 37.7 | Very low | 133 Ų | 133 | 139.5 Ų | 139.5 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | -117.3 | -169.5 | -85.9 | 40.3 | -25.7 | 0 | 0 | 0 | 115.1 | |||||
| 314 | E | 31.6 | Very low | 37.7 | Very low | 160 Ų | 160 | 143.9 Ų | 143.9 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -82.1 | 152.1 | -169 | 173.7 | -178.2 | -162.1 | 0 | 0 | 116.5 | ||||
| 315 | I | 31.3 | Very low | 37.3 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -174.9 | 168.1 | 138.9 | -97.3 | 158.1 | 0 | 0 | 0 | 111.7 | ||||
| 316 | Q | 32.8 | Very low | 38.4 | Very low | 158 Ų | 158 | 143 Ų | 143 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | -99.1 | -155 | -158.5 | -54.9 | 174.4 | 4.5 | 0 | 0 | 114.9 | ||||
| 317 | P | 40.9 | Very low | 38 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | -124.5 | -179.4 | -97.5 | 40.2 | -22.8 | 0 | 0 | 0 | 115.8 | |||||
| 318 | F | 28.6 | Very low | 37.4 | Very low | 202 Ų | 202 | 148.9 Ų | 148.9 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | trans | -116.5 | 142.1 | -179.8 | -89.5 | -86.8 | 0 | 0 | 0 | 114.6 | ||||
| 319 | I | 33.5 | Very low | 36.9 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 86% | 0.862 | 80% | 0.795 | S | S | * | * | trans | -152.3 | 160.7 | 146.8 | 20.9 | 178.8 | 0 | 0 | 0 | 109 | ||||
| 320 | P | 44.4 | Very low | 36.6 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | trans | -124.2 | 177.6 | -133 | 41.9 | -29.4 | 0 | 0 | 0 | 117.2 | ||||
| 321 | C | 31.5 | Very low | 36.4 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 86% | 0.858 | 79% | 0.793 | S | S | * | * | trans | -102.1 | 150.7 | -179.9 | -53.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 322 | P | 42.6 | Very low | 36.2 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -106.3 | 170.8 | 152.4 | 35.4 | -26 | 0 | 0 | 0 | 112.5 | ||||
| 323 | P | 54.7 | Low | 35.4 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | -118.9 | 176.1 | -151.5 | 42.7 | -34.3 | 0 | 0 | 0 | 116.2 | ||||
| 324 | Y | 29.9 | Very low | 34.6 | Very low | 235 Ų | 235 | 147.1 Ų | 147.1 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | -174.6 | 169.3 | 128.6 | -91.8 | -61.6 | 0 | 0 | 0 | 110.5 | |||||
| 325 | A | 27.3 | Very low | 35.6 | Very low | 92 Ų | 92 | 143.9 Ų | 143.9 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -141.6 | -160.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 326 | P | 56.7 | Low | 35.5 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -138.7 | 175.6 | -13.9 | 41.3 | -23.9 | 0 | 0 | 0 | 116 | ||||
| 327 | Q | 28.7 | Very low | 35.4 | Very low | 175 Ų | 175 | 144.7 Ų | 144.7 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 159.6 | 122.5 | 137.2 | -88.6 | 177.6 | 15.1 | 0 | 0 | 111.6 | ||||
| 328 | R | 27.6 | Very low | 35.6 | Very low | 238 Ų | 238 | 144.1 Ų | 144.1 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | 54.1 | 126.4 | 105.2 | -84.8 | -171.3 | 179.7 | 164.4 | 0.9 | 115.6 | |||||
| 329 | A | 29.1 | Very low | 35.7 | Very low | 77 Ų | 77 | 141 Ų | 141 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -161.9 | -153.6 | -2.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 330 | D | 29.2 | Very low | 35.4 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | cis | -166.2 | 142.6 | 3.3 | -121.2 | -17.6 | 0 | 0 | 0 | 108.7 | ||||
| 331 | V | 30.2 | Very low | 34.7 | Very low | 129 Ų | 129 | 139.2 Ų | 139.2 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | 76.1 | 138.6 | 114.2 | 165 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 332 | P | 44.9 | Very low | 34.8 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | -141 | -158.4 | -118.6 | 36.9 | -13.4 | 0 | 0 | 0 | 118.8 | |||||
| 333 | Q | 25.2 | Very low | 34.5 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | 101.8 | 113.5 | 156.7 | -58.6 | -173.4 | -100.7 | 0 | 0 | 122.6 | ||||
| 334 | E | 24.8 | Very low | 33.7 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | 39.8 | 165.7 | 101.7 | -80 | -164.7 | 127.5 | 0 | 0 | 124.2 | |||||
| 335 | P | 52.8 | Low | 34.1 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 60% | 0.604 | 73% | 0.725 | S | S | * | * | cis | -146.8 | -164.7 | -29.8 | 41.7 | -21.4 | 0 | 0 | 0 | 116.8 | ||||
| 336 | E | 29.8 | Very low | 34.2 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | trans | 85.4 | 112.1 | 147.3 | -82.7 | 174.5 | -139 | 0 | 0 | 126.2 | ||||
| 337 | E | 30.9 | Very low | 33 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | 44.4 | 174.7 | 124 | -86.8 | -160.2 | -160.3 | 0 | 0 | 125.4 | |||||
| 338 | P | 45.1 | Very low | 33.1 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 69% | 0.688 | 73% | 0.729 | S | S | * | * | cis | -135.3 | 144.5 | -7.3 | 23.3 | 1.1 | 0 | 0 | 0 | 119.6 | ||||
| 339 | M | 29.9 | Very low | 33.3 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 68% | 0.68 | 72% | 0.722 | S | S | * | * | 47.1 | 159.9 | 120.6 | -116.1 | -86.8 | -77.5 | 0 | 0 | 127.2 | |||||
| 340 | N | 27.9 | Very low | 33.4 | Very low | 121 Ų | 121 | 132 Ų | 132 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | trans | 88.2 | 150.6 | 167.2 | -52.1 | -77.9 | 0 | 0 | 0 | 118.6 | ||||
| 341 | N | 30.4 | Very low | 33.3 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 67% | 0.674 | 73% | 0.734 | S | S | * | * | cis | 179.5 | 171 | -23.6 | -96.6 | -16.5 | 0 | 0 | 0 | 109 | ||||
| 342 | L | 33.7 | Very low | 33.4 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | cis | -180 | 150.4 | -21.5 | 174.3 | 59.2 | 0 | 0 | 0 | 110.7 | ||||
| 343 | S | 35.9 | Very low | 32.6 | Very low | 84 Ų | 84 | 144.5 Ų | 144.5 | 59% | 0.587 | 75% | 0.748 | S | S | * | * | trans | 67.8 | 157.7 | 159.4 | -73.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 344 | D | 38.4 | Very low | 33 | Very low | 131 Ų | 131 | 143.2 Ų | 143.2 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | cis | -166 | 159.7 | -13.6 | -95.6 | -19.5 | 0 | 0 | 0 | 114.4 | ||||
| 345 | D | 38 | Very low | 33.2 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | trans | 56.7 | 162.5 | 142.7 | -72.8 | -13.1 | 0 | 0 | 0 | 125 | ||||
| 346 | Y | 30.1 | Very low | 32 | Very low | 213 Ų | 213 | 140.5 Ų | 140.5 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | cis | -150.7 | -170.8 | -7 | -125.3 | -60.8 | 0 | 0 | 0 | 110.5 | ||||
| 347 | A | 29.6 | Very low | 32.1 | Very low | 93 Ų | 93 | 140 Ų | 140 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -141 | 177 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 348 | A | 31.7 | Very low | 32.1 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | cis | -135.4 | -110 | 12.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 349 | V | 30.9 | Very low | 31.4 | Very low | 125 Ų | 125 | 139 Ų | 139 | 76% | 0.758 | 76% | 0.762 | S | S | * | * | cis | -156.7 | 147.9 | 14.7 | 175.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 350 | V | 31.5 | Very low | 31.3 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | -2.8 | 133.3 | 158 | -171.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 351 | R | 28.7 | Very low | 31.3 | Very low | 235 Ų | 235 | 143.3 Ų | 143.3 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | -174.3 | 158 | 81.1 | -162.9 | 172.8 | -84.5 | -166.7 | -3.4 | 115.9 | |||||
| 352 | K | 31.9 | Very low | 31.2 | Very low | 194 Ų | 194 | 147.2 Ų | 147.2 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | -62.3 | 152.5 | 176.4 | -60.3 | 177.1 | 174.7 | 180 | 0 | 117 | ||||
| 353 | K | 28.5 | Very low | 31.1 | Very low | 211 Ų | 211 | 148 Ų | 148 | 92% | 0.917 | 77% | 0.772 | S | S | * | * | -163.5 | -175 | 114.8 | -116.6 | -177.1 | 179.6 | -174.2 | 0 | 113.9 | |||||
| 354 | V | 33.4 | Very low | 31.6 | Very low | 139 Ų | 139 | 149.1 Ų | 149.1 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | trans | -134.9 | 157.5 | -159.5 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 355 | S | 27.7 | Very low | 31.2 | Very low | 128 Ų | 128 | 152.1 Ų | 152.1 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | 106.3 | 150.2 | 159 | -157 | 0 | 0 | 0 | 0 | 117 | ||||
| 356 | G | 28.7 | Very low | 30.8 | Very low | 76 Ų | 76 | 155.3 Ų | 155.3 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 135.7 | 103.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 357 | E | 31.9 | Very low | 30.9 | Very low | 169 Ų | 169 | 148.9 Ų | 148.9 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -99.9 | 151.9 | 175.8 | -170.1 | -165.4 | 143.4 | 0 | 0 | 111.1 | ||||
| 358 | N | 31 | Very low | 31 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 68% | 0.684 | 80% | 0.796 | S | S | * | * | trans | 34.8 | 141.9 | 156.9 | -68.2 | -38.9 | 0 | 0 | 0 | 119.8 | ||||
| 359 | T | 29.1 | Very low | 31 | Very low | 125 Ų | 125 | 150.5 Ų | 150.5 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | -171.3 | 177.1 | 56.8 | -44 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 360 | R | 28.3 | Very low | 31.1 | Very low | 213 Ų | 213 | 150.1 Ų | 150.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -52 | 175.7 | 163.8 | -45.1 | 168.3 | -176.9 | 151.3 | -1 | 112.5 | ||||
| 361 | Q | 27.9 | Very low | 31.1 | Very low | 136 Ų | 136 | 150.1 Ų | 150.1 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -175.8 | 158.1 | 27.8 | -152.4 | 161.3 | -16.1 | 0 | 0 | 112.7 | ||||
| 362 | R | 28 | Very low | 31.2 | Very low | 207 Ų | 207 | 145 Ų | 145 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | 61.7 | 171.3 | 155.2 | -89.5 | 166.3 | 179.7 | 176.2 | 2.7 | 117.4 | ||||
| 363 | E | 31.5 | Very low | 31.3 | Very low | 158 Ų | 158 | 143 Ų | 143 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | cis | -129.2 | 175.9 | 13.4 | -83.6 | -82.2 | 84.4 | 0 | 0 | 112.2 | ||||
| 364 | P | 46.3 | Very low | 31.2 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | -108 | -174.4 | 179.2 | 42.4 | -33.8 | 0 | 0 | 0 | 114.4 | ||||
| 365 | E | 30.3 | Very low | 31.2 | Very low | 195 Ų | 195 | 141.1 Ų | 141.1 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | trans | -131.6 | 169.6 | 157.9 | -92.4 | -162.5 | 163.8 | 0 | 0 | 112 | ||||
| 366 | E | 30.7 | Very low | 31.4 | Very low | 190 Ų | 190 | 141.6 Ų | 141.6 | 89% | 0.888 | 75% | 0.754 | S | S | * | * | trans | -99.6 | 168.1 | -152.8 | -57.5 | -175.5 | 104.2 | 0 | 0 | 116.4 | ||||
| 367 | G | 32 | Very low | 31.5 | Very low | 77 Ų | 77 | 145.1 Ų | 145.1 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | -166.3 | 67.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A369 | G367-A369 PolarHBondContact O-N 3.41Š| ||
| 368 | V | 30.9 | Very low | 31.4 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | -68 | 118 | -176.7 | 176.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 369 | A | 32.9 | Very low | 31.5 | Very low | 94 Ų | 94 | 147.2 Ų | 147.2 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | trans | 176.4 | 161.8 | 139.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | G367 | G367-A369 PolarHBondContact O-N 3.41Š| ||
| 370 | V | 31.3 | Very low | 31.3 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | -161.3 | 157.6 | -55.7 | 110.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 371 | N | 31.4 | Very low | 31.5 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | trans | 63.4 | 109.4 | 166.9 | -76.9 | -8.5 | 0 | 0 | 0 | 121.7 | ||||
| 372 | N | 32.3 | Very low | 31.5 | Very low | 128 Ų | 128 | 145 Ų | 145 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | 84.1 | 93 | 120.5 | -62.1 | -13.2 | 0 | 0 | 0 | 122.6 | |||||
| 373 | L | 32.5 | Very low | 31.4 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | 83.4 | 113.9 | 111 | -110.8 | 76 | 0 | 0 | 0 | 121.7 | |||||
| 374 | K | 28.1 | Very low | 31.3 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | 85.5 | 116 | 126.9 | -120.4 | -162.5 | 176.8 | -160.2 | 0 | 119.9 | E376 | K374-E376 IonicContact NZ-OE2 2.62Å; K374-E376 PolarHBondContact NZ-OE2 3.05Å | |||
| 375 | D | 33.2 | Very low | 30.5 | Very low | 150 Ų | 150 | 145.9 Ų | 145.9 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | -58.6 | 155.7 | 147.2 | -46.5 | -96.3 | 0 | 0 | 0 | 111.6 | ||||
| 376 | E | 30.3 | Very low | 30.3 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | trans | -159.6 | 168.5 | 130.4 | -116.5 | 177 | 109.3 | 0 | 0 | 113.1 | K374 | K374-E376 IonicContact NZ-OE2 2.62Å; K374-E376 PolarHBondContact NZ-OE2 3.05Å | ||
| 377 | H | 30.7 | Very low | 30.3 | Very low | 151 Ų | 151 | 143 Ų | 143 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | -32.5 | 160.6 | 176.8 | -54 | -55.2 | 0 | 0 | 0 | 117.4 | ||||
| 378 | Q | 30.2 | Very low | 30.2 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | cis | -171.4 | 168.2 | 46.6 | -171.9 | 56.2 | -55.9 | 0 | 0 | 112.8 | ||||
| 379 | K | 32.8 | Very low | 30.1 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | trans | -63.4 | 148.9 | 164.2 | -62.7 | 173.5 | -179.7 | 172.3 | 0 | 112.4 | ||||
| 380 | N | 26.1 | Very low | 29.9 | Very low | 173 Ų | 173 | 150.2 Ų | 150.2 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | -157.4 | 166 | 128.2 | -111 | -13.2 | 0 | 0 | 0 | 111.3 | |||||
| 381 | A | 32.5 | Very low | 29.9 | Very low | 86 Ų | 86 | 151.3 Ų | 151.3 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -111.7 | 158.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 382 | D | 28.1 | Very low | 29.9 | Very low | 169 Ų | 169 | 153.4 Ų | 153.4 | 90% | 0.904 | 76% | 0.759 | S | S | * | * | trans | -161.4 | 178.4 | 142.4 | -116.4 | -35.6 | 0 | 0 | 0 | 113 | ||||
| 383 | C | 24.4 | Very low | 29.9 | Very low | 106 Ų | 106 | 153.5 Ų | 153.5 | 72% | 0.716 | 76% | 0.76 | S | S | * | * | trans | -119.6 | 152.2 | -155.2 | -87.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 384 | Y | 29.4 | Very low | 29.7 | Very low | 222 Ų | 222 | 150 Ų | 150 | 87% | 0.871 | 76% | 0.76 | S | S | * | * | trans | 41.8 | 112.4 | 149.8 | -71.4 | -68.7 | 0 | 0 | 0 | 122.4 | ||||
| 385 | E | 29.6 | Very low | 29.7 | Very low | 161 Ų | 161 | 150.4 Ų | 150.4 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | -161.3 | 157.5 | 126.1 | -84.6 | -140.3 | 121.4 | 0 | 0 | 107.2 | |||||
| 386 | K | 27.3 | Very low | 29.5 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 65% | 0.648 | 77% | 0.768 | S | S | * | * | cis | -147.6 | 140.8 | -2 | -116.9 | 169.8 | 171.5 | 75.4 | 0 | 104.4 | ||||
| 387 | K | 30.7 | Very low | 29.4 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | 39.6 | 137.4 | 88 | -71.7 | -167.6 | 153.9 | -161.2 | 0 | 115.4 | |||||
| 388 | D | 29 | Very low | 29.2 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | cis | -161.8 | 159.1 | -5.4 | -98.7 | -39.6 | 0 | 0 | 0 | 106.9 | ||||
| 389 | V | 29.9 | Very low | 29 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -171.3 | 141.9 | 138.5 | 139.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 390 | K | 28.1 | Very low | 28.7 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | trans | -110.4 | 138.5 | -176.8 | -90.9 | -174.8 | 169.6 | -179 | 0 | 112.8 | ||||
| 391 | I | 30.8 | Very low | 29 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | 40.1 | 123.1 | 127.8 | -45 | 168.2 | 0 | 0 | 0 | 117.9 | |||||
| 392 | K | 32.1 | Very low | 29.4 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 74% | 0.735 | 78% | 0.781 | S | S | * | * | trans | 162.9 | 149.1 | 130 | -90.6 | -173.1 | 152.2 | -69.2 | 0 | 109 | ||||
| 393 | D | 31.3 | Very low | 29.5 | Very low | 131 Ų | 131 | 146.2 Ų | 146.2 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | cis | -146.7 | 163.9 | -8.5 | -94.1 | -45.3 | 0 | 0 | 0 | 107.8 | ||||
| 394 | G | 28.5 | Very low | 29.8 | Very low | 79 Ų | 79 | 145.1 Ų | 145.1 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | 175.3 | 134.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 395 | N | 29.1 | Very low | 29.9 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -137.2 | 164.7 | -167.6 | -160 | 9.5 | 0 | 0 | 0 | 112 | ||||
| 396 | A | 28.4 | Very low | 29.7 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | 66.9 | 160.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 397 | S | 27.8 | Very low | 29.6 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | cis | -168.1 | 155.4 | -28.6 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 398 | S | 28 | Very low | 29.3 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 41.1 | 108.1 | 151.6 | -177.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 399 | G | 25.7 | Very low | 29.2 | Very low | 62 Ų | 62 | 139.7 Ų | 139.7 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | 84 | 131.8 | 100.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 400 | Y | 25.3 | Very low | 29.1 | Very low | 241 Ų | 241 | 138.1 Ų | 138.1 | 95% | 0.945 | 78% | 0.778 | S | S | * | * | trans | 78.7 | 148.4 | 153.8 | -73.7 | -86.3 | 0 | 0 | 0 | 122.5 | ||||
| 401 | K | 33.3 | Very low | 29.9 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -100.7 | 155.6 | 175.9 | -80.2 | -173.2 | 177.7 | -178.1 | 0 | 111.4 | ||||
| 402 | P | 41.1 | Very low | 29.8 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | -106.9 | -152.2 | 129.1 | -20.2 | 37.4 | 0 | 0 | 0 | 117.2 | |||||
| 403 | Q | 29.4 | Very low | 29.6 | Very low | 186 Ų | 186 | 132 Ų | 132 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | trans | -166 | 164.6 | -139.7 | -172.1 | -178.1 | 41.4 | 0 | 0 | 111.9 | ||||
| 404 | A | 31.3 | Very low | 29.4 | Very low | 83 Ų | 83 | 131.3 Ų | 131.3 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | trans | 72.2 | 157.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 405 | K | 31.2 | Very low | 29.5 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | cis | -141.1 | -146.1 | -10.8 | -126.2 | 168.4 | -171.4 | 177.2 | 0 | 108.6 | ||||
| 406 | T | 26.3 | Very low | 29.3 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | cis | -152.1 | 152.7 | 16.7 | -68.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 407 | F | 24.8 | Very low | 29.2 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -15.2 | 159.8 | 167.6 | -70.8 | -112.8 | 0 | 0 | 0 | 121.2 | ||||
| 408 | G | 24.8 | Very low | 29.2 | Very low | 67 Ų | 67 | 131.7 Ų | 131.7 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | cis | 149.8 | 157.3 | -8 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 409 | Q | 26.6 | Very low | 29.1 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | trans | 79.8 | 164.2 | 163.1 | -68.5 | 179 | -41 | 0 | 0 | 121.1 | ||||
| 410 | S | 27.7 | Very low | 29.1 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -139 | -141.8 | -168.8 | 58.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 411 | P | 44.1 | Very low | 29.1 | Very low | 100 Ų | 100 | 134 Ų | 134 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | cis | -147.8 | -164.1 | 26.5 | 43.7 | -20 | 0 | 0 | 0 | 117.4 | ||||
| 412 | T | 28.8 | Very low | 28.8 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | 70.6 | 151.9 | 152.9 | 44.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 413 | Q | 28.8 | Very low | 28.1 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 61% | 0.612 | 75% | 0.752 | S | S | * | * | cis | -130.8 | -150 | -3.3 | -152.5 | -155.2 | 2.7 | 0 | 0 | 108.1 | E415 | Q413-E415 VanDerWaalsContact NE2-CD 3.26Å; Q413-E415 PolarHBondContact NE2-OE1 2.6Å; Q413-E415 PolarHBondContact NE2-OE2 3.26Å | ||
| 414 | T | 27.3 | Very low | 28.3 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | -159 | 164.1 | 3 | -43.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 415 | E | 29.4 | Very low | 27.9 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 59% | 0.593 | 75% | 0.75 | S | S | * | * | -135.9 | -145.6 | -67.3 | -146.7 | 84.2 | -48.4 | 0 | 0 | 105.3 | Q413 | Q413-E415 VanDerWaalsContact NE2-CD 3.26Å; Q413-E415 PolarHBondContact NE2-OE1 2.6Å; Q413-E415 PolarHBondContact NE2-OE2 3.26Å | |||
| 416 | V | 25.3 | Very low | 27.6 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | cis | -140.3 | 121.6 | 5.8 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 417 | S | 26.4 | Very low | 27.6 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | trans | 19.1 | 153.3 | 136.8 | -48.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 418 | A | 28 | Very low | 27.5 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | trans | -133.2 | 178.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 419 | L | 25.4 | Very low | 28.4 | Very low | 167 Ų | 167 | 133.3 Ų | 133.3 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -176 | 170.2 | 142.5 | -101.9 | 166.1 | 0 | 0 | 0 | 116.2 | ||||
| 420 | L | 25.3 | Very low | 28.7 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | trans | -82.6 | 164.9 | -158.1 | -71.6 | 160.1 | 0 | 0 | 0 | 119.6 | ||||
| 421 | Q | 26.2 | Very low | 28.7 | Very low | 163 Ų | 163 | 131.4 Ų | 131.4 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | 87.3 | 126.3 | 130.7 | -87.3 | 162.4 | 14.9 | 0 | 0 | 125.5 | ||||
| 422 | S | 26.8 | Very low | 27.8 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 99.2 | 164.2 | 130.7 | 76.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 423 | L | 26.4 | Very low | 28.1 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -94.1 | 176.2 | -166.2 | -93.8 | 79.9 | 0 | 0 | 0 | 112 | ||||
| 424 | P | 33.7 | Very low | 27.9 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | cis | -153.7 | -174.8 | 31.7 | 45.2 | -23 | 0 | 0 | 0 | 120.5 | ||||
| 425 | C | 22.7 | Very low | 28 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | 67.2 | 112 | 145.4 | -77.5 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 426 | S | 24.8 | Very low | 27.8 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | 51.5 | 117 | 120.2 | -177.4 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 427 | L | 26.1 | Very low | 28 | Very low | 169 Ų | 169 | 135.5 Ų | 135.5 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | -178.3 | 170 | 117.9 | -98.5 | 164.2 | 0 | 0 | 0 | 113.5 | |||||
| 428 | R | 23.3 | Very low | 27.9 | Very low | 229 Ų | 229 | 134.5 Ų | 134.5 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -155.6 | 159.5 | -178 | -157.7 | -160 | -166.5 | -174.9 | 6.9 | 108 | ||||
| 429 | P | 42.9 | Very low | 28.5 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | cis | -104.7 | -149.4 | -29.7 | 30 | -9 | 0 | 0 | 0 | 110.2 | ||||
| 430 | P | 33.1 | Very low | 28.4 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | -137 | 178.2 | 93 | 39.9 | -28.9 | 0 | 0 | 0 | 115.2 | |||||
| 431 | V | 27.6 | Very low | 28.4 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | -116.4 | 155 | 179 | 172.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 432 | S | 25.5 | Very low | 28.3 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | -140.7 | 165.3 | 171.2 | 70.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 433 | P | 35.2 | Very low | 28.3 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | -123.1 | 178 | -84.4 | 34.6 | -19.6 | 0 | 0 | 0 | 113.8 | |||||
| 434 | S | 24.7 | Very low | 28.4 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -119.2 | 144.8 | -174 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 435 | Q | 29.4 | Very low | 27.9 | Very low | 184 Ų | 184 | 138 Ų | 138 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | 171.7 | 157.9 | 150.1 | -95.4 | 166.4 | 66.8 | 0 | 0 | 107.2 | ||||
| 436 | T | 25.5 | Very low | 28 | Very low | 102 Ų | 102 | 137 Ų | 137 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | cis | -153.6 | 143.6 | 33.3 | -48.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 437 | Q | 28.5 | Very low | 28 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | 61.1 | 133.1 | 156 | -76.7 | 159.9 | 3.2 | 0 | 0 | 123.1 | ||||
| 438 | A | 25.1 | Very low | 28.1 | Very low | 88 Ų | 88 | 138.1 Ų | 138.1 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -104.3 | 175.5 | 147.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 439 | P | 39.9 | Very low | 28.3 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | -138.3 | -167.6 | 71.1 | 33.7 | -11.3 | 0 | 0 | 0 | 111.5 | |||||
| 440 | T | 23.7 | Very low | 27.6 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | cis | -158.9 | 159.6 | 19.7 | -29.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 441 | Q | 25.1 | Very low | 27.4 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | 24.8 | 152.6 | 148.4 | -75.5 | 167.3 | 6.5 | 0 | 0 | 122.3 | ||||
| 442 | S | 24.6 | Very low | 27.3 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 55% | 0.545 | 74% | 0.741 | S | S | . | * | cis | -179.3 | 171.1 | -18 | 57.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 443 | N | 27.5 | Very low | 27.5 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | 67.4 | 164.6 | 164 | -59.9 | -21.6 | 0 | 0 | 0 | 116.6 | ||||
| 444 | Q | 27.4 | Very low | 27.1 | Very low | 163 Ų | 163 | 139 Ų | 139 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | cis | -175.4 | 165.2 | -49.7 | -121.7 | -170.6 | 7 | 0 | 0 | 106.5 | ||||
| 445 | R | 24.2 | Very low | 27.2 | Very low | 226 Ų | 226 | 139.2 Ų | 139.2 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | trans | 68.2 | 131.7 | 179.9 | -69.4 | 177.1 | 176.5 | 155.1 | 0 | 113.4 | ||||
| 446 | S | 25 | Very low | 27.1 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | cis | 68.7 | 108.3 | 28.1 | -166.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 447 | F | 23.5 | Very low | 27.2 | Very low | 199 Ų | 199 | 138 Ų | 138 | 87% | 0.873 | 73% | 0.729 | S | S | * | * | -158.3 | 156.3 | 115.4 | -125.5 | -97.8 | 0 | 0 | 0 | 110.4 | |||||
| 448 | S | 28.4 | Very low | 27.2 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | trans | -98.6 | 152.8 | 169.3 | -55.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 449 | D | 27.8 | Very low | 27.3 | Very low | 118 Ų | 118 | 139 Ų | 139 | 63% | 0.631 | 73% | 0.732 | S | S | * | * | 179.1 | 147 | 113.4 | -115.9 | -16.3 | 0 | 0 | 0 | 113.5 | |||||
| 450 | K | 28.2 | Very low | 26.6 | Very low | 158 Ų | 158 | 140 Ų | 140 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | trans | 56.9 | 160.6 | 139.5 | -69.9 | 167.1 | -172.1 | 141 | 0 | 120.6 | ||||
| 451 | Q | 27.9 | Very low | 26.7 | Very low | 152 Ų | 152 | 139 Ų | 139 | 71% | 0.71 | 74% | 0.744 | S | S | * | * | cis | -175.7 | 173.6 | -20.9 | 176.1 | 167.2 | -1.5 | 0 | 0 | 107.2 | ||||
| 452 | T | 25.7 | Very low | 26.8 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 77.2 | 120.5 | 170.8 | -8.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 453 | I | 29.7 | Very low | 26.8 | Very low | 142 Ų | 142 | 146 Ų | 146 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | 62.1 | 116.1 | 56.8 | -54.2 | 168.6 | 0 | 0 | 0 | 108 | |||||
| 454 | E | 27.2 | Very low | 26.9 | Very low | 159 Ų | 159 | 148 Ų | 148 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | -164.3 | 166.3 | 53.3 | -144.5 | 177.2 | -120.9 | 0 | 0 | 114.9 | |||||
| 455 | N | 27.8 | Very low | 26.8 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 59% | 0.594 | 77% | 0.772 | S | S | * | * | trans | 55.1 | 108.8 | 146.8 | -77 | -26 | 0 | 0 | 0 | 124.8 | ||||
| 456 | N | 27.3 | Very low | 27 | Very low | 140 Ų | 140 | 145.5 Ų | 145.5 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | 89 | 141.2 | 115.6 | -64.7 | -16.7 | 0 | 0 | 0 | 125.6 | |||||
| 457 | T | 26.6 | Very low | 27.1 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | trans | 81.7 | 107.2 | 152.3 | -49.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 458 | E | 28.1 | Very low | 27.3 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | 22.7 | 126.2 | 142.6 | -54.7 | -178.2 | 117.6 | 0 | 0 | 121.8 | ||||
| 459 | S | 26.9 | Very low | 27.3 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | -166.5 | 121.6 | 129.1 | -85 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 460 | S | 25.5 | Very low | 27.3 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 96% | 0.958 | 78% | 0.778 | S | S | * | * | trans | -96.1 | 100.8 | -179.7 | -68.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 461 | A | 25.5 | Very low | 27.2 | Very low | 87 Ų | 87 | 146.9 Ų | 146.9 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | trans | -150.4 | 83.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 462 | L | 29 | Very low | 27.5 | Very low | 150 Ų | 150 | 145 Ų | 145 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 16.1 | 113.1 | 145.3 | -69 | 161.2 | 0 | 0 | 0 | 119.2 | ||||
| 463 | W | 23.8 | Very low | 27.4 | Very low | 252 Ų | 252 | 149.3 Ų | 149.3 | 96% | 0.955 | 79% | 0.793 | S | S | * | * | trans | -139.5 | 131.4 | 142.1 | -79.1 | 95.1 | 0 | 0 | 0 | 111 | ||||
| 464 | F | 29 | Very low | 27.1 | Very low | 186 Ų | 186 | 150.2 Ų | 150.2 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | trans | -81.8 | 137.4 | 172.2 | -74.6 | -96.7 | 0 | 0 | 0 | 110.4 | ||||
| 465 | T | 26.4 | Very low | 27.1 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 91% | 0.914 | 80% | 0.799 | S | S | * | * | trans | -127.6 | 155.2 | 150.4 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 466 | K | 27.6 | Very low | 26.9 | Very low | 186 Ų | 186 | 152.2 Ų | 152.2 | 81% | 0.809 | 81% | 0.808 | S | S | * | * | trans | -118.4 | 132.8 | -161.8 | -173.6 | -169.5 | -173.9 | 179.4 | 0 | 107.7 | ||||
| 467 | N | 27.6 | Very low | 26.9 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | 167.4 | 127.6 | 129.3 | -84 | -20.9 | 0 | 0 | 0 | 114.9 | |||||
| 468 | A | 27.6 | Very low | 26.8 | Very low | 87 Ų | 87 | 154.6 Ų | 154.6 | 72% | 0.719 | 82% | 0.815 | S | S | * | * | 64 | 140.4 | 126.1 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 469 | Q | 28.3 | Very low | 26.8 | Very low | 189 Ų | 189 | 153.7 Ų | 153.7 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | 78.7 | 97.5 | 155.8 | -68.7 | 174.4 | 9.1 | 0 | 0 | 119.5 | ||||
| 470 | T | 27.7 | Very low | 26.9 | Very low | 112 Ų | 112 | 153.4 Ų | 153.4 | 69% | 0.687 | 81% | 0.81 | S | S | * | * | trans | -63.6 | 165.4 | 141.4 | 55.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 471 | H | 26 | Very low | 26.8 | Very low | 168 Ų | 168 | 153.9 Ų | 153.9 | 78% | 0.778 | 80% | 0.801 | S | S | * | * | cis | -155.8 | -173.5 | 25.2 | -88 | -74.8 | 0 | 0 | 0 | 108.2 | ||||
| 472 | P | 33.4 | Very low | 26.9 | Very low | 112 Ų | 112 | 158 Ų | 158 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | cis | -127 | 158.8 | -40.6 | 34 | -19.6 | 0 | 0 | 0 | 112.1 | ||||
| 473 | F | 23.7 | Very low | 26.8 | Very low | 207 Ų | 207 | 160 Ų | 160 | 91% | 0.908 | 81% | 0.813 | S | S | * | * | trans | -92.6 | 125.4 | 165.7 | -85 | -82.3 | 0 | 0 | 0 | 111.9 | ||||
| 474 | N | 23.6 | Very low | 27 | Very low | 161 Ų | 161 | 157.2 Ų | 157.2 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -73.6 | 130.9 | 167.8 | -108.9 | -32 | 0 | 0 | 0 | 109.7 | ||||
| 475 | I | 27.3 | Very low | 26.8 | Very low | 144 Ų | 144 | 157.8 Ų | 157.8 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | trans | -109.8 | 114.2 | 169.4 | -63.5 | -179.4 | 0 | 0 | 0 | 108.7 | L477 | I475-L477 PolarHBondContact O-N 3.44Š| ||
| 476 | H | 23.7 | Very low | 26.8 | Very low | 168 Ų | 168 | 159.2 Ų | 159.2 | 78% | 0.778 | 81% | 0.809 | S | S | * | * | trans | -73.1 | 113.5 | 174.8 | -116.2 | -101.6 | 0 | 0 | 0 | 110.2 | ||||
| 477 | L | 26.6 | Very low | 26.6 | Very low | 163 Ų | 163 | 158.2 Ų | 158.2 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -92.8 | 95.5 | 169.3 | -80.5 | 166 | 0 | 0 | 0 | 109.9 | I475 L479 | I475-L477 PolarHBondContact O-N 3.44Å; L477-L479 PolarHBondContact O-N 2.64Å | ||
| 478 | N | 25.2 | Very low | 26.5 | Very low | 145 Ų | 145 | 161.6 Ų | 161.6 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | trans | -75.3 | 110.4 | 170.7 | -76.8 | -14 | 0 | 0 | 0 | 109.9 | ||||
| 479 | L | 28.3 | Very low | 26.5 | Very low | 158 Ų | 158 | 164.9 Ų | 164.9 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -100 | 125.4 | 175.9 | -164.6 | 74.3 | 0 | 0 | 0 | 110.2 | L477 L481 | L477-L479 PolarHBondContact O-N 2.64Å; L479-L481 PolarHBondContact O-N 2.84Å | ||
| 480 | P | 28.9 | Very low | 26.3 | Very low | 116 Ų | 116 | 163.8 Ų | 163.8 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -71.9 | 122.5 | 178.4 | 27.6 | -32.4 | 0 | 0 | 0 | 111.1 | L482 | P480-L482 PolarHBondContact O-N 3.46Š| ||
| 481 | L | 24.3 | Very low | 26.4 | Very low | 147 Ų | 147 | 165.9 Ų | 165.9 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -91.9 | 102 | -171.8 | -168.1 | 156.6 | 0 | 0 | 0 | 111.1 | L479 K483 | L479-L481 PolarHBondContact O-N 2.84Å; L481-K483 HydrophobicContact CD2-CG 3.98Å; L481-K483 PolarHBondContact O-N 3.49Å | ||
| 482 | L | 27.4 | Very low | 26.4 | Very low | 174 Ų | 174 | 165.5 Ų | 165.5 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 119.1 | 170 | -79.6 | 171.5 | 0 | 0 | 0 | 110.3 | P480 | P480-L482 PolarHBondContact O-N 3.46Š|
| 483 | K | 26.7 | Very low | 26 | Very low | 192 Ų | 192 | 164 Ų | 164 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 117.1 | 172.1 | -73.8 | 179.8 | 174.6 | 176.2 | 0 | 110.1 | L481 | L481-K483 HydrophobicContact CD2-CG 3.98Å; L481-K483 PolarHBondContact O-N 3.49Å |
| 484 | E | 26.7 | Very low | 26.1 | Very low | 194 Ų | 194 | 158.1 Ų | 158.1 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 142.5 | 161.6 | -164.5 | 153.8 | -138.4 | 0 | 0 | 110 | ||
| 485 | K | 25.8 | Very low | 26.2 | Very low | 198 Ų | 198 | 159.6 Ų | 159.6 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -96.8 | 106.5 | -178.3 | -84.1 | -176.2 | 174.6 | 178.2 | 0 | 110.3 | K487 | K485-K487 PolarHBondContact O-N 3.12Š| ||
| 486 | E | 26.1 | Very low | 26.2 | Very low | 178 Ų | 178 | 161 Ų | 161 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -64.3 | 118.5 | 165.6 | -168.8 | -172.8 | 178.7 | 0 | 0 | 109.9 | ||||
| 487 | K | 24.7 | Very low | 26.3 | Very low | 165 Ų | 165 | 160.9 Ų | 160.9 | 72% | 0.717 | 81% | 0.811 | S | S | * | * | trans | -108.7 | 104.1 | 172.7 | -167.6 | -161 | 178.7 | -140.4 | 0 | 109.1 | K485 E489 | K485-K487 PolarHBondContact O-N 3.12Å; K487-E489 IonicContact NZ-OE1 3.94Å; K487-E489 PolarHBondContact NZ-OE1 2.9Å | ||
| 488 | R | 25 | Very low | 26.2 | Very low | 215 Ų | 215 | 162.1 Ų | 162.1 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -70.4 | 125.4 | 178.7 | -177.6 | -179.8 | -66 | -179.9 | -1.3 | 111.3 | ||||
| 489 | E | 26.9 | Very low | 26.2 | Very low | 157 Ų | 157 | 162 Ų | 162 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -129.3 | 153.8 | 165.4 | -123 | 151.8 | -116.1 | 0 | 0 | 109 | K487 | K487-E489 IonicContact NZ-OE1 3.94Å; K487-E489 PolarHBondContact NZ-OE1 2.9Å | ||
| 490 | K | 24.3 | Very low | 26.2 | Very low | 166 Ų | 166 | 163.2 Ų | 163.2 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -140.3 | 115.9 | -157.3 | -178.3 | -144.4 | 175.9 | -145.5 | 0 | 112.1 | E492 | K490-E492 IonicContact NZ-OE1 3.41Š| ||
| 491 | I | 30.2 | Very low | 26 | Very low | 156 Ų | 156 | 163.9 Ų | 163.9 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | -144.5 | 116.4 | 166.2 | -35.9 | -179.5 | 0 | 0 | 0 | 103.2 | ||||
| 492 | E | 26.6 | Very low | 26.1 | Very low | 159 Ų | 159 | 165.7 Ų | 165.7 | 74% | 0.743 | 82% | 0.824 | S | S | * | * | 45.9 | 129.7 | 82.7 | -75.4 | 166.2 | -154.3 | 0 | 0 | 112.6 | K490 | K490-E492 IonicContact NZ-OE1 3.41Š| |||
| 493 | G | 24.4 | Very low | 26.2 | Very low | 81 Ų | 81 | 164.9 Ų | 164.9 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | cis | 156.9 | 113.6 | -0.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 494 | G | 24.6 | Very low | 26.4 | Very low | 83 Ų | 83 | 161.6 Ų | 161.6 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | trans | 178.4 | 123.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 495 | E | 25.9 | Very low | 26.6 | Very low | 193 Ų | 193 | 157.5 Ų | 157.5 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -93.1 | 142.2 | 175.6 | -59.9 | 170.4 | 109.9 | 0 | 0 | 110 | ||||
| 496 | Q | 27.3 | Very low | 27 | Very low | 172 Ų | 172 | 156.3 Ų | 156.3 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -158.9 | 130.2 | 133.6 | -122.1 | -179.7 | -45.8 | 0 | 0 | 114.5 | ||||
| 497 | E | 25.9 | Very low | 27.3 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | 39.3 | 101.6 | 152.1 | -68.5 | 175.2 | 115.7 | 0 | 0 | 120.8 | ||||
| 498 | Q | 25.7 | Very low | 27.5 | Very low | 189 Ų | 189 | 152.4 Ų | 152.4 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -60.5 | 135.5 | 158.1 | 170.9 | -175.1 | 2.9 | 0 | 0 | 112.6 | ||||
| 499 | N | 25.3 | Very low | 27.8 | Very low | 144 Ų | 144 | 152 Ų | 152 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -151.9 | 130.3 | 157.6 | -125.2 | -37 | 0 | 0 | 0 | 115.4 | ||||
| 500 | Q | 26.8 | Very low | 28.3 | Very low | 182 Ų | 182 | 154.9 Ų | 154.9 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | 51.9 | 132.3 | 164.1 | -71.9 | 174.2 | 0.2 | 0 | 0 | 121.4 | ||||
| 501 | C | 24.5 | Very low | 28.6 | Very low | 130 Ų | 130 | 151.6 Ų | 151.6 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | trans | -85.3 | 142.2 | 176.3 | -50.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 502 | E | 26.8 | Very low | 28.7 | Very low | 186 Ų | 186 | 149.9 Ų | 149.9 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | trans | -109.6 | 141.8 | 164.7 | -165.2 | 168.1 | -142.4 | 0 | 0 | 110 | V504 | E502-V504 PolarHBondContact O-N 2.76Š| ||
| 503 | N | 29.7 | Very low | 29.1 | Very low | 156 Ų | 156 | 151.3 Ų | 151.3 | 83% | 0.834 | 83% | 0.83 | S | S | * | * | trans | -78.7 | 118.3 | -165.3 | -68.4 | -55.7 | 0 | 0 | 0 | 112.6 | P505 | N503-P505 VanDerWaalsContact O-CD 3.31Å; N503-P505 WeakPolarHBondContact O-CD 3.24Å | ||
| 504 | V | 31.5 | Very low | 29.3 | Very low | 124 Ų | 124 | 153.8 Ų | 153.8 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | trans | -85.3 | 115.1 | 174 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | E502 L506 | E502-V504 PolarHBondContact O-N 2.76Å; V504-L506 PolarHBondContact O-N 3.07Å | ||
| 505 | P | 31 | Very low | 29.6 | Very low | 107 Ų | 107 | 156.9 Ų | 156.9 | 70% | 0.695 | 82% | 0.824 | S | S | * | * | trans | -72.5 | 125.1 | 168.7 | 29.8 | -32.9 | 0 | 0 | 0 | 110.1 | N503 L507 | N503-P505 VanDerWaalsContact O-CD 3.31Å; N503-P505 WeakPolarHBondContact O-CD 3.24Å; P505-L507 PolarHBondContact O-N 2.8Å; P505-L507 VanDerWaalsContact O-N 3.1Å | ||
| 506 | L | 33.8 | Very low | 29.8 | Very low | 173 Ų | 173 | 153 Ų | 153 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | trans | -69.6 | 103.7 | 179.4 | -68.8 | 171.3 | 0 | 0 | 0 | 111.2 | V504 | V504-L506 PolarHBondContact O-N 3.07Š| ||
| 507 | L | 32.2 | Very low | 29.8 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -87.1 | 144.4 | 168.8 | -75.5 | 173.4 | 0 | 0 | 0 | 111.9 | P505 | P505-L507 PolarHBondContact O-N 2.8Å; P505-L507 VanDerWaalsContact O-N 3.1Å | ||
| 508 | S | 29.3 | Very low | 29.9 | Very low | 96 Ų | 96 | 149 Ų | 149 | 67% | 0.671 | 81% | 0.814 | S | S | * | * | trans | -60.2 | 149.8 | -171.4 | -175.8 | 0 | 0 | 0 | 0 | 114.6 | Y510 | S508-Y510 PolarHBondContact O-N 2.84Š| ||
| 509 | K | 31.6 | Very low | 30 | Very low | 206 Ų | 206 | 145.4 Ų | 145.4 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -66.9 | 28.1 | -179.8 | -87.7 | -170.6 | 172.5 | -177 | 0 | 115.8 | ||
| 510 | Y | 36.1 | Very low | 30 | Very low | 217 Ų | 217 | 143.5 Ų | 143.5 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -131.1 | 38.5 | -170.3 | -74.8 | -74 | 0 | 0 | 0 | 115.3 | S508 | S508-Y510 PolarHBondContact O-N 2.84Š| ||
| 511 | A | 32 | Very low | 30 | Very low | 97 Ų | 97 | 141 Ų | 141 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -140.9 | 49.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 512 | S | 32.2 | Very low | 30.1 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | -151 | 32.9 | -178.9 | -153.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 513 | Q | 34.4 | Very low | 30.6 | Very low | 190 Ų | 190 | 139.8 Ų | 139.8 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -142.7 | 110.4 | 167.3 | -68.2 | -168.7 | 12.2 | 0 | 0 | 111.2 | ||||
| 514 | V | 30 | Very low | 30.3 | Very low | 133 Ų | 133 | 142 Ų | 142 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | 175.3 | 107.9 | 141.2 | 154.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 515 | I | 29.8 | Very low | 30 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | -115.3 | 119.9 | 165.9 | -62.9 | 175.7 | 0 | 0 | 0 | 105.8 | T517 | I515-T517 PolarHBondContact O-N 3.39Š| ||
| 516 | P | 31.1 | Very low | 29.7 | Very low | 112 Ų | 112 | 144 Ų | 144 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -74.2 | 89.8 | 173.7 | -15.4 | 30.9 | 0 | 0 | 0 | 110.4 | T518 | P516-T518 PolarHBondContact O-N 3.02Š| ||
| 517 | T | 26.1 | Very low | 29.3 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | trans | -84.1 | 84.4 | 176.1 | -33.8 | 0 | 0 | 0 | 0 | 110.3 | I515 | I515-T517 PolarHBondContact O-N 3.39Š| ||
| 518 | T | 27.4 | Very low | 29.2 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 124 | 168.5 | 23.4 | 0 | 0 | 0 | 0 | 110.2 | P516 | P516-T518 PolarHBondContact O-N 3.02Š|
| 519 | P | 29.6 | Very low | 29.3 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 144.3 | 178.1 | 30 | -34.3 | 0 | 0 | 0 | 111.2 | ||
| 520 | A | 25.3 | Very low | 29.2 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 134.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 521 | V | 25.3 | Very low | 29 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | trans | -130.1 | 135.9 | 170.2 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 522 | H | 26.4 | Very low | 28.9 | Very low | 180 Ų | 180 | 135.2 Ų | 135.2 | 83% | 0.833 | 76% | 0.762 | S | S | * | * | trans | -116.1 | 153 | 172.9 | -128.6 | 22.2 | 0 | 0 | 0 | 109.2 | ||||
| 523 | P | 37.2 | Very low | 28.7 | Very low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | -85.7 | 146.6 | -154.4 | 32.7 | -36.6 | 0 | 0 | 0 | 114.5 | ||||
| 524 | Q | 24.7 | Very low | 28.4 | Very low | 203 Ų | 203 | 133.3 Ų | 133.3 | 95% | 0.949 | 75% | 0.751 | S | S | * | * | trans | -131.6 | 170 | 147 | -76.8 | -162.9 | -46.2 | 0 | 0 | 109.3 | ||||
| 525 | Q | 24.4 | Very low | 28.3 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | -129.6 | 167.6 | -150.5 | 178.6 | 176.4 | -17.5 | 0 | 0 | 111.3 | ||||
| 526 | S | 25.3 | Very low | 28.2 | Very low | 99 Ų | 99 | 131 Ų | 131 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | 78.4 | 141.9 | 173.5 | 71.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 527 | D | 25.8 | Very low | 28.1 | Very low | 123 Ų | 123 | 134 Ų | 134 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | cis | -164.7 | 156.3 | -20.8 | -101.9 | -29.4 | 0 | 0 | 0 | 111 | ||||
| 528 | H | 30.2 | Very low | 28.2 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | 59.2 | 140.1 | 155.4 | -71.2 | -49.1 | 0 | 0 | 0 | 119.4 | ||||
| 529 | L | 30.8 | Very low | 28.1 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 71% | 0.707 | 76% | 0.758 | S | S | * | * | cis | -153.6 | 172 | -0.2 | -94 | 156.1 | 0 | 0 | 0 | 106.3 | D531 | L529-D531 WeakPolarHBondContact CD2-OD2 3.49Š| ||
| 530 | S | 29.3 | Very low | 28 | Very low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | cis | -143.2 | 170.7 | 7.9 | -105 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 531 | D | 30.8 | Very low | 28.3 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 60% | 0.599 | 76% | 0.758 | S | S | * | * | cis | 75.4 | 133.8 | 48.7 | -39.6 | -44.7 | 0 | 0 | 0 | 113.6 | L529 | L529-D531 WeakPolarHBondContact CD2-OD2 3.49Š| ||
| 532 | E | 30.5 | Very low | 28.3 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | cis | -153 | 176.7 | 2.9 | -122.2 | 169.6 | 167.5 | 0 | 0 | 107.9 | ||||
| 533 | Y | 28.6 | Very low | 28.3 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | cis | -151.6 | 151.7 | 25.2 | -137.4 | -68.9 | 0 | 0 | 0 | 112.3 | ||||
| 534 | G | 27.1 | Very low | 27.7 | Very low | 71 Ų | 71 | 138.8 Ų | 138.8 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | -167.2 | 134.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 535 | A | 28.6 | Very low | 27.8 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | -145.7 | 133.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 536 | L | 28.8 | Very low | 28.1 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | cis | 84.3 | 101.6 | 23.7 | -153.5 | 179.5 | 0 | 0 | 0 | 114 | Q538 | L536-Q538 HydrophobicContact CD2-CB 4.37Š| ||
| 537 | I | 27.2 | Very low | 28.1 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -130.5 | 152.1 | 150.6 | -73.4 | -172 | 0 | 0 | 0 | 108.5 | ||||
| 538 | Q | 29.9 | Very low | 28.3 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -131.2 | 145.4 | -166.2 | 178.2 | -175.3 | 11.3 | 0 | 0 | 109.8 | L536 | L536-Q538 HydrophobicContact CD2-CB 4.37Š| ||
| 539 | A | 25.3 | Very low | 28 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -148.9 | 148 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 540 | T | 27.6 | Very low | 27.7 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | -126.9 | 122.2 | -174.3 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 541 | A | 30.2 | Very low | 27.5 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 29.1 | 123.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 542 | Q | 25.6 | Very low | 27.3 | Very low | 205 Ų | 205 | 143 Ų | 143 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | trans | -145.6 | 167.8 | 141.8 | -106.3 | -179.8 | 22.7 | 0 | 0 | 110.9 | ||||
| 543 | K | 26.8 | Very low | 27.2 | Very low | 206 Ų | 206 | 144.7 Ų | 144.7 | 90% | 0.896 | 81% | 0.809 | S | S | * | * | trans | -86.4 | 148 | -179.6 | -65 | 175.9 | 174.3 | 179.8 | 0 | 111.5 | ||||
| 544 | A | 24.6 | Very low | 27 | Very low | 91 Ų | 91 | 140.9 Ų | 140.9 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | 179.8 | 144.3 | 114.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 545 | E | 26.9 | Very low | 27 | Very low | 201 Ų | 201 | 142.1 Ų | 142.1 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | trans | 56.5 | 178.7 | 150.3 | -69.2 | -179.2 | 179 | 0 | 0 | 120.5 | ||||
| 546 | A | 29.9 | Very low | 26.9 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | -115.1 | 150.5 | -153.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 547 | G | 26.4 | Very low | 26.7 | Very low | 74 Ų | 74 | 150.6 Ų | 150.6 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | -159.5 | 110 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 548 | D | 29.4 | Very low | 26.6 | Very low | 144 Ų | 144 | 149.3 Ų | 149.3 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | -69.3 | 128.9 | 162.5 | 171.6 | 30.2 | 0 | 0 | 0 | 108.4 | ||||
| 549 | F | 24.6 | Very low | 27 | Very low | 201 Ų | 201 | 146.9 Ų | 146.9 | 88% | 0.882 | 82% | 0.816 | S | S | * | * | trans | -156.4 | 109.5 | 150.4 | -110.7 | -69.1 | 0 | 0 | 0 | 111.7 | M551 | F549-M551 PolarHBondContact O-N 2.7Š| ||
| 550 | K | 24.7 | Very low | 27 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 61% | 0.613 | 81% | 0.811 | S | S | * | * | trans | -44.6 | 114 | 163.9 | 177.1 | -162.2 | -179.7 | -150.6 | 0 | 112 | E552 | K550-E552 WeakPolarHBondContact CE-OE1 3.49Å; K550-E552 IonicContact NZ-OE1 2.61Å; K550-E552 PolarHBondContact NZ-OE1 3.21Å; K550-E552 IonicContact NZ-OE2 2.89Å; K550-E552 PolarHBondContact NZ-OE2 2.94Å; K550-E552 PolarHBondContact O-N 2.89Å | ||
| 551 | M | 25 | Very low | 27 | Very low | 192 Ų | 192 | 147.3 Ų | 147.3 | 95% | 0.946 | 82% | 0.817 | S | S | * | * | trans | -85.7 | 108.3 | 170.5 | -166.3 | 167.8 | -169.2 | 0 | 0 | 110.6 | F549 | F549-M551 PolarHBondContact O-N 2.7Š| ||
| 552 | E | 26.2 | Very low | 26.9 | Very low | 130 Ų | 130 | 150.7 Ų | 150.7 | 61% | 0.607 | 82% | 0.819 | S | S | * | * | trans | -87.6 | 147.1 | -177.3 | -162.3 | 132.2 | -126.9 | 0 | 0 | 111.6 | K550 C554 | K550-E552 WeakPolarHBondContact CE-OE1 3.49Å; K550-E552 IonicContact NZ-OE1 2.61Å; K550-E552 PolarHBondContact NZ-OE1 3.21Å; K550-E552 IonicContact NZ-OE2 2.89Å; K550-E552 PolarHBondContact NZ-OE2 2.94Å; K550-E552 PolarHBondContact O-N 2.89Å; E552-C554 PolarHBondContact O-N 2.61Å | ||
| 553 | M | 28.2 | Very low | 27.1 | Very low | 182 Ų | 182 | 148 Ų | 148 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -93.9 | 95.1 | -170.7 | -176.3 | 172 | 174.1 | 0 | 0 | 111.5 | ||||
| 554 | C | 24.7 | Very low | 27.1 | Very low | 119 Ų | 119 | 145 Ų | 145 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -91.2 | 113.1 | 177.8 | -74.1 | 0 | 0 | 0 | 0 | 112.9 | E552 | E552-C554 PolarHBondContact O-N 2.61Š| ||
| 555 | S | 27.5 | Very low | 27.1 | Very low | 97 Ų | 97 | 149.9 Ų | 149.9 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -67 | 140.5 | 163.2 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 556 | N | 24.8 | Very low | 27.2 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | 164.5 | 125.8 | 124.6 | -82.4 | -20.7 | 0 | 0 | 0 | 111 | |||||
| 557 | W | 24.3 | Very low | 27 | Very low | 247 Ų | 247 | 148.3 Ų | 148.3 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | trans | -133.9 | 124.9 | 165.4 | -168 | -84.4 | 0 | 0 | 0 | 108.6 | ||||
| 558 | N | 26.3 | Very low | 26.9 | Very low | 148 Ų | 148 | 153.2 Ų | 153.2 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -112.3 | 139 | -177.5 | -155 | 31.8 | 0 | 0 | 0 | 108.8 | ||||
| 559 | P | 37.2 | Very low | 27.1 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -87.3 | 148.5 | -165.7 | 33.8 | -34.1 | 0 | 0 | 0 | 113.5 | ||||
| 560 | G | 25.9 | Very low | 27.2 | Very low | 72 Ų | 72 | 145.5 Ų | 145.5 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -167.4 | 137.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 561 | N | 27.7 | Very low | 27.3 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | 51.3 | 105.1 | 173.4 | -70.7 | -3.8 | 0 | 0 | 0 | 119.1 | ||||
| 562 | I | 27.8 | Very low | 27.2 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -126.8 | 127.3 | 136.4 | -63.7 | -179.1 | 0 | 0 | 0 | 107.1 | ||||
| 563 | Q | 29.5 | Very low | 27.1 | Very low | 148 Ų | 148 | 146.5 Ų | 146.5 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | -101 | 135.1 | 171.9 | -168.9 | 83.6 | 21.8 | 0 | 0 | 108.7 | ||||
| 564 | E | 26.6 | Very low | 27 | Very low | 143 Ų | 143 | 145.7 Ų | 145.7 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | trans | 39.8 | 118.3 | 156.9 | -70.2 | 164.3 | -144.8 | 0 | 0 | 121.2 | ||||
| 565 | M | 25 | Very low | 27 | Very low | 194 Ų | 194 | 145.3 Ų | 145.3 | 96% | 0.956 | 80% | 0.801 | S | S | * | * | -132.3 | 149.9 | 119.9 | -83.7 | -161.7 | 172.6 | 0 | 0 | 109.9 | |||||
| 566 | L | 29.2 | Very low | 26.9 | Very low | 155 Ų | 155 | 148.9 Ų | 148.9 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 147.1 | -166 | -69 | 163 | 0 | 0 | 0 | 113.6 | ||
| 567 | P | 26.9 | Very low | 27 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 143.8 | 168.5 | 33.8 | -33.3 | 0 | 0 | 0 | 111.9 | ||
| 568 | M | 24.4 | Very low | 27.1 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 151.2 | 167.2 | -80.6 | -68.1 | -77.1 | 0 | 0 | 111.1 | ||
| 569 | P | 33.2 | Very low | 27.4 | Very low | 109 Ų | 109 | 151.2 Ų | 151.2 | 71% | 0.708 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -86 | 148.1 | -153 | 32.4 | -37 | 0 | 0 | 0 | 115 | ||
| 570 | G | 25.9 | Very low | 26.8 | Very low | 74 Ų | 74 | 149.6 Ų | 149.6 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 137.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 571 | M | 26.3 | Very low | 26.9 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | trans | -87.1 | 115.6 | 171.8 | -74.9 | -178.7 | 167.3 | 0 | 0 | 110.7 | F573 | M571-F573 HydrophobicContact CB-CE2 4.49Š| ||
| 572 | T | 24.1 | Very low | 26.8 | Very low | 137 Ų | 137 | 151.3 Ų | 151.3 | 84% | 0.84 | 83% | 0.828 | S | S | * | * | trans | -94.7 | 125.1 | 162.4 | 43.2 | 0 | 0 | 0 | 0 | 109.3 | N574 | T572-N574 PolarHBondContact O-N 2.84Š| ||
| 573 | F | 24.6 | Very low | 27 | Very low | 178 Ų | 178 | 152.1 Ų | 152.1 | 78% | 0.781 | 83% | 0.828 | S | S | * | * | trans | -86 | 112.4 | 173.5 | -79.5 | -86.2 | 0 | 0 | 0 | 109.9 | M571 | M571-F573 HydrophobicContact CB-CE2 4.49Š| ||
| 574 | N | 24.8 | Very low | 27.7 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -96.3 | 119 | 169.1 | -141.3 | 28.6 | 0 | 0 | 0 | 107.5 | T572 | T572-N574 PolarHBondContact O-N 2.84Š| ||
| 575 | C | 26.1 | Very low | 27.8 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 75% | 0.75 | 84% | 0.838 | S | S | * | * | trans | -110.2 | 101.4 | 177.8 | -70.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 576 | D | 24.9 | Very low | 28.1 | Very low | 171 Ų | 171 | 145.5 Ų | 145.5 | 91% | 0.914 | 82% | 0.821 | S | S | * | * | trans | -170.4 | 105.2 | 149.1 | -104.5 | -24.2 | 0 | 0 | 0 | 110 | ||||
| 577 | E | 26.7 | Very low | 28.1 | Very low | 196 Ų | 196 | 148.9 Ų | 148.9 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -142.1 | 150.1 | 157.3 | -169.7 | 157.9 | -144.8 | 0 | 0 | 110.6 | ||||
| 578 | R | 27.2 | Very low | 28.2 | Very low | 229 Ų | 229 | 146.7 Ų | 146.7 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -74.9 | 143.9 | -166 | -63.4 | 164.9 | 169 | 151.3 | -6.5 | 113.1 | ||||
| 579 | L | 30.9 | Very low | 28.5 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 95% | 0.953 | 82% | 0.816 | S | S | * | * | -99.9 | 143.3 | 126 | -91.9 | 82.5 | 0 | 0 | 0 | 108.5 | |||||
| 580 | G | 26.1 | Very low | 28.6 | Very low | 78 Ų | 78 | 147.9 Ų | 147.9 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -124.1 | 160.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 581 | G | 26.4 | Very low | 28.8 | Very low | 73 Ų | 73 | 151.9 Ų | 151.9 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | 151.6 | 81.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 582 | M | 25.5 | Very low | 29.1 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 97% | 0.97 | 82% | 0.815 | S | S | * | * | trans | -167.9 | 168.3 | 140.1 | -126.4 | 54.5 | 171 | 0 | 0 | 110.5 | ||||
| 583 | Q | 32.3 | Very low | 29.4 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -108.8 | 179.5 | -165.4 | -106.1 | -160.4 | -17.9 | 0 | 0 | 114 | ||||
| 584 | P | 44.5 | Very low | 29.5 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | trans | -106.6 | 175.9 | -142.6 | 42.7 | -39.5 | 0 | 0 | 0 | 116.4 | ||||
| 585 | S | 28.8 | Very low | 29.6 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -155.2 | 107 | 161.8 | -177.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 586 | D | 30.5 | Very low | 29.8 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 60% | 0.604 | 82% | 0.815 | S | S | * | * | trans | 35.3 | 130 | 137.2 | -88 | 1.7 | 0 | 0 | 0 | 126.4 | ||||
| 587 | R | 29.9 | Very low | 29.8 | Very low | 227 Ų | 227 | 144.1 Ų | 144.1 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | 82 | 148 | 130.1 | -74.1 | -176 | -111.8 | -170.7 | -2.7 | 123.6 | ||||
| 588 | G | 28.3 | Very low | 30 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | 92.7 | 110.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 589 | K | 32.3 | Very low | 30 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | cis | 81.4 | 136.8 | 10.3 | -147.5 | 179.8 | -178.5 | -68.5 | 0 | 116.5 | ||||
| 590 | E | 34.8 | Very low | 29.9 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | trans | 69.8 | 141.7 | 175.3 | -72.4 | 134.4 | -136.3 | 0 | 0 | 116.8 | ||||
| 591 | D | 30.8 | Very low | 30.1 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | cis | -157.7 | 177.6 | -17.8 | -119.2 | 1.3 | 0 | 0 | 0 | 112.1 | ||||
| 592 | S | 31.8 | Very low | 30.2 | Very low | 110 Ų | 110 | 147.8 Ų | 147.8 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -122 | 131.5 | -175.4 | -177.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 593 | I | 30.6 | Very low | 30.4 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -172.1 | 138.1 | 167.6 | -93 | 142.6 | 0 | 0 | 0 | 104.1 | ||||
| 594 | G | 26.8 | Very low | 30.1 | Very low | 74 Ų | 74 | 147.1 Ų | 147.1 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | cis | 105.2 | 114.4 | 23.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 595 | G | 26.2 | Very low | 29.3 | Very low | 75 Ų | 75 | 147.3 Ų | 147.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | cis | 150.6 | 123.7 | -3.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 596 | T | 30.6 | Very low | 29.3 | Very low | 144 Ų | 144 | 148.9 Ų | 148.9 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -142.4 | 129.7 | -175.8 | -33.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 597 | F | 25.6 | Very low | 29.2 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -91.4 | 155.6 | 168.7 | -115.3 | -132.9 | 0 | 0 | 0 | 108.2 | ||||
| 598 | E | 30 | Very low | 29 | Very low | 186 Ų | 186 | 145.9 Ų | 145.9 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | cis | -154.9 | 177.5 | 41.3 | -70.1 | -170.2 | 128.1 | 0 | 0 | 109.3 | ||||
| 599 | G | 28.3 | Very low | 29.1 | Very low | 62 Ų | 62 | 149.7 Ų | 149.7 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | cis | 153 | 105.3 | -5.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 600 | K | 28.7 | Very low | 28.9 | Very low | 184 Ų | 184 | 147.1 Ų | 147.1 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | 164.2 | 142.7 | 167.4 | -93.2 | 149.5 | -172 | 168.9 | 0 | 105.6 | ||||
| 601 | Y | 30 | Very low | 28.6 | Very low | 217 Ų | 217 | 147.3 Ų | 147.3 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | cis | -136 | 172.2 | 24.2 | -62.8 | -95.7 | 0 | 0 | 0 | 111.5 | ||||
| 602 | M | 28 | Very low | 28.4 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -85.2 | 144.9 | 172.9 | -76 | -156.4 | -176.8 | 0 | 0 | 113.4 | ||||
| 603 | T | 29.6 | Very low | 28.2 | Very low | 153 Ų | 153 | 151 Ų | 151 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | trans | -161 | 135.5 | 136.7 | -1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 604 | R | 25.2 | Very low | 28.4 | Very low | 219 Ų | 219 | 150.9 Ų | 150.9 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -156.6 | 141.7 | 179.7 | 171.5 | 167.4 | -178.9 | 167.7 | 3.6 | 110.3 | ||||
| 605 | N | 28.3 | Very low | 28.3 | Very low | 119 Ų | 119 | 159.1 Ų | 159.1 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | trans | 70 | 156.1 | -176.8 | -48.9 | -22.8 | 0 | 0 | 0 | 113 | ||||
| 606 | H | 29.6 | Very low | 28.4 | Very low | 151 Ų | 151 | 164.3 Ų | 164.3 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | cis | -162.9 | 151 | 12.3 | -122.5 | -35.1 | 0 | 0 | 0 | 111.4 | ||||
| 607 | L | 27.7 | Very low | 28.2 | Very low | 143 Ų | 143 | 162 Ų | 162 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | 67.2 | 162.3 | 147.7 | -59.1 | 166 | 0 | 0 | 0 | 118.2 | ||||
| 608 | K | 26.6 | Very low | 28.3 | Very low | 134 Ų | 134 | 158.2 Ų | 158.2 | 58% | 0.583 | 79% | 0.792 | S | S | * | * | cis | -152.4 | 172 | 1.7 | -145 | -169.3 | 178.7 | -149.2 | 0 | 112.8 | E610 | K608-E610 WeakPolarHBondContact CE-OE1 3.24Å; K608-E610 VanDerWaalsContact CE-OE2 3.24Å; K608-E610 WeakPolarHBondContact CE-OE2 3.2Å; K608-E610 IonicContact NZ-OE1 2.64Å; K608-E610 PolarHBondContact NZ-OE1 3.32Å; K608-E610 IonicContact NZ-OE2 2.7Å; K608-E610 PolarHBondContact NZ-OE2 2.96Å | ||
| 609 | L | 28.9 | Very low | 28.3 | Very low | 152 Ų | 152 | 156.2 Ų | 156.2 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | 108.4 | 132.3 | 149.5 | -71.4 | 126.9 | 0 | 0 | 0 | 117.5 | ||||
| 610 | E | 28.7 | Very low | 28.4 | Very low | 118 Ų | 118 | 162.6 Ų | 162.6 | 55% | 0.551 | 80% | 0.801 | S | S | * | * | cis | -153.9 | 168.7 | -38.4 | -158.3 | 115.8 | -159.8 | 0 | 0 | 108.8 | K608 | K608-E610 WeakPolarHBondContact CE-OE1 3.24Å; K608-E610 VanDerWaalsContact CE-OE2 3.24Å; K608-E610 WeakPolarHBondContact CE-OE2 3.2Å; K608-E610 IonicContact NZ-OE1 2.64Å; K608-E610 PolarHBondContact NZ-OE1 3.32Å; K608-E610 IonicContact NZ-OE2 2.7Å; K608-E610 PolarHBondContact NZ-OE2 2.96Å | ||
| 611 | N | 29.2 | Very low | 28.4 | Very low | 144 Ų | 144 | 157.5 Ų | 157.5 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -88.7 | 154.9 | -168.4 | -49.6 | -61.9 | 0 | 0 | 0 | 113.7 | ||||
| 612 | V | 26.3 | Very low | 28.2 | Very low | 138 Ų | 138 | 152.6 Ų | 152.6 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -126.2 | 113.5 | 156.8 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 613 | F | 28 | Very low | 28.1 | Very low | 207 Ų | 207 | 147.5 Ų | 147.5 | 91% | 0.908 | 80% | 0.8 | S | S | * | * | trans | -148.4 | 150.4 | 167 | -102.5 | -77.9 | 0 | 0 | 0 | 110.2 | ||||
| 614 | L | 33.9 | Very low | 28.1 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -91 | 146.6 | -168.5 | -70.2 | 152.4 | 0 | 0 | 0 | 113.6 | ||||
| 615 | R | 24.8 | Very low | 28.3 | Very low | 247 Ų | 247 | 141.9 Ų | 141.9 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | trans | -161.1 | 162.8 | 133.2 | -121 | 174.4 | 174.3 | 158.4 | -0.9 | 113.7 | ||||
| 616 | Q | 27.4 | Very low | 28.2 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -93.6 | 160.2 | -177 | -54.9 | 152.5 | -83.1 | 0 | 0 | 111.4 | ||||
| 617 | A | 27 | Very low | 28.2 | Very low | 96 Ų | 96 | 142 Ų | 142 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | 162.7 | 158.8 | 104.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 618 | S | 27.9 | Very low | 28.4 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | 83.5 | 144.9 | 154.2 | -148 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 619 | D | 29.9 | Very low | 28.6 | Very low | 144 Ų | 144 | 144 Ų | 144 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -80.9 | 158.9 | 175.6 | -48.2 | -90.2 | 0 | 0 | 0 | 113.3 | ||||
| 620 | E | 31.1 | Very low | 28.6 | Very low | 196 Ų | 196 | 144.8 Ų | 144.8 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | 168.8 | 166.6 | 114.9 | -94.2 | -161.3 | 149.3 | 0 | 0 | 112.2 | |||||
| 621 | G | 27.7 | Very low | 28.8 | Very low | 78 Ų | 78 | 146.5 Ų | 146.5 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 97.6 | 100.3 | 139 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 622 | A | 27 | Very low | 29.1 | Very low | 113 Ų | 113 | 145.2 Ų | 145.2 | 93% | 0.934 | 81% | 0.808 | S | S | * | * | trans | -50.3 | 152.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 623 | G | 26 | Very low | 29.5 | Very low | 79 Ų | 79 | 146.8 Ų | 146.8 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | -166.6 | 127.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 624 | A | 28.9 | Very low | 29.9 | Very low | 96 Ų | 96 | 145.2 Ų | 145.2 | 79% | 0.793 | 81% | 0.81 | S | S | * | * | trans | -83.4 | -178.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 625 | Q | 29.7 | Very low | 30.1 | Very low | 159 Ų | 159 | 142.2 Ų | 142.2 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | cis | -172.8 | 158.2 | 28.8 | -153.5 | 171.6 | -36 | 0 | 0 | 109.9 | ||||
| 626 | M | 27.1 | Very low | 30.7 | Very low | 133 Ų | 133 | 139.3 Ų | 139.3 | 66% | 0.655 | 80% | 0.797 | S | S | * | * | trans | 63.7 | 149.2 | 153.3 | -81.8 | 158.3 | 112.3 | 0 | 0 | 119.2 | ||||
| 627 | E | 29 | Very low | 31.2 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 65% | 0.645 | 80% | 0.8 | S | S | * | * | cis | -164.8 | 168.2 | -20.3 | -135.1 | 161.8 | -151.2 | 0 | 0 | 108.5 | ||||
| 628 | E | 32 | Very low | 31.7 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 58.8 | 142.5 | 152.4 | -80.4 | 179.7 | -175.2 | 0 | 0 | 120.3 | ||||
| 629 | D | 29.5 | Very low | 31.9 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | cis | -161.7 | -170.8 | -8.5 | -164.7 | 12.5 | 0 | 0 | 0 | 110 | ||||
| 630 | M | 30.6 | Very low | 32.3 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 84% | 0.837 | 80% | 0.803 | S | S | * | * | trans | 99.7 | 79.4 | 158 | -154.4 | 177 | 67.1 | 0 | 0 | 116.9 | ||||
| 631 | D | 32.8 | Very low | 32.5 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -54.3 | -176.7 | 160.6 | -126 | -39 | 0 | 0 | 0 | 116.1 | ||||
| 632 | N | 35 | Very low | 32.8 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 63% | 0.626 | 79% | 0.79 | S | S | * | * | trans | 102.8 | 57.3 | 148.7 | -158.3 | 13.4 | 0 | 0 | 0 | 120.5 | S635 | N632-S635 PolarHBondContact OD1-OG 3.27Š| ||
| 633 | I | 33.5 | Very low | 33.3 | Very low | 170 Ų | 170 | 147.5 Ų | 147.5 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -136.6 | 51.1 | 152.2 | -38.4 | 177.9 | 0 | 0 | 0 | 112.7 | ||
| 634 | L | 36.9 | Very low | 34.3 | Very low | 174 Ų | 174 | 151 Ų | 151 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -128.6 | 0.7 | 171 | -79.7 | 177.8 | 0 | 0 | 0 | 115.5 | K636 | L634-K636 VanDerWaalsContact C-N 3.27Å; L634-K636 PolarHBondContact O-N 3.37Å | ||
| 635 | S | 39.2 | Very low | 35 | Very low | 103 Ų | 103 | 157.6 Ų | 157.6 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 50 | -177.9 | 46.5 | 0 | 0 | 0 | 0 | 114.2 | N632 | N632-S635 PolarHBondContact OD1-OG 3.27Š|
| 636 | K | 36.6 | Very low | 35.3 | Very low | 186 Ų | 186 | 157.6 Ų | 157.6 | 81% | 0.809 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.2 | 17.6 | -179.2 | -141.6 | 178.6 | -179.7 | 169.1 | 0 | 119.1 | L634 | L634-K636 VanDerWaalsContact C-N 3.27Å; L634-K636 PolarHBondContact O-N 3.37Å |
| 637 | W | 37.1 | Very low | 35.7 | Very low | 245 Ų | 245 | 158.8 Ų | 158.8 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -134.1 | 98.1 | 164.4 | -69.8 | 106 | 0 | 0 | 0 | 111.4 | L639 | W637-L639 PolarHBondContact O-N 2.62Š| ||
| 638 | H | 37.7 | Very low | 36.1 | Very low | 188 Ų | 188 | 160 Ų | 160 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | trans | -63.6 | 119 | 164.6 | -101.3 | -90.1 | 0 | 0 | 0 | 109.4 | ||||
| 639 | L | 31.9 | Very low | 36.3 | Very low | 151 Ų | 151 | 159.5 Ų | 159.5 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | trans | -146.4 | 109 | 163 | -112.7 | 162.1 | 0 | 0 | 0 | 108.2 | W637 | W637-L639 PolarHBondContact O-N 2.62Š| ||
| 640 | V | 39.6 | Very low | 36.8 | Very low | 130 Ų | 130 | 160.1 Ų | 160.1 | 79% | 0.788 | 83% | 0.828 | S | S | * | * | trans | -91.4 | 129.9 | 173.5 | 176.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 641 | I | 35 | Very low | 37.2 | Very low | 146 Ų | 146 | 159.4 Ų | 159.4 | 75% | 0.749 | 83% | 0.827 | S | S | * | * | trans | -127.6 | 141.1 | 164.9 | -60.7 | -178.7 | 0 | 0 | 0 | 105.9 | ||||
| 642 | S | 32.9 | Very low | 37.5 | Very low | 100 Ų | 100 | 159.8 Ų | 159.8 | 70% | 0.699 | 83% | 0.827 | S | S | * | * | trans | -73.1 | 145.6 | 179.9 | -159 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 643 | N | 37.6 | Very low | 37.7 | Very low | 139 Ų | 139 | 163.1 Ų | 163.1 | 74% | 0.743 | 84% | 0.843 | S | S | * | * | trans | -74.8 | 143.7 | 151.4 | -69.9 | 17.4 | 0 | 0 | 0 | 108.3 | ||||
| 644 | D | 47.2 | Very low | 38 | Very low | 154 Ų | 154 | 162.5 Ų | 162.5 | 82% | 0.824 | 84% | 0.84 | S | S | * | * | trans | -106 | 161.8 | 141.8 | -76.1 | -53.4 | 0 | 0 | 0 | 106.5 | ||||
| 645 | D | 44.3 | Very low | 38.1 | Very low | 234 Ų | 234 | 161.5 Ų | 161.5 | 100% | 1.251 | 83% | 0.834 | S | S | * | * | trans | 67.1 | 0 | -169.1 | -59.7 | -25.2 | 0 | 0 | 0 | 116.4 |
Retrieved 645 of 645 residues in 486.5 ms
(Link to these results)