| 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 | 52.7 | Low | 51.9 | Low | 237 Ų | 237 | 114 Ų | 114 | 100% | 1.167 | 63% | 0.631 | S | S | * | * | 0 | 61 | 0 | -70.7 | 176.4 | -91.1 | 0 | 0 | 111.3 | |||||
| 2 | A | 46.3 | Very low | 51.4 | Low | 72 Ų | 72 | 112.9 Ų | 112.9 | 60% | 0.595 | 62% | 0.622 | S | S | * | * | trans | -126.2 | -37.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A4 | A2-A4 PolarHBondContact O-N 3.14Š| ||
| 3 | S | 48 | Very low | 50.9 | Low | 92 Ų | 92 | 113.1 Ų | 113.1 | 64% | 0.643 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61 | -38.2 | -178.3 | 177.3 | 0 | 0 | 0 | 0 | 114.6 | W5 I6 T7 | S3-W5 VanDerWaalsContact C-N 3.3Å; S3-W5 PolarHBondContact O-N 3.19Å; S3-I6 PolarHBondContact O-N 3.38Å; S3-T7 PolarHBondContact O-N 3.38Å; S3-T7 PolarHBondContact O-OG1 3.18Å |
| 4 | A | 50.2 | Low | 50.3 | Low | 68 Ų | 68 | 113.4 Ų | 113.4 | 56% | 0.562 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.8 | -20.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A2 T7 | A2-A4 PolarHBondContact O-N 3.14Å; A4-T7 PolarHBondContact O-OG1 3.1Å |
| 5 | W | 48.3 | Very low | 49.8 | Very low | 187 Ų | 187 | 110.4 Ų | 110.4 | 71% | 0.708 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -84.1 | -31.9 | 177.7 | -78.6 | 83.6 | 0 | 0 | 0 | 112.5 | S3 F9 | S3-W5 VanDerWaalsContact C-N 3.3Å; S3-W5 PolarHBondContact O-N 3.19Å; W5-F9 PolarHBondContact O-N 3.19Å |
| 6 | I | 54.8 | Low | 49 | Very low | 125 Ų | 125 | 114.3 Ų | 114.3 | 64% | 0.641 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.7 | -40.5 | 179.7 | -60.9 | 171.9 | 0 | 0 | 0 | 110.4 | S3 F9 A10 | S3-I6 PolarHBondContact O-N 3.38Å; I6-F9 PolarHBondContact O-N 2.99Å; I6-A10 WeakPolarHBondContact O-CB 3.36Å; I6-A10 PolarHBondContact O-N 3.26Å |
| 7 | T | 54.9 | Low | 48.6 | Very low | 80 Ų | 80 | 114.2 Ų | 114.2 | 49% | 0.491 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.7 | -41.9 | 176.7 | 43.1 | 0 | 0 | 0 | 0 | 112.4 | S3 A4 F9 A10 T11 | S3-T7 PolarHBondContact O-N 3.38Å; S3-T7 PolarHBondContact O-OG1 3.18Å; A4-T7 PolarHBondContact O-OG1 3.1Å; T7-F9 PolarHBondContact O-N 3.44Å; T7-A10 PolarHBondContact O-N 3.27Å; T7-T11 PolarHBondContact O-N 3.14Å; T7-T11 PolarHBondContact O-OG1 3.1Å; T7-T11 VanDerWaalsContact O-OG1 3.14Å |
| 8 | M | 54.7 | Low | 47.8 | Very low | 129 Ų | 129 | 114.9 Ų | 114.9 | 64% | 0.635 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60.1 | -42.1 | 174.6 | -87 | -70.7 | -68.1 | 0 | 0 | 113.5 | T11 L12 | M8-T11 PolarHBondContact O-OG1 2.69Å; M8-T11 VanDerWaalsContact O-OG1 3.1Å; M8-L12 WeakPolarHBondContact O-CB 3.39Å; M8-L12 PolarHBondContact O-N 2.84Å; M8-L12 VanDerWaalsContact O-N 3.14Å |
| 9 | F | 54.7 | Low | 46.9 | Very low | 131 Ų | 131 | 111.7 Ų | 111.7 | 58% | 0.575 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.5 | -35.9 | 176.3 | -95.5 | -84.6 | 0 | 0 | 0 | 112.6 | W5 I6 T7 L12 L13 | W5-F9 PolarHBondContact O-N 3.19Å; I6-F9 PolarHBondContact O-N 2.99Å; T7-F9 PolarHBondContact O-N 3.44Å; F9-L12 PolarHBondContact O-N 3.35Å; F9-L13 WeakPolarHBondContact O-CB 3.46Å; F9-L13 PolarHBondContact O-N 2.81Å |
| 10 | A | 53.2 | Low | 46.2 | Very low | 48 Ų | 48 | 112 Ų | 112 | 40% | 0.397 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65 | -42.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I6 T7 L14 | I6-A10 WeakPolarHBondContact O-CB 3.36Å; I6-A10 PolarHBondContact O-N 3.26Å; T7-A10 PolarHBondContact O-N 3.27Å; A10-L14 WeakPolarHBondContact O-CB 3.46Å; A10-L14 WeakPolarHBondContact O-CG 3.41Å; A10-L14 PolarHBondContact O-N 2.82Å |
| 11 | T | 53.4 | Low | 45.5 | Very low | 85 Ų | 85 | 114.2 Ų | 114.2 | 52% | 0.521 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.5 | -36.6 | 176.7 | 52 | 0 | 0 | 0 | 0 | 112.4 | T7 M8 L14 A15 | T7-T11 PolarHBondContact O-N 3.14Å; T7-T11 PolarHBondContact O-OG1 3.1Å; T7-T11 VanDerWaalsContact O-OG1 3.14Å; M8-T11 PolarHBondContact O-OG1 2.69Å; M8-T11 VanDerWaalsContact O-OG1 3.1Å; T11-L14 PolarHBondContact O-N 2.97Å; T11-A15 WeakPolarHBondContact O-CB 3.32Å; T11-A15 PolarHBondContact O-N 2.84Å |
| 12 | L | 46 | Very low | 44.4 | Very low | 101 Ų | 101 | 110 Ų | 110 | 53% | 0.529 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.4 | -41.4 | 175.6 | -156.2 | 78.1 | 0 | 0 | 0 | 111.9 | M8 F9 A15 F16 | M8-L12 WeakPolarHBondContact O-CB 3.39Å; M8-L12 PolarHBondContact O-N 2.84Å; M8-L12 VanDerWaalsContact O-N 3.14Å; F9-L12 PolarHBondContact O-N 3.35Å; L12-A15 PolarHBondContact O-N 2.74Å; L12-F16 PolarHBondContact O-N 3.18Å |
| 13 | L | 44.7 | Very low | 43.5 | Very low | 115 Ų | 115 | 112.2 Ų | 112.2 | 60% | 0.602 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.7 | -41.1 | 175.4 | -82.8 | 162.1 | 0 | 0 | 0 | 112.4 | F9 A15 F16 V17 | F9-L13 WeakPolarHBondContact O-CB 3.46Å; F9-L13 PolarHBondContact O-N 2.81Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 3.22Å; L13-F16 PolarHBondContact O-N 3.2Å; L13-V17 WeakPolarHBondContact O-CG2 3.21Å; L13-V17 PolarHBondContact O-N 2.96Å; L13-V17 VanDerWaalsContact O-N 3.09Å |
| 14 | L | 42.3 | Very low | 42.7 | Very low | 117 Ų | 117 | 113.2 Ų | 113.2 | 61% | 0.613 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.7 | -34.9 | 175 | -77 | 165.2 | 0 | 0 | 0 | 112.5 | A10 T11 F16 V17 N18 | A10-L14 WeakPolarHBondContact O-CB 3.46Å; A10-L14 WeakPolarHBondContact O-CG 3.41Å; A10-L14 PolarHBondContact O-N 2.82Å; T11-L14 PolarHBondContact O-N 2.97Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-F16 PolarHBondContact O-N 3.48Å; L14-V17 PolarHBondContact O-N 3.01Å; L14-N18 PolarHBondContact O-N 2.8Å |
| 15 | A | 42.4 | Very low | 41.7 | Very low | 69 Ų | 69 | 118.1 Ų | 118.1 | 57% | 0.57 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.8 | -30.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T11 L12 L13 | T11-A15 WeakPolarHBondContact O-CB 3.32Å; T11-A15 PolarHBondContact O-N 2.84Å; L12-A15 PolarHBondContact O-N 2.74Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 3.22Å |
| 16 | F | 37.6 | Very low | 41.1 | Very low | 172 Ų | 172 | 114.7 Ų | 114.7 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.6 | -25.8 | 173.1 | -95.1 | -83.1 | 0 | 0 | 0 | 113.8 | L12 L13 L14 | L12-F16 PolarHBondContact O-N 3.18Å; L13-F16 PolarHBondContact O-N 3.2Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-F16 PolarHBondContact O-N 3.48Å |
| 17 | V | 42 | Very low | 40.4 | Very low | 113 Ų | 113 | 110.9 Ų | 110.9 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -86.1 | -40.7 | 179.5 | 173.3 | 0 | 0 | 0 | 0 | 112.2 | L13 L14 G19 | L13-V17 WeakPolarHBondContact O-CG2 3.21Å; L13-V17 PolarHBondContact O-N 2.96Å; L13-V17 VanDerWaalsContact O-N 3.09Å; L14-V17 PolarHBondContact O-N 3.01Å; V17-G19 PolarHBondContact O-N 3.3Å |
| 18 | N | 33.7 | Very low | 40.5 | Very low | 127 Ų | 127 | 111 Ų | 111 | 68% | 0.679 | 62% | 0.615 | S | S | * | * | trans | -87.1 | 30.9 | 174 | -91.5 | 15.3 | 0 | 0 | 0 | 113.1 | L14 T20 | L14-N18 PolarHBondContact O-N 2.8Å; N18-T20 PolarHBondContact O-N 3.04Å | ||
| 19 | G | 31.6 | Very low | 40.9 | Very low | 55 Ų | 55 | 106.4 Ų | 106.4 | 57% | 0.567 | 60% | 0.595 | S | S | * | * | trans | -70.1 | 64 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111 | V17 K21 | V17-G19 PolarHBondContact O-N 3.3Å; G19-K21 PolarHBondContact O-N 3.39Å | ||
| 20 | T | 32.8 | Very low | 41.5 | Very low | 117 Ų | 117 | 101.1 Ų | 101.1 | 72% | 0.718 | 57% | 0.574 | S | S | * | * | trans | -64.2 | 89.1 | 168 | 48.8 | 0 | 0 | 0 | 0 | 108.3 | N18 D22 | N18-T20 PolarHBondContact O-N 3.04Å; T20-D22 VanDerWaalsContact C-N 3.34Å; T20-D22 PolarHBondContact O-N 3.48Å | ||
| 21 | K | 31.6 | Very low | 42.4 | Very low | 159 Ų | 159 | 106.2 Ų | 106.2 | 69% | 0.691 | 58% | 0.583 | S | S | * | * | trans | -54 | 108.8 | 147.9 | -79.2 | 174.7 | 153 | -165.4 | 0 | 106.5 | G19 E23 | G19-K21 PolarHBondContact O-N 3.39Å; K21-E23 HydrophobicContact CB-CG 3.83Å; K21-E23 HydrophobicContact CD-CG 3.83Å; K21-E23 HydrophobicContact CG-CG 4.43Å; K21-E23 IonicContact NZ-OE1 3.52Å; K21-E23 PolarHBondContact NZ-OE1 2.96Å; K21-E23 PolarHBondContact O-N 3.14Å | ||
| 22 | D | 28.3 | Very low | 43.5 | Very low | 149 Ų | 149 | 103.4 Ų | 103.4 | 80% | 0.797 | 57% | 0.565 | S | S | * | * | trans | -60.1 | 81.4 | 140 | -74.4 | -49.3 | 0 | 0 | 0 | 106.6 | T20 V24 | T20-D22 VanDerWaalsContact C-N 3.34Å; T20-D22 PolarHBondContact O-N 3.48Å; D22-V24 PolarHBondContact O-N 3.45Å | ||
| 23 | E | 27.9 | Very low | 45 | Very low | 117 Ų | 117 | 104.1 Ų | 104.1 | 55% | 0.547 | 57% | 0.566 | S | S | . | * | trans | -64.7 | 89.9 | 157.5 | -71.9 | -156.7 | 160.4 | 0 | 0 | 105.7 | K21 H25 | K21-E23 HydrophobicContact CB-CG 3.83Å; K21-E23 HydrophobicContact CD-CG 3.83Å; K21-E23 HydrophobicContact CG-CG 4.43Å; K21-E23 IonicContact NZ-OE1 3.52Å; K21-E23 PolarHBondContact NZ-OE1 2.96Å; K21-E23 PolarHBondContact O-N 3.14Å; E23-H25 VanDerWaalsContact C-N 3.3Å; E23-H25 PolarHBondContact O-N 3.31Å; E23-H25 PolarHBondContact O-ND1 3.43Å | ||
| 24 | V | 30.8 | Very low | 46.7 | Very low | 113 Ų | 113 | 99 Ų | 99 | 69% | 0.685 | 54% | 0.54 | S | S | * | . | trans | -43.1 | 104.8 | 160.5 | 179.2 | 0 | 0 | 0 | 0 | 105.7 | D22 T26 | D22-V24 PolarHBondContact O-N 3.45Å; V24-T26 HydrophobicContact CG1-CG2 4.15Å; V24-T26 PolarHBondContact O-N 3.44Å; V24-T26 PolarHBondContact O-OG1 3.01Å | ||
| 25 | H | 30.1 | Very low | 47.9 | Very low | 171 Ų | 171 | 97.2 Ų | 97.2 | 79% | 0.792 | 54% | 0.537 | S | S | * | . | trans | -73.3 | 65.1 | 175.2 | -87.1 | 3.2 | 0 | 0 | 0 | 108.3 | E23 S27 | E23-H25 VanDerWaalsContact C-N 3.3Å; E23-H25 PolarHBondContact O-N 3.31Å; E23-H25 PolarHBondContact O-ND1 3.43Å; H25-S27 PolarHBondContact O-N 3.24Å | ||
| 26 | T | 35.4 | Very low | 49.4 | Very low | 115 Ų | 115 | 97 Ų | 97 | 71% | 0.706 | 53% | 0.529 | S | S | * | . | trans | -56.2 | 86.6 | 144.1 | 44.5 | 0 | 0 | 0 | 0 | 106.2 | V24 | V24-T26 HydrophobicContact CG1-CG2 4.15Å; V24-T26 PolarHBondContact O-N 3.44Å; V24-T26 PolarHBondContact O-OG1 3.01Å | ||
| 27 | S | 40.7 | Very low | 51.4 | Low | 45 Ų | 45 | 92.5 Ų | 92.5 | 32% | 0.315 | 52% | 0.516 | S | S | . | . | trans | -47.5 | 128.5 | 165.8 | 60.6 | 0 | 0 | 0 | 0 | 106.6 | H25 S29 R52 | H25-S27 PolarHBondContact O-N 3.24Å; S27-S29 PolarHBondContact O-N 3.49Å; S27-S29 VanDerWaalsContact O-N 3.14Å; S27-R52 PolarHBondContact OG-NH1 3.07Å | ||
| 28 | P | 57 | Low | 53.5 | Low | 82 Ų | 82 | 88.9 Ų | 88.9 | 53% | 0.532 | 50% | 0.495 | S | S | . | . | trans | -54.4 | 129.2 | -174.9 | 23.9 | -34.6 | 0 | 0 | 0 | 108.2 | V30 | P28-V30 WeakPolarHBondContact CB-O 3.45Å; P28-V30 CarbonylContact O-C 3.55Å; P28-V30 PolarHBondContact O-N 2.96Å | ||
| 29 | S | 62.4 | Low | 56.1 | Low | 33 Ų | 33 | 83.3 Ų | 83.3 | 23% | 0.231 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -66.8 | -3.4 | -173.9 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | S27 I51 R52 D54 C55 | S27-S29 PolarHBondContact O-N 3.49Å; S27-S29 VanDerWaalsContact O-N 3.14Å; S29-I51 CarbonylContact O-C 3.52Å; S29-I51 WeakPolarHBondContact O-CA 3.17Å; S29-I51 WeakPolarHBondContact O-CG2 3.37Å; S29-R52 PolarHBondContact O-N 3.14Å; S29-D54 VanDerWaalsContact CB-OD1 3.32Å; S29-D54 WeakPolarHBondContact CB-OD1 3.46Å; S29-C55 PolarHBondContact OG-SG 2.84Å; S29-C55 VanDerWaalsContact OG-SG 3.42Å |
| 30 | V | 67.6 | Low | 58.8 | Low | 20 Ų | 20 | 82.4 Ų | 82.4 | 12% | 0.121 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.8 | 164.1 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | P28 I50 I51 V142 | P28-V30 WeakPolarHBondContact CB-O 3.45Å; P28-V30 CarbonylContact O-C 3.55Å; P28-V30 PolarHBondContact O-N 2.96Å; V30-I50 CarbonylContact C-O 3.52Å; V30-I50 WeakPolarHBondContact CA-O 3.17Å; V30-I51 HydrophobicContact CG1-CG1 4.19Å; V30-I51 HydrophobicContact CG2-CB 4.46Å; V30-I51 HydrophobicContact CG2-CG1 4.18Å; V30-I51 HydrophobicContact CG2-CG2 3.84Å; V30-V142 HydrophobicContact CB-CB 4.49Å; V30-V142 WeakPolarHBondContact CB-O 3.44Å; V30-V142 HydrophobicContact CG1-CB 4.04Å; V30-V142 HydrophobicContact CG1-CG2 3.99Å; V30-V142 VanDerWaalsContact CG1-O 3.27Å; V30-V142 WeakPolarHBondContact CG1-O 3.5Å; V30-V142 HydrophobicContact CG2-CB 3.89Å |
| 31 | R | 72.5 | Confident | 61.3 | Low | 155 Ų | 155 | 79.4 Ų | 79.4 | 59% | 0.585 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 117.9 | 169.9 | 178.5 | 175.8 | -77.3 | -179.2 | -5.6 | 109.9 | I50 | R31-I50 PolarHBondContact N-O 3.47Å; R31-I50 PolarHBondContact O-N 3.42Å |
| 32 | V | 76.5 | Confident | 63.8 | Low | 26 Ų | 26 | 73.2 Ų | 73.2 | 16% | 0.158 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 136.2 | 166 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | S48 C49 W70 C131 V145 | V32-S48 CarbonylContact C-O 3.53Å; V32-S48 WeakPolarHBondContact CA-O 3.2Å; V32-C49 HydrophobicContact CG2-CB 4.17Å; V32-W70 HydrophobicContact CG1-CH2 4.11Å; V32-W70 HydrophobicContact CG1-CZ3 4.03Å; V32-C131 HydrophobicContact CG2-CB 3.65Å; V32-V145 HydrophobicContact CG1-CB 4.06Å; V32-V145 HydrophobicContact CG1-CG1 3.71Å |
| 33 | H | 77.4 | Confident | 66.4 | Low | 116 Ų | 116 | 68 Ų | 68 | 54% | 0.537 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 137.5 | -178.9 | -178.2 | 61.4 | 0 | 0 | 0 | 110.9 | A47 S48 | H33-A47 CarbonylContact O-C 3.53Å; H33-A47 WeakPolarHBondContact O-CA 3.24Å; H33-A47 WeakPolarHBondContact O-CB 3.47Å; H33-S48 PolarHBondContact N-O 2.83Å; H33-S48 PolarHBondContact O-N 3.41Å |
| 34 | T | 79.3 | Confident | 69.2 | Low | 9 Ų | 9 | 65.8 Ų | 65.8 | 6% | 0.055 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 144.4 | 174.1 | 45.2 | 0 | 0 | 0 | 0 | 109.9 | T36 T46 A47 V145 I147 | T34-T36 PolarHBondContact O-N 3.34Å; T34-T46 WeakPolarHBondContact CA-O 3.32Å; T34-A47 HydrophobicContact CG2-CB 3.85Å; T34-V145 HydrophobicContact CG2-CB 4.38Å; T34-V145 HydrophobicContact CG2-CG1 3.63Å; T34-V145 HydrophobicContact CG2-CG2 3.86Å; T34-I147 HydrophobicContact CG2-CG1 4.39Å |
| 35 | S | 69.3 | Low | 71.7 | Confident | 79 Ų | 79 | 60.5 Ų | 60.5 | 55% | 0.552 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -52.7 | -40.3 | 173.5 | 55.3 | 0 | 0 | 0 | 0 | 112.7 | T46 | S35-T46 PolarHBondContact N-O 3.08Å; S35-T46 VanDerWaalsContact N-O 3.1Å |
| 36 | T | 73.6 | Confident | 74.2 | Confident | 65 Ų | 65 | 55.2 Ų | 55.2 | 40% | 0.399 | 33% | 0.332 | S | S | . | . | trans | -149.4 | 129.9 | 174.8 | 44.1 | 0 | 0 | 0 | 0 | 109.4 | T34 V38 V39 | T34-T36 PolarHBondContact O-N 3.34Å; T36-V38 VanDerWaalsContact C-N 3.28Å; T36-V38 WeakPolarHBondContact CB-O 3.18Å; T36-V38 PolarHBondContact O-N 3.47Å; T36-V39 WeakPolarHBondContact OG1-CG1 3.32Å | ||
| 37 | P | 78.5 | Confident | 76.5 | Confident | 76 Ų | 76 | 49.9 Ų | 49.9 | 49% | 0.494 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -78.6 | -11.7 | 178.9 | 32.1 | -35.7 | 0 | 0 | 0 | 113.4 | R148 | P37-R148 PolarHBondContact O-N 3.26Š|
| 38 | V | 87.1 | Confident | 78.4 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.8 | 171.3 | -168.7 | 0 | 0 | 0 | 0 | 108.7 | T36 R148 L183 A233 L234 | T36-V38 VanDerWaalsContact C-N 3.28Å; T36-V38 WeakPolarHBondContact CB-O 3.18Å; T36-V38 PolarHBondContact O-N 3.47Å; V38-R148 VanDerWaalsContact CA-O 3.3Å; V38-R148 WeakPolarHBondContact CA-O 3.18Å; V38-R148 HydrophobicContact CG1-CB 4.39Å; V38-R148 HydrophobicContact CG2-CB 4.43Å; V38-L183 HydrophobicContact CG1-CD1 3.9Å; V38-L183 HydrophobicContact CG1-CD2 3.72Å; V38-L183 HydrophobicContact CG1-CG 4.5Å; V38-A233 HydrophobicContact CB-CB 4.14Å; V38-A233 HydrophobicContact CG1-CB 3.98Å; V38-A233 HydrophobicContact CG2-CB 4.19Å; V38-L234 HydrophobicContact CG1-CD2 4.25Å; V38-L234 HydrophobicContact CG1-CG 4.49Å |
| 39 | V | 88.1 | Confident | 79.5 | Confident | 9 Ų | 9 | 45 Ų | 45 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 163.8 | 179.4 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | T36 V45 I147 R148 A149 G150 | T36-V39 WeakPolarHBondContact OG1-CG1 3.32Å; V39-V45 HydrophobicContact CG1-CG2 4.13Å; V39-V45 HydrophobicContact CG2-CG2 3.87Å; V39-I147 HydrophobicContact CG2-CG2 4.26Å; V39-R148 PolarHBondContact N-O 2.78Å; V39-A149 HydrophobicContact CG2-CB 3.89Å; V39-A149 VanDerWaalsContact O-CA 3.28Å; V39-A149 WeakPolarHBondContact O-CA 3.35Å; V39-G150 PolarHBondContact O-N 3.38Å |
| 40 | A | 87.6 | Confident | 80.2 | Confident | 36 Ų | 36 | 46.9 Ų | 46.9 | 30% | 0.298 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 140.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | G42 S43 G150 L234 | A40-G42 PolarHBondContact O-N 2.81Å; A40-S43 WeakPolarHBondContact CB-OG 3.4Å; A40-S43 WeakPolarHBondContact O-CB 3.49Å; A40-S43 PolarHBondContact O-N 3.41Å; A40-S43 PolarHBondContact O-OG 3.46Å; A40-G150 CarbonylContact C-O 3.55Å; A40-G150 WeakPolarHBondContact CA-O 3.44Å; A40-L234 HydrophobicContact CB-CD1 4.07Å |
| 41 | L | 86.4 | Confident | 80.5 | Confident | 54 Ų | 54 | 46 Ų | 46 | 28% | 0.283 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 131.1 | -176 | -158.6 | 151.9 | 0 | 0 | 0 | 110.8 | T125 A149 G150 F151 | L41-T125 HydrophobicContact CD1-CG2 3.95Å; L41-A149 HydrophobicContact CB-CB 4.36Å; L41-A149 HydrophobicContact CG-CB 4.45Å; L41-G150 PolarHBondContact N-O 3.37Å; L41-F151 HydrophobicContact CB-CE1 3.99Å; L41-F151 HydrophobicContact CB-CZ 4.01Å; L41-F151 HydrophobicContact CD1-CE2 4.37Å; L41-F151 HydrophobicContact CD1-CZ 4.23Å; L41-F151 HydrophobicContact CD2-CZ 4.46Å; L41-F151 HydrophobicContact CG-CZ 4.47Å |
| 42 | G | 82.8 | Confident | 80.3 | Confident | 30 Ų | 30 | 44 Ų | 44 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A40 S121 F122 | A40-G42 PolarHBondContact O-N 2.81Å; G42-S121 VanDerWaalsContact C-OG 3.32Å; G42-S121 WeakPolarHBondContact CA-OG 3.49Å; G42-S121 WeakPolarHBondContact O-CA 3.32Å; G42-S121 WeakPolarHBondContact O-CB 3.21Å; G42-S121 PolarHBondContact O-OG 3.03Å; G42-F122 WeakPolarHBondContact CA-O 3.29Å; G42-F122 PolarHBondContact N-O 3.43Å |
| 43 | S | 84.3 | Confident | 79.5 | Confident | 38 Ų | 38 | 47 Ų | 47 | 27% | 0.266 | 28% | 0.276 | S | S | . | . | trans | -75.9 | 159.1 | 177.8 | -58.3 | 0 | 0 | 0 | 0 | 112.9 | A40 F122 | A40-S43 WeakPolarHBondContact CB-OG 3.4Å; A40-S43 WeakPolarHBondContact O-CB 3.49Å; A40-S43 PolarHBondContact O-N 3.41Å; A40-S43 PolarHBondContact O-OG 3.46Å; S43-F122 PolarHBondContact O-N 2.83Å | ||
| 44 | P | 84.9 | Confident | 78.7 | Confident | 72 Ų | 72 | 45 Ų | 45 | 47% | 0.468 | 27% | 0.27 | S | S | . | . | trans | -70.8 | 147.2 | 171.5 | 28.4 | -35.1 | 0 | 0 | 0 | 112.7 | F118 I119 P120 | P44-F118 HydrophobicContact CB-CE2 3.83Å; P44-F118 HydrophobicContact CB-CZ 3.86Å; P44-I119 CarbonylContact C-O 3.56Å; P44-I119 WeakPolarHBondContact CA-O 3.48Å; P44-I119 WeakPolarHBondContact CB-O 3.19Å; P44-P120 WeakPolarHBondContact CA-O 3.47Å; P44-P120 WeakPolarHBondContact CB-O 3.43Å | ||
| 45 | V | 84.2 | Confident | 78 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 133.5 | 174.6 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | V39 I119 F122 I147 | V39-V45 HydrophobicContact CG1-CG2 4.13Å; V39-V45 HydrophobicContact CG2-CG2 3.87Å; V45-I119 HydrophobicContact CB-CB 4.34Å; V45-I119 PolarHBondContact N-O 2.92Å; V45-I119 PolarHBondContact O-N 3.34Å; V45-F122 HydrophobicContact CG2-CB 3.77Å; V45-F122 HydrophobicContact CG2-CD2 4.22Å; V45-F122 HydrophobicContact CG2-CG 4.06Å; V45-I147 HydrophobicContact CG1-CD1 3.91Å; V45-I147 HydrophobicContact CG1-CG1 4.39Å; V45-I147 HydrophobicContact CG2-CG2 4.28Å |
| 46 | T | 83.1 | Confident | 77.5 | Confident | 61 Ų | 61 | 45.5 Ų | 45.5 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 133.8 | 173.3 | -50 | 0 | 0 | 0 | 0 | 110 | T34 S35 V117 | T34-T46 WeakPolarHBondContact CA-O 3.32Å; S35-T46 PolarHBondContact N-O 3.08Å; S35-T46 VanDerWaalsContact N-O 3.1Å; T46-V117 WeakPolarHBondContact CA-O 3.19Å |
| 47 | A | 82.8 | Confident | 76.8 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H33 T34 W70 T116 V117 L129 | H33-A47 CarbonylContact O-C 3.53Å; H33-A47 WeakPolarHBondContact O-CA 3.24Å; H33-A47 WeakPolarHBondContact O-CB 3.47Å; T34-A47 HydrophobicContact CG2-CB 3.85Å; A47-W70 HydrophobicContact CB-CH2 3.92Å; A47-W70 HydrophobicContact CB-CZ3 4.18Å; A47-T116 CarbonylContact O-C 3.44Å; A47-T116 WeakPolarHBondContact O-CA 3.47Å; A47-V117 HydrophobicContact CB-CG1 4.03Å; A47-V117 PolarHBondContact N-O 3.12Å; A47-V117 PolarHBondContact O-N 3.03Å; A47-L129 HydrophobicContact CB-CD2 3.48Å; A47-L129 VanDerWaalsContact CB-CD2 3.48Å |
| 48 | S | 80.6 | Confident | 75.8 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 149 | 171.1 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | V32 H33 S115 | V32-S48 CarbonylContact C-O 3.53Å; V32-S48 WeakPolarHBondContact CA-O 3.2Å; H33-S48 PolarHBondContact N-O 2.83Å; H33-S48 PolarHBondContact O-N 3.41Å; S48-S115 CarbonylContact C-O 3.47Å; S48-S115 VanDerWaalsContact CA-O 3.29Å; S48-S115 WeakPolarHBondContact CA-O 3.32Å |
| 49 | C | 80.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 112.6 | 173.4 | -179 | 0 | 0 | 0 | 0 | 107.7 | V32 W70 N114 S115 C131 | V32-C49 HydrophobicContact CG2-CB 4.17Å; C49-W70 HydrophobicContact CB-CH2 3.59Å; C49-W70 HydrophobicContact CB-CZ2 3.41Å; C49-W70 VanDerWaalsContact CB-CZ2 3.41Å; C49-W70 HydrophobicContact CB-CZ3 4.49Å; C49-N114 WeakPolarHBondContact O-CA 3.4Å; C49-S115 PolarHBondContact N-O 2.82Å; C49-S115 PolarHBondContact O-N 2.93Å; C49-C131 HydrophobicContact CB-CB 3.61Å; C49-C131 WeakPolarHBondContact CB-SG 3.36Å; C49-C131 WeakPolarHBondContact SG-CB 3.35Å; C49-C131 CovalentContact SG-SG 2.03Å; C49-C131 PolarHBondContact SG-SG 3.18Å |
| 50 | I | 77.1 | Confident | 72.1 | Confident | 73 Ų | 73 | 52.3 Ų | 52.3 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118.9 | -175.8 | -56.4 | 173.8 | 0 | 0 | 0 | 107.8 | V30 R31 W113 | V30-I50 CarbonylContact C-O 3.52Å; V30-I50 WeakPolarHBondContact CA-O 3.17Å; R31-I50 PolarHBondContact N-O 3.47Å; R31-I50 PolarHBondContact O-N 3.42Å; I50-W113 CarbonylContact C-O 3.49Å; I50-W113 WeakPolarHBondContact CA-O 3.39Å |
| 51 | I | 73.1 | Confident | 70.1 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.8 | 176.3 | -44 | 178.4 | 0 | 0 | 0 | 108.1 | S29 V30 C55 I58 I68 G112 W113 V133 V142 | S29-I51 CarbonylContact O-C 3.52Å; S29-I51 WeakPolarHBondContact O-CA 3.17Å; S29-I51 WeakPolarHBondContact O-CG2 3.37Å; V30-I51 HydrophobicContact CG1-CG1 4.19Å; V30-I51 HydrophobicContact CG2-CB 4.46Å; V30-I51 HydrophobicContact CG2-CG1 4.18Å; V30-I51 HydrophobicContact CG2-CG2 3.84Å; I51-C55 HydrophobicContact CG2-CB 3.76Å; I51-I58 HydrophobicContact CB-CD1 4.21Å; I51-I58 HydrophobicContact CG2-CD1 3.59Å; I51-I68 HydrophobicContact CD1-CD1 3.91Å; I51-I68 HydrophobicContact CD1-CG1 4.28Å; I51-I68 HydrophobicContact CG1-CD1 4.42Å; I51-G112 CarbonylContact O-C 3.55Å; I51-G112 WeakPolarHBondContact O-CA 3.37Å; I51-W113 HydrophobicContact CB-CB 4.25Å; I51-W113 PolarHBondContact N-O 2.93Å; I51-W113 PolarHBondContact O-N 2.82Å; I51-V133 HydrophobicContact CD1-CG2 3.55Å; I51-V142 HydrophobicContact CD1-CG2 4.17Å |
| 52 | R | 68.6 | Low | 68.1 | Low | 113 Ų | 113 | 53.6 Ų | 53.6 | 43% | 0.426 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 148.3 | 179.3 | -69.3 | 171.1 | 54 | 120.7 | 12.2 | 110.8 | S27 S29 D54 C55 | S27-R52 PolarHBondContact OG-NH1 3.07Å; S29-R52 PolarHBondContact O-N 3.14Å; R52-D54 WeakPolarHBondContact CB-OD1 3.46Å; R52-D54 IonicContact CZ-OD2 2.74Å; R52-D54 IonicContact NE-OD1 2.77Å; R52-D54 PolarHBondContact NE-OD1 2.78Å; R52-D54 IonicContact NE-OD2 2.7Å; R52-D54 PolarHBondContact NE-OD2 3.36Å; R52-D54 IonicContact NH2-OD2 3.12Å; R52-D54 PolarHBondContact NH2-OD2 3.09Å; R52-D54 PolarHBondContact O-N 2.79Å; R52-D54 VanDerWaalsContact O-N 3.1Å; R52-C55 WeakPolarHBondContact O-CB 3.42Å; R52-C55 PolarHBondContact O-N 3.01Å |
| 53 | D | 61.2 | Low | 66.2 | Low | 89 Ų | 89 | 62.7 Ų | 62.7 | 48% | 0.476 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -13.1 | 179.3 | -67.8 | -9.6 | 0 | 0 | 0 | 113.9 | C55 S111 G112 | D53-C55 VanDerWaalsContact C-N 3.27Å; D53-S111 WeakPolarHBondContact OD2-CA 3.27Å; D53-G112 WeakPolarHBondContact OD1-CA 3.4Å; D53-G112 PolarHBondContact OD1-N 2.8Å |
| 54 | D | 60.3 | Low | 64.3 | Low | 74 Ų | 74 | 68.7 Ų | 68.7 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -9.5 | 171.4 | 52.5 | 37.3 | 0 | 0 | 0 | 113.9 | S29 R52 | S29-D54 VanDerWaalsContact CB-OD1 3.32Å; S29-D54 WeakPolarHBondContact CB-OD1 3.46Å; R52-D54 WeakPolarHBondContact CB-OD1 3.46Å; R52-D54 IonicContact CZ-OD2 2.74Å; R52-D54 IonicContact NE-OD1 2.77Å; R52-D54 PolarHBondContact NE-OD1 2.78Å; R52-D54 IonicContact NE-OD2 2.7Å; R52-D54 PolarHBondContact NE-OD2 3.36Å; R52-D54 IonicContact NH2-OD2 3.12Å; R52-D54 PolarHBondContact NH2-OD2 3.09Å; R52-D54 PolarHBondContact O-N 2.79Å; R52-D54 VanDerWaalsContact O-N 3.1Å |
| 55 | C | 63.2 | Low | 62.3 | Low | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.02 | 38% | 0.377 | C | S | . | . | trans | -64 | 125 | -178.9 | -164.1 | 0 | 0 | 0 | 0 | 112.1 | S29 I51 R52 D53 L57 I58 | S29-C55 PolarHBondContact OG-SG 2.84Å; S29-C55 VanDerWaalsContact OG-SG 3.42Å; I51-C55 HydrophobicContact CG2-CB 3.76Å; R52-C55 WeakPolarHBondContact O-CB 3.42Å; R52-C55 PolarHBondContact O-N 3.01Å; D53-C55 VanDerWaalsContact C-N 3.27Å; C55-L57 PolarHBondContact O-N 3.39Å; C55-L57 VanDerWaalsContact O-N 3.14Å; C55-I58 PolarHBondContact O-N 2.96Å | ||
| 56 | P | 60.2 | Low | 60.8 | Low | 95 Ų | 95 | 72.1 Ų | 72.1 | 62% | 0.617 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -18.7 | -179.9 | 26.5 | -34.7 | 0 | 0 | 0 | 113.5 | I58 K59 | P56-I58 PolarHBondContact O-N 2.83Å; P56-K59 PolarHBondContact O-N 3.13Å |
| 57 | L | 58.5 | Low | 59.9 | Low | 60 Ų | 60 | 75.2 Ų | 75.2 | 31% | 0.314 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -10.5 | 179.1 | -57.2 | 179.1 | 0 | 0 | 0 | 114.3 | C55 V142 | C55-L57 PolarHBondContact O-N 3.39Å; C55-L57 VanDerWaalsContact O-N 3.14Å; L57-V142 HydrophobicContact CD1-CG1 3.73Å |
| 58 | I | 56.9 | Low | 59.4 | Low | 31 Ų | 31 | 76.4 Ų | 76.4 | 16% | 0.159 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -14 | -178.6 | -62.1 | 174 | 0 | 0 | 0 | 111.4 | I51 C55 P56 G60 A61 W113 | I51-I58 HydrophobicContact CB-CD1 4.21Å; I51-I58 HydrophobicContact CG2-CD1 3.59Å; C55-I58 PolarHBondContact O-N 2.96Å; P56-I58 PolarHBondContact O-N 2.83Å; I58-G60 PolarHBondContact O-N 2.84Å; I58-A61 PolarHBondContact O-N 2.85Å; I58-W113 HydrophobicContact CD1-CG 4.19Å |
| 59 | K | 47.7 | Very low | 59.2 | Low | 160 Ų | 160 | 76.1 Ų | 76.1 | 70% | 0.696 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 100.1 | -177 | -74.6 | -176.3 | 175.8 | 173.7 | 0 | 111.9 | P56 | P56-K59 PolarHBondContact O-N 3.13Š|
| 60 | G | 50.7 | Low | 59.2 | Low | 80 Ų | 80 | 76.8 Ų | 76.8 | 83% | 0.825 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.8 | -0.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I58 | I58-G60 PolarHBondContact O-N 2.84Š|
| 61 | A | 46.3 | Very low | 59.3 | Low | 22 Ų | 22 | 75.2 Ų | 75.2 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | trans | -68.9 | 143.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I58 N66 | I58-A61 PolarHBondContact O-N 2.85Å; A61-N66 WeakPolarHBondContact CB-ND2 3.37Å | ||
| 62 | V | 42.7 | Very low | 59.7 | Low | 94 Ų | 94 | 75.8 Ų | 75.8 | 57% | 0.57 | 39% | 0.39 | S | S | * | . | trans | -84.6 | 126.8 | 171.2 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | H64 L65 | V62-H64 PolarHBondContact O-N 3.38Å; V62-L65 PolarHBondContact O-N 2.83Å | ||
| 63 | W | 44.5 | Very low | 60.3 | Low | 222 Ų | 222 | 73.7 Ų | 73.7 | 84% | 0.841 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -2.7 | -171.1 | -61.2 | 89 | 0 | 0 | 0 | 117.6 | ||
| 64 | H | 44.1 | Very low | 60.9 | Low | 164 Ų | 164 | 78 Ų | 78 | 76% | 0.759 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | 4.5 | -171.7 | -64 | -51.5 | 0 | 0 | 0 | 115.2 | V62 | V62-H64 PolarHBondContact O-N 3.38Š|
| 65 | L | 41.7 | Very low | 61.7 | Low | 131 Ų | 131 | 83.9 Ų | 83.9 | 69% | 0.686 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.9 | -15.6 | -173.2 | -81.3 | 163.5 | 0 | 0 | 0 | 116 | V62 | V62-L65 PolarHBondContact O-N 2.83Š|
| 66 | N | 53 | Low | 62.2 | Low | 14 Ų | 14 | 88.6 Ų | 88.6 | 8% | 0.075 | 45% | 0.445 | C | S | . | . | trans | -94.7 | 130.4 | -178.1 | -70.5 | 9.5 | 0 | 0 | 0 | 111.3 | A61 W113 L134 H135 | A61-N66 WeakPolarHBondContact CB-ND2 3.37Å; N66-W113 HydrophobicContact CB-CH2 3.84Å; N66-W113 HydrophobicContact CB-CZ3 4.35Å; N66-W113 WeakPolarHBondContact O-CZ3 3.42Å; N66-L134 WeakPolarHBondContact CA-O 3.3Å; N66-H135 PolarHBondContact ND2-CD2 2.87Å; N66-H135 PolarHBondContact ND2-NE2 2.95Å; N66-H135 VanDerWaalsContact ND2-NE2 3.18Å; N66-H135 PolarHBondContact OD1-ND1 2.96Å | ||
| 67 | H | 65.6 | Low | 62.8 | Low | 126 Ų | 126 | 84.6 Ų | 84.6 | 58% | 0.583 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.3 | 173.2 | -66 | -74.3 | 0 | 0 | 0 | 111.1 | V69 L134 | H67-V69 HydrophobicContact CB-CG2 4.42Å; H67-L134 PolarHBondContact O-N 3.45Å |
| 68 | I | 72 | Confident | 62.9 | Low | 28 Ų | 28 | 85.2 Ų | 85.2 | 14% | 0.144 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 129.4 | 165.4 | -65.1 | 171.5 | 0 | 0 | 0 | 107.8 | I51 W113 C131 C132 V133 | I51-I68 HydrophobicContact CD1-CD1 3.91Å; I51-I68 HydrophobicContact CD1-CG1 4.28Å; I51-I68 HydrophobicContact CG1-CD1 4.42Å; I68-W113 HydrophobicContact CD1-CB 4.1Å; I68-W113 HydrophobicContact CD1-CE3 4.15Å; I68-W113 HydrophobicContact CG1-CE3 4.23Å; I68-C131 VanDerWaalsContact CG2-SG 3.52Å; I68-C132 WeakPolarHBondContact CA-O 3.4Å; I68-V133 HydrophobicContact CG1-CG2 4.31Å |
| 69 | V | 75.3 | Confident | 62.8 | Low | 18 Ų | 18 | 88 Ų | 88 | 11% | 0.109 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 143.4 | 177.5 | -165.1 | 0 | 0 | 0 | 0 | 109.8 | H67 L76 C132 L134 | H67-V69 HydrophobicContact CB-CG2 4.42Å; V69-L76 HydrophobicContact CG1-CD1 3.53Å; V69-L76 HydrophobicContact CG1-CG 4.11Å; V69-C132 PolarHBondContact N-O 2.87Å; V69-C132 PolarHBondContact O-N 2.82Å; V69-L134 HydrophobicContact CG2-CB 4.35Å; V69-L134 HydrophobicContact CG2-CD1 3.92Å |
| 70 | W | 80.1 | Confident | 62.7 | Low | 13 Ų | 13 | 84.1 Ų | 84.1 | 5% | 0.049 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.4 | -176.6 | -67.8 | 88.2 | 0 | 0 | 0 | 110.9 | V32 A47 C49 I77 S115 V117 L129 T130 C131 | V32-W70 HydrophobicContact CG1-CH2 4.11Å; V32-W70 HydrophobicContact CG1-CZ3 4.03Å; A47-W70 HydrophobicContact CB-CH2 3.92Å; A47-W70 HydrophobicContact CB-CZ3 4.18Å; C49-W70 HydrophobicContact CB-CH2 3.59Å; C49-W70 HydrophobicContact CB-CZ2 3.41Å; C49-W70 VanDerWaalsContact CB-CZ2 3.41Å; C49-W70 HydrophobicContact CB-CZ3 4.49Å; W70-I77 HydrophobicContact CB-CB 4.36Å; W70-I77 HydrophobicContact CB-CD1 4.11Å; W70-I77 HydrophobicContact CB-CG1 4.5Å; W70-I77 PolarHBondContact O-N 3.26Å; W70-S115 PolarHBondContact NE1-OG 2.87Å; W70-V117 HydrophobicContact CB-CG2 4.41Å; W70-V117 HydrophobicContact CD2-CB 3.92Å; W70-V117 HydrophobicContact CD2-CG1 3.49Å; W70-V117 VanDerWaalsContact CD2-CG1 3.49Å; W70-V117 HydrophobicContact CE3-CG1 3.73Å; W70-V117 HydrophobicContact CG-CB 3.87Å; W70-V117 HydrophobicContact CG-CG1 3.93Å; W70-V117 HydrophobicContact CG-CG2 4.27Å; W70-V117 HydrophobicContact CH2-CG1 4.02Å; W70-V117 HydrophobicContact CZ2-CB 4.4Å; W70-V117 HydrophobicContact CZ2-CG1 3.84Å; W70-V117 HydrophobicContact CZ3-CG1 3.99Å; W70-L129 HydrophobicContact CE3-CD1 3.85Å; W70-L129 HydrophobicContact CE3-CD2 4.13Å; W70-L129 HydrophobicContact CE3-CG 3.71Å; W70-L129 HydrophobicContact CZ3-CD1 4.43Å; W70-L129 HydrophobicContact CZ3-CD2 3.93Å; W70-L129 HydrophobicContact CZ3-CG 3.79Å; W70-T130 WeakPolarHBondContact CA-O 3.43Å; W70-C131 HydrophobicContact CE3-CB 4.13Å; W70-C131 HydrophobicContact CH2-CB 4.3Å; W70-C131 HydrophobicContact CZ3-CB 4.01Å |
| 71 | H | 79.7 | Confident | 62 | Low | 41 Ų | 41 | 85.9 Ų | 85.9 | 19% | 0.19 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 132.6 | 167.2 | -62.1 | -121.3 | 0 | 0 | 0 | 110.1 | Q74 R75 L76 T130 | H71-Q74 PolarHBondContact ND1-O 2.91Å; H71-R75 CarbonylContact C-O 3.59Å; H71-R75 WeakPolarHBondContact CA-O 2.98Å; H71-L76 WeakPolarHBondContact CE1-CD1 3.29Å; H71-L76 WeakPolarHBondContact NE2-CD1 3.01Å; H71-T130 WeakPolarHBondContact CB-OG1 3.04Å; H71-T130 PolarHBondContact N-O 2.78Å; H71-T130 PolarHBondContact O-N 3.2Å; H71-T130 PolarHBondContact O-OG1 2.75Å |
| 72 | L | 82.1 | Confident | 61.3 | Low | 13 Ų | 13 | 88 Ų | 88 | 7% | 0.068 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 117.1 | 164.4 | 176.5 | 59 | 0 | 0 | 0 | 108.8 | Q74 R75 I77 W99 I119 F122 L129 | L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 2.88Å; L72-R75 PolarHBondContact N-O 2.97Å; L72-R75 PolarHBondContact O-N 3.02Å; L72-I77 HydrophobicContact CB-CD1 4.28Å; L72-W99 HydrophobicContact CD2-CH2 3.84Å; L72-W99 HydrophobicContact CD2-CZ3 4.33Å; L72-I119 HydrophobicContact CD2-CD1 4.49Å; L72-F122 HydrophobicContact CD1-CE2 3.77Å; L72-F122 HydrophobicContact CD1-CZ 4.37Å; L72-F122 HydrophobicContact CD2-CD2 4.34Å; L72-F122 HydrophobicContact CD2-CE2 3.93Å; L72-L129 HydrophobicContact CB-CD1 4.49Å |
| 73 | N | 81.1 | Confident | 60.5 | Low | 69 Ų | 69 | 88.2 Ų | 88.2 | 37% | 0.369 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | -87.5 | -169.8 | -62.7 | -44.3 | 0 | 0 | 0 | 111.6 | D124 G127 Y128 | N73-D124 PolarHBondContact ND2-OD2 2.84Å; N73-G127 VanDerWaalsContact OD1-CA 3.29Å; N73-G127 WeakPolarHBondContact OD1-CA 3.46Å; N73-Y128 PolarHBondContact N-O 3.48Å; N73-Y128 PolarHBondContact OD1-N 3.02Å |
| 74 | Q | 72.6 | Confident | 59.7 | Low | 181 Ų | 181 | 82 Ų | 82 | 85% | 0.846 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.2 | -10.3 | 173.5 | -65.5 | 178.8 | -7 | 0 | 0 | 112.8 | H71 L72 | H71-Q74 PolarHBondContact ND1-O 2.91Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 2.88Å |
| 75 | R | 77.1 | Confident | 58.9 | Low | 196 Ų | 196 | 82.3 Ų | 82.3 | 74% | 0.74 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 126.5 | -175.3 | -65.9 | 179.7 | 178.4 | 165 | -0.3 | 110.6 | H71 L72 | H71-R75 CarbonylContact C-O 3.59Å; H71-R75 WeakPolarHBondContact CA-O 2.98Å; L72-R75 PolarHBondContact N-O 2.97Å; L72-R75 PolarHBondContact O-N 3.02Å |
| 76 | L | 74.8 | Confident | 58.5 | Low | 102 Ų | 102 | 84.7 Ų | 84.7 | 53% | 0.534 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 132.4 | 171.5 | -161 | 78.6 | 0 | 0 | 0 | 110 | V69 H71 | V69-L76 HydrophobicContact CG1-CD1 3.53Å; V69-L76 HydrophobicContact CG1-CG 4.11Å; H71-L76 WeakPolarHBondContact CE1-CD1 3.29Å; H71-L76 WeakPolarHBondContact NE2-CD1 3.01Å |
| 77 | I | 72.1 | Confident | 57.4 | Low | 11 Ų | 11 | 89.8 Ų | 89.8 | 6% | 0.056 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -90 | 116.3 | 169.4 | -57.5 | 178.4 | 0 | 0 | 0 | 107.3 | W70 L72 W99 V117 I119 L129 | W70-I77 HydrophobicContact CB-CB 4.36Å; W70-I77 HydrophobicContact CB-CD1 4.11Å; W70-I77 HydrophobicContact CB-CG1 4.5Å; W70-I77 PolarHBondContact O-N 3.26Å; L72-I77 HydrophobicContact CB-CD1 4.28Å; I77-W99 HydrophobicContact CD1-CE3 4.47Å; I77-W99 HydrophobicContact CD1-CZ3 4.44Å; I77-W99 HydrophobicContact CG1-CE3 4.43Å; I77-W99 HydrophobicContact CG2-CB 4.4Å; I77-W99 HydrophobicContact CG2-CE3 4.25Å; I77-V117 HydrophobicContact CD1-CG2 3.91Å; I77-V117 HydrophobicContact CG2-CG2 4.17Å; I77-I119 HydrophobicContact CD1-CD1 4.33Å; I77-I119 HydrophobicContact CD1-CG1 4.49Å; I77-L129 HydrophobicContact CD1-CD1 3.91Å |
| 78 | P | 60.1 | Low | 55.7 | Low | 73 Ų | 73 | 87.2 Ų | 87.2 | 47% | 0.474 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 145 | -175.7 | -22.1 | 33.7 | 0 | 0 | 0 | 112.7 | S101 | P78-S101 WeakPolarHBondContact O-CB 3.44Å; P78-S101 PolarHBondContact O-OG 2.86Å |
| 79 | S | 55.1 | Low | 53.6 | Low | 89 Ų | 89 | 97.3 Ų | 97.3 | 62% | 0.622 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 126.3 | 172.8 | 43.5 | 0 | 0 | 0 | 0 | 111.7 | S101 | S79-S101 WeakPolarHBondContact CA-OG 3.42Š|
| 80 | S | 45.3 | Very low | 51.2 | Low | 79 Ų | 79 | 103.3 Ų | 103.3 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 125.7 | 178.5 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | A82 S101 | S80-A82 PolarHBondContact O-N 2.81Å; S80-S101 PolarHBondContact N-OG 2.86Å |
| 81 | P | 36.2 | Very low | 49.1 | Very low | 117 Ų | 117 | 108.1 Ų | 108.1 | 76% | 0.76 | 63% | 0.632 | S | S | * | * | trans | -84.3 | 95.3 | 176.5 | 32.7 | -32.6 | 0 | 0 | 0 | 111.5 | A83 | P81-A83 PolarHBondContact O-N 2.03Š| ||
| 82 | A | 32.2 | Very low | 46.5 | Very low | 68 Ų | 68 | 111 Ų | 111 | 56% | 0.562 | 66% | 0.663 | S | S | * | * | trans | -77.5 | 105.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S80 Y105 | S80-A82 PolarHBondContact O-N 2.81Å; A82-Y105 PolarHBondContact O-OH 2.9Å | ||
| 83 | A | 26 | Very low | 43.8 | Very low | 98 Ų | 98 | 115 Ų | 115 | 81% | 0.81 | 70% | 0.697 | S | S | * | * | trans | -62.8 | 145.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | P81 | P81-A83 PolarHBondContact O-N 2.03Š| ||
| 84 | A | 28.6 | Very low | 41.2 | Very low | 92 Ų | 92 | 116.6 Ų | 116.6 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | trans | -75.1 | 127.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 85 | N | 25.9 | Very low | 39.1 | Very low | 169 Ų | 169 | 114 Ų | 114 | 90% | 0.904 | 71% | 0.712 | S | S | * | * | trans | -163.4 | 160.5 | 147.7 | -108.4 | -20.5 | 0 | 0 | 0 | 110.9 | ||||
| 86 | E | 33.3 | Very low | 37.1 | Very low | 181 Ų | 181 | 114.7 Ų | 114.7 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | trans | -80.2 | 161 | -176.9 | -60.8 | -177.5 | 118.4 | 0 | 0 | 113.2 | ||||
| 87 | S | 29.7 | Very low | 35.5 | Very low | 122 Ų | 122 | 113.9 Ų | 113.9 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 73.9 | 122.3 | 167 | 77.9 | 0 | 0 | 0 | 0 | 119.5 | ||
| 88 | G | 30.5 | Very low | 33.7 | Very low | 71 Ų | 71 | 115.4 Ų | 115.4 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | trans | 48.8 | 102.3 | 137.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 89 | R | 28.1 | Very low | 32.7 | Very low | 241 Ų | 241 | 116.4 Ų | 116.4 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | trans | 54.4 | 114.3 | 152.6 | -67.7 | 177.2 | 166.6 | 175.9 | -4.3 | 117.6 | ||||
| 90 | T | 24.8 | Very low | 31.7 | Very low | 143 Ų | 143 | 117.4 Ų | 117.4 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | -171.2 | 174.3 | 101.3 | 20.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 91 | S | 35.2 | Very low | 31.2 | Very low | 115 Ų | 115 | 114.3 Ų | 114.3 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | -58.9 | 146.8 | 179.5 | 48.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 92 | A | 25.9 | Very low | 31.2 | Very low | 102 Ų | 102 | 112.6 Ų | 112.6 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | trans | -115.4 | 148.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 93 | A | 25.9 | Very low | 31.5 | Very low | 95 Ų | 95 | 112.6 Ų | 112.6 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 152 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 94 | A | 25.9 | Very low | 31.9 | Very low | 103 Ų | 103 | 113.9 Ų | 113.9 | 85% | 0.851 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 120.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 95 | N | 29.3 | Very low | 32.1 | Very low | 128 Ų | 128 | 117.2 Ų | 117.2 | 68% | 0.684 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 148.9 | 165.6 | -70.8 | -4.8 | 0 | 0 | 0 | 109.8 | S97 G98 | N95-S97 PolarHBondContact O-N 3.28Å; N95-G98 PolarHBondContact O-N 3.3Å; N95-G98 VanDerWaalsContact O-N 3.11Å |
| 96 | E | 35.3 | Very low | 32.5 | Very low | 210 Ų | 210 | 113.4 Ų | 113.4 | 98% | 0.981 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -5.2 | -166.2 | -60.3 | -177.9 | 127.4 | 0 | 0 | 116 | ||
| 97 | S | 41.1 | Very low | 32.6 | Very low | 85 Ų | 85 | 110.9 Ų | 110.9 | 59% | 0.594 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -19 | 172.7 | 57.4 | 0 | 0 | 0 | 0 | 114.2 | N95 W99 | N95-S97 PolarHBondContact O-N 3.28Å; S97-W99 PolarHBondContact O-N 2.87Å; S97-W99 PolarHBondContact O-NE1 3.04Å |
| 98 | G | 33.7 | Very low | 33.1 | Very low | 43 Ų | 43 | 109.8 Ų | 109.8 | 44% | 0.443 | 66% | 0.663 | S | S | . | * | trans | 69.3 | -16.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | N95 I100 P120 | N95-G98 PolarHBondContact O-N 3.3Å; N95-G98 VanDerWaalsContact O-N 3.11Å; G98-I100 PolarHBondContact O-N 2.91Å; G98-I100 VanDerWaalsContact O-N 3.1Å; G98-P120 WeakPolarHBondContact O-CG 3.33Å | ||
| 99 | W | 38.2 | Very low | 33.4 | Very low | 93 Ų | 93 | 112.5 Ų | 112.5 | 35% | 0.352 | 66% | 0.661 | S | S | . | * | trans | -74.8 | 97.5 | -179.1 | -52.8 | 93.7 | 0 | 0 | 0 | 112.6 | L72 I77 S97 S101 I119 | L72-W99 HydrophobicContact CD2-CH2 3.84Å; L72-W99 HydrophobicContact CD2-CZ3 4.33Å; I77-W99 HydrophobicContact CD1-CE3 4.47Å; I77-W99 HydrophobicContact CD1-CZ3 4.44Å; I77-W99 HydrophobicContact CG1-CE3 4.43Å; I77-W99 HydrophobicContact CG2-CB 4.4Å; I77-W99 HydrophobicContact CG2-CE3 4.25Å; S97-W99 PolarHBondContact O-N 2.87Å; S97-W99 PolarHBondContact O-NE1 3.04Å; W99-S101 PolarHBondContact O-N 2.94Å; W99-I119 HydrophobicContact CE3-CG1 4.32Å; W99-I119 HydrophobicContact CE3-CG2 4.31Å; W99-I119 HydrophobicContact CH2-CG2 4.17Å; W99-I119 HydrophobicContact CZ3-CB 4.16Å; W99-I119 HydrophobicContact CZ3-CD1 4.09Å; W99-I119 HydrophobicContact CZ3-CG1 3.83Å; W99-I119 HydrophobicContact CZ3-CG2 3.54Å | ||
| 100 | I | 35.6 | Very low | 34.1 | Very low | 111 Ų | 111 | 109.2 Ų | 109.2 | 57% | 0.569 | 66% | 0.656 | S | S | * | * | trans | -88.1 | 91.8 | 170.5 | -55.4 | 178.9 | 0 | 0 | 0 | 109.4 | G98 T102 | G98-I100 PolarHBondContact O-N 2.91Å; G98-I100 VanDerWaalsContact O-N 3.1Å; I100-T102 PolarHBondContact O-N 2.89Å; I100-T102 VanDerWaalsContact O-N 3.12Å | ||
| 101 | S | 35 | Very low | 35.4 | Very low | 13 Ų | 13 | 107 Ų | 107 | 9% | 0.091 | 65% | 0.646 | C | S | . | * | trans | -74.7 | 94.5 | 166.3 | 71.4 | 0 | 0 | 0 | 0 | 109.9 | P78 S79 S80 W99 V103 | P78-S101 WeakPolarHBondContact O-CB 3.44Å; P78-S101 PolarHBondContact O-OG 2.86Å; S79-S101 WeakPolarHBondContact CA-OG 3.42Å; S80-S101 PolarHBondContact N-OG 2.86Å; W99-S101 PolarHBondContact O-N 2.94Å; S101-V103 PolarHBondContact O-N 2.88Å | ||
| 102 | T | 35.9 | Very low | 36.5 | Very low | 82 Ų | 82 | 103.1 Ų | 103.1 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | trans | -76.8 | 79.5 | 161.9 | -49.3 | 0 | 0 | 0 | 0 | 108.1 | I100 L104 | I100-T102 PolarHBondContact O-N 2.89Å; I100-T102 VanDerWaalsContact O-N 3.12Å; T102-L104 HydrophobicContact CG2-CG 4.26Å; T102-L104 PolarHBondContact O-N 3.44Å | ||
| 103 | V | 36.9 | Very low | 38.3 | Very low | 68 Ų | 68 | 101.2 Ų | 101.2 | 41% | 0.412 | 60% | 0.596 | S | S | . | * | trans | -71.1 | 85 | 169.2 | -176.3 | 0 | 0 | 0 | 0 | 107 | S101 Y105 | S101-V103 PolarHBondContact O-N 2.88Å; V103-Y105 PolarHBondContact O-N 2.86Å | ||
| 104 | L | 34.4 | Very low | 40.5 | Very low | 124 Ų | 124 | 100.8 Ų | 100.8 | 65% | 0.649 | 58% | 0.58 | S | S | * | * | trans | -57 | 122.6 | 164.2 | -77 | 167.8 | 0 | 0 | 0 | 107.3 | T102 | T102-L104 HydrophobicContact CG2-CG 4.26Å; T102-L104 PolarHBondContact O-N 3.44Å | ||
| 105 | Y | 33.7 | Very low | 42.7 | Very low | 163 Ų | 163 | 96.4 Ų | 96.4 | 64% | 0.639 | 54% | 0.543 | S | S | * | . | trans | -50.6 | 146.9 | -179.9 | -72.2 | -89.7 | 0 | 0 | 0 | 111.1 | A82 V103 V107 | A82-Y105 PolarHBondContact O-OH 2.9Å; V103-Y105 PolarHBondContact O-N 2.86Å; Y105-V107 PolarHBondContact O-N 3.03Å | ||
| 106 | S | 34.7 | Very low | 44.9 | Very low | 88 Ų | 88 | 92.6 Ų | 92.6 | 62% | 0.615 | 53% | 0.525 | S | S | * | . | trans | -56.4 | 100.7 | 174.6 | 52.4 | 0 | 0 | 0 | 0 | 110.3 | A108 | S106-A108 PolarHBondContact O-N 2.86Š| ||
| 107 | V | 35.5 | Very low | 46.9 | Very low | 129 Ų | 129 | 82.9 Ų | 82.9 | 78% | 0.782 | 48% | 0.48 | S | S | * | . | trans | -70.5 | 87.2 | 171 | -178.8 | 0 | 0 | 0 | 0 | 107.1 | Y105 N109 | Y105-V107 PolarHBondContact O-N 3.03Å; V107-N109 HydrophobicContact CG1-CB 4.36Å; V107-N109 PolarHBondContact O-N 2.97Å | ||
| 108 | A | 39.4 | Very low | 48.8 | Very low | 98 Ų | 98 | 82.6 Ų | 82.6 | 81% | 0.81 | 47% | 0.468 | S | S | * | . | trans | -71.2 | 77.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110 | S106 | S106-A108 PolarHBondContact O-N 2.86Š| ||
| 109 | N | 36.5 | Very low | 50.9 | Low | 128 Ų | 128 | 80.5 Ų | 80.5 | 68% | 0.684 | 45% | 0.447 | S | S | * | . | trans | -128.9 | 76.5 | 172.1 | -156.1 | 7.5 | 0 | 0 | 0 | 110.3 | V107 | V107-N109 HydrophobicContact CG1-CB 4.36Å; V107-N109 PolarHBondContact O-N 2.97Å | ||
| 110 | Q | 42.5 | Very low | 52.6 | Low | 173 Ų | 173 | 78.4 Ų | 78.4 | 81% | 0.808 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 64.9 | 117.9 | 168.1 | -51.9 | -176.2 | 8.7 | 0 | 0 | 117.1 | ||
| 111 | S | 52.4 | Low | 54.8 | Low | 95 Ų | 95 | 76 Ų | 76 | 66% | 0.664 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 87.1 | 16.1 | 161.7 | 76.6 | 0 | 0 | 0 | 0 | 121.3 | D53 | D53-S111 WeakPolarHBondContact OD2-CA 3.27Š|
| 112 | G | 57.9 | Low | 57.1 | Low | 34 Ų | 34 | 75.5 Ų | 75.5 | 35% | 0.351 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.1 | 164.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | I51 D53 | I51-G112 CarbonylContact O-C 3.55Å; I51-G112 WeakPolarHBondContact O-CA 3.37Å; D53-G112 WeakPolarHBondContact OD1-CA 3.4Å; D53-G112 PolarHBondContact OD1-N 2.8Å |
| 113 | W | 64.6 | Low | 59.4 | Low | 62 Ų | 62 | 76 Ų | 76 | 24% | 0.235 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 132.3 | 166 | -68.4 | 51.7 | 0 | 0 | 0 | 109.4 | I50 I51 I58 N66 I68 | I50-W113 CarbonylContact C-O 3.49Å; I50-W113 WeakPolarHBondContact CA-O 3.39Å; I51-W113 HydrophobicContact CB-CB 4.25Å; I51-W113 PolarHBondContact N-O 2.93Å; I51-W113 PolarHBondContact O-N 2.82Å; I58-W113 HydrophobicContact CD1-CG 4.19Å; N66-W113 HydrophobicContact CB-CH2 3.84Å; N66-W113 HydrophobicContact CB-CZ3 4.35Å; N66-W113 WeakPolarHBondContact O-CZ3 3.42Å; I68-W113 HydrophobicContact CD1-CB 4.1Å; I68-W113 HydrophobicContact CD1-CE3 4.15Å; I68-W113 HydrophobicContact CG1-CE3 4.23Å |
| 114 | N | 72 | Confident | 61.6 | Low | 86 Ų | 86 | 75.5 Ų | 75.5 | 46% | 0.46 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 129.8 | 174.3 | -175.4 | 12.3 | 0 | 0 | 0 | 109.7 | C49 | C49-N114 WeakPolarHBondContact O-CA 3.4Å |
| 115 | S | 73.1 | Confident | 64 | Low | 12 Ų | 12 | 72.7 Ų | 72.7 | 8% | 0.084 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.3 | 172.7 | 178 | 0 | 0 | 0 | 0 | 109.5 | S48 C49 W70 | S48-S115 CarbonylContact C-O 3.47Å; S48-S115 VanDerWaalsContact CA-O 3.29Å; S48-S115 WeakPolarHBondContact CA-O 3.32Å; C49-S115 PolarHBondContact N-O 2.82Å; C49-S115 PolarHBondContact O-N 2.93Å; W70-S115 PolarHBondContact NE1-OG 2.87Å |
| 116 | T | 74.6 | Confident | 66.6 | Low | 47 Ų | 47 | 69.1 Ų | 69.1 | 29% | 0.288 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 139.4 | 174.2 | 50.6 | 0 | 0 | 0 | 0 | 110.9 | A47 | A47-T116 CarbonylContact O-C 3.44Å; A47-T116 WeakPolarHBondContact O-CA 3.47Å |
| 117 | V | 77.6 | Confident | 69 | Low | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 139.4 | 171.1 | 65.1 | 0 | 0 | 0 | 0 | 110.4 | T46 A47 W70 I77 L129 | T46-V117 WeakPolarHBondContact CA-O 3.19Å; A47-V117 HydrophobicContact CB-CG1 4.03Å; A47-V117 PolarHBondContact N-O 3.12Å; A47-V117 PolarHBondContact O-N 3.03Å; W70-V117 HydrophobicContact CB-CG2 4.41Å; W70-V117 HydrophobicContact CD2-CB 3.92Å; W70-V117 HydrophobicContact CD2-CG1 3.49Å; W70-V117 VanDerWaalsContact CD2-CG1 3.49Å; W70-V117 HydrophobicContact CE3-CG1 3.73Å; W70-V117 HydrophobicContact CG-CB 3.87Å; W70-V117 HydrophobicContact CG-CG1 3.93Å; W70-V117 HydrophobicContact CG-CG2 4.27Å; W70-V117 HydrophobicContact CH2-CG1 4.02Å; W70-V117 HydrophobicContact CZ2-CB 4.4Å; W70-V117 HydrophobicContact CZ2-CG1 3.84Å; W70-V117 HydrophobicContact CZ3-CG1 3.99Å; I77-V117 HydrophobicContact CD1-CG2 3.91Å; I77-V117 HydrophobicContact CG2-CG2 4.17Å; V117-L129 HydrophobicContact CG1-CD1 4.42Å; V117-L129 HydrophobicContact CG1-CD2 3.85Å |
| 118 | F | 80.2 | Confident | 71.5 | Confident | 78 Ų | 78 | 63.5 Ų | 63.5 | 34% | 0.342 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.1 | 176.2 | -179.7 | -106.6 | 0 | 0 | 0 | 109.1 | P44 P120 | P44-F118 HydrophobicContact CB-CE2 3.83Å; P44-F118 HydrophobicContact CB-CZ 3.86Å; F118-P120 HydrophobicContact CE1-CB 3.81Å; F118-P120 HydrophobicContact CZ-CB 4.41Å |
| 119 | I | 79.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 112 | 175.3 | -59.4 | 178.9 | 0 | 0 | 0 | 105.6 | P44 V45 L72 I77 W99 S121 F122 L129 | P44-I119 CarbonylContact C-O 3.56Å; P44-I119 WeakPolarHBondContact CA-O 3.48Å; P44-I119 WeakPolarHBondContact CB-O 3.19Å; V45-I119 HydrophobicContact CB-CB 4.34Å; V45-I119 PolarHBondContact N-O 2.92Å; V45-I119 PolarHBondContact O-N 3.34Å; L72-I119 HydrophobicContact CD2-CD1 4.49Å; I77-I119 HydrophobicContact CD1-CD1 4.33Å; I77-I119 HydrophobicContact CD1-CG1 4.49Å; W99-I119 HydrophobicContact CE3-CG1 4.32Å; W99-I119 HydrophobicContact CE3-CG2 4.31Å; W99-I119 HydrophobicContact CH2-CG2 4.17Å; W99-I119 HydrophobicContact CZ3-CB 4.16Å; W99-I119 HydrophobicContact CZ3-CD1 4.09Å; W99-I119 HydrophobicContact CZ3-CG1 3.83Å; W99-I119 HydrophobicContact CZ3-CG2 3.54Å; I119-S121 VanDerWaalsContact C-N 3.34Å; I119-S121 PolarHBondContact O-N 2.89Å; I119-F122 HydrophobicContact CD1-CD2 4.41Å; I119-F122 HydrophobicContact CG2-CB 4.44Å; I119-F122 HydrophobicContact CG2-CD2 4.39Å; I119-L129 HydrophobicContact CD1-CD1 4.33Å; I119-L129 HydrophobicContact CD1-CD2 4.45Å |
| 120 | P | 73.9 | Confident | 76.1 | Confident | 49 Ų | 49 | 53.5 Ų | 53.5 | 32% | 0.318 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -73.1 | -24 | -173.3 | 22.8 | -29.3 | 0 | 0 | 0 | 114.1 | P44 G98 F118 | P44-P120 WeakPolarHBondContact CA-O 3.47Å; P44-P120 WeakPolarHBondContact CB-O 3.43Å; G98-P120 WeakPolarHBondContact O-CG 3.33Å; F118-P120 HydrophobicContact CE1-CB 3.81Å; F118-P120 HydrophobicContact CZ-CB 4.41Å |
| 121 | S | 81 | Confident | 78 | Confident | 59 Ų | 59 | 45.3 Ų | 45.3 | 41% | 0.413 | 26% | 0.255 | S | S | . | . | trans | -150.4 | 123 | 175.9 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | G42 I119 | G42-S121 VanDerWaalsContact C-OG 3.32Å; G42-S121 WeakPolarHBondContact CA-OG 3.49Å; G42-S121 WeakPolarHBondContact O-CA 3.32Å; G42-S121 WeakPolarHBondContact O-CB 3.21Å; G42-S121 PolarHBondContact O-OG 3.03Å; I119-S121 VanDerWaalsContact C-N 3.34Å; I119-S121 PolarHBondContact O-N 2.89Å | ||
| 122 | F | 83.4 | Confident | 79.2 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | trans | -105.1 | 106 | -179.1 | -169.2 | -91.5 | 0 | 0 | 0 | 110.8 | G42 S43 V45 L72 I119 D124 I147 A149 | G42-F122 WeakPolarHBondContact CA-O 3.29Å; G42-F122 PolarHBondContact N-O 3.43Å; S43-F122 PolarHBondContact O-N 2.83Å; V45-F122 HydrophobicContact CG2-CB 3.77Å; V45-F122 HydrophobicContact CG2-CD2 4.22Å; V45-F122 HydrophobicContact CG2-CG 4.06Å; L72-F122 HydrophobicContact CD1-CE2 3.77Å; L72-F122 HydrophobicContact CD1-CZ 4.37Å; L72-F122 HydrophobicContact CD2-CD2 4.34Å; L72-F122 HydrophobicContact CD2-CE2 3.93Å; I119-F122 HydrophobicContact CD1-CD2 4.41Å; I119-F122 HydrophobicContact CG2-CB 4.44Å; I119-F122 HydrophobicContact CG2-CD2 4.39Å; F122-D124 WeakPolarHBondContact CD1-O 3.49Å; F122-D124 HydrophobicContact CE1-CB 4.33Å; F122-D124 WeakPolarHBondContact CE1-O 3.12Å; F122-D124 HydrophobicContact CZ-CB 4.47Å; F122-I147 HydrophobicContact CD1-CG2 4.02Å; F122-I147 HydrophobicContact CD2-CD1 4.38Å; F122-I147 HydrophobicContact CD2-CG2 4.38Å; F122-I147 HydrophobicContact CE1-CB 4.16Å; F122-I147 HydrophobicContact CE1-CG2 3.58Å; F122-I147 HydrophobicContact CE2-CB 4.15Å; F122-I147 HydrophobicContact CE2-CD1 3.78Å; F122-I147 HydrophobicContact CE2-CG2 4.01Å; F122-I147 HydrophobicContact CG-CG2 4.38Å; F122-I147 HydrophobicContact CZ-CB 3.71Å; F122-I147 HydrophobicContact CZ-CD1 4.21Å; F122-I147 HydrophobicContact CZ-CG2 3.59Å; F122-A149 HydrophobicContact CD1-CB 3.69Å; F122-A149 HydrophobicContact CE1-CB 4.04Å | ||
| 123 | T | 84.3 | Confident | 80 | Confident | 94 Ų | 94 | 39.9 Ų | 39.9 | 58% | 0.577 | 21% | 0.211 | S | C | * | . | trans | -90.6 | -25.5 | -170.9 | 51.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 124 | D | 83.2 | Confident | 80.1 | Confident | 56 Ų | 56 | 39 Ų | 39 | 30% | 0.299 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -77 | 140.7 | -175.4 | -60 | -11.1 | 0 | 0 | 0 | 109.8 | N73 F122 K126 | N73-D124 PolarHBondContact ND2-OD2 2.84Å; F122-D124 WeakPolarHBondContact CD1-O 3.49Å; F122-D124 HydrophobicContact CE1-CB 4.33Å; F122-D124 WeakPolarHBondContact CE1-O 3.12Å; F122-D124 HydrophobicContact CZ-CB 4.47Å; D124-K126 PolarHBondContact O-N 3.1Å |
| 125 | T | 84.1 | Confident | 79.5 | Confident | 66 Ų | 66 | 39.1 Ų | 39.1 | 41% | 0.405 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -67.1 | -23.6 | 176.4 | 54.3 | 0 | 0 | 0 | 0 | 112.7 | L41 A149 H182 | L41-T125 HydrophobicContact CD1-CG2 3.95Å; T125-A149 WeakPolarHBondContact CA-O 3.28Å; T125-A149 PolarHBondContact O-N 2.85Å; T125-A149 VanDerWaalsContact O-O 3.14Å; T125-H182 HydrophobicContact CG2-CB 3.81Å; T125-H182 VanDerWaalsContact CG2-CD2 3.41Å; T125-H182 WeakPolarHBondContact CG2-CD2 3.27Å |
| 126 | K | 88.6 | Confident | 78.8 | Confident | 88 Ų | 88 | 43.8 Ų | 43.8 | 38% | 0.383 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 137.2 | 173.9 | 170.4 | 168.7 | 166.4 | 153.3 | 0 | 110 | D124 Y128 E146 I147 | D124-K126 PolarHBondContact O-N 3.1Å; K126-Y128 VanDerWaalsContact CE-CZ 3.49Å; K126-Y128 WeakPolarHBondContact CE-OH 3.48Å; K126-Y128 PolarHBondContact NZ-OH 2.83Å; K126-E146 HydrophobicContact CD-CG 4.49Å; K126-E146 VanDerWaalsContact CE-CD 3.43Å; K126-E146 VanDerWaalsContact CE-OE1 3.27Å; K126-E146 WeakPolarHBondContact CE-OE1 3.08Å; K126-E146 HydrophobicContact CG-CG 4.41Å; K126-E146 IonicContact NZ-OE1 2.69Å; K126-E146 PolarHBondContact NZ-OE1 3.22Å; K126-E146 IonicContact NZ-OE2 3.17Å; K126-E146 PolarHBondContact NZ-OE2 2.85Å; K126-I147 WeakPolarHBondContact CA-O 3.18Å |
| 127 | G | 85.9 | Confident | 77.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 153.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N73 I147 | N73-G127 VanDerWaalsContact OD1-CA 3.29Å; N73-G127 WeakPolarHBondContact OD1-CA 3.46Å; G127-I147 PolarHBondContact N-O 2.83Å; G127-I147 PolarHBondContact O-N 2.7Å |
| 128 | Y | 87.5 | Confident | 76.9 | Confident | 99 Ų | 99 | 55.4 Ų | 55.4 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 111.4 | 175.2 | -70 | -76.7 | 0 | 0 | 0 | 109.4 | N73 K126 E146 | N73-Y128 PolarHBondContact N-O 3.48Å; N73-Y128 PolarHBondContact OD1-N 3.02Å; K126-Y128 VanDerWaalsContact CE-CZ 3.49Å; K126-Y128 WeakPolarHBondContact CE-OH 3.48Å; K126-Y128 PolarHBondContact NZ-OH 2.83Å; Y128-E146 HydrophobicContact CD1-CB 4.04Å; Y128-E146 HydrophobicContact CD1-CG 4.3Å; Y128-E146 HydrophobicContact CE1-CB 3.7Å; Y128-E146 HydrophobicContact CE1-CG 3.77Å; Y128-E146 WeakPolarHBondContact CE1-OE2 3.43Å; Y128-E146 PolarHBondContact OH-OE2 2.73Å |
| 129 | L | 85.7 | Confident | 76.5 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 119.8 | 173 | -177.1 | 63.3 | 0 | 0 | 0 | 108.4 | A47 W70 L72 I77 V117 I119 A144 V145 I147 | A47-L129 HydrophobicContact CB-CD2 3.48Å; A47-L129 VanDerWaalsContact CB-CD2 3.48Å; W70-L129 HydrophobicContact CE3-CD1 3.85Å; W70-L129 HydrophobicContact CE3-CD2 4.13Å; W70-L129 HydrophobicContact CE3-CG 3.71Å; W70-L129 HydrophobicContact CZ3-CD1 4.43Å; W70-L129 HydrophobicContact CZ3-CD2 3.93Å; W70-L129 HydrophobicContact CZ3-CG 3.79Å; L72-L129 HydrophobicContact CB-CD1 4.49Å; I77-L129 HydrophobicContact CD1-CD1 3.91Å; V117-L129 HydrophobicContact CG1-CD1 4.42Å; V117-L129 HydrophobicContact CG1-CD2 3.85Å; I119-L129 HydrophobicContact CD1-CD1 4.33Å; I119-L129 HydrophobicContact CD1-CD2 4.45Å; L129-A144 WeakPolarHBondContact O-CA 3.41Å; L129-V145 HydrophobicContact CB-CG1 3.94Å; L129-V145 PolarHBondContact N-O 2.95Å; L129-V145 PolarHBondContact O-N 2.95Å; L129-I147 HydrophobicContact CB-CD1 3.72Å; L129-I147 HydrophobicContact CD2-CD1 4.08Å |
| 130 | T | 86.1 | Confident | 76.4 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.6 | -174.7 | 57.8 | 0 | 0 | 0 | 0 | 110.6 | W70 H71 G143 A144 | W70-T130 WeakPolarHBondContact CA-O 3.43Å; H71-T130 WeakPolarHBondContact CB-OG1 3.04Å; H71-T130 PolarHBondContact N-O 2.78Å; H71-T130 PolarHBondContact O-N 3.2Å; H71-T130 PolarHBondContact O-OG1 2.75Å; T130-G143 WeakPolarHBondContact CA-O 3.06Å; T130-A144 HydrophobicContact CG2-CB 3.88Å |
| 131 | C | 82 | Confident | 76.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.2 | 171.9 | 175.5 | 0 | 0 | 0 | 0 | 108.3 | V32 C49 I68 W70 V142 G143 | V32-C131 HydrophobicContact CG2-CB 3.65Å; C49-C131 HydrophobicContact CB-CB 3.61Å; C49-C131 WeakPolarHBondContact CB-SG 3.36Å; C49-C131 WeakPolarHBondContact SG-CB 3.35Å; C49-C131 CovalentContact SG-SG 2.03Å; C49-C131 PolarHBondContact SG-SG 3.18Å; I68-C131 VanDerWaalsContact CG2-SG 3.52Å; W70-C131 HydrophobicContact CE3-CB 4.13Å; W70-C131 HydrophobicContact CH2-CB 4.3Å; W70-C131 HydrophobicContact CZ3-CB 4.01Å; C131-V142 HydrophobicContact CB-CG2 4.17Å; C131-V142 VanDerWaalsContact O-CG2 3.24Å; C131-V142 WeakPolarHBondContact O-CG2 3.5Å; C131-V142 PolarHBondContact O-N 2.91Å; C131-V142 VanDerWaalsContact SG-CG2 3.59Å; C131-G143 PolarHBondContact N-O 2.74Å; C131-G143 PolarHBondContact O-N 3.1Å |
| 132 | C | 78.4 | Confident | 76.3 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.02 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 146 | -176.9 | -49.3 | 0 | 0 | 0 | 0 | 110.5 | I68 V69 C139 Q140 | I68-C132 WeakPolarHBondContact CA-O 3.4Å; V69-C132 PolarHBondContact N-O 2.87Å; V69-C132 PolarHBondContact O-N 2.82Å; C132-C139 HydrophobicContact CB-CB 4.32Å; C132-C139 WeakPolarHBondContact CB-SG 3.45Å; C132-Q140 CarbonylContact C-O 3.32Å; C132-Q140 WeakPolarHBondContact CA-O 3.34Å; C132-Q140 WeakPolarHBondContact CB-O 3.42Å |
| 133 | V | 74.3 | Confident | 76.1 | Confident | 12 Ų | 12 | 60 Ų | 60 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 122.7 | 175.2 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | I51 I68 H135 C139 Q140 V142 | I51-V133 HydrophobicContact CD1-CG2 3.55Å; I68-V133 HydrophobicContact CG1-CG2 4.31Å; V133-H135 PolarHBondContact O-N 3.28Å; V133-C139 PolarHBondContact O-SG 2.99Å; V133-C139 VanDerWaalsContact O-SG 3.39Å; V133-Q140 PolarHBondContact N-O 2.88Å; V133-Q140 PolarHBondContact O-N 2.83Å; V133-Q140 VanDerWaalsContact O-N 3.13Å; V133-V142 HydrophobicContact CB-CG1 4.11Å; V133-V142 HydrophobicContact CG2-CB 4.44Å; V133-V142 HydrophobicContact CG2-CG1 3.67Å; V133-V142 HydrophobicContact CG2-CG2 3.95Å |
| 134 | L | 66.6 | Low | 76.1 | Confident | 43 Ų | 43 | 58.6 Ų | 58.6 | 23% | 0.225 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 99.1 | -179.1 | -137.6 | 157 | 0 | 0 | 0 | 108.3 | N66 H67 V69 F137 C139 | N66-L134 WeakPolarHBondContact CA-O 3.3Å; H67-L134 PolarHBondContact O-N 3.45Å; V69-L134 HydrophobicContact CG2-CB 4.35Å; V69-L134 HydrophobicContact CG2-CD1 3.92Å; L134-F137 HydrophobicContact CD2-CD2 4.27Å; L134-F137 HydrophobicContact CD2-CE2 4.09Å; L134-C139 HydrophobicContact CD1-CB 4.42Å; L134-C139 HydrophobicContact CG-CB 4.08Å |
| 135 | H | 60.6 | Low | 76.3 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 42% | 0.417 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -112.9 | -33.8 | -179.2 | -157.4 | -32.3 | 0 | 0 | 0 | 111.9 | N66 V133 | N66-H135 PolarHBondContact ND2-CD2 2.87Å; N66-H135 PolarHBondContact ND2-NE2 2.95Å; N66-H135 VanDerWaalsContact ND2-NE2 3.18Å; N66-H135 PolarHBondContact OD1-ND1 2.96Å; V133-H135 PolarHBondContact O-N 3.28Å |
| 136 | T | 57.1 | Low | 76.5 | Confident | 109 Ų | 109 | 56.6 Ų | 56.6 | 67% | 0.669 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -151.1 | 164.9 | 165.2 | 45.2 | 0 | 0 | 0 | 0 | 107.1 | P138 | T136-P138 CarbonylContact O-C 3.59Å; T136-P138 VanDerWaalsContact O-O 3.06Å |
| 137 | F | 53.3 | Low | 76.5 | Confident | 181 Ų | 181 | 52.4 Ų | 52.4 | 79% | 0.794 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -79.2 | 138.2 | 168 | -87.6 | -92.5 | 0 | 0 | 0 | 110.6 | L134 | L134-F137 HydrophobicContact CD2-CD2 4.27Å; L134-F137 HydrophobicContact CD2-CE2 4.09Å |
| 138 | P | 59.8 | Low | 76.6 | Confident | 118 Ų | 118 | 57.3 Ų | 57.3 | 77% | 0.766 | 30% | 0.303 | S | S | * | . | S | Bend | cis | -78.8 | 156.8 | -5.5 | 33.9 | -35.8 | 0 | 0 | 0 | 113.4 | T136 | T136-P138 CarbonylContact O-C 3.59Å; T136-P138 VanDerWaalsContact O-O 3.06Å |
| 139 | C | 72.6 | Confident | 76.7 | Confident | 31 Ų | 31 | 52.6 Ų | 52.6 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 137.4 | -178 | -160.5 | 0 | 0 | 0 | 0 | 112.4 | C132 V133 L134 | C132-C139 HydrophobicContact CB-CB 4.32Å; C132-C139 WeakPolarHBondContact CB-SG 3.45Å; V133-C139 PolarHBondContact O-SG 2.99Å; V133-C139 VanDerWaalsContact O-SG 3.39Å; L134-C139 HydrophobicContact CD1-CB 4.42Å; L134-C139 HydrophobicContact CG-CB 4.08Å |
| 140 | Q | 75.7 | Confident | 76.9 | Confident | 103 Ų | 103 | 52.5 Ų | 52.5 | 48% | 0.481 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 121.7 | -177.8 | -176 | 174.5 | 1.3 | 0 | 0 | 111.2 | C132 V133 V142 | C132-Q140 CarbonylContact C-O 3.32Å; C132-Q140 WeakPolarHBondContact CA-O 3.34Å; C132-Q140 WeakPolarHBondContact CB-O 3.42Å; V133-Q140 PolarHBondContact N-O 2.88Å; V133-Q140 PolarHBondContact O-N 2.83Å; V133-Q140 VanDerWaalsContact O-N 3.13Å; Q140-V142 PolarHBondContact O-N 3.11Å |
| 141 | I | 77 | Confident | 77.1 | Confident | 110 Ų | 110 | 55.1 Ų | 55.1 | 56% | 0.564 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67 | 125.5 | 173.2 | -53.9 | 172.5 | 0 | 0 | 0 | 109 | ||
| 142 | V | 77.1 | Confident | 77.5 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | -18.1 | 180 | -65.5 | 0 | 0 | 0 | 0 | 113.3 | V30 I51 L57 C131 V133 Q140 | V30-V142 HydrophobicContact CB-CB 4.49Å; V30-V142 WeakPolarHBondContact CB-O 3.44Å; V30-V142 HydrophobicContact CG1-CB 4.04Å; V30-V142 HydrophobicContact CG1-CG2 3.99Å; V30-V142 VanDerWaalsContact CG1-O 3.27Å; V30-V142 WeakPolarHBondContact CG1-O 3.5Å; V30-V142 HydrophobicContact CG2-CB 3.89Å; I51-V142 HydrophobicContact CD1-CG2 4.17Å; L57-V142 HydrophobicContact CD1-CG1 3.73Å; C131-V142 HydrophobicContact CB-CG2 4.17Å; C131-V142 VanDerWaalsContact O-CG2 3.24Å; C131-V142 WeakPolarHBondContact O-CG2 3.5Å; C131-V142 PolarHBondContact O-N 2.91Å; C131-V142 VanDerWaalsContact SG-CG2 3.59Å; V133-V142 HydrophobicContact CB-CG1 4.11Å; V133-V142 HydrophobicContact CG2-CB 4.44Å; V133-V142 HydrophobicContact CG2-CG1 3.67Å; V133-V142 HydrophobicContact CG2-CG2 3.95Å; Q140-V142 PolarHBondContact O-N 3.11Å |
| 143 | G | 79.1 | Confident | 78.2 | Confident | 17 Ų | 17 | 58.8 Ų | 58.8 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | 159.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T130 C131 | T130-G143 WeakPolarHBondContact CA-O 3.06Å; C131-G143 PolarHBondContact N-O 2.74Å; C131-G143 PolarHBondContact O-N 3.1Å |
| 144 | A | 84.1 | Confident | 79 | Confident | 66 Ų | 66 | 60.7 Ų | 60.7 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 151.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L129 T130 | L129-A144 WeakPolarHBondContact O-CA 3.41Å; T130-A144 HydrophobicContact CG2-CB 3.88Å |
| 145 | V | 86.8 | Confident | 80.2 | Confident | 26 Ų | 26 | 60.9 Ų | 60.9 | 16% | 0.158 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 136.8 | 173.2 | 62.1 | 0 | 0 | 0 | 0 | 110.2 | V32 T34 L129 | V32-V145 HydrophobicContact CG1-CB 4.06Å; V32-V145 HydrophobicContact CG1-CG1 3.71Å; T34-V145 HydrophobicContact CG2-CB 4.38Å; T34-V145 HydrophobicContact CG2-CG1 3.63Å; T34-V145 HydrophobicContact CG2-CG2 3.86Å; L129-V145 HydrophobicContact CB-CG1 3.94Å; L129-V145 PolarHBondContact N-O 2.95Å; L129-V145 PolarHBondContact O-N 2.95Å |
| 146 | E | 88.4 | Confident | 81.8 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 25% | 0.248 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 122.3 | 174.7 | -171.7 | 172.1 | 142.7 | 0 | 0 | 109.5 | K126 Y128 R148 | K126-E146 HydrophobicContact CD-CG 4.49Å; K126-E146 VanDerWaalsContact CE-CD 3.43Å; K126-E146 VanDerWaalsContact CE-OE1 3.27Å; K126-E146 WeakPolarHBondContact CE-OE1 3.08Å; K126-E146 HydrophobicContact CG-CG 4.41Å; K126-E146 IonicContact NZ-OE1 2.69Å; K126-E146 PolarHBondContact NZ-OE1 3.22Å; K126-E146 IonicContact NZ-OE2 3.17Å; K126-E146 PolarHBondContact NZ-OE2 2.85Å; Y128-E146 HydrophobicContact CD1-CB 4.04Å; Y128-E146 HydrophobicContact CD1-CG 4.3Å; Y128-E146 HydrophobicContact CE1-CB 3.7Å; Y128-E146 HydrophobicContact CE1-CG 3.77Å; Y128-E146 WeakPolarHBondContact CE1-OE2 3.43Å; Y128-E146 PolarHBondContact OH-OE2 2.73Å; E146-R148 HydrophobicContact CG-CG 4.47Å; E146-R148 IonicContact OE1-CZ 2.84Å; E146-R148 IonicContact OE1-NE 2.78Å; E146-R148 PolarHBondContact OE1-NE 2.96Å; E146-R148 IonicContact OE1-NH2 3.47Å; E146-R148 PolarHBondContact OE1-NH2 3.38Å |
| 147 | I | 88 | Confident | 83.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.6 | 170.3 | -57.6 | 159.6 | 0 | 0 | 0 | 107.2 | T34 V39 V45 F122 K126 G127 L129 | T34-I147 HydrophobicContact CG2-CG1 4.39Å; V39-I147 HydrophobicContact CG2-CG2 4.26Å; V45-I147 HydrophobicContact CG1-CD1 3.91Å; V45-I147 HydrophobicContact CG1-CG1 4.39Å; V45-I147 HydrophobicContact CG2-CG2 4.28Å; F122-I147 HydrophobicContact CD1-CG2 4.02Å; F122-I147 HydrophobicContact CD2-CD1 4.38Å; F122-I147 HydrophobicContact CD2-CG2 4.38Å; F122-I147 HydrophobicContact CE1-CB 4.16Å; F122-I147 HydrophobicContact CE1-CG2 3.58Å; F122-I147 HydrophobicContact CE2-CB 4.15Å; F122-I147 HydrophobicContact CE2-CD1 3.78Å; F122-I147 HydrophobicContact CE2-CG2 4.01Å; F122-I147 HydrophobicContact CG-CG2 4.38Å; F122-I147 HydrophobicContact CZ-CB 3.71Å; F122-I147 HydrophobicContact CZ-CD1 4.21Å; F122-I147 HydrophobicContact CZ-CG2 3.59Å; K126-I147 WeakPolarHBondContact CA-O 3.18Å; G127-I147 PolarHBondContact N-O 2.83Å; G127-I147 PolarHBondContact O-N 2.7Å; L129-I147 HydrophobicContact CB-CD1 3.72Å; L129-I147 HydrophobicContact CD2-CD1 4.08Å |
| 148 | R | 89.2 | Confident | 85.4 | Confident | 103 Ų | 103 | 54.2 Ų | 54.2 | 39% | 0.389 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.5 | 168.3 | -62.4 | -174.3 | -177.2 | 178.5 | 4.1 | 110.2 | P37 V38 V39 E146 L183 | P37-R148 PolarHBondContact O-N 3.26Å; V38-R148 VanDerWaalsContact CA-O 3.3Å; V38-R148 WeakPolarHBondContact CA-O 3.18Å; V38-R148 HydrophobicContact CG1-CB 4.39Å; V38-R148 HydrophobicContact CG2-CB 4.43Å; V39-R148 PolarHBondContact N-O 2.78Å; E146-R148 HydrophobicContact CG-CG 4.47Å; E146-R148 IonicContact OE1-CZ 2.84Å; E146-R148 IonicContact OE1-NE 2.78Å; E146-R148 PolarHBondContact OE1-NE 2.96Å; E146-R148 IonicContact OE1-NH2 3.47Å; E146-R148 PolarHBondContact OE1-NH2 3.38Å; R148-L183 HydrophobicContact CB-CD2 4Å |
| 149 | A | 88.7 | Confident | 87 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V39 L41 F122 T125 | V39-A149 HydrophobicContact CG2-CB 3.89Å; V39-A149 VanDerWaalsContact O-CA 3.28Å; V39-A149 WeakPolarHBondContact O-CA 3.35Å; L41-A149 HydrophobicContact CB-CB 4.36Å; L41-A149 HydrophobicContact CG-CB 4.45Å; F122-A149 HydrophobicContact CD1-CB 3.69Å; F122-A149 HydrophobicContact CE1-CB 4.04Å; T125-A149 WeakPolarHBondContact CA-O 3.28Å; T125-A149 PolarHBondContact O-N 2.85Å; T125-A149 VanDerWaalsContact O-O 3.14Å |
| 150 | G | 90.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.7 | -152.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V39 A40 L41 T181 L234 | V39-G150 PolarHBondContact O-N 3.38Å; A40-G150 CarbonylContact C-O 3.55Å; A40-G150 WeakPolarHBondContact CA-O 3.44Å; L41-G150 PolarHBondContact N-O 3.37Å; G150-T181 CarbonylContact C-O 3.47Å; G150-T181 WeakPolarHBondContact CA-O 3.47Å; G150-L234 WeakPolarHBondContact O-CD1 3.31Å |
| 151 | F | 89.8 | Confident | 88.9 | Confident | 69 Ų | 69 | 45.9 Ų | 45.9 | 30% | 0.303 | 26% | 0.259 | S | S | . | . | trans | -119.1 | 150.8 | -173.8 | -56.2 | -70.5 | 0 | 0 | 0 | 111.9 | L41 T181 N232 | L41-F151 HydrophobicContact CB-CE1 3.99Å; L41-F151 HydrophobicContact CB-CZ 4.01Å; L41-F151 HydrophobicContact CD1-CE2 4.37Å; L41-F151 HydrophobicContact CD1-CZ 4.23Å; L41-F151 HydrophobicContact CD2-CZ 4.46Å; L41-F151 HydrophobicContact CG-CZ 4.47Å; F151-T181 PolarHBondContact N-O 3.38Å; F151-T181 WeakPolarHBondContact O-CB 3.22Å; F151-N232 PolarHBondContact O-ND2 2.88Å | ||
| 152 | P | 90.6 | Very high | 89.8 | Confident | 68 Ų | 68 | 44.1 Ų | 44.1 | 44% | 0.442 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 153.6 | 164.8 | 29.2 | -35.3 | 0 | 0 | 0 | 109.8 | T154 L234 | P152-T154 PolarHBondContact O-N 3.08Å; P152-L234 HydrophobicContact CB-CB 4.27Å |
| 153 | P | 92.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 43 Ų | 43 | 8% | 0.078 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 134.6 | -175.7 | 29.8 | -33.3 | 0 | 0 | 0 | 110.8 | T181 T185 A230 A237 | P153-T181 HydrophobicContact CB-CG2 4.39Å; P153-T185 HydrophobicContact CB-CG2 4.11Å; P153-A230 HydrophobicContact CB-CB 3.82Å; P153-A230 HydrophobicContact CG-CB 4.36Å; P153-A237 HydrophobicContact CG-CB 4.38Å; P153-A237 VanDerWaalsContact O-CB 3.22Å; P153-A237 WeakPolarHBondContact O-CB 3.34Å |
| 154 | T | 91.8 | Very high | 91.2 | Very high | 53 Ų | 53 | 45 Ų | 45 | 33% | 0.325 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 151.3 | 165.9 | 44 | 0 | 0 | 0 | 0 | 110.7 | P152 P156 P177 Q179 | P152-T154 PolarHBondContact O-N 3.08Å; T154-P156 WeakPolarHBondContact O-CD 3.41Å; T154-P177 PolarHBondContact OG1-O 3.47Å; T154-Q179 PolarHBondContact OG1-N 2.87Å |
| 155 | A | 92.5 | Very high | 91.5 | Very high | 46 Ų | 46 | 41.8 Ų | 41.8 | 38% | 0.38 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -57.7 | 125 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q157 A237 T238 | A155-Q157 WeakPolarHBondContact O-CG 3.37Å; A155-A237 HydrophobicContact CB-CB 4.41Å; A155-T238 WeakPolarHBondContact CB-O 3.46Å |
| 156 | P | 93.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 138.2 | 177.8 | -23.8 | 33.6 | 0 | 0 | 0 | 111.5 | T154 W175 Y187 V228 A230 S239 | T154-P156 WeakPolarHBondContact O-CD 3.41Å; P156-W175 HydrophobicContact CB-CB 4.48Å; P156-W175 HydrophobicContact CB-CG 4.29Å; P156-Y187 HydrophobicContact CG-CD1 4.39Å; P156-Y187 HydrophobicContact CG-CE1 4.18Å; P156-V228 HydrophobicContact CB-CB 4.32Å; P156-V228 HydrophobicContact CB-CG1 4.36Å; P156-V228 HydrophobicContact CG-CB 4.21Å; P156-V228 HydrophobicContact CG-CG1 3.96Å; P156-A230 HydrophobicContact CG-CB 4.12Å; P156-S239 WeakPolarHBondContact O-CB 3.43Å |
| 157 | Q | 92.3 | Very high | 91.1 | Very high | 128 Ų | 128 | 46.1 Ų | 46.1 | 60% | 0.598 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 170.2 | -173.3 | -56.3 | -169.4 | 11.6 | 0 | 0 | 111.2 | A155 L159 D176 | A155-Q157 WeakPolarHBondContact O-CG 3.37Å; Q157-L159 PolarHBondContact O-N 3.48Å; Q157-D176 PolarHBondContact N-O 2.92Å; Q157-D176 PolarHBondContact O-N 3.29Å |
| 158 | N | 93.3 | Very high | 91 | Very high | 110 Ų | 110 | 51.2 Ų | 51.2 | 59% | 0.588 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 54.7 | 30.7 | 171.6 | -159.6 | 16 | 0 | 0 | 0 | 114.2 | S160 D176 | N158-S160 PolarHBondContact O-N 2.88Å; N158-S160 PolarHBondContact O-OG 3.09Å; N158-S160 VanDerWaalsContact O-OG 3.08Å; N158-D176 HydrophobicContact CB-CB 4.32Å; N158-D176 WeakPolarHBondContact CB-OD2 3.47Å; N158-D176 PolarHBondContact ND2-OD2 3.35Å |
| 159 | L | 94.3 | Very high | 91 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 114.2 | 177.8 | 177.1 | 59.1 | 0 | 0 | 0 | 108.8 | Q157 Q174 W175 I226 V228 L242 | Q157-L159 PolarHBondContact O-N 3.48Å; L159-Q174 WeakPolarHBondContact CA-O 3.49Å; L159-W175 HydrophobicContact CB-CB 4.42Å; L159-W175 HydrophobicContact CD1-CB 4.21Å; L159-W175 HydrophobicContact CD1-CE3 4.05Å; L159-I226 HydrophobicContact CD2-CG2 4.42Å; L159-I226 WeakPolarHBondContact CD2-O 3.32Å; L159-V228 HydrophobicContact CD1-CG2 3.91Å; L159-V228 HydrophobicContact CD2-CG2 4.26Å; L159-L242 HydrophobicContact CD2-CB 4.04Å; L159-L242 HydrophobicContact CG-CB 4.23Å; L159-L242 HydrophobicContact CG-CD2 4.28Å |
| 160 | S | 94.5 | Very high | 91.2 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 29% | 0.287 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 134.3 | -174.1 | 44.9 | 0 | 0 | 0 | 0 | 109.5 | N158 C173 Q174 | N158-S160 PolarHBondContact O-N 2.88Å; N158-S160 PolarHBondContact O-OG 3.09Å; N158-S160 VanDerWaalsContact O-OG 3.08Å; S160-C173 CarbonylContact O-C 3.57Å; S160-C173 WeakPolarHBondContact O-CA 3.39Å; S160-Q174 PolarHBondContact N-O 2.99Å; S160-Q174 PolarHBondContact O-N 3.09Å; S160-Q174 WeakPolarHBondContact OG-CG 3.37Å |
| 161 | C | 94.4 | Very high | 91.5 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 12% | 0.122 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140.1 | -178.5 | -58.4 | 0 | 0 | 0 | 0 | 111 | L171 S172 C173 L242 L244 | C161-L171 HydrophobicContact CB-CD1 3.73Å; C161-L171 HydrophobicContact CB-CG 4.27Å; C161-S172 WeakPolarHBondContact CA-O 3.5Å; C161-C173 HydrophobicContact CB-CB 4.11Å; C161-C173 WeakPolarHBondContact CB-SG 3.2Å; C161-C173 WeakPolarHBondContact SG-CB 3.46Å; C161-C173 CovalentContact SG-SG 2.04Å; C161-C173 PolarHBondContact SG-SG 2.88Å; C161-L242 HydrophobicContact CB-CD2 4.27Å; C161-L244 HydrophobicContact CB-CD2 4.12Å |
| 162 | L | 94.6 | Very high | 91.7 | Very high | 74 Ų | 74 | 46.5 Ų | 46.5 | 39% | 0.387 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 122.4 | 179 | -168.6 | 80.6 | 0 | 0 | 0 | 109.5 | S172 S249 K251 P339 | L162-S172 PolarHBondContact N-O 2.73Å; L162-S172 PolarHBondContact O-N 3.3Å; L162-S249 WeakPolarHBondContact CD1-O 3.2Å; L162-K251 HydrophobicContact CD1-CB 4.24Å; L162-K251 HydrophobicContact CD2-CB 4.21Å; L162-K251 HydrophobicContact CG-CB 4.34Å; L162-P339 HydrophobicContact CD1-CG 3.96Å |
| 163 | T | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 126.5 | 175.1 | -55.1 | 0 | 0 | 0 | 0 | 110.1 | L165 L171 F218 L220 P246 S249 A250 K251 | T163-L165 HydrophobicContact CG2-CD2 3.91Å; T163-L171 WeakPolarHBondContact OG1-CD1 3.48Å; T163-F218 HydrophobicContact CG2-CE2 4.19Å; T163-L220 HydrophobicContact CG2-CD2 3.97Å; T163-P246 WeakPolarHBondContact CB-O 3.22Å; T163-P246 WeakPolarHBondContact OG1-CB 3.4Å; T163-P246 PolarHBondContact OG1-O 3.14Å; T163-S249 PolarHBondContact N-O 2.64Å; T163-S249 VanDerWaalsContact N-O 3.1Å; T163-S249 PolarHBondContact OG1-OG 2.9Å; T163-A250 HydrophobicContact CG2-CB 4.38Å; T163-A250 WeakPolarHBondContact O-CA 3.26Å; T163-K251 PolarHBondContact O-N 3.14Å |
| 164 | N | 91.9 | Very high | 92 | Very high | 57 Ų | 57 | 47.5 Ų | 47.5 | 31% | 0.305 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122.2 | 168.3 | -172.2 | -15 | 0 | 0 | 0 | 109.4 | T166 E169 T170 | N164-T166 WeakPolarHBondContact OD1-CB 3.39Å; N164-T166 PolarHBondContact OD1-N 2.89Å; N164-T166 PolarHBondContact OD1-OG1 2.84Å; N164-E169 WeakPolarHBondContact O-CA 3.43Å; N164-T170 PolarHBondContact N-O 2.91Å; N164-T170 PolarHBondContact O-N 3.29Å |
| 165 | L | 89.7 | Confident | 92.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -94.8 | 0.1 | 179.9 | -60.4 | 177.4 | 0 | 0 | 0 | 113.7 | T163 L220 M247 A250 F252 Q280 | T163-L165 HydrophobicContact CG2-CD2 3.91Å; L165-L220 HydrophobicContact CD2-CD2 3.98Å; L165-M247 HydrophobicContact CD1-CE 4.24Å; L165-M247 HydrophobicContact CD1-SD 4.16Å; L165-M247 HydrophobicContact CD2-CE 4.14Å; L165-A250 HydrophobicContact CD1-CB 3.8Å; L165-A250 HydrophobicContact CD2-CB 4.33Å; L165-A250 HydrophobicContact CG-CB 3.96Å; L165-F252 HydrophobicContact CD1-CD1 4.24Å; L165-F252 HydrophobicContact CD1-CD2 4.37Å; L165-F252 HydrophobicContact CD1-CE1 3.83Å; L165-F252 HydrophobicContact CD1-CE2 3.94Å; L165-F252 HydrophobicContact CD1-CG 4.49Å; L165-F252 HydrophobicContact CD1-CZ 3.65Å; L165-Q280 HydrophobicContact CB-CG 3.88Å | ||
| 166 | T | 86.3 | Confident | 92.2 | Very high | 51 Ų | 51 | 47.1 Ų | 47.1 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -68.2 | 137 | 164.3 | -42.2 | 0 | 0 | 0 | 0 | 108.8 | N164 P168 E169 D253 | N164-T166 WeakPolarHBondContact OD1-CB 3.39Å; N164-T166 PolarHBondContact OD1-N 2.89Å; N164-T166 PolarHBondContact OD1-OG1 2.84Å; T166-P168 CarbonylContact O-C 3.49Å; T166-P168 VanDerWaalsContact O-O 3.08Å; T166-E169 PolarHBondContact O-N 3.38Å; T166-D253 PolarHBondContact OG1-OD1 2.95Å; T166-D253 VanDerWaalsContact OG1-OD1 3.13Å |
| 167 | K | 82 | Confident | 92 | Very high | 119 Ų | 119 | 48.7 Ų | 48.7 | 52% | 0.517 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -77.9 | 134.9 | -174.7 | -67.9 | -177.4 | 178.9 | -174.7 | 0 | 111.9 | Q279 | K167-Q279 HydrophobicContact CD-CB 4.36Å; K167-Q279 HydrophobicContact CG-CB 4.27Å |
| 168 | P | 85.9 | Confident | 91.7 | Very high | 106 Ų | 106 | 44.6 Ų | 44.6 | 69% | 0.688 | 26% | 0.255 | S | S | * | . | S | Bend | cis | -73 | 132.1 | -2.2 | 30.5 | -34.8 | 0 | 0 | 0 | 112.6 | T166 T170 | T166-P168 CarbonylContact O-C 3.49Å; T166-P168 VanDerWaalsContact O-O 3.08Å; P168-T170 PolarHBondContact O-N 2.9Å |
| 169 | E | 88.6 | Confident | 91.3 | Very high | 25 Ų | 25 | 45.3 Ų | 45.3 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 129.1 | 178 | -70.2 | 157.3 | -148.9 | 0 | 0 | 110.2 | N164 T166 R215 | N164-E169 WeakPolarHBondContact O-CA 3.43Å; T166-E169 PolarHBondContact O-N 3.38Å; E169-R215 HydrophobicContact CB-CB 4.28Å; E169-R215 HydrophobicContact CB-CG 4.05Å; E169-R215 WeakPolarHBondContact O-CB 3.41Å; E169-R215 PolarHBondContact O-N 2.98Å; E169-R215 VanDerWaalsContact OE2-CD 3.31Å; E169-R215 WeakPolarHBondContact OE2-CD 3.36Å; E169-R215 IonicContact OE2-CZ 3.39Å; E169-R215 IonicContact OE2-NE 2.74Å; E169-R215 PolarHBondContact OE2-NE 2.91Å |
| 170 | T | 93.6 | Very high | 90.8 | Very high | 22 Ų | 22 | 49.5 Ų | 49.5 | 14% | 0.135 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 133.7 | -174.4 | 39.4 | 0 | 0 | 0 | 0 | 112.2 | N164 P168 I213 | N164-T170 PolarHBondContact N-O 2.91Å; N164-T170 PolarHBondContact O-N 3.29Å; P168-T170 PolarHBondContact O-N 2.9Å; T170-I213 WeakPolarHBondContact CA-O 3.41Å |
| 171 | L | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 108.1 | 173 | 178.6 | 60.3 | 0 | 0 | 0 | 108.3 | C161 T163 I213 F218 I224 I226 L244 P246 | C161-L171 HydrophobicContact CB-CD1 3.73Å; C161-L171 HydrophobicContact CB-CG 4.27Å; T163-L171 WeakPolarHBondContact OG1-CD1 3.48Å; L171-I213 HydrophobicContact CB-CB 4.21Å; L171-I213 HydrophobicContact CB-CD1 4.25Å; L171-I213 HydrophobicContact CD2-CD1 3.85Å; L171-I213 HydrophobicContact CG-CD1 4.01Å; L171-I213 PolarHBondContact N-O 2.98Å; L171-I213 VanDerWaalsContact N-O 3.15Å; L171-I213 PolarHBondContact O-N 2.79Å; L171-F218 HydrophobicContact CB-CD1 3.88Å; L171-F218 HydrophobicContact CB-CD2 4.43Å; L171-F218 HydrophobicContact CB-CE1 3.78Å; L171-F218 HydrophobicContact CB-CE2 4.34Å; L171-F218 HydrophobicContact CB-CG 4.21Å; L171-F218 HydrophobicContact CB-CZ 4.03Å; L171-F218 HydrophobicContact CD2-CB 4.37Å; L171-F218 HydrophobicContact CD2-CG 4.35Å; L171-I224 HydrophobicContact CD2-CG2 4.35Å; L171-I226 HydrophobicContact CD2-CD1 3.67Å; L171-L244 HydrophobicContact CD1-CD1 4.32Å; L171-P246 HydrophobicContact CD2-CG 4.3Å |
| 172 | S | 94.6 | Very high | 90.1 | Very high | 27 Ų | 27 | 51.2 Ų | 51.2 | 19% | 0.189 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 106.3 | -175.5 | -61.3 | 0 | 0 | 0 | 0 | 109.8 | C161 L162 Y211 | C161-S172 WeakPolarHBondContact CA-O 3.5Å; L162-S172 PolarHBondContact N-O 2.73Å; L162-S172 PolarHBondContact O-N 3.3Å; S172-Y211 CarbonylContact C-O 3.51Å; S172-Y211 WeakPolarHBondContact CA-O 3.22Å |
| 173 | C | 95.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 138.4 | -179.6 | -65.6 | 0 | 0 | 0 | 0 | 111.4 | S160 C161 R210 Y211 | S160-C173 CarbonylContact O-C 3.57Å; S160-C173 WeakPolarHBondContact O-CA 3.39Å; C161-C173 HydrophobicContact CB-CB 4.11Å; C161-C173 WeakPolarHBondContact CB-SG 3.2Å; C161-C173 WeakPolarHBondContact SG-CB 3.46Å; C161-C173 CovalentContact SG-SG 2.04Å; C161-C173 PolarHBondContact SG-SG 2.88Å; C173-R210 CarbonylContact O-C 3.57Å; C173-R210 VanDerWaalsContact O-CA 3.28Å; C173-R210 WeakPolarHBondContact O-CA 3.33Å; C173-R210 WeakPolarHBondContact O-CG 3.1Å; C173-Y211 PolarHBondContact N-O 3.36Å; C173-Y211 PolarHBondContact O-N 3.41Å |
| 174 | Q | 95.2 | Very high | 89.4 | Confident | 100 Ų | 100 | 52.6 Ų | 52.6 | 47% | 0.467 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 155.2 | 176.8 | 65.1 | -177.6 | 29.7 | 0 | 0 | 110.5 | L159 S160 H209 R210 | L159-Q174 WeakPolarHBondContact CA-O 3.49Å; S160-Q174 PolarHBondContact N-O 2.99Å; S160-Q174 PolarHBondContact O-N 3.09Å; S160-Q174 WeakPolarHBondContact OG-CG 3.37Å; Q174-H209 WeakPolarHBondContact CA-O 3.38Å; Q174-R210 HydrophobicContact CB-CB 4.17Å; Q174-R210 HydrophobicContact CB-CG 4.03Å |
| 175 | W | 94.8 | Very high | 89.3 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 156.2 | 178.4 | 57.4 | 89 | 0 | 0 | 0 | 110.6 | P156 L159 Y187 L189 L204 H209 V228 | P156-W175 HydrophobicContact CB-CB 4.48Å; P156-W175 HydrophobicContact CB-CG 4.29Å; L159-W175 HydrophobicContact CB-CB 4.42Å; L159-W175 HydrophobicContact CD1-CB 4.21Å; L159-W175 HydrophobicContact CD1-CE3 4.05Å; W175-Y187 HydrophobicContact CZ2-CD1 4.42Å; W175-Y187 HydrophobicContact CZ2-CG 4.34Å; W175-Y187 AromaticContact NE1-CD1 3.52Å; W175-Y187 AromaticContact NE1-CE1 3.86Å; W175-L189 HydrophobicContact CZ3-CD1 4.19Å; W175-L204 HydrophobicContact CH2-CD1 3.76Å; W175-L204 HydrophobicContact CH2-CD2 3.55Å; W175-L204 HydrophobicContact CH2-CG 4.32Å; W175-L204 HydrophobicContact CZ2-CD1 4.21Å; W175-L204 HydrophobicContact CZ2-CD2 3.89Å; W175-H209 PolarHBondContact N-O 2.98Å; W175-V228 HydrophobicContact CD2-CB 4.47Å; W175-V228 HydrophobicContact CD2-CG1 4.19Å; W175-V228 HydrophobicContact CD2-CG2 3.66Å; W175-V228 HydrophobicContact CE3-CG2 3.59Å; W175-V228 HydrophobicContact CG-CG2 4.16Å; W175-V228 HydrophobicContact CH2-CG2 4.31Å; W175-V228 HydrophobicContact CZ2-CG1 3.98Å; W175-V228 HydrophobicContact CZ2-CG2 4.39Å; W175-V228 HydrophobicContact CZ3-CG2 3.93Å |
| 176 | D | 92.9 | Very high | 89.4 | Confident | 84 Ų | 84 | 54.8 Ų | 54.8 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.2 | 171.7 | -67 | -42.1 | 0 | 0 | 0 | 109.2 | Q157 N158 G178 | Q157-D176 PolarHBondContact N-O 2.92Å; Q157-D176 PolarHBondContact O-N 3.29Å; N158-D176 HydrophobicContact CB-CB 4.32Å; N158-D176 WeakPolarHBondContact CB-OD2 3.47Å; N158-D176 PolarHBondContact ND2-OD2 3.35Å; D176-G178 PolarHBondContact O-N 3.26Å |
| 177 | P | 89.4 | Confident | 89.8 | Confident | 36 Ų | 36 | 53 Ų | 53 | 23% | 0.234 | 29% | 0.289 | C | S | . | . | trans | -70.8 | -15.8 | -176.1 | 28.8 | -36.2 | 0 | 0 | 0 | 113.8 | T154 Y187 | T154-P177 PolarHBondContact OG1-O 3.47Å; P177-Y187 HydrophobicContact CB-CE1 4.45Å; P177-Y187 VanDerWaalsContact CB-OH 3.32Å; P177-Y187 WeakPolarHBondContact CB-OH 3.36Å | ||
| 178 | G | 86.1 | Confident | 90.3 | Very high | 42 Ų | 42 | 48 Ų | 48 | 43% | 0.433 | 27% | 0.268 | S | S | . | . | trans | 88.6 | -140.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D176 | D176-G178 PolarHBondContact O-N 3.26Š| ||
| 179 | Q | 84.7 | Confident | 90.8 | Very high | 125 Ų | 125 | 43 Ų | 43 | 58% | 0.584 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -77.3 | 145.1 | 178.9 | -175 | 177.5 | -17.2 | 0 | 0 | 110.6 | T154 T181 | T154-Q179 PolarHBondContact OG1-N 2.87Å; Q179-T181 PolarHBondContact O-N 2.92Å |
| 180 | D | 84 | Confident | 91 | Very high | 104 Ų | 104 | 45 Ų | 45 | 56% | 0.556 | 24% | 0.242 | S | C | * | . | trans | -61.5 | 128.1 | 169.9 | -176.6 | 15.8 | 0 | 0 | 0 | 110.1 | H182 | D180-H182 VanDerWaalsContact CG-ND1 3.32Å; D180-H182 PolarHBondContact OD1-N 2.88Å; D180-H182 IonicContact OD1-ND1 3.17Å; D180-H182 IonicContact OD2-CE1 2.95Å; D180-H182 PolarHBondContact OD2-CE1 3.28Å; D180-H182 VanDerWaalsContact OD2-CE1 3.3Å; D180-H182 IonicContact OD2-CG 2.75Å; D180-H182 IonicContact OD2-ND1 2.78Å; D180-H182 PolarHBondContact OD2-ND1 3.46Å | ||
| 181 | T | 86.4 | Confident | 90.9 | Very high | 9 Ų | 9 | 44 Ų | 44 | 6% | 0.055 | 24% | 0.236 | C | C | . | . | trans | -85.7 | -13 | 179 | 57.5 | 0 | 0 | 0 | 0 | 112.6 | G150 F151 P153 Q179 L183 T185 | G150-T181 CarbonylContact C-O 3.47Å; G150-T181 WeakPolarHBondContact CA-O 3.47Å; F151-T181 PolarHBondContact N-O 3.38Å; F151-T181 WeakPolarHBondContact O-CB 3.22Å; P153-T181 HydrophobicContact CB-CG2 4.39Å; Q179-T181 PolarHBondContact O-N 2.92Å; T181-L183 PolarHBondContact O-N 3.32Å; T181-L183 VanDerWaalsContact O-N 3.08Å; T181-L183 PolarHBondContact OG1-N 2.82Å; T181-L183 PolarHBondContact OG1-O 2.88Å; T181-L183 VanDerWaalsContact OG1-O 3.09Å; T181-T185 PolarHBondContact OG1-OG1 2.87Å | ||
| 182 | H | 87.6 | Confident | 90.8 | Very high | 87 Ų | 87 | 49.1 Ų | 49.1 | 40% | 0.403 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 57 | 12.5 | -169.1 | -49 | -42 | 0 | 0 | 0 | 114.3 | T125 D180 | T125-H182 HydrophobicContact CG2-CB 3.81Å; T125-H182 VanDerWaalsContact CG2-CD2 3.41Å; T125-H182 WeakPolarHBondContact CG2-CD2 3.27Å; D180-H182 VanDerWaalsContact CG-ND1 3.32Å; D180-H182 PolarHBondContact OD1-N 2.88Å; D180-H182 IonicContact OD1-ND1 3.17Å; D180-H182 IonicContact OD2-CE1 2.95Å; D180-H182 PolarHBondContact OD2-CE1 3.28Å; D180-H182 VanDerWaalsContact OD2-CE1 3.3Å; D180-H182 IonicContact OD2-CG 2.75Å; D180-H182 IonicContact OD2-ND1 2.78Å; D180-H182 PolarHBondContact OD2-ND1 3.46Å |
| 183 | L | 87.1 | Confident | 90.6 | Very high | 14 Ų | 14 | 48.1 Ų | 48.1 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -126.8 | 148.4 | -177.8 | -67.4 | 176.3 | 0 | 0 | 0 | 110.6 | V38 R148 T181 T185 L234 | V38-L183 HydrophobicContact CG1-CD1 3.9Å; V38-L183 HydrophobicContact CG1-CD2 3.72Å; V38-L183 HydrophobicContact CG1-CG 4.5Å; R148-L183 HydrophobicContact CB-CD2 4Å; T181-L183 PolarHBondContact O-N 3.32Å; T181-L183 VanDerWaalsContact O-N 3.08Å; T181-L183 PolarHBondContact OG1-N 2.82Å; T181-L183 PolarHBondContact OG1-O 2.88Å; T181-L183 VanDerWaalsContact OG1-O 3.09Å; L183-T185 PolarHBondContact O-N 2.86Å; L183-T185 PolarHBondContact O-OG1 2.87Å; L183-L234 HydrophobicContact CD1-CD1 3.47Å; L183-L234 VanDerWaalsContact CD1-CD1 3.47Å; L183-L234 HydrophobicContact CD1-CG 3.7Å |
| 184 | P | 87.9 | Confident | 89.9 | Confident | 89 Ų | 89 | 55.1 Ų | 55.1 | 58% | 0.578 | 28% | 0.279 | S | S | * | . | trans | -62.3 | 104.7 | 176.5 | 26.4 | -33.9 | 0 | 0 | 0 | 109.8 | ||||
| 185 | T | 89.9 | Confident | 89.1 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | trans | -104.6 | 122.2 | -178.1 | -60.6 | 0 | 0 | 0 | 0 | 109.2 | P153 T181 L183 Y187 A230 V231 N232 | P153-T185 HydrophobicContact CB-CG2 4.11Å; T181-T185 PolarHBondContact OG1-OG1 2.87Å; L183-T185 PolarHBondContact O-N 2.86Å; L183-T185 PolarHBondContact O-OG1 2.87Å; T185-Y187 HydrophobicContact CG2-CD2 4.49Å; T185-Y187 HydrophobicContact CG2-CE2 3.84Å; T185-A230 HydrophobicContact CG2-CB 4.05Å; T185-V231 CarbonylContact C-O 3.57Å; T185-V231 WeakPolarHBondContact CA-O 3.32Å; T185-N232 HydrophobicContact CG2-CB 4.38Å; T185-N232 WeakPolarHBondContact OG1-CB 3.38Å; T185-N232 PolarHBondContact OG1-ND2 3.13Å | ||
| 186 | Q | 91.8 | Very high | 88.4 | Confident | 92 Ų | 92 | 59.2 Ų | 59.2 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 134.2 | 176.8 | -178.1 | 166.5 | 60 | 0 | 0 | 109.5 | A230 V231 | Q186-A230 CarbonylContact O-C 3.56Å; Q186-A230 WeakPolarHBondContact O-CA 3.43Å; Q186-V231 PolarHBondContact N-O 3.07Å; Q186-V231 PolarHBondContact O-N 2.85Å |
| 187 | Y | 93.2 | Very high | 87.5 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 6% | 0.059 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.5 | 175.6 | -63.9 | -94.9 | 0 | 0 | 0 | 109.5 | P156 W175 P177 T185 L204 H209 V228 K229 A230 | P156-Y187 HydrophobicContact CG-CD1 4.39Å; P156-Y187 HydrophobicContact CG-CE1 4.18Å; W175-Y187 HydrophobicContact CZ2-CD1 4.42Å; W175-Y187 HydrophobicContact CZ2-CG 4.34Å; W175-Y187 AromaticContact NE1-CD1 3.52Å; W175-Y187 AromaticContact NE1-CE1 3.86Å; P177-Y187 HydrophobicContact CB-CE1 4.45Å; P177-Y187 VanDerWaalsContact CB-OH 3.32Å; P177-Y187 WeakPolarHBondContact CB-OH 3.36Å; T185-Y187 HydrophobicContact CG2-CD2 4.49Å; T185-Y187 HydrophobicContact CG2-CE2 3.84Å; Y187-L204 WeakPolarHBondContact O-CB 3.38Å; Y187-L204 WeakPolarHBondContact O-CD1 3.21Å; Y187-L204 PolarHBondContact O-N 2.81Å; Y187-H209 AromaticContact CE2-CE1 3.61Å; Y187-H209 AromaticContact CE2-ND1 3.72Å; Y187-H209 AromaticContact CZ-CE1 3.98Å; Y187-H209 AromaticContact CZ-ND1 3.98Å; Y187-V228 HydrophobicContact CD1-CG1 3.91Å; Y187-K229 WeakPolarHBondContact CA-O 3.44Å; Y187-A230 HydrophobicContact CD1-CB 3.89Å; Y187-A230 HydrophobicContact CE1-CB 3.67Å |
| 188 | T | 93.9 | Very high | 86.9 | Confident | 14 Ų | 14 | 64.7 Ų | 64.7 | 9% | 0.086 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 123.7 | 173.6 | -56.5 | 0 | 0 | 0 | 0 | 108.8 | Y190 Y202 M203 K229 | T188-Y190 HydrophobicContact CG2-CD2 4.11Å; T188-Y190 HydrophobicContact CG2-CE2 3.51Å; T188-Y202 WeakPolarHBondContact CA-O 3.28Å; T188-M203 HydrophobicContact CG2-CG 4.14Å; T188-K229 PolarHBondContact N-O 3.03Å; T188-K229 PolarHBondContact O-N 3.14Å |
| 189 | L | 94.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 130 | 173.7 | -174 | 73.8 | 0 | 0 | 0 | 109.1 | W175 T191 T201 Y202 L204 Y211 I213 I226 V228 | W175-L189 HydrophobicContact CZ3-CD1 4.19Å; L189-T191 HydrophobicContact CD2-CG2 4.49Å; L189-T191 HydrophobicContact CG-CG2 4.41Å; L189-T201 WeakPolarHBondContact O-CA 3.44Å; L189-Y202 HydrophobicContact CD2-CD2 4.28Å; L189-Y202 PolarHBondContact N-O 3.19Å; L189-Y202 PolarHBondContact O-N 2.86Å; L189-L204 HydrophobicContact CB-CD1 4.28Å; L189-Y211 HydrophobicContact CD2-CD1 3.73Å; L189-Y211 HydrophobicContact CD2-CG 4.18Å; L189-I213 HydrophobicContact CD2-CD1 4.05Å; L189-I213 HydrophobicContact CD2-CG1 3.93Å; L189-I226 HydrophobicContact CD1-CG2 3.59Å; L189-I226 HydrophobicContact CG-CG2 4.28Å; L189-V228 HydrophobicContact CD1-CG2 3.62Å |
| 190 | Y | 93.1 | Very high | 87 | Confident | 66 Ų | 66 | 63.2 Ų | 63.2 | 26% | 0.259 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 140.9 | 174.9 | -68.3 | -100.9 | 0 | 0 | 0 | 108.9 | T188 T201 I226 Y227 K229 | T188-Y190 HydrophobicContact CG2-CD2 4.11Å; T188-Y190 HydrophobicContact CG2-CE2 3.51Å; Y190-T201 HydrophobicContact CD1-CG2 3.53Å; Y190-T201 HydrophobicContact CE1-CG2 3.58Å; Y190-T201 HydrophobicContact CG-CG2 4.41Å; Y190-I226 WeakPolarHBondContact O-CA 3.5Å; Y190-Y227 VanDerWaalsContact CB-CE2 3.49Å; Y190-Y227 VanDerWaalsContact CB-CZ 3.4Å; Y190-Y227 HydrophobicContact CD1-CE2 4.19Å; Y190-Y227 HydrophobicContact CD2-CD2 4.05Å; Y190-Y227 AromaticContact CD2-CE2 3.6Å; Y190-Y227 HydrophobicContact CD2-CE2 3.6Å; Y190-Y227 HydrophobicContact CE2-CE2 4.4Å; Y190-Y227 HydrophobicContact CG-CD2 4.18Å; Y190-Y227 AromaticContact CG-CE2 3.49Å; Y190-Y227 HydrophobicContact CG-CE2 3.49Å; Y190-Y227 VanDerWaalsContact CG-CE2 3.49Å; Y190-Y227 AromaticContact CG-CZ 3.69Å; Y190-Y227 PolarHBondContact N-O 2.88Å; Y190-Y227 PolarHBondContact O-N 2.82Å; Y190-Y227 VanDerWaalsContact O-N 3.11Å; Y190-K229 HydrophobicContact CD2-CB 4.25Å; Y190-K229 HydrophobicContact CE2-CB 3.72Å; Y190-K229 HydrophobicContact CE2-CD 4.22Å |
| 191 | T | 93.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 128.4 | 177.9 | 63.1 | 0 | 0 | 0 | 0 | 110.5 | L189 S199 N200 Y202 I213 E225 I226 | L189-T191 HydrophobicContact CD2-CG2 4.49Å; L189-T191 HydrophobicContact CG-CG2 4.41Å; T191-S199 WeakPolarHBondContact O-CA 3.4Å; T191-N200 PolarHBondContact N-O 2.97Å; T191-N200 PolarHBondContact O-N 2.88Å; T191-N200 WeakPolarHBondContact OG1-CB 3.37Å; T191-N200 PolarHBondContact OG1-O 3.15Å; T191-Y202 HydrophobicContact CG2-CE2 4.15Å; T191-I213 HydrophobicContact CG2-CD1 3.76Å; T191-I213 HydrophobicContact CG2-CG1 4.49Å; T191-E225 WeakPolarHBondContact CA-O 3.43Å; T191-I226 HydrophobicContact CG2-CD1 4.28Å; T191-I226 HydrophobicContact CG2-CG1 4.06Å; T191-I226 HydrophobicContact CG2-CG2 4.23Å |
| 192 | E | 91.6 | Very high | 87.7 | Confident | 108 Ų | 108 | 63.2 Ų | 63.2 | 51% | 0.505 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.4 | -178.7 | -173.7 | 168.2 | 173.4 | 0 | 0 | 109.6 | I224 E225 | E192-I224 WeakPolarHBondContact O-CA 3.43Å; E192-I224 WeakPolarHBondContact O-CG1 3.47Å; E192-E225 PolarHBondContact N-O 2.04Å; E192-E225 PolarHBondContact O-N 2.89Å |
| 193 | I | 89.4 | Confident | 87.9 | Confident | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.8 | -173.8 | -59.1 | 170.9 | 0 | 0 | 0 | 108.5 | D195 L196 V219 I224 | I193-D195 VanDerWaalsContact C-N 3.26Å; I193-D195 PolarHBondContact O-N 2.95Å; I193-D195 VanDerWaalsContact O-N 3.16Å; I193-L196 HydrophobicContact CB-CB 4.26Å; I193-L196 HydrophobicContact CG2-CB 4.21Å; I193-L196 HydrophobicContact CG2-CD1 4.37Å; I193-L196 PolarHBondContact O-N 2.83Å; I193-L196 VanDerWaalsContact O-N 3.14Å; I193-V219 HydrophobicContact CD1-CG2 4.46Å; I193-I224 HydrophobicContact CG1-CD1 3.9Å; I193-I224 HydrophobicContact CG1-CG1 3.94Å |
| 194 | R | 82.1 | Confident | 88.1 | Confident | 147 Ų | 147 | 64.7 Ų | 64.7 | 56% | 0.555 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -31.4 | -171.4 | -81.1 | -174.6 | 163.6 | -171.8 | -4.5 | 115 | E223 | R194-E223 HydrophobicContact CB-CB 4.48Å; R194-E223 WeakPolarHBondContact CD-OE2 3.4Å; R194-E223 HydrophobicContact CG-CB 4.35Å; R194-E223 IonicContact CZ-OE2 3.86Å; R194-E223 PolarHBondContact N-O 2.86Å; R194-E223 IonicContact NE-OE2 3.3Å; R194-E223 IonicContact NH1-OE2 3.9Å; R194-E223 PolarHBondContact NH1-OE2 3.04Å |
| 195 | D | 77.8 | Confident | 88 | Confident | 123 Ų | 123 | 64.5 Ų | 64.5 | 66% | 0.658 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -1.4 | -178.1 | -58.5 | -56.9 | 0 | 0 | 0 | 114.1 | I193 S222 | I193-D195 VanDerWaalsContact C-N 3.26Å; I193-D195 PolarHBondContact O-N 2.95Å; I193-D195 VanDerWaalsContact O-N 3.16Å; D195-S222 WeakPolarHBondContact OD2-CB 3.43Å; D195-S222 PolarHBondContact OD2-OG 2.82Å |
| 196 | L | 78.8 | Confident | 87.6 | Confident | 70 Ų | 70 | 69 Ų | 69 | 37% | 0.366 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 134.4 | -173.5 | -72 | 170.8 | 0 | 0 | 0 | 111.9 | I193 E198 V219 | I193-L196 HydrophobicContact CB-CB 4.26Å; I193-L196 HydrophobicContact CG2-CB 4.21Å; I193-L196 HydrophobicContact CG2-CD1 4.37Å; I193-L196 PolarHBondContact O-N 2.83Å; I193-L196 VanDerWaalsContact O-N 3.14Å; L196-E198 HydrophobicContact CB-CB 4.41Å; L196-E198 HydrophobicContact CB-CG 4.45Å; L196-E198 PolarHBondContact O-N 3.45Å; L196-V219 HydrophobicContact CD1-CG2 4.08Å |
| 197 | P | 74.4 | Confident | 87.1 | Confident | 134 Ų | 134 | 67.5 Ų | 67.5 | 87% | 0.87 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 28.6 | 175.5 | 34.1 | -37.3 | 0 | 0 | 0 | 113.4 | ||
| 198 | E | 76.9 | Confident | 86.8 | Confident | 102 Ų | 102 | 69.4 Ų | 69.4 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 97.7 | 179.5 | -66.8 | -172 | 169.1 | 0 | 0 | 109.9 | L196 | L196-E198 HydrophobicContact CB-CB 4.41Å; L196-E198 HydrophobicContact CB-CG 4.45Å; L196-E198 PolarHBondContact O-N 3.45Å |
| 199 | S | 85.9 | Confident | 86.7 | Confident | 87 Ų | 87 | 71.7 Ų | 71.7 | 61% | 0.608 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 127.9 | 165.7 | 53.1 | 0 | 0 | 0 | 0 | 110 | T191 | T191-S199 WeakPolarHBondContact O-CA 3.4Å |
| 200 | N | 88.3 | Confident | 86.7 | Confident | 49 Ų | 49 | 79.3 Ų | 79.3 | 26% | 0.262 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 147 | 175 | -70.6 | -88.2 | 0 | 0 | 0 | 110.2 | T191 Y202 | T191-N200 PolarHBondContact N-O 2.97Å; T191-N200 PolarHBondContact O-N 2.88Å; T191-N200 WeakPolarHBondContact OG1-CB 3.37Å; T191-N200 PolarHBondContact OG1-O 3.15Å; N200-Y202 HydrophobicContact CB-CE2 3.77Å; N200-Y202 WeakPolarHBondContact CB-OH 3.42Å |
| 201 | T | 91.9 | Very high | 86.7 | Confident | 86 Ų | 86 | 79.3 Ų | 79.3 | 53% | 0.528 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 134.3 | 178.8 | 64.4 | 0 | 0 | 0 | 0 | 110.4 | L189 Y190 | L189-T201 WeakPolarHBondContact O-CA 3.44Å; Y190-T201 HydrophobicContact CD1-CG2 3.53Å; Y190-T201 HydrophobicContact CE1-CG2 3.58Å; Y190-T201 HydrophobicContact CG-CG2 4.41Å |
| 202 | Y | 92.6 | Very high | 86.7 | Confident | 27 Ų | 27 | 85 Ų | 85 | 11% | 0.106 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 109.7 | -175.4 | -51.6 | -77.2 | 0 | 0 | 0 | 109.7 | T188 L189 T191 N200 Y211 I213 G217 | T188-Y202 WeakPolarHBondContact CA-O 3.28Å; L189-Y202 HydrophobicContact CD2-CD2 4.28Å; L189-Y202 PolarHBondContact N-O 3.19Å; L189-Y202 PolarHBondContact O-N 2.86Å; T191-Y202 HydrophobicContact CG2-CE2 4.15Å; N200-Y202 HydrophobicContact CB-CE2 3.77Å; N200-Y202 WeakPolarHBondContact CB-OH 3.42Å; Y202-Y211 AromaticContact CD1-CE1 3.58Å; Y202-Y211 HydrophobicContact CD1-CE1 3.58Å; Y202-Y211 AromaticContact CD1-CZ 3.67Å; Y202-Y211 WeakPolarHBondContact CD1-OH 3.43Å; Y202-Y211 HydrophobicContact CD2-CD1 4.32Å; Y202-Y211 AromaticContact CD2-CE1 3.84Å; Y202-Y211 HydrophobicContact CD2-CE1 3.84Å; Y202-Y211 HydrophobicContact CE1-CE1 4.16Å; Y202-Y211 HydrophobicContact CE2-CE1 4.41Å; Y202-Y211 HydrophobicContact CG-CD1 4.14Å; Y202-Y211 AromaticContact CG-CE1 3.37Å; Y202-Y211 HydrophobicContact CG-CE1 3.37Å; Y202-Y211 AromaticContact CG-CZ 3.74Å; Y202-I213 HydrophobicContact CE2-CG1 4.26Å; Y202-I213 HydrophobicContact CE2-CG2 4.04Å; Y202-G217 WeakPolarHBondContact OH-CA 3.36Å |
| 203 | M | 91.6 | Very high | 86.8 | Confident | 125 Ų | 125 | 79.9 Ų | 79.9 | 62% | 0.616 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 129.5 | 175.4 | -67.6 | 169.5 | 62.7 | 0 | 0 | 110.1 | T188 | T188-M203 HydrophobicContact CG2-CG 4.14Å |
| 204 | L | 90.9 | Very high | 86.9 | Confident | 7 Ų | 7 | 82 Ų | 82 | 4% | 0.037 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 151.2 | 179.7 | -73.4 | 91.2 | 0 | 0 | 0 | 112.5 | W175 Y187 L189 V208 Y211 | W175-L204 HydrophobicContact CH2-CD1 3.76Å; W175-L204 HydrophobicContact CH2-CD2 3.55Å; W175-L204 HydrophobicContact CH2-CG 4.32Å; W175-L204 HydrophobicContact CZ2-CD1 4.21Å; W175-L204 HydrophobicContact CZ2-CD2 3.89Å; Y187-L204 WeakPolarHBondContact O-CB 3.38Å; Y187-L204 WeakPolarHBondContact O-CD1 3.21Å; Y187-L204 PolarHBondContact O-N 2.81Å; L189-L204 HydrophobicContact CB-CD1 4.28Å; L204-V208 HydrophobicContact CD2-CB 4.09Å; L204-V208 HydrophobicContact CD2-CG1 3.85Å; L204-V208 WeakPolarHBondContact CD2-O 3.39Å; L204-Y211 HydrophobicContact CD1-CD2 4.42Å; L204-Y211 HydrophobicContact CD2-CD2 4.26Å; L204-Y211 HydrophobicContact CG-CD2 4.1Å |
| 205 | P | 87 | Confident | 87.3 | Confident | 84 Ų | 84 | 79.6 Ų | 79.6 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 154.1 | 165.2 | -18.7 | 31.7 | 0 | 0 | 0 | 112 | V208 | P205-V208 HydrophobicContact CB-CG2 3.98Å; P205-V208 HydrophobicContact CG-CG2 4.28Å; P205-V208 PolarHBondContact O-N 3.35Å |
| 206 | P | 80.8 | Confident | 87.7 | Confident | 106 Ų | 106 | 79.5 Ų | 79.5 | 69% | 0.688 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 140.2 | 175.6 | -24.5 | 34.5 | 0 | 0 | 0 | 112.4 | V208 | P206-V208 VanDerWaalsContact C-N 3.27Å; P206-V208 PolarHBondContact O-N 2.86Å |
| 207 | G | 80.4 | Confident | 88.1 | Confident | 59 Ų | 59 | 76.2 Ų | 76.2 | 61% | 0.608 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 208 | V | 88.4 | Confident | 88.9 | Confident | 56 Ų | 56 | 70 Ų | 70 | 34% | 0.339 | 38% | 0.378 | S | S | . | . | trans | -100.9 | 120.4 | 175.3 | -170.3 | 0 | 0 | 0 | 0 | 110 | L204 P205 P206 R210 | L204-V208 HydrophobicContact CD2-CB 4.09Å; L204-V208 HydrophobicContact CD2-CG1 3.85Å; L204-V208 WeakPolarHBondContact CD2-O 3.39Å; P205-V208 HydrophobicContact CB-CG2 3.98Å; P205-V208 HydrophobicContact CG-CG2 4.28Å; P205-V208 PolarHBondContact O-N 3.35Å; P206-V208 VanDerWaalsContact C-N 3.27Å; P206-V208 PolarHBondContact O-N 2.86Å; V208-R210 WeakPolarHBondContact CG1-O 3.39Å | ||
| 209 | H | 91.3 | Very high | 89.5 | Confident | 61 Ų | 61 | 67.6 Ų | 67.6 | 28% | 0.282 | 37% | 0.371 | S | S | . | . | trans | -117.2 | 21.9 | -177.3 | -46.8 | -50.4 | 0 | 0 | 0 | 112.9 | Q174 W175 Y187 | Q174-H209 WeakPolarHBondContact CA-O 3.38Å; W175-H209 PolarHBondContact N-O 2.98Å; Y187-H209 AromaticContact CE2-CE1 3.61Å; Y187-H209 AromaticContact CE2-ND1 3.72Å; Y187-H209 AromaticContact CZ-CE1 3.98Å; Y187-H209 AromaticContact CZ-ND1 3.98Å | ||
| 210 | R | 93.5 | Very high | 89.7 | Confident | 161 Ų | 161 | 63.8 Ų | 63.8 | 61% | 0.608 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 131.2 | 178.5 | -178.5 | 174.6 | 66.4 | -178.1 | -2 | 110.3 | C173 Q174 V208 | C173-R210 CarbonylContact O-C 3.57Å; C173-R210 VanDerWaalsContact O-CA 3.28Å; C173-R210 WeakPolarHBondContact O-CA 3.33Å; C173-R210 WeakPolarHBondContact O-CG 3.1Å; Q174-R210 HydrophobicContact CB-CB 4.17Å; Q174-R210 HydrophobicContact CB-CG 4.03Å; V208-R210 WeakPolarHBondContact CG1-O 3.39Å |
| 211 | Y | 94.1 | Very high | 89.7 | Confident | 65 Ų | 65 | 66.3 Ų | 66.3 | 26% | 0.255 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 158.3 | 178.5 | -163.4 | -110.4 | 0 | 0 | 0 | 111.9 | S172 C173 L189 Y202 L204 I213 | S172-Y211 CarbonylContact C-O 3.51Å; S172-Y211 WeakPolarHBondContact CA-O 3.22Å; C173-Y211 PolarHBondContact N-O 3.36Å; C173-Y211 PolarHBondContact O-N 3.41Å; L189-Y211 HydrophobicContact CD2-CD1 3.73Å; L189-Y211 HydrophobicContact CD2-CG 4.18Å; Y202-Y211 AromaticContact CD1-CE1 3.58Å; Y202-Y211 HydrophobicContact CD1-CE1 3.58Å; Y202-Y211 AromaticContact CD1-CZ 3.67Å; Y202-Y211 WeakPolarHBondContact CD1-OH 3.43Å; Y202-Y211 HydrophobicContact CD2-CD1 4.32Å; Y202-Y211 AromaticContact CD2-CE1 3.84Å; Y202-Y211 HydrophobicContact CD2-CE1 3.84Å; Y202-Y211 HydrophobicContact CE1-CE1 4.16Å; Y202-Y211 HydrophobicContact CE2-CE1 4.41Å; Y202-Y211 HydrophobicContact CG-CD1 4.14Å; Y202-Y211 AromaticContact CG-CE1 3.37Å; Y202-Y211 HydrophobicContact CG-CE1 3.37Å; Y202-Y211 AromaticContact CG-CZ 3.74Å; L204-Y211 HydrophobicContact CD1-CD2 4.42Å; L204-Y211 HydrophobicContact CD2-CD2 4.26Å; L204-Y211 HydrophobicContact CG-CD2 4.1Å; Y211-I213 HydrophobicContact CD1-CG1 3.93Å; Y211-I213 HydrophobicContact CE1-CG1 4.28Å |
| 212 | K | 93.7 | Very high | 89.7 | Confident | 122 Ų | 122 | 62.7 Ų | 62.7 | 53% | 0.53 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 104.4 | 170.6 | -69.2 | -169 | 174 | -174.5 | 0 | 109 | ||
| 213 | I | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 126.1 | 175.3 | -54.3 | 159.8 | 0 | 0 | 0 | 107.5 | T170 L171 L189 T191 Y202 Y211 F218 I226 | T170-I213 WeakPolarHBondContact CA-O 3.41Å; L171-I213 HydrophobicContact CB-CB 4.21Å; L171-I213 HydrophobicContact CB-CD1 4.25Å; L171-I213 HydrophobicContact CD2-CD1 3.85Å; L171-I213 HydrophobicContact CG-CD1 4.01Å; L171-I213 PolarHBondContact N-O 2.98Å; L171-I213 VanDerWaalsContact N-O 3.15Å; L171-I213 PolarHBondContact O-N 2.79Å; L189-I213 HydrophobicContact CD2-CD1 4.05Å; L189-I213 HydrophobicContact CD2-CG1 3.93Å; T191-I213 HydrophobicContact CG2-CD1 3.76Å; T191-I213 HydrophobicContact CG2-CG1 4.49Å; Y202-I213 HydrophobicContact CE2-CG1 4.26Å; Y202-I213 HydrophobicContact CE2-CG2 4.04Å; Y211-I213 HydrophobicContact CD1-CG1 3.93Å; Y211-I213 HydrophobicContact CE1-CG1 4.28Å; I213-F218 HydrophobicContact CB-CD1 4.38Å; I213-F218 HydrophobicContact CG2-CD1 3.94Å; I213-I226 HydrophobicContact CD1-CD1 4.01Å |
| 214 | P | 92.3 | Very high | 89.7 | Confident | 51 Ų | 51 | 59.4 Ų | 59.4 | 33% | 0.331 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 161 | 177.2 | 31.3 | -35.9 | 0 | 0 | 0 | 111 | T216 G217 F218 | P214-T216 PolarHBondContact O-N 2.85Å; P214-G217 PolarHBondContact O-N 3.04Å; P214-F218 WeakPolarHBondContact O-CD1 3.36Å; P214-F218 WeakPolarHBondContact O-CE1 3.38Å |
| 215 | R | 89 | Confident | 89.8 | Confident | 97 Ų | 97 | 62 Ų | 62 | 37% | 0.366 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -56.9 | -21.1 | -176.4 | -171.8 | 47.7 | -179.5 | 85.6 | 3.1 | 115.7 | E169 G217 F218 | E169-R215 HydrophobicContact CB-CB 4.28Å; E169-R215 HydrophobicContact CB-CG 4.05Å; E169-R215 WeakPolarHBondContact O-CB 3.41Å; E169-R215 PolarHBondContact O-N 2.98Å; E169-R215 VanDerWaalsContact OE2-CD 3.31Å; E169-R215 WeakPolarHBondContact OE2-CD 3.36Å; E169-R215 IonicContact OE2-CZ 3.39Å; E169-R215 IonicContact OE2-NE 2.74Å; E169-R215 PolarHBondContact OE2-NE 2.91Å; R215-G217 VanDerWaalsContact C-N 3.3Å; R215-F218 PolarHBondContact NH1-O 3.05Å |
| 216 | T | 87.2 | Confident | 90.2 | Very high | 121 Ų | 121 | 58 Ų | 58 | 74% | 0.742 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -75.9 | -14.8 | 174.8 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | P214 | P214-T216 PolarHBondContact O-N 2.85Š|
| 217 | G | 86.9 | Confident | 90.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -98.9 | 6.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y202 P214 R215 | Y202-G217 WeakPolarHBondContact OH-CA 3.36Å; P214-G217 PolarHBondContact O-N 3.04Å; R215-G217 VanDerWaalsContact C-N 3.3Å |
| 218 | F | 90.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 1% | 0.013 | 25% | 0.25 | C | S | . | . | trans | -157.1 | 157.2 | 177.2 | 66.5 | -83 | 0 | 0 | 0 | 112 | T163 L171 I213 P214 R215 L220 I224 P246 | T163-F218 HydrophobicContact CG2-CE2 4.19Å; L171-F218 HydrophobicContact CB-CD1 3.88Å; L171-F218 HydrophobicContact CB-CD2 4.43Å; L171-F218 HydrophobicContact CB-CE1 3.78Å; L171-F218 HydrophobicContact CB-CE2 4.34Å; L171-F218 HydrophobicContact CB-CG 4.21Å; L171-F218 HydrophobicContact CB-CZ 4.03Å; L171-F218 HydrophobicContact CD2-CB 4.37Å; L171-F218 HydrophobicContact CD2-CG 4.35Å; I213-F218 HydrophobicContact CB-CD1 4.38Å; I213-F218 HydrophobicContact CG2-CD1 3.94Å; P214-F218 WeakPolarHBondContact O-CD1 3.36Å; P214-F218 WeakPolarHBondContact O-CE1 3.38Å; R215-F218 PolarHBondContact NH1-O 3.05Å; F218-L220 HydrophobicContact CD2-CD2 4.43Å; F218-L220 HydrophobicContact CE2-CD2 3.79Å; F218-L220 HydrophobicContact CE2-CG 4.44Å; F218-I224 HydrophobicContact CB-CD1 3.75Å; F218-P246 HydrophobicContact CB-CG 4.43Å; F218-P246 HydrophobicContact CD2-CB 3.8Å; F218-P246 HydrophobicContact CD2-CG 3.98Å; F218-P246 HydrophobicContact CE2-CB 4.2Å | ||
| 219 | V | 89.8 | Confident | 91.8 | Very high | 53 Ų | 53 | 52.8 Ų | 52.8 | 32% | 0.321 | 24% | 0.244 | S | C | . | . | trans | -111.1 | 141.2 | 172.7 | 174.2 | 0 | 0 | 0 | 0 | 108.7 | I193 L196 P246 | I193-V219 HydrophobicContact CD1-CG2 4.46Å; L196-V219 HydrophobicContact CD1-CG2 4.08Å; V219-P246 WeakPolarHBondContact O-CD 3.33Å; V219-P246 VanDerWaalsContact O-CG 3.26Å; V219-P246 WeakPolarHBondContact O-CG 3.25Å | ||
| 220 | L | 89.6 | Confident | 91.9 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -30.7 | -172.2 | -74.6 | 171.1 | 0 | 0 | 0 | 114.7 | T163 L165 F218 E245 P246 M247 W282 | T163-L220 HydrophobicContact CG2-CD2 3.97Å; L165-L220 HydrophobicContact CD2-CD2 3.98Å; F218-L220 HydrophobicContact CD2-CD2 4.43Å; F218-L220 HydrophobicContact CE2-CD2 3.79Å; F218-L220 HydrophobicContact CE2-CG 4.44Å; L220-E245 VanDerWaalsContact O-CG 3.25Å; L220-E245 WeakPolarHBondContact O-CG 3.08Å; L220-P246 HydrophobicContact CD2-CB 4.36Å; L220-M247 HydrophobicContact CB-CE 4.38Å; L220-M247 HydrophobicContact CD1-CE 4.21Å; L220-M247 HydrophobicContact CD2-CE 4.31Å; L220-M247 WeakPolarHBondContact O-CB 3.05Å; L220-M247 PolarHBondContact O-N 3.07Å; L220-W282 HydrophobicContact CD1-CH2 3.66Å; L220-W282 HydrophobicContact CD1-CZ2 3.75Å |
| 221 | F | 89.9 | Confident | 91.8 | Very high | 103 Ų | 103 | 44.6 Ų | 44.6 | 45% | 0.452 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 45.9 | -172.8 | -57.1 | -77.5 | 0 | 0 | 0 | 111.2 | E245 M247 W282 | F221-E245 WeakPolarHBondContact CA-OE2 3.34Å; F221-M247 HydrophobicContact CD1-CB 4.07Å; F221-M247 HydrophobicContact CD1-CG 4.28Å; F221-M247 HydrophobicContact CE1-CB 3.95Å; F221-M247 HydrophobicContact CE1-CE 4.18Å; F221-M247 HydrophobicContact CE1-CG 3.69Å; F221-M247 HydrophobicContact CE2-CE 4.49Å; F221-M247 HydrophobicContact CZ-CE 3.84Å; F221-M247 HydrophobicContact CZ-CG 4.31Å; F221-W282 AromaticContact CE2-CH2 3.91Å; F221-W282 HydrophobicContact CE2-CH2 3.91Å; F221-W282 AromaticContact CE2-CZ3 3.76Å; F221-W282 HydrophobicContact CE2-CZ3 3.76Å; F221-W282 AromaticContact CZ-CH2 3.94Å; F221-W282 HydrophobicContact CZ-CH2 3.94Å; F221-W282 AromaticContact CZ-CZ3 3.75Å; F221-W282 HydrophobicContact CZ-CZ3 3.75Å |
| 222 | S | 90.7 | Very high | 91.7 | Very high | 9 Ų | 9 | 42.2 Ų | 42.2 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -151.1 | 145.4 | 178 | 174.3 | 0 | 0 | 0 | 0 | 107.3 | D195 I224 P246 | D195-S222 WeakPolarHBondContact OD2-CB 3.43Å; D195-S222 PolarHBondContact OD2-OG 2.82Å; S222-I224 PolarHBondContact O-N 3.11Å; S222-P246 VanDerWaalsContact O-CD 3.25Å; S222-P246 WeakPolarHBondContact O-CD 3.26Å |
| 223 | E | 91.9 | Very high | 91.5 | Very high | 82 Ų | 82 | 40 Ų | 40 | 38% | 0.383 | 21% | 0.213 | S | C | . | . | trans | -72.8 | 126.6 | 179.8 | -70.4 | -175.9 | 140.2 | 0 | 0 | 110.8 | R194 L243 L244 | R194-E223 HydrophobicContact CB-CB 4.48Å; R194-E223 WeakPolarHBondContact CD-OE2 3.4Å; R194-E223 HydrophobicContact CG-CB 4.35Å; R194-E223 IonicContact CZ-OE2 3.86Å; R194-E223 PolarHBondContact N-O 2.86Å; R194-E223 IonicContact NE-OE2 3.3Å; R194-E223 IonicContact NH1-OE2 3.9Å; R194-E223 PolarHBondContact NH1-OE2 3.04Å; E223-L243 HydrophobicContact CB-CD1 4.01Å; E223-L244 WeakPolarHBondContact CA-O 3.49Å | ||
| 224 | I | 92.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 131.9 | 173.3 | -165.2 | 170 | 0 | 0 | 0 | 109.7 | L171 E192 I193 F218 S222 I226 L244 P246 | L171-I224 HydrophobicContact CD2-CG2 4.35Å; E192-I224 WeakPolarHBondContact O-CA 3.43Å; E192-I224 WeakPolarHBondContact O-CG1 3.47Å; I193-I224 HydrophobicContact CG1-CD1 3.9Å; I193-I224 HydrophobicContact CG1-CG1 3.94Å; F218-I224 HydrophobicContact CB-CD1 3.75Å; S222-I224 PolarHBondContact O-N 3.11Å; I224-I226 HydrophobicContact CD1-CD1 4.42Å; I224-I226 HydrophobicContact CD1-CG1 4.5Å; I224-I226 HydrophobicContact CG1-CD1 4.44Å; I224-I226 HydrophobicContact CG1-CG1 4.1Å; I224-I226 HydrophobicContact CG2-CD1 3.95Å; I224-I226 HydrophobicContact CG2-CG1 4.14Å; I224-L244 HydrophobicContact CG2-CD1 4.42Å; I224-L244 HydrophobicContact CG2-CG 4.06Å; I224-L244 PolarHBondContact N-O 3.06Å; I224-L244 PolarHBondContact O-N 3.08Å; I224-P246 HydrophobicContact CG2-CG 3.78Å |
| 225 | E | 93.6 | Very high | 91.2 | Very high | 61 Ų | 61 | 41.5 Ų | 41.5 | 29% | 0.285 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.8 | 172.9 | -172.4 | 166.4 | 154.8 | 0 | 0 | 109.2 | T191 E192 P241 L243 | T191-E225 WeakPolarHBondContact CA-O 3.43Å; E192-E225 PolarHBondContact N-O 2.04Å; E192-E225 PolarHBondContact O-N 2.89Å; E225-P241 HydrophobicContact CG-CB 3.75Å; E225-P241 WeakPolarHBondContact OE1-CB 3.23Å; E225-L243 HydrophobicContact CB-CD1 4.15Å |
| 226 | I | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 129.1 | -172.4 | -55.6 | -171.7 | 0 | 0 | 0 | 109.7 | L159 L171 L189 Y190 T191 I213 I224 L242 L244 | L159-I226 HydrophobicContact CD2-CG2 4.42Å; L159-I226 WeakPolarHBondContact CD2-O 3.32Å; L171-I226 HydrophobicContact CD2-CD1 3.67Å; L189-I226 HydrophobicContact CD1-CG2 3.59Å; L189-I226 HydrophobicContact CG-CG2 4.28Å; Y190-I226 WeakPolarHBondContact O-CA 3.5Å; T191-I226 HydrophobicContact CG2-CD1 4.28Å; T191-I226 HydrophobicContact CG2-CG1 4.06Å; T191-I226 HydrophobicContact CG2-CG2 4.23Å; I213-I226 HydrophobicContact CD1-CD1 4.01Å; I224-I226 HydrophobicContact CD1-CD1 4.42Å; I224-I226 HydrophobicContact CD1-CG1 4.5Å; I224-I226 HydrophobicContact CG1-CD1 4.44Å; I224-I226 HydrophobicContact CG1-CG1 4.1Å; I224-I226 HydrophobicContact CG2-CD1 3.95Å; I224-I226 HydrophobicContact CG2-CG1 4.14Å; I226-L242 PolarHBondContact N-O 2.89Å; I226-L242 PolarHBondContact O-N 2.92Å; I226-L244 HydrophobicContact CD1-CD2 4.14Å |
| 227 | Y | 94.5 | Very high | 91.7 | Very high | 64 Ų | 64 | 37.9 Ų | 37.9 | 25% | 0.251 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 155.8 | 174.2 | 61.5 | -90.3 | 0 | 0 | 0 | 112.4 | Y190 | Y190-Y227 VanDerWaalsContact CB-CE2 3.49Å; Y190-Y227 VanDerWaalsContact CB-CZ 3.4Å; Y190-Y227 HydrophobicContact CD1-CE2 4.19Å; Y190-Y227 HydrophobicContact CD2-CD2 4.05Å; Y190-Y227 AromaticContact CD2-CE2 3.6Å; Y190-Y227 HydrophobicContact CD2-CE2 3.6Å; Y190-Y227 HydrophobicContact CE2-CE2 4.4Å; Y190-Y227 HydrophobicContact CG-CD2 4.18Å; Y190-Y227 AromaticContact CG-CE2 3.49Å; Y190-Y227 HydrophobicContact CG-CE2 3.49Å; Y190-Y227 VanDerWaalsContact CG-CE2 3.49Å; Y190-Y227 AromaticContact CG-CZ 3.69Å; Y190-Y227 PolarHBondContact N-O 2.88Å; Y190-Y227 PolarHBondContact O-N 2.82Å; Y190-Y227 VanDerWaalsContact O-N 3.11Å |
| 228 | V | 95.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130.1 | -179.8 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | P156 L159 W175 Y187 L189 T238 S239 | P156-V228 HydrophobicContact CB-CB 4.32Å; P156-V228 HydrophobicContact CB-CG1 4.36Å; P156-V228 HydrophobicContact CG-CB 4.21Å; P156-V228 HydrophobicContact CG-CG1 3.96Å; L159-V228 HydrophobicContact CD1-CG2 3.91Å; L159-V228 HydrophobicContact CD2-CG2 4.26Å; W175-V228 HydrophobicContact CD2-CB 4.47Å; W175-V228 HydrophobicContact CD2-CG1 4.19Å; W175-V228 HydrophobicContact CD2-CG2 3.66Å; W175-V228 HydrophobicContact CE3-CG2 3.59Å; W175-V228 HydrophobicContact CG-CG2 4.16Å; W175-V228 HydrophobicContact CH2-CG2 4.31Å; W175-V228 HydrophobicContact CZ2-CG1 3.98Å; W175-V228 HydrophobicContact CZ2-CG2 4.39Å; W175-V228 HydrophobicContact CZ3-CG2 3.93Å; Y187-V228 HydrophobicContact CD1-CG1 3.91Å; L189-V228 HydrophobicContact CD1-CG2 3.62Å; V228-T238 CarbonylContact O-C 3.56Å; V228-T238 WeakPolarHBondContact O-CA 3.39Å; V228-S239 PolarHBondContact N-OG 3.38Å; V228-S239 PolarHBondContact O-N 3.16Å |
| 229 | K | 93.9 | Very high | 92.3 | Very high | 49 Ų | 49 | 41.6 Ų | 41.6 | 21% | 0.213 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.2 | 170.8 | -168.1 | 166.7 | -175.1 | 165.1 | 0 | 110 | Y187 T188 Y190 V231 A237 T238 | Y187-K229 WeakPolarHBondContact CA-O 3.44Å; T188-K229 PolarHBondContact N-O 3.03Å; T188-K229 PolarHBondContact O-N 3.14Å; Y190-K229 HydrophobicContact CD2-CB 4.25Å; Y190-K229 HydrophobicContact CE2-CB 3.72Å; Y190-K229 HydrophobicContact CE2-CD 4.22Å; K229-V231 HydrophobicContact CG-CG2 4.08Å; K229-A237 CarbonylContact C-O 3.54Å; K229-A237 WeakPolarHBondContact CA-O 3.46Å; K229-T238 HydrophobicContact CB-CG2 4.13Å; K229-T238 HydrophobicContact CD-CG2 4.15Å; K229-T238 HydrophobicContact CG-CG2 3.85Å |
| 230 | A | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 134.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | P153 P156 T185 Q186 Y187 Q236 A237 | P153-A230 HydrophobicContact CB-CB 3.82Å; P153-A230 HydrophobicContact CG-CB 4.36Å; P156-A230 HydrophobicContact CG-CB 4.12Å; T185-A230 HydrophobicContact CG2-CB 4.05Å; Q186-A230 CarbonylContact O-C 3.56Å; Q186-A230 WeakPolarHBondContact O-CA 3.43Å; Y187-A230 HydrophobicContact CD1-CB 3.89Å; Y187-A230 HydrophobicContact CE1-CB 3.67Å; A230-Q236 CarbonylContact O-C 3.59Å; A230-Q236 WeakPolarHBondContact O-CA 3.19Å; A230-A237 PolarHBondContact N-O 3.41Å; A230-A237 PolarHBondContact O-N 2.88Å |
| 231 | V | 92.6 | Very high | 92.7 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 30% | 0.297 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 131.6 | -179.8 | -172.5 | 0 | 0 | 0 | 0 | 109.7 | T185 Q186 K229 Q236 | T185-V231 CarbonylContact C-O 3.57Å; T185-V231 WeakPolarHBondContact CA-O 3.32Å; Q186-V231 PolarHBondContact N-O 3.07Å; Q186-V231 PolarHBondContact O-N 2.85Å; K229-V231 HydrophobicContact CG-CG2 4.08Å; V231-Q236 HydrophobicContact CB-CB 4.48Å; V231-Q236 HydrophobicContact CG1-CB 4.39Å; V231-Q236 HydrophobicContact CG2-CB 3.98Å |
| 232 | N | 91.1 | Very high | 92.9 | Very high | 15 Ų | 15 | 45.2 Ų | 45.2 | 8% | 0.08 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | -177.5 | 167.9 | 80.9 | 19 | 0 | 0 | 0 | 110.8 | F151 T185 L234 G235 | F151-N232 PolarHBondContact O-ND2 2.88Å; T185-N232 HydrophobicContact CG2-CB 4.38Å; T185-N232 WeakPolarHBondContact OG1-CB 3.38Å; T185-N232 PolarHBondContact OG1-ND2 3.13Å; N232-L234 PolarHBondContact O-N 3.4Å; N232-L234 VanDerWaalsContact O-N 3.09Å; N232-L234 PolarHBondContact OD1-N 2.76Å; N232-G235 PolarHBondContact N-O 3.37Å; N232-G235 PolarHBondContact O-N 3.19Å; N232-G235 VanDerWaalsContact O-O 3.09Å; N232-G235 PolarHBondContact OD1-N 3.14Å |
| 233 | A | 89.1 | Confident | 93 | Very high | 76 Ų | 76 | 48.1 Ų | 48.1 | 63% | 0.628 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -12.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | V38 | V38-A233 HydrophobicContact CB-CB 4.14Å; V38-A233 HydrophobicContact CG1-CB 3.98Å; V38-A233 HydrophobicContact CG2-CB 4.19Å |
| 234 | L | 89.8 | Confident | 93.1 | Very high | 54 Ų | 54 | 45.3 Ų | 45.3 | 28% | 0.283 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -11.2 | 179.9 | -59.4 | 179.1 | 0 | 0 | 0 | 113.7 | V38 A40 G150 P152 L183 N232 | V38-L234 HydrophobicContact CG1-CD2 4.25Å; V38-L234 HydrophobicContact CG1-CG 4.49Å; A40-L234 HydrophobicContact CB-CD1 4.07Å; G150-L234 WeakPolarHBondContact O-CD1 3.31Å; P152-L234 HydrophobicContact CB-CB 4.27Å; L183-L234 HydrophobicContact CD1-CD1 3.47Å; L183-L234 VanDerWaalsContact CD1-CD1 3.47Å; L183-L234 HydrophobicContact CD1-CG 3.7Å; N232-L234 PolarHBondContact O-N 3.4Å; N232-L234 VanDerWaalsContact O-N 3.09Å; N232-L234 PolarHBondContact OD1-N 2.76Å |
| 235 | G | 90.3 | Very high | 93.1 | Very high | 28 Ų | 28 | 47.5 Ų | 47.5 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.4 | -169.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N232 | N232-G235 PolarHBondContact N-O 3.37Å; N232-G235 PolarHBondContact O-N 3.19Å; N232-G235 VanDerWaalsContact O-O 3.09Å; N232-G235 PolarHBondContact OD1-N 3.14Å |
| 236 | Q | 93.7 | Very high | 93.1 | Very high | 124 Ų | 124 | 44.6 Ų | 44.6 | 58% | 0.579 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 147.3 | 178.1 | 60.4 | -173.6 | -110.7 | 0 | 0 | 111.1 | A230 V231 | A230-Q236 CarbonylContact O-C 3.59Å; A230-Q236 WeakPolarHBondContact O-CA 3.19Å; V231-Q236 HydrophobicContact CB-CB 4.48Å; V231-Q236 HydrophobicContact CG1-CB 4.39Å; V231-Q236 HydrophobicContact CG2-CB 3.98Å |
| 237 | A | 93.4 | Very high | 92.9 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 153.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P153 A155 K229 A230 | P153-A237 HydrophobicContact CG-CB 4.38Å; P153-A237 VanDerWaalsContact O-CB 3.22Å; P153-A237 WeakPolarHBondContact O-CB 3.34Å; A155-A237 HydrophobicContact CB-CB 4.41Å; K229-A237 CarbonylContact C-O 3.54Å; K229-A237 WeakPolarHBondContact CA-O 3.46Å; A230-A237 PolarHBondContact N-O 3.41Å; A230-A237 PolarHBondContact O-N 2.88Å |
| 238 | T | 94.3 | Very high | 92.8 | Very high | 73 Ų | 73 | 45.6 Ų | 45.6 | 45% | 0.448 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.3 | -179.6 | 46.2 | 0 | 0 | 0 | 0 | 110.2 | A155 V228 K229 | A155-T238 WeakPolarHBondContact CB-O 3.46Å; V228-T238 CarbonylContact O-C 3.56Å; V228-T238 WeakPolarHBondContact O-CA 3.39Å; K229-T238 HydrophobicContact CB-CG2 4.13Å; K229-T238 HydrophobicContact CD-CG2 4.15Å; K229-T238 HydrophobicContact CG-CG2 3.85Å |
| 239 | S | 95.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 164.5 | 170.1 | 71.1 | 0 | 0 | 0 | 0 | 110.8 | P156 V228 | P156-S239 WeakPolarHBondContact O-CB 3.43Å; V228-S239 PolarHBondContact N-OG 3.38Å; V228-S239 PolarHBondContact O-N 3.16Å |
| 240 | T | 94.1 | Very high | 92.6 | Very high | 113 Ų | 113 | 44 Ų | 44 | 69% | 0.693 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 138.8 | 156.3 | 48.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 241 | P | 93.8 | Very high | 92.6 | Very high | 75 Ų | 75 | 47.3 Ų | 47.3 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 140.6 | 171.6 | -20.5 | 32.8 | 0 | 0 | 0 | 112 | E225 | E225-P241 HydrophobicContact CG-CB 3.75Å; E225-P241 WeakPolarHBondContact OE1-CB 3.23Å |
| 242 | L | 94 | Very high | 92.5 | Very high | 50 Ų | 50 | 45.3 Ų | 45.3 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 112.4 | 172.5 | -179.4 | 71.8 | 0 | 0 | 0 | 108.4 | L159 C161 I226 L244 | L159-L242 HydrophobicContact CD2-CB 4.04Å; L159-L242 HydrophobicContact CG-CB 4.23Å; L159-L242 HydrophobicContact CG-CD2 4.28Å; C161-L242 HydrophobicContact CB-CD2 4.27Å; I226-L242 PolarHBondContact N-O 2.89Å; I226-L242 PolarHBondContact O-N 2.92Å; L242-L244 HydrophobicContact CD2-CD2 3.5Å; L242-L244 HydrophobicContact CG-CD2 3.71Å |
| 243 | L | 93.1 | Very high | 92.6 | Very high | 70 Ų | 70 | 46.1 Ų | 46.1 | 37% | 0.366 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 127.4 | 171.8 | -172.6 | 71.5 | 0 | 0 | 0 | 109.3 | E223 E225 | E223-L243 HydrophobicContact CB-CD1 4.01Å; E225-L243 HydrophobicContact CB-CD1 4.15Å |
| 244 | L | 92.9 | Very high | 92.7 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 12% | 0.12 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 152.8 | 177 | 67.6 | 120.8 | 0 | 0 | 0 | 113.1 | C161 L171 E223 I224 I226 L242 P246 S249 | C161-L244 HydrophobicContact CB-CD2 4.12Å; L171-L244 HydrophobicContact CD1-CD1 4.32Å; E223-L244 WeakPolarHBondContact CA-O 3.49Å; I224-L244 HydrophobicContact CG2-CD1 4.42Å; I224-L244 HydrophobicContact CG2-CG 4.06Å; I224-L244 PolarHBondContact N-O 3.06Å; I224-L244 PolarHBondContact O-N 3.08Å; I226-L244 HydrophobicContact CD1-CD2 4.14Å; L242-L244 HydrophobicContact CD2-CD2 3.5Å; L242-L244 HydrophobicContact CG-CD2 3.71Å; L244-P246 HydrophobicContact CD1-CG 4.3Å; L244-S249 VanDerWaalsContact CD1-OG 3.23Å; L244-S249 WeakPolarHBondContact CD1-OG 3.36Å |
| 245 | E | 92.8 | Very high | 92.8 | Very high | 48 Ų | 48 | 43.2 Ų | 43.2 | 22% | 0.224 | 25% | 0.245 | C | C | . | . | trans | -86.2 | 125.5 | 158 | -179.2 | 179.7 | 99 | 0 | 0 | 108.8 | L220 F221 M247 E248 S249 | L220-E245 VanDerWaalsContact O-CG 3.25Å; L220-E245 WeakPolarHBondContact O-CG 3.08Å; F221-E245 WeakPolarHBondContact CA-OE2 3.34Å; E245-M247 VanDerWaalsContact C-N 3.27Å; E245-M247 HydrophobicContact CG-CB 4.39Å; E245-M247 PolarHBondContact O-N 2.65Å; E245-E248 HydrophobicContact CB-CB 4.32Å; E245-E248 HydrophobicContact CB-CG 4.18Å; E245-E248 PolarHBondContact O-N 3.1Å; E245-S249 PolarHBondContact O-N 3.25Å | ||
| 246 | P | 92.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -28.4 | -178.4 | -30 | 39.7 | 0 | 0 | 0 | 114.7 | T163 L171 F218 V219 L220 S222 I224 L244 S249 A250 | T163-P246 WeakPolarHBondContact CB-O 3.22Å; T163-P246 WeakPolarHBondContact OG1-CB 3.4Å; T163-P246 PolarHBondContact OG1-O 3.14Å; L171-P246 HydrophobicContact CD2-CG 4.3Å; F218-P246 HydrophobicContact CB-CG 4.43Å; F218-P246 HydrophobicContact CD2-CB 3.8Å; F218-P246 HydrophobicContact CD2-CG 3.98Å; F218-P246 HydrophobicContact CE2-CB 4.2Å; V219-P246 WeakPolarHBondContact O-CD 3.33Å; V219-P246 VanDerWaalsContact O-CG 3.26Å; V219-P246 WeakPolarHBondContact O-CG 3.25Å; L220-P246 HydrophobicContact CD2-CB 4.36Å; S222-P246 VanDerWaalsContact O-CD 3.25Å; S222-P246 WeakPolarHBondContact O-CD 3.26Å; I224-P246 HydrophobicContact CG2-CG 3.78Å; L244-P246 HydrophobicContact CD1-CG 4.3Å; P246-S249 PolarHBondContact O-N 3.05Å; P246-S249 PolarHBondContact O-OG 3.49Å; P246-S249 VanDerWaalsContact O-OG 3.07Å; P246-A250 PolarHBondContact O-N 2.99Å |
| 247 | M | 92.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -34.9 | 172.3 | -176.4 | 60 | 60.4 | 0 | 0 | 112.9 | L165 L220 F221 E245 S249 A250 F252 W282 Y335 | L165-M247 HydrophobicContact CD1-CE 4.24Å; L165-M247 HydrophobicContact CD1-SD 4.16Å; L165-M247 HydrophobicContact CD2-CE 4.14Å; L220-M247 HydrophobicContact CB-CE 4.38Å; L220-M247 HydrophobicContact CD1-CE 4.21Å; L220-M247 HydrophobicContact CD2-CE 4.31Å; L220-M247 WeakPolarHBondContact O-CB 3.05Å; L220-M247 PolarHBondContact O-N 3.07Å; F221-M247 HydrophobicContact CD1-CB 4.07Å; F221-M247 HydrophobicContact CD1-CG 4.28Å; F221-M247 HydrophobicContact CE1-CB 3.95Å; F221-M247 HydrophobicContact CE1-CE 4.18Å; F221-M247 HydrophobicContact CE1-CG 3.69Å; F221-M247 HydrophobicContact CE2-CE 4.49Å; F221-M247 HydrophobicContact CZ-CE 3.84Å; F221-M247 HydrophobicContact CZ-CG 4.31Å; E245-M247 VanDerWaalsContact C-N 3.27Å; E245-M247 HydrophobicContact CG-CB 4.39Å; E245-M247 PolarHBondContact O-N 2.65Å; M247-S249 PolarHBondContact O-N 3.22Å; M247-A250 VanDerWaalsContact O-CB 3.26Å; M247-A250 WeakPolarHBondContact O-CB 3.39Å; M247-A250 PolarHBondContact O-N 3.01Å; M247-A250 VanDerWaalsContact O-N 3.14Å; M247-A250 HydrophobicContact SD-CB 4.09Å; M247-F252 HydrophobicContact SD-CE2 4.35Å; M247-F252 HydrophobicContact SD-CZ 4Å; M247-W282 HydrophobicContact CE-CH2 3.45Å; M247-W282 VanDerWaalsContact CE-CH2 3.45Å; M247-W282 HydrophobicContact CE-CZ2 3.98Å; M247-W282 HydrophobicContact CE-CZ3 4.38Å; M247-Y335 HydrophobicContact CB-CD1 4.48Å; M247-Y335 HydrophobicContact CB-CE1 4.39Å; M247-Y335 HydrophobicContact CG-CD1 3.44Å; M247-Y335 VanDerWaalsContact CG-CD1 3.44Å; M247-Y335 HydrophobicContact CG-CD2 4.13Å; M247-Y335 HydrophobicContact CG-CE1 3.54Å; M247-Y335 HydrophobicContact CG-CE2 4.24Å; M247-Y335 HydrophobicContact CG-CG 3.74Å; M247-Y335 HydrophobicContact SD-CD1 4.36Å; M247-Y335 HydrophobicContact SD-CD2 4.39Å; M247-Y335 HydrophobicContact SD-CG 4.09Å |
| 248 | E | 91.4 | Very high | 92.5 | Very high | 84 Ų | 84 | 47.1 Ų | 47.1 | 39% | 0.393 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -17.2 | 175.7 | -64.9 | -141.7 | 129.9 | 0 | 0 | 113.3 | E245 Y335 Q336 S338 | E245-E248 HydrophobicContact CB-CB 4.32Å; E245-E248 HydrophobicContact CB-CG 4.18Å; E245-E248 PolarHBondContact O-N 3.1Å; E248-Y335 HydrophobicContact CG-CE1 4.48Å; E248-Q336 PolarHBondContact OE1-NE2 3.3Å; E248-S338 WeakPolarHBondContact O-CA 3.29Å; E248-S338 WeakPolarHBondContact O-CB 3.49Å |
| 249 | S | 92.9 | Very high | 92.2 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 12% | 0.119 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 8.8 | 169.7 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | L162 T163 L244 E245 P246 M247 | L162-S249 WeakPolarHBondContact CD1-O 3.2Å; T163-S249 PolarHBondContact N-O 2.64Å; T163-S249 VanDerWaalsContact N-O 3.1Å; T163-S249 PolarHBondContact OG1-OG 2.9Å; L244-S249 VanDerWaalsContact CD1-OG 3.23Å; L244-S249 WeakPolarHBondContact CD1-OG 3.36Å; E245-S249 PolarHBondContact O-N 3.25Å; P246-S249 PolarHBondContact O-N 3.05Å; P246-S249 PolarHBondContact O-OG 3.49Å; P246-S249 VanDerWaalsContact O-OG 3.07Å; M247-S249 PolarHBondContact O-N 3.22Å |
| 250 | A | 92.3 | Very high | 92 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 129.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T163 L165 P246 M247 F252 S338 | T163-A250 HydrophobicContact CG2-CB 4.38Å; T163-A250 WeakPolarHBondContact O-CA 3.26Å; L165-A250 HydrophobicContact CD1-CB 3.8Å; L165-A250 HydrophobicContact CD2-CB 4.33Å; L165-A250 HydrophobicContact CG-CB 3.96Å; P246-A250 PolarHBondContact O-N 2.99Å; M247-A250 VanDerWaalsContact O-CB 3.26Å; M247-A250 WeakPolarHBondContact O-CB 3.39Å; M247-A250 PolarHBondContact O-N 3.01Å; M247-A250 VanDerWaalsContact O-N 3.14Å; M247-A250 HydrophobicContact SD-CB 4.09Å; A250-F252 HydrophobicContact CB-CE2 4.23Å; A250-S338 WeakPolarHBondContact O-CB 3.43Å |
| 251 | K | 91.9 | Very high | 91.9 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 30% | 0.3 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125.1 | 167 | -168.2 | 169.4 | -176.3 | 174.9 | 0 | 110 | L162 T163 W340 E342 | L162-K251 HydrophobicContact CD1-CB 4.24Å; L162-K251 HydrophobicContact CD2-CB 4.21Å; L162-K251 HydrophobicContact CG-CB 4.34Å; T163-K251 PolarHBondContact O-N 3.14Å; K251-W340 WeakPolarHBondContact CE-O 3.17Å; K251-E342 WeakPolarHBondContact CE-OE1 3.46Å; K251-E342 IonicContact NZ-OE1 2.73Å; K251-E342 PolarHBondContact NZ-OE1 3.35Å |
| 252 | F | 92 | Very high | 91.7 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -85.4 | 153.8 | -178.4 | -77.1 | -103.9 | 0 | 0 | 0 | 112.4 | L165 M247 A250 L276 V283 V286 V333 S341 | L165-F252 HydrophobicContact CD1-CD1 4.24Å; L165-F252 HydrophobicContact CD1-CD2 4.37Å; L165-F252 HydrophobicContact CD1-CE1 3.83Å; L165-F252 HydrophobicContact CD1-CE2 3.94Å; L165-F252 HydrophobicContact CD1-CG 4.49Å; L165-F252 HydrophobicContact CD1-CZ 3.65Å; M247-F252 HydrophobicContact SD-CE2 4.35Å; M247-F252 HydrophobicContact SD-CZ 4Å; A250-F252 HydrophobicContact CB-CE2 4.23Å; F252-L276 HydrophobicContact CE1-CD1 4.44Å; F252-V283 HydrophobicContact CE1-CB 4.17Å; F252-V283 HydrophobicContact CE1-CG1 4.04Å; F252-V283 HydrophobicContact CE1-CG2 4Å; F252-V283 HydrophobicContact CZ-CG1 4.1Å; F252-V283 HydrophobicContact CZ-CG2 4.32Å; F252-V286 HydrophobicContact CE1-CG1 4.27Å; F252-V286 HydrophobicContact CZ-CG1 4.48Å; F252-V333 HydrophobicContact CB-CG2 3.85Å; F252-V333 HydrophobicContact CG-CG2 4.28Å; F252-S341 WeakPolarHBondContact O-CB 3.25Å |
| 253 | D | 91.8 | Very high | 91.6 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 17% | 0.171 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -62 | 154.2 | 168 | -66.9 | 2.9 | 0 | 0 | 0 | 109.6 | T166 S277 Q280 | T166-D253 PolarHBondContact OG1-OD1 2.95Å; T166-D253 VanDerWaalsContact OG1-OD1 3.13Å; D253-S277 WeakPolarHBondContact OD2-CB 3.19Å; D253-S277 PolarHBondContact OD2-OG 2.95Å; D253-Q280 PolarHBondContact OD1-NE2 3.26Å |
| 254 | P | 92.9 | Very high | 91.2 | Very high | 67 Ų | 67 | 43.6 Ų | 43.6 | 44% | 0.435 | 23% | 0.225 | S | C | . | . | P | Polyproline II helix | trans | -58.5 | 126.1 | 173 | -19.4 | 31 | 0 | 0 | 0 | 110.6 | E342 | P254-E342 HydrophobicContact CG-CB 4.23Š|
| 255 | P | 91.9 | Very high | 90.8 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -68 | 142.9 | -176.5 | 27.5 | -34.7 | 0 | 0 | 0 | 111 | I331 V333 S341 S344 | P255-I331 HydrophobicContact CB-CD1 4.03Å; P255-I331 HydrophobicContact CG-CB 4.41Å; P255-I331 HydrophobicContact CG-CD1 3.99Å; P255-I331 HydrophobicContact CG-CG1 3.95Å; P255-V333 HydrophobicContact CB-CG1 4.18Å; P255-V333 HydrophobicContact CB-CG2 4.38Å; P255-V333 HydrophobicContact CG-CG1 4.17Å; P255-V333 HydrophobicContact CG-CG2 4.27Å; P255-S341 WeakPolarHBondContact CD-OG 3.39Å; P255-S344 WeakPolarHBondContact O-CB 3.35Å |
| 256 | K | 90.3 | Very high | 90.5 | Very high | 112 Ų | 112 | 53.3 Ų | 53.3 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 122.1 | -179.4 | -66.4 | -177.6 | -177.6 | 177.4 | 0 | 110.1 | L258 W274 G275 | K256-L258 HydrophobicContact CB-CD2 4.37Å; K256-L258 PolarHBondContact O-N 2.56Å; K256-W274 CarbonylContact O-C 3.58Å; K256-W274 VanDerWaalsContact O-CA 3.3Å; K256-W274 WeakPolarHBondContact O-CA 3.34Å; K256-G275 PolarHBondContact N-O 2.76Å; K256-G275 PolarHBondContact O-N 2.76Å |
| 257 | V | 90.3 | Very high | 90.2 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 13% | 0.127 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 112.4 | 166.3 | 177.1 | 0 | 0 | 0 | 0 | 108 | V260 L272 I331 N347 | V257-V260 HydrophobicContact CG1-CG2 3.43Å; V257-V260 VanDerWaalsContact CG1-CG2 3.43Å; V257-L272 HydrophobicContact CG1-CD1 3.8Å; V257-L272 HydrophobicContact CG2-CD1 4.31Å; V257-I331 HydrophobicContact CG2-CD1 3.76Å; V257-I331 HydrophobicContact CG2-CG1 3.71Å; V257-N347 WeakPolarHBondContact CB-OD1 3.45Å; V257-N347 HydrophobicContact CG1-CB 3.98Å |
| 258 | L | 88.9 | Confident | 90 | Very high | 120 Ų | 120 | 59.6 Ų | 59.6 | 63% | 0.628 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -39.2 | -176 | -58.8 | 176.6 | 0 | 0 | 0 | 111.6 | K256 S273 | K256-L258 HydrophobicContact CB-CD2 4.37Å; K256-L258 PolarHBondContact O-N 2.56Å; L258-S273 PolarHBondContact N-O 2.69Å |
| 259 | K | 89 | Confident | 90 | Very high | 115 Ų | 115 | 55.9 Ų | 55.9 | 50% | 0.5 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 139.8 | 175.5 | -160.4 | -178.1 | -172 | -166.7 | 0 | 110.4 | Q261 S273 | K259-Q261 VanDerWaalsContact CE-OE1 3.3Å; K259-S273 PolarHBondContact N-O 2.92Å; K259-S273 VanDerWaalsContact N-O 3.12Å; K259-S273 PolarHBondContact O-N 2.87Å |
| 260 | V | 90.8 | Very high | 89.9 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 139 | 162.9 | -161.3 | 0 | 0 | 0 | 0 | 108.3 | V257 L270 R271 L272 I329 N347 A349 | V257-V260 HydrophobicContact CG1-CG2 3.43Å; V257-V260 VanDerWaalsContact CG1-CG2 3.43Å; V260-L270 HydrophobicContact CG1-CB 4.46Å; V260-R271 WeakPolarHBondContact CA-O 3.41Å; V260-L272 HydrophobicContact CG2-CD1 3.82Å; V260-I329 HydrophobicContact CG1-CD1 3.78Å; V260-N347 HydrophobicContact CG2-CB 4.05Å; V260-A349 HydrophobicContact CB-CB 3.87Å; V260-A349 HydrophobicContact CG1-CB 3.47Å; V260-A349 VanDerWaalsContact CG1-CB 3.47Å |
| 261 | Q | 91.9 | Very high | 89.9 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 30% | 0.304 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 164.6 | 175.9 | 54.5 | 169.9 | 79.4 | 0 | 0 | 110.3 | K259 L270 R271 | K259-Q261 VanDerWaalsContact CE-OE1 3.3Å; Q261-L270 CarbonylContact O-C 3.5Å; Q261-L270 WeakPolarHBondContact O-CA 3.45Å; Q261-R271 HydrophobicContact CG-CB 4.17Å; Q261-R271 PolarHBondContact N-O 3.35Å; Q261-R271 VanDerWaalsContact N-O 3.09Å; Q261-R271 PolarHBondContact O-N 3.46Å |
| 262 | A | 90.6 | Very high | 89.8 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 19% | 0.19 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 144.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P264 L352 | A262-P264 WeakPolarHBondContact O-CD 2.96Å; A262-L352 HydrophobicContact CB-CD2 3.63Å; A262-L352 HydrophobicContact CB-CG 3.91Å |
| 263 | E | 90.3 | Very high | 89.8 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 119.7 | 173.9 | 179.2 | 54.9 | -133.6 | 0 | 0 | 109.8 | N265 R266 C269 R271 | E263-N265 PolarHBondContact O-N 2.99Å; E263-R266 HydrophobicContact CB-CB 4.16Å; E263-R266 HydrophobicContact CG-CB 3.68Å; E263-R266 HydrophobicContact CG-CG 3.84Å; E263-R266 PolarHBondContact O-N 3.02Å; E263-C269 HydrophobicContact CB-CB 3.8Å; E263-C269 HydrophobicContact CG-CB 4.35Å; E263-C269 PolarHBondContact N-O 3.29Å; E263-R271 VanDerWaalsContact CD-NH2 3.32Å; E263-R271 IonicContact OE1-CZ 2.93Å; E263-R271 IonicContact OE1-NE 2.7Å; E263-R271 IonicContact OE1-NH2 2.82Å; E263-R271 PolarHBondContact OE1-NH2 3.01Å; E263-R271 WeakPolarHBondContact OE2-CB 3.41Å; E263-R271 IonicContact OE2-CZ 3.45Å; E263-R271 IonicContact OE2-NE 2.8Å; E263-R271 PolarHBondContact OE2-NE 3.45Å; E263-R271 IonicContact OE2-NH2 2.61Å; E263-R271 PolarHBondContact OE2-NH2 2.89Å; E263-R271 VanDerWaalsContact OE2-NH2 3.14Å |
| 264 | P | 85.5 | Confident | 89.7 | Confident | 67 Ų | 67 | 56.3 Ų | 56.3 | 44% | 0.435 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 132.8 | 178.5 | -27.3 | 36.5 | 0 | 0 | 0 | 112.1 | A262 R266 | A262-P264 WeakPolarHBondContact O-CD 2.96Å; P264-R266 PolarHBondContact O-N 3.38Å |
| 265 | N | 83.9 | Confident | 89.5 | Confident | 155 Ų | 155 | 53.2 Ų | 53.2 | 83% | 0.829 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 5.1 | -179.6 | -54.6 | -26 | 0 | 0 | 0 | 116.4 | E263 | E263-N265 PolarHBondContact O-N 2.99Š|
| 266 | R | 87.3 | Confident | 89.4 | Confident | 119 Ų | 119 | 53.7 Ų | 53.7 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | trans | -117.9 | 96.9 | 173.9 | -54 | -167.7 | 74 | -175.5 | -0 | 112.1 | E263 P264 C269 E317 | E263-R266 HydrophobicContact CB-CB 4.16Å; E263-R266 HydrophobicContact CG-CB 3.68Å; E263-R266 HydrophobicContact CG-CG 3.84Å; E263-R266 PolarHBondContact O-N 3.02Å; P264-R266 PolarHBondContact O-N 3.38Å; R266-C269 HydrophobicContact CB-CB 4.04Å; R266-C269 PolarHBondContact O-N 3.25Å; R266-E317 IonicContact CZ-OE1 2.71Å; R266-E317 IonicContact CZ-OE2 2.72Å; R266-E317 IonicContact NH1-OE1 3.73Å; R266-E317 PolarHBondContact NH1-OE1 2.99Å; R266-E317 IonicContact NH1-OE2 3.2Å; R266-E317 PolarHBondContact NH1-OE2 3.23Å | ||
| 267 | Y | 87.3 | Confident | 89.3 | Confident | 128 Ų | 128 | 49.2 Ų | 49.2 | 50% | 0.502 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 138.5 | 173 | -61.3 | -80.3 | 0 | 0 | 0 | 111.8 | C269 L352 E353 R354 | Y267-C269 VanDerWaalsContact C-N 3.29Å; Y267-C269 PolarHBondContact O-N 3.48Å; Y267-L352 HydrophobicContact CD1-CB 3.93Å; Y267-L352 HydrophobicContact CD1-CD1 4.32Å; Y267-L352 HydrophobicContact CE1-CB 4.28Å; Y267-L352 HydrophobicContact CE1-CD1 4.38Å; Y267-E353 VanDerWaalsContact CE1-O 3.29Å; Y267-E353 WeakPolarHBondContact CE1-O 3.41Å; Y267-R354 HydrophobicContact CD1-CB 4.17Å; Y267-R354 HydrophobicContact CE1-CB 4.49Å |
| 268 | G | 87.1 | Confident | 89.1 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 19.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | C319 R320 L321 | G268-C319 CarbonylContact O-C 3.57Å; G268-C319 WeakPolarHBondContact O-CA 3.49Å; G268-R320 PolarHBondContact O-N 2.96Å; G268-R320 VanDerWaalsContact O-N 3.13Å; G268-L321 VanDerWaalsContact CA-O 3.3Å; G268-L321 WeakPolarHBondContact CA-O 3.15Å; G268-L321 PolarHBondContact O-N 3.35Å |
| 269 | C | 91.4 | Very high | 88.9 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | trans | -127.1 | 145.1 | 175.6 | -62.3 | 0 | 0 | 0 | 0 | 112.3 | E263 R266 Y267 V318 C319 | E263-C269 HydrophobicContact CB-CB 3.8Å; E263-C269 HydrophobicContact CG-CB 4.35Å; E263-C269 PolarHBondContact N-O 3.29Å; R266-C269 HydrophobicContact CB-CB 4.04Å; R266-C269 PolarHBondContact O-N 3.25Å; Y267-C269 VanDerWaalsContact C-N 3.29Å; Y267-C269 PolarHBondContact O-N 3.48Å; C269-V318 CarbonylContact C-O 3.59Å; C269-V318 VanDerWaalsContact CA-O 3.28Å; C269-V318 WeakPolarHBondContact CA-O 3.49Å; C269-C319 HydrophobicContact CB-CB 4.16Å; C269-C319 WeakPolarHBondContact CB-SG 3.44Å; C269-C319 WeakPolarHBondContact SG-CB 3.29Å; C269-C319 CovalentContact SG-SG 2.04Å; C269-C319 PolarHBondContact SG-SG 2.67Å | ||
| 270 | L | 91.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 139.4 | 172.3 | -64.5 | 176.4 | 0 | 0 | 0 | 110.1 | V260 Q261 E317 V318 L321 Y327 I329 A349 T351 | V260-L270 HydrophobicContact CG1-CB 4.46Å; Q261-L270 CarbonylContact O-C 3.5Å; Q261-L270 WeakPolarHBondContact O-CA 3.45Å; L270-E317 CarbonylContact O-C 3.57Å; L270-E317 WeakPolarHBondContact O-CA 3.12Å; L270-V318 PolarHBondContact N-O 2.87Å; L270-V318 PolarHBondContact O-N 2.99Å; L270-L321 HydrophobicContact CB-CD1 4.33Å; L270-L321 HydrophobicContact CD1-CD1 3.63Å; L270-L321 HydrophobicContact CG-CD1 3.76Å; L270-Y327 HydrophobicContact CD1-CD2 4.46Å; L270-I329 HydrophobicContact CD1-CD1 3.67Å; L270-A349 HydrophobicContact CD1-CB 4.11Å; L270-A349 HydrophobicContact CD2-CB 4.18Å; L270-T351 HydrophobicContact CD1-CG2 4.36Å; L270-T351 HydrophobicContact CD2-CG2 3.89Å; L270-T351 HydrophobicContact CG-CG2 3.96Å |
| 271 | R | 91.5 | Very high | 88.5 | Confident | 96 Ų | 96 | 49.6 Ų | 49.6 | 36% | 0.362 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 120.2 | 172 | -170.2 | -179.5 | -71.1 | -162.4 | -3.1 | 109.6 | V260 Q261 E263 P315 M316 | V260-R271 WeakPolarHBondContact CA-O 3.41Å; Q261-R271 HydrophobicContact CG-CB 4.17Å; Q261-R271 PolarHBondContact N-O 3.35Å; Q261-R271 VanDerWaalsContact N-O 3.09Å; Q261-R271 PolarHBondContact O-N 3.46Å; E263-R271 VanDerWaalsContact CD-NH2 3.32Å; E263-R271 IonicContact OE1-CZ 2.93Å; E263-R271 IonicContact OE1-NE 2.7Å; E263-R271 IonicContact OE1-NH2 2.82Å; E263-R271 PolarHBondContact OE1-NH2 3.01Å; E263-R271 WeakPolarHBondContact OE2-CB 3.41Å; E263-R271 IonicContact OE2-CZ 3.45Å; E263-R271 IonicContact OE2-NE 2.8Å; E263-R271 PolarHBondContact OE2-NE 3.45Å; E263-R271 IonicContact OE2-NH2 2.61Å; E263-R271 PolarHBondContact OE2-NH2 2.89Å; E263-R271 VanDerWaalsContact OE2-NH2 3.14Å; R271-P315 HydrophobicContact CG-CB 4.1Å; R271-M316 WeakPolarHBondContact CA-O 3.1Å |
| 272 | L | 90.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 108.2 | -178.4 | 170 | 59.5 | 0 | 0 | 0 | 110.2 | V257 V260 V290 P315 M316 I329 I331 | V257-L272 HydrophobicContact CG1-CD1 3.8Å; V257-L272 HydrophobicContact CG2-CD1 4.31Å; V260-L272 HydrophobicContact CG2-CD1 3.82Å; L272-V290 HydrophobicContact CD2-CG1 4.28Å; L272-V290 HydrophobicContact CD2-CG2 4.35Å; L272-P315 CarbonylContact O-C 3.43Å; L272-P315 VanDerWaalsContact O-CA 3.28Å; L272-P315 WeakPolarHBondContact O-CA 3.41Å; L272-M316 HydrophobicContact CB-CG 3.98Å; L272-M316 HydrophobicContact CD2-CG 4.24Å; L272-M316 HydrophobicContact CD2-SD 4.1Å; L272-M316 HydrophobicContact CG-CG 4.26Å; L272-M316 PolarHBondContact N-O 2.59Å; L272-M316 PolarHBondContact O-N 3.02Å; L272-I329 HydrophobicContact CD2-CG2 4.41Å; L272-I331 HydrophobicContact CD2-CG2 3.78Å |
| 273 | S | 90.3 | Very high | 88 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 21% | 0.21 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126.5 | 168.7 | -61.8 | 0 | 0 | 0 | 0 | 109.7 | L258 K259 P315 | L258-S273 PolarHBondContact N-O 2.69Å; K259-S273 PolarHBondContact N-O 2.92Å; K259-S273 VanDerWaalsContact N-O 3.12Å; K259-S273 PolarHBondContact O-N 2.87Å; S273-P315 WeakPolarHBondContact OG-CG 3.46Å |
| 274 | W | 90.1 | Very high | 87.4 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 2% | 0.019 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 163.4 | -175.9 | 66.9 | -80.7 | 0 | 0 | 0 | 110.5 | K256 L276 V286 L288 L310 Q313 R314 I331 V333 | K256-W274 CarbonylContact O-C 3.58Å; K256-W274 VanDerWaalsContact O-CA 3.3Å; K256-W274 WeakPolarHBondContact O-CA 3.34Å; W274-L276 HydrophobicContact CZ3-CD2 4.08Å; W274-L276 HydrophobicContact CZ3-CG 4.27Å; W274-V286 HydrophobicContact CH2-CG2 3.59Å; W274-V286 HydrophobicContact CZ3-CG2 4.13Å; W274-L288 HydrophobicContact CD2-CD1 4.32Å; W274-L288 HydrophobicContact CD2-CD2 4.25Å; W274-L288 HydrophobicContact CE3-CD1 4.33Å; W274-L288 HydrophobicContact CG-CD2 4.39Å; W274-L288 HydrophobicContact CZ2-CD2 4.44Å; W274-L310 HydrophobicContact CZ2-CB 4.26Å; W274-L310 HydrophobicContact CZ2-CD1 3.61Å; W274-Q313 HydrophobicContact CH2-CG 4.01Å; W274-Q313 HydrophobicContact CZ3-CG 4.13Å; W274-R314 PolarHBondContact NE1-O 2.92Å; W274-R314 VanDerWaalsContact NE1-O 3.16Å; W274-I331 HydrophobicContact CB-CD1 3.58Å; W274-I331 HydrophobicContact CG-CD1 4.24Å; W274-V333 HydrophobicContact CZ3-CG1 4.2Å |
| 275 | G | 89 | Confident | 87.3 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 165.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K256 | K256-G275 PolarHBondContact N-O 2.76Å; K256-G275 PolarHBondContact O-N 2.76Å |
| 276 | L | 89.4 | Confident | 87.4 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | trans | -80.6 | 173.9 | 172 | -61.6 | 178.4 | 0 | 0 | 0 | 111 | F252 W274 Q280 V283 V286 V333 | F252-L276 HydrophobicContact CE1-CD1 4.44Å; W274-L276 HydrophobicContact CZ3-CD2 4.08Å; W274-L276 HydrophobicContact CZ3-CG 4.27Å; L276-Q280 HydrophobicContact CB-CB 4.35Å; L276-Q280 WeakPolarHBondContact CD1-O 3.24Å; L276-V283 HydrophobicContact CD1-CB 4.13Å; L276-V286 HydrophobicContact CD1-CG1 4.48Å; L276-V333 HydrophobicContact CD2-CG1 4.25Å; L276-V333 HydrophobicContact CD2-CG2 3.89Å | ||
| 277 | S | 87.8 | Confident | 87.4 | Confident | 17 Ų | 17 | 40.8 Ų | 40.8 | 12% | 0.119 | 21% | 0.205 | C | C | . | . | trans | -55.9 | 143.7 | 163.5 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | D253 Q279 Q280 A281 | D253-S277 WeakPolarHBondContact OD2-CB 3.19Å; D253-S277 PolarHBondContact OD2-OG 2.95Å; S277-Q279 PolarHBondContact O-N 2.92Å; S277-Q279 VanDerWaalsContact O-N 3.14Å; S277-Q280 CarbonylContact O-C 3.56Å; S277-Q280 WeakPolarHBondContact O-CA 3.43Å; S277-Q280 PolarHBondContact O-N 2.82Å; S277-A281 PolarHBondContact O-N 2.86Å | ||
| 278 | E | 85.9 | Confident | 87.4 | Confident | 166 Ų | 166 | 34.7 Ų | 34.7 | 78% | 0.776 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -33.1 | -178 | -71.1 | 166.6 | -151.9 | 0 | 0 | 112.2 | Q280 | E278-Q280 PolarHBondContact O-N 3.33Š|
| 279 | Q | 85.8 | Confident | 87.5 | Confident | 72 Ų | 72 | 35.3 Ų | 35.3 | 34% | 0.336 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.9 | 177.3 | -58.2 | -173.7 | 3.4 | 0 | 0 | 113.2 | K167 S277 W282 | K167-Q279 HydrophobicContact CD-CB 4.36Å; K167-Q279 HydrophobicContact CG-CB 4.27Å; S277-Q279 PolarHBondContact O-N 2.92Å; S277-Q279 VanDerWaalsContact O-N 3.14Å; Q279-W282 VanDerWaalsContact O-CD1 3.23Å; Q279-W282 PolarHBondContact O-NE1 3.36Å |
| 280 | Q | 88 | Confident | 87.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -1.8 | -175.7 | -66.7 | 168.3 | 4.1 | 0 | 0 | 112.8 | L165 D253 L276 S277 E278 W282 V283 | L165-Q280 HydrophobicContact CB-CG 3.88Å; D253-Q280 PolarHBondContact OD1-NE2 3.26Å; L276-Q280 HydrophobicContact CB-CB 4.35Å; L276-Q280 WeakPolarHBondContact CD1-O 3.24Å; S277-Q280 CarbonylContact O-C 3.56Å; S277-Q280 WeakPolarHBondContact O-CA 3.43Å; S277-Q280 PolarHBondContact O-N 2.82Å; E278-Q280 PolarHBondContact O-N 3.33Å; Q280-W282 PolarHBondContact O-N 2.77Å; Q280-V283 PolarHBondContact O-N 2.87Å |
| 281 | A | 84.3 | Confident | 87.2 | Confident | 49 Ų | 49 | 37.6 Ų | 37.6 | 41% | 0.405 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -8.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S277 V283 | S277-A281 PolarHBondContact O-N 2.86Å; A281-V283 VanDerWaalsContact C-N 3.33Å |
| 282 | W | 86 | Confident | 87.1 | Confident | 99 Ų | 99 | 33.6 Ų | 33.6 | 38% | 0.375 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -20.4 | 172.3 | 67 | -95.6 | 0 | 0 | 0 | 113.3 | L220 F221 M247 Q279 Q280 T284 | L220-W282 HydrophobicContact CD1-CH2 3.66Å; L220-W282 HydrophobicContact CD1-CZ2 3.75Å; F221-W282 AromaticContact CE2-CH2 3.91Å; F221-W282 HydrophobicContact CE2-CH2 3.91Å; F221-W282 AromaticContact CE2-CZ3 3.76Å; F221-W282 HydrophobicContact CE2-CZ3 3.76Å; F221-W282 AromaticContact CZ-CH2 3.94Å; F221-W282 HydrophobicContact CZ-CH2 3.94Å; F221-W282 AromaticContact CZ-CZ3 3.75Å; F221-W282 HydrophobicContact CZ-CZ3 3.75Å; M247-W282 HydrophobicContact CE-CH2 3.45Å; M247-W282 VanDerWaalsContact CE-CH2 3.45Å; M247-W282 HydrophobicContact CE-CZ2 3.98Å; M247-W282 HydrophobicContact CE-CZ3 4.38Å; Q279-W282 VanDerWaalsContact O-CD1 3.23Å; Q279-W282 PolarHBondContact O-NE1 3.36Å; Q280-W282 PolarHBondContact O-N 2.77Å; W282-T284 PolarHBondContact O-N 3.45Å |
| 283 | V | 85.6 | Confident | 87 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | trans | -75.4 | 114.9 | 176.5 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | F252 L276 Q280 A281 V286 Y335 | F252-V283 HydrophobicContact CE1-CB 4.17Å; F252-V283 HydrophobicContact CE1-CG1 4.04Å; F252-V283 HydrophobicContact CE1-CG2 4Å; F252-V283 HydrophobicContact CZ-CG1 4.1Å; F252-V283 HydrophobicContact CZ-CG2 4.32Å; L276-V283 HydrophobicContact CD1-CB 4.13Å; Q280-V283 PolarHBondContact O-N 2.87Å; A281-V283 VanDerWaalsContact C-N 3.33Å; V283-V286 HydrophobicContact CG1-CG1 3.93Å; V283-Y335 HydrophobicContact CG1-CD2 4.32Å | ||
| 284 | T | 76.8 | Confident | 86.8 | Confident | 98 Ų | 98 | 36.6 Ų | 36.6 | 60% | 0.601 | 19% | 0.189 | S | C | * | . | trans | -86.2 | -32.9 | -172.4 | 48.8 | 0 | 0 | 0 | 0 | 114.3 | W282 M311 R312 | W282-T284 PolarHBondContact O-N 3.45Å; T284-M311 CarbonylContact O-C 3.51Å; T284-R312 PolarHBondContact O-N 3.05Å | ||
| 285 | T | 83.1 | Confident | 86.3 | Confident | 33 Ų | 33 | 38.4 Ų | 38.4 | 20% | 0.202 | 21% | 0.206 | C | C | . | . | trans | -119.3 | 113.7 | -172.2 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | L310 M311 Y335 | T285-L310 WeakPolarHBondContact CA-O 3.37Å; T285-M311 HydrophobicContact CG2-SD 3.78Å; T285-M311 PolarHBondContact OG1-SD 2.98Å; T285-M311 VanDerWaalsContact OG1-SD 3.41Å; T285-Y335 WeakPolarHBondContact O-CD2 3.46Å | ||
| 286 | V | 87.2 | Confident | 85.5 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 154.4 | 173.7 | -66 | 0 | 0 | 0 | 0 | 111.2 | F252 W274 L276 V283 L310 V333 | F252-V286 HydrophobicContact CE1-CG1 4.27Å; F252-V286 HydrophobicContact CZ-CG1 4.48Å; W274-V286 HydrophobicContact CH2-CG2 3.59Å; W274-V286 HydrophobicContact CZ3-CG2 4.13Å; L276-V286 HydrophobicContact CD1-CG1 4.48Å; V283-V286 HydrophobicContact CG1-CG1 3.93Å; V286-L310 PolarHBondContact N-O 2.83Å; V286-L310 PolarHBondContact O-N 3.45Å; V286-V333 HydrophobicContact CB-CB 4.49Å; V286-V333 HydrophobicContact CG2-CG1 4.11Å |
| 287 | T | 87.4 | Confident | 84.9 | Confident | 24 Ų | 24 | 47.4 Ų | 47.4 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 134 | 164.3 | -51.2 | 0 | 0 | 0 | 0 | 108 | V333 R334 W340 | T287-V333 VanDerWaalsContact O-CA 3.31Å; T287-V333 WeakPolarHBondContact O-CA 3.46Å; T287-R334 PolarHBondContact N-O 2.71Å; T287-R334 PolarHBondContact O-N 2.99Å; T287-W340 HydrophobicContact CG2-CH2 4.04Å |
| 288 | L | 86.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 141.8 | 179.2 | -176.1 | 75.6 | 0 | 0 | 0 | 109.1 | W274 V307 L310 M316 I331 V333 | W274-L288 HydrophobicContact CD2-CD1 4.32Å; W274-L288 HydrophobicContact CD2-CD2 4.25Å; W274-L288 HydrophobicContact CE3-CD1 4.33Å; W274-L288 HydrophobicContact CG-CD2 4.39Å; W274-L288 HydrophobicContact CZ2-CD2 4.44Å; L288-V307 HydrophobicContact CB-CB 4.25Å; L288-V307 WeakPolarHBondContact O-CA 3.49Å; L288-V307 VanDerWaalsContact O-CB 3.29Å; L288-V307 WeakPolarHBondContact O-CB 3.48Å; L288-V307 PolarHBondContact O-N 3.09Å; L288-L310 HydrophobicContact CB-CD1 3.86Å; L288-L310 HydrophobicContact CD2-CD1 3.66Å; L288-L310 HydrophobicContact CG-CD1 4.41Å; L288-M316 HydrophobicContact CD2-SD 3.62Å; L288-I331 HydrophobicContact CD1-CB 4Å; L288-I331 HydrophobicContact CD1-CD1 4.22Å; L288-I331 HydrophobicContact CD1-CG2 4.23Å; L288-I331 HydrophobicContact CG-CG2 4.48Å; L288-V333 HydrophobicContact CD1-CG1 3.52Å |
| 289 | E | 89.2 | Confident | 83.5 | Confident | 18 Ų | 18 | 54.1 Ų | 54.1 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.5 | 175.6 | -171.6 | -173.5 | 147.7 | 0 | 0 | 109.3 | P304 I331 R332 W340 W343 | E289-P304 HydrophobicContact CG-CB 3.7Å; E289-P304 WeakPolarHBondContact OE1-CB 3.49Å; E289-P304 VanDerWaalsContact OE1-CG 3.29Å; E289-P304 WeakPolarHBondContact OE1-CG 3.28Å; E289-I331 VanDerWaalsContact O-CA 3.28Å; E289-I331 WeakPolarHBondContact O-CA 3.28Å; E289-R332 HydrophobicContact CB-CG 4.01Å; E289-R332 VanDerWaalsContact CD-NE 3.31Å; E289-R332 PolarHBondContact N-O 2.7Å; E289-R332 PolarHBondContact O-N 2.81Å; E289-R332 VanDerWaalsContact O-N 3.11Å; E289-R332 IonicContact OE1-CZ 3.82Å; E289-R332 IonicContact OE1-NE 2.65Å; E289-R332 PolarHBondContact OE1-NE 3.2Å; E289-R332 IonicContact OE1-NH2 3.2Å; E289-R332 PolarHBondContact OE1-NH2 3.33Å; E289-R332 IonicContact OE2-CZ 2.76Å; E289-R332 IonicContact OE2-NE 3.68Å; E289-R332 PolarHBondContact OE2-NE 2.86Å; E289-R332 IonicContact OE2-NH2 2.67Å; E289-R332 PolarHBondContact OE2-NH2 3.5Å; E289-W340 HydrophobicContact CB-CH2 3.7Å; E289-W340 HydrophobicContact CB-CZ2 4.46Å; E289-W340 HydrophobicContact CB-CZ3 3.8Å; E289-W340 WeakPolarHBondContact OE2-CH2 3.09Å; E289-W340 WeakPolarHBondContact OE2-CZ2 3.35Å; E289-W343 HydrophobicContact CG-CH2 4.2Å |
| 290 | V | 88.7 | Confident | 83 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 125.6 | -176.1 | -165.5 | 0 | 0 | 0 | 0 | 109.7 | L272 L292 V305 V307 M316 V318 I329 I331 | L272-V290 HydrophobicContact CD2-CG1 4.28Å; L272-V290 HydrophobicContact CD2-CG2 4.35Å; V290-L292 HydrophobicContact CG1-CD1 3.92Å; V290-L292 HydrophobicContact CG1-CG 4.43Å; V290-V305 PolarHBondContact N-O 3.01Å; V290-V305 PolarHBondContact O-N 2.93Å; V290-V307 HydrophobicContact CG2-CG2 3.78Å; V290-M316 HydrophobicContact CG2-CE 4.16Å; V290-M316 HydrophobicContact CG2-SD 3.86Å; V290-V318 HydrophobicContact CG1-CG2 4.36Å; V290-I329 HydrophobicContact CG1-CG2 3.99Å; V290-I331 HydrophobicContact CB-CG2 4.18Å; V290-I331 HydrophobicContact CG1-CG2 3.98Å; V290-I331 HydrophobicContact CG2-CG2 3.85Å |
| 291 | R | 88.8 | Confident | 81.8 | Confident | 56 Ų | 56 | 56 Ų | 56 | 21% | 0.211 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 144.6 | 168.4 | 72.9 | 177.3 | -176.2 | -165.1 | -0.7 | 111.1 | W300 Q330 W343 | R291-W300 HydrophobicContact CB-CE3 4.2Å; R291-W300 HydrophobicContact CG-CD2 4.19Å; R291-W300 HydrophobicContact CG-CE3 3.65Å; R291-W300 HydrophobicContact CG-CZ3 3.91Å; R291-Q330 HydrophobicContact CG-CB 4.07Å; R291-Q330 PolarHBondContact N-O 3.19Å; R291-Q330 PolarHBondContact O-N 3.39Å; R291-Q330 VanDerWaalsContact O-N 3.12Å; R291-W343 HydrophobicContact CB-CH2 3.93Å; R291-W343 HydrophobicContact CB-CZ3 3.99Å; R291-W343 HydrophobicContact CG-CD2 4.49Å; R291-W343 HydrophobicContact CG-CE3 3.91Å; R291-W343 HydrophobicContact CG-CH2 3.82Å; R291-W343 HydrophobicContact CG-CZ2 4.38Å; R291-W343 HydrophobicContact CG-CZ3 3.55Å |
| 292 | L | 88.8 | Confident | 80.4 | Confident | 12 Ų | 12 | 61.5 Ų | 61.5 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 148.3 | -177.7 | -59.8 | 96.2 | 0 | 0 | 0 | 110.7 | V290 W300 S301 V305 V318 L321 Y327 H328 I329 | V290-L292 HydrophobicContact CG1-CD1 3.92Å; V290-L292 HydrophobicContact CG1-CG 4.43Å; L292-W300 VanDerWaalsContact C-CE3 3.48Å; L292-S301 PolarHBondContact N-OG 2.84Å; L292-S301 WeakPolarHBondContact O-CB 3.3Å; L292-S301 PolarHBondContact O-N 3.12Å; L292-S301 PolarHBondContact O-OG 3.12Å; L292-V305 HydrophobicContact CD1-CG2 4.47Å; L292-V318 HydrophobicContact CD1-CG1 3.99Å; L292-V318 HydrophobicContact CD2-CG1 4.02Å; L292-L321 HydrophobicContact CD2-CD1 4.03Å; L292-L321 HydrophobicContact CD2-CD2 3.98Å; L292-Y327 HydrophobicContact CB-CD1 4.19Å; L292-Y327 HydrophobicContact CD2-CD1 4.26Å; L292-H328 WeakPolarHBondContact CA-O 3.43Å; L292-I329 HydrophobicContact CD2-CD1 4.15Å; L292-I329 HydrophobicContact CD2-CG1 3.7Å; L292-I329 HydrophobicContact CG-CG1 3.98Å |
| 293 | K | 88.4 | Confident | 79.2 | Confident | 54 Ų | 54 | 64.9 Ų | 64.9 | 24% | 0.235 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 147.8 | 163 | 65.7 | 176.9 | -177.2 | 164.3 | 0 | 109.8 | W300 Y327 H328 | K293-W300 HydrophobicContact CB-CD2 4.19Å; K293-W300 HydrophobicContact CB-CE3 3.85Å; K293-W300 HydrophobicContact CB-CZ3 4.25Å; K293-W300 HydrophobicContact CD-CD2 4Å; K293-W300 HydrophobicContact CD-CE3 4.19Å; K293-W300 HydrophobicContact CD-CH2 4.12Å; K293-W300 HydrophobicContact CD-CZ2 3.93Å; K293-W300 HydrophobicContact CD-CZ3 4.26Å; K293-W300 HydrophobicContact CG-CD2 4.13Å; K293-W300 HydrophobicContact CG-CE3 3.81Å; K293-W300 HydrophobicContact CG-CH2 4.03Å; K293-W300 HydrophobicContact CG-CZ2 4.33Å; K293-W300 HydrophobicContact CG-CZ3 3.76Å; K293-Y327 CarbonylContact O-C 3.54Å; K293-Y327 VanDerWaalsContact O-CA 3.29Å; K293-Y327 WeakPolarHBondContact O-CA 3.12Å; K293-H328 HydrophobicContact CG-CB 3.78Å; K293-H328 PolarHBondContact N-O 2.92Å; K293-H328 PolarHBondContact O-N 3.14Å |
| 294 | T | 86.6 | Confident | 78 | Confident | 39 Ų | 39 | 66.7 Ų | 66.7 | 24% | 0.239 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 153.3 | 167.4 | 53.7 | 0 | 0 | 0 | 0 | 109.6 | N296 S297 T325 E326 Y327 | T294-N296 PolarHBondContact O-N 3.11Å; T294-N296 VanDerWaalsContact O-N 3.15Å; T294-S297 PolarHBondContact O-N 3.26Å; T294-S297 WeakPolarHBondContact OG1-CB 3.47Å; T294-T325 HydrophobicContact CG2-CG2 3.71Å; T294-E326 WeakPolarHBondContact CA-O 3.44Å; T294-Y327 HydrophobicContact CG2-CD1 4.09Å; T294-Y327 HydrophobicContact CG2-CE1 3.52Å |
| 295 | A | 78.5 | Confident | 77.5 | Confident | 44 Ų | 44 | 65.2 Ų | 65.2 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -33.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | S297 E326 | A295-S297 VanDerWaalsContact C-N 3.34Å; A295-S297 PolarHBondContact O-N 3.16Å; A295-E326 HydrophobicContact CB-CB 4.18Å; A295-E326 HydrophobicContact CB-CG 4.28Å; A295-E326 PolarHBondContact N-O 2.98Å |
| 296 | N | 72.4 | Confident | 76.2 | Confident | 162 Ų | 162 | 68.8 Ų | 68.8 | 87% | 0.866 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -7.6 | 179.9 | -60.7 | 11 | 0 | 0 | 0 | 113.9 | T294 | T294-N296 PolarHBondContact O-N 3.11Å; T294-N296 VanDerWaalsContact O-N 3.15Å |
| 297 | S | 76.5 | Confident | 75 | Confident | 41 Ų | 41 | 69.7 Ų | 69.7 | 29% | 0.287 | 36% | 0.363 | S | S | . | . | trans | -96.2 | 129 | -179.5 | -173.9 | 0 | 0 | 0 | 0 | 111.8 | T294 A295 Q299 | T294-S297 PolarHBondContact O-N 3.26Å; T294-S297 WeakPolarHBondContact OG1-CB 3.47Å; A295-S297 VanDerWaalsContact C-N 3.34Å; A295-S297 PolarHBondContact O-N 3.16Å; S297-Q299 VanDerWaalsContact C-N 3.33Å; S297-Q299 PolarHBondContact OG-N 3.11Å; S297-Q299 VanDerWaalsContact OG-N 3.14Å; S297-Q299 PolarHBondContact OG-O 3.22Å | ||
| 298 | K | 70.8 | Confident | 73.7 | Confident | 211 Ų | 211 | 77.2 Ų | 77.2 | 92% | 0.917 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -73.6 | -27.8 | 166.9 | -64.9 | -171.3 | 178.5 | -175.5 | 0 | 112 | ||
| 299 | Q | 73.3 | Confident | 72.3 | Confident | 114 Ų | 114 | 84 Ų | 84 | 53% | 0.533 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -95.9 | 144.8 | -176.8 | -165.4 | 177.9 | -26.5 | 0 | 0 | 111.5 | S297 E302 | S297-Q299 VanDerWaalsContact C-N 3.33Å; S297-Q299 PolarHBondContact OG-N 3.11Å; S297-Q299 VanDerWaalsContact OG-N 3.14Å; S297-Q299 PolarHBondContact OG-O 3.22Å; Q299-E302 PolarHBondContact NE2-OE1 3.41Å |
| 300 | W | 75.3 | Confident | 71.1 | Confident | 65 Ų | 65 | 84.8 Ų | 84.8 | 25% | 0.246 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 162.2 | 170.7 | -67.2 | 95.1 | 0 | 0 | 0 | 111.5 | R291 L292 K293 E302 H328 Q330 | R291-W300 HydrophobicContact CB-CE3 4.2Å; R291-W300 HydrophobicContact CG-CD2 4.19Å; R291-W300 HydrophobicContact CG-CE3 3.65Å; R291-W300 HydrophobicContact CG-CZ3 3.91Å; L292-W300 VanDerWaalsContact C-CE3 3.48Å; K293-W300 HydrophobicContact CB-CD2 4.19Å; K293-W300 HydrophobicContact CB-CE3 3.85Å; K293-W300 HydrophobicContact CB-CZ3 4.25Å; K293-W300 HydrophobicContact CD-CD2 4Å; K293-W300 HydrophobicContact CD-CE3 4.19Å; K293-W300 HydrophobicContact CD-CH2 4.12Å; K293-W300 HydrophobicContact CD-CZ2 3.93Å; K293-W300 HydrophobicContact CD-CZ3 4.26Å; K293-W300 HydrophobicContact CG-CD2 4.13Å; K293-W300 HydrophobicContact CG-CE3 3.81Å; K293-W300 HydrophobicContact CG-CH2 4.03Å; K293-W300 HydrophobicContact CG-CZ2 4.33Å; K293-W300 HydrophobicContact CG-CZ3 3.76Å; W300-E302 PolarHBondContact O-N 2.82Å; W300-H328 HydrophobicContact CH2-CB 4.3Å; W300-Q330 HydrophobicContact CH2-CB 4.46Å; W300-Q330 HydrophobicContact CH2-CG 3.92Å; W300-Q330 VanDerWaalsContact CH2-OE1 3.29Å |
| 301 | S | 62.5 | Low | 69.3 | Low | 45 Ų | 45 | 91.5 Ų | 91.5 | 32% | 0.315 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -50.2 | 120.6 | 167.8 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | L292 E303 | L292-S301 PolarHBondContact N-OG 2.84Å; L292-S301 WeakPolarHBondContact O-CB 3.3Å; L292-S301 PolarHBondContact O-N 3.12Å; L292-S301 PolarHBondContact O-OG 3.12Å; S301-E303 VanDerWaalsContact C-N 3.27Å; S301-E303 PolarHBondContact O-N 2.79Å |
| 302 | E | 55.3 | Low | 68.1 | Low | 166 Ų | 166 | 96.7 Ų | 96.7 | 78% | 0.776 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -60.8 | -36.9 | -173.8 | -63.2 | -179.9 | 149.1 | 0 | 0 | 112.2 | Q299 W300 | Q299-E302 PolarHBondContact NE2-OE1 3.41Å; W300-E302 PolarHBondContact O-N 2.82Å |
| 303 | E | 60.5 | Low | 67.1 | Low | 170 Ų | 170 | 99.5 Ų | 99.5 | 79% | 0.794 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -101.1 | 115.3 | 164.8 | -64.6 | -175.5 | 165.3 | 0 | 0 | 109.8 | S301 | S301-E303 VanDerWaalsContact C-N 3.27Å; S301-E303 PolarHBondContact O-N 2.79Å |
| 304 | P | 61.9 | Low | 66.4 | Low | 45 Ų | 45 | 104.5 Ų | 104.5 | 29% | 0.292 | 51% | 0.509 | S | S | . | . | trans | -63.5 | 144.1 | 163.5 | -19.5 | 33.2 | 0 | 0 | 0 | 110.2 | E289 P306 | E289-P304 HydrophobicContact CG-CB 3.7Å; E289-P304 WeakPolarHBondContact OE1-CB 3.49Å; E289-P304 VanDerWaalsContact OE1-CG 3.29Å; E289-P304 WeakPolarHBondContact OE1-CG 3.28Å; P304-P306 VanDerWaalsContact O-CD 3.23Å; P304-P306 WeakPolarHBondContact O-CD 3.31Å | ||
| 305 | V | 65.3 | Low | 66.2 | Low | 68 Ų | 68 | 106.2 Ų | 106.2 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 115.3 | -179.9 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | V290 L292 V307 | V290-V305 PolarHBondContact N-O 3.01Å; V290-V305 PolarHBondContact O-N 2.93Å; L292-V305 HydrophobicContact CD1-CG2 4.47Å; V305-V307 PolarHBondContact O-N 2.61Å |
| 306 | P | 56.1 | Low | 66.4 | Low | 108 Ų | 108 | 105.4 Ų | 105.4 | 70% | 0.701 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 116.6 | -179.9 | 31.9 | -31.8 | 0 | 0 | 0 | 109.9 | P304 | P304-P306 VanDerWaalsContact O-CD 3.23Å; P304-P306 WeakPolarHBondContact O-CD 3.31Å |
| 307 | V | 62.7 | Low | 67.1 | Low | 22 Ų | 22 | 102 Ų | 102 | 13% | 0.133 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 111.9 | 179.6 | -169.7 | 0 | 0 | 0 | 0 | 108.9 | L288 V290 V305 L310 M316 | L288-V307 HydrophobicContact CB-CB 4.25Å; L288-V307 WeakPolarHBondContact O-CA 3.49Å; L288-V307 VanDerWaalsContact O-CB 3.29Å; L288-V307 WeakPolarHBondContact O-CB 3.48Å; L288-V307 PolarHBondContact O-N 3.09Å; V290-V307 HydrophobicContact CG2-CG2 3.78Å; V305-V307 PolarHBondContact O-N 2.61Å; V307-L310 HydrophobicContact CG1-CD1 4.05Å; V307-L310 HydrophobicContact CG1-CD2 4.11Å; V307-L310 HydrophobicContact CG1-CG 4.09Å; V307-M316 HydrophobicContact CB-CE 4.48Å; V307-M316 HydrophobicContact CG1-CE 4.08Å; V307-M316 HydrophobicContact CG1-SD 4.3Å; V307-M316 HydrophobicContact CG2-CE 3.54Å; V307-M316 HydrophobicContact CG2-SD 3.96Å |
| 308 | Q | 60 | Low | 67.7 | Low | 181 Ų | 181 | 100.5 Ų | 100.5 | 85% | 0.846 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 142.3 | -177.5 | -70.8 | 177.6 | -32.3 | 0 | 0 | 111.9 | L310 | Q308-L310 PolarHBondContact O-N 3.14Å; Q308-L310 VanDerWaalsContact O-N 3.15Å |
| 309 | R | 57.8 | Low | 68.5 | Low | 144 Ų | 144 | 92.3 Ų | 92.3 | 54% | 0.543 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -15.2 | 100.1 | -177.4 | -65.8 | 179.4 | 176.1 | -153.1 | -9.2 | 114.5 | M311 | R309-M311 PolarHBondContact O-N 2.8Å |
| 310 | L | 62.1 | Low | 69.1 | Low | 34 Ų | 34 | 99 Ų | 99 | 18% | 0.178 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 107.1 | 176 | -67.7 | 176.4 | 0 | 0 | 0 | 109.5 | W274 T285 V286 L288 V307 Q308 R312 | W274-L310 HydrophobicContact CZ2-CB 4.26Å; W274-L310 HydrophobicContact CZ2-CD1 3.61Å; T285-L310 WeakPolarHBondContact CA-O 3.37Å; V286-L310 PolarHBondContact N-O 2.83Å; V286-L310 PolarHBondContact O-N 3.45Å; L288-L310 HydrophobicContact CB-CD1 3.86Å; L288-L310 HydrophobicContact CD2-CD1 3.66Å; L288-L310 HydrophobicContact CG-CD1 4.41Å; V307-L310 HydrophobicContact CG1-CD1 4.05Å; V307-L310 HydrophobicContact CG1-CD2 4.11Å; V307-L310 HydrophobicContact CG1-CG 4.09Å; Q308-L310 PolarHBondContact O-N 3.14Å; Q308-L310 VanDerWaalsContact O-N 3.15Å; L310-R312 PolarHBondContact O-N 2.82Å; L310-R312 VanDerWaalsContact O-N 3.11Å |
| 311 | M | 52.6 | Low | 69.8 | Low | 140 Ų | 140 | 97.1 Ų | 97.1 | 69% | 0.69 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -72.6 | 8.4 | 178 | -58.7 | -77.7 | -83.7 | 0 | 0 | 113.8 | T284 T285 R309 | T284-M311 CarbonylContact O-C 3.51Å; T285-M311 HydrophobicContact CG2-SD 3.78Å; T285-M311 PolarHBondContact OG1-SD 2.98Å; T285-M311 VanDerWaalsContact OG1-SD 3.41Å; R309-M311 PolarHBondContact O-N 2.8Å |
| 312 | R | 62.7 | Low | 71 | Confident | 165 Ų | 165 | 98.8 Ų | 98.8 | 62% | 0.623 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -169.1 | 148.2 | -178.5 | -153.2 | 158.6 | 177.6 | 163.9 | -0.3 | 110.5 | T284 L310 R314 | T284-R312 PolarHBondContact O-N 3.05Å; L310-R312 PolarHBondContact O-N 2.82Å; L310-R312 VanDerWaalsContact O-N 3.11Å; R312-R314 HydrophobicContact CB-CG 4.13Å; R312-R314 HydrophobicContact CG-CG 4.25Å; R312-R314 PolarHBondContact O-N 2.87Å |
| 313 | Q | 67.3 | Low | 72.7 | Confident | 72 Ų | 72 | 92.7 Ų | 92.7 | 34% | 0.336 | 44% | 0.438 | S | S | . | . | trans | -69.9 | 66.8 | 167.4 | -61.1 | 177.8 | 16.6 | 0 | 0 | 111 | W274 | W274-Q313 HydrophobicContact CH2-CG 4.01Å; W274-Q313 HydrophobicContact CZ3-CG 4.13Å | ||
| 314 | R | 74.4 | Confident | 74 | Confident | 159 Ų | 159 | 85.5 Ų | 85.5 | 60% | 0.6 | 41% | 0.409 | S | S | * | . | trans | -96.7 | 148.2 | 176.1 | -83.1 | 179.7 | 172.2 | -179.1 | -1.2 | 110.4 | W274 R312 M316 | W274-R314 PolarHBondContact NE1-O 2.92Å; W274-R314 VanDerWaalsContact NE1-O 3.16Å; R312-R314 HydrophobicContact CB-CG 4.13Å; R312-R314 HydrophobicContact CG-CG 4.25Å; R312-R314 PolarHBondContact O-N 2.87Å; R314-M316 PolarHBondContact O-N 2.83Å | ||
| 315 | P | 81.4 | Confident | 75.3 | Confident | 75 Ų | 75 | 85 Ų | 85 | 49% | 0.487 | 41% | 0.406 | S | S | . | . | trans | -56.3 | 133.8 | 166.1 | -20.6 | 32.3 | 0 | 0 | 0 | 110.2 | R271 L272 S273 | R271-P315 HydrophobicContact CG-CB 4.1Å; L272-P315 CarbonylContact O-C 3.43Å; L272-P315 VanDerWaalsContact O-CA 3.28Å; L272-P315 WeakPolarHBondContact O-CA 3.41Å; S273-P315 WeakPolarHBondContact OG-CG 3.46Å | ||
| 316 | M | 83.4 | Confident | 76.5 | Confident | 27 Ų | 27 | 85.7 Ų | 85.7 | 13% | 0.133 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 161.7 | 176.4 | 66.6 | 164.2 | -64.2 | 0 | 0 | 110.9 | R271 L272 L288 V290 V307 R314 V318 | R271-M316 WeakPolarHBondContact CA-O 3.1Å; L272-M316 HydrophobicContact CB-CG 3.98Å; L272-M316 HydrophobicContact CD2-CG 4.24Å; L272-M316 HydrophobicContact CD2-SD 4.1Å; L272-M316 HydrophobicContact CG-CG 4.26Å; L272-M316 PolarHBondContact N-O 2.59Å; L272-M316 PolarHBondContact O-N 3.02Å; L288-M316 HydrophobicContact CD2-SD 3.62Å; V290-M316 HydrophobicContact CG2-CE 4.16Å; V290-M316 HydrophobicContact CG2-SD 3.86Å; V307-M316 HydrophobicContact CB-CE 4.48Å; V307-M316 HydrophobicContact CG1-CE 4.08Å; V307-M316 HydrophobicContact CG1-SD 4.3Å; V307-M316 HydrophobicContact CG2-CE 3.54Å; V307-M316 HydrophobicContact CG2-SD 3.96Å; R314-M316 PolarHBondContact O-N 2.83Å; M316-V318 HydrophobicContact CE-CG2 3.64Å; M316-V318 HydrophobicContact SD-CG2 4.41Å |
| 317 | E | 87.4 | Confident | 78.1 | Confident | 89 Ų | 89 | 81.4 Ų | 81.4 | 42% | 0.416 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 137 | 169.8 | 59.4 | 175 | -147.9 | 0 | 0 | 111.5 | R266 L270 | R266-E317 IonicContact CZ-OE1 2.71Å; R266-E317 IonicContact CZ-OE2 2.72Å; R266-E317 IonicContact NH1-OE1 3.73Å; R266-E317 PolarHBondContact NH1-OE1 2.99Å; R266-E317 IonicContact NH1-OE2 3.2Å; R266-E317 PolarHBondContact NH1-OE2 3.23Å; L270-E317 CarbonylContact O-C 3.57Å; L270-E317 WeakPolarHBondContact O-CA 3.12Å |
| 318 | V | 88.6 | Confident | 79.5 | Confident | 10 Ų | 10 | 82.7 Ų | 82.7 | 6% | 0.061 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 112.8 | 171.1 | -176.6 | 0 | 0 | 0 | 0 | 107.2 | C269 L270 V290 L292 M316 L321 | C269-V318 CarbonylContact C-O 3.59Å; C269-V318 VanDerWaalsContact CA-O 3.28Å; C269-V318 WeakPolarHBondContact CA-O 3.49Å; L270-V318 PolarHBondContact N-O 2.87Å; L270-V318 PolarHBondContact O-N 2.99Å; V290-V318 HydrophobicContact CG1-CG2 4.36Å; L292-V318 HydrophobicContact CD1-CG1 3.99Å; L292-V318 HydrophobicContact CD2-CG1 4.02Å; M316-V318 HydrophobicContact CE-CG2 3.64Å; M316-V318 HydrophobicContact SD-CG2 4.41Å; V318-L321 HydrophobicContact CG1-CD1 4.26Å |
| 319 | C | 87.7 | Confident | 80.9 | Confident | 40 Ų | 40 | 74.1 Ų | 74.1 | 27% | 0.27 | 34% | 0.339 | S | S | . | . | trans | -117.9 | -179.9 | -171.2 | -73.1 | 0 | 0 | 0 | 0 | 112.5 | G268 C269 L321 | G268-C319 CarbonylContact O-C 3.57Å; G268-C319 WeakPolarHBondContact O-CA 3.49Å; C269-C319 HydrophobicContact CB-CB 4.16Å; C269-C319 WeakPolarHBondContact CB-SG 3.44Å; C269-C319 WeakPolarHBondContact SG-CB 3.29Å; C269-C319 CovalentContact SG-SG 2.04Å; C269-C319 PolarHBondContact SG-SG 2.67Å; C319-L321 VanDerWaalsContact C-N 3.29Å | ||
| 320 | R | 86.4 | Confident | 82.6 | Confident | 254 Ų | 254 | 68.6 Ų | 68.6 | 96% | 0.958 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 69.4 | 22 | -174 | -51.3 | 177.9 | 177.2 | 171 | -1.3 | 113.8 | G268 | G268-R320 PolarHBondContact O-N 2.96Å; G268-R320 VanDerWaalsContact O-N 3.13Å |
| 321 | L | 88.8 | Confident | 83.9 | Confident | 25 Ų | 25 | 67 Ų | 67 | 13% | 0.131 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -85 | 156.8 | 177.5 | -55.7 | 178.4 | 0 | 0 | 0 | 111.4 | G268 L270 L292 V318 C319 Y327 T351 | G268-L321 VanDerWaalsContact CA-O 3.3Å; G268-L321 WeakPolarHBondContact CA-O 3.15Å; G268-L321 PolarHBondContact O-N 3.35Å; L270-L321 HydrophobicContact CB-CD1 4.33Å; L270-L321 HydrophobicContact CD1-CD1 3.63Å; L270-L321 HydrophobicContact CG-CD1 3.76Å; L292-L321 HydrophobicContact CD2-CD1 4.03Å; L292-L321 HydrophobicContact CD2-CD2 3.98Å; V318-L321 HydrophobicContact CG1-CD1 4.26Å; C319-L321 VanDerWaalsContact C-N 3.29Å; L321-Y327 HydrophobicContact CB-CE2 3.82Å; L321-Y327 HydrophobicContact CD1-CD2 4.39Å; L321-Y327 HydrophobicContact CD1-CE2 4.4Å; L321-Y327 HydrophobicContact CD2-CE1 4.09Å; L321-Y327 HydrophobicContact CG-CE2 4.46Å; L321-T351 HydrophobicContact CB-CG2 3.89Å; L321-T351 HydrophobicContact CD1-CG2 4.22Å |
| 322 | L | 88.4 | Confident | 85.8 | Confident | 80 Ų | 80 | 63 Ų | 63 | 42% | 0.419 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 140.9 | 174.9 | -61.4 | 175.7 | 0 | 0 | 0 | 110.2 | T325 Y327 T351 | L322-T325 HydrophobicContact CB-CG2 4.31Å; L322-T325 WeakPolarHBondContact CB-OG1 3.46Å; L322-T325 WeakPolarHBondContact O-CB 3.4Å; L322-Y327 WeakPolarHBondContact CB-OH 3.46Å; L322-Y327 PolarHBondContact N-OH 2.87Å; L322-T351 WeakPolarHBondContact O-CG2 3.19Å; L322-T351 PolarHBondContact O-OG1 3.09Å |
| 323 | H | 90.9 | Very high | 87.1 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 18% | 0.181 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 151.5 | 179.7 | -44.9 | 104.2 | 0 | 0 | 0 | 112.5 | T325 R354 N390 | H323-T325 PolarHBondContact O-N 2.93Å; H323-T325 PolarHBondContact O-OG1 3.15Å; H323-R354 HydrophobicContact CB-CB 4.05Å; H323-N390 HydrophobicContact CB-CB 3.83Å; H323-N390 PolarHBondContact ND1-OD1 3.15Å; H323-N390 CarbonylContact O-C 3.57Å |
| 324 | G | 88.6 | Confident | 88.2 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 19% | 0.186 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 25.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T351 L352 N390 | G324-T351 WeakPolarHBondContact CA-O 3.42Å; G324-T351 PolarHBondContact N-O 2.85Å; G324-T351 PolarHBondContact N-OG1 3.39Å; G324-L352 PolarHBondContact N-O 2.79Å; G324-N390 WeakPolarHBondContact CA-O 3.4Å; G324-N390 PolarHBondContact N-O 2.85Å |
| 325 | T | 88.9 | Confident | 88.8 | Confident | 36 Ų | 36 | 48.4 Ų | 48.4 | 22% | 0.221 | 23% | 0.23 | C | C | . | . | trans | -111.2 | 137.6 | -171.9 | -60.5 | 0 | 0 | 0 | 0 | 110.2 | T294 L322 H323 Y327 V350 T351 | T294-T325 HydrophobicContact CG2-CG2 3.71Å; L322-T325 HydrophobicContact CB-CG2 4.31Å; L322-T325 WeakPolarHBondContact CB-OG1 3.46Å; L322-T325 WeakPolarHBondContact O-CB 3.4Å; H323-T325 PolarHBondContact O-N 2.93Å; H323-T325 PolarHBondContact O-OG1 3.15Å; T325-Y327 HydrophobicContact CG2-CD2 4.27Å; T325-Y327 HydrophobicContact CG2-CE2 3.71Å; T325-Y327 WeakPolarHBondContact O-CD2 3.48Å; T325-V350 WeakPolarHBondContact O-CA 3.29Å; T325-T351 PolarHBondContact N-OG1 3.5Å; T325-T351 PolarHBondContact O-N 3.31Å; T325-T351 PolarHBondContact O-OG1 3.48Å | ||
| 326 | E | 91 | Very high | 89 | Confident | 81 Ų | 81 | 47.6 Ų | 47.6 | 38% | 0.379 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 129.6 | 174.2 | -174.8 | 174.7 | -154.8 | 0 | 0 | 111.4 | T294 A295 T348 V350 | T294-E326 WeakPolarHBondContact CA-O 3.44Å; A295-E326 HydrophobicContact CB-CB 4.18Å; A295-E326 HydrophobicContact CB-CG 4.28Å; A295-E326 PolarHBondContact N-O 2.98Å; E326-T348 WeakPolarHBondContact OE1-CB 3.42Å; E326-V350 HydrophobicContact CB-CG2 4.06Å; E326-V350 HydrophobicContact CG-CG2 4.2Å |
| 327 | Y | 90.1 | Very high | 89.1 | Confident | 18 Ų | 18 | 53 Ų | 53 | 7% | 0.071 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 135.4 | 177.1 | -73.3 | -87.4 | 0 | 0 | 0 | 111.3 | L270 L292 K293 T294 L321 L322 T325 T348 A349 T351 | L270-Y327 HydrophobicContact CD1-CD2 4.46Å; L292-Y327 HydrophobicContact CB-CD1 4.19Å; L292-Y327 HydrophobicContact CD2-CD1 4.26Å; K293-Y327 CarbonylContact O-C 3.54Å; K293-Y327 VanDerWaalsContact O-CA 3.29Å; K293-Y327 WeakPolarHBondContact O-CA 3.12Å; T294-Y327 HydrophobicContact CG2-CD1 4.09Å; T294-Y327 HydrophobicContact CG2-CE1 3.52Å; L321-Y327 HydrophobicContact CB-CE2 3.82Å; L321-Y327 HydrophobicContact CD1-CD2 4.39Å; L321-Y327 HydrophobicContact CD1-CE2 4.4Å; L321-Y327 HydrophobicContact CD2-CE1 4.09Å; L321-Y327 HydrophobicContact CG-CE2 4.46Å; L322-Y327 WeakPolarHBondContact CB-OH 3.46Å; L322-Y327 PolarHBondContact N-OH 2.87Å; T325-Y327 HydrophobicContact CG2-CD2 4.27Å; T325-Y327 HydrophobicContact CG2-CE2 3.71Å; T325-Y327 WeakPolarHBondContact O-CD2 3.48Å; Y327-T348 CarbonylContact O-C 3.48Å; Y327-T348 VanDerWaalsContact O-CA 3.3Å; Y327-T348 WeakPolarHBondContact O-CA 3.4Å; Y327-A349 PolarHBondContact N-O 3.22Å; Y327-A349 PolarHBondContact O-N 2.95Å; Y327-T351 HydrophobicContact CD2-CG2 4.13Å; Y327-T351 HydrophobicContact CE2-CG2 4.02Å |
| 328 | H | 91 | Very high | 89.3 | Confident | 49 Ų | 49 | 48.9 Ų | 48.9 | 23% | 0.227 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 134 | 160.9 | -67.5 | 56.9 | 0 | 0 | 0 | 108.5 | L292 K293 W300 N347 | L292-H328 WeakPolarHBondContact CA-O 3.43Å; K293-H328 HydrophobicContact CG-CB 3.78Å; K293-H328 PolarHBondContact N-O 2.92Å; K293-H328 PolarHBondContact O-N 3.14Å; W300-H328 HydrophobicContact CH2-CB 4.3Å; H328-N347 WeakPolarHBondContact CA-O 3.3Å |
| 329 | I | 90.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.8 | -172.6 | -67.1 | 157 | 0 | 0 | 0 | 109.7 | V260 L270 L272 V290 L292 S346 N347 A349 | V260-I329 HydrophobicContact CG1-CD1 3.78Å; L270-I329 HydrophobicContact CD1-CD1 3.67Å; L272-I329 HydrophobicContact CD2-CG2 4.41Å; V290-I329 HydrophobicContact CG1-CG2 3.99Å; L292-I329 HydrophobicContact CD2-CD1 4.15Å; L292-I329 HydrophobicContact CD2-CG1 3.7Å; L292-I329 HydrophobicContact CG-CG1 3.98Å; I329-S346 WeakPolarHBondContact O-CA 3.28Å; I329-N347 PolarHBondContact N-O 2.81Å; I329-N347 PolarHBondContact O-N 2.87Å; I329-N347 VanDerWaalsContact O-N 3.09Å; I329-A349 HydrophobicContact CD1-CB 4.49Å |
| 330 | Q | 91.9 | Very high | 89.7 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 13% | 0.126 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 151 | 168.5 | -70.5 | -178.4 | -64.3 | 0 | 0 | 110.5 | R291 W300 W343 S344 | R291-Q330 HydrophobicContact CG-CB 4.07Å; R291-Q330 PolarHBondContact N-O 3.19Å; R291-Q330 PolarHBondContact O-N 3.39Å; R291-Q330 VanDerWaalsContact O-N 3.12Å; W300-Q330 HydrophobicContact CH2-CB 4.46Å; W300-Q330 HydrophobicContact CH2-CG 3.92Å; W300-Q330 VanDerWaalsContact CH2-OE1 3.29Å; Q330-W343 HydrophobicContact CB-CB 4.46Å; Q330-W343 HydrophobicContact CB-CE3 3.93Å; Q330-S344 WeakPolarHBondContact CA-OG 3.45Å; Q330-S344 WeakPolarHBondContact CG-O 3.48Å; Q330-S344 PolarHBondContact NE2-O 3.42Å |
| 331 | I | 90.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 153.3 | 178.2 | 45.9 | 165.5 | 0 | 0 | 0 | 112.5 | P255 V257 L272 W274 L288 E289 V290 S344 | P255-I331 HydrophobicContact CB-CD1 4.03Å; P255-I331 HydrophobicContact CG-CB 4.41Å; P255-I331 HydrophobicContact CG-CD1 3.99Å; P255-I331 HydrophobicContact CG-CG1 3.95Å; V257-I331 HydrophobicContact CG2-CD1 3.76Å; V257-I331 HydrophobicContact CG2-CG1 3.71Å; L272-I331 HydrophobicContact CD2-CG2 3.78Å; W274-I331 HydrophobicContact CB-CD1 3.58Å; W274-I331 HydrophobicContact CG-CD1 4.24Å; L288-I331 HydrophobicContact CD1-CB 4Å; L288-I331 HydrophobicContact CD1-CD1 4.22Å; L288-I331 HydrophobicContact CD1-CG2 4.23Å; L288-I331 HydrophobicContact CG-CG2 4.48Å; E289-I331 VanDerWaalsContact O-CA 3.28Å; E289-I331 WeakPolarHBondContact O-CA 3.28Å; V290-I331 HydrophobicContact CB-CG2 4.18Å; V290-I331 HydrophobicContact CG1-CG2 3.98Å; V290-I331 HydrophobicContact CG2-CG2 3.85Å; I331-S344 PolarHBondContact N-OG 3.21Å; I331-S344 WeakPolarHBondContact O-CB 3.29Å; I331-S344 PolarHBondContact O-N 2.86Å |
| 332 | R | 91.9 | Very high | 90.3 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 21% | 0.211 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 158.1 | 168.1 | 64 | 176.9 | -175.7 | -170.9 | -9 | 110.9 | E289 W340 S341 W343 | E289-R332 HydrophobicContact CB-CG 4.01Å; E289-R332 VanDerWaalsContact CD-NE 3.31Å; E289-R332 PolarHBondContact N-O 2.7Å; E289-R332 PolarHBondContact O-N 2.81Å; E289-R332 VanDerWaalsContact O-N 3.11Å; E289-R332 IonicContact OE1-CZ 3.82Å; E289-R332 IonicContact OE1-NE 2.65Å; E289-R332 PolarHBondContact OE1-NE 3.2Å; E289-R332 IonicContact OE1-NH2 3.2Å; E289-R332 PolarHBondContact OE1-NH2 3.33Å; E289-R332 IonicContact OE2-CZ 2.76Å; E289-R332 IonicContact OE2-NE 3.68Å; E289-R332 PolarHBondContact OE2-NE 2.86Å; E289-R332 IonicContact OE2-NH2 2.67Å; E289-R332 PolarHBondContact OE2-NH2 3.5Å; R332-W340 HydrophobicContact CB-CE3 4.4Å; R332-W340 HydrophobicContact CG-CD2 4.29Å; R332-W340 HydrophobicContact CG-CE3 3.69Å; R332-W340 HydrophobicContact CG-CZ3 4.13Å; R332-S341 WeakPolarHBondContact CA-OG 3.41Å; R332-S341 WeakPolarHBondContact CB-OG 3.23Å; R332-W343 HydrophobicContact CB-CD2 4.26Å; R332-W343 HydrophobicContact CB-CE3 4.05Å; R332-W343 HydrophobicContact CB-CZ3 4.32Å; R332-W343 HydrophobicContact CG-CD2 4.2Å; R332-W343 HydrophobicContact CG-CE3 3.96Å; R332-W343 HydrophobicContact CG-CH2 3.85Å; R332-W343 HydrophobicContact CG-CZ2 4.08Å; R332-W343 HydrophobicContact CG-CZ3 3.78Å |
| 333 | V | 90.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 156.2 | -177.5 | -70.7 | 0 | 0 | 0 | 0 | 112.5 | F252 P255 W274 L276 V286 T287 L288 W340 S341 | F252-V333 HydrophobicContact CB-CG2 3.85Å; F252-V333 HydrophobicContact CG-CG2 4.28Å; P255-V333 HydrophobicContact CB-CG1 4.18Å; P255-V333 HydrophobicContact CB-CG2 4.38Å; P255-V333 HydrophobicContact CG-CG1 4.17Å; P255-V333 HydrophobicContact CG-CG2 4.27Å; W274-V333 HydrophobicContact CZ3-CG1 4.2Å; L276-V333 HydrophobicContact CD2-CG1 4.25Å; L276-V333 HydrophobicContact CD2-CG2 3.89Å; V286-V333 HydrophobicContact CB-CB 4.49Å; V286-V333 HydrophobicContact CG2-CG1 4.11Å; T287-V333 VanDerWaalsContact O-CA 3.31Å; T287-V333 WeakPolarHBondContact O-CA 3.46Å; L288-V333 HydrophobicContact CD1-CG1 3.52Å; V333-W340 VanDerWaalsContact C-CE3 3.47Å; V333-S341 PolarHBondContact N-OG 3.15Å; V333-S341 PolarHBondContact O-N 3.42Å |
| 334 | R | 90.2 | Very high | 90.6 | Very high | 53 Ų | 53 | 40.9 Ų | 40.9 | 20% | 0.2 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 153.1 | 161.6 | 65.4 | 176.1 | 175.9 | 142.4 | 10.7 | 111.8 | T287 Q337 S338 W340 | T287-R334 PolarHBondContact N-O 2.71Å; T287-R334 PolarHBondContact O-N 2.99Å; R334-Q337 PolarHBondContact NH1-O 3.26Å; R334-S338 WeakPolarHBondContact CB-O 3.49Å; R334-S338 WeakPolarHBondContact CD-O 3.47Å; R334-W340 HydrophobicContact CB-CD2 4.16Å; R334-W340 HydrophobicContact CB-CE3 3.88Å; R334-W340 HydrophobicContact CB-CZ3 4.27Å; R334-W340 HydrophobicContact CG-CD2 3.92Å; R334-W340 HydrophobicContact CG-CE3 3.73Å; R334-W340 HydrophobicContact CG-CH2 3.89Å; R334-W340 HydrophobicContact CG-CZ2 4.07Å; R334-W340 HydrophobicContact CG-CZ3 3.72Å |
| 335 | Y | 88.3 | Confident | 90.7 | Very high | 38 Ų | 38 | 46.9 Ų | 46.9 | 15% | 0.149 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -85.3 | 123.7 | 167 | -179.3 | -92.9 | 0 | 0 | 0 | 110.1 | M247 E248 V283 T285 Q337 S338 | M247-Y335 HydrophobicContact CB-CD1 4.48Å; M247-Y335 HydrophobicContact CB-CE1 4.39Å; M247-Y335 HydrophobicContact CG-CD1 3.44Å; M247-Y335 VanDerWaalsContact CG-CD1 3.44Å; M247-Y335 HydrophobicContact CG-CD2 4.13Å; M247-Y335 HydrophobicContact CG-CE1 3.54Å; M247-Y335 HydrophobicContact CG-CE2 4.24Å; M247-Y335 HydrophobicContact CG-CG 3.74Å; M247-Y335 HydrophobicContact SD-CD1 4.36Å; M247-Y335 HydrophobicContact SD-CD2 4.39Å; M247-Y335 HydrophobicContact SD-CG 4.09Å; E248-Y335 HydrophobicContact CG-CE1 4.48Å; V283-Y335 HydrophobicContact CG1-CD2 4.32Å; T285-Y335 WeakPolarHBondContact O-CD2 3.46Å; Y335-Q337 PolarHBondContact O-N 2.92Å; Y335-S338 WeakPolarHBondContact CA-OG 3.32Å; Y335-S338 PolarHBondContact N-OG 2.87Å; Y335-S338 VanDerWaalsContact O-CB 3.24Å; Y335-S338 WeakPolarHBondContact O-CB 3.41Å; Y335-S338 PolarHBondContact O-N 3.33Å; Y335-S338 PolarHBondContact O-OG 3.15Å |
| 336 | Q | 84.6 | Confident | 90.7 | Very high | 57 Ų | 57 | 47.8 Ų | 47.8 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 43.3 | -107.4 | -179.2 | -59.5 | -151.1 | 91.3 | 0 | 0 | 114.1 | E248 | E248-Q336 PolarHBondContact OE1-NE2 3.3Š|
| 337 | Q | 85.4 | Confident | 90.6 | Very high | 141 Ų | 141 | 46.6 Ų | 46.6 | 66% | 0.659 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -1.1 | 178.9 | -63.8 | -67 | 14.9 | 0 | 0 | 115.4 | R334 Y335 | R334-Q337 PolarHBondContact NH1-O 3.26Å; Y335-Q337 PolarHBondContact O-N 2.92Å |
| 338 | S | 91.1 | Very high | 90.7 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -56.2 | 162.3 | -177 | 62.1 | 0 | 0 | 0 | 0 | 115.1 | E248 A250 R334 Y335 W340 | E248-S338 WeakPolarHBondContact O-CA 3.29Å; E248-S338 WeakPolarHBondContact O-CB 3.49Å; A250-S338 WeakPolarHBondContact O-CB 3.43Å; R334-S338 WeakPolarHBondContact CB-O 3.49Å; R334-S338 WeakPolarHBondContact CD-O 3.47Å; Y335-S338 WeakPolarHBondContact CA-OG 3.32Å; Y335-S338 PolarHBondContact N-OG 2.87Å; Y335-S338 VanDerWaalsContact O-CB 3.24Å; Y335-S338 WeakPolarHBondContact O-CB 3.41Å; Y335-S338 PolarHBondContact O-N 3.33Å; Y335-S338 PolarHBondContact O-OG 3.15Å; S338-W340 PolarHBondContact O-N 3.04Å |
| 339 | P | 92.6 | Very high | 90.6 | Very high | 55 Ų | 55 | 47.3 Ų | 47.3 | 36% | 0.357 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -55.5 | 136.4 | 175 | -26.3 | 36.6 | 0 | 0 | 0 | 112.5 | L162 | L162-P339 HydrophobicContact CD1-CG 3.96Š|
| 340 | W | 92.6 | Very high | 90.7 | Very high | 66 Ų | 66 | 51 Ų | 51 | 25% | 0.25 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 143.6 | 174.8 | -71.2 | 105.8 | 0 | 0 | 0 | 112.2 | K251 T287 E289 R332 V333 R334 S338 | K251-W340 WeakPolarHBondContact CE-O 3.17Å; T287-W340 HydrophobicContact CG2-CH2 4.04Å; E289-W340 HydrophobicContact CB-CH2 3.7Å; E289-W340 HydrophobicContact CB-CZ2 4.46Å; E289-W340 HydrophobicContact CB-CZ3 3.8Å; E289-W340 WeakPolarHBondContact OE2-CH2 3.09Å; E289-W340 WeakPolarHBondContact OE2-CZ2 3.35Å; R332-W340 HydrophobicContact CB-CE3 4.4Å; R332-W340 HydrophobicContact CG-CD2 4.29Å; R332-W340 HydrophobicContact CG-CE3 3.69Å; R332-W340 HydrophobicContact CG-CZ3 4.13Å; V333-W340 VanDerWaalsContact C-CE3 3.47Å; R334-W340 HydrophobicContact CB-CD2 4.16Å; R334-W340 HydrophobicContact CB-CE3 3.88Å; R334-W340 HydrophobicContact CB-CZ3 4.27Å; R334-W340 HydrophobicContact CG-CD2 3.92Å; R334-W340 HydrophobicContact CG-CE3 3.73Å; R334-W340 HydrophobicContact CG-CH2 3.89Å; R334-W340 HydrophobicContact CG-CZ2 4.07Å; R334-W340 HydrophobicContact CG-CZ3 3.72Å; S338-W340 PolarHBondContact O-N 3.04Å |
| 341 | S | 94 | Very high | 90.7 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -59 | 161.2 | 161.6 | 76.8 | 0 | 0 | 0 | 0 | 110.6 | F252 P255 R332 V333 | F252-S341 WeakPolarHBondContact O-CB 3.25Å; P255-S341 WeakPolarHBondContact CD-OG 3.39Å; R332-S341 WeakPolarHBondContact CA-OG 3.41Å; R332-S341 WeakPolarHBondContact CB-OG 3.23Å; V333-S341 PolarHBondContact N-OG 3.15Å; V333-S341 PolarHBondContact O-N 3.42Å |
| 342 | E | 93.9 | Very high | 90.7 | Very high | 106 Ų | 106 | 52.5 Ų | 52.5 | 50% | 0.495 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 161.8 | 160.3 | -56.9 | -53.2 | 144.2 | 0 | 0 | 110.5 | K251 P254 | K251-E342 WeakPolarHBondContact CE-OE1 3.46Å; K251-E342 IonicContact NZ-OE1 2.73Å; K251-E342 PolarHBondContact NZ-OE1 3.35Å; P254-E342 HydrophobicContact CG-CB 4.23Å |
| 343 | W | 93.1 | Very high | 90.7 | Very high | 48 Ų | 48 | 52.5 Ų | 52.5 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 142.5 | 176.1 | -67.1 | 94.7 | 0 | 0 | 0 | 111.4 | E289 R291 Q330 R332 | E289-W343 HydrophobicContact CG-CH2 4.2Å; R291-W343 HydrophobicContact CB-CH2 3.93Å; R291-W343 HydrophobicContact CB-CZ3 3.99Å; R291-W343 HydrophobicContact CG-CD2 4.49Å; R291-W343 HydrophobicContact CG-CE3 3.91Å; R291-W343 HydrophobicContact CG-CH2 3.82Å; R291-W343 HydrophobicContact CG-CZ2 4.38Å; R291-W343 HydrophobicContact CG-CZ3 3.55Å; Q330-W343 HydrophobicContact CB-CB 4.46Å; Q330-W343 HydrophobicContact CB-CE3 3.93Å; R332-W343 HydrophobicContact CB-CD2 4.26Å; R332-W343 HydrophobicContact CB-CE3 4.05Å; R332-W343 HydrophobicContact CB-CZ3 4.32Å; R332-W343 HydrophobicContact CG-CD2 4.2Å; R332-W343 HydrophobicContact CG-CE3 3.96Å; R332-W343 HydrophobicContact CG-CH2 3.85Å; R332-W343 HydrophobicContact CG-CZ2 4.08Å; R332-W343 HydrophobicContact CG-CZ3 3.78Å |
| 344 | S | 93.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -58 | 165.4 | 171.8 | 71.7 | 0 | 0 | 0 | 0 | 112.4 | P255 Q330 I331 | P255-S344 WeakPolarHBondContact O-CB 3.35Å; Q330-S344 WeakPolarHBondContact CA-OG 3.45Å; Q330-S344 WeakPolarHBondContact CG-O 3.48Å; Q330-S344 PolarHBondContact NE2-O 3.42Å; I331-S344 PolarHBondContact N-OG 3.21Å; I331-S344 WeakPolarHBondContact O-CB 3.29Å; I331-S344 PolarHBondContact O-N 2.86Å |
| 345 | N | 90.4 | Very high | 90.8 | Very high | 143 Ų | 143 | 57.7 Ų | 57.7 | 77% | 0.765 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 149.8 | 159.5 | -68.8 | -12.3 | 0 | 0 | 0 | 110.5 | ||
| 346 | S | 87.7 | Confident | 91 | Very high | 55 Ų | 55 | 56 Ų | 56 | 39% | 0.385 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 123.8 | 179 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | I329 | I329-S346 WeakPolarHBondContact O-CA 3.28Š|
| 347 | N | 89.6 | Confident | 91.3 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.6 | 173.5 | -72.7 | 75.1 | 0 | 0 | 0 | 110.3 | V257 V260 H328 I329 | V257-N347 WeakPolarHBondContact CB-OD1 3.45Å; V257-N347 HydrophobicContact CG1-CB 3.98Å; V260-N347 HydrophobicContact CG2-CB 4.05Å; H328-N347 WeakPolarHBondContact CA-O 3.3Å; I329-N347 PolarHBondContact N-O 2.81Å; I329-N347 PolarHBondContact O-N 2.87Å; I329-N347 VanDerWaalsContact O-N 3.09Å |
| 348 | T | 91.3 | Very high | 91.5 | Very high | 73 Ų | 73 | 50 Ų | 50 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 147.4 | 173.9 | 52.5 | 0 | 0 | 0 | 0 | 112 | E326 Y327 | E326-T348 WeakPolarHBondContact OE1-CB 3.42Å; Y327-T348 CarbonylContact O-C 3.48Å; Y327-T348 VanDerWaalsContact O-CA 3.3Å; Y327-T348 WeakPolarHBondContact O-CA 3.4Å |
| 349 | A | 90.1 | Very high | 91.4 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 148.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V260 L270 Y327 I329 | V260-A349 HydrophobicContact CB-CB 3.87Å; V260-A349 HydrophobicContact CG1-CB 3.47Å; V260-A349 VanDerWaalsContact CG1-CB 3.47Å; L270-A349 HydrophobicContact CD1-CB 4.11Å; L270-A349 HydrophobicContact CD2-CB 4.18Å; Y327-A349 PolarHBondContact N-O 3.22Å; Y327-A349 PolarHBondContact O-N 2.95Å; I329-A349 HydrophobicContact CD1-CB 4.49Å |
| 350 | V | 91.3 | Very high | 91.4 | Very high | 78 Ų | 78 | 56 Ų | 56 | 47% | 0.473 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.9 | 177.2 | -170.8 | 0 | 0 | 0 | 0 | 109.3 | T325 E326 | T325-V350 WeakPolarHBondContact O-CA 3.29Å; E326-V350 HydrophobicContact CB-CG2 4.06Å; E326-V350 HydrophobicContact CG-CG2 4.2Å |
| 351 | T | 92 | Very high | 91.3 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -68 | 154.3 | 171.8 | 56 | 0 | 0 | 0 | 0 | 111.2 | L270 L321 L322 G324 T325 Y327 E353 | L270-T351 HydrophobicContact CD1-CG2 4.36Å; L270-T351 HydrophobicContact CD2-CG2 3.89Å; L270-T351 HydrophobicContact CG-CG2 3.96Å; L321-T351 HydrophobicContact CB-CG2 3.89Å; L321-T351 HydrophobicContact CD1-CG2 4.22Å; L322-T351 WeakPolarHBondContact O-CG2 3.19Å; L322-T351 PolarHBondContact O-OG1 3.09Å; G324-T351 WeakPolarHBondContact CA-O 3.42Å; G324-T351 PolarHBondContact N-O 2.85Å; G324-T351 PolarHBondContact N-OG1 3.39Å; T325-T351 PolarHBondContact N-OG1 3.5Å; T325-T351 PolarHBondContact O-N 3.31Å; T325-T351 PolarHBondContact O-OG1 3.48Å; Y327-T351 HydrophobicContact CD2-CG2 4.13Å; Y327-T351 HydrophobicContact CE2-CG2 4.02Å; T351-E353 PolarHBondContact O-N 2.86Å |
| 352 | L | 91.3 | Very high | 91.2 | Very high | 56 Ų | 56 | 56.3 Ų | 56.3 | 29% | 0.293 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -48.6 | 134.2 | 172.1 | -61.9 | -177 | 0 | 0 | 0 | 112.2 | A262 Y267 G324 | A262-L352 HydrophobicContact CB-CD2 3.63Å; A262-L352 HydrophobicContact CB-CG 3.91Å; Y267-L352 HydrophobicContact CD1-CB 3.93Å; Y267-L352 HydrophobicContact CD1-CD1 4.32Å; Y267-L352 HydrophobicContact CE1-CB 4.28Å; Y267-L352 HydrophobicContact CE1-CD1 4.38Å; G324-L352 PolarHBondContact N-O 2.79Å |
| 353 | E | 91.2 | Very high | 91.1 | Very high | 57 Ų | 57 | 51.8 Ų | 51.8 | 27% | 0.266 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 155.6 | 167.1 | -68.7 | -154.7 | 163.6 | 0 | 0 | 110.7 | Y267 T351 N390 G391 K392 A436 A437 | Y267-E353 VanDerWaalsContact CE1-O 3.29Å; Y267-E353 WeakPolarHBondContact CE1-O 3.41Å; T351-E353 PolarHBondContact O-N 2.86Å; E353-N390 VanDerWaalsContact CA-O 3.25Å; E353-N390 WeakPolarHBondContact CA-O 3.42Å; E353-G391 WeakPolarHBondContact OE1-CA 3.44Å; E353-K392 PolarHBondContact OE1-N 2.68Å; E353-A436 WeakPolarHBondContact OE2-CB 3.38Å; E353-A436 PolarHBondContact OE2-N 3.14Å; E353-A437 HydrophobicContact CB-CB 3.79Å |
| 354 | R | 90.6 | Very high | 90.8 | Very high | 129 Ų | 129 | 50 Ų | 50 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | trans | -139.7 | 152 | 171.3 | -175.3 | 175.8 | -179.8 | 178 | 0.4 | 107.8 | Y267 H323 N390 N435 | Y267-R354 HydrophobicContact CD1-CB 4.17Å; Y267-R354 HydrophobicContact CE1-CB 4.49Å; H323-R354 HydrophobicContact CB-CB 4.05Å; R354-N390 HydrophobicContact CB-CB 4.15Å; R354-N390 PolarHBondContact N-O 3.31Å; R354-N390 WeakPolarHBondContact O-CB 3.25Å; R354-N435 PolarHBondContact O-ND2 2.88Å | ||
| 355 | A | 91.6 | Very high | 90.3 | Very high | 32 Ų | 32 | 51.7 Ų | 51.7 | 26% | 0.264 | 28% | 0.278 | S | S | . | . | trans | -51.4 | 144.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | N390 | A355-N390 PolarHBondContact O-ND2 3.36Š| ||
| 356 | P | 93.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | trans | -63 | 144.2 | -175.1 | -19.5 | 31.7 | 0 | 0 | 0 | 111.5 | F387 R388 I393 A433 N435 G438 S440 | P356-F387 HydrophobicContact CB-CE2 4.22Å; P356-F387 HydrophobicContact CB-CZ 3.89Å; P356-R388 WeakPolarHBondContact CA-O 3.49Å; P356-I393 HydrophobicContact CB-CD1 4.14Å; P356-I393 HydrophobicContact CG-CD1 3.68Å; P356-A433 HydrophobicContact CB-CB 4.33Å; P356-A433 HydrophobicContact CG-CB 4.31Å; P356-N435 HydrophobicContact CG-CB 4.21Å; P356-G438 VanDerWaalsContact CD-O 3.3Å; P356-G438 WeakPolarHBondContact CD-O 3.42Å; P356-S440 WeakPolarHBondContact O-CA 3.39Å; P356-S440 WeakPolarHBondContact O-CB 3.45Å | ||
| 357 | S | 91.4 | Very high | 88.8 | Confident | 49 Ų | 49 | 45.6 Ų | 45.6 | 34% | 0.343 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -131.6 | 144.8 | -172.2 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | F387 R388 N390 | S357-F387 CarbonylContact O-C 3.55Å; S357-F387 WeakPolarHBondContact O-CA 3.5Å; S357-R388 PolarHBondContact N-O 3.42Å; S357-R388 PolarHBondContact O-N 3.37Å; S357-N390 PolarHBondContact OG-ND2 2.68Å |
| 358 | G | 88.6 | Confident | 87.5 | Confident | 23 Ų | 23 | 54.4 Ų | 54.4 | 24% | 0.237 | 27% | 0.274 | C | S | . | . | S | Bend | trans | 110.2 | -164.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 359 | R | 89.2 | Confident | 85.9 | Confident | 177 Ų | 177 | 57.8 Ų | 57.8 | 67% | 0.668 | 29% | 0.285 | S | S | * | . | trans | -117 | 157.2 | 179.1 | -61.4 | -175.8 | -175.8 | -163.9 | 1.8 | 111.1 | S384 | R359-S384 VanDerWaalsContact O-CB 3.25Å; R359-S384 WeakPolarHBondContact O-CB 3.32Å; R359-S384 PolarHBondContact O-N 2.77Å; R359-S384 PolarHBondContact O-OG 2.9Å | ||
| 360 | L | 91.9 | Very high | 84.3 | Confident | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 132.4 | 169 | -64.9 | 168.2 | 0 | 0 | 0 | 108.9 | W381 F387 Y396 L431 T443 | L360-W381 HydrophobicContact CB-CB 4.43Å; L360-F387 HydrophobicContact CD2-CD2 3.75Å; L360-F387 HydrophobicContact CD2-CE2 3.7Å; L360-F387 HydrophobicContact CD2-CG 4.2Å; L360-F387 HydrophobicContact CD2-CZ 4.11Å; L360-F387 HydrophobicContact CG-CD2 4.26Å; L360-F387 HydrophobicContact CG-CE2 4.13Å; L360-Y396 HydrophobicContact CD1-CD1 3.93Å; L360-Y396 HydrophobicContact CD1-CE1 3.82Å; L360-Y396 HydrophobicContact CD2-CE1 4.25Å; L360-L431 HydrophobicContact CB-CD2 4Å; L360-L431 HydrophobicContact CD1-CD2 3.71Å; L360-L431 HydrophobicContact CD1-CG 3.82Å; L360-T443 PolarHBondContact N-OG1 2.71Å; L360-T443 WeakPolarHBondContact O-CG2 3.48Å |
| 361 | N | 92 | Very high | 82.7 | Confident | 58 Ų | 58 | 66.5 Ų | 66.5 | 31% | 0.31 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 136.9 | 167 | -75.3 | 10 | 0 | 0 | 0 | 107.1 | W381 K382 S384 F501 | N361-W381 CarbonylContact O-C 3.55Å; N361-W381 WeakPolarHBondContact O-CA 3.47Å; N361-W381 WeakPolarHBondContact O-CB 3.37Å; N361-K382 HydrophobicContact CB-CG 4.28Å; N361-K382 PolarHBondContact N-O 2.88Å; N361-K382 PolarHBondContact O-N 2.92Å; N361-S384 VanDerWaalsContact OD1-CB 3.27Å; N361-S384 WeakPolarHBondContact OD1-CB 3.36Å; N361-F501 HydrophobicContact CB-CE2 4.35Å |
| 362 | S | 91.9 | Very high | 81.1 | Confident | 19 Ų | 19 | 74.8 Ų | 74.8 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 153.7 | -175.8 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | F380 H503 | S362-F380 CarbonylContact C-O 3.55Å; S362-F380 VanDerWaalsContact CA-O 3.24Å; S362-F380 WeakPolarHBondContact CA-O 3.5Å; S362-F380 WeakPolarHBondContact CB-O 3.16Å; S362-H503 PolarHBondContact O-CE1 2.79Å; S362-H503 PolarHBondContact O-NE2 3.35Å |
| 363 | W | 90.8 | Very high | 80 | Confident | 11 Ų | 11 | 81.4 Ų | 81.4 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 153.3 | 175.9 | 176.7 | -119.5 | 0 | 0 | 0 | 109 | L379 F380 V485 V487 F501 Y528 I535 | W363-L379 WeakPolarHBondContact O-CD1 3.27Å; W363-F380 PolarHBondContact N-O 2.79Å; W363-F380 PolarHBondContact O-N 2.8Å; W363-V485 HydrophobicContact CD2-CG1 4.04Å; W363-V485 HydrophobicContact CE3-CB 4.08Å; W363-V485 HydrophobicContact CE3-CG1 3.65Å; W363-V485 HydrophobicContact CE3-CG2 4.04Å; W363-V485 HydrophobicContact CH2-CB 4.06Å; W363-V485 HydrophobicContact CH2-CG1 4.23Å; W363-V485 HydrophobicContact CH2-CG2 4.46Å; W363-V485 HydrophobicContact CZ3-CB 3.65Å; W363-V485 HydrophobicContact CZ3-CG1 3.75Å; W363-V485 HydrophobicContact CZ3-CG2 3.64Å; W363-V487 HydrophobicContact CD2-CG2 4.26Å; W363-V487 HydrophobicContact CZ2-CG2 3.75Å; W363-F501 HydrophobicContact CB-CB 4.27Å; W363-F501 HydrophobicContact CB-CD1 3.6Å; W363-F501 HydrophobicContact CB-CD2 3.6Å; W363-F501 HydrophobicContact CB-CE1 3.76Å; W363-F501 HydrophobicContact CB-CE2 3.76Å; W363-F501 HydrophobicContact CB-CG 3.53Å; W363-F501 HydrophobicContact CB-CZ 3.84Å; W363-F501 HydrophobicContact CG-CB 4.3Å; W363-F501 HydrophobicContact CG-CD1 4.3Å; W363-F501 HydrophobicContact CG-CD2 4.42Å; W363-F501 HydrophobicContact CG-CG 4.08Å; W363-Y528 HydrophobicContact CH2-CD1 4.03Å; W363-Y528 AromaticContact CH2-CD2 3.86Å; W363-Y528 HydrophobicContact CH2-CD2 3.86Å; W363-Y528 HydrophobicContact CH2-CE2 4.36Å; W363-Y528 AromaticContact CH2-CG 3.67Å; W363-Y528 HydrophobicContact CH2-CG 3.67Å; W363-Y528 HydrophobicContact CZ2-CD1 4.1Å; W363-Y528 AromaticContact CZ2-CD2 3.63Å; W363-Y528 HydrophobicContact CZ2-CD2 3.63Å; W363-Y528 HydrophobicContact CZ2-CE1 4.16Å; W363-Y528 AromaticContact CZ2-CE2 3.69Å; W363-Y528 HydrophobicContact CZ2-CE2 3.69Å; W363-Y528 AromaticContact CZ2-CG 3.84Å; W363-Y528 HydrophobicContact CZ2-CG 3.84Å; W363-Y528 AromaticContact CZ2-CZ 3.96Å; W363-I535 HydrophobicContact CH2-CD1 3.78Å; W363-I535 HydrophobicContact CH2-CG2 4.27Å; W363-I535 HydrophobicContact CZ3-CD1 3.54Å |
| 364 | M | 87.6 | Confident | 79.2 | Confident | 9 Ų | 9 | 80 Ų | 80 | 4% | 0.044 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 151 | 174.6 | 70.2 | 177.1 | 68 | 0 | 0 | 112.2 | L377 H378 L379 V445 E446 V447 | M364-L377 HydrophobicContact SD-CD2 4.19Å; M364-H378 CarbonylContact C-O 3.03Å; M364-H378 WeakPolarHBondContact CA-O 3.15Å; M364-H378 WeakPolarHBondContact CB-O 3.17Å; M364-L379 HydrophobicContact CB-CD1 4.08Å; M364-L379 HydrophobicContact CE-CD1 4.14Å; M364-V445 HydrophobicContact CE-CG1 3.55Å; M364-E446 WeakPolarHBondContact CE-O 3.48Å; M364-V447 HydrophobicContact CE-CB 4.45Å; M364-V447 HydrophobicContact CE-CG2 4.07Å; M364-V447 HydrophobicContact SD-CB 4.32Å; M364-V447 HydrophobicContact SD-CG1 4.15Å; M364-V447 HydrophobicContact SD-CG2 4.41Å |
| 365 | T | 82.6 | Confident | 78.6 | Confident | 38 Ų | 38 | 74.8 Ų | 74.8 | 23% | 0.233 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 147.9 | 167.6 | 59.4 | 0 | 0 | 0 | 0 | 110.1 | H378 | T365-H378 PolarHBondContact N-O 2.97Å; T365-H378 PolarHBondContact O-N 2.8Å |
| 366 | V | 78.1 | Confident | 78.4 | Confident | 38 Ų | 38 | 73.7 Ų | 73.7 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 120.4 | 176.4 | -179 | 0 | 0 | 0 | 0 | 107.9 | L375 L377 | V366-L375 HydrophobicContact CG1-CD1 3.58Å; V366-L375 HydrophobicContact CG1-CD2 4.38Å; V366-L375 HydrophobicContact CG1-CG 4Å; V366-L375 HydrophobicContact CG2-CD2 4.49Å; V366-L377 HydrophobicContact CG2-CD2 3.9Å |
| 367 | S | 69.2 | Low | 78.1 | Confident | 33 Ų | 33 | 73.6 Ų | 73.6 | 23% | 0.231 | 35% | 0.349 | C | S | . | . | trans | -72.1 | 144.1 | 173.3 | 168.9 | 0 | 0 | 0 | 0 | 110.6 | E369 S376 | S367-E369 PolarHBondContact O-N 3.1Å; S367-S376 PolarHBondContact N-O 3.32Å | ||
| 368 | R | 60.8 | Low | 78 | Confident | 241 Ų | 241 | 73.6 Ų | 73.6 | 91% | 0.909 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -72.3 | -13.5 | -174.4 | -58.1 | -172.4 | -171.1 | -149.3 | 4.2 | 113.3 | Q370 | R368-Q370 PolarHBondContact O-N 3.02Š|
| 369 | E | 58.5 | Low | 78.1 | Confident | 143 Ų | 143 | 72.5 Ų | 72.5 | 67% | 0.668 | 33% | 0.332 | S | S | * | . | trans | -70.8 | 83.3 | 177.9 | -69 | -171.8 | -175 | 0 | 0 | 112.7 | S367 K371 | S367-E369 PolarHBondContact O-N 3.1Å; E369-K371 PolarHBondContact O-N 2.77Å; E369-K371 VanDerWaalsContact O-N 3.14Å | ||
| 370 | Q | 56.4 | Low | 78.3 | Confident | 121 Ų | 121 | 64.4 Ų | 64.4 | 57% | 0.565 | 30% | 0.302 | S | S | * | . | trans | -83.8 | 83.2 | -178.9 | -66.6 | -166.8 | 38.7 | 0 | 0 | 113.2 | R368 H372 | R368-Q370 PolarHBondContact O-N 3.02Å; Q370-H372 PolarHBondContact O-N 2.92Å | ||
| 371 | K | 56.8 | Low | 78.3 | Confident | 151 Ų | 151 | 64.3 Ų | 64.3 | 66% | 0.657 | 30% | 0.301 | S | S | * | . | trans | -64.2 | 123.8 | 160.5 | -69.2 | 179.1 | -178.9 | 172.9 | 0 | 108.7 | E369 K373 S374 | E369-K371 PolarHBondContact O-N 2.77Å; E369-K371 VanDerWaalsContact O-N 3.14Å; K371-K373 PolarHBondContact O-N 2.96Å; K371-S374 PolarHBondContact O-N 2.89Å; K371-S374 VanDerWaalsContact O-O 3.06Å | ||
| 372 | H | 58.7 | Low | 78.3 | Confident | 177 Ų | 177 | 63.1 Ų | 63.1 | 82% | 0.819 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -9.9 | -162.9 | -66.1 | -82.7 | 0 | 0 | 0 | 118.3 | Q370 | Q370-H372 PolarHBondContact O-N 2.92Š|
| 373 | K | 69.1 | Low | 78.2 | Confident | 195 Ų | 195 | 65.5 Ų | 65.5 | 85% | 0.848 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120 | -10.8 | -178.8 | -64.2 | -179.3 | -179.3 | 176 | 0 | 115 | K371 | K371-K373 PolarHBondContact O-N 2.96Š|
| 374 | S | 73 | Confident | 78.2 | Confident | 28 Ų | 28 | 65.8 Ų | 65.8 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 165.9 | 179.2 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | K371 Q421 | K371-S374 PolarHBondContact O-N 2.89Å; K371-S374 VanDerWaalsContact O-O 3.06Å; S374-Q421 PolarHBondContact OG-OE1 3.48Å |
| 375 | L | 79 | Confident | 78.2 | Confident | 18 Ų | 18 | 75.7 Ų | 75.7 | 9% | 0.094 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.8 | 172.9 | -164.6 | 68.4 | 0 | 0 | 0 | 107.8 | V366 L377 L422 Q449 | V366-L375 HydrophobicContact CG1-CD1 3.58Å; V366-L375 HydrophobicContact CG1-CD2 4.38Å; V366-L375 HydrophobicContact CG1-CG 4Å; V366-L375 HydrophobicContact CG2-CD2 4.49Å; L375-L377 HydrophobicContact CD2-CD2 3.83Å; L375-L377 HydrophobicContact CD2-CG 4.28Å; L375-L377 HydrophobicContact CG-CD2 4.17Å; L375-L377 HydrophobicContact CG-CG 4.37Å; L375-L422 PolarHBondContact N-O 2.96Å; L375-L422 PolarHBondContact O-N 3.1Å; L375-Q449 HydrophobicContact CD2-CG 4.43Å |
| 376 | S | 86.6 | Confident | 78.4 | Confident | 10 Ų | 10 | 80.9 Ų | 80.9 | 7% | 0.07 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 114.9 | 175.7 | -165.9 | 0 | 0 | 0 | 0 | 109.1 | S367 Q421 | S367-S376 PolarHBondContact N-O 3.32Å; S376-Q421 VanDerWaalsContact CB-NE2 3.3Å; S376-Q421 PolarHBondContact OG-NE2 3.38Å |
| 377 | L | 87.5 | Confident | 79 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130 | -175 | -69.2 | 174.9 | 0 | 0 | 0 | 110.5 | M364 V366 L375 V419 F420 L422 V447 | M364-L377 HydrophobicContact SD-CD2 4.19Å; V366-L377 HydrophobicContact CG2-CD2 3.9Å; L375-L377 HydrophobicContact CD2-CD2 3.83Å; L375-L377 HydrophobicContact CD2-CG 4.28Å; L375-L377 HydrophobicContact CG-CD2 4.17Å; L375-L377 HydrophobicContact CG-CG 4.37Å; L377-V419 WeakPolarHBondContact O-CA 3.46Å; L377-F420 HydrophobicContact CB-CD2 4.46Å; L377-F420 HydrophobicContact CB-CE2 4.04Å; L377-F420 HydrophobicContact CB-CZ 4.17Å; L377-F420 HydrophobicContact CD1-CE2 3.92Å; L377-F420 HydrophobicContact CD1-CZ 4.38Å; L377-F420 PolarHBondContact N-O 2.79Å; L377-F420 PolarHBondContact O-N 2.8Å; L377-L422 HydrophobicContact CD1-CB 3.85Å; L377-L422 HydrophobicContact CD1-CD2 3.71Å; L377-L422 HydrophobicContact CD1-CG 4.42Å; L377-V447 HydrophobicContact CD1-CG1 3.75Å; L377-V447 HydrophobicContact CD1-CG2 4.32Å; L377-V447 HydrophobicContact CD2-CG1 4.44Å |
| 378 | H | 89.2 | Confident | 79.9 | Confident | 50 Ų | 50 | 85.2 Ų | 85.2 | 23% | 0.231 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 113.2 | 170.7 | -67.7 | -138.4 | 0 | 0 | 0 | 106.8 | M364 T365 F380 V419 | M364-H378 CarbonylContact C-O 3.03Å; M364-H378 WeakPolarHBondContact CA-O 3.15Å; M364-H378 WeakPolarHBondContact CB-O 3.17Å; T365-H378 PolarHBondContact N-O 2.97Å; T365-H378 PolarHBondContact O-N 2.8Å; H378-F380 HydrophobicContact CB-CE2 3.84Å; H378-F380 HydrophobicContact CB-CZ 4.05Å; H378-V419 HydrophobicContact CB-CG2 4.44Å |
| 379 | L | 91.5 | Very high | 81.2 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.5 | -178.6 | -178.3 | 72.2 | 0 | 0 | 0 | 109.5 | W363 M364 W381 V398 H417 C418 F420 V445 | W363-L379 WeakPolarHBondContact O-CD1 3.27Å; M364-L379 HydrophobicContact CB-CD1 4.08Å; M364-L379 HydrophobicContact CE-CD1 4.14Å; L379-W381 HydrophobicContact CB-CZ3 4.15Å; L379-W381 HydrophobicContact CD2-CE3 3.98Å; L379-W381 HydrophobicContact CD2-CZ3 3.82Å; L379-W381 HydrophobicContact CG-CE3 3.83Å; L379-W381 HydrophobicContact CG-CZ3 3.86Å; L379-W381 WeakPolarHBondContact O-CZ3 3.46Å; L379-V398 HydrophobicContact CD2-CG1 4.21Å; L379-V398 HydrophobicContact CD2-CG2 3.96Å; L379-H417 CarbonylContact O-C 3.57Å; L379-H417 WeakPolarHBondContact O-CA 3.38Å; L379-H417 WeakPolarHBondContact O-CB 3.37Å; L379-C418 PolarHBondContact N-O 3.34Å; L379-C418 PolarHBondContact O-N 2.94Å; L379-F420 HydrophobicContact CB-CE1 3.68Å; L379-F420 HydrophobicContact CB-CZ 4.28Å; L379-F420 HydrophobicContact CD2-CE1 3.98Å; L379-F420 HydrophobicContact CD2-CZ 4.36Å; L379-F420 HydrophobicContact CG-CE1 4.45Å; L379-V445 HydrophobicContact CD1-CG1 3.85Å |
| 380 | F | 92.1 | Very high | 82.7 | Confident | 7 Ų | 7 | 69.4 Ų | 69.4 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.7 | 179.4 | -54.2 | -91.9 | 0 | 0 | 0 | 109.4 | S362 W363 H378 H417 P496 I499 F501 | S362-F380 CarbonylContact C-O 3.55Å; S362-F380 VanDerWaalsContact CA-O 3.24Å; S362-F380 WeakPolarHBondContact CA-O 3.5Å; S362-F380 WeakPolarHBondContact CB-O 3.16Å; W363-F380 PolarHBondContact N-O 2.79Å; W363-F380 PolarHBondContact O-N 2.8Å; H378-F380 HydrophobicContact CB-CE2 3.84Å; H378-F380 HydrophobicContact CB-CZ 4.05Å; F380-H417 HydrophobicContact CD1-CB 3.5Å; F380-H417 HydrophobicContact CE1-CB 3.88Å; F380-H417 HydrophobicContact CG-CB 4.27Å; F380-P496 HydrophobicContact CE1-CB 4.2Å; F380-P496 WeakPolarHBondContact CE1-O 3.39Å; F380-I499 HydrophobicContact CD1-CB 4.35Å; F380-I499 HydrophobicContact CE1-CB 4.15Å; F380-I499 HydrophobicContact CE1-CD1 3.91Å; F380-I499 HydrophobicContact CZ-CD1 3.72Å; F380-F501 HydrophobicContact CB-CD1 4.43Å; F380-F501 HydrophobicContact CB-CE1 3.94Å |
| 381 | W | 92.4 | Very high | 84.2 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.015 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 147.3 | 176.8 | 52.8 | 86.4 | 0 | 0 | 0 | 114.1 | L360 N361 L379 Y396 V398 T413 D415 N416 H417 C418 L431 | L360-W381 HydrophobicContact CB-CB 4.43Å; N361-W381 CarbonylContact O-C 3.55Å; N361-W381 WeakPolarHBondContact O-CA 3.47Å; N361-W381 WeakPolarHBondContact O-CB 3.37Å; L379-W381 HydrophobicContact CB-CZ3 4.15Å; L379-W381 HydrophobicContact CD2-CE3 3.98Å; L379-W381 HydrophobicContact CD2-CZ3 3.82Å; L379-W381 HydrophobicContact CG-CE3 3.83Å; L379-W381 HydrophobicContact CG-CZ3 3.86Å; L379-W381 WeakPolarHBondContact O-CZ3 3.46Å; W381-Y396 AromaticContact CD1-CE1 3.97Å; W381-Y396 AromaticContact CE2-CG 3.75Å; W381-Y396 VanDerWaalsContact CZ2-CB 3.49Å; W381-Y396 HydrophobicContact CZ2-CD2 4.1Å; W381-Y396 AromaticContact CZ2-CG 3.86Å; W381-Y396 HydrophobicContact CZ2-CG 3.86Å; W381-Y396 AromaticContact NE1-CD1 3.41Å; W381-Y396 AromaticContact NE1-CD2 3.3Å; W381-Y396 VanDerWaalsContact NE1-CD2 3.3Å; W381-Y396 AromaticContact NE1-CE1 3.66Å; W381-Y396 AromaticContact NE1-CE2 3.57Å; W381-Y396 AromaticContact NE1-CG 3.22Å; W381-Y396 AromaticContact NE1-CZ 3.75Å; W381-V398 HydrophobicContact CH2-CG2 4.29Å; W381-V398 HydrophobicContact CZ3-CG2 4.29Å; W381-T413 HydrophobicContact CH2-CG2 3.8Å; W381-T413 HydrophobicContact CZ2-CG2 3.62Å; W381-D415 WeakPolarHBondContact CZ2-O 3.38Å; W381-N416 PolarHBondContact N-O 2.99Å; W381-N416 WeakPolarHBondContact O-CB 3.3Å; W381-H417 VanDerWaalsContact CH2-C 3.42Å; W381-C418 HydrophobicContact CH2-CB 3.85Å; W381-C418 HydrophobicContact CZ3-CB 4.33Å; W381-L431 HydrophobicContact CB-CD2 3.68Å; W381-L431 HydrophobicContact CD2-CD1 3.93Å; W381-L431 HydrophobicContact CD2-CD2 3.75Å; W381-L431 HydrophobicContact CE3-CD1 3.96Å; W381-L431 HydrophobicContact CE3-CD2 3.92Å; W381-L431 HydrophobicContact CG-CD2 3.67Å; W381-L431 HydrophobicContact CH2-CD1 4.26Å; W381-L431 HydrophobicContact CZ2-CD1 4.22Å; W381-L431 HydrophobicContact CZ3-CD1 4.14Å |
| 382 | K | 91.4 | Very high | 85.7 | Confident | 32 Ų | 32 | 64.6 Ų | 64.6 | 14% | 0.139 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 148.2 | 168.2 | 72.2 | -174.1 | -167.7 | -176.2 | 0 | 111.4 | N361 S384 F501 D502 E515 | N361-K382 HydrophobicContact CB-CG 4.28Å; N361-K382 PolarHBondContact N-O 2.88Å; N361-K382 PolarHBondContact O-N 2.92Å; K382-S384 PolarHBondContact O-N 3.35Å; K382-F501 VanDerWaalsContact CE-O 3.25Å; K382-F501 WeakPolarHBondContact CE-O 3.42Å; K382-F501 HydrophobicContact CG-CZ 4.36Å; K382-F501 PolarHBondContact NZ-O 3.17Å; K382-D502 WeakPolarHBondContact CE-OD1 3.38Å; K382-D502 IonicContact NZ-OD1 3.69Å; K382-D502 PolarHBondContact NZ-OD1 2.92Å; K382-D502 VanDerWaalsContact NZ-OD1 3.17Å; K382-D502 IonicContact NZ-OD2 2.79Å; K382-D502 PolarHBondContact NZ-OD2 3.32Å; K382-E515 IonicContact NZ-OE1 3.82Å; K382-E515 PolarHBondContact NZ-OE1 2.81Å; K382-E515 IonicContact NZ-OE2 2.87Å; K382-E515 PolarHBondContact NZ-OE2 3.41Å |
| 383 | P | 91.6 | Very high | 87.2 | Confident | 70 Ų | 70 | 58 Ų | 58 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 130.3 | 174.8 | -27.5 | 36.3 | 0 | 0 | 0 | 111.9 | F387 | P383-F387 HydrophobicContact CB-CB 4.07Å; P383-F387 HydrophobicContact CB-CD1 3.91Å; P383-F387 HydrophobicContact CB-CG 4.21Å; P383-F387 HydrophobicContact CG-CD1 4.44Å |
| 384 | S | 90.3 | Very high | 88.2 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 11% | 0.112 | 26% | 0.261 | C | S | . | . | trans | -74.7 | 163.5 | 172 | 72.9 | 0 | 0 | 0 | 0 | 111 | R359 N361 K382 Q386 F387 | R359-S384 VanDerWaalsContact O-CB 3.25Å; R359-S384 WeakPolarHBondContact O-CB 3.32Å; R359-S384 PolarHBondContact O-N 2.77Å; R359-S384 PolarHBondContact O-OG 2.9Å; N361-S384 VanDerWaalsContact OD1-CB 3.27Å; N361-S384 WeakPolarHBondContact OD1-CB 3.36Å; K382-S384 PolarHBondContact O-N 3.35Å; S384-Q386 PolarHBondContact O-N 2.94Å; S384-Q386 PolarHBondContact OG-N 2.74Å; S384-F387 WeakPolarHBondContact O-CB 3.16Å; S384-F387 PolarHBondContact O-N 2.84Å; S384-F387 PolarHBondContact OG-N 2.68Å | ||
| 385 | K | 87.1 | Confident | 89.1 | Confident | 218 Ų | 218 | 53.2 Ų | 53.2 | 95% | 0.948 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -15 | 173 | -62.5 | -177.8 | -179.7 | 178.8 | 0 | 113.9 | ||
| 386 | Q | 86.9 | Confident | 89.8 | Confident | 147 Ų | 147 | 53.2 Ų | 53.2 | 69% | 0.687 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -4.9 | 176.5 | -62.3 | 179.9 | 0.4 | 0 | 0 | 113.5 | S384 | S384-Q386 PolarHBondContact O-N 2.94Å; S384-Q386 PolarHBondContact OG-N 2.74Å |
| 387 | F | 89.9 | Confident | 90 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 11% | 0.105 | 26% | 0.261 | C | S | . | . | trans | -75.4 | 132.7 | -179.2 | -170.6 | -97.9 | 0 | 0 | 0 | 111.5 | P356 S357 L360 P383 S384 A389 I393 A433 | P356-F387 HydrophobicContact CB-CE2 4.22Å; P356-F387 HydrophobicContact CB-CZ 3.89Å; S357-F387 CarbonylContact O-C 3.55Å; S357-F387 WeakPolarHBondContact O-CA 3.5Å; L360-F387 HydrophobicContact CD2-CD2 3.75Å; L360-F387 HydrophobicContact CD2-CE2 3.7Å; L360-F387 HydrophobicContact CD2-CG 4.2Å; L360-F387 HydrophobicContact CD2-CZ 4.11Å; L360-F387 HydrophobicContact CG-CD2 4.26Å; L360-F387 HydrophobicContact CG-CE2 4.13Å; P383-F387 HydrophobicContact CB-CB 4.07Å; P383-F387 HydrophobicContact CB-CD1 3.91Å; P383-F387 HydrophobicContact CB-CG 4.21Å; P383-F387 HydrophobicContact CG-CD1 4.44Å; S384-F387 WeakPolarHBondContact O-CB 3.16Å; S384-F387 PolarHBondContact O-N 2.84Å; S384-F387 PolarHBondContact OG-N 2.68Å; F387-A389 HydrophobicContact CE1-CB 4.1Å; F387-I393 HydrophobicContact CE1-CD1 4.45Å; F387-I393 HydrophobicContact CZ-CD1 4.25Å; F387-A433 HydrophobicContact CE2-CB 4.24Å; F387-A433 HydrophobicContact CZ-CB 3.92Å | ||
| 388 | R | 89.4 | Confident | 90.3 | Very high | 138 Ų | 138 | 53.3 Ų | 53.3 | 52% | 0.521 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | -127.8 | 115.3 | 172.2 | -58.1 | -65.2 | -174.5 | 164.9 | 0.6 | 108 | P356 S357 N390 | P356-R388 WeakPolarHBondContact CA-O 3.49Å; S357-R388 PolarHBondContact N-O 3.42Å; S357-R388 PolarHBondContact O-N 3.37Å; R388-N390 WeakPolarHBondContact CB-OD1 3.42Å; R388-N390 PolarHBondContact O-N 3.01Å |
| 389 | A | 88 | Confident | 90.4 | Very high | 35 Ų | 35 | 51 Ų | 51 | 29% | 0.289 | 25% | 0.25 | S | S | . | . | trans | -64.7 | -26.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F387 G391 I393 N435 | F387-A389 HydrophobicContact CE1-CB 4.1Å; A389-G391 WeakPolarHBondContact CB-O 3.13Å; A389-G391 PolarHBondContact O-N 2.89Å; A389-I393 HydrophobicContact CB-CD1 3.84Å; A389-I393 HydrophobicContact CB-CG1 4.06Å; A389-N435 PolarHBondContact O-ND2 2.86Å | ||
| 390 | N | 90.6 | Very high | 90.2 | Very high | 16 Ų | 16 | 58.1 Ų | 58.1 | 9% | 0.086 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 54.1 | 21.4 | 176.2 | -65.9 | -31.6 | 0 | 0 | 0 | 114.6 | H323 G324 E353 R354 A355 S357 R388 | H323-N390 HydrophobicContact CB-CB 3.83Å; H323-N390 PolarHBondContact ND1-OD1 3.15Å; H323-N390 CarbonylContact O-C 3.57Å; G324-N390 WeakPolarHBondContact CA-O 3.4Å; G324-N390 PolarHBondContact N-O 2.85Å; E353-N390 VanDerWaalsContact CA-O 3.25Å; E353-N390 WeakPolarHBondContact CA-O 3.42Å; R354-N390 HydrophobicContact CB-CB 4.15Å; R354-N390 PolarHBondContact N-O 3.31Å; R354-N390 WeakPolarHBondContact O-CB 3.25Å; A355-N390 PolarHBondContact O-ND2 3.36Å; S357-N390 PolarHBondContact OG-ND2 2.68Å; R388-N390 WeakPolarHBondContact CB-OD1 3.42Å; R388-N390 PolarHBondContact O-N 3.01Å |
| 391 | G | 87.2 | Confident | 89.7 | Confident | 13 Ų | 13 | 63 Ų | 63 | 13% | 0.134 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 152 | -179 | -166.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | E353 A389 | E353-G391 WeakPolarHBondContact OE1-CA 3.44Å; A389-G391 WeakPolarHBondContact CB-O 3.13Å; A389-G391 PolarHBondContact O-N 2.89Å |
| 392 | K | 89.1 | Confident | 88.9 | Confident | 158 Ų | 158 | 70.9 Ų | 70.9 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | trans | -78.7 | 124.8 | 175.2 | -177.2 | 175.6 | 177.3 | 177.9 | 0 | 110.4 | E353 L394 N435 | E353-K392 PolarHBondContact OE1-N 2.68Å; K392-L394 HydrophobicContact CG-CD2 4.35Å; K392-L394 PolarHBondContact O-N 2.84Å; K392-N435 WeakPolarHBondContact O-CA 3.26Å; K392-N435 WeakPolarHBondContact O-CB 3.48Å | ||
| 393 | I | 89.9 | Confident | 87.9 | Confident | 40 Ų | 40 | 76 Ų | 76 | 21% | 0.205 | 35% | 0.354 | C | S | . | . | trans | -66.2 | 131 | 172.6 | -55.9 | -54.2 | 0 | 0 | 0 | 109.6 | P356 F387 A389 Y396 A433 G434 | P356-I393 HydrophobicContact CB-CD1 4.14Å; P356-I393 HydrophobicContact CG-CD1 3.68Å; F387-I393 HydrophobicContact CE1-CD1 4.45Å; F387-I393 HydrophobicContact CZ-CD1 4.25Å; A389-I393 HydrophobicContact CB-CD1 3.84Å; A389-I393 HydrophobicContact CB-CG1 4.06Å; I393-Y396 HydrophobicContact CG2-CE1 4.4Å; I393-Y396 HydrophobicContact CG2-CE2 4.15Å; I393-A433 HydrophobicContact CD1-CB 4.28Å; I393-G434 WeakPolarHBondContact CA-O 3.27Å | ||
| 394 | L | 89.9 | Confident | 86.5 | Confident | 91 Ų | 91 | 75.3 Ų | 75.3 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | trans | -114.9 | -16.2 | -177.6 | -58.9 | -178.4 | 0 | 0 | 0 | 113.1 | K392 L414 G434 A436 | K392-L394 HydrophobicContact CG-CD2 4.35Å; K392-L394 PolarHBondContact O-N 2.84Å; L394-L414 WeakPolarHBondContact O-CD2 3.44Å; L394-G434 PolarHBondContact N-O 3.19Å; L394-A436 HydrophobicContact CD1-CB 4.15Å | ||
| 395 | S | 92.1 | Very high | 85.2 | Confident | 31 Ų | 31 | 79.3 Ų | 79.3 | 22% | 0.217 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 156.4 | 169.3 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | T413 G434 | S395-T413 CarbonylContact C-O 3.6Å; S395-T413 WeakPolarHBondContact CA-O 3.35Å; S395-G434 PolarHBondContact N-O 3.18Å; S395-G434 PolarHBondContact O-N 2.85Å |
| 396 | Y | 92.9 | Very high | 84.2 | Confident | 17 Ų | 17 | 78.3 Ų | 78.3 | 7% | 0.067 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 139.5 | 156.7 | -65.3 | -76.1 | 0 | 0 | 0 | 109.3 | L360 W381 I393 I412 T413 D415 S432 A433 | L360-Y396 HydrophobicContact CD1-CD1 3.93Å; L360-Y396 HydrophobicContact CD1-CE1 3.82Å; L360-Y396 HydrophobicContact CD2-CE1 4.25Å; W381-Y396 AromaticContact CD1-CE1 3.97Å; W381-Y396 AromaticContact CE2-CG 3.75Å; W381-Y396 VanDerWaalsContact CZ2-CB 3.49Å; W381-Y396 HydrophobicContact CZ2-CD2 4.1Å; W381-Y396 AromaticContact CZ2-CG 3.86Å; W381-Y396 HydrophobicContact CZ2-CG 3.86Å; W381-Y396 AromaticContact NE1-CD1 3.41Å; W381-Y396 AromaticContact NE1-CD2 3.3Å; W381-Y396 VanDerWaalsContact NE1-CD2 3.3Å; W381-Y396 AromaticContact NE1-CE1 3.66Å; W381-Y396 AromaticContact NE1-CE2 3.57Å; W381-Y396 AromaticContact NE1-CG 3.22Å; W381-Y396 AromaticContact NE1-CZ 3.75Å; I393-Y396 HydrophobicContact CG2-CE1 4.4Å; I393-Y396 HydrophobicContact CG2-CE2 4.15Å; Y396-I412 WeakPolarHBondContact O-CA 3.5Å; Y396-T413 PolarHBondContact N-O 3.13Å; Y396-T413 PolarHBondContact O-N 2.97Å; Y396-D415 VanDerWaalsContact CD2-O 3.32Å; Y396-D415 WeakPolarHBondContact CD2-O 3.48Å; Y396-S432 WeakPolarHBondContact CA-O 3.1Å; Y396-A433 HydrophobicContact CD1-CB 3.79Å; Y396-A433 HydrophobicContact CE1-CB 3.68Å |
| 397 | V | 92 | Very high | 83.2 | Confident | 11 Ų | 11 | 81.7 Ų | 81.7 | 7% | 0.067 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 126.9 | -178.5 | 170 | 0 | 0 | 0 | 0 | 109.5 | P404 Q409 I412 L431 S432 | V397-P404 HydrophobicContact CG1-CB 4.13Å; V397-Q409 HydrophobicContact CG1-CG 4.04Å; V397-Q409 VanDerWaalsContact CG1-NE2 3.29Å; V397-I412 HydrophobicContact CG2-CG2 4.32Å; V397-L431 WeakPolarHBondContact O-CA 3.21Å; V397-S432 PolarHBondContact N-O 3.43Å; V397-S432 PolarHBondContact O-N 2.68Å |
| 398 | V | 92.1 | Very high | 82.5 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.2 | 169.2 | -169.9 | 0 | 0 | 0 | 0 | 108.7 | L379 W381 L410 C411 F420 V429 F430 L431 | L379-V398 HydrophobicContact CD2-CG1 4.21Å; L379-V398 HydrophobicContact CD2-CG2 3.96Å; W381-V398 HydrophobicContact CH2-CG2 4.29Å; W381-V398 HydrophobicContact CZ3-CG2 4.29Å; V398-L410 HydrophobicContact CB-CB 4.46Å; V398-L410 HydrophobicContact CG1-CB 4.36Å; V398-L410 HydrophobicContact CG1-CD1 4.31Å; V398-L410 PolarHBondContact O-N 3.08Å; V398-C411 HydrophobicContact CB-CB 4.17Å; V398-C411 HydrophobicContact CG2-CB 4.21Å; V398-C411 PolarHBondContact N-O 2.87Å; V398-C411 PolarHBondContact O-N 3.01Å; V398-F420 HydrophobicContact CB-CE1 4.5Å; V398-F420 HydrophobicContact CG1-CD1 4.27Å; V398-F420 HydrophobicContact CG1-CE1 3.79Å; V398-F420 HydrophobicContact CG1-CZ 3.98Å; V398-F420 HydrophobicContact CG2-CE1 4.43Å; V398-V429 HydrophobicContact CG1-CB 4.32Å; V398-V429 HydrophobicContact CG1-CG2 4.28Å; V398-F430 CarbonylContact C-O 3.59Å; V398-F430 WeakPolarHBondContact CA-O 3.44Å; V398-L431 HydrophobicContact CG2-CD1 4Å |
| 399 | S | 91.6 | Very high | 82.3 | Confident | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.014 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 150.4 | 178.3 | 59.5 | 0 | 0 | 0 | 0 | 112.8 | Q401 G408 F430 | S399-Q401 VanDerWaalsContact C-N 3.3Å; S399-Q401 WeakPolarHBondContact CB-O 3.47Å; S399-Q401 PolarHBondContact OG-O 3.06Å; S399-G408 CarbonylContact C-O 3.55Å; S399-G408 VanDerWaalsContact CA-O 3.31Å; S399-G408 WeakPolarHBondContact CA-O 3.32Å; S399-G408 WeakPolarHBondContact CB-O 3.5Å; S399-F430 PolarHBondContact N-O 3.12Å; S399-F430 PolarHBondContact O-N 3.38Å |
| 400 | R | 86.8 | Confident | 82.3 | Confident | 149 Ų | 149 | 78.4 Ų | 78.4 | 56% | 0.562 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -75.4 | -21.6 | 173.3 | -176.5 | 176.7 | 170.7 | -154.8 | -4.2 | 112.4 | G408 L410 | R400-G408 PolarHBondContact N-O 2.88Å; R400-L410 HydrophobicContact CB-CD1 4.18Å; R400-L410 HydrophobicContact CB-CD2 4.46Å; R400-L410 HydrophobicContact CB-CG 4.37Å |
| 401 | Q | 82.6 | Confident | 82.3 | Confident | 111 Ų | 111 | 78.5 Ų | 78.5 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -118.5 | 153.1 | -178.4 | -66.1 | -178.1 | -5.6 | 0 | 0 | 111 | S399 Q403 | S399-Q401 VanDerWaalsContact C-N 3.3Å; S399-Q401 WeakPolarHBondContact CB-O 3.47Å; S399-Q401 PolarHBondContact OG-O 3.06Å; Q401-Q403 PolarHBondContact O-N 2.72Å |
| 402 | R | 76.4 | Confident | 82.5 | Confident | 169 Ų | 169 | 82.7 Ų | 82.7 | 64% | 0.638 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -65.5 | -24.5 | -175.9 | -160.8 | 178.1 | -158.7 | -177.3 | 10.3 | 113.5 | F430 P442 | R402-F430 HydrophobicContact CB-CD1 4.39Å; R402-F430 HydrophobicContact CB-CD2 4.46Å; R402-F430 HydrophobicContact CB-CE1 4.12Å; R402-F430 HydrophobicContact CB-CE2 4.19Å; R402-F430 HydrophobicContact CB-CZ 4.01Å; R402-F430 HydrophobicContact CG-CD1 4.19Å; R402-F430 HydrophobicContact CG-CE1 3.96Å; R402-F430 HydrophobicContact CG-CZ 4.33Å; R402-P442 HydrophobicContact CG-CG 3.65Å |
| 403 | Q | 70.3 | Confident | 82.6 | Confident | 139 Ų | 139 | 76.3 Ų | 76.3 | 65% | 0.65 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -105.3 | 125.4 | 167.3 | -70.3 | -179.5 | -11.3 | 0 | 0 | 108.7 | Q401 L405 | Q401-Q403 PolarHBondContact O-N 2.72Å; Q403-L405 HydrophobicContact CB-CD1 3.92Å; Q403-L405 PolarHBondContact O-N 2.88Å |
| 404 | P | 60.6 | Low | 82.6 | Confident | 56 Ų | 56 | 80.6 Ų | 80.6 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | trans | -80.2 | 68.5 | -179.4 | 33.3 | -35.7 | 0 | 0 | 0 | 111.4 | V397 | V397-P404 HydrophobicContact CG1-CB 4.13Š| ||
| 405 | L | 63.9 | Low | 82.6 | Confident | 99 Ų | 99 | 80.7 Ų | 80.7 | 52% | 0.518 | 39% | 0.385 | S | S | . | . | trans | -63.3 | 143.8 | 161.4 | -84.3 | 71.4 | 0 | 0 | 0 | 108.6 | Q403 K407 G408 | Q403-L405 HydrophobicContact CB-CD1 3.92Å; Q403-L405 PolarHBondContact O-N 2.88Å; L405-K407 PolarHBondContact O-N 2.95Å; L405-G408 PolarHBondContact O-N 2.65Å | ||
| 406 | K | 65.5 | Low | 82.5 | Confident | 197 Ų | 197 | 83.4 Ų | 83.4 | 86% | 0.857 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -51.9 | -26.6 | -179.9 | -69.9 | -173.3 | 174.8 | -175 | 0 | 114.3 | ||
| 407 | K | 66.5 | Low | 82.4 | Confident | 218 Ų | 218 | 84.6 Ų | 84.6 | 95% | 0.948 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -80.5 | -6.4 | 176.5 | -68.1 | -173.4 | 175.7 | -177.6 | 0 | 115 | L405 | L405-K407 PolarHBondContact O-N 2.95Š|
| 408 | G | 74.9 | Confident | 82.3 | Confident | 10 Ų | 10 | 85 Ų | 85 | 10% | 0.103 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -120.5 | 6.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S399 R400 L405 | S399-G408 CarbonylContact C-O 3.55Å; S399-G408 VanDerWaalsContact CA-O 3.31Å; S399-G408 WeakPolarHBondContact CA-O 3.32Å; S399-G408 WeakPolarHBondContact CB-O 3.5Å; R400-G408 PolarHBondContact N-O 2.88Å; L405-G408 PolarHBondContact O-N 2.65Å |
| 409 | Q | 84.9 | Confident | 82.2 | Confident | 63 Ų | 63 | 88.1 Ų | 88.1 | 29% | 0.294 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 135.3 | -179.7 | -161.8 | 161 | 31.5 | 0 | 0 | 110.1 | V397 I412 | V397-Q409 HydrophobicContact CG1-CG 4.04Å; V397-Q409 VanDerWaalsContact CG1-NE2 3.29Å; Q409-I412 HydrophobicContact CG-CG1 4.16Å; Q409-I412 VanDerWaalsContact NE2-CG1 3.34Å |
| 410 | L | 88.2 | Confident | 82.1 | Confident | 56 Ų | 56 | 88.5 Ų | 88.5 | 29% | 0.293 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -35.1 | -177.8 | -62.5 | 173.8 | 0 | 0 | 0 | 111.8 | V398 R400 F420 L422 V429 | V398-L410 HydrophobicContact CB-CB 4.46Å; V398-L410 HydrophobicContact CG1-CB 4.36Å; V398-L410 HydrophobicContact CG1-CD1 4.31Å; V398-L410 PolarHBondContact O-N 3.08Å; R400-L410 HydrophobicContact CB-CD1 4.18Å; R400-L410 HydrophobicContact CB-CD2 4.46Å; R400-L410 HydrophobicContact CB-CG 4.37Å; L410-F420 HydrophobicContact CB-CB 4.27Å; L410-F420 HydrophobicContact CB-CD2 4.3Å; L410-F420 HydrophobicContact CB-CG 4.24Å; L410-F420 HydrophobicContact CD1-CD2 3.96Å; L410-F420 HydrophobicContact CD1-CE2 4.06Å; L410-L422 HydrophobicContact CD1-CD1 3.68Å; L410-L422 HydrophobicContact CD2-CD1 4.48Å; L410-V429 HydrophobicContact CD1-CG1 3.95Å |
| 411 | C | 90.4 | Very high | 82.1 | Confident | 17 Ų | 17 | 85.9 Ų | 85.9 | 12% | 0.115 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 151.9 | 176.3 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | V398 C418 | V398-C411 HydrophobicContact CB-CB 4.17Å; V398-C411 HydrophobicContact CG2-CB 4.21Å; V398-C411 PolarHBondContact N-O 2.87Å; V398-C411 PolarHBondContact O-N 3.01Å; C411-C418 HydrophobicContact CB-CB 3.96Å; C411-C418 WeakPolarHBondContact CB-SG 3.13Å; C411-C418 WeakPolarHBondContact SG-CB 3.06Å; C411-C418 CovalentContact SG-SG 2.02Å; C411-C418 PolarHBondContact SG-SG 3.04Å |
| 412 | I | 90.9 | Very high | 82.3 | Confident | 102 Ų | 102 | 80.7 Ų | 80.7 | 52% | 0.523 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.6 | 161 | -45.7 | -178.9 | 0 | 0 | 0 | 106.6 | Y396 V397 Q409 | Y396-I412 WeakPolarHBondContact O-CA 3.5Å; V397-I412 HydrophobicContact CG2-CG2 4.32Å; Q409-I412 HydrophobicContact CG-CG1 4.16Å; Q409-I412 VanDerWaalsContact NE2-CG1 3.34Å |
| 413 | T | 91.5 | Very high | 82.7 | Confident | 24 Ų | 24 | 75.6 Ų | 75.6 | 15% | 0.147 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 164 | 175 | -175 | 0 | 0 | 0 | 0 | 111.2 | W381 S395 Y396 D415 C418 | W381-T413 HydrophobicContact CH2-CG2 3.8Å; W381-T413 HydrophobicContact CZ2-CG2 3.62Å; S395-T413 CarbonylContact C-O 3.6Å; S395-T413 WeakPolarHBondContact CA-O 3.35Å; Y396-T413 PolarHBondContact N-O 3.13Å; Y396-T413 PolarHBondContact O-N 2.97Å; T413-D415 WeakPolarHBondContact CG2-O 3.49Å; T413-D415 PolarHBondContact OG1-N 2.89Å; T413-D415 PolarHBondContact OG1-OD2 3.03Å; T413-D415 VanDerWaalsContact OG1-OD2 3.12Å; T413-C418 HydrophobicContact CG2-CB 4.2Å |
| 414 | L | 90.6 | Very high | 82.9 | Confident | 130 Ų | 130 | 74.1 Ų | 74.1 | 68% | 0.681 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -91.9 | -20.8 | 163.7 | -75.8 | 165.6 | 0 | 0 | 0 | 111.9 | L394 | L394-L414 WeakPolarHBondContact O-CD2 3.44Š|
| 415 | D | 89.6 | Confident | 83.6 | Confident | 93 Ų | 93 | 74.8 Ų | 74.8 | 50% | 0.497 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -77.9 | 166.9 | -174.8 | -56.1 | -65.6 | 0 | 0 | 0 | 113.2 | W381 Y396 T413 H417 | W381-D415 WeakPolarHBondContact CZ2-O 3.38Å; Y396-D415 VanDerWaalsContact CD2-O 3.32Å; Y396-D415 WeakPolarHBondContact CD2-O 3.48Å; T413-D415 WeakPolarHBondContact CG2-O 3.49Å; T413-D415 PolarHBondContact OG1-N 2.89Å; T413-D415 PolarHBondContact OG1-OD2 3.03Å; T413-D415 VanDerWaalsContact OG1-OD2 3.12Å; D415-H417 PolarHBondContact O-N 3.47Å |
| 416 | N | 89.6 | Confident | 84.5 | Confident | 87 Ų | 87 | 70.9 Ų | 70.9 | 47% | 0.465 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -79.4 | 12 | 174.4 | -69.1 | -25.6 | 0 | 0 | 0 | 113.9 | W381 | W381-N416 PolarHBondContact N-O 2.99Å; W381-N416 WeakPolarHBondContact O-CB 3.3Å |
| 417 | H | 90.9 | Very high | 85.3 | Confident | 43 Ų | 43 | 71.7 Ų | 71.7 | 20% | 0.199 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 155.9 | -178.7 | 79.1 | -66.8 | 0 | 0 | 0 | 112.3 | L379 F380 W381 D415 | L379-H417 CarbonylContact O-C 3.57Å; L379-H417 WeakPolarHBondContact O-CA 3.38Å; L379-H417 WeakPolarHBondContact O-CB 3.37Å; F380-H417 HydrophobicContact CD1-CB 3.5Å; F380-H417 HydrophobicContact CE1-CB 3.88Å; F380-H417 HydrophobicContact CG-CB 4.27Å; W381-H417 VanDerWaalsContact CH2-C 3.42Å; D415-H417 PolarHBondContact O-N 3.47Å |
| 418 | C | 91 | Very high | 86.3 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 149.5 | 167.7 | -171 | 0 | 0 | 0 | 0 | 113.5 | L379 W381 C411 T413 | L379-C418 PolarHBondContact N-O 3.34Å; L379-C418 PolarHBondContact O-N 2.94Å; W381-C418 HydrophobicContact CH2-CB 3.85Å; W381-C418 HydrophobicContact CZ3-CB 4.33Å; C411-C418 HydrophobicContact CB-CB 3.96Å; C411-C418 WeakPolarHBondContact CB-SG 3.13Å; C411-C418 WeakPolarHBondContact SG-CB 3.06Å; C411-C418 CovalentContact SG-SG 2.02Å; C411-C418 PolarHBondContact SG-SG 3.04Å; T413-C418 HydrophobicContact CG2-CB 4.2Å |
| 419 | V | 89.6 | Confident | 87.1 | Confident | 67 Ų | 67 | 64.4 Ų | 64.4 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 131.7 | 173.5 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | L377 H378 | L377-V419 WeakPolarHBondContact O-CA 3.46Å; H378-V419 HydrophobicContact CB-CG2 4.44Å |
| 420 | F | 89.7 | Confident | 87.4 | Confident | 10 Ų | 10 | 62.7 Ų | 62.7 | 4% | 0.044 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 160.9 | 175.7 | 57.7 | -91.6 | 0 | 0 | 0 | 113 | L377 L379 V398 L410 L422 V429 | L377-F420 HydrophobicContact CB-CD2 4.46Å; L377-F420 HydrophobicContact CB-CE2 4.04Å; L377-F420 HydrophobicContact CB-CZ 4.17Å; L377-F420 HydrophobicContact CD1-CE2 3.92Å; L377-F420 HydrophobicContact CD1-CZ 4.38Å; L377-F420 PolarHBondContact N-O 2.79Å; L377-F420 PolarHBondContact O-N 2.8Å; L379-F420 HydrophobicContact CB-CE1 3.68Å; L379-F420 HydrophobicContact CB-CZ 4.28Å; L379-F420 HydrophobicContact CD2-CE1 3.98Å; L379-F420 HydrophobicContact CD2-CZ 4.36Å; L379-F420 HydrophobicContact CG-CE1 4.45Å; V398-F420 HydrophobicContact CB-CE1 4.5Å; V398-F420 HydrophobicContact CG1-CD1 4.27Å; V398-F420 HydrophobicContact CG1-CE1 3.79Å; V398-F420 HydrophobicContact CG1-CZ 3.98Å; V398-F420 HydrophobicContact CG2-CE1 4.43Å; L410-F420 HydrophobicContact CB-CB 4.27Å; L410-F420 HydrophobicContact CB-CD2 4.3Å; L410-F420 HydrophobicContact CB-CG 4.24Å; L410-F420 HydrophobicContact CD1-CD2 3.96Å; L410-F420 HydrophobicContact CD1-CE2 4.06Å; F420-L422 HydrophobicContact CE2-CB 4.42Å; F420-L422 HydrophobicContact CE2-CD1 4.38Å; F420-V429 HydrophobicContact CE2-CG1 4.09Å; F420-V429 HydrophobicContact CZ-CG1 4.34Å; F420-V429 HydrophobicContact CZ-CG2 4.22Å |
| 421 | Q | 87.4 | Confident | 87.6 | Confident | 93 Ų | 93 | 60 Ų | 60 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 135.8 | 176.1 | -64.2 | -62.1 | -47.2 | 0 | 0 | 111 | S374 S376 | S374-Q421 PolarHBondContact OG-OE1 3.48Å; S376-Q421 VanDerWaalsContact CB-NE2 3.3Å; S376-Q421 PolarHBondContact OG-NE2 3.38Å |
| 422 | L | 86.1 | Confident | 87.7 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 141.1 | 178.7 | -157.2 | 73.2 | 0 | 0 | 0 | 111.6 | L375 L377 L410 F420 A426 V429 V447 | L375-L422 PolarHBondContact N-O 2.96Å; L375-L422 PolarHBondContact O-N 3.1Å; L377-L422 HydrophobicContact CD1-CB 3.85Å; L377-L422 HydrophobicContact CD1-CD2 3.71Å; L377-L422 HydrophobicContact CD1-CG 4.42Å; L410-L422 HydrophobicContact CD1-CD1 3.68Å; L410-L422 HydrophobicContact CD2-CD1 4.48Å; F420-L422 HydrophobicContact CE2-CB 4.42Å; F420-L422 HydrophobicContact CE2-CD1 4.38Å; L422-A426 HydrophobicContact CD1-CB 4.28Å; L422-A426 HydrophobicContact CD2-CB 3.65Å; L422-A426 HydrophobicContact CG-CB 3.7Å; L422-V429 HydrophobicContact CD1-CG1 3.84Å; L422-V429 HydrophobicContact CD2-CG1 3.77Å; L422-V429 HydrophobicContact CG-CG1 4.5Å; L422-V447 HydrophobicContact CD2-CG1 4.23Å; L422-V447 HydrophobicContact CD2-CG2 3.78Å |
| 423 | P | 83.6 | Confident | 87.8 | Confident | 63 Ų | 63 | 54.5 Ų | 54.5 | 41% | 0.409 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 139.8 | 174.8 | -22.3 | 33.9 | 0 | 0 | 0 | 112 | G425 A426 | P423-G425 PolarHBondContact O-N 2.97Å; P423-A426 WeakPolarHBondContact O-CB 3.47Å; P423-A426 PolarHBondContact O-N 2.04Å |
| 424 | R | 75.5 | Confident | 87.8 | Confident | 107 Ų | 107 | 53.7 Ų | 53.7 | 40% | 0.404 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -23.5 | -174.3 | -71 | -174.4 | 174.6 | -149.1 | -7.1 | 115.9 | Q449 | R424-Q449 PolarHBondContact O-NE2 3.03Š|
| 425 | G | 75.8 | Confident | 87.9 | Confident | 71 Ų | 71 | 48 Ų | 48 | 73% | 0.732 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | P423 R427 | P423-G425 PolarHBondContact O-N 2.97Å; G425-R427 PolarHBondContact O-N 3.18Å |
| 426 | A | 81.8 | Confident | 87.9 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | trans | -80.6 | 117.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | L422 P423 | L422-A426 HydrophobicContact CD1-CB 4.28Å; L422-A426 HydrophobicContact CD2-CB 3.65Å; L422-A426 HydrophobicContact CG-CB 3.7Å; P423-A426 WeakPolarHBondContact O-CB 3.47Å; P423-A426 PolarHBondContact O-N 2.04Å | ||
| 427 | R | 82.5 | Confident | 87.9 | Confident | 213 Ų | 213 | 45.8 Ų | 45.8 | 80% | 0.804 | 26% | 0.257 | S | S | * | . | trans | -89.5 | -16.7 | -174.9 | -61.4 | -172.4 | -177.8 | -163.5 | 1 | 115.1 | G425 V447 | G425-R427 PolarHBondContact O-N 3.18Å; R427-V447 PolarHBondContact O-N 2.87Å | ||
| 428 | K | 87.4 | Confident | 87.8 | Confident | 75 Ų | 75 | 45.1 Ų | 45.1 | 33% | 0.326 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 154.3 | -174.4 | -54.5 | -162.4 | -174.2 | -155.9 | 0 | 111.9 | E444 V445 E446 | K428-E444 HydrophobicContact CD-CG 3.85Å; K428-E444 WeakPolarHBondContact CD-OE1 3.07Å; K428-E444 WeakPolarHBondContact CE-OE1 3.49Å; K428-E444 IonicContact NZ-OE1 2.7Å; K428-E444 PolarHBondContact NZ-OE1 3.06Å; K428-V445 CarbonylContact C-O 3.53Å; K428-V445 VanDerWaalsContact CA-O 3.24Å; K428-V445 WeakPolarHBondContact CA-O 3.36Å; K428-E446 HydrophobicContact CD-CG 4.13Å; K428-E446 WeakPolarHBondContact CE-OE1 3.34Å; K428-E446 HydrophobicContact CG-CG 4.34Å; K428-E446 IonicContact NZ-OE1 2.66Å; K428-E446 PolarHBondContact NZ-OE1 2.86Å |
| 429 | V | 91.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 167.4 | 166.9 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | V398 L410 F420 L422 V445 V447 | V398-V429 HydrophobicContact CG1-CB 4.32Å; V398-V429 HydrophobicContact CG1-CG2 4.28Å; L410-V429 HydrophobicContact CD1-CG1 3.95Å; F420-V429 HydrophobicContact CE2-CG1 4.09Å; F420-V429 HydrophobicContact CZ-CG1 4.34Å; F420-V429 HydrophobicContact CZ-CG2 4.22Å; L422-V429 HydrophobicContact CD1-CG1 3.84Å; L422-V429 HydrophobicContact CD2-CG1 3.77Å; L422-V429 HydrophobicContact CG-CG1 4.5Å; V429-V445 HydrophobicContact CG2-CB 3.93Å; V429-V445 HydrophobicContact CG2-CG1 4.47Å; V429-V445 PolarHBondContact N-O 3.33Å; V429-V445 PolarHBondContact O-N 3.26Å; V429-V447 HydrophobicContact CG1-CG2 4.19Å |
| 430 | F | 91.6 | Very high | 87.9 | Confident | 28 Ų | 28 | 45.2 Ų | 45.2 | 12% | 0.123 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.2 | 179.1 | -61.6 | -81.2 | 0 | 0 | 0 | 110.2 | V398 S399 R402 P442 T443 E444 | V398-F430 CarbonylContact C-O 3.59Å; V398-F430 WeakPolarHBondContact CA-O 3.44Å; S399-F430 PolarHBondContact N-O 3.12Å; S399-F430 PolarHBondContact O-N 3.38Å; R402-F430 HydrophobicContact CB-CD1 4.39Å; R402-F430 HydrophobicContact CB-CD2 4.46Å; R402-F430 HydrophobicContact CB-CE1 4.12Å; R402-F430 HydrophobicContact CB-CE2 4.19Å; R402-F430 HydrophobicContact CB-CZ 4.01Å; R402-F430 HydrophobicContact CG-CD1 4.19Å; R402-F430 HydrophobicContact CG-CE1 3.96Å; R402-F430 HydrophobicContact CG-CZ 4.33Å; F430-P442 HydrophobicContact CB-CB 4.02Å; F430-P442 HydrophobicContact CD1-CB 4.08Å; F430-P442 HydrophobicContact CG-CB 4.41Å; F430-T443 CarbonylContact C-O 3.59Å; F430-T443 WeakPolarHBondContact CA-O 3.48Å; F430-E444 HydrophobicContact CD1-CB 4.3Å; F430-E444 HydrophobicContact CD1-CG 4.47Å; F430-E444 HydrophobicContact CE1-CB 4.13Å; F430-E444 HydrophobicContact CE1-CG 3.93Å |
| 431 | L | 92.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124.4 | 178.9 | 173.8 | 68.7 | 0 | 0 | 0 | 109.3 | L360 W381 V397 V398 T443 V445 | L360-L431 HydrophobicContact CB-CD2 4Å; L360-L431 HydrophobicContact CD1-CD2 3.71Å; L360-L431 HydrophobicContact CD1-CG 3.82Å; W381-L431 HydrophobicContact CB-CD2 3.68Å; W381-L431 HydrophobicContact CD2-CD1 3.93Å; W381-L431 HydrophobicContact CD2-CD2 3.75Å; W381-L431 HydrophobicContact CE3-CD1 3.96Å; W381-L431 HydrophobicContact CE3-CD2 3.92Å; W381-L431 HydrophobicContact CG-CD2 3.67Å; W381-L431 HydrophobicContact CH2-CD1 4.26Å; W381-L431 HydrophobicContact CZ2-CD1 4.22Å; W381-L431 HydrophobicContact CZ3-CD1 4.14Å; V397-L431 WeakPolarHBondContact O-CA 3.21Å; V398-L431 HydrophobicContact CG2-CD1 4Å; L431-T443 PolarHBondContact N-O 3.46Å; L431-T443 WeakPolarHBondContact O-CB 3.39Å; L431-T443 PolarHBondContact O-N 2.65Å; L431-V445 HydrophobicContact CB-CG2 4.1Å |
| 432 | S | 92.2 | Very high | 87.9 | Confident | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 154.6 | 174.8 | 58.2 | 0 | 0 | 0 | 0 | 112 | Y396 V397 S440 | Y396-S432 WeakPolarHBondContact CA-O 3.1Å; V397-S432 PolarHBondContact N-O 3.43Å; V397-S432 PolarHBondContact O-N 2.68Å; S432-S440 WeakPolarHBondContact CA-OG 3.36Å; S432-S440 WeakPolarHBondContact CB-OG 3.43Å |
| 433 | A | 93.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P356 F387 I393 Y396 T439 S440 | P356-A433 HydrophobicContact CB-CB 4.33Å; P356-A433 HydrophobicContact CG-CB 4.31Å; F387-A433 HydrophobicContact CE2-CB 4.24Å; F387-A433 HydrophobicContact CZ-CB 3.92Å; I393-A433 HydrophobicContact CD1-CB 4.28Å; Y396-A433 HydrophobicContact CD1-CB 3.79Å; Y396-A433 HydrophobicContact CE1-CB 3.68Å; A433-T439 CarbonylContact O-C 3.16Å; A433-T439 WeakPolarHBondContact O-CA 3.47Å; A433-S440 PolarHBondContact N-OG 3.19Å; A433-S440 PolarHBondContact O-N 3.04Å |
| 434 | G | 92.1 | Very high | 88.4 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 6% | 0.062 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 140.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I393 L394 S395 G438 | I393-G434 WeakPolarHBondContact CA-O 3.27Å; L394-G434 PolarHBondContact N-O 3.19Å; S395-G434 PolarHBondContact N-O 3.18Å; S395-G434 PolarHBondContact O-N 2.85Å; G434-G438 WeakPolarHBondContact CA-O 3.41Å |
| 435 | N | 92.3 | Very high | 89.1 | Confident | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.064 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | -172.1 | 163.3 | 67.8 | 16.1 | 0 | 0 | 0 | 110 | R354 P356 A389 K392 A437 G438 | R354-N435 PolarHBondContact O-ND2 2.88Å; P356-N435 HydrophobicContact CG-CB 4.21Å; A389-N435 PolarHBondContact O-ND2 2.86Å; K392-N435 WeakPolarHBondContact O-CA 3.26Å; K392-N435 WeakPolarHBondContact O-CB 3.48Å; N435-A437 PolarHBondContact O-N 2.63Å; N435-A437 WeakPolarHBondContact OD1-CA 3.44Å; N435-A437 PolarHBondContact OD1-N 2.84Å; N435-G438 PolarHBondContact N-O 3.35Å; N435-G438 PolarHBondContact O-N 2.95Å; N435-G438 PolarHBondContact OD1-N 3.25Å; N435-G438 VanDerWaalsContact OD1-N 3.15Å; N435-G438 PolarHBondContact OD1-O 2.8Å |
| 436 | A | 90.3 | Very high | 89.5 | Confident | 82 Ų | 82 | 43.5 Ų | 43.5 | 68% | 0.678 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -25.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | E353 L394 | E353-A436 WeakPolarHBondContact OE2-CB 3.38Å; E353-A436 PolarHBondContact OE2-N 3.14Å; L394-A436 HydrophobicContact CD1-CB 4.15Å |
| 437 | A | 88.8 | Confident | 89.5 | Confident | 51 Ų | 51 | 43.4 Ų | 43.4 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -7.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E353 N435 | E353-A437 HydrophobicContact CB-CB 3.79Å; N435-A437 PolarHBondContact O-N 2.63Å; N435-A437 WeakPolarHBondContact OD1-CA 3.44Å; N435-A437 PolarHBondContact OD1-N 2.84Å |
| 438 | G | 90.1 | Very high | 89.2 | Confident | 28 Ų | 28 | 35 Ų | 35 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.6 | -168.4 | 172 | 0 | 0 | 0 | 0 | 0 | 114.8 | P356 G434 N435 | P356-G438 VanDerWaalsContact CD-O 3.3Å; P356-G438 WeakPolarHBondContact CD-O 3.42Å; G434-G438 WeakPolarHBondContact CA-O 3.41Å; N435-G438 PolarHBondContact N-O 3.35Å; N435-G438 PolarHBondContact O-N 2.95Å; N435-G438 PolarHBondContact OD1-N 3.25Å; N435-G438 VanDerWaalsContact OD1-N 3.15Å; N435-G438 PolarHBondContact OD1-O 2.8Å |
| 439 | T | 89.7 | Confident | 88.3 | Confident | 80 Ų | 80 | 35.6 Ų | 35.6 | 49% | 0.491 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 146.2 | -178.7 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | A433 | A433-T439 CarbonylContact O-C 3.16Å; A433-T439 WeakPolarHBondContact O-CA 3.47Å |
| 440 | S | 91.4 | Very high | 87 | Confident | 9 Ų | 9 | 39.7 Ų | 39.7 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 164.7 | 174.5 | 77.5 | 0 | 0 | 0 | 0 | 113.2 | P356 S432 A433 | P356-S440 WeakPolarHBondContact O-CA 3.39Å; P356-S440 WeakPolarHBondContact O-CB 3.45Å; S432-S440 WeakPolarHBondContact CA-OG 3.36Å; S432-S440 WeakPolarHBondContact CB-OG 3.43Å; A433-S440 PolarHBondContact N-OG 3.19Å; A433-S440 PolarHBondContact O-N 3.04Å |
| 441 | S | 89.2 | Confident | 85.7 | Confident | 76 Ų | 76 | 44.5 Ų | 44.5 | 53% | 0.531 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 139.3 | 157.6 | 42.4 | 0 | 0 | 0 | 0 | 109.7 | T443 | S441-T443 PolarHBondContact O-N 3.15Š|
| 442 | P | 89.4 | Confident | 84.3 | Confident | 43 Ų | 43 | 49.4 Ų | 49.4 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 124.1 | -179.4 | 27.2 | -33.9 | 0 | 0 | 0 | 110.4 | R402 F430 | R402-P442 HydrophobicContact CG-CG 3.65Å; F430-P442 HydrophobicContact CB-CB 4.02Å; F430-P442 HydrophobicContact CD1-CB 4.08Å; F430-P442 HydrophobicContact CG-CB 4.41Å |
| 443 | T | 90.3 | Very high | 83.4 | Confident | 13 Ų | 13 | 52 Ų | 52 | 8% | 0.08 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 126 | 165.8 | -60.5 | 0 | 0 | 0 | 0 | 108.2 | L360 F430 L431 S441 V445 | L360-T443 PolarHBondContact N-OG1 2.71Å; L360-T443 WeakPolarHBondContact O-CG2 3.48Å; F430-T443 CarbonylContact C-O 3.59Å; F430-T443 WeakPolarHBondContact CA-O 3.48Å; L431-T443 PolarHBondContact N-O 3.46Å; L431-T443 WeakPolarHBondContact O-CB 3.39Å; L431-T443 PolarHBondContact O-N 2.65Å; S441-T443 PolarHBondContact O-N 3.15Å; T443-V445 HydrophobicContact CG2-CG2 4.49Å |
| 444 | E | 89.8 | Confident | 82.7 | Confident | 91 Ų | 91 | 55 Ų | 55 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 121.1 | 177.4 | -173.3 | 173.1 | 152.8 | 0 | 0 | 109.3 | K428 F430 | K428-E444 HydrophobicContact CD-CG 3.85Å; K428-E444 WeakPolarHBondContact CD-OE1 3.07Å; K428-E444 WeakPolarHBondContact CE-OE1 3.49Å; K428-E444 IonicContact NZ-OE1 2.7Å; K428-E444 PolarHBondContact NZ-OE1 3.06Å; F430-E444 HydrophobicContact CD1-CB 4.3Å; F430-E444 HydrophobicContact CD1-CG 4.47Å; F430-E444 HydrophobicContact CE1-CB 4.13Å; F430-E444 HydrophobicContact CE1-CG 3.93Å |
| 445 | V | 88.9 | Confident | 82.4 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.4 | -178 | -172.2 | 0 | 0 | 0 | 0 | 108.9 | M364 L379 K428 V429 L431 T443 | M364-V445 HydrophobicContact CE-CG1 3.55Å; L379-V445 HydrophobicContact CD1-CG1 3.85Å; K428-V445 CarbonylContact C-O 3.53Å; K428-V445 VanDerWaalsContact CA-O 3.24Å; K428-V445 WeakPolarHBondContact CA-O 3.36Å; V429-V445 HydrophobicContact CG2-CB 3.93Å; V429-V445 HydrophobicContact CG2-CG1 4.47Å; V429-V445 PolarHBondContact N-O 3.33Å; V429-V445 PolarHBondContact O-N 3.26Å; L431-V445 HydrophobicContact CB-CG2 4.1Å; T443-V445 HydrophobicContact CG2-CG2 4.49Å |
| 446 | E | 85.3 | Confident | 82.2 | Confident | 81 Ų | 81 | 56 Ų | 56 | 38% | 0.379 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 129.8 | -178.6 | -58.5 | -168 | 130.6 | 0 | 0 | 110.9 | M364 K428 F448 | M364-E446 WeakPolarHBondContact CE-O 3.48Å; K428-E446 HydrophobicContact CD-CG 4.13Å; K428-E446 WeakPolarHBondContact CE-OE1 3.34Å; K428-E446 HydrophobicContact CG-CG 4.34Å; K428-E446 IonicContact NZ-OE1 2.66Å; K428-E446 PolarHBondContact NZ-OE1 2.86Å; E446-F448 HydrophobicContact CB-CD2 4.42Å; E446-F448 HydrophobicContact CB-CE1 4.18Å; E446-F448 HydrophobicContact CB-CE2 3.72Å; E446-F448 HydrophobicContact CB-CZ 3.57Å; E446-F448 HydrophobicContact CG-CZ 4.48Å; E446-F448 WeakPolarHBondContact O-CD2 3.3Å; E446-F448 PolarHBondContact O-N 2.87Å; E446-F448 WeakPolarHBondContact OE2-CZ 3.25Å |
| 447 | V | 82.3 | Confident | 82.1 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | trans | -90.2 | 89.1 | -177 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | M364 L377 L422 R427 V429 | M364-V447 HydrophobicContact CE-CB 4.45Å; M364-V447 HydrophobicContact CE-CG2 4.07Å; M364-V447 HydrophobicContact SD-CB 4.32Å; M364-V447 HydrophobicContact SD-CG1 4.15Å; M364-V447 HydrophobicContact SD-CG2 4.41Å; L377-V447 HydrophobicContact CD1-CG1 3.75Å; L377-V447 HydrophobicContact CD1-CG2 4.32Å; L377-V447 HydrophobicContact CD2-CG1 4.44Å; L422-V447 HydrophobicContact CD2-CG1 4.23Å; L422-V447 HydrophobicContact CD2-CG2 3.78Å; R427-V447 PolarHBondContact O-N 2.87Å; V429-V447 HydrophobicContact CG1-CG2 4.19Å | ||
| 448 | F | 74.6 | Confident | 82.1 | Confident | 36 Ų | 36 | 57.1 Ų | 57.1 | 16% | 0.158 | 34% | 0.336 | C | S | . | . | trans | -79.1 | 129.2 | 174.2 | -56.5 | -72.7 | 0 | 0 | 0 | 110 | E446 I535 | E446-F448 HydrophobicContact CB-CD2 4.42Å; E446-F448 HydrophobicContact CB-CE1 4.18Å; E446-F448 HydrophobicContact CB-CE2 3.72Å; E446-F448 HydrophobicContact CB-CZ 3.57Å; E446-F448 HydrophobicContact CG-CZ 4.48Å; E446-F448 WeakPolarHBondContact O-CD2 3.3Å; E446-F448 PolarHBondContact O-N 2.87Å; E446-F448 WeakPolarHBondContact OE2-CZ 3.25Å; F448-I535 HydrophobicContact CB-CB 4.3Å; F448-I535 HydrophobicContact CB-CD1 3.64Å; F448-I535 HydrophobicContact CB-CG1 3.66Å; F448-I535 HydrophobicContact CD2-CD1 3.72Å; F448-I535 HydrophobicContact CD2-CG1 3.99Å; F448-I535 HydrophobicContact CG-CD1 3.93Å; F448-I535 HydrophobicContact CG-CG1 3.83Å | ||
| 449 | Q | 68.4 | Low | 82.2 | Confident | 88 Ų | 88 | 56 Ų | 56 | 41% | 0.411 | 32% | 0.323 | S | S | . | . | trans | -89.5 | 142.5 | 166.3 | -65.9 | 171.8 | 5.5 | 0 | 0 | 108 | L375 R424 R451 | L375-Q449 HydrophobicContact CD2-CG 4.43Å; R424-Q449 PolarHBondContact O-NE2 3.03Å; Q449-R451 PolarHBondContact O-N 2.95Å | ||
| 450 | H | 65.1 | Low | 82.3 | Confident | 85 Ų | 85 | 56.7 Ų | 56.7 | 39% | 0.394 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -62.1 | 109.2 | 166.8 | -70.1 | -67.9 | 0 | 0 | 0 | 108.4 | Y528 G536 | H450-Y528 AromaticContact CE1-CE1 3.84Å; H450-G536 PolarHBondContact ND1-O 2.91Å |
| 451 | R | 64.3 | Low | 82.5 | Confident | 129 Ų | 129 | 57.5 Ų | 57.5 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | trans | -92.8 | 155.6 | 165.9 | -64.7 | -174.1 | -172.7 | -174.4 | 9.9 | 107.5 | Q449 L453 D533 | Q449-R451 PolarHBondContact O-N 2.95Å; R451-L453 HydrophobicContact CB-CD1 4Å; R451-L453 HydrophobicContact CB-CG 3.84Å; R451-L453 PolarHBondContact O-N 3.25Å; R451-D533 PolarHBondContact NE-O 3.4Å; R451-D533 PolarHBondContact NH2-O 2.91Å | ||
| 452 | A | 63 | Low | 82.6 | Confident | 103 Ų | 103 | 57.9 Ų | 57.9 | 85% | 0.851 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -72 | 65.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 453 | L | 73.1 | Confident | 82.7 | Confident | 57 Ų | 57 | 59.9 Ų | 59.9 | 30% | 0.298 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -101.8 | 151.7 | 171.2 | -59.2 | 169.6 | 0 | 0 | 0 | 107.8 | R451 Y531 L537 | R451-L453 HydrophobicContact CB-CD1 4Å; R451-L453 HydrophobicContact CB-CG 3.84Å; R451-L453 PolarHBondContact O-N 3.25Å; L453-Y531 HydrophobicContact CB-CD2 4.01Å; L453-Y531 HydrophobicContact CB-CE2 3.74Å; L453-Y531 HydrophobicContact CD1-CD2 3.63Å; L453-Y531 HydrophobicContact CD1-CE2 4.25Å; L453-Y531 HydrophobicContact CD1-CG 3.8Å; L453-Y531 HydrophobicContact CG-CD2 4.43Å; L453-L537 PolarHBondContact O-N 2.87Å |
| 454 | A | 79.2 | Confident | 82.8 | Confident | 63 Ų | 63 | 64.7 Ų | 64.7 | 52% | 0.521 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 146.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.7 | P529 Y531 | A454-P529 VanDerWaalsContact O-CG 3.28Å; A454-P529 WeakPolarHBondContact O-CG 3.47Å; A454-Y531 PolarHBondContact O-OH 2.98Å |
| 455 | A | 85.4 | Confident | 82.8 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 172.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I476 L537 | A455-I476 WeakPolarHBondContact O-CD1 3.43Å; A455-L537 VanDerWaalsContact CA-O 3.29Å; A455-L537 WeakPolarHBondContact CA-O 3.28Å; A455-L537 HydrophobicContact CB-CB 4.25Å; A455-L537 WeakPolarHBondContact CB-O 3.27Å |
| 456 | V | 88.5 | Confident | 82.8 | Confident | 4 Ų | 4 | 68.9 Ų | 68.9 | 2% | 0.024 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 161.3 | 155.7 | -69.8 | 0 | 0 | 0 | 0 | 109.6 | V459 W473 I476 Y484 V527 P529 Q539 | V456-V459 HydrophobicContact CG2-CG2 3.48Å; V456-V459 VanDerWaalsContact CG2-CG2 3.48Å; V456-W473 HydrophobicContact CB-CB 4.43Å; V456-W473 HydrophobicContact CG1-CG 4.44Å; V456-I476 HydrophobicContact CG1-CD1 3.95Å; V456-I476 HydrophobicContact CG1-CG1 4.25Å; V456-Y484 HydrophobicContact CG1-CD1 3.78Å; V456-Y484 HydrophobicContact CG1-CE1 3.6Å; V456-V527 HydrophobicContact CG1-CG1 4.28Å; V456-V527 HydrophobicContact CG2-CB 3.91Å; V456-V527 HydrophobicContact CG2-CG1 3.84Å; V456-P529 HydrophobicContact CG1-CB 4.2Å; V456-P529 HydrophobicContact CG1-CG 4.38Å; V456-Q539 HydrophobicContact CG2-CB 3.94Å; V456-Q539 PolarHBondContact O-OE1 3.39Å |
| 457 | S | 87.6 | Confident | 83.1 | Confident | 65 Ų | 65 | 71 Ų | 71 | 46% | 0.455 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 161.1 | 170.8 | -57.9 | 0 | 0 | 0 | 0 | 110.3 | V459 T474 | S457-V459 VanDerWaalsContact C-N 3.25Å; S457-V459 PolarHBondContact O-N 2.84Å; S457-V459 VanDerWaalsContact O-N 3.16Å; S457-T474 PolarHBondContact O-N 2.86Å |
| 458 | D | 87.9 | Confident | 83.7 | Confident | 93 Ų | 93 | 70.4 Ų | 70.4 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.5 | 34.3 | 166.5 | -36.5 | -55.8 | 0 | 0 | 0 | 114.2 | N460 T474 | D458-N460 PolarHBondContact O-N 2.8Å; D458-T474 VanDerWaalsContact OD2-CB 3.28Å; D458-T474 WeakPolarHBondContact OD2-CB 3.44Å; D458-T474 PolarHBondContact OD2-OG1 3.4Å |
| 459 | V | 92.9 | Very high | 84.7 | Confident | 5 Ų | 5 | 68.7 Ų | 68.7 | 3% | 0.03 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 111.4 | 169 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | V456 S457 V471 Q472 W473 V527 Q539 V541 | V456-V459 HydrophobicContact CG2-CG2 3.48Å; V456-V459 VanDerWaalsContact CG2-CG2 3.48Å; S457-V459 VanDerWaalsContact C-N 3.25Å; S457-V459 PolarHBondContact O-N 2.84Å; S457-V459 VanDerWaalsContact O-N 3.16Å; V459-V471 HydrophobicContact CG1-CG1 4.35Å; V459-Q472 CarbonylContact C-O 3.55Å; V459-Q472 VanDerWaalsContact CA-O 3.25Å; V459-Q472 WeakPolarHBondContact CA-O 3.5Å; V459-W473 HydrophobicContact CG2-CB 3.84Å; V459-V527 HydrophobicContact CG1-CG2 3.86Å; V459-V527 HydrophobicContact CG2-CB 3.87Å; V459-V527 HydrophobicContact CG2-CG2 3.81Å; V459-Q539 HydrophobicContact CB-CB 4.38Å; V459-Q539 HydrophobicContact CB-CG 3.94Å; V459-Q539 HydrophobicContact CG2-CB 3.79Å; V459-Q539 HydrophobicContact CG2-CG 3.9Å; V459-Q539 VanDerWaalsContact N-OE1 3.08Å; V459-V541 HydrophobicContact CB-CG2 4.16Å; V459-V541 HydrophobicContact CG1-CG2 3.8Å |
| 460 | N | 92.6 | Very high | 86 | Confident | 93 Ų | 93 | 66.6 Ų | 66.6 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 144.1 | 172.1 | -72.2 | -45.2 | 0 | 0 | 0 | 109 | D458 Q472 | D458-N460 PolarHBondContact O-N 2.8Å; N460-Q472 PolarHBondContact N-O 3.37Å; N460-Q472 PolarHBondContact O-N 2.99Å |
| 461 | V | 93.8 | Very high | 87.4 | Confident | 27 Ų | 27 | 62.5 Ų | 62.5 | 16% | 0.164 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123.3 | 173.3 | -170.7 | 0 | 0 | 0 | 0 | 108.7 | L469 L470 V471 I525 V541 A543 | V461-L469 HydrophobicContact CG1-CB 3.94Å; V461-L469 HydrophobicContact CG1-CD1 4.31Å; V461-L469 HydrophobicContact CG1-CD2 4.12Å; V461-L469 HydrophobicContact CG1-CG 4.36Å; V461-L470 WeakPolarHBondContact CA-O 3.28Å; V461-V471 HydrophobicContact CG1-CG2 4.33Å; V461-V471 HydrophobicContact CG2-CG1 4.39Å; V461-V471 HydrophobicContact CG2-CG2 4.41Å; V461-I525 HydrophobicContact CB-CD1 4.47Å; V461-I525 HydrophobicContact CG1-CD1 3.73Å; V461-I525 HydrophobicContact CG2-CB 4.44Å; V461-I525 HydrophobicContact CG2-CD1 4.02Å; V461-I525 HydrophobicContact CG2-CG2 4.38Å; V461-V541 HydrophobicContact CG2-CB 4.32Å; V461-V541 HydrophobicContact CG2-CG1 4.21Å; V461-A543 HydrophobicContact CB-CB 3.91Å; V461-A543 HydrophobicContact CG1-CB 3.66Å; V461-A543 HydrophobicContact CG2-CB 4.4Å |
| 462 | L | 92.6 | Very high | 88.9 | Confident | 83 Ų | 83 | 59.8 Ų | 59.8 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 140.7 | -178.8 | -58.4 | 175.8 | 0 | 0 | 0 | 109.9 | L470 | L462-L470 PolarHBondContact N-O 3.32Å; L462-L470 PolarHBondContact O-N 3.23Å |
| 463 | P | 91.9 | Very high | 90.4 | Very high | 86 Ų | 86 | 55.4 Ų | 55.4 | 56% | 0.558 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 140.9 | 167.8 | 30.4 | -34.4 | 0 | 0 | 0 | 110 | S545 | P463-S545 VanDerWaalsContact CB-O 3.28Å; P463-S545 WeakPolarHBondContact CB-O 3.33Å |
| 464 | H | 90.8 | Very high | 91.2 | Very high | 113 Ų | 113 | 55.9 Ų | 55.9 | 52% | 0.523 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -57.4 | 175.2 | -173.1 | 64.3 | 0 | 0 | 0 | 109.8 | S468 L470 L512 | H464-S468 WeakPolarHBondContact CB-OG 3.45Å; H464-S468 PolarHBondContact N-O 2.85Å; H464-L470 HydrophobicContact CB-CB 4.5Å; H464-L512 HydrophobicContact CB-CD1 3.77Å |
| 465 | D | 89.6 | Confident | 91.5 | Very high | 95 Ų | 95 | 54.2 Ų | 54.2 | 51% | 0.508 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 179.4 | 169.4 | -44.4 | -75.1 | 0 | 0 | 0 | 110.7 | R467 S468 | D465-R467 PolarHBondContact O-N 3.34Å; D465-S468 VanDerWaalsContact CB-OG 3.27Å; D465-S468 WeakPolarHBondContact CB-OG 3.15Å; D465-S468 VanDerWaalsContact CG-OG 3.25Å; D465-S468 PolarHBondContact N-OG 2.84Å; D465-S468 PolarHBondContact O-N 3.04Å; D465-S468 WeakPolarHBondContact OD2-CB 3.46Å; D465-S468 PolarHBondContact OD2-OG 3.18Å |
| 466 | E | 89.8 | Confident | 91.4 | Very high | 91 Ų | 91 | 54.1 Ų | 54.1 | 43% | 0.425 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -23.6 | 175.1 | -47.1 | -158.6 | 155.1 | 0 | 0 | 114 | S545 R546 | E466-S545 VanDerWaalsContact O-CB 3.32Å; E466-S545 WeakPolarHBondContact O-CB 3.37Å; E466-S545 PolarHBondContact O-OG 2.57Å; E466-R546 HydrophobicContact CB-CG 4.26Å; E466-R546 VanDerWaalsContact CD-NH1 3.31Å; E466-R546 HydrophobicContact CG-CG 4.4Å; E466-R546 IonicContact OE1-CZ 3.57Å; E466-R546 IonicContact OE1-NH1 3.61Å; E466-R546 PolarHBondContact OE1-NH1 2.92Å; E466-R546 IonicContact OE1-NH2 3.33Å; E466-R546 PolarHBondContact OE1-NH2 2.71Å |
| 467 | R | 92.8 | Very high | 90.7 | Very high | 125 Ų | 125 | 62.5 Ų | 62.5 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 24.5 | -172.9 | -67.2 | 173 | 165.9 | -79.6 | -10.3 | 112.2 | D465 E518 | D465-R467 PolarHBondContact O-N 3.34Å; R467-E518 IonicContact CZ-OE1 2.68Å; R467-E518 IonicContact CZ-OE2 3.14Å; R467-E518 IonicContact NH1-OE1 2.7Å; R467-E518 PolarHBondContact NH1-OE1 3.47Å; R467-E518 IonicContact NH1-OE2 3.36Å; R467-E518 PolarHBondContact NH1-OE2 3.42Å; R467-E518 IonicContact NH2-OE1 2.77Å; R467-E518 IonicContact NH2-OE2 3.49Å; R467-E518 PolarHBondContact NH2-OE2 2.88Å |
| 468 | S | 94.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 147.8 | 178.7 | 72.7 | 0 | 0 | 0 | 0 | 112.7 | H464 D465 I513 | H464-S468 WeakPolarHBondContact CB-OG 3.45Å; H464-S468 PolarHBondContact N-O 2.85Å; D465-S468 VanDerWaalsContact CB-OG 3.27Å; D465-S468 WeakPolarHBondContact CB-OG 3.15Å; D465-S468 VanDerWaalsContact CG-OG 3.25Å; D465-S468 PolarHBondContact N-OG 2.84Å; D465-S468 PolarHBondContact O-N 3.04Å; D465-S468 WeakPolarHBondContact OD2-CB 3.46Å; D465-S468 PolarHBondContact OD2-OG 3.18Å; S468-I513 CarbonylContact C-O 3.53Å; S468-I513 VanDerWaalsContact CA-O 3.28Å; S468-I513 WeakPolarHBondContact CA-O 3.45Å |
| 469 | L | 94.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 129.2 | -178.7 | -69.8 | 173.5 | 0 | 0 | 0 | 109.7 | V461 I513 I517 I525 A543 | V461-L469 HydrophobicContact CG1-CB 3.94Å; V461-L469 HydrophobicContact CG1-CD1 4.31Å; V461-L469 HydrophobicContact CG1-CD2 4.12Å; V461-L469 HydrophobicContact CG1-CG 4.36Å; L469-I513 HydrophobicContact CB-CD1 4.26Å; L469-I513 HydrophobicContact CB-CG1 3.8Å; L469-I513 PolarHBondContact N-O 3.37Å; L469-I513 WeakPolarHBondContact O-CG1 3.29Å; L469-I513 PolarHBondContact O-N 3.29Å; L469-I517 HydrophobicContact CD1-CD1 4.44Å; L469-I517 HydrophobicContact CD1-CG2 4.44Å; L469-I517 HydrophobicContact CG-CG2 4.4Å; L469-I525 HydrophobicContact CD1-CD1 3.79Å; L469-A543 HydrophobicContact CD1-CB 4.05Å |
| 470 | L | 95.5 | Very high | 89.4 | Confident | 43 Ų | 43 | 63.3 Ų | 63.3 | 23% | 0.225 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 108.8 | 174.3 | 178.7 | 60.8 | 0 | 0 | 0 | 109 | V461 L462 H464 Q472 L512 | V461-L470 WeakPolarHBondContact CA-O 3.28Å; L462-L470 PolarHBondContact N-O 3.32Å; L462-L470 PolarHBondContact O-N 3.23Å; H464-L470 HydrophobicContact CB-CB 4.5Å; L470-Q472 HydrophobicContact CD2-CG 4.48Å; L470-Q472 HydrophobicContact CG-CG 4.02Å; L470-L512 HydrophobicContact CB-CD1 4.3Å |
| 471 | V | 95.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 131 | 175.6 | -171.6 | 0 | 0 | 0 | 0 | 108.3 | V459 V461 W473 V486 S510 T511 I513 I525 V527 | V459-V471 HydrophobicContact CG1-CG1 4.35Å; V461-V471 HydrophobicContact CG1-CG2 4.33Å; V461-V471 HydrophobicContact CG2-CG1 4.39Å; V461-V471 HydrophobicContact CG2-CG2 4.41Å; V471-W473 HydrophobicContact CB-CZ3 4.34Å; V471-W473 HydrophobicContact CG1-CE3 4.02Å; V471-W473 HydrophobicContact CG1-CZ3 4.02Å; V471-V486 HydrophobicContact CG1-CG1 4.44Å; V471-V486 HydrophobicContact CG2-CG1 4.39Å; V471-S510 CarbonylContact O-C 3.58Å; V471-S510 WeakPolarHBondContact O-CA 3.18Å; V471-S510 VanDerWaalsContact O-CB 3.31Å; V471-S510 WeakPolarHBondContact O-CB 3.48Å; V471-T511 HydrophobicContact CB-CG2 4.33Å; V471-T511 PolarHBondContact N-O 2.98Å; V471-T511 PolarHBondContact O-N 3.5Å; V471-I513 HydrophobicContact CG2-CD1 4.21Å; V471-I513 HydrophobicContact CG2-CG1 4.35Å; V471-I525 HydrophobicContact CG1-CG2 4.18Å; V471-I525 HydrophobicContact CG2-CD1 4.36Å; V471-I525 HydrophobicContact CG2-CG2 3.95Å; V471-V527 HydrophobicContact CG1-CG2 3.83Å |
| 472 | Q | 95.1 | Very high | 88.8 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 149.5 | 179.8 | -54.6 | -172.1 | -37.3 | 0 | 0 | 109.8 | V459 N460 L470 S509 | V459-Q472 CarbonylContact C-O 3.55Å; V459-Q472 VanDerWaalsContact CA-O 3.25Å; V459-Q472 WeakPolarHBondContact CA-O 3.5Å; N460-Q472 PolarHBondContact N-O 3.37Å; N460-Q472 PolarHBondContact O-N 2.99Å; L470-Q472 HydrophobicContact CD2-CG 4.48Å; L470-Q472 HydrophobicContact CG-CG 4.02Å; Q472-S509 WeakPolarHBondContact CA-O 3.49Å |
| 473 | W | 94 | Very high | 88.8 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 160.4 | 178 | 58.4 | 94.9 | 0 | 0 | 0 | 112.1 | V456 V459 V471 S475 Y484 V486 I504 S509 T511 V527 | V456-W473 HydrophobicContact CB-CB 4.43Å; V456-W473 HydrophobicContact CG1-CG 4.44Å; V459-W473 HydrophobicContact CG2-CB 3.84Å; V471-W473 HydrophobicContact CB-CZ3 4.34Å; V471-W473 HydrophobicContact CG1-CE3 4.02Å; V471-W473 HydrophobicContact CG1-CZ3 4.02Å; W473-S475 PolarHBondContact O-N 2.67Å; W473-Y484 AromaticContact CE2-CD2 3.95Å; W473-Y484 AromaticContact CE2-CG 3.98Å; W473-Y484 AromaticContact CZ2-CD2 3.77Å; W473-Y484 HydrophobicContact CZ2-CD2 3.77Å; W473-Y484 HydrophobicContact CZ2-CE2 4.45Å; W473-Y484 AromaticContact CZ2-CG 3.94Å; W473-Y484 HydrophobicContact CZ2-CG 3.94Å; W473-Y484 AromaticContact NE1-CD1 3.64Å; W473-Y484 AromaticContact NE1-CD2 3.54Å; W473-Y484 AromaticContact NE1-CE1 3.64Å; W473-Y484 AromaticContact NE1-CE2 3.51Å; W473-Y484 AromaticContact NE1-CG 3.61Å; W473-Y484 AromaticContact NE1-CZ 3.58Å; W473-V486 HydrophobicContact CH2-CG2 3.91Å; W473-V486 HydrophobicContact CZ3-CG2 3.95Å; W473-I504 HydrophobicContact CH2-CB 4.49Å; W473-I504 HydrophobicContact CH2-CG1 4.33Å; W473-I504 HydrophobicContact CH2-CG2 4.02Å; W473-I504 HydrophobicContact CZ2-CG2 3.99Å; W473-S509 PolarHBondContact N-O 2.74Å; W473-S509 WeakPolarHBondContact O-CB 3.5Å; W473-T511 HydrophobicContact CH2-CG2 4.31Å; W473-T511 HydrophobicContact CZ3-CG2 4.24Å; W473-V527 HydrophobicContact CD2-CG1 3.96Å; W473-V527 HydrophobicContact CE3-CG1 4.2Å; W473-V527 HydrophobicContact CE3-CG2 4.28Å; W473-V527 HydrophobicContact CG-CG1 4.25Å |
| 474 | T | 90.8 | Very high | 88.8 | Confident | 67 Ų | 67 | 52.8 Ų | 52.8 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 124.4 | 171.6 | -68.4 | 0 | 0 | 0 | 0 | 110.3 | S457 D458 | S457-T474 PolarHBondContact O-N 2.86Å; D458-T474 VanDerWaalsContact OD2-CB 3.28Å; D458-T474 WeakPolarHBondContact OD2-CB 3.44Å; D458-T474 PolarHBondContact OD2-OG1 3.4Å |
| 475 | S | 84.3 | Confident | 88.9 | Confident | 29 Ų | 29 | 47.5 Ų | 47.5 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | trans | -76.3 | 133.7 | -176.2 | -162 | 0 | 0 | 0 | 0 | 112 | W473 H477 Y484 | W473-S475 PolarHBondContact O-N 2.67Å; S475-H477 PolarHBondContact O-CD2 3.34Å; S475-H477 PolarHBondContact O-N 2.67Å; S475-Y484 WeakPolarHBondContact CA-OH 3.32Å; S475-Y484 PolarHBondContact OG-OH 2.81Å | ||
| 476 | I | 83.1 | Confident | 89.1 | Confident | 33 Ų | 33 | 43 Ų | 43 | 17% | 0.169 | 23% | 0.23 | C | C | . | . | trans | -81.1 | 105.5 | -177.8 | -55.9 | 177 | 0 | 0 | 0 | 109.4 | A455 V456 S478 V481 Y484 P529 | A455-I476 WeakPolarHBondContact O-CD1 3.43Å; V456-I476 HydrophobicContact CG1-CD1 3.95Å; V456-I476 HydrophobicContact CG1-CG1 4.25Å; I476-S478 PolarHBondContact O-N 2.66Å; I476-V481 HydrophobicContact CB-CG2 4.03Å; I476-V481 HydrophobicContact CG2-CG2 3.83Å; I476-Y484 PolarHBondContact N-OH 2.88Å; I476-P529 HydrophobicContact CD1-CB 3.72Å; I476-P529 HydrophobicContact CD1-CG 4.14Å | ||
| 477 | H | 75.6 | Confident | 89.3 | Confident | 180 Ų | 180 | 39.2 Ų | 39.2 | 83% | 0.833 | 21% | 0.213 | S | C | * | . | trans | -71.1 | 40.1 | -178.5 | -62.5 | -69.8 | 0 | 0 | 0 | 115.2 | S475 | S475-H477 PolarHBondContact O-CD2 3.34Å; S475-H477 PolarHBondContact O-N 2.67Å | ||
| 478 | S | 77.9 | Confident | 89.4 | Confident | 45 Ų | 45 | 33.5 Ų | 33.5 | 32% | 0.315 | 19% | 0.191 | S | C | . | . | trans | -106 | 146.4 | 176.7 | -165.2 | 0 | 0 | 0 | 0 | 112.5 | I476 S480 R506 | I476-S478 PolarHBondContact O-N 2.66Å; S478-S480 PolarHBondContact O-N 3.29Å; S478-S480 PolarHBondContact OG-OG 3.04Å; S478-R506 PolarHBondContact O-NE 3.09Å; S478-R506 PolarHBondContact O-NH2 2.9Å | ||
| 479 | S | 78.3 | Confident | 89.3 | Confident | 92 Ų | 92 | 35.7 Ų | 35.7 | 64% | 0.643 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -0.2 | 173.7 | 63.7 | 0 | 0 | 0 | 0 | 113.4 | K532 | S479-K532 VanDerWaalsContact O-CE 3.28Å; S479-K532 WeakPolarHBondContact O-CE 3.14Å; S479-K532 PolarHBondContact O-NZ 2.81Å |
| 480 | S | 83.1 | Confident | 89.1 | Confident | 42 Ų | 42 | 36 Ų | 36 | 29% | 0.294 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -22.1 | 173.5 | 62.6 | 0 | 0 | 0 | 0 | 113.4 | S478 Y531 K532 | S478-S480 PolarHBondContact O-N 3.29Å; S478-S480 PolarHBondContact OG-OG 3.04Å; S480-Y531 CarbonylContact O-C 3.55Å; S480-Y531 VanDerWaalsContact O-CA 3.3Å; S480-Y531 WeakPolarHBondContact O-CA 3.2Å; S480-Y531 WeakPolarHBondContact OG-CD1 3.42Å; S480-K532 PolarHBondContact O-N 3.38Å |
| 481 | V | 86.9 | Confident | 88.8 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 138.3 | 175 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | I476 Y484 R506 Y531 | I476-V481 HydrophobicContact CB-CG2 4.03Å; I476-V481 HydrophobicContact CG2-CG2 3.83Å; V481-Y484 HydrophobicContact CG1-CE1 4.33Å; V481-R506 HydrophobicContact CG1-CG 4.39Å; V481-R506 VanDerWaalsContact O-CD 3.24Å; V481-R506 WeakPolarHBondContact O-CD 3.49Å; V481-R506 PolarHBondContact O-NE 2.79Å; V481-Y531 HydrophobicContact CG2-CD1 3.75Å; V481-Y531 HydrophobicContact CG2-CE1 3.35Å |
| 482 | T | 88.3 | Confident | 88.1 | Confident | 58 Ų | 58 | 39.7 Ų | 39.7 | 36% | 0.356 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | -19 | -177.9 | 61.6 | 0 | 0 | 0 | 0 | 113 | K530 K532 | T482-K530 PolarHBondContact N-O 2.78Å; T482-K530 WeakPolarHBondContact OG1-CG 3.36Å; T482-K530 PolarHBondContact OG1-O 2.74Å; T482-K532 HydrophobicContact CG2-CB 4.49Å; T482-K532 HydrophobicContact CG2-CG 3.68Å |
| 483 | G | 91.5 | Very high | 87.4 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.7 | -168.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I504 K530 | G483-I504 CarbonylContact C-O 3.54Å; G483-I504 WeakPolarHBondContact CA-O 3.37Å; G483-K530 WeakPolarHBondContact O-CB 3.46Å; G483-K530 PolarHBondContact O-N 2.86Å |
| 484 | Y | 92.2 | Very high | 86.4 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 158.2 | 175.3 | -52.3 | -83.6 | 0 | 0 | 0 | 109.5 | V456 W473 S475 I476 V481 I504 Q508 Y528 P529 | V456-Y484 HydrophobicContact CG1-CD1 3.78Å; V456-Y484 HydrophobicContact CG1-CE1 3.6Å; W473-Y484 AromaticContact CE2-CD2 3.95Å; W473-Y484 AromaticContact CE2-CG 3.98Å; W473-Y484 AromaticContact CZ2-CD2 3.77Å; W473-Y484 HydrophobicContact CZ2-CD2 3.77Å; W473-Y484 HydrophobicContact CZ2-CE2 4.45Å; W473-Y484 AromaticContact CZ2-CG 3.94Å; W473-Y484 HydrophobicContact CZ2-CG 3.94Å; W473-Y484 AromaticContact NE1-CD1 3.64Å; W473-Y484 AromaticContact NE1-CD2 3.54Å; W473-Y484 AromaticContact NE1-CE1 3.64Å; W473-Y484 AromaticContact NE1-CE2 3.51Å; W473-Y484 AromaticContact NE1-CG 3.61Å; W473-Y484 AromaticContact NE1-CZ 3.58Å; S475-Y484 WeakPolarHBondContact CA-OH 3.32Å; S475-Y484 PolarHBondContact OG-OH 2.81Å; I476-Y484 PolarHBondContact N-OH 2.88Å; V481-Y484 HydrophobicContact CG1-CE1 4.33Å; Y484-I504 PolarHBondContact N-O 3.16Å; Y484-I504 PolarHBondContact O-N 3.27Å; Y484-Q508 WeakPolarHBondContact CE2-O 3.29Å; Y484-Y528 CarbonylContact C-O 3.55Å; Y484-Y528 WeakPolarHBondContact CA-O 3.45Å; Y484-P529 HydrophobicContact CD1-CB 4.15Å; Y484-P529 HydrophobicContact CE1-CB 4.24Å |
| 485 | V | 92.5 | Very high | 86 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 123 | 165.2 | -174.2 | 0 | 0 | 0 | 0 | 108 | W363 V487 F501 D502 Y528 | W363-V485 HydrophobicContact CD2-CG1 4.04Å; W363-V485 HydrophobicContact CE3-CB 4.08Å; W363-V485 HydrophobicContact CE3-CG1 3.65Å; W363-V485 HydrophobicContact CE3-CG2 4.04Å; W363-V485 HydrophobicContact CH2-CB 4.06Å; W363-V485 HydrophobicContact CH2-CG1 4.23Å; W363-V485 HydrophobicContact CH2-CG2 4.46Å; W363-V485 HydrophobicContact CZ3-CB 3.65Å; W363-V485 HydrophobicContact CZ3-CG1 3.75Å; W363-V485 HydrophobicContact CZ3-CG2 3.64Å; V485-V487 HydrophobicContact CG1-CG2 4.02Å; V485-F501 HydrophobicContact CG1-CB 4.33Å; V485-D502 WeakPolarHBondContact CA-O 3.25Å; V485-D502 WeakPolarHBondContact CG1-O 3Å; V485-Y528 PolarHBondContact N-O 3.09Å; V485-Y528 PolarHBondContact O-N 3.46Å |
| 486 | V | 94.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.1 | 173 | -176.6 | 0 | 0 | 0 | 0 | 107.1 | V471 W473 W488 F501 D502 I504 T511 I525 V527 | V471-V486 HydrophobicContact CG1-CG1 4.44Å; V471-V486 HydrophobicContact CG2-CG1 4.39Å; W473-V486 HydrophobicContact CH2-CG2 3.91Å; W473-V486 HydrophobicContact CZ3-CG2 3.95Å; V486-W488 HydrophobicContact CG1-CE3 4.32Å; V486-F501 CarbonylContact O-C 3.6Å; V486-F501 WeakPolarHBondContact O-CA 3.49Å; V486-D502 PolarHBondContact N-O 3.02Å; V486-D502 PolarHBondContact O-N 3.22Å; V486-I504 HydrophobicContact CG2-CG1 4.04Å; V486-T511 HydrophobicContact CB-CG2 4.33Å; V486-T511 HydrophobicContact CG1-CG2 4.45Å; V486-T511 HydrophobicContact CG2-CG2 3.87Å; V486-I525 HydrophobicContact CG1-CG2 4.09Å; V486-V527 HydrophobicContact CG2-CG1 4.44Å; V486-V527 HydrophobicContact CG2-CG2 4.26Å |
| 487 | V | 94.1 | Very high | 85.6 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.1 | -177.8 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | W363 V485 I499 L500 F501 I525 S526 Y528 | W363-V487 HydrophobicContact CD2-CG2 4.26Å; W363-V487 HydrophobicContact CZ2-CG2 3.75Å; V485-V487 HydrophobicContact CG1-CG2 4.02Å; V487-I499 HydrophobicContact CG1-CG2 3.87Å; V487-L500 CarbonylContact C-O 3.56Å; V487-L500 WeakPolarHBondContact CA-O 3.2Å; V487-L500 WeakPolarHBondContact CG1-O 3.32Å; V487-F501 HydrophobicContact CG2-CB 4.11Å; V487-I525 CarbonylContact O-C 3.55Å; V487-I525 WeakPolarHBondContact O-CA 3.34Å; V487-S526 PolarHBondContact N-O 2.9Å; V487-S526 PolarHBondContact O-N 3.48Å; V487-Y528 HydrophobicContact CB-CD2 4.46Å; V487-Y528 HydrophobicContact CB-CE2 4.04Å; V487-Y528 HydrophobicContact CG2-CD2 3.76Å; V487-Y528 HydrophobicContact CG2-CE2 3.65Å |
| 488 | W | 93.8 | Very high | 86 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 147.9 | 176.9 | 62.7 | 106.9 | 0 | 0 | 0 | 111.8 | V486 L500 D502 I513 E515 E524 I525 | V486-W488 HydrophobicContact CG1-CE3 4.32Å; W488-L500 HydrophobicContact CD2-CB 3.9Å; W488-L500 VanDerWaalsContact CE2-CB 3.44Å; W488-L500 HydrophobicContact CG-CB 4.31Å; W488-L500 HydrophobicContact CH2-CB 4.32Å; W488-L500 HydrophobicContact CZ2-CB 3.68Å; W488-L500 HydrophobicContact CZ2-CD1 4.29Å; W488-L500 PolarHBondContact N-O 3.15Å; W488-L500 PolarHBondContact O-N 2.95Å; W488-D502 HydrophobicContact CH2-CB 4.32Å; W488-D502 HydrophobicContact CZ3-CB 4.35Å; W488-I513 HydrophobicContact CB-CD1 4.06Å; W488-I513 HydrophobicContact CD2-CB 4.44Å; W488-I513 HydrophobicContact CD2-CD1 3.93Å; W488-I513 HydrophobicContact CD2-CG2 4.28Å; W488-I513 HydrophobicContact CE3-CD1 4.38Å; W488-I513 HydrophobicContact CE3-CG2 3.98Å; W488-I513 HydrophobicContact CG-CD1 3.79Å; W488-I513 HydrophobicContact CH2-CB 4.48Å; W488-I513 HydrophobicContact CH2-CG2 3.97Å; W488-I513 HydrophobicContact CZ2-CB 4.26Å; W488-I513 HydrophobicContact CZ2-CG2 4.24Å; W488-I513 HydrophobicContact CZ3-CG2 3.82Å; W488-E515 HydrophobicContact CZ2-CB 4.14Å; W488-E515 PolarHBondContact NE1-O 3.32Å; W488-E524 VanDerWaalsContact CA-O 3.28Å; W488-E524 WeakPolarHBondContact CA-O 3.32Å; W488-I525 HydrophobicContact CB-CG1 3.91Å |
| 489 | R | 91.9 | Very high | 86.6 | Confident | 49 Ų | 49 | 44 Ų | 44 | 19% | 0.185 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 152.3 | 176.6 | 67.2 | -180 | -173.7 | 91.2 | 1.5 | 111.1 | I499 Y523 E524 | R489-I499 HydrophobicContact CB-CG1 4.17Å; R489-Y523 WeakPolarHBondContact O-CA 3.45Å; R489-E524 HydrophobicContact CG-CB 4.1Å; R489-E524 IonicContact CZ-OE1 3.06Å; R489-E524 IonicContact CZ-OE2 2.72Å; R489-E524 PolarHBondContact N-O 2.83Å; R489-E524 IonicContact NE-OE1 2.68Å; R489-E524 IonicContact NE-OE2 3.7Å; R489-E524 PolarHBondContact NE-OE2 3.29Å; R489-E524 IonicContact NH2-OE1 2.65Å; R489-E524 PolarHBondContact NH2-OE1 3.35Å; R489-E524 IonicContact NH2-OE2 2.65Å; R489-E524 PolarHBondContact NH2-OE2 2.61Å; R489-E524 PolarHBondContact O-N 2.94Å |
| 490 | P | 91.9 | Very high | 87.2 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 140.2 | 166.8 | 29.2 | -35.7 | 0 | 0 | 0 | 110.8 | W492 L498 | P490-W492 HydrophobicContact CB-CD2 3.7Å; P490-W492 HydrophobicContact CB-CE3 3.41Å; P490-W492 VanDerWaalsContact CB-CE3 3.41Å; P490-W492 HydrophobicContact CB-CH2 3.44Å; P490-W492 VanDerWaalsContact CB-CH2 3.44Å; P490-W492 HydrophobicContact CB-CZ2 3.7Å; P490-W492 HydrophobicContact CB-CZ3 3.25Å; P490-L498 WeakPolarHBondContact CD-O 3.32Å; P490-L498 HydrophobicContact CG-CB 3.71Å; P490-L498 HydrophobicContact CG-CD1 3.73Å; P490-L498 HydrophobicContact CG-CG 4.38Å |
| 491 | L | 89.3 | Confident | 87.7 | Confident | 31 Ų | 31 | 39.6 Ų | 39.6 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -86.1 | -25.1 | 174 | -80.4 | 170.9 | 0 | 0 | 0 | 113.1 | K493 P522 E524 E542 L575 | L491-K493 VanDerWaalsContact C-N 3.28Å; L491-K493 PolarHBondContact O-N 2.89Å; L491-P522 HydrophobicContact CB-CB 4.06Å; L491-P522 HydrophobicContact CB-CG 4.13Å; L491-P522 WeakPolarHBondContact CB-O 3.3Å; L491-P522 HydrophobicContact CD1-CB 4.16Å; L491-P522 PolarHBondContact N-O 2.93Å; L491-E524 HydrophobicContact CD1-CB 4.11Å; L491-E524 HydrophobicContact CD2-CB 3.76Å; L491-E524 HydrophobicContact CG-CB 3.79Å; L491-E542 HydrophobicContact CD1-CB 4.46Å; L491-E542 HydrophobicContact CD1-CG 3.95Å; L491-L575 HydrophobicContact CB-CD1 4.17Å |
| 492 | W | 80.3 | Confident | 88 | Confident | 88 Ų | 88 | 41.6 Ų | 41.6 | 33% | 0.333 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -77.6 | -8.6 | -177.8 | 69.9 | 96.9 | 0 | 0 | 0 | 114.4 | P490 N521 P522 Y523 | P490-W492 HydrophobicContact CB-CD2 3.7Å; P490-W492 HydrophobicContact CB-CE3 3.41Å; P490-W492 VanDerWaalsContact CB-CE3 3.41Å; P490-W492 HydrophobicContact CB-CH2 3.44Å; P490-W492 VanDerWaalsContact CB-CH2 3.44Å; P490-W492 HydrophobicContact CB-CZ2 3.7Å; P490-W492 HydrophobicContact CB-CZ3 3.25Å; W492-N521 HydrophobicContact CD2-CB 4.15Å; W492-N521 HydrophobicContact CE3-CB 3.65Å; W492-N521 HydrophobicContact CH2-CB 3.32Å; W492-N521 HydrophobicContact CZ2-CB 3.87Å; W492-N521 HydrophobicContact CZ3-CB 3.23Å; W492-P522 HydrophobicContact CE3-CG 4.15Å; W492-P522 WeakPolarHBondContact CZ3-O 3.46Å; W492-Y523 HydrophobicContact CH2-CE1 4.12Å; W492-Y523 AromaticContact CH2-CE2 3.85Å; W492-Y523 HydrophobicContact CH2-CE2 3.85Å; W492-Y523 AromaticContact CH2-CZ 3.56Å; W492-Y523 WeakPolarHBondContact CH2-OH 3.46Å; W492-Y523 HydrophobicContact CZ3-CD2 4.22Å; W492-Y523 HydrophobicContact CZ3-CE1 4.31Å; W492-Y523 AromaticContact CZ3-CE2 3.87Å; W492-Y523 HydrophobicContact CZ3-CE2 3.87Å; W492-Y523 AromaticContact CZ3-CZ 3.93Å |
| 493 | K | 80.3 | Confident | 88.1 | Confident | 104 Ų | 104 | 42.5 Ų | 42.5 | 45% | 0.452 | 22% | 0.215 | S | C | . | . | trans | -141.2 | 115.1 | 176.4 | -162 | -165 | -175.2 | -162.9 | 0 | 111 | L491 D495 L498 | L491-K493 VanDerWaalsContact C-N 3.28Å; L491-K493 PolarHBondContact O-N 2.89Å; K493-D495 HydrophobicContact CD-CB 3.72Å; K493-D495 WeakPolarHBondContact CE-OD2 3.4Å; K493-D495 HydrophobicContact CG-CB 3.98Å; K493-D495 IonicContact NZ-OD2 2.68Å; K493-D495 PolarHBondContact NZ-OD2 3.17Å; K493-D495 PolarHBondContact O-N 3.12Å; K493-L498 HydrophobicContact CB-CD1 4.49Å; K493-L498 HydrophobicContact CD-CD1 3.77Å | ||
| 494 | M | 74.6 | Confident | 88.2 | Confident | 158 Ų | 158 | 43.1 Ų | 43.1 | 78% | 0.778 | 22% | 0.217 | S | C | * | . | trans | -77.1 | 60.9 | 175 | -69.5 | -70.2 | -166.6 | 0 | 0 | 111.8 | ||||
| 495 | D | 81.8 | Confident | 88.1 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 23% | 0.225 | 25% | 0.247 | C | C | . | . | trans | -111 | 115 | -178.7 | -173 | -25.8 | 0 | 0 | 0 | 110.8 | K493 S497 L498 | K493-D495 HydrophobicContact CD-CB 3.72Å; K493-D495 WeakPolarHBondContact CE-OD2 3.4Å; K493-D495 HydrophobicContact CG-CB 3.98Å; K493-D495 IonicContact NZ-OD2 2.68Å; K493-D495 PolarHBondContact NZ-OD2 3.17Å; K493-D495 PolarHBondContact O-N 3.12Å; D495-S497 PolarHBondContact O-N 2.99Å; D495-S497 VanDerWaalsContact O-N 3.16Å; D495-S497 VanDerWaalsContact OD1-CB 3.32Å; D495-S497 WeakPolarHBondContact OD1-CB 3.47Å; D495-S497 PolarHBondContact OD1-N 2.77Å; D495-S497 PolarHBondContact OD1-OG 2.98Å; D495-S497 PolarHBondContact OD2-OG 2.81Å; D495-L498 HydrophobicContact CB-CD1 4.07Å; D495-L498 HydrophobicContact CB-CG 4.07Å; D495-L498 PolarHBondContact O-N 2.91Å; D495-L498 VanDerWaalsContact O-N 3.09Å | ||
| 496 | P | 78.5 | Confident | 87.8 | Confident | 52 Ų | 52 | 53.2 Ų | 53.2 | 34% | 0.338 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -58.3 | -26 | 179.2 | -25.3 | 35 | 0 | 0 | 0 | 114.4 | F380 L498 I499 | F380-P496 HydrophobicContact CE1-CB 4.2Å; F380-P496 WeakPolarHBondContact CE1-O 3.39Å; P496-L498 PolarHBondContact O-N 2.82Å; P496-I499 PolarHBondContact O-N 3.42Å |
| 497 | S | 79.3 | Confident | 87.4 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 48% | 0.476 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -70 | -15.5 | 179.1 | 69.8 | 0 | 0 | 0 | 0 | 113.6 | D495 | D495-S497 PolarHBondContact O-N 2.99Å; D495-S497 VanDerWaalsContact O-N 3.16Å; D495-S497 VanDerWaalsContact OD1-CB 3.32Å; D495-S497 WeakPolarHBondContact OD1-CB 3.47Å; D495-S497 PolarHBondContact OD1-N 2.77Å; D495-S497 PolarHBondContact OD1-OG 2.98Å; D495-S497 PolarHBondContact OD2-OG 2.81Å |
| 498 | L | 85.8 | Confident | 87.1 | Confident | 65 Ų | 65 | 64.1 Ų | 64.1 | 34% | 0.34 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -97.1 | 8.2 | 179.1 | -54.9 | -177 | 0 | 0 | 0 | 113.3 | P490 K493 D495 P496 L500 | P490-L498 WeakPolarHBondContact CD-O 3.32Å; P490-L498 HydrophobicContact CG-CB 3.71Å; P490-L498 HydrophobicContact CG-CD1 3.73Å; P490-L498 HydrophobicContact CG-CG 4.38Å; K493-L498 HydrophobicContact CB-CD1 4.49Å; K493-L498 HydrophobicContact CD-CD1 3.77Å; D495-L498 HydrophobicContact CB-CD1 4.07Å; D495-L498 HydrophobicContact CB-CG 4.07Å; D495-L498 PolarHBondContact O-N 2.91Å; D495-L498 VanDerWaalsContact O-N 3.09Å; P496-L498 PolarHBondContact O-N 2.82Å; L498-L500 PolarHBondContact O-N 2.8Å |
| 499 | I | 89.3 | Confident | 86.9 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 20% | 0.2 | 34% | 0.335 | C | S | . | . | trans | -80.7 | 111.5 | 172.6 | -62.5 | 173.9 | 0 | 0 | 0 | 108.8 | F380 V487 R489 P496 | F380-I499 HydrophobicContact CD1-CB 4.35Å; F380-I499 HydrophobicContact CE1-CB 4.15Å; F380-I499 HydrophobicContact CE1-CD1 3.91Å; F380-I499 HydrophobicContact CZ-CD1 3.72Å; V487-I499 HydrophobicContact CG1-CG2 3.87Å; R489-I499 HydrophobicContact CB-CG1 4.17Å; P496-I499 PolarHBondContact O-N 3.42Å | ||
| 500 | L | 91.6 | Very high | 86.9 | Confident | 35 Ų | 35 | 66.4 Ų | 66.4 | 18% | 0.183 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 155.1 | 176.2 | -66.7 | 175.6 | 0 | 0 | 0 | 110.8 | V487 W488 L498 E515 | V487-L500 CarbonylContact C-O 3.56Å; V487-L500 WeakPolarHBondContact CA-O 3.2Å; V487-L500 WeakPolarHBondContact CG1-O 3.32Å; W488-L500 HydrophobicContact CD2-CB 3.9Å; W488-L500 VanDerWaalsContact CE2-CB 3.44Å; W488-L500 HydrophobicContact CG-CB 4.31Å; W488-L500 HydrophobicContact CH2-CB 4.32Å; W488-L500 HydrophobicContact CZ2-CB 3.68Å; W488-L500 HydrophobicContact CZ2-CD1 4.29Å; W488-L500 PolarHBondContact N-O 3.15Å; W488-L500 PolarHBondContact O-N 2.95Å; L498-L500 PolarHBondContact O-N 2.8Å; L500-E515 HydrophobicContact CD1-CB 4.02Å; L500-E515 WeakPolarHBondContact CD1-O 3.44Å |
| 501 | F | 93.6 | Very high | 87 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 2% | 0.022 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 156.2 | -178.1 | 66.5 | -87.5 | 0 | 0 | 0 | 111.7 | N361 W363 F380 K382 V485 V486 V487 H503 | N361-F501 HydrophobicContact CB-CE2 4.35Å; W363-F501 HydrophobicContact CB-CB 4.27Å; W363-F501 HydrophobicContact CB-CD1 3.6Å; W363-F501 HydrophobicContact CB-CD2 3.6Å; W363-F501 HydrophobicContact CB-CE1 3.76Å; W363-F501 HydrophobicContact CB-CE2 3.76Å; W363-F501 HydrophobicContact CB-CG 3.53Å; W363-F501 HydrophobicContact CB-CZ 3.84Å; W363-F501 HydrophobicContact CG-CB 4.3Å; W363-F501 HydrophobicContact CG-CD1 4.3Å; W363-F501 HydrophobicContact CG-CD2 4.42Å; W363-F501 HydrophobicContact CG-CG 4.08Å; F380-F501 HydrophobicContact CB-CD1 4.43Å; F380-F501 HydrophobicContact CB-CE1 3.94Å; K382-F501 VanDerWaalsContact CE-O 3.25Å; K382-F501 WeakPolarHBondContact CE-O 3.42Å; K382-F501 HydrophobicContact CG-CZ 4.36Å; K382-F501 PolarHBondContact NZ-O 3.17Å; V485-F501 HydrophobicContact CG1-CB 4.33Å; V486-F501 CarbonylContact O-C 3.6Å; V486-F501 WeakPolarHBondContact O-CA 3.49Å; V487-F501 HydrophobicContact CG2-CB 4.11Å; F501-H503 AromaticContact CD2-CD2 3.92Å; F501-H503 AromaticContact CD2-NE2 3.92Å; F501-H503 AromaticContact CE2-NE2 3.84Å |
| 502 | D | 93.2 | Very high | 87.3 | Confident | 46 Ų | 46 | 69.9 Ų | 69.9 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 149.5 | 164.2 | -93.1 | -50.6 | 0 | 0 | 0 | 112.8 | K382 V485 V486 W488 | K382-D502 WeakPolarHBondContact CE-OD1 3.38Å; K382-D502 IonicContact NZ-OD1 3.69Å; K382-D502 PolarHBondContact NZ-OD1 2.92Å; K382-D502 VanDerWaalsContact NZ-OD1 3.17Å; K382-D502 IonicContact NZ-OD2 2.79Å; K382-D502 PolarHBondContact NZ-OD2 3.32Å; V485-D502 WeakPolarHBondContact CA-O 3.25Å; V485-D502 WeakPolarHBondContact CG1-O 3Å; V486-D502 PolarHBondContact N-O 3.02Å; V486-D502 PolarHBondContact O-N 3.22Å; W488-D502 HydrophobicContact CH2-CB 4.32Å; W488-D502 HydrophobicContact CZ3-CB 4.35Å |
| 503 | H | 90.9 | Very high | 87.9 | Confident | 78 Ų | 78 | 65.9 Ų | 65.9 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 127 | 178.2 | -67.1 | -117.4 | 0 | 0 | 0 | 108.8 | S362 F501 | S362-H503 PolarHBondContact O-CE1 2.79Å; S362-H503 PolarHBondContact O-NE2 3.35Å; F501-H503 AromaticContact CD2-CD2 3.92Å; F501-H503 AromaticContact CD2-NE2 3.92Å; F501-H503 AromaticContact CE2-NE2 3.84Å |
| 504 | I | 92.3 | Very high | 88.4 | Confident | 16 Ų | 16 | 64.6 Ų | 64.6 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.1 | -174.1 | -54.7 | -58.4 | 0 | 0 | 0 | 109.3 | W473 G483 Y484 V486 Q508 T511 | W473-I504 HydrophobicContact CH2-CB 4.49Å; W473-I504 HydrophobicContact CH2-CG1 4.33Å; W473-I504 HydrophobicContact CH2-CG2 4.02Å; W473-I504 HydrophobicContact CZ2-CG2 3.99Å; G483-I504 CarbonylContact C-O 3.54Å; G483-I504 WeakPolarHBondContact CA-O 3.37Å; Y484-I504 PolarHBondContact N-O 3.16Å; Y484-I504 PolarHBondContact O-N 3.27Å; V486-I504 HydrophobicContact CG2-CG1 4.04Å; I504-Q508 HydrophobicContact CG2-CB 3.65Å; I504-T511 HydrophobicContact CD1-CG2 4.06Å; I504-T511 HydrophobicContact CG1-CG2 4.32Å |
| 505 | D | 90.6 | Very high | 89 | Confident | 120 Ų | 120 | 61.2 Ų | 61.2 | 64% | 0.642 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 149 | -178.6 | -81.7 | -45.7 | 0 | 0 | 0 | 112.1 | N507 Q508 | D505-N507 PolarHBondContact O-N 3.23Å; D505-Q508 PolarHBondContact O-N 3Å |
| 506 | R | 86.7 | Confident | 89.3 | Confident | 96 Ų | 96 | 63.3 Ų | 63.3 | 36% | 0.362 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -30.8 | -179.5 | -178 | -175 | -179.2 | -102.3 | -3.2 | 114.2 | S478 V481 Q508 | S478-R506 PolarHBondContact O-NE 3.09Å; S478-R506 PolarHBondContact O-NH2 2.9Å; V481-R506 HydrophobicContact CG1-CG 4.39Å; V481-R506 VanDerWaalsContact O-CD 3.24Å; V481-R506 WeakPolarHBondContact O-CD 3.49Å; V481-R506 PolarHBondContact O-NE 2.79Å; R506-Q508 VanDerWaalsContact C-N 3.3Å |
| 507 | N | 86.5 | Confident | 89.9 | Confident | 145 Ų | 145 | 61 Ų | 61 | 78% | 0.775 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -6.7 | -175.9 | -62.7 | -2.6 | 0 | 0 | 0 | 113 | D505 | D505-N507 PolarHBondContact O-N 3.23Š|
| 508 | Q | 87.9 | Confident | 90.5 | Very high | 98 Ų | 98 | 61.4 Ų | 61.4 | 46% | 0.458 | 33% | 0.33 | S | S | . | . | trans | -104.3 | 138.8 | 177.2 | -67.3 | 175.4 | -48 | 0 | 0 | 110.2 | Y484 I504 D505 R506 | Y484-Q508 WeakPolarHBondContact CE2-O 3.29Å; I504-Q508 HydrophobicContact CG2-CB 3.65Å; D505-Q508 PolarHBondContact O-N 3Å; R506-Q508 VanDerWaalsContact C-N 3.3Å | ||
| 509 | S | 89.3 | Confident | 90.7 | Very high | 52 Ų | 52 | 59.2 Ų | 59.2 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -122.2 | 15.7 | 178.7 | 69.1 | 0 | 0 | 0 | 0 | 112.3 | Q472 W473 | Q472-S509 WeakPolarHBondContact CA-O 3.49Å; W473-S509 PolarHBondContact N-O 2.74Å; W473-S509 WeakPolarHBondContact O-CB 3.5Å |
| 510 | S | 92.1 | Very high | 90.7 | Very high | 49 Ų | 49 | 61.7 Ų | 61.7 | 34% | 0.343 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 155.5 | 176.6 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | V471 | V471-S510 CarbonylContact O-C 3.58Å; V471-S510 WeakPolarHBondContact O-CA 3.18Å; V471-S510 VanDerWaalsContact O-CB 3.31Å; V471-S510 WeakPolarHBondContact O-CB 3.48Å |
| 511 | T | 94 | Very high | 90.7 | Very high | 31 Ų | 31 | 62.4 Ų | 62.4 | 19% | 0.19 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 151.1 | 170.9 | -168 | 0 | 0 | 0 | 0 | 111 | V471 W473 V486 I504 I513 | V471-T511 HydrophobicContact CB-CG2 4.33Å; V471-T511 PolarHBondContact N-O 2.98Å; V471-T511 PolarHBondContact O-N 3.5Å; W473-T511 HydrophobicContact CH2-CG2 4.31Å; W473-T511 HydrophobicContact CZ3-CG2 4.24Å; V486-T511 HydrophobicContact CB-CG2 4.33Å; V486-T511 HydrophobicContact CG1-CG2 4.45Å; V486-T511 HydrophobicContact CG2-CG2 3.87Å; I504-T511 HydrophobicContact CD1-CG2 4.06Å; I504-T511 HydrophobicContact CG1-CG2 4.32Å; T511-I513 HydrophobicContact CG2-CG2 4.25Å |
| 512 | L | 94.1 | Very high | 90.6 | Very high | 80 Ų | 80 | 62.3 Ų | 62.3 | 42% | 0.419 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 123.8 | 172.4 | -174.9 | 72.3 | 0 | 0 | 0 | 108.8 | H464 L470 | H464-L512 HydrophobicContact CB-CD1 3.77Å; L470-L512 HydrophobicContact CB-CD1 4.3Å |
| 513 | I | 93.9 | Very high | 90.6 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.2 | 172.1 | 65.4 | 175.1 | 0 | 0 | 0 | 110.3 | S468 L469 V471 W488 T511 I517 I525 | S468-I513 CarbonylContact C-O 3.53Å; S468-I513 VanDerWaalsContact CA-O 3.28Å; S468-I513 WeakPolarHBondContact CA-O 3.45Å; L469-I513 HydrophobicContact CB-CD1 4.26Å; L469-I513 HydrophobicContact CB-CG1 3.8Å; L469-I513 PolarHBondContact N-O 3.37Å; L469-I513 WeakPolarHBondContact O-CG1 3.29Å; L469-I513 PolarHBondContact O-N 3.29Å; V471-I513 HydrophobicContact CG2-CD1 4.21Å; V471-I513 HydrophobicContact CG2-CG1 4.35Å; W488-I513 HydrophobicContact CB-CD1 4.06Å; W488-I513 HydrophobicContact CD2-CB 4.44Å; W488-I513 HydrophobicContact CD2-CD1 3.93Å; W488-I513 HydrophobicContact CD2-CG2 4.28Å; W488-I513 HydrophobicContact CE3-CD1 4.38Å; W488-I513 HydrophobicContact CE3-CG2 3.98Å; W488-I513 HydrophobicContact CG-CD1 3.79Å; W488-I513 HydrophobicContact CH2-CB 4.48Å; W488-I513 HydrophobicContact CH2-CG2 3.97Å; W488-I513 HydrophobicContact CZ2-CB 4.26Å; W488-I513 HydrophobicContact CZ2-CG2 4.24Å; W488-I513 HydrophobicContact CZ3-CG2 3.82Å; T511-I513 HydrophobicContact CG2-CG2 4.25Å; I513-I517 HydrophobicContact CD1-CD1 4.17Å; I513-I517 HydrophobicContact CG1-CD1 4.41Å; I513-I517 HydrophobicContact CG1-CG1 4.49Å; I513-I525 HydrophobicContact CD1-CD1 3.77Å; I513-I525 HydrophobicContact CD1-CG1 4.18Å |
| 514 | S | 90.3 | Very high | 90.7 | Very high | 76 Ų | 76 | 59.2 Ų | 59.2 | 53% | 0.531 | 32% | 0.315 | S | S | . | . | trans | -143.5 | -5.3 | 178.3 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | S516 | S514-S516 PolarHBondContact O-N 2.83Š| ||
| 515 | E | 87.7 | Confident | 90.8 | Very high | 87 Ų | 87 | 58.5 Ų | 58.5 | 41% | 0.407 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 119.2 | 173.3 | -52.7 | -176.5 | 159.9 | 0 | 0 | 109.6 | K382 W488 L500 I517 | K382-E515 IonicContact NZ-OE1 3.82Å; K382-E515 PolarHBondContact NZ-OE1 2.81Å; K382-E515 IonicContact NZ-OE2 2.87Å; K382-E515 PolarHBondContact NZ-OE2 3.41Å; W488-E515 HydrophobicContact CZ2-CB 4.14Å; W488-E515 PolarHBondContact NE1-O 3.32Å; L500-E515 HydrophobicContact CD1-CB 4.02Å; L500-E515 WeakPolarHBondContact CD1-O 3.44Å; E515-I517 VanDerWaalsContact C-N 3.32Å; E515-I517 PolarHBondContact O-N 3.27Å |
| 516 | S | 87.8 | Confident | 91 | Very high | 87 Ų | 87 | 53 Ų | 53 | 61% | 0.608 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 35.2 | 178.3 | -53.6 | 0 | 0 | 0 | 0 | 115.6 | S514 Y523 | S514-S516 PolarHBondContact O-N 2.83Å; S516-Y523 WeakPolarHBondContact O-CE1 3.4Å; S516-Y523 PolarHBondContact O-OH 3.1Å |
| 517 | I | 91.4 | Very high | 91.3 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | trans | -92.3 | 120.9 | 170.4 | -54.8 | -57.1 | 0 | 0 | 0 | 110.3 | L469 I513 E515 Y523 | L469-I517 HydrophobicContact CD1-CD1 4.44Å; L469-I517 HydrophobicContact CD1-CG2 4.44Å; L469-I517 HydrophobicContact CG-CG2 4.4Å; I513-I517 HydrophobicContact CD1-CD1 4.17Å; I513-I517 HydrophobicContact CG1-CD1 4.41Å; I513-I517 HydrophobicContact CG1-CG1 4.49Å; E515-I517 VanDerWaalsContact C-N 3.32Å; E515-I517 PolarHBondContact O-N 3.27Å; I517-Y523 VanDerWaalsContact CA-OH 3.32Å; I517-Y523 WeakPolarHBondContact CA-OH 3.17Å; I517-Y523 HydrophobicContact CD1-CD1 3.89Å; I517-Y523 HydrophobicContact CD1-CE1 3.71Å; I517-Y523 HydrophobicContact CD1-CE2 4.42Å; I517-Y523 HydrophobicContact CD1-CG 4.3Å; I517-Y523 HydrophobicContact CG2-CE2 4.4Å | ||
| 518 | E | 90.9 | Very high | 91.5 | Very high | 77 Ų | 77 | 42.9 Ų | 42.9 | 36% | 0.36 | 23% | 0.233 | S | C | . | . | trans | -119 | 136.1 | 178.9 | -69.2 | -65.9 | 152.7 | 0 | 0 | 110.3 | R467 N521 Y523 | R467-E518 IonicContact CZ-OE1 2.68Å; R467-E518 IonicContact CZ-OE2 3.14Å; R467-E518 IonicContact NH1-OE1 2.7Å; R467-E518 PolarHBondContact NH1-OE1 3.47Å; R467-E518 IonicContact NH1-OE2 3.36Å; R467-E518 PolarHBondContact NH1-OE2 3.42Å; R467-E518 IonicContact NH2-OE1 2.77Å; R467-E518 IonicContact NH2-OE2 3.49Å; R467-E518 PolarHBondContact NH2-OE2 2.88Å; E518-N521 WeakPolarHBondContact CB-ND2 3.43Å; E518-Y523 PolarHBondContact N-OH 3.22Å | ||
| 519 | P | 90.8 | Very high | 91.7 | Very high | 19 Ų | 19 | 38.2 Ų | 38.2 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 155.1 | -177.6 | 28.1 | -36.3 | 0 | 0 | 0 | 112.9 | N521 R546 | P519-N521 PolarHBondContact O-N 3.09Å; P519-N521 VanDerWaalsContact O-N 3.15Å; P519-N521 PolarHBondContact O-ND2 2.84Å; P519-R546 HydrophobicContact CB-CB 3.82Å; P519-R546 HydrophobicContact CB-CG 4.42Å |
| 520 | Y | 90.1 | Very high | 91.6 | Very high | 90 Ų | 90 | 38.3 Ų | 38.3 | 35% | 0.353 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | -5.8 | 178 | -40.2 | -64.9 | 0 | 0 | 0 | 116.9 | R546 K548 N579 | Y520-R546 VanDerWaalsContact CA-O 3.25Å; Y520-R546 WeakPolarHBondContact CA-O 3.35Å; Y520-R546 HydrophobicContact CD1-CB 4.2Å; Y520-R546 HydrophobicContact CE1-CB 3.82Å; Y520-R546 PolarHBondContact N-O 3.42Å; Y520-K548 HydrophobicContact CD1-CB 3.66Å; Y520-K548 HydrophobicContact CE1-CB 3.85Å; Y520-N579 WeakPolarHBondContact O-CA 3.28Å |
| 521 | N | 90.3 | Very high | 91.4 | Very high | 51 Ų | 51 | 36.8 Ų | 36.8 | 27% | 0.273 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -101.8 | 144 | -178.1 | -52.2 | -77.3 | 0 | 0 | 0 | 112.8 | W492 E518 P519 Y523 | W492-N521 HydrophobicContact CD2-CB 4.15Å; W492-N521 HydrophobicContact CE3-CB 3.65Å; W492-N521 HydrophobicContact CH2-CB 3.32Å; W492-N521 HydrophobicContact CZ2-CB 3.87Å; W492-N521 HydrophobicContact CZ3-CB 3.23Å; E518-N521 WeakPolarHBondContact CB-ND2 3.43Å; P519-N521 PolarHBondContact O-N 3.09Å; P519-N521 VanDerWaalsContact O-N 3.15Å; P519-N521 PolarHBondContact O-ND2 2.84Å; N521-Y523 HydrophobicContact CB-CE2 4.4Å; N521-Y523 VanDerWaalsContact O-CD2 3.29Å; N521-Y523 WeakPolarHBondContact O-CD2 3.36Å |
| 522 | P | 91.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.013 | 21% | 0.211 | C | C | . | . | trans | -78.2 | 126.1 | -178.7 | 23.9 | -29.1 | 0 | 0 | 0 | 114.1 | L491 W492 E542 Y544 L575 | L491-P522 HydrophobicContact CB-CB 4.06Å; L491-P522 HydrophobicContact CB-CG 4.13Å; L491-P522 WeakPolarHBondContact CB-O 3.3Å; L491-P522 HydrophobicContact CD1-CB 4.16Å; L491-P522 PolarHBondContact N-O 2.93Å; W492-P522 HydrophobicContact CE3-CG 4.15Å; W492-P522 WeakPolarHBondContact CZ3-O 3.46Å; P522-E542 HydrophobicContact CB-CG 4.44Å; P522-Y544 HydrophobicContact CB-CE1 3.91Å; P522-Y544 HydrophobicContact CB-CE2 4.14Å; P522-Y544 WeakPolarHBondContact CB-OH 3.25Å; P522-Y544 HydrophobicContact CG-CE1 4.35Å; P522-L575 HydrophobicContact CB-CD2 4.43Å; P522-L575 HydrophobicContact CG-CB 4.18Å; P522-L575 HydrophobicContact CG-CD2 4.16Å | ||
| 523 | Y | 92.3 | Very high | 90 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.6 | 172.2 | -70.2 | -96.5 | 0 | 0 | 0 | 111.5 | R489 W492 S516 I517 E518 N521 E542 A543 | R489-Y523 WeakPolarHBondContact O-CA 3.45Å; W492-Y523 HydrophobicContact CH2-CE1 4.12Å; W492-Y523 AromaticContact CH2-CE2 3.85Å; W492-Y523 HydrophobicContact CH2-CE2 3.85Å; W492-Y523 AromaticContact CH2-CZ 3.56Å; W492-Y523 WeakPolarHBondContact CH2-OH 3.46Å; W492-Y523 HydrophobicContact CZ3-CD2 4.22Å; W492-Y523 HydrophobicContact CZ3-CE1 4.31Å; W492-Y523 AromaticContact CZ3-CE2 3.87Å; W492-Y523 HydrophobicContact CZ3-CE2 3.87Å; W492-Y523 AromaticContact CZ3-CZ 3.93Å; S516-Y523 WeakPolarHBondContact O-CE1 3.4Å; S516-Y523 PolarHBondContact O-OH 3.1Å; I517-Y523 VanDerWaalsContact CA-OH 3.32Å; I517-Y523 WeakPolarHBondContact CA-OH 3.17Å; I517-Y523 HydrophobicContact CD1-CD1 3.89Å; I517-Y523 HydrophobicContact CD1-CE1 3.71Å; I517-Y523 HydrophobicContact CD1-CE2 4.42Å; I517-Y523 HydrophobicContact CD1-CG 4.3Å; I517-Y523 HydrophobicContact CG2-CE2 4.4Å; E518-Y523 PolarHBondContact N-OH 3.22Å; N521-Y523 HydrophobicContact CB-CE2 4.4Å; N521-Y523 VanDerWaalsContact O-CD2 3.29Å; N521-Y523 WeakPolarHBondContact O-CD2 3.36Å; Y523-E542 CarbonylContact O-C 3.46Å; Y523-E542 WeakPolarHBondContact O-CA 3.42Å; Y523-A543 PolarHBondContact N-O 3.2Å; Y523-A543 PolarHBondContact O-N 2.7Å |
| 524 | E | 93.6 | Very high | 89.3 | Confident | 54 Ų | 54 | 42.9 Ų | 42.9 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123.6 | 164.1 | -178.5 | -172.2 | -84.3 | 0 | 0 | 108.3 | W488 R489 L491 T540 | W488-E524 VanDerWaalsContact CA-O 3.28Å; W488-E524 WeakPolarHBondContact CA-O 3.32Å; R489-E524 HydrophobicContact CG-CB 4.1Å; R489-E524 IonicContact CZ-OE1 3.06Å; R489-E524 IonicContact CZ-OE2 2.72Å; R489-E524 PolarHBondContact N-O 2.83Å; R489-E524 IonicContact NE-OE1 2.68Å; R489-E524 IonicContact NE-OE2 3.7Å; R489-E524 PolarHBondContact NE-OE2 3.29Å; R489-E524 IonicContact NH2-OE1 2.65Å; R489-E524 PolarHBondContact NH2-OE1 3.35Å; R489-E524 IonicContact NH2-OE2 2.65Å; R489-E524 PolarHBondContact NH2-OE2 2.61Å; R489-E524 PolarHBondContact O-N 2.94Å; L491-E524 HydrophobicContact CD1-CB 4.11Å; L491-E524 HydrophobicContact CD2-CB 3.76Å; L491-E524 HydrophobicContact CG-CB 3.79Å; E524-T540 HydrophobicContact CG-CG2 3.41Å; E524-T540 VanDerWaalsContact CG-CG2 3.41Å |
| 525 | I | 95.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126 | 178.8 | -63.1 | 168.9 | 0 | 0 | 0 | 108.4 | V461 L469 V471 V486 V487 W488 I513 T540 V541 A543 | V461-I525 HydrophobicContact CB-CD1 4.47Å; V461-I525 HydrophobicContact CG1-CD1 3.73Å; V461-I525 HydrophobicContact CG2-CB 4.44Å; V461-I525 HydrophobicContact CG2-CD1 4.02Å; V461-I525 HydrophobicContact CG2-CG2 4.38Å; L469-I525 HydrophobicContact CD1-CD1 3.79Å; V471-I525 HydrophobicContact CG1-CG2 4.18Å; V471-I525 HydrophobicContact CG2-CD1 4.36Å; V471-I525 HydrophobicContact CG2-CG2 3.95Å; V486-I525 HydrophobicContact CG1-CG2 4.09Å; V487-I525 CarbonylContact O-C 3.55Å; V487-I525 WeakPolarHBondContact O-CA 3.34Å; W488-I525 HydrophobicContact CB-CG1 3.91Å; I513-I525 HydrophobicContact CD1-CD1 3.77Å; I513-I525 HydrophobicContact CD1-CG1 4.18Å; I525-T540 CarbonylContact O-C 3.43Å; I525-T540 VanDerWaalsContact O-CA 3.28Å; I525-T540 WeakPolarHBondContact O-CA 3.37Å; I525-V541 PolarHBondContact N-O 2.93Å; I525-V541 PolarHBondContact O-N 3.03Å; I525-A543 HydrophobicContact CD1-CB 3.85Å |
| 526 | S | 93.5 | Very high | 89 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 126.1 | -178 | -64 | 0 | 0 | 0 | 0 | 111.2 | V487 Q539 T540 | V487-S526 PolarHBondContact N-O 2.9Å; V487-S526 PolarHBondContact O-N 3.48Å; S526-Q539 WeakPolarHBondContact CA-O 3.49Å; S526-T540 VanDerWaalsContact OG-CG2 3.3Å; S526-T540 WeakPolarHBondContact OG-CG2 3.28Å; S526-T540 PolarHBondContact OG-OG1 2.88Å |
| 527 | V | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116 | 178.5 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | V456 V459 V471 W473 V486 P538 Q539 | V456-V527 HydrophobicContact CG1-CG1 4.28Å; V456-V527 HydrophobicContact CG2-CB 3.91Å; V456-V527 HydrophobicContact CG2-CG1 3.84Å; V459-V527 HydrophobicContact CG1-CG2 3.86Å; V459-V527 HydrophobicContact CG2-CB 3.87Å; V459-V527 HydrophobicContact CG2-CG2 3.81Å; V471-V527 HydrophobicContact CG1-CG2 3.83Å; W473-V527 HydrophobicContact CD2-CG1 3.96Å; W473-V527 HydrophobicContact CE3-CG1 4.2Å; W473-V527 HydrophobicContact CE3-CG2 4.28Å; W473-V527 HydrophobicContact CG-CG1 4.25Å; V486-V527 HydrophobicContact CG2-CG1 4.44Å; V486-V527 HydrophobicContact CG2-CG2 4.26Å; V527-P538 WeakPolarHBondContact O-CA 3.2Å; V527-Q539 PolarHBondContact N-O 2.77Å; V527-Q539 PolarHBondContact O-N 2.7Å |
| 528 | Y | 91.3 | Very high | 88.9 | Confident | 28 Ų | 28 | 37.6 Ų | 37.6 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 118.1 | -178.2 | -66.4 | -97.1 | 0 | 0 | 0 | 111.1 | W363 H450 Y484 V485 V487 I535 P538 | W363-Y528 HydrophobicContact CH2-CD1 4.03Å; W363-Y528 AromaticContact CH2-CD2 3.86Å; W363-Y528 HydrophobicContact CH2-CD2 3.86Å; W363-Y528 HydrophobicContact CH2-CE2 4.36Å; W363-Y528 AromaticContact CH2-CG 3.67Å; W363-Y528 HydrophobicContact CH2-CG 3.67Å; W363-Y528 HydrophobicContact CZ2-CD1 4.1Å; W363-Y528 AromaticContact CZ2-CD2 3.63Å; W363-Y528 HydrophobicContact CZ2-CD2 3.63Å; W363-Y528 HydrophobicContact CZ2-CE1 4.16Å; W363-Y528 AromaticContact CZ2-CE2 3.69Å; W363-Y528 HydrophobicContact CZ2-CE2 3.69Å; W363-Y528 AromaticContact CZ2-CG 3.84Å; W363-Y528 HydrophobicContact CZ2-CG 3.84Å; W363-Y528 AromaticContact CZ2-CZ 3.96Å; H450-Y528 AromaticContact CE1-CE1 3.84Å; Y484-Y528 CarbonylContact C-O 3.55Å; Y484-Y528 WeakPolarHBondContact CA-O 3.45Å; V485-Y528 PolarHBondContact N-O 3.09Å; V485-Y528 PolarHBondContact O-N 3.46Å; V487-Y528 HydrophobicContact CB-CD2 4.46Å; V487-Y528 HydrophobicContact CB-CE2 4.04Å; V487-Y528 HydrophobicContact CG2-CD2 3.76Å; V487-Y528 HydrophobicContact CG2-CE2 3.65Å; Y528-I535 HydrophobicContact CD1-CG2 3.82Å; Y528-I535 HydrophobicContact CG-CG2 4.28Å; Y528-P538 HydrophobicContact CD1-CB 3.72Å; Y528-P538 HydrophobicContact CD1-CG 4.11Å; Y528-P538 HydrophobicContact CD2-CB 4.28Å; Y528-P538 HydrophobicContact CE1-CB 3.52Å; Y528-P538 HydrophobicContact CE1-CG 3.54Å; Y528-P538 HydrophobicContact CE2-CB 4.09Å; Y528-P538 HydrophobicContact CG-CB 4.11Å |
| 529 | P | 90.4 | Very high | 89 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 128.8 | 170.4 | 27.8 | -30.9 | 0 | 0 | 0 | 111.4 | A454 V456 I476 Y484 Y531 G536 L537 | A454-P529 VanDerWaalsContact O-CG 3.28Å; A454-P529 WeakPolarHBondContact O-CG 3.47Å; V456-P529 HydrophobicContact CG1-CB 4.2Å; V456-P529 HydrophobicContact CG1-CG 4.38Å; I476-P529 HydrophobicContact CD1-CB 3.72Å; I476-P529 HydrophobicContact CD1-CG 4.14Å; Y484-P529 HydrophobicContact CD1-CB 4.15Å; Y484-P529 HydrophobicContact CE1-CB 4.24Å; P529-Y531 HydrophobicContact CB-CE2 3.84Å; P529-Y531 HydrophobicContact CG-CE2 3.92Å; P529-G536 PolarHBondContact O-N 2.95Å; P529-L537 VanDerWaalsContact CD-O 3.32Å; P529-L537 WeakPolarHBondContact CD-O 3.25Å |
| 530 | K | 88.8 | Confident | 89.1 | Confident | 55 Ų | 55 | 39 Ų | 39 | 24% | 0.239 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 112.8 | -179.4 | -172.7 | -171 | 175.8 | -176.8 | 0 | 110.7 | T482 G483 | T482-K530 PolarHBondContact N-O 2.78Å; T482-K530 WeakPolarHBondContact OG1-CG 3.36Å; T482-K530 PolarHBondContact OG1-O 2.74Å; G483-K530 WeakPolarHBondContact O-CB 3.46Å; G483-K530 PolarHBondContact O-N 2.86Å |
| 531 | Y | 86.7 | Confident | 89.2 | Confident | 17 Ų | 17 | 36.6 Ų | 36.6 | 7% | 0.067 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 164 | 178 | -63.5 | -91.5 | 0 | 0 | 0 | 111.8 | L453 A454 S480 V481 P529 D533 G534 | L453-Y531 HydrophobicContact CB-CD2 4.01Å; L453-Y531 HydrophobicContact CB-CE2 3.74Å; L453-Y531 HydrophobicContact CD1-CD2 3.63Å; L453-Y531 HydrophobicContact CD1-CE2 4.25Å; L453-Y531 HydrophobicContact CD1-CG 3.8Å; L453-Y531 HydrophobicContact CG-CD2 4.43Å; A454-Y531 PolarHBondContact O-OH 2.98Å; S480-Y531 CarbonylContact O-C 3.55Å; S480-Y531 VanDerWaalsContact O-CA 3.3Å; S480-Y531 WeakPolarHBondContact O-CA 3.2Å; S480-Y531 WeakPolarHBondContact OG-CD1 3.42Å; V481-Y531 HydrophobicContact CG2-CD1 3.75Å; V481-Y531 HydrophobicContact CG2-CE1 3.35Å; P529-Y531 HydrophobicContact CB-CE2 3.84Å; P529-Y531 HydrophobicContact CG-CE2 3.92Å; Y531-D533 PolarHBondContact O-N 2.89Å; Y531-G534 CarbonylContact C-O 3.6Å; Y531-G534 WeakPolarHBondContact CA-O 3.39Å; Y531-G534 WeakPolarHBondContact CB-O 3.44Å; Y531-G534 PolarHBondContact N-O 2.88Å; Y531-G534 PolarHBondContact O-N 2.89Å; Y531-G534 VanDerWaalsContact O-O 3.06Å |
| 532 | K | 83.3 | Confident | 89.3 | Confident | 133 Ų | 133 | 37.4 Ų | 37.4 | 58% | 0.578 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -34.2 | 175.4 | -74.1 | 170.6 | 175.2 | 164.8 | 0 | 113.9 | S479 S480 T482 | S479-K532 VanDerWaalsContact O-CE 3.28Å; S479-K532 WeakPolarHBondContact O-CE 3.14Å; S479-K532 PolarHBondContact O-NZ 2.81Å; S480-K532 PolarHBondContact O-N 3.38Å; T482-K532 HydrophobicContact CG2-CB 4.49Å; T482-K532 HydrophobicContact CG2-CG 3.68Å |
| 533 | D | 75.8 | Confident | 89.4 | Confident | 110 Ų | 110 | 37.7 Ų | 37.7 | 59% | 0.588 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.6 | 6.1 | -172.2 | -65.2 | -81.5 | 0 | 0 | 0 | 114.7 | R451 Y531 | R451-D533 PolarHBondContact NE-O 3.4Å; R451-D533 PolarHBondContact NH2-O 2.91Å; Y531-D533 PolarHBondContact O-N 2.89Å |
| 534 | G | 79.9 | Confident | 89.4 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.1 | 175.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y531 | Y531-G534 CarbonylContact C-O 3.6Å; Y531-G534 WeakPolarHBondContact CA-O 3.39Å; Y531-G534 WeakPolarHBondContact CB-O 3.44Å; Y531-G534 PolarHBondContact N-O 2.88Å; Y531-G534 PolarHBondContact O-N 2.89Å; Y531-G534 VanDerWaalsContact O-O 3.06Å |
| 535 | I | 85.8 | Confident | 89.4 | Confident | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.036 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 137.5 | 166.2 | -65.2 | 166.7 | 0 | 0 | 0 | 107.1 | W363 F448 Y528 | W363-I535 HydrophobicContact CH2-CD1 3.78Å; W363-I535 HydrophobicContact CH2-CG2 4.27Å; W363-I535 HydrophobicContact CZ3-CD1 3.54Å; F448-I535 HydrophobicContact CB-CB 4.3Å; F448-I535 HydrophobicContact CB-CD1 3.64Å; F448-I535 HydrophobicContact CB-CG1 3.66Å; F448-I535 HydrophobicContact CD2-CD1 3.72Å; F448-I535 HydrophobicContact CD2-CG1 3.99Å; F448-I535 HydrophobicContact CG-CD1 3.93Å; F448-I535 HydrophobicContact CG-CG1 3.83Å; Y528-I535 HydrophobicContact CD1-CG2 3.82Å; Y528-I535 HydrophobicContact CG-CG2 4.28Å |
| 536 | G | 86.3 | Confident | 89.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -76.5 | -166.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | H450 P529 | H450-G536 PolarHBondContact ND1-O 2.91Å; P529-G536 PolarHBondContact O-N 2.95Å | ||
| 537 | L | 86.6 | Confident | 89.3 | Confident | 90 Ų | 90 | 42.9 Ų | 42.9 | 47% | 0.471 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -77.1 | 140.8 | 171 | -63.2 | 174.5 | 0 | 0 | 0 | 109.9 | L453 A455 P529 | L453-L537 PolarHBondContact O-N 2.87Å; A455-L537 VanDerWaalsContact CA-O 3.29Å; A455-L537 WeakPolarHBondContact CA-O 3.28Å; A455-L537 HydrophobicContact CB-CB 4.25Å; A455-L537 WeakPolarHBondContact CB-O 3.27Å; P529-L537 VanDerWaalsContact CD-O 3.32Å; P529-L537 WeakPolarHBondContact CD-O 3.25Å |
| 538 | P | 89.8 | Confident | 89.2 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 29% | 0.292 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -72 | 152.5 | 170.4 | 29.3 | -32 | 0 | 0 | 0 | 111.4 | V527 Y528 | V527-P538 WeakPolarHBondContact O-CA 3.2Å; Y528-P538 HydrophobicContact CD1-CB 3.72Å; Y528-P538 HydrophobicContact CD1-CG 4.11Å; Y528-P538 HydrophobicContact CD2-CB 4.28Å; Y528-P538 HydrophobicContact CE1-CB 3.52Å; Y528-P538 HydrophobicContact CE1-CG 3.54Å; Y528-P538 HydrophobicContact CE2-CB 4.09Å; Y528-P538 HydrophobicContact CG-CB 4.11Å |
| 539 | Q | 92.3 | Very high | 89.3 | Confident | 56 Ų | 56 | 48.4 Ų | 48.4 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 136.4 | 148.6 | -178.4 | 179.8 | 0.1 | 0 | 0 | 107.9 | V456 V459 S526 V527 | V456-Q539 HydrophobicContact CG2-CB 3.94Å; V456-Q539 PolarHBondContact O-OE1 3.39Å; V459-Q539 HydrophobicContact CB-CB 4.38Å; V459-Q539 HydrophobicContact CB-CG 3.94Å; V459-Q539 HydrophobicContact CG2-CB 3.79Å; V459-Q539 HydrophobicContact CG2-CG 3.9Å; V459-Q539 VanDerWaalsContact N-OE1 3.08Å; S526-Q539 WeakPolarHBondContact CA-O 3.49Å; V527-Q539 PolarHBondContact N-O 2.77Å; V527-Q539 PolarHBondContact O-N 2.7Å |
| 540 | T | 93.1 | Very high | 89.5 | Confident | 69 Ų | 69 | 48.7 Ų | 48.7 | 42% | 0.423 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138.1 | -171 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | E524 I525 S526 | E524-T540 HydrophobicContact CG-CG2 3.41Å; E524-T540 VanDerWaalsContact CG-CG2 3.41Å; I525-T540 CarbonylContact O-C 3.43Å; I525-T540 VanDerWaalsContact O-CA 3.28Å; I525-T540 WeakPolarHBondContact O-CA 3.37Å; S526-T540 VanDerWaalsContact OG-CG2 3.3Å; S526-T540 WeakPolarHBondContact OG-CG2 3.28Å; S526-T540 PolarHBondContact OG-OG1 2.88Å |
| 541 | V | 93.1 | Very high | 89.7 | Confident | 41 Ų | 41 | 50 Ų | 50 | 25% | 0.248 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 142.4 | -173.9 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | V459 V461 I525 | V459-V541 HydrophobicContact CB-CG2 4.16Å; V459-V541 HydrophobicContact CG1-CG2 3.8Å; V461-V541 HydrophobicContact CG2-CB 4.32Å; V461-V541 HydrophobicContact CG2-CG1 4.21Å; I525-V541 PolarHBondContact N-O 2.93Å; I525-V541 PolarHBondContact O-N 3.03Å |
| 542 | E | 92.8 | Very high | 90 | Very high | 68 Ų | 68 | 50.5 Ų | 50.5 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 134.5 | 168.9 | -178.7 | 178.1 | 166 | 0 | 0 | 110.4 | L491 P522 Y523 Y544 | L491-E542 HydrophobicContact CD1-CB 4.46Å; L491-E542 HydrophobicContact CD1-CG 3.95Å; P522-E542 HydrophobicContact CB-CG 4.44Å; Y523-E542 CarbonylContact O-C 3.46Å; Y523-E542 WeakPolarHBondContact O-CA 3.42Å; E542-Y544 HydrophobicContact CG-CE2 3.98Å; E542-Y544 WeakPolarHBondContact OE1-CE2 3.2Å; E542-Y544 VanDerWaalsContact OE1-CZ 3.32Å; E542-Y544 PolarHBondContact OE1-OH 2.72Å |
| 543 | A | 92.9 | Very high | 90.4 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 156.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V461 L469 Y523 I525 | V461-A543 HydrophobicContact CB-CB 3.91Å; V461-A543 HydrophobicContact CG1-CB 3.66Å; V461-A543 HydrophobicContact CG2-CB 4.4Å; L469-A543 HydrophobicContact CD1-CB 4.05Å; Y523-A543 PolarHBondContact N-O 3.2Å; Y523-A543 PolarHBondContact O-N 2.7Å; I525-A543 HydrophobicContact CD1-CB 3.85Å |
| 544 | Y | 92.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 4% | 0.035 | 22% | 0.221 | C | C | . | . | trans | -138.9 | 133.5 | 177.5 | -62.2 | -111.9 | 0 | 0 | 0 | 108.4 | P522 E542 Q547 G580 I581 | P522-Y544 HydrophobicContact CB-CE1 3.91Å; P522-Y544 HydrophobicContact CB-CE2 4.14Å; P522-Y544 WeakPolarHBondContact CB-OH 3.25Å; P522-Y544 HydrophobicContact CG-CE1 4.35Å; E542-Y544 HydrophobicContact CG-CE2 3.98Å; E542-Y544 WeakPolarHBondContact OE1-CE2 3.2Å; E542-Y544 VanDerWaalsContact OE1-CZ 3.32Å; E542-Y544 PolarHBondContact OE1-OH 2.72Å; Y544-Q547 HydrophobicContact CG-CG 4.25Å; Y544-G580 VanDerWaalsContact CE1-CA 3.45Å; Y544-G580 VanDerWaalsContact CE1-N 3.29Å; Y544-G580 VanDerWaalsContact CZ-C 3.48Å; Y544-G580 PolarHBondContact OH-O 2.91Å; Y544-I581 HydrophobicContact CD2-CD1 4.3Å; Y544-I581 HydrophobicContact CD2-CG1 3.64Å; Y544-I581 HydrophobicContact CE2-CG1 3.53Å | ||
| 545 | S | 93.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -74.7 | -33.4 | 177.5 | 55.8 | 0 | 0 | 0 | 0 | 113 | P463 E466 | P463-S545 VanDerWaalsContact CB-O 3.28Å; P463-S545 WeakPolarHBondContact CB-O 3.33Å; E466-S545 VanDerWaalsContact O-CB 3.32Å; E466-S545 WeakPolarHBondContact O-CB 3.37Å; E466-S545 PolarHBondContact O-OG 2.57Å |
| 546 | R | 92.4 | Very high | 92.1 | Very high | 105 Ų | 105 | 45.7 Ų | 45.7 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -136.6 | 145.8 | 167.5 | -82.9 | -75.7 | -173.5 | 72.6 | 6.1 | 108.8 | E466 P519 Y520 | E466-R546 HydrophobicContact CB-CG 4.26Å; E466-R546 VanDerWaalsContact CD-NH1 3.31Å; E466-R546 HydrophobicContact CG-CG 4.4Å; E466-R546 IonicContact OE1-CZ 3.57Å; E466-R546 IonicContact OE1-NH1 3.61Å; E466-R546 PolarHBondContact OE1-NH1 2.92Å; E466-R546 IonicContact OE1-NH2 3.33Å; E466-R546 PolarHBondContact OE1-NH2 2.71Å; P519-R546 HydrophobicContact CB-CB 3.82Å; P519-R546 HydrophobicContact CB-CG 4.42Å; Y520-R546 VanDerWaalsContact CA-O 3.25Å; Y520-R546 WeakPolarHBondContact CA-O 3.35Å; Y520-R546 HydrophobicContact CD1-CB 4.2Å; Y520-R546 HydrophobicContact CE1-CB 3.82Å; Y520-R546 PolarHBondContact N-O 3.42Å |
| 547 | Q | 93.6 | Very high | 92.4 | Very high | 56 Ų | 56 | 51 Ų | 51 | 26% | 0.262 | 27% | 0.269 | S | S | . | . | trans | -116 | 156.9 | 174.6 | -60 | -173.4 | 43.9 | 0 | 0 | 110.1 | Y544 N579 | Y544-Q547 HydrophobicContact CG-CG 4.25Å; Q547-N579 CarbonylContact C-O 3.59Å; Q547-N579 VanDerWaalsContact CA-O 3.26Å; Q547-N579 WeakPolarHBondContact CA-O 3.4Å | ||
| 548 | K | 92.4 | Very high | 92.6 | Very high | 122 Ų | 122 | 49.8 Ų | 49.8 | 53% | 0.53 | 27% | 0.265 | S | S | . | . | trans | -140.6 | 160.7 | 172.6 | -173.7 | -179.6 | 176 | -173.8 | 0 | 108.7 | Y520 N579 T627 G629 | Y520-K548 HydrophobicContact CD1-CB 3.66Å; Y520-K548 HydrophobicContact CE1-CB 3.85Å; K548-N579 HydrophobicContact CB-CB 4.03Å; K548-N579 PolarHBondContact N-O 3.47Å; K548-N579 WeakPolarHBondContact O-CB 3.44Å; K548-T627 PolarHBondContact O-OG1 3.45Å; K548-G629 CarbonylContact C-O 3.59Å; K548-G629 WeakPolarHBondContact CA-O 3.42Å | ||
| 549 | A | 93.5 | Very high | 92.6 | Very high | 22 Ų | 22 | 55.1 Ų | 55.1 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | trans | -44.9 | 142.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N579 G629 S631 | A549-N579 PolarHBondContact O-ND2 2.71Å; A549-G629 VanDerWaalsContact N-C 3.35Å; A549-G629 PolarHBondContact N-O 2.74Å; A549-S631 WeakPolarHBondContact CB-O 3.32Å | ||
| 550 | P | 94.9 | Very high | 92.3 | Very high | 7 Ų | 7 | 55.6 Ų | 55.6 | 5% | 0.045 | 28% | 0.282 | C | S | . | . | trans | -56.3 | 153.4 | 178 | -28.4 | 38.4 | 0 | 0 | 0 | 113.3 | A552 Q577 R578 V625 T627 L632 | P550-A552 WeakPolarHBondContact CB-O 3.45Å; P550-Q577 CarbonylContact C-O 3.6Å; P550-Q577 WeakPolarHBondContact CA-O 3.13Å; P550-R578 WeakPolarHBondContact CA-O 3.45Å; P550-V625 HydrophobicContact CB-CG1 4.23Å; P550-V625 HydrophobicContact CG-CG1 3.86Å; P550-V625 HydrophobicContact CG-CG2 4.16Å; P550-T627 HydrophobicContact CG-CG2 3.74Å; P550-L632 VanDerWaalsContact O-CD2 3.32Å; P550-L632 WeakPolarHBondContact O-CD2 3.4Å | ||
| 551 | S | 93.1 | Very high | 92 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 57% | 0.566 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -82.7 | -18.9 | 172.5 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | Q577 N579 | S551-Q577 PolarHBondContact N-O 3.17Å; S551-N579 PolarHBondContact N-ND2 2.93Å; S551-N579 VanDerWaalsContact N-ND2 3.19Å; S551-N579 PolarHBondContact OG-ND2 3.34Å; S551-N579 PolarHBondContact OG-OD1 2.88Å |
| 552 | A | 92.6 | Very high | 91.4 | Very high | 28 Ų | 28 | 55.4 Ų | 55.4 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | trans | -144.7 | 141.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | P550 Q577 | P550-A552 WeakPolarHBondContact CB-O 3.45Å; A552-Q577 HydrophobicContact CB-CB 4.21Å; A552-Q577 HydrophobicContact CB-CG 4.46Å | ||
| 553 | A | 92.1 | Very high | 90.8 | Very high | 22 Ų | 22 | 54.5 Ų | 54.5 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -93.3 | 156.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | V625 L632 G634 | A553-V625 HydrophobicContact CB-CG1 3.98Å; A553-L632 HydrophobicContact CB-CD2 4.33Å; A553-L632 HydrophobicContact CB-CG 4.41Å; A553-G634 VanDerWaalsContact CB-CA 3.43Å |
| 554 | P | 92.4 | Very high | 90.3 | Very high | 10 Ų | 10 | 57.2 Ų | 57.2 | 7% | 0.065 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -82.1 | 146.5 | -177.4 | 35.5 | -34.6 | 0 | 0 | 0 | 111.2 | L556 W570 E571 I573 Y585 I623 | P554-L556 PolarHBondContact O-N 2.9Å; P554-W570 HydrophobicContact CB-CB 4.13Å; P554-W570 HydrophobicContact CB-CG 4.3Å; P554-W570 HydrophobicContact CG-CB 4.35Å; P554-W570 HydrophobicContact CG-CG 4.1Å; P554-E571 WeakPolarHBondContact CB-O 3.44Å; P554-I573 HydrophobicContact CB-CG1 4.07Å; P554-I573 HydrophobicContact CG-CG1 4.28Å; P554-Y585 HydrophobicContact CG-CD1 4.39Å; P554-Y585 HydrophobicContact CG-CE1 3.97Å; P554-I623 HydrophobicContact CG-CD1 4.16Å; P554-I623 HydrophobicContact CG-CG2 4.34Å; P554-I623 VanDerWaalsContact O-CG2 3.25Å; P554-I623 WeakPolarHBondContact O-CG2 3.15Å |
| 555 | D | 90.9 | Very high | 90.1 | Very high | 101 Ų | 101 | 62 Ų | 62 | 54% | 0.54 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 123.9 | 179.7 | -67.4 | -47.6 | 0 | 0 | 0 | 111.9 | R557 W570 | D555-R557 PolarHBondContact O-N 3.35Å; D555-W570 VanDerWaalsContact O-CB 3.27Å; D555-W570 WeakPolarHBondContact O-CB 3.05Å |
| 556 | L | 92.9 | Very high | 90 | Very high | 16 Ų | 16 | 61.9 Ų | 61.9 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 109.3 | -179.8 | -168.4 | 59.2 | 0 | 0 | 0 | 110.1 | P554 L568 W570 I587 I623 V637 | P554-L556 PolarHBondContact O-N 2.9Å; L556-L568 HydrophobicContact CD1-CB 3.84Å; L556-L568 HydrophobicContact CD1-CD1 4.26Å; L556-L568 HydrophobicContact CD2-CD1 4.15Å; L556-L568 HydrophobicContact CG-CB 4.45Å; L556-L568 HydrophobicContact CG-CD1 4.33Å; L556-W570 HydrophobicContact CD1-CE3 3.77Å; L556-W570 HydrophobicContact CD1-CZ3 4.31Å; L556-I587 HydrophobicContact CD1-CG1 4.45Å; L556-I587 HydrophobicContact CD2-CG2 4.34Å; L556-I623 HydrophobicContact CB-CG2 4.12Å; L556-I623 HydrophobicContact CD1-CB 4.39Å; L556-I623 HydrophobicContact CD1-CD1 4.42Å; L556-I623 HydrophobicContact CD2-CB 4.29Å; L556-V637 HydrophobicContact CB-CG2 4.46Å; L556-V637 HydrophobicContact CD2-CG2 3.93Å; L556-V637 HydrophobicContact CG-CG2 4.31Å |
| 557 | R | 92.3 | Very high | 90 | Very high | 112 Ų | 112 | 57.9 Ų | 57.9 | 42% | 0.423 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 143.5 | -179.2 | -57.2 | -173.6 | -170.8 | 151.6 | 12.3 | 110.9 | D555 L568 T569 E571 | D555-R557 PolarHBondContact O-N 3.35Å; R557-L568 CarbonylContact O-C 3.54Å; R557-L568 WeakPolarHBondContact O-CA 3.17Å; R557-T569 HydrophobicContact CB-CG2 4.26Å; R557-T569 PolarHBondContact N-O 2.88Å; R557-T569 PolarHBondContact O-N 2.85Å; R557-E571 IonicContact CZ-OE1 3.78Å; R557-E571 IonicContact CZ-OE2 2.71Å; R557-E571 VanDerWaalsContact NH1-CD 3.31Å; R557-E571 IonicContact NH1-OE1 2.71Å; R557-E571 PolarHBondContact NH1-OE1 3.02Å; R557-E571 IonicContact NH1-OE2 3.45Å; R557-E571 IonicContact NH2-OE1 2.77Å; R557-E571 PolarHBondContact NH2-OE1 2.96Å; R557-E571 IonicContact NH2-OE2 3.08Å; R557-E571 PolarHBondContact NH2-OE2 3.45Å |
| 558 | V | 91.9 | Very high | 90.1 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 39% | 0.394 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 136.9 | 175.1 | -168 | 0 | 0 | 0 | 0 | 109.7 | I561 I566 L568 L639 | V558-I561 HydrophobicContact CG1-CD1 4Å; V558-I561 HydrophobicContact CG1-CG1 3.52Å; V558-I566 HydrophobicContact CG1-CG2 3.97Å; V558-L568 HydrophobicContact CB-CD2 4.33Å; V558-L568 HydrophobicContact CG1-CD2 4.32Å; V558-L568 HydrophobicContact CG2-CD2 3.91Å; V558-L639 HydrophobicContact CG2-CD2 3.47Å; V558-L639 VanDerWaalsContact CG2-CD2 3.47Å |
| 559 | R | 89.4 | Confident | 90.2 | Very high | 157 Ų | 157 | 51.6 Ų | 51.6 | 59% | 0.592 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -40 | -179.2 | -175.8 | 174.1 | -179.5 | -119.1 | -9.6 | 113 | E567 T569 | R559-E567 HydrophobicContact CB-CB 4.31Å; R559-E567 HydrophobicContact CB-CG 4.25Å; R559-E567 IonicContact CZ-OE1 3.39Å; R559-E567 IonicContact CZ-OE2 2.77Å; R559-E567 PolarHBondContact N-O 2.96Å; R559-E567 IonicContact NH1-OE1 2.66Å; R559-E567 PolarHBondContact NH1-OE1 2.97Å; R559-E567 IonicContact NH1-OE2 2.68Å; R559-E567 PolarHBondContact NH1-OE2 2.02Å; R559-T569 HydrophobicContact CB-CG2 4.06Å |
| 560 | E | 86.7 | Confident | 90.2 | Very high | 66 Ų | 66 | 51 Ų | 51 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 135.6 | 177 | -172.3 | -168.6 | -122.1 | 0 | 0 | 108.1 | L562 R565 I566 E567 | E560-L562 HydrophobicContact CG-CD1 4.23Å; E560-L562 HydrophobicContact CG-CG 4.31Å; E560-R565 IonicContact OE1-CZ 3.82Å; E560-R565 IonicContact OE1-NH2 2.67Å; E560-R565 PolarHBondContact OE1-NH2 3.34Å; E560-R565 IonicContact OE2-CZ 3.93Å; E560-R565 IonicContact OE2-NE 3.17Å; E560-R565 PolarHBondContact OE2-NE 3.4Å; E560-R565 IonicContact OE2-NH2 2.87Å; E560-R565 PolarHBondContact OE2-NH2 3.36Å; E560-I566 CarbonylContact O-C 3.58Å; E560-I566 WeakPolarHBondContact O-CA 3.12Å; E560-E567 HydrophobicContact CB-CB 4.02Å; E560-E567 PolarHBondContact N-O 3.04Å; E560-E567 PolarHBondContact O-N 2.79Å |
| 561 | I | 85.3 | Confident | 90 | Very high | 59 Ų | 59 | 56 Ų | 56 | 30% | 0.303 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 138 | 168.5 | -59.1 | 179.7 | 0 | 0 | 0 | 106.7 | V558 I566 K640 E642 | V558-I561 HydrophobicContact CG1-CD1 4Å; V558-I561 HydrophobicContact CG1-CG1 3.52Å; I561-I566 HydrophobicContact CG1-CG2 4.48Å; I561-I566 HydrophobicContact CG2-CD1 4.39Å; I561-I566 HydrophobicContact CG2-CG1 4.25Å; I561-K640 WeakPolarHBondContact CG2-O 3.46Å; I561-E642 HydrophobicContact CG2-CG 3.96Å |
| 562 | L | 81.9 | Confident | 89.8 | Confident | 46 Ų | 46 | 56.3 Ų | 56.3 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 164.8 | 173.1 | -80.9 | 168.1 | 0 | 0 | 0 | 110.3 | E560 S564 R565 | E560-L562 HydrophobicContact CG-CD1 4.23Å; E560-L562 HydrophobicContact CG-CG 4.31Å; L562-S564 PolarHBondContact O-N 3.24Å; L562-R565 HydrophobicContact CB-CG 3.93Å; L562-R565 HydrophobicContact CD1-CG 4Å; L562-R565 VanDerWaalsContact CD1-NH2 3.3Å; L562-R565 PolarHBondContact N-O 2.93Å; L562-R565 PolarHBondContact O-N 2.88Å |
| 563 | H | 79.3 | Confident | 89.7 | Confident | 50 Ų | 50 | 55.1 Ų | 55.1 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -36.3 | -34.2 | 178.8 | -52.8 | 103.9 | 0 | 0 | 0 | 118 | P643 D645 | H563-P643 PolarHBondContact CD2-O 3.31Å; H563-P643 PolarHBondContact NE2-O 3.48Å; H563-P643 VanDerWaalsContact NE2-O 3.15Å; H563-D645 PolarHBondContact NE2-N 3.43Å |
| 564 | S | 83.4 | Confident | 89.6 | Confident | 63 Ų | 63 | 57.5 Ų | 57.5 | 44% | 0.441 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.1 | 15.7 | -178.3 | 71.1 | 0 | 0 | 0 | 0 | 114.2 | L562 E612 | L562-S564 PolarHBondContact O-N 3.24Å; S564-E612 PolarHBondContact O-N 2.64Å |
| 565 | R | 88.3 | Confident | 89.3 | Confident | 111 Ų | 111 | 59.4 Ų | 59.4 | 42% | 0.419 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 148.1 | 174.7 | 78.1 | 172.5 | -164 | -121.2 | 1.9 | 110.9 | E560 L562 V609 L610 | E560-R565 IonicContact OE1-CZ 3.82Å; E560-R565 IonicContact OE1-NH2 2.67Å; E560-R565 PolarHBondContact OE1-NH2 3.34Å; E560-R565 IonicContact OE2-CZ 3.93Å; E560-R565 IonicContact OE2-NE 3.17Å; E560-R565 PolarHBondContact OE2-NE 3.4Å; E560-R565 IonicContact OE2-NH2 2.87Å; E560-R565 PolarHBondContact OE2-NH2 3.36Å; L562-R565 HydrophobicContact CB-CG 3.93Å; L562-R565 HydrophobicContact CD1-CG 4Å; L562-R565 VanDerWaalsContact CD1-NH2 3.3Å; L562-R565 PolarHBondContact N-O 2.93Å; L562-R565 PolarHBondContact O-N 2.88Å; R565-V609 HydrophobicContact CB-CG1 4.25Å; R565-L610 WeakPolarHBondContact CA-O 3.44Å; R565-L610 WeakPolarHBondContact CB-O 3.34Å |
| 566 | I | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 127.5 | 172.5 | -63.7 | 179.9 | 0 | 0 | 0 | 108.3 | V558 E560 I561 L568 V609 L610 L613 L639 T641 | V558-I566 HydrophobicContact CG1-CG2 3.97Å; E560-I566 CarbonylContact O-C 3.58Å; E560-I566 WeakPolarHBondContact O-CA 3.12Å; I561-I566 HydrophobicContact CG1-CG2 4.48Å; I561-I566 HydrophobicContact CG2-CD1 4.39Å; I561-I566 HydrophobicContact CG2-CG1 4.25Å; I566-L568 HydrophobicContact CG2-CD2 3.71Å; I566-L568 HydrophobicContact CG2-CG 4.16Å; I566-V609 WeakPolarHBondContact O-CA 3.45Å; I566-L610 PolarHBondContact N-O 2.92Å; I566-L610 VanDerWaalsContact N-O 3.1Å; I566-L610 PolarHBondContact O-N 2.89Å; I566-L613 HydrophobicContact CB-CD1 4.08Å; I566-L613 HydrophobicContact CD1-CD1 3.82Å; I566-L613 HydrophobicContact CG1-CD1 3.65Å; I566-L639 HydrophobicContact CD1-CB 3.88Å; I566-T641 HydrophobicContact CD1-CG2 4.11Å; I566-T641 HydrophobicContact CG1-CG2 4.49Å |
| 567 | E | 92.8 | Very high | 88.9 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 128.3 | 170.9 | -169.8 | 179.9 | 179.8 | 0 | 0 | 110.2 | R559 E560 R607 V608 V609 | R559-E567 HydrophobicContact CB-CB 4.31Å; R559-E567 HydrophobicContact CB-CG 4.25Å; R559-E567 IonicContact CZ-OE1 3.39Å; R559-E567 IonicContact CZ-OE2 2.77Å; R559-E567 PolarHBondContact N-O 2.96Å; R559-E567 IonicContact NH1-OE1 2.66Å; R559-E567 PolarHBondContact NH1-OE1 2.97Å; R559-E567 IonicContact NH1-OE2 2.68Å; R559-E567 PolarHBondContact NH1-OE2 2.02Å; E560-E567 HydrophobicContact CB-CB 4.02Å; E560-E567 PolarHBondContact N-O 3.04Å; E560-E567 PolarHBondContact O-N 2.79Å; E567-R607 WeakPolarHBondContact OE1-CD 3.3Å; E567-V608 WeakPolarHBondContact CA-O 3.28Å; E567-V609 HydrophobicContact CB-CG2 4.26Å; E567-V609 HydrophobicContact CG-CG2 4.01Å |
| 568 | L | 94 | Very high | 88.8 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 147 | 178.7 | -54.9 | 173.4 | 0 | 0 | 0 | 109.7 | L556 R557 V558 I566 I587 R607 V608 L610 L639 | L556-L568 HydrophobicContact CD1-CB 3.84Å; L556-L568 HydrophobicContact CD1-CD1 4.26Å; L556-L568 HydrophobicContact CD2-CD1 4.15Å; L556-L568 HydrophobicContact CG-CB 4.45Å; L556-L568 HydrophobicContact CG-CD1 4.33Å; R557-L568 CarbonylContact O-C 3.54Å; R557-L568 WeakPolarHBondContact O-CA 3.17Å; V558-L568 HydrophobicContact CB-CD2 4.33Å; V558-L568 HydrophobicContact CG1-CD2 4.32Å; V558-L568 HydrophobicContact CG2-CD2 3.91Å; I566-L568 HydrophobicContact CG2-CD2 3.71Å; I566-L568 HydrophobicContact CG2-CG 4.16Å; L568-I587 HydrophobicContact CD1-CG2 4.17Å; L568-R607 CarbonylContact O-C 3.51Å; L568-R607 WeakPolarHBondContact O-CA 3.02Å; L568-R607 WeakPolarHBondContact O-CB 3.4Å; L568-V608 HydrophobicContact CB-CG1 4.04Å; L568-V608 HydrophobicContact CD1-CG1 4.35Å; L568-V608 PolarHBondContact N-O 2.89Å; L568-V608 PolarHBondContact O-N 3.03Å; L568-L610 HydrophobicContact CD1-CD1 3.8Å; L568-L610 HydrophobicContact CD1-CG 4.02Å; L568-L639 HydrophobicContact CD1-CD1 4.02Å; L568-L639 HydrophobicContact CD2-CD1 4.08Å; L568-L639 HydrophobicContact CD2-CD2 3.85Å |
| 569 | T | 94.8 | Very high | 88.8 | Confident | 47 Ų | 47 | 56.2 Ų | 56.2 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 153.3 | -175.8 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | R557 R559 R606 | R557-T569 HydrophobicContact CB-CG2 4.26Å; R557-T569 PolarHBondContact N-O 2.88Å; R557-T569 PolarHBondContact O-N 2.85Å; R559-T569 HydrophobicContact CB-CG2 4.06Å; T569-R606 WeakPolarHBondContact CA-O 3.42Å; T569-R606 PolarHBondContact OG1-O 2.9Å |
| 570 | W | 93.8 | Very high | 88.9 | Confident | 9 Ų | 9 | 48.7 Ų | 48.7 | 3% | 0.034 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 158.5 | -179 | 56.9 | 94.8 | 0 | 0 | 0 | 112.7 | P554 D555 L556 Y585 I587 A601 R606 V608 I623 | P554-W570 HydrophobicContact CB-CB 4.13Å; P554-W570 HydrophobicContact CB-CG 4.3Å; P554-W570 HydrophobicContact CG-CB 4.35Å; P554-W570 HydrophobicContact CG-CG 4.1Å; D555-W570 VanDerWaalsContact O-CB 3.27Å; D555-W570 WeakPolarHBondContact O-CB 3.05Å; L556-W570 HydrophobicContact CD1-CE3 3.77Å; L556-W570 HydrophobicContact CD1-CZ3 4.31Å; W570-Y585 HydrophobicContact CZ2-CD2 4.02Å; W570-Y585 AromaticContact CZ2-CG 3.94Å; W570-Y585 HydrophobicContact CZ2-CG 3.94Å; W570-Y585 AromaticContact NE1-CD1 3.69Å; W570-Y585 AromaticContact NE1-CD2 3.74Å; W570-Y585 AromaticContact NE1-CE1 3.72Å; W570-Y585 AromaticContact NE1-CE2 3.77Å; W570-Y585 AromaticContact NE1-CG 3.71Å; W570-Y585 AromaticContact NE1-CZ 3.76Å; W570-I587 HydrophobicContact CH2-CD1 3.91Å; W570-I587 HydrophobicContact CZ3-CD1 4.1Å; W570-A601 HydrophobicContact CH2-CB 3.48Å; W570-A601 VanDerWaalsContact CH2-CB 3.48Å; W570-A601 HydrophobicContact CZ2-CB 3.85Å; W570-R606 PolarHBondContact N-O 2.78Å; W570-V608 HydrophobicContact CH2-CB 4.3Å; W570-V608 HydrophobicContact CZ3-CB 4.32Å; W570-V608 HydrophobicContact CZ3-CG1 4.11Å; W570-I623 HydrophobicContact CD2-CD1 3.51Å; W570-I623 HydrophobicContact CE3-CD1 3.86Å; W570-I623 HydrophobicContact CG-CD1 3.91Å; W570-I623 HydrophobicContact CH2-CD1 4.34Å; W570-I623 HydrophobicContact CZ2-CD1 4Å; W570-I623 HydrophobicContact CZ3-CD1 4.27Å |
| 571 | E | 91.8 | Very high | 89.1 | Confident | 112 Ų | 112 | 49.1 Ų | 49.1 | 52% | 0.523 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 169.8 | 178.8 | -75.8 | 176.4 | 179.3 | 0 | 0 | 112.5 | P554 R557 | P554-E571 WeakPolarHBondContact CB-O 3.44Å; R557-E571 IonicContact CZ-OE1 3.78Å; R557-E571 IonicContact CZ-OE2 2.71Å; R557-E571 VanDerWaalsContact NH1-CD 3.31Å; R557-E571 IonicContact NH1-OE1 2.71Å; R557-E571 PolarHBondContact NH1-OE1 3.02Å; R557-E571 IonicContact NH1-OE2 3.45Å; R557-E571 IonicContact NH2-OE1 2.77Å; R557-E571 PolarHBondContact NH2-OE1 2.96Å; R557-E571 IonicContact NH2-OE2 3.08Å; R557-E571 PolarHBondContact NH2-OE2 3.45Å |
| 572 | E | 88.7 | Confident | 89.4 | Confident | 87 Ų | 87 | 47.4 Ų | 47.4 | 41% | 0.407 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -82.2 | 128.7 | -178.8 | -149.2 | 179.9 | 152.5 | 0 | 0 | 111.2 | P574 R578 R606 | E572-P574 WeakPolarHBondContact O-CD 3.37Å; E572-R578 VanDerWaalsContact CD-NH2 3.28Å; E572-R578 IonicContact OE1-CZ 3.6Å; E572-R578 IonicContact OE1-NH1 3.69Å; E572-R578 PolarHBondContact OE1-NH1 3.43Å; E572-R578 IonicContact OE1-NH2 3.22Å; E572-R578 PolarHBondContact OE1-NH2 3.26Å; E572-R606 IonicContact OE1-NH2 3.18Å; E572-R606 IonicContact OE2-CZ 3.71Å; E572-R606 IonicContact OE2-NH1 3.32Å; E572-R606 PolarHBondContact OE2-NH1 2.87Å; E572-R606 IonicContact OE2-NH2 2.84Å; E572-R606 PolarHBondContact OE2-NH2 2.81Å |
| 573 | I | 90.3 | Very high | 89.9 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 128 | 175.4 | -54.7 | 169.7 | 0 | 0 | 0 | 109 | P554 Q577 R578 Y585 V625 | P554-I573 HydrophobicContact CB-CG1 4.07Å; P554-I573 HydrophobicContact CG-CG1 4.28Å; I573-Q577 HydrophobicContact CG2-CB 3.9Å; I573-R578 HydrophobicContact CB-CG 4.03Å; I573-R578 HydrophobicContact CG2-CG 3.86Å; I573-R578 VanDerWaalsContact O-CZ 3.28Å; I573-R578 PolarHBondContact O-NE 2.92Å; I573-R578 PolarHBondContact O-NH2 2.98Å; I573-Y585 HydrophobicContact CD1-CE1 4.37Å; I573-V625 HydrophobicContact CD1-CB 4.27Å; I573-V625 HydrophobicContact CD1-CG1 4Å; I573-V625 HydrophobicContact CD1-CG2 3.78Å |
| 574 | P | 89.4 | Confident | 90.5 | Very high | 71 Ų | 71 | 49.6 Ų | 49.6 | 46% | 0.461 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 139.2 | 173.6 | -28 | 35.3 | 0 | 0 | 0 | 112.2 | E572 C576 Q577 R578 | E572-P574 WeakPolarHBondContact O-CD 3.37Å; P574-C576 PolarHBondContact O-N 3.3Å; P574-C576 VanDerWaalsContact O-N 3.12Å; P574-Q577 WeakPolarHBondContact O-CA 3.49Å; P574-Q577 PolarHBondContact O-N 3.44Å; P574-R578 PolarHBondContact O-N 3.34Å |
| 575 | L | 87.1 | Confident | 91.1 | Very high | 51 Ų | 51 | 47.2 Ų | 47.2 | 27% | 0.267 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -50.6 | -42 | -176.7 | -75.8 | 166.9 | 0 | 0 | 0 | 113.1 | L491 P522 Q577 R578 | L491-L575 HydrophobicContact CB-CD1 4.17Å; P522-L575 HydrophobicContact CB-CD2 4.43Å; P522-L575 HydrophobicContact CG-CB 4.18Å; P522-L575 HydrophobicContact CG-CD2 4.16Å; L575-Q577 PolarHBondContact O-N 3.48Å; L575-Q577 VanDerWaalsContact O-N 3.08Å; L575-R578 PolarHBondContact O-N 2.95Å |
| 576 | C | 85.4 | Confident | 91.4 | Very high | 88 Ų | 88 | 44.5 Ų | 44.5 | 60% | 0.595 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66 | -5.9 | 178.4 | -47.2 | 0 | 0 | 0 | 0 | 114.8 | P574 | P574-C576 PolarHBondContact O-N 3.3Å; P574-C576 VanDerWaalsContact O-N 3.12Å |
| 577 | Q | 89.6 | Confident | 91.6 | Very high | 79 Ų | 79 | 44.5 Ų | 44.5 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -118.7 | -8.1 | -178.7 | -67 | 175.4 | -20 | 0 | 0 | 113 | P550 S551 A552 I573 P574 L575 | P550-Q577 CarbonylContact C-O 3.6Å; P550-Q577 WeakPolarHBondContact CA-O 3.13Å; S551-Q577 PolarHBondContact N-O 3.17Å; A552-Q577 HydrophobicContact CB-CB 4.21Å; A552-Q577 HydrophobicContact CB-CG 4.46Å; I573-Q577 HydrophobicContact CG2-CB 3.9Å; P574-Q577 WeakPolarHBondContact O-CA 3.49Å; P574-Q577 PolarHBondContact O-N 3.44Å; L575-Q577 PolarHBondContact O-N 3.48Å; L575-Q577 VanDerWaalsContact O-N 3.08Å |
| 578 | R | 90.1 | Very high | 91.6 | Very high | 37 Ų | 37 | 45.4 Ų | 45.4 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -72.7 | -37.5 | -179.6 | -63.8 | -179.7 | -165.1 | -173.2 | 0.8 | 113.3 | P550 E572 I573 P574 L575 G580 | P550-R578 WeakPolarHBondContact CA-O 3.45Å; E572-R578 VanDerWaalsContact CD-NH2 3.28Å; E572-R578 IonicContact OE1-CZ 3.6Å; E572-R578 IonicContact OE1-NH1 3.69Å; E572-R578 PolarHBondContact OE1-NH1 3.43Å; E572-R578 IonicContact OE1-NH2 3.22Å; E572-R578 PolarHBondContact OE1-NH2 3.26Å; I573-R578 HydrophobicContact CB-CG 4.03Å; I573-R578 HydrophobicContact CG2-CG 3.86Å; I573-R578 VanDerWaalsContact O-CZ 3.28Å; I573-R578 PolarHBondContact O-NE 2.92Å; I573-R578 PolarHBondContact O-NH2 2.98Å; P574-R578 PolarHBondContact O-N 3.34Å; L575-R578 PolarHBondContact O-N 2.95Å; R578-G580 WeakPolarHBondContact CB-O 3.31Å; R578-G580 PolarHBondContact O-N 2.95Å |
| 579 | N | 91.3 | Very high | 91.6 | Very high | 22 Ų | 22 | 46 Ų | 46 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | trans | 55.5 | 10.6 | -173.6 | -49.3 | -27 | 0 | 0 | 0 | 115.6 | Y520 Q547 K548 A549 S551 | Y520-N579 WeakPolarHBondContact O-CA 3.28Å; Q547-N579 CarbonylContact C-O 3.59Å; Q547-N579 VanDerWaalsContact CA-O 3.26Å; Q547-N579 WeakPolarHBondContact CA-O 3.4Å; K548-N579 HydrophobicContact CB-CB 4.03Å; K548-N579 PolarHBondContact N-O 3.47Å; K548-N579 WeakPolarHBondContact O-CB 3.44Å; A549-N579 PolarHBondContact O-ND2 2.71Å; S551-N579 PolarHBondContact N-ND2 2.93Å; S551-N579 VanDerWaalsContact N-ND2 3.19Å; S551-N579 PolarHBondContact OG-ND2 3.34Å; S551-N579 PolarHBondContact OG-OD1 2.88Å | ||
| 580 | G | 91.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 170.5 | 177.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y544 R578 | Y544-G580 VanDerWaalsContact CE1-CA 3.45Å; Y544-G580 VanDerWaalsContact CE1-N 3.29Å; Y544-G580 VanDerWaalsContact CZ-C 3.48Å; Y544-G580 PolarHBondContact OH-O 2.91Å; R578-G580 WeakPolarHBondContact CB-O 3.31Å; R578-G580 PolarHBondContact O-N 2.95Å |
| 581 | I | 91.4 | Very high | 91.4 | Very high | 75 Ų | 75 | 46.7 Ų | 46.7 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | trans | -78.4 | 126.1 | 174.8 | -57 | 176.3 | 0 | 0 | 0 | 107.7 | Y544 Q583 T627 | Y544-I581 HydrophobicContact CD2-CD1 4.3Å; Y544-I581 HydrophobicContact CD2-CG1 3.64Å; Y544-I581 HydrophobicContact CE2-CG1 3.53Å; I581-Q583 PolarHBondContact O-N 3.36Å; I581-T627 VanDerWaalsContact O-CA 3.3Å; I581-T627 WeakPolarHBondContact O-CA 3.43Å; I581-T627 WeakPolarHBondContact O-CB 3.48Å | ||
| 582 | V | 91.9 | Very high | 91.1 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 125.5 | 175.7 | 178.8 | 0 | 0 | 0 | 0 | 109.4 | Y585 L603 V625 | V582-Y585 HydrophobicContact CG1-CD2 4.45Å; V582-Y585 HydrophobicContact CG1-CE1 4.17Å; V582-Y585 HydrophobicContact CG1-CE2 3.96Å; V582-L603 HydrophobicContact CG1-CD2 4.28Å; V582-L603 VanDerWaalsContact O-CD2 3.25Å; V582-L603 WeakPolarHBondContact O-CD2 3.43Å; V582-V625 HydrophobicContact CG1-CG2 3.81Å; V582-V625 HydrophobicContact CG2-CG2 4.14Å |
| 583 | Q | 91.8 | Very high | 90.9 | Very high | 122 Ų | 122 | 51.4 Ų | 51.4 | 57% | 0.57 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -31.6 | -179.9 | -67.9 | -174.4 | -24.9 | 0 | 0 | 112.6 | I581 S626 | I581-Q583 PolarHBondContact O-N 3.36Å; Q583-S626 PolarHBondContact N-O 3.29Å |
| 584 | S | 92.8 | Very high | 90.5 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 155.1 | 175.9 | 64.7 | 0 | 0 | 0 | 0 | 113 | S626 | S584-S626 PolarHBondContact N-O 2.74Å; S584-S626 PolarHBondContact O-N 3.22Å; S584-S626 WeakPolarHBondContact OG-CB 3.42Å |
| 585 | Y | 94.5 | Very high | 90.4 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.2 | 160.4 | -65 | -71.4 | 0 | 0 | 0 | 107.7 | P554 W570 I573 V582 T600 A601 I623 M624 V625 | P554-Y585 HydrophobicContact CG-CD1 4.39Å; P554-Y585 HydrophobicContact CG-CE1 3.97Å; W570-Y585 HydrophobicContact CZ2-CD2 4.02Å; W570-Y585 AromaticContact CZ2-CG 3.94Å; W570-Y585 HydrophobicContact CZ2-CG 3.94Å; W570-Y585 AromaticContact NE1-CD1 3.69Å; W570-Y585 AromaticContact NE1-CD2 3.74Å; W570-Y585 AromaticContact NE1-CE1 3.72Å; W570-Y585 AromaticContact NE1-CE2 3.77Å; W570-Y585 AromaticContact NE1-CG 3.71Å; W570-Y585 AromaticContact NE1-CZ 3.76Å; I573-Y585 HydrophobicContact CD1-CE1 4.37Å; V582-Y585 HydrophobicContact CG1-CD2 4.45Å; V582-Y585 HydrophobicContact CG1-CE1 4.17Å; V582-Y585 HydrophobicContact CG1-CE2 3.96Å; Y585-T600 WeakPolarHBondContact O-CA 3.47Å; Y585-A601 PolarHBondContact O-N 3.44Å; Y585-I623 HydrophobicContact CD1-CD1 3.97Å; Y585-I623 HydrophobicContact CD1-CG1 4.39Å; Y585-I623 HydrophobicContact CG-CD1 4.34Å; Y585-M624 WeakPolarHBondContact CA-O 3.32Å; Y585-V625 HydrophobicContact CD1-CB 3.95Å; Y585-V625 HydrophobicContact CD1-CG2 3.94Å; Y585-V625 HydrophobicContact CE1-CB 3.99Å; Y585-V625 HydrophobicContact CE1-CG2 3.63Å |
| 586 | Q | 94.6 | Very high | 90.6 | Very high | 54 Ų | 54 | 56.2 Ų | 56.2 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 123.7 | 178.8 | -70.9 | -177.4 | -22.7 | 0 | 0 | 109.5 | F588 V598 T600 M624 | Q586-F588 HydrophobicContact CB-CD2 4.37Å; Q586-F588 HydrophobicContact CB-CE2 3.78Å; Q586-V598 HydrophobicContact CB-CG1 4.36Å; Q586-T600 HydrophobicContact CG-CG2 4.31Å; Q586-M624 HydrophobicContact CB-CB 4.46Å; Q586-M624 PolarHBondContact N-O 2.82Å; Q586-M624 PolarHBondContact O-N 2.95Å |
| 587 | I | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 115.2 | 178 | -63.6 | 76.4 | 0 | 0 | 0 | 107.5 | L556 L568 W570 V598 V599 A601 V608 L610 F622 I623 | L556-I587 HydrophobicContact CD1-CG1 4.45Å; L556-I587 HydrophobicContact CD2-CG2 4.34Å; L568-I587 HydrophobicContact CD1-CG2 4.17Å; W570-I587 HydrophobicContact CH2-CD1 3.91Å; W570-I587 HydrophobicContact CZ3-CD1 4.1Å; I587-V598 WeakPolarHBondContact O-CA 3.41Å; I587-V599 PolarHBondContact N-O 3.26Å; I587-V599 PolarHBondContact O-N 3.17Å; I587-A601 HydrophobicContact CD1-CB 3.99Å; I587-V608 HydrophobicContact CB-CG1 4.42Å; I587-V608 HydrophobicContact CD1-CB 4.24Å; I587-V608 HydrophobicContact CD1-CG1 3.79Å; I587-V608 HydrophobicContact CG1-CG1 3.85Å; I587-L610 HydrophobicContact CG2-CD2 4.35Å; I587-F622 WeakPolarHBondContact CA-O 3.41Å; I587-I623 HydrophobicContact CD1-CD1 4.18Å; I587-I623 HydrophobicContact CD1-CG1 4.36Å; I587-I623 HydrophobicContact CG1-CB 4.41Å; I587-I623 HydrophobicContact CG1-CD1 4.37Å; I587-I623 HydrophobicContact CG1-CG1 4.31Å |
| 588 | F | 94.5 | Very high | 91.1 | Very high | 41 Ų | 41 | 55.3 Ų | 55.3 | 18% | 0.18 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 131.2 | 173.2 | -69.4 | -102.8 | 0 | 0 | 0 | 107.6 | Q586 T596 V598 A621 F622 M624 | Q586-F588 HydrophobicContact CB-CD2 4.37Å; Q586-F588 HydrophobicContact CB-CE2 3.78Å; F588-T596 HydrophobicContact CD1-CG2 4.32Å; F588-V598 HydrophobicContact CD1-CB 4.45Å; F588-V598 HydrophobicContact CD1-CG1 4.16Å; F588-V598 HydrophobicContact CD1-CG2 3.49Å; F588-V598 VanDerWaalsContact CD1-CG2 3.49Å; F588-V598 HydrophobicContact CD2-CG1 4.3Å; F588-V598 HydrophobicContact CE1-CB 4.47Å; F588-V598 HydrophobicContact CE1-CG1 3.98Å; F588-V598 HydrophobicContact CE1-CG2 3.57Å; F588-V598 HydrophobicContact CE2-CG1 4.11Å; F588-V598 HydrophobicContact CG-CG1 4.3Å; F588-V598 HydrophobicContact CG-CG2 4.24Å; F588-V598 HydrophobicContact CZ-CG1 3.95Å; F588-V598 HydrophobicContact CZ-CG2 4.37Å; F588-A621 CarbonylContact O-C 3.46Å; F588-A621 WeakPolarHBondContact O-CA 3.48Å; F588-F622 HydrophobicContact CB-CD1 4.3Å; F588-F622 HydrophobicContact CB-CD2 4.46Å; F588-F622 HydrophobicContact CB-CE1 3.83Å; F588-F622 HydrophobicContact CB-CE2 4.01Å; F588-F622 HydrophobicContact CB-CZ 3.66Å; F588-F622 HydrophobicContact CD1-CZ 4.38Å; F588-F622 HydrophobicContact CD2-CD2 4.44Å; F588-F622 AromaticContact CD2-CE2 3.7Å; F588-F622 HydrophobicContact CD2-CE2 3.7Å; F588-F622 AromaticContact CD2-CZ 3.98Å; F588-F622 HydrophobicContact CD2-CZ 3.98Å; F588-F622 HydrophobicContact CE2-CE2 4.46Å; F588-F622 HydrophobicContact CG-CE1 4.41Å; F588-F622 AromaticContact CG-CE2 3.96Å; F588-F622 HydrophobicContact CG-CE2 3.96Å; F588-F622 AromaticContact CG-CZ 3.75Å; F588-F622 HydrophobicContact CG-CZ 3.75Å; F588-F622 PolarHBondContact N-O 2.85Å; F588-F622 PolarHBondContact O-N 2.79Å; F588-M624 HydrophobicContact CD2-CB 4.12Å; F588-M624 HydrophobicContact CE2-CB 3.77Å; F588-M624 HydrophobicContact CE2-CE 3.66Å; F588-M624 HydrophobicContact CE2-SD 4.06Å; F588-M624 HydrophobicContact CZ-CE 3.8Å; F588-M624 HydrophobicContact CZ-SD 4.41Å |
| 589 | Y | 93.6 | Very high | 91.3 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 145.1 | 176.8 | 67.1 | -76.5 | 0 | 0 | 0 | 111.8 | T596 K597 V599 L610 L613 Y619 K620 | Y589-T596 CarbonylContact O-C 3.57Å; Y589-T596 WeakPolarHBondContact O-CA 3.19Å; Y589-K597 HydrophobicContact CD1-CB 4.16Å; Y589-K597 WeakPolarHBondContact CD1-O 3.26Å; Y589-K597 HydrophobicContact CD2-CB 4.34Å; Y589-K597 HydrophobicContact CE1-CB 3.56Å; Y589-K597 HydrophobicContact CE2-CB 3.78Å; Y589-K597 HydrophobicContact CE2-CD 3.75Å; Y589-K597 HydrophobicContact CE2-CG 4.31Å; Y589-K597 PolarHBondContact N-O 2.91Å; Y589-K597 PolarHBondContact O-N 2.87Å; Y589-K597 WeakPolarHBondContact OH-CD 3.32Å; Y589-V599 HydrophobicContact CE1-CG2 4.05Å; Y589-L610 HydrophobicContact CD1-CD1 4.05Å; Y589-L610 HydrophobicContact CD1-CD2 3.88Å; Y589-L610 HydrophobicContact CD2-CD1 4.06Å; Y589-L610 HydrophobicContact CE1-CD1 4.38Å; Y589-L610 HydrophobicContact CE1-CD2 3.69Å; Y589-L610 HydrophobicContact CE2-CD1 4.37Å; Y589-L610 HydrophobicContact CG-CD1 3.88Å; Y589-L613 HydrophobicContact CD2-CD2 4.03Å; Y589-L613 HydrophobicContact CE2-CD2 3.5Å; Y589-L613 VanDerWaalsContact CE2-CD2 3.5Å; Y589-Y619 HydrophobicContact CD2-CD1 4.15Å; Y589-K620 CarbonylContact C-O 3.52Å; Y589-K620 WeakPolarHBondContact CA-O 3.39Å; Y589-K620 WeakPolarHBondContact CB-O 3.49Å |
| 590 | W | 93.8 | Very high | 91.4 | Very high | 54 Ų | 54 | 58.6 Ų | 58.6 | 21% | 0.205 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 153.6 | -177.7 | 61.4 | 101.7 | 0 | 0 | 0 | 111.1 | Y619 K620 F622 E636 | W590-Y619 CarbonylContact O-C 3.53Å; W590-Y619 VanDerWaalsContact O-CA 3.27Å; W590-Y619 WeakPolarHBondContact O-CA 3.37Å; W590-Y619 WeakPolarHBondContact O-CD1 3.19Å; W590-K620 HydrophobicContact CD2-CB 3.97Å; W590-K620 VanDerWaalsContact CE2-CB 3.45Å; W590-K620 HydrophobicContact CE3-CB 4.47Å; W590-K620 HydrophobicContact CH2-CB 4.04Å; W590-K620 HydrophobicContact CZ2-CB 3.51Å; W590-K620 HydrophobicContact CZ2-CD 4.02Å; W590-K620 HydrophobicContact CZ2-CG 4.38Å; W590-K620 HydrophobicContact CZ3-CB 4.49Å; W590-K620 PolarHBondContact N-O 2.87Å; W590-K620 PolarHBondContact O-N 3.35Å; W590-F622 AromaticContact CH2-CD1 3.73Å; W590-F622 HydrophobicContact CH2-CD1 3.73Å; W590-F622 AromaticContact CH2-CE1 3.97Å; W590-F622 HydrophobicContact CH2-CE1 3.97Å; W590-F622 AromaticContact CZ3-CD1 3.56Å; W590-F622 HydrophobicContact CZ3-CD1 3.56Å; W590-F622 AromaticContact CZ3-CE1 3.66Å; W590-F622 HydrophobicContact CZ3-CE1 3.66Å; W590-E636 HydrophobicContact CH2-CG 4.04Å; W590-E636 HydrophobicContact CZ2-CG 4.32Å; W590-E636 WeakPolarHBondContact CZ2-OE2 3.4Å |
| 591 | D | 90 | Very high | 91.4 | Very high | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -179.1 | 173.7 | 56.7 | 18.8 | 0 | 0 | 0 | 111.7 | Q593 G594 N595 Y619 | D591-Q593 PolarHBondContact O-N 3.5Å; D591-Q593 WeakPolarHBondContact OD1-CA 3.15Å; D591-Q593 WeakPolarHBondContact OD1-CB 3.45Å; D591-Q593 PolarHBondContact OD1-N 2.85Å; D591-Q593 VanDerWaalsContact OD1-N 3.15Å; D591-Q593 PolarHBondContact OD2-OE1 3.27Å; D591-G594 PolarHBondContact O-N 3.47Å; D591-G594 VanDerWaalsContact O-N 3.14Å; D591-G594 PolarHBondContact OD1-N 2.89Å; D591-N595 PolarHBondContact OD1-N 2.96Å; D591-N595 PolarHBondContact OD1-ND2 3.14Å; D591-N595 WeakPolarHBondContact OD2-CB 3.47Å; D591-N595 PolarHBondContact OD2-ND2 2.85Å; D591-Y619 HydrophobicContact CB-CD1 4.07Å; D591-Y619 HydrophobicContact CB-CE1 3.7Å |
| 592 | E | 85.3 | Confident | 91.3 | Very high | 156 Ų | 156 | 60.9 Ų | 60.9 | 73% | 0.729 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.9 | 176.7 | -60.6 | -172.3 | 165.8 | 0 | 0 | 113.1 | S618 | E592-S618 VanDerWaalsContact OE1-CB 3.29Å; E592-S618 WeakPolarHBondContact OE1-CB 3.34Å |
| 593 | Q | 84.2 | Confident | 90.9 | Very high | 143 Ų | 143 | 63.4 Ų | 63.4 | 67% | 0.668 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -11.9 | 176.2 | -61.5 | 76.2 | 11.8 | 0 | 0 | 112.9 | D591 | D591-Q593 PolarHBondContact O-N 3.5Å; D591-Q593 WeakPolarHBondContact OD1-CA 3.15Å; D591-Q593 WeakPolarHBondContact OD1-CB 3.45Å; D591-Q593 PolarHBondContact OD1-N 2.85Å; D591-Q593 VanDerWaalsContact OD1-N 3.15Å; D591-Q593 PolarHBondContact OD2-OE1 3.27Å |
| 594 | G | 81.8 | Confident | 90.6 | Very high | 43 Ų | 43 | 66.1 Ų | 66.1 | 44% | 0.443 | 34% | 0.344 | S | S | . | . | trans | 90 | 15.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D591 T596 | D591-G594 PolarHBondContact O-N 3.47Å; D591-G594 VanDerWaalsContact O-N 3.14Å; D591-G594 PolarHBondContact OD1-N 2.89Å; G594-T596 PolarHBondContact O-N 3.43Å | ||
| 595 | N | 88.3 | Confident | 90.2 | Very high | 98 Ų | 98 | 69.9 Ų | 69.9 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | trans | -75.5 | 84.2 | 179.5 | -60.8 | -60.6 | 0 | 0 | 0 | 111.5 | D591 K597 | D591-N595 PolarHBondContact OD1-N 2.96Å; D591-N595 PolarHBondContact OD1-ND2 3.14Å; D591-N595 WeakPolarHBondContact OD2-CB 3.47Å; D591-N595 PolarHBondContact OD2-ND2 2.85Å; N595-K597 PolarHBondContact O-N 3.16Å | ||
| 596 | T | 90.6 | Very high | 89.9 | Confident | 85 Ų | 85 | 73.5 Ų | 73.5 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | trans | -68 | 120 | 179.8 | -54.4 | 0 | 0 | 0 | 0 | 112.8 | F588 Y589 G594 V598 | F588-T596 HydrophobicContact CD1-CG2 4.32Å; Y589-T596 CarbonylContact O-C 3.57Å; Y589-T596 WeakPolarHBondContact O-CA 3.19Å; G594-T596 PolarHBondContact O-N 3.43Å; T596-V598 HydrophobicContact CG2-CG2 4.39Å | ||
| 597 | K | 91.7 | Very high | 89.8 | Confident | 79 Ų | 79 | 77 Ų | 77 | 34% | 0.343 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 152.9 | 166.9 | -64.4 | 176.2 | -175.3 | 174.1 | 0 | 109.2 | Y589 N595 E612 | Y589-K597 HydrophobicContact CD1-CB 4.16Å; Y589-K597 WeakPolarHBondContact CD1-O 3.26Å; Y589-K597 HydrophobicContact CD2-CB 4.34Å; Y589-K597 HydrophobicContact CE1-CB 3.56Å; Y589-K597 HydrophobicContact CE2-CB 3.78Å; Y589-K597 HydrophobicContact CE2-CD 3.75Å; Y589-K597 HydrophobicContact CE2-CG 4.31Å; Y589-K597 PolarHBondContact N-O 2.91Å; Y589-K597 PolarHBondContact O-N 2.87Å; Y589-K597 WeakPolarHBondContact OH-CD 3.32Å; N595-K597 PolarHBondContact O-N 3.16Å; K597-E612 PolarHBondContact NZ-O 3.22Å |
| 598 | V | 93.4 | Very high | 89.7 | Confident | 69 Ų | 69 | 77.5 Ų | 77.5 | 42% | 0.418 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 135.1 | -179 | -169.1 | 0 | 0 | 0 | 0 | 110.1 | Q586 I587 F588 T596 | Q586-V598 HydrophobicContact CB-CG1 4.36Å; I587-V598 WeakPolarHBondContact O-CA 3.41Å; F588-V598 HydrophobicContact CD1-CB 4.45Å; F588-V598 HydrophobicContact CD1-CG1 4.16Å; F588-V598 HydrophobicContact CD1-CG2 3.49Å; F588-V598 VanDerWaalsContact CD1-CG2 3.49Å; F588-V598 HydrophobicContact CD2-CG1 4.3Å; F588-V598 HydrophobicContact CE1-CB 4.47Å; F588-V598 HydrophobicContact CE1-CG1 3.98Å; F588-V598 HydrophobicContact CE1-CG2 3.57Å; F588-V598 HydrophobicContact CE2-CG1 4.11Å; F588-V598 HydrophobicContact CG-CG1 4.3Å; F588-V598 HydrophobicContact CG-CG2 4.24Å; F588-V598 HydrophobicContact CZ-CG1 3.95Å; F588-V598 HydrophobicContact CZ-CG2 4.37Å; T596-V598 HydrophobicContact CG2-CG2 4.39Å |
| 599 | V | 94.4 | Very high | 89.6 | Confident | 45 Ų | 45 | 78 Ų | 78 | 27% | 0.273 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 121.4 | 173.9 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | I587 Y589 V608 L610 | I587-V599 PolarHBondContact N-O 3.26Å; I587-V599 PolarHBondContact O-N 3.17Å; Y589-V599 HydrophobicContact CE1-CG2 4.05Å; V599-V608 HydrophobicContact CB-CG2 4.22Å; V599-V608 HydrophobicContact CG1-CG2 3.45Å; V599-V608 VanDerWaalsContact CG1-CG2 3.45Å; V599-L610 HydrophobicContact CG2-CD2 4.4Å |
| 600 | T | 93.4 | Very high | 89.5 | Confident | 84 Ų | 84 | 77.5 Ų | 77.5 | 52% | 0.515 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 130.7 | 169.1 | -52.6 | 0 | 0 | 0 | 0 | 109.6 | Y585 Q586 | Y585-T600 WeakPolarHBondContact O-CA 3.47Å; Q586-T600 HydrophobicContact CG-CG2 4.31Å |
| 601 | A | 91.6 | Very high | 89.3 | Confident | 8 Ų | 8 | 83 Ų | 83 | 7% | 0.066 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 154.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W570 Y585 I587 L603 V608 | W570-A601 HydrophobicContact CH2-CB 3.48Å; W570-A601 VanDerWaalsContact CH2-CB 3.48Å; W570-A601 HydrophobicContact CZ2-CB 3.85Å; Y585-A601 PolarHBondContact O-N 3.44Å; I587-A601 HydrophobicContact CD1-CB 3.99Å; A601-L603 PolarHBondContact O-N 2.9Å; A601-V608 HydrophobicContact CB-CB 4.16Å; A601-V608 HydrophobicContact CB-CG2 4.36Å |
| 602 | E | 89.7 | Confident | 89.1 | Confident | 115 Ų | 115 | 89.9 Ų | 89.9 | 54% | 0.537 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 122.5 | 174.5 | -59.6 | -176.8 | -109.7 | 0 | 0 | 110.7 | E604 K605 R606 | E602-E604 VanDerWaalsContact C-N 3.29Å; E602-E604 PolarHBondContact O-N 2.86Å; E602-K605 HydrophobicContact CB-CB 4.32Å; E602-K605 HydrophobicContact CB-CD 4.23Å; E602-K605 HydrophobicContact CB-CG 4.41Å; E602-K605 PolarHBondContact O-N 2.87Å; E602-K605 VanDerWaalsContact O-N 3.17Å; E602-K605 WeakPolarHBondContact OE1-CD 3.35Å; E602-K605 IonicContact OE1-NZ 2.67Å; E602-K605 PolarHBondContact OE1-NZ 2.86Å; E602-K605 VanDerWaalsContact OE2-CE 3.31Å; E602-K605 WeakPolarHBondContact OE2-CE 3.09Å; E602-K605 IonicContact OE2-NZ 3.41Å; E602-K605 PolarHBondContact OE2-NZ 2.87Å; E602-R606 PolarHBondContact O-N 2.79Å |
| 603 | L | 84.8 | Confident | 89.1 | Confident | 75 Ų | 75 | 82.9 Ų | 82.9 | 39% | 0.393 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -37.7 | -170.6 | -70.5 | 82.9 | 0 | 0 | 0 | 113.4 | V582 A601 | V582-L603 HydrophobicContact CG1-CD2 4.28Å; V582-L603 VanDerWaalsContact O-CD2 3.25Å; V582-L603 WeakPolarHBondContact O-CD2 3.43Å; A601-L603 PolarHBondContact O-N 2.9Å |
| 604 | E | 84.9 | Confident | 89.1 | Confident | 178 Ų | 178 | 80.3 Ų | 80.3 | 83% | 0.832 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -35.9 | -178.6 | -61.7 | -175.8 | 169.4 | 0 | 0 | 112.8 | E602 | E602-E604 VanDerWaalsContact C-N 3.29Å; E602-E604 PolarHBondContact O-N 2.86Å |
| 605 | K | 83.8 | Confident | 89 | Confident | 100 Ų | 100 | 85.5 Ų | 85.5 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -18.2 | -169.7 | -66.8 | 176.1 | -176.2 | 155.7 | 0 | 113.7 | E602 R607 | E602-K605 HydrophobicContact CB-CB 4.32Å; E602-K605 HydrophobicContact CB-CD 4.23Å; E602-K605 HydrophobicContact CB-CG 4.41Å; E602-K605 PolarHBondContact O-N 2.87Å; E602-K605 VanDerWaalsContact O-N 3.17Å; E602-K605 WeakPolarHBondContact OE1-CD 3.35Å; E602-K605 IonicContact OE1-NZ 2.67Å; E602-K605 PolarHBondContact OE1-NZ 2.86Å; E602-K605 VanDerWaalsContact OE2-CE 3.31Å; E602-K605 WeakPolarHBondContact OE2-CE 3.09Å; E602-K605 IonicContact OE2-NZ 3.41Å; E602-K605 PolarHBondContact OE2-NZ 2.87Å; K605-R607 HydrophobicContact CB-CG 4.3Å; K605-R607 WeakPolarHBondContact O-CG 3.3Å; K605-R607 PolarHBondContact O-N 2.78Å |
| 606 | R | 88.9 | Confident | 88.6 | Confident | 88 Ų | 88 | 84.8 Ų | 84.8 | 33% | 0.332 | 41% | 0.409 | S | S | . | . | trans | 50 | 28.7 | 173.4 | -54.7 | 176.1 | -168 | -175.4 | -3.8 | 114.7 | T569 W570 E572 E602 | T569-R606 WeakPolarHBondContact CA-O 3.42Å; T569-R606 PolarHBondContact OG1-O 2.9Å; W570-R606 PolarHBondContact N-O 2.78Å; E572-R606 IonicContact OE1-NH2 3.18Å; E572-R606 IonicContact OE2-CZ 3.71Å; E572-R606 IonicContact OE2-NH1 3.32Å; E572-R606 PolarHBondContact OE2-NH1 2.87Å; E572-R606 IonicContact OE2-NH2 2.84Å; E572-R606 PolarHBondContact OE2-NH2 2.81Å; E602-R606 PolarHBondContact O-N 2.79Å | ||
| 607 | R | 91.3 | Very high | 88.4 | Confident | 127 Ų | 127 | 82.6 Ų | 82.6 | 48% | 0.479 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 153.1 | -178.4 | 74.3 | -162.8 | -173.6 | -153.7 | 1.2 | 110 | E567 L568 K605 | E567-R607 WeakPolarHBondContact OE1-CD 3.3Å; L568-R607 CarbonylContact O-C 3.51Å; L568-R607 WeakPolarHBondContact O-CA 3.02Å; L568-R607 WeakPolarHBondContact O-CB 3.4Å; K605-R607 HydrophobicContact CB-CG 4.3Å; K605-R607 WeakPolarHBondContact O-CG 3.3Å; K605-R607 PolarHBondContact O-N 2.78Å |
| 608 | V | 93.7 | Very high | 88.2 | Confident | 11 Ų | 11 | 79.9 Ų | 79.9 | 7% | 0.067 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 148.8 | 175.4 | 73.9 | 0 | 0 | 0 | 0 | 109.8 | E567 L568 W570 I587 V599 A601 L610 | E567-V608 WeakPolarHBondContact CA-O 3.28Å; L568-V608 HydrophobicContact CB-CG1 4.04Å; L568-V608 HydrophobicContact CD1-CG1 4.35Å; L568-V608 PolarHBondContact N-O 2.89Å; L568-V608 PolarHBondContact O-N 3.03Å; W570-V608 HydrophobicContact CH2-CB 4.3Å; W570-V608 HydrophobicContact CZ3-CB 4.32Å; W570-V608 HydrophobicContact CZ3-CG1 4.11Å; I587-V608 HydrophobicContact CB-CG1 4.42Å; I587-V608 HydrophobicContact CD1-CB 4.24Å; I587-V608 HydrophobicContact CD1-CG1 3.79Å; I587-V608 HydrophobicContact CG1-CG1 3.85Å; V599-V608 HydrophobicContact CB-CG2 4.22Å; V599-V608 HydrophobicContact CG1-CG2 3.45Å; V599-V608 VanDerWaalsContact CG1-CG2 3.45Å; A601-V608 HydrophobicContact CB-CB 4.16Å; A601-V608 HydrophobicContact CB-CG2 4.36Å; V608-L610 HydrophobicContact CG1-CD2 4.31Å |
| 609 | V | 92.2 | Very high | 88.1 | Confident | 51 Ų | 51 | 76.8 Ų | 76.8 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 110.3 | 173 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | R565 I566 E567 R611 | R565-V609 HydrophobicContact CB-CG1 4.25Å; I566-V609 WeakPolarHBondContact O-CA 3.45Å; E567-V609 HydrophobicContact CB-CG2 4.26Å; E567-V609 HydrophobicContact CG-CG2 4.01Å; V609-R611 HydrophobicContact CG1-CG 4.11Å |
| 610 | L | 91.9 | Very high | 88 | Confident | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 139.7 | 167.4 | -53.5 | -170.6 | 0 | 0 | 0 | 108.5 | R565 I566 L568 I587 Y589 V599 V608 L613 L639 | R565-L610 WeakPolarHBondContact CA-O 3.44Å; R565-L610 WeakPolarHBondContact CB-O 3.34Å; I566-L610 PolarHBondContact N-O 2.92Å; I566-L610 VanDerWaalsContact N-O 3.1Å; I566-L610 PolarHBondContact O-N 2.89Å; L568-L610 HydrophobicContact CD1-CD1 3.8Å; L568-L610 HydrophobicContact CD1-CG 4.02Å; I587-L610 HydrophobicContact CG2-CD2 4.35Å; Y589-L610 HydrophobicContact CD1-CD1 4.05Å; Y589-L610 HydrophobicContact CD1-CD2 3.88Å; Y589-L610 HydrophobicContact CD2-CD1 4.06Å; Y589-L610 HydrophobicContact CE1-CD1 4.38Å; Y589-L610 HydrophobicContact CE1-CD2 3.69Å; Y589-L610 HydrophobicContact CE2-CD1 4.37Å; Y589-L610 HydrophobicContact CG-CD1 3.88Å; V599-L610 HydrophobicContact CG2-CD2 4.4Å; V608-L610 HydrophobicContact CG1-CD2 4.31Å; L610-L613 HydrophobicContact CB-CD1 4.06Å; L610-L613 HydrophobicContact CB-CD2 4.43Å; L610-L613 HydrophobicContact CB-CG 4.46Å; L610-L639 HydrophobicContact CD1-CD1 4.02Å |
| 611 | R | 89 | Confident | 88.1 | Confident | 169 Ų | 169 | 74.6 Ų | 74.6 | 64% | 0.638 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136 | 163.2 | -174.6 | -63.2 | -178.9 | 179.8 | -128.6 | -0.9 | 109.4 | V609 L613 | V609-R611 HydrophobicContact CG1-CG 4.11Å; R611-L613 PolarHBondContact O-N 2.91Å |
| 612 | E | 85.6 | Confident | 88.2 | Confident | 163 Ų | 163 | 75.8 Ų | 75.8 | 76% | 0.762 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 55.3 | 47.8 | 177.5 | -64.3 | 162 | -146.1 | 0 | 0 | 110.5 | S564 K597 | S564-E612 PolarHBondContact O-N 2.64Å; K597-E612 PolarHBondContact NZ-O 3.22Å |
| 613 | L | 86.6 | Confident | 88.5 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 141.5 | 170.1 | -58.1 | 175.9 | 0 | 0 | 0 | 109.2 | I566 Y589 L610 R611 Y619 T641 | I566-L613 HydrophobicContact CB-CD1 4.08Å; I566-L613 HydrophobicContact CD1-CD1 3.82Å; I566-L613 HydrophobicContact CG1-CD1 3.65Å; Y589-L613 HydrophobicContact CD2-CD2 4.03Å; Y589-L613 HydrophobicContact CE2-CD2 3.5Å; Y589-L613 VanDerWaalsContact CE2-CD2 3.5Å; L610-L613 HydrophobicContact CB-CD1 4.06Å; L610-L613 HydrophobicContact CB-CD2 4.43Å; L610-L613 HydrophobicContact CB-CG 4.46Å; R611-L613 PolarHBondContact O-N 2.91Å; L613-Y619 HydrophobicContact CB-CE2 3.94Å; L613-Y619 HydrophobicContact CD2-CD1 4.32Å; L613-Y619 HydrophobicContact CD2-CD2 4.27Å; L613-Y619 HydrophobicContact CD2-CE1 4.04Å; L613-Y619 HydrophobicContact CD2-CE2 3.96Å; L613-Y619 HydrophobicContact CD2-CG 4.45Å; L613-Y619 HydrophobicContact CG-CE2 4.43Å; L613-T641 HydrophobicContact CB-CG2 3.8Å; L613-T641 HydrophobicContact CD1-CG2 3.96Å |
| 614 | D | 83.9 | Confident | 88.9 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 151.8 | 174.4 | -60.1 | -72.9 | 0 | 0 | 0 | 110.7 | Y619 T641 | D614-Y619 WeakPolarHBondContact CB-OH 3.2Å; D614-Y619 PolarHBondContact N-OH 2.93Å; D614-Y619 PolarHBondContact OD2-OH 2.86Å; D614-T641 WeakPolarHBondContact O-CB 3.27Å; D614-T641 WeakPolarHBondContact O-CG2 3.25Å; D614-T641 PolarHBondContact O-OG1 2.82Å |
| 615 | R | 79.1 | Confident | 89.4 | Confident | 152 Ų | 152 | 59.8 Ų | 59.8 | 57% | 0.574 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 150.4 | -170.9 | -56.9 | 179.8 | -172.9 | 165.1 | 3.7 | 110.8 | S617 M644 | R615-S617 PolarHBondContact O-N 3.22Å; R615-S617 PolarHBondContact O-OG 2.89Å; R615-M644 PolarHBondContact NH1-SD 2.86Å |
| 616 | S | 80.7 | Confident | 89.9 | Confident | 83 Ų | 83 | 56 Ų | 56 | 58% | 0.58 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 26.6 | 178.8 | -48.6 | 0 | 0 | 0 | 0 | 114.8 | T641 P643 | S616-T641 WeakPolarHBondContact CA-O 3.4Å; S616-T641 PolarHBondContact N-OG1 2.95Å; S616-T641 VanDerWaalsContact N-OG1 3.1Å; S616-P643 WeakPolarHBondContact OG-CA 3.46Å |
| 617 | S | 85.3 | Confident | 90.1 | Very high | 40 Ų | 40 | 52 Ų | 52 | 28% | 0.28 | 25% | 0.248 | S | C | . | . | trans | -113.8 | 143.8 | -165.4 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | R615 K640 T641 | R615-S617 PolarHBondContact O-N 3.22Å; R615-S617 PolarHBondContact O-OG 2.89Å; S617-K640 WeakPolarHBondContact O-CA 3.37Å; S617-T641 PolarHBondContact N-OG1 2.94Å; S617-T641 PolarHBondContact O-N 2.87Å; S617-T641 VanDerWaalsContact O-N 3.1Å; S617-T641 PolarHBondContact O-OG1 2.79Å | ||
| 618 | S | 88.9 | Confident | 90 | Very high | 21 Ų | 21 | 48.2 Ų | 48.2 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.8 | 178.2 | -157.5 | 0 | 0 | 0 | 0 | 110.3 | E592 T638 K640 | E592-S618 VanDerWaalsContact OE1-CB 3.29Å; E592-S618 WeakPolarHBondContact OE1-CB 3.34Å; S618-T638 WeakPolarHBondContact OG-CG2 3.25Å; S618-K640 WeakPolarHBondContact OG-CE 3.21Å |
| 619 | Y | 91 | Very high | 89.7 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 144.6 | 174.1 | -70.3 | -88.1 | 0 | 0 | 0 | 109.7 | Y589 W590 D591 L613 D614 L639 T641 | Y589-Y619 HydrophobicContact CD2-CD1 4.15Å; W590-Y619 CarbonylContact O-C 3.53Å; W590-Y619 VanDerWaalsContact O-CA 3.27Å; W590-Y619 WeakPolarHBondContact O-CA 3.37Å; W590-Y619 WeakPolarHBondContact O-CD1 3.19Å; D591-Y619 HydrophobicContact CB-CD1 4.07Å; D591-Y619 HydrophobicContact CB-CE1 3.7Å; L613-Y619 HydrophobicContact CB-CE2 3.94Å; L613-Y619 HydrophobicContact CD2-CD1 4.32Å; L613-Y619 HydrophobicContact CD2-CD2 4.27Å; L613-Y619 HydrophobicContact CD2-CE1 4.04Å; L613-Y619 HydrophobicContact CD2-CE2 3.96Å; L613-Y619 HydrophobicContact CD2-CG 4.45Å; L613-Y619 HydrophobicContact CG-CE2 4.43Å; D614-Y619 WeakPolarHBondContact CB-OH 3.2Å; D614-Y619 PolarHBondContact N-OH 2.93Å; D614-Y619 PolarHBondContact OD2-OH 2.86Å; Y619-L639 PolarHBondContact N-O 3.45Å; Y619-L639 PolarHBondContact O-N 3.37Å; Y619-L639 VanDerWaalsContact O-O 3.11Å; Y619-T641 HydrophobicContact CE2-CG2 4.34Å |
| 620 | K | 92.7 | Very high | 89.8 | Confident | 83 Ų | 83 | 48.6 Ų | 48.6 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 142.6 | 166.2 | -73.8 | 162.7 | 157.3 | -80.8 | 0 | 108.2 | Y589 W590 E636 | Y589-K620 CarbonylContact C-O 3.52Å; Y589-K620 WeakPolarHBondContact CA-O 3.39Å; Y589-K620 WeakPolarHBondContact CB-O 3.49Å; W590-K620 HydrophobicContact CD2-CB 3.97Å; W590-K620 VanDerWaalsContact CE2-CB 3.45Å; W590-K620 HydrophobicContact CE3-CB 4.47Å; W590-K620 HydrophobicContact CH2-CB 4.04Å; W590-K620 HydrophobicContact CZ2-CB 3.51Å; W590-K620 HydrophobicContact CZ2-CD 4.02Å; W590-K620 HydrophobicContact CZ2-CG 4.38Å; W590-K620 HydrophobicContact CZ3-CB 4.49Å; W590-K620 PolarHBondContact N-O 2.87Å; W590-K620 PolarHBondContact O-N 3.35Å; K620-E636 HydrophobicContact CB-CG 4.21Å; K620-E636 WeakPolarHBondContact CG-OE1 3.31Å; K620-E636 IonicContact NZ-OE1 3.5Å; K620-E636 PolarHBondContact NZ-OE1 2.99Å; K620-E636 IonicContact NZ-OE2 3.56Å; K620-E636 PolarHBondContact NZ-OE2 3.11Å |
| 621 | A | 94 | Very high | 89.9 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 150.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F588 E636 V637 L639 | F588-A621 CarbonylContact O-C 3.46Å; F588-A621 WeakPolarHBondContact O-CA 3.48Å; A621-E636 CarbonylContact O-C 3.55Å; A621-E636 WeakPolarHBondContact O-CA 3.24Å; A621-V637 HydrophobicContact CB-CG2 4.26Å; A621-V637 PolarHBondContact N-O 3.47Å; A621-V637 PolarHBondContact O-N 3.25Å; A621-L639 HydrophobicContact CB-CD1 3.8Å; A621-L639 HydrophobicContact CB-CG 4.42Å |
| 622 | F | 94.6 | Very high | 90.2 | Very high | 33 Ų | 33 | 46 Ų | 46 | 15% | 0.145 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 160.7 | 164.3 | 67 | -94.9 | 0 | 0 | 0 | 110.8 | I587 F588 W590 M624 N633 | I587-F622 WeakPolarHBondContact CA-O 3.41Å; F588-F622 HydrophobicContact CB-CD1 4.3Å; F588-F622 HydrophobicContact CB-CD2 4.46Å; F588-F622 HydrophobicContact CB-CE1 3.83Å; F588-F622 HydrophobicContact CB-CE2 4.01Å; F588-F622 HydrophobicContact CB-CZ 3.66Å; F588-F622 HydrophobicContact CD1-CZ 4.38Å; F588-F622 HydrophobicContact CD2-CD2 4.44Å; F588-F622 AromaticContact CD2-CE2 3.7Å; F588-F622 HydrophobicContact CD2-CE2 3.7Å; F588-F622 AromaticContact CD2-CZ 3.98Å; F588-F622 HydrophobicContact CD2-CZ 3.98Å; F588-F622 HydrophobicContact CE2-CE2 4.46Å; F588-F622 HydrophobicContact CG-CE1 4.41Å; F588-F622 AromaticContact CG-CE2 3.96Å; F588-F622 HydrophobicContact CG-CE2 3.96Å; F588-F622 AromaticContact CG-CZ 3.75Å; F588-F622 HydrophobicContact CG-CZ 3.75Å; F588-F622 PolarHBondContact N-O 2.85Å; F588-F622 PolarHBondContact O-N 2.79Å; W590-F622 AromaticContact CH2-CD1 3.73Å; W590-F622 HydrophobicContact CH2-CD1 3.73Å; W590-F622 AromaticContact CH2-CE1 3.97Å; W590-F622 HydrophobicContact CH2-CE1 3.97Å; W590-F622 AromaticContact CZ3-CD1 3.56Å; W590-F622 HydrophobicContact CZ3-CD1 3.56Å; W590-F622 AromaticContact CZ3-CE1 3.66Å; W590-F622 HydrophobicContact CZ3-CE1 3.66Å; F622-M624 HydrophobicContact CE2-CB 4.34Å; F622-N633 HydrophobicContact CD2-CB 3.93Å; F622-N633 HydrophobicContact CE2-CB 3.93Å; F622-N633 VanDerWaalsContact CE2-CG 3.41Å |
| 623 | I | 94.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.1 | 173.6 | -174.4 | 162.3 | 0 | 0 | 0 | 110.1 | P554 L556 W570 Y585 I587 G634 | P554-I623 HydrophobicContact CG-CD1 4.16Å; P554-I623 HydrophobicContact CG-CG2 4.34Å; P554-I623 VanDerWaalsContact O-CG2 3.25Å; P554-I623 WeakPolarHBondContact O-CG2 3.15Å; L556-I623 HydrophobicContact CB-CG2 4.12Å; L556-I623 HydrophobicContact CD1-CB 4.39Å; L556-I623 HydrophobicContact CD1-CD1 4.42Å; L556-I623 HydrophobicContact CD2-CB 4.29Å; W570-I623 HydrophobicContact CD2-CD1 3.51Å; W570-I623 HydrophobicContact CE3-CD1 3.86Å; W570-I623 HydrophobicContact CG-CD1 3.91Å; W570-I623 HydrophobicContact CH2-CD1 4.34Å; W570-I623 HydrophobicContact CZ2-CD1 4Å; W570-I623 HydrophobicContact CZ3-CD1 4.27Å; Y585-I623 HydrophobicContact CD1-CD1 3.97Å; Y585-I623 HydrophobicContact CD1-CG1 4.39Å; Y585-I623 HydrophobicContact CG-CD1 4.34Å; I587-I623 HydrophobicContact CD1-CD1 4.18Å; I587-I623 HydrophobicContact CD1-CG1 4.36Å; I587-I623 HydrophobicContact CG1-CB 4.41Å; I587-I623 HydrophobicContact CG1-CD1 4.37Å; I587-I623 HydrophobicContact CG1-CG1 4.31Å; I623-G634 PolarHBondContact O-N 2.69Å |
| 624 | M | 94.4 | Very high | 90.9 | Very high | 32 Ų | 32 | 42.7 Ų | 42.7 | 16% | 0.158 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 132.4 | 165.9 | -174.4 | -170.9 | -69 | 0 | 0 | 108.6 | Y585 Q586 F588 F622 L632 N633 | Y585-M624 WeakPolarHBondContact CA-O 3.32Å; Q586-M624 HydrophobicContact CB-CB 4.46Å; Q586-M624 PolarHBondContact N-O 2.82Å; Q586-M624 PolarHBondContact O-N 2.95Å; F588-M624 HydrophobicContact CD2-CB 4.12Å; F588-M624 HydrophobicContact CE2-CB 3.77Å; F588-M624 HydrophobicContact CE2-CE 3.66Å; F588-M624 HydrophobicContact CE2-SD 4.06Å; F588-M624 HydrophobicContact CZ-CE 3.8Å; F588-M624 HydrophobicContact CZ-SD 4.41Å; F622-M624 HydrophobicContact CE2-CB 4.34Å; M624-L632 WeakPolarHBondContact CA-O 3.49Å; M624-N633 WeakPolarHBondContact CE-OD1 3.47Å; M624-N633 WeakPolarHBondContact CG-OD1 3.33Å |
| 625 | V | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.4 | 169.8 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | P550 A553 I573 V582 Y585 S631 L632 | P550-V625 HydrophobicContact CB-CG1 4.23Å; P550-V625 HydrophobicContact CG-CG1 3.86Å; P550-V625 HydrophobicContact CG-CG2 4.16Å; A553-V625 HydrophobicContact CB-CG1 3.98Å; I573-V625 HydrophobicContact CD1-CB 4.27Å; I573-V625 HydrophobicContact CD1-CG1 4Å; I573-V625 HydrophobicContact CD1-CG2 3.78Å; V582-V625 HydrophobicContact CG1-CG2 3.81Å; V582-V625 HydrophobicContact CG2-CG2 4.14Å; Y585-V625 HydrophobicContact CD1-CB 3.95Å; Y585-V625 HydrophobicContact CD1-CG2 3.94Å; Y585-V625 HydrophobicContact CE1-CB 3.99Å; Y585-V625 HydrophobicContact CE1-CG2 3.63Å; V625-S631 CarbonylContact O-C 3.54Å; V625-S631 WeakPolarHBondContact O-CA 3.33Å; V625-S631 VanDerWaalsContact O-CB 3.32Å; V625-S631 WeakPolarHBondContact O-CB 3.35Å; V625-L632 HydrophobicContact CG1-CB 4.47Å; V625-L632 PolarHBondContact N-O 3.12Å; V625-L632 PolarHBondContact O-N 2.92Å |
| 626 | S | 93.8 | Very high | 92 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138.4 | -179 | -58 | 0 | 0 | 0 | 0 | 111.6 | Q583 S584 S631 | Q583-S626 PolarHBondContact N-O 3.29Å; S584-S626 PolarHBondContact N-O 2.74Å; S584-S626 PolarHBondContact O-N 3.22Å; S584-S626 WeakPolarHBondContact OG-CB 3.42Å; S626-S631 WeakPolarHBondContact OG-CB 3.37Å |
| 627 | T | 93.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 174.6 | 166.7 | 67.7 | 0 | 0 | 0 | 0 | 109.8 | K548 P550 I581 G629 G630 | K548-T627 PolarHBondContact O-OG1 3.45Å; P550-T627 HydrophobicContact CG-CG2 3.74Å; I581-T627 VanDerWaalsContact O-CA 3.3Å; I581-T627 WeakPolarHBondContact O-CA 3.43Å; I581-T627 WeakPolarHBondContact O-CB 3.48Å; T627-G629 PolarHBondContact O-N 3.09Å; T627-G629 PolarHBondContact OG1-N 3.45Å; T627-G630 PolarHBondContact N-O 3.38Å; T627-G630 PolarHBondContact O-N 3.15Å; T627-G630 VanDerWaalsContact O-N 3.17Å; T627-G630 PolarHBondContact OG1-O 3.17Å |
| 628 | G | 89 | Confident | 92.8 | Very high | 46 Ų | 46 | 39.5 Ų | 39.5 | 47% | 0.474 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -0.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 629 | G | 87.3 | Confident | 92.9 | Very high | 34 Ų | 34 | 38.7 Ų | 38.7 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 16.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K548 A549 T627 | K548-G629 CarbonylContact C-O 3.59Å; K548-G629 WeakPolarHBondContact CA-O 3.42Å; A549-G629 VanDerWaalsContact N-C 3.35Å; A549-G629 PolarHBondContact N-O 2.74Å; T627-G629 PolarHBondContact O-N 3.09Å; T627-G629 PolarHBondContact OG1-N 3.45Å |
| 630 | G | 93.4 | Very high | 92.7 | Very high | 36 Ų | 36 | 44.9 Ų | 44.9 | 37% | 0.371 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.7 | -176.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | T627 | T627-G630 PolarHBondContact N-O 3.38Å; T627-G630 PolarHBondContact O-N 3.15Å; T627-G630 VanDerWaalsContact O-N 3.17Å; T627-G630 PolarHBondContact OG1-O 3.17Å |
| 631 | S | 94.9 | Very high | 92.4 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 160.9 | -176.9 | 62 | 0 | 0 | 0 | 0 | 113.6 | A549 V625 S626 | A549-S631 WeakPolarHBondContact CB-O 3.32Å; V625-S631 CarbonylContact O-C 3.54Å; V625-S631 WeakPolarHBondContact O-CA 3.33Å; V625-S631 VanDerWaalsContact O-CB 3.32Å; V625-S631 WeakPolarHBondContact O-CB 3.35Å; S626-S631 WeakPolarHBondContact OG-CB 3.37Å |
| 632 | L | 95.3 | Very high | 91.6 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 30% | 0.304 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.4 | 173.8 | 179.6 | 65.7 | 0 | 0 | 0 | 110 | P550 A553 M624 V625 | P550-L632 VanDerWaalsContact O-CD2 3.32Å; P550-L632 WeakPolarHBondContact O-CD2 3.4Å; A553-L632 HydrophobicContact CB-CD2 4.33Å; A553-L632 HydrophobicContact CB-CG 4.41Å; M624-L632 WeakPolarHBondContact CA-O 3.49Å; V625-L632 HydrophobicContact CG1-CB 4.47Å; V625-L632 PolarHBondContact N-O 3.12Å; V625-L632 PolarHBondContact O-N 2.92Å |
| 633 | N | 94.8 | Very high | 90.4 | Very high | 83 Ų | 83 | 48.1 Ų | 48.1 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 135.6 | 171.8 | -64.7 | -6.9 | 0 | 0 | 0 | 110.4 | F622 M624 | F622-N633 HydrophobicContact CD2-CB 3.93Å; F622-N633 HydrophobicContact CE2-CB 3.93Å; F622-N633 VanDerWaalsContact CE2-CG 3.41Å; M624-N633 WeakPolarHBondContact CE-OD1 3.47Å; M624-N633 WeakPolarHBondContact CG-OD1 3.33Å |
| 634 | G | 92.2 | Very high | 88.7 | Confident | 19 Ų | 19 | 51.4 Ų | 51.4 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | trans | -84 | -178.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A553 I623 | A553-G634 VanDerWaalsContact CB-CA 3.43Å; I623-G634 PolarHBondContact O-N 2.69Å | ||
| 635 | S | 92.4 | Very high | 87.4 | Confident | 85 Ų | 85 | 53.6 Ų | 53.6 | 59% | 0.594 | 33% | 0.327 | S | S | * | . | trans | -59 | 143.9 | 178.6 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 636 | E | 92.6 | Very high | 86 | Confident | 93 Ų | 93 | 59.4 Ų | 59.4 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | trans | -73.9 | 131.2 | 170.9 | -162.4 | -155.6 | 88.3 | 0 | 0 | 110.1 | W590 K620 A621 | W590-E636 HydrophobicContact CH2-CG 4.04Å; W590-E636 HydrophobicContact CZ2-CG 4.32Å; W590-E636 WeakPolarHBondContact CZ2-OE2 3.4Å; K620-E636 HydrophobicContact CB-CG 4.21Å; K620-E636 WeakPolarHBondContact CG-OE1 3.31Å; K620-E636 IonicContact NZ-OE1 3.5Å; K620-E636 PolarHBondContact NZ-OE1 2.99Å; K620-E636 IonicContact NZ-OE2 3.56Å; K620-E636 PolarHBondContact NZ-OE2 3.11Å; A621-E636 CarbonylContact O-C 3.55Å; A621-E636 WeakPolarHBondContact O-CA 3.24Å | ||
| 637 | V | 92.2 | Very high | 84.6 | Confident | 36 Ų | 36 | 63.4 Ų | 63.4 | 22% | 0.218 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 141.2 | 172.1 | -60.9 | 0 | 0 | 0 | 0 | 110.1 | L556 A621 L639 | L556-V637 HydrophobicContact CB-CG2 4.46Å; L556-V637 HydrophobicContact CD2-CG2 3.93Å; L556-V637 HydrophobicContact CG-CG2 4.31Å; A621-V637 HydrophobicContact CB-CG2 4.26Å; A621-V637 PolarHBondContact N-O 3.47Å; A621-V637 PolarHBondContact O-N 3.25Å; V637-L639 HydrophobicContact CG2-CD2 4.04Å; V637-L639 HydrophobicContact CG2-CG 4.37Å |
| 638 | T | 91.9 | Very high | 83.2 | Confident | 83 Ų | 83 | 64.4 Ų | 64.4 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.3 | 173.1 | -57.5 | 0 | 0 | 0 | 0 | 109.6 | S618 | S618-T638 WeakPolarHBondContact OG-CG2 3.25Å |
| 639 | L | 90 | Very high | 82.3 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.016 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 140.8 | 179.1 | -52.7 | 178 | 0 | 0 | 0 | 108.1 | V558 I566 L568 L610 Y619 A621 V637 | V558-L639 HydrophobicContact CG2-CD2 3.47Å; V558-L639 VanDerWaalsContact CG2-CD2 3.47Å; I566-L639 HydrophobicContact CD1-CB 3.88Å; L568-L639 HydrophobicContact CD1-CD1 4.02Å; L568-L639 HydrophobicContact CD2-CD1 4.08Å; L568-L639 HydrophobicContact CD2-CD2 3.85Å; L610-L639 HydrophobicContact CD1-CD1 4.02Å; Y619-L639 PolarHBondContact N-O 3.45Å; Y619-L639 PolarHBondContact O-N 3.37Å; Y619-L639 VanDerWaalsContact O-O 3.11Å; A621-L639 HydrophobicContact CB-CD1 3.8Å; A621-L639 HydrophobicContact CB-CG 4.42Å; V637-L639 HydrophobicContact CG2-CD2 4.04Å; V637-L639 HydrophobicContact CG2-CG 4.37Å |
| 640 | K | 87.3 | Confident | 81.7 | Confident | 135 Ų | 135 | 69 Ų | 69 | 59% | 0.587 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130.6 | 176.5 | -65.5 | -171.4 | 175.3 | -170.8 | 0 | 109.3 | I561 S617 S618 | I561-K640 WeakPolarHBondContact CG2-O 3.46Å; S617-K640 WeakPolarHBondContact O-CA 3.37Å; S618-K640 WeakPolarHBondContact OG-CE 3.21Å |
| 641 | T | 85.6 | Confident | 80.8 | Confident | 7 Ų | 7 | 72.3 Ų | 72.3 | 4% | 0.043 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 145.4 | 174.5 | 50.7 | 0 | 0 | 0 | 0 | 110.8 | I566 L613 D614 S616 S617 Y619 | I566-T641 HydrophobicContact CD1-CG2 4.11Å; I566-T641 HydrophobicContact CG1-CG2 4.49Å; L613-T641 HydrophobicContact CB-CG2 3.8Å; L613-T641 HydrophobicContact CD1-CG2 3.96Å; D614-T641 WeakPolarHBondContact O-CB 3.27Å; D614-T641 WeakPolarHBondContact O-CG2 3.25Å; D614-T641 PolarHBondContact O-OG1 2.82Å; S616-T641 WeakPolarHBondContact CA-O 3.4Å; S616-T641 PolarHBondContact N-OG1 2.95Å; S616-T641 VanDerWaalsContact N-OG1 3.1Å; S617-T641 PolarHBondContact N-OG1 2.94Å; S617-T641 PolarHBondContact O-N 2.87Å; S617-T641 VanDerWaalsContact O-N 3.1Å; S617-T641 PolarHBondContact O-OG1 2.79Å; Y619-T641 HydrophobicContact CE2-CG2 4.34Å |
| 642 | E | 78.6 | Confident | 80 | Confident | 86 Ų | 86 | 75 Ų | 75 | 40% | 0.402 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 149.2 | 179.8 | -73.1 | 173.2 | 154.7 | 0 | 0 | 112.1 | I561 | I561-E642 HydrophobicContact CG2-CG 3.96Š|
| 643 | P | 69.1 | Low | 79.3 | Confident | 90 Ų | 90 | 76.7 Ų | 76.7 | 58% | 0.584 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 157.2 | 166.8 | 31.9 | -35.6 | 0 | 0 | 0 | 110.6 | H563 S616 D645 | H563-P643 PolarHBondContact CD2-O 3.31Å; H563-P643 PolarHBondContact NE2-O 3.48Å; H563-P643 VanDerWaalsContact NE2-O 3.15Å; S616-P643 WeakPolarHBondContact OG-CA 3.46Å; P643-D645 PolarHBondContact O-N 2.89Å |
| 644 | M | 59 | Low | 78.8 | Confident | 71 Ų | 71 | 77.4 Ų | 77.4 | 35% | 0.35 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 125.3 | 179.4 | -80.1 | -71.4 | -59.5 | 0 | 0 | 111.9 | R615 D646 A648 I649 | R615-M644 PolarHBondContact NH1-SD 2.86Å; M644-D646 PolarHBondContact O-N 3.44Å; M644-A648 HydrophobicContact CE-CB 4.09Å; M644-I649 HydrophobicContact CB-CD1 4.44Å; M644-I649 HydrophobicContact CB-CG1 4.48Å |
| 645 | D | 66.4 | Low | 78.3 | Confident | 77 Ų | 77 | 80.6 Ų | 80.6 | 41% | 0.412 | 44% | 0.442 | S | S | . | . | trans | -29.3 | 117.2 | 171.5 | -171.4 | -13.7 | 0 | 0 | 0 | 112.2 | H563 P643 L647 A648 I649 | H563-D645 PolarHBondContact NE2-N 3.43Å; P643-D645 PolarHBondContact O-N 2.89Å; D645-L647 PolarHBondContact O-N 2.84Å; D645-L647 VanDerWaalsContact O-N 3.09Å; D645-L647 WeakPolarHBondContact OD1-CB 3.5Å; D645-L647 PolarHBondContact OD1-N 3.3Å; D645-A648 HydrophobicContact CB-CB 4.21Å; D645-A648 WeakPolarHBondContact O-CA 3.31Å; D645-A648 WeakPolarHBondContact O-CB 3.25Å; D645-A648 PolarHBondContact O-N 2.89Å; D645-I649 PolarHBondContact O-N 2.88Å | ||
| 646 | D | 66.1 | Low | 77.9 | Confident | 123 Ų | 123 | 79.7 Ų | 79.7 | 66% | 0.658 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -53.6 | -33 | 179 | -73.5 | -48.3 | 0 | 0 | 0 | 111 | M644 A648 I649 I650 | M644-D646 PolarHBondContact O-N 3.44Å; D646-A648 VanDerWaalsContact C-N 3.32Å; D646-A648 PolarHBondContact O-N 2.77Å; D646-I649 PolarHBondContact O-N 3.02Å; D646-I650 VanDerWaalsContact O-CB 3.32Å; D646-I650 WeakPolarHBondContact O-CB 3.49Å; D646-I650 WeakPolarHBondContact O-CD1 3.38Å; D646-I650 WeakPolarHBondContact O-CG1 3.31Å; D646-I650 PolarHBondContact O-N 2.92Å |
| 647 | L | 63.8 | Low | 77.6 | Confident | 103 Ų | 103 | 76.7 Ų | 76.7 | 54% | 0.539 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 175.8 | -171 | 65.4 | 0 | 0 | 0 | 112.1 | D645 L651 | D645-L647 PolarHBondContact O-N 2.84Å; D645-L647 VanDerWaalsContact O-N 3.09Å; D645-L647 WeakPolarHBondContact OD1-CB 3.5Å; D645-L647 PolarHBondContact OD1-N 3.3Å; L647-L651 HydrophobicContact CG-CD1 4.26Å; L647-L651 VanDerWaalsContact O-CB 3.32Å; L647-L651 WeakPolarHBondContact O-CB 3.38Å; L647-L651 WeakPolarHBondContact O-CD1 3.37Å; L647-L651 WeakPolarHBondContact O-CG 3.17Å; L647-L651 PolarHBondContact O-N 2.9Å |
| 648 | A | 66.4 | Low | 77.4 | Confident | 27 Ų | 27 | 78.7 Ų | 78.7 | 22% | 0.223 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -71.1 | -37.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M644 D645 D646 L651 I652 | M644-A648 HydrophobicContact CE-CB 4.09Å; D645-A648 HydrophobicContact CB-CB 4.21Å; D645-A648 WeakPolarHBondContact O-CA 3.31Å; D645-A648 WeakPolarHBondContact O-CB 3.25Å; D645-A648 PolarHBondContact O-N 2.89Å; D646-A648 VanDerWaalsContact C-N 3.32Å; D646-A648 PolarHBondContact O-N 2.77Å; A648-L651 PolarHBondContact O-N 2.68Å; A648-I652 WeakPolarHBondContact O-CG1 3.31Å; A648-I652 PolarHBondContact O-N 2.83Å; A648-I652 VanDerWaalsContact O-N 3.14Å |
| 649 | I | 68.6 | Low | 77.1 | Confident | 86 Ų | 86 | 76.2 Ų | 76.2 | 44% | 0.441 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.4 | -47.5 | 173.3 | -59.5 | 176.7 | 0 | 0 | 0 | 109.6 | M644 D645 D646 L651 I652 V653 | M644-I649 HydrophobicContact CB-CD1 4.44Å; M644-I649 HydrophobicContact CB-CG1 4.48Å; D645-I649 PolarHBondContact O-N 2.88Å; D646-I649 PolarHBondContact O-N 3.02Å; I649-L651 VanDerWaalsContact C-N 3.33Å; I649-L651 PolarHBondContact O-N 3.16Å; I649-I652 PolarHBondContact O-N 2.85Å; I649-I652 VanDerWaalsContact O-N 3.16Å; I649-V653 WeakPolarHBondContact O-CG2 3.35Å; I649-V653 PolarHBondContact O-N 3.35Å |
| 650 | I | 74.2 | Confident | 76.9 | Confident | 91 Ų | 91 | 81.2 Ų | 81.2 | 47% | 0.467 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.5 | -42.6 | 175.7 | -72 | 164.1 | 0 | 0 | 0 | 111.1 | D646 I652 V653 I654 | D646-I650 VanDerWaalsContact O-CB 3.32Å; D646-I650 WeakPolarHBondContact O-CB 3.49Å; D646-I650 WeakPolarHBondContact O-CD1 3.38Å; D646-I650 WeakPolarHBondContact O-CG1 3.31Å; D646-I650 PolarHBondContact O-N 2.92Å; I650-I652 VanDerWaalsContact C-N 3.35Å; I650-I652 PolarHBondContact O-N 2.99Å; I650-V653 PolarHBondContact O-N 2.96Å; I650-I654 HydrophobicContact CG2-CD1 3.59Å; I650-I654 HydrophobicContact CG2-CG1 4.25Å; I650-I654 WeakPolarHBondContact O-CB 3.38Å; I650-I654 VanDerWaalsContact O-CG1 3.3Å; I650-I654 WeakPolarHBondContact O-CG1 3.41Å; I650-I654 PolarHBondContact O-N 3.14Å |
| 651 | L | 76.3 | Confident | 76.8 | Confident | 104 Ų | 104 | 77.8 Ų | 77.8 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 176.6 | -79.7 | 165.1 | 0 | 0 | 0 | 112.8 | L647 A648 I649 S655 | L647-L651 HydrophobicContact CG-CD1 4.26Å; L647-L651 VanDerWaalsContact O-CB 3.32Å; L647-L651 WeakPolarHBondContact O-CB 3.38Å; L647-L651 WeakPolarHBondContact O-CD1 3.37Å; L647-L651 WeakPolarHBondContact O-CG 3.17Å; L647-L651 PolarHBondContact O-N 2.9Å; A648-L651 PolarHBondContact O-N 2.68Å; I649-L651 VanDerWaalsContact C-N 3.33Å; I649-L651 PolarHBondContact O-N 3.16Å; L651-S655 WeakPolarHBondContact O-CB 3.41Å; L651-S655 PolarHBondContact O-N 3.31Å |
| 652 | I | 77.1 | Confident | 76.8 | Confident | 116 Ų | 116 | 81.9 Ų | 81.9 | 60% | 0.595 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -68.5 | -40.5 | 174.5 | -67.8 | 165.3 | 0 | 0 | 0 | 110.9 | A648 I649 I650 S655 S656 | A648-I652 WeakPolarHBondContact O-CG1 3.31Å; A648-I652 PolarHBondContact O-N 2.83Å; A648-I652 VanDerWaalsContact O-N 3.14Å; I649-I652 PolarHBondContact O-N 2.85Å; I649-I652 VanDerWaalsContact O-N 3.16Å; I650-I652 VanDerWaalsContact C-N 3.35Å; I650-I652 PolarHBondContact O-N 2.99Å; I652-S655 PolarHBondContact O-N 2.87Å; I652-S656 WeakPolarHBondContact O-CB 3.4Å; I652-S656 PolarHBondContact O-N 2.83Å; I652-S656 PolarHBondContact O-OG 3.02Å |
| 653 | V | 81.4 | Confident | 77.1 | Confident | 93 Ų | 93 | 83.3 Ų | 83.3 | 56% | 0.564 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66 | -43.1 | 176 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | I649 I650 S656 G657 | I649-V653 WeakPolarHBondContact O-CG2 3.35Å; I649-V653 PolarHBondContact O-N 3.35Å; I650-V653 PolarHBondContact O-N 2.96Å; V653-S656 PolarHBondContact O-OG 2.87Å; V653-S656 VanDerWaalsContact O-OG 3.09Å; V653-G657 PolarHBondContact O-N 2.96Å |
| 654 | I | 84.3 | Confident | 77.9 | Confident | 98 Ų | 98 | 83.7 Ų | 83.7 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 175.6 | -69.1 | 170.3 | 0 | 0 | 0 | 110.6 | I650 S656 G657 V658 | I650-I654 HydrophobicContact CG2-CD1 3.59Å; I650-I654 HydrophobicContact CG2-CG1 4.25Å; I650-I654 WeakPolarHBondContact O-CB 3.38Å; I650-I654 VanDerWaalsContact O-CG1 3.3Å; I650-I654 WeakPolarHBondContact O-CG1 3.41Å; I650-I654 PolarHBondContact O-N 3.14Å; I654-S656 PolarHBondContact O-N 2.94Å; I654-G657 PolarHBondContact O-N 2.88Å; I654-V658 HydrophobicContact CG2-CG2 4.3Å; I654-V658 WeakPolarHBondContact O-CB 3.28Å; I654-V658 WeakPolarHBondContact O-CG2 3.48Å; I654-V658 PolarHBondContact O-N 2.81Å |
| 655 | S | 81.8 | Confident | 79.1 | Confident | 85 Ų | 85 | 84.8 Ų | 84.8 | 59% | 0.594 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.7 | -46.4 | 179.3 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | L651 I652 V658 G659 | L651-S655 WeakPolarHBondContact O-CB 3.41Å; L651-S655 PolarHBondContact O-N 3.31Å; I652-S655 PolarHBondContact O-N 2.87Å; S655-V658 PolarHBondContact O-N 2.91Å; S655-G659 PolarHBondContact O-N 2.73Å |
| 656 | S | 83.3 | Confident | 79.8 | Confident | 66 Ų | 66 | 85.7 Ų | 85.7 | 46% | 0.462 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.1 | -38 | 175.8 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | I652 V653 I654 G659 L660 | I652-S656 WeakPolarHBondContact O-CB 3.4Å; I652-S656 PolarHBondContact O-N 2.83Å; I652-S656 PolarHBondContact O-OG 3.02Å; V653-S656 PolarHBondContact O-OG 2.87Å; V653-S656 VanDerWaalsContact O-OG 3.09Å; I654-S656 PolarHBondContact O-N 2.94Å; S656-G659 PolarHBondContact O-N 2.86Å; S656-L660 WeakPolarHBondContact O-CB 3.36Å; S656-L660 PolarHBondContact O-N 2.92Å |
| 657 | G | 85.6 | Confident | 80.4 | Confident | 30 Ų | 30 | 83.1 Ų | 83.1 | 31% | 0.309 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V653 I654 S661 | V653-G657 PolarHBondContact O-N 2.96Å; I654-G657 PolarHBondContact O-N 2.88Å; G657-S661 WeakPolarHBondContact O-CB 3.4Å; G657-S661 PolarHBondContact O-N 3.33Å; G657-S661 PolarHBondContact O-OG 3.34Å |
| 658 | V | 88.3 | Confident | 81.2 | Confident | 79 Ų | 79 | 81.4 Ų | 81.4 | 48% | 0.479 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 173.8 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | I654 S655 S661 L662 | I654-V658 HydrophobicContact CG2-CG2 4.3Å; I654-V658 WeakPolarHBondContact O-CB 3.28Å; I654-V658 WeakPolarHBondContact O-CG2 3.48Å; I654-V658 PolarHBondContact O-N 2.81Å; S655-V658 PolarHBondContact O-N 2.91Å; V658-S661 PolarHBondContact O-N 3.12Å; V658-L662 HydrophobicContact CG1-CD1 4.06Å; V658-L662 HydrophobicContact CG1-CG 4.5Å; V658-L662 WeakPolarHBondContact O-CB 3.33Å; V658-L662 WeakPolarHBondContact O-CG 3.39Å; V658-L662 PolarHBondContact O-N 2.84Å |
| 659 | G | 85.2 | Confident | 81.8 | Confident | 30 Ų | 30 | 85.3 Ų | 85.3 | 31% | 0.309 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | S655 S656 L662 L663 | S655-G659 PolarHBondContact O-N 2.73Å; S656-G659 PolarHBondContact O-N 2.86Å; G659-L662 PolarHBondContact O-N 3.29Å; G659-L663 WeakPolarHBondContact O-CG 3.32Å; G659-L663 PolarHBondContact O-N 3.32Å |
| 660 | L | 86.9 | Confident | 82.2 | Confident | 108 Ų | 108 | 85.2 Ų | 85.2 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.3 | -43.4 | 172.8 | -96.7 | 153.2 | 0 | 0 | 0 | 112.2 | S656 L662 L663 I664 | S656-L660 WeakPolarHBondContact O-CB 3.36Å; S656-L660 PolarHBondContact O-N 2.92Å; L660-L662 PolarHBondContact O-N 3.26Å; L660-L663 PolarHBondContact O-N 3.4Å; L660-I664 VanDerWaalsContact O-CG1 3.31Å; L660-I664 WeakPolarHBondContact O-CG1 3.39Å; L660-I664 PolarHBondContact O-N 3.39Å |
| 661 | S | 84.8 | Confident | 81.8 | Confident | 63 Ų | 63 | 84.9 Ų | 84.9 | 44% | 0.441 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 177.7 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | G657 V658 I664 I665 | G657-S661 WeakPolarHBondContact O-CB 3.4Å; G657-S661 PolarHBondContact O-N 3.33Å; G657-S661 PolarHBondContact O-OG 3.34Å; V658-S661 PolarHBondContact O-N 3.12Å; S661-I664 PolarHBondContact O-N 2.66Å; S661-I665 WeakPolarHBondContact O-CD1 3.36Å; S661-I665 VanDerWaalsContact O-CG1 3.26Å; S661-I665 WeakPolarHBondContact O-CG1 3.36Å; S661-I665 PolarHBondContact O-N 2.93Å |
| 662 | L | 86.6 | Confident | 81.4 | Confident | 94 Ų | 94 | 86.5 Ų | 86.5 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.8 | -40.1 | 174.7 | -74.9 | 168.4 | 0 | 0 | 0 | 112.2 | V658 G659 L660 I664 I665 I666 | V658-L662 HydrophobicContact CG1-CD1 4.06Å; V658-L662 HydrophobicContact CG1-CG 4.5Å; V658-L662 WeakPolarHBondContact O-CB 3.33Å; V658-L662 WeakPolarHBondContact O-CG 3.39Å; V658-L662 PolarHBondContact O-N 2.84Å; G659-L662 PolarHBondContact O-N 3.29Å; L660-L662 PolarHBondContact O-N 3.26Å; L662-I664 VanDerWaalsContact C-N 3.33Å; L662-I664 PolarHBondContact O-N 2.61Å; L662-I665 PolarHBondContact O-N 2.97Å; L662-I666 WeakPolarHBondContact O-CB 3.24Å; L662-I666 WeakPolarHBondContact O-CD1 3.37Å; L662-I666 WeakPolarHBondContact O-CG1 3.03Å; L662-I666 PolarHBondContact O-N 3.21Å |
| 663 | L | 85.1 | Confident | 80.8 | Confident | 115 Ų | 115 | 84.5 Ų | 84.5 | 60% | 0.602 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.7 | -37.3 | 174.1 | -72.4 | 169.8 | 0 | 0 | 0 | 112.4 | G659 L660 S667 | G659-L663 WeakPolarHBondContact O-CG 3.32Å; G659-L663 PolarHBondContact O-N 3.32Å; L660-L663 PolarHBondContact O-N 3.4Å; L663-S667 WeakPolarHBondContact O-CB 3.35Å; L663-S667 PolarHBondContact O-N 2.87Å; L663-S667 PolarHBondContact O-OG 2.94Å |
| 664 | I | 84.3 | Confident | 79.8 | Confident | 98 Ų | 98 | 83.6 Ų | 83.6 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.2 | -44.8 | 173.4 | -67.6 | 163.5 | 0 | 0 | 0 | 110.7 | L660 S661 L662 I666 S667 V668 | L660-I664 VanDerWaalsContact O-CG1 3.31Å; L660-I664 WeakPolarHBondContact O-CG1 3.39Å; L660-I664 PolarHBondContact O-N 3.39Å; S661-I664 PolarHBondContact O-N 2.66Å; L662-I664 VanDerWaalsContact C-N 3.33Å; L662-I664 PolarHBondContact O-N 2.61Å; I664-I666 VanDerWaalsContact C-N 3.34Å; I664-I666 PolarHBondContact O-N 3.47Å; I664-S667 PolarHBondContact O-N 3.22Å; I664-S667 PolarHBondContact O-OG 2.89Å; I664-V668 HydrophobicContact CG2-CG2 4.44Å; I664-V668 WeakPolarHBondContact O-CB 3.28Å; I664-V668 VanDerWaalsContact O-CG2 3.28Å; I664-V668 WeakPolarHBondContact O-CG2 3.49Å; I664-V668 PolarHBondContact O-N 2.91Å |
| 665 | I | 83.9 | Confident | 78.6 | Confident | 94 Ų | 94 | 83.7 Ų | 83.7 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 176.5 | -70 | 162.7 | 0 | 0 | 0 | 110.8 | S661 L662 V668 L669 | S661-I665 WeakPolarHBondContact O-CD1 3.36Å; S661-I665 VanDerWaalsContact O-CG1 3.26Å; S661-I665 WeakPolarHBondContact O-CG1 3.36Å; S661-I665 PolarHBondContact O-N 2.93Å; L662-I665 PolarHBondContact O-N 2.97Å; I665-V668 PolarHBondContact O-N 3.27Å; I665-L669 HydrophobicContact CG2-CD1 3.85Å; I665-L669 HydrophobicContact CG2-CG 4.36Å; I665-L669 WeakPolarHBondContact O-CB 3.49Å; I665-L669 VanDerWaalsContact O-CG 3.25Å; I665-L669 WeakPolarHBondContact O-CG 3.37Å; I665-L669 PolarHBondContact O-N 2.89Å |
| 666 | I | 83 | Confident | 77.4 | Confident | 96 Ų | 96 | 84.7 Ų | 84.7 | 49% | 0.492 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 176.5 | -70 | 163.6 | 0 | 0 | 0 | 111 | L662 I664 V668 L669 V670 | L662-I666 WeakPolarHBondContact O-CB 3.24Å; L662-I666 WeakPolarHBondContact O-CD1 3.37Å; L662-I666 WeakPolarHBondContact O-CG1 3.03Å; L662-I666 PolarHBondContact O-N 3.21Å; I664-I666 VanDerWaalsContact C-N 3.34Å; I664-I666 PolarHBondContact O-N 3.47Å; I666-V668 PolarHBondContact O-N 2.88Å; I666-L669 PolarHBondContact O-N 3.35Å; I666-V670 WeakPolarHBondContact O-CG2 3.29Å; I666-V670 PolarHBondContact O-N 2.81Å |
| 667 | S | 77.8 | Confident | 76.1 | Confident | 69 Ų | 69 | 91.6 Ų | 91.6 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 178.4 | 72.7 | 0 | 0 | 0 | 0 | 112.3 | L663 I664 V670 C671 | L663-S667 WeakPolarHBondContact O-CB 3.35Å; L663-S667 PolarHBondContact O-N 2.87Å; L663-S667 PolarHBondContact O-OG 2.94Å; I664-S667 PolarHBondContact O-N 3.22Å; I664-S667 PolarHBondContact O-OG 2.89Å; S667-V670 PolarHBondContact O-N 2.91Å; S667-C671 WeakPolarHBondContact O-CB 3.4Å; S667-C671 PolarHBondContact O-N 2.79Å |
| 668 | V | 80.2 | Confident | 74.8 | Confident | 67 Ų | 67 | 96.1 Ų | 96.1 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 172.3 | 168.8 | 0 | 0 | 0 | 0 | 111.6 | I664 I665 I666 C671 F672 | I664-V668 HydrophobicContact CG2-CG2 4.44Å; I664-V668 WeakPolarHBondContact O-CB 3.28Å; I664-V668 VanDerWaalsContact O-CG2 3.28Å; I664-V668 WeakPolarHBondContact O-CG2 3.49Å; I664-V668 PolarHBondContact O-N 2.91Å; I665-V668 PolarHBondContact O-N 3.27Å; I666-V668 PolarHBondContact O-N 2.88Å; V668-C671 VanDerWaalsContact O-CB 3.32Å; V668-C671 WeakPolarHBondContact O-CB 3.24Å; V668-C671 PolarHBondContact O-N 2.91Å; V668-C671 VanDerWaalsContact O-N 3.17Å; V668-F672 HydrophobicContact CG1-CD2 3.7Å; V668-F672 HydrophobicContact CG1-CE2 3.64Å; V668-F672 VanDerWaalsContact O-CD2 3.31Å; V668-F672 WeakPolarHBondContact O-CD2 3.41Å; V668-F672 PolarHBondContact O-N 2.94Å |
| 669 | L | 78.4 | Confident | 73 | Confident | 109 Ų | 109 | 98.6 Ų | 98.6 | 57% | 0.571 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.6 | -39 | 175.7 | -74.7 | 170 | 0 | 0 | 0 | 112.2 | I665 I666 C671 F672 S673 | I665-L669 HydrophobicContact CG2-CD1 3.85Å; I665-L669 HydrophobicContact CG2-CG 4.36Å; I665-L669 WeakPolarHBondContact O-CB 3.49Å; I665-L669 VanDerWaalsContact O-CG 3.25Å; I665-L669 WeakPolarHBondContact O-CG 3.37Å; I665-L669 PolarHBondContact O-N 2.89Å; I666-L669 PolarHBondContact O-N 3.35Å; L669-C671 VanDerWaalsContact C-N 3.33Å; L669-F672 PolarHBondContact O-N 2.88Å; L669-S673 WeakPolarHBondContact O-CB 3.3Å; L669-S673 PolarHBondContact O-N 3.24Å |
| 670 | V | 77.3 | Confident | 71.6 | Confident | 84 Ų | 84 | 105.6 Ų | 105.6 | 51% | 0.509 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 170.9 | 168.5 | 0 | 0 | 0 | 0 | 110 | I666 S667 F672 S673 T674 | I666-V670 WeakPolarHBondContact O-CG2 3.29Å; I666-V670 PolarHBondContact O-N 2.81Å; S667-V670 PolarHBondContact O-N 2.91Å; V670-F672 PolarHBondContact O-N 2.7Å; V670-S673 PolarHBondContact O-N 3.3Å; V670-S673 VanDerWaalsContact O-N 3.11Å; V670-S673 PolarHBondContact O-OG 2.72Å; V670-T674 PolarHBondContact O-N 3.06Å; V670-T674 VanDerWaalsContact O-N 3.12Å |
| 671 | C | 67.4 | Low | 70.2 | Confident | 84 Ų | 84 | 105 Ų | 105 | 57% | 0.568 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -58.3 | -49.2 | 177.2 | -149.6 | 0 | 0 | 0 | 0 | 111.7 | S667 V668 L669 S673 T674 H675 | S667-C671 WeakPolarHBondContact O-CB 3.4Å; S667-C671 PolarHBondContact O-N 2.79Å; V668-C671 VanDerWaalsContact O-CB 3.32Å; V668-C671 WeakPolarHBondContact O-CB 3.24Å; V668-C671 PolarHBondContact O-N 2.91Å; V668-C671 VanDerWaalsContact O-N 3.17Å; L669-C671 VanDerWaalsContact C-N 3.33Å; C671-S673 VanDerWaalsContact C-N 3.32Å; C671-S673 PolarHBondContact O-N 2.95Å; C671-T674 PolarHBondContact O-N 2.78Å; C671-T674 VanDerWaalsContact O-N 3.15Å; C671-T674 PolarHBondContact O-OG1 3.36Å; C671-H675 PolarHBondContact O-N 2.84Å |
| 672 | F | 67.4 | Low | 68.7 | Low | 139 Ų | 139 | 110.3 Ų | 110.3 | 61% | 0.61 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.3 | -31.6 | 174.4 | -79.7 | -67.6 | 0 | 0 | 0 | 113.5 | V668 L669 V670 T674 H675 | V668-F672 HydrophobicContact CG1-CD2 3.7Å; V668-F672 HydrophobicContact CG1-CE2 3.64Å; V668-F672 VanDerWaalsContact O-CD2 3.31Å; V668-F672 WeakPolarHBondContact O-CD2 3.41Å; V668-F672 PolarHBondContact O-N 2.94Å; L669-F672 PolarHBondContact O-N 2.88Å; V670-F672 PolarHBondContact O-N 2.7Å; F672-T674 VanDerWaalsContact C-N 3.28Å; F672-T674 PolarHBondContact O-N 3.17Å; F672-H675 WeakPolarHBondContact O-CB 3.39Å; F672-H675 PolarHBondContact O-N 2.84Å |
| 673 | S | 64.3 | Low | 67.2 | Low | 74 Ų | 74 | 117 Ų | 117 | 52% | 0.517 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.9 | -28.3 | 174.5 | 81.4 | 0 | 0 | 0 | 0 | 113 | L669 V670 C671 | L669-S673 WeakPolarHBondContact O-CB 3.3Å; L669-S673 PolarHBondContact O-N 3.24Å; V670-S673 PolarHBondContact O-N 3.3Å; V670-S673 VanDerWaalsContact O-N 3.11Å; V670-S673 PolarHBondContact O-OG 2.72Å; C671-S673 VanDerWaalsContact C-N 3.32Å; C671-S673 PolarHBondContact O-N 2.95Å |
| 674 | T | 60.2 | Low | 65.2 | Low | 74 Ų | 74 | 116.9 Ų | 116.9 | 45% | 0.454 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -78.1 | -25.5 | 173.4 | 65.4 | 0 | 0 | 0 | 0 | 113.3 | V670 C671 F672 E676 R677 L678 | V670-T674 PolarHBondContact O-N 3.06Å; V670-T674 VanDerWaalsContact O-N 3.12Å; C671-T674 PolarHBondContact O-N 2.78Å; C671-T674 VanDerWaalsContact O-N 3.15Å; C671-T674 PolarHBondContact O-OG1 3.36Å; F672-T674 VanDerWaalsContact C-N 3.28Å; F672-T674 PolarHBondContact O-N 3.17Å; T674-E676 PolarHBondContact O-N 3.27Å; T674-R677 PolarHBondContact O-N 3.43Å; T674-R677 VanDerWaalsContact O-N 3.09Å; T674-L678 PolarHBondContact O-N 3.02Å |
| 675 | H | 58.3 | Low | 63.3 | Low | 99 Ų | 99 | 122.5 Ų | 122.5 | 46% | 0.458 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -60.9 | -41.6 | 177.4 | 179.7 | -97.5 | 0 | 0 | 0 | 112.9 | C671 F672 R677 L678 | C671-H675 PolarHBondContact O-N 2.84Å; F672-H675 WeakPolarHBondContact O-CB 3.39Å; F672-H675 PolarHBondContact O-N 2.84Å; H675-R677 VanDerWaalsContact C-N 3.25Å; H675-R677 PolarHBondContact O-N 2.78Å; H675-L678 PolarHBondContact O-N 3.46Å; H675-L678 VanDerWaalsContact O-N 3.12Å |
| 676 | E | 56.5 | Low | 61.3 | Low | 106 Ų | 106 | 125.1 Ų | 125.1 | 50% | 0.495 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.9 | -22.8 | 175.5 | -75.3 | -54.8 | 122.9 | 0 | 0 | 113.4 | T674 L678 K679 | T674-E676 PolarHBondContact O-N 3.27Å; E676-L678 VanDerWaalsContact C-N 3.35Å; E676-K679 WeakPolarHBondContact OE1-CE 3.5Å; E676-K679 IonicContact OE1-NZ 3.16Å; E676-K679 PolarHBondContact OE1-NZ 3.18Å; E676-K679 IonicContact OE2-NZ 2.78Å; E676-K679 PolarHBondContact OE2-NZ 3.07Å |
| 677 | R | 57.4 | Low | 59.1 | Low | 212 Ų | 212 | 126.2 Ų | 126.2 | 80% | 0.8 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -77.5 | -18.4 | 172.4 | -71.7 | -161.1 | 167.4 | -143.7 | -4.5 | 113.7 | T674 H675 | T674-R677 PolarHBondContact O-N 3.43Å; T674-R677 VanDerWaalsContact O-N 3.09Å; H675-R677 VanDerWaalsContact C-N 3.25Å; H675-R677 PolarHBondContact O-N 2.78Å |
| 678 | L | 58.4 | Low | 57.4 | Low | 125 Ų | 125 | 129.6 Ų | 129.6 | 65% | 0.654 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -78.8 | -24.8 | 176.8 | -75 | 162.8 | 0 | 0 | 0 | 113.4 | T674 H675 E676 M680 | T674-L678 PolarHBondContact O-N 3.02Å; H675-L678 PolarHBondContact O-N 3.46Å; H675-L678 VanDerWaalsContact O-N 3.12Å; E676-L678 VanDerWaalsContact C-N 3.35Å; L678-M680 VanDerWaalsContact C-N 3.28Å; L678-M680 PolarHBondContact O-N 3.25Å |
| 679 | K | 50.1 | Low | 55.7 | Low | 131 Ų | 131 | 132.2 Ų | 132.2 | 57% | 0.57 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -65.7 | -25.2 | 177.6 | -76 | 178.5 | -179.6 | 164.1 | 0 | 114.4 | E676 C681 | E676-K679 WeakPolarHBondContact OE1-CE 3.5Å; E676-K679 IonicContact OE1-NZ 3.16Å; E676-K679 PolarHBondContact OE1-NZ 3.18Å; E676-K679 IonicContact OE2-NZ 2.78Å; E676-K679 PolarHBondContact OE2-NZ 3.07Å; K679-C681 VanDerWaalsContact C-N 3.26Å; K679-C681 PolarHBondContact O-N 2.66Å |
| 680 | M | 54.7 | Low | 53.8 | Low | 176 Ų | 176 | 130 Ų | 130 | 87% | 0.867 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -77.6 | 0.3 | -173.5 | -80.1 | -66.4 | -128.2 | 0 | 0 | 115.3 | L678 | L678-M680 VanDerWaalsContact C-N 3.28Å; L678-M680 PolarHBondContact O-N 3.25Å |
| 681 | C | 58.5 | Low | 51.9 | Low | 96 Ų | 96 | 133.6 Ų | 133.6 | 65% | 0.649 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -104.4 | -9.9 | -171.8 | -67.7 | 0 | 0 | 0 | 0 | 116.4 | K679 | K679-C681 VanDerWaalsContact C-N 3.26Å; K679-C681 PolarHBondContact O-N 2.66Å |
| 682 | F | 53.3 | Low | 50.5 | Low | 175 Ų | 175 | 135.8 Ų | 135.8 | 77% | 0.768 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -132.9 | -8.2 | -162 | -92.1 | -74.1 | 0 | 0 | 0 | 119.9 | ||
| 683 | W | 53.8 | Low | 49.3 | Very low | 234 Ų | 234 | 134.7 Ų | 134.7 | 89% | 0.886 | 71% | 0.712 | S | S | * | * | trans | -139.3 | 118.3 | 178.9 | -73.4 | 87.5 | 0 | 0 | 0 | 113.5 | ||||
| 684 | P | 43.8 | Very low | 48.2 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | trans | -83.2 | 164.4 | 172.3 | 34.4 | -34.4 | 0 | 0 | 0 | 112.4 | ||||
| 685 | K | 44.6 | Very low | 46.8 | Very low | 215 Ų | 215 | 144.3 Ų | 144.3 | 94% | 0.935 | 75% | 0.745 | S | S | * | * | trans | -69.5 | 140.9 | 176.3 | -68.1 | -179.4 | 176.6 | -179.9 | 0 | 111.9 | ||||
| 686 | I | 41.4 | Very low | 45.7 | Very low | 149 Ų | 149 | 150 Ų | 150 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | -111.3 | 140.8 | 170 | -62 | 176.3 | 0 | 0 | 0 | 108.8 | ||||
| 687 | P | 37.4 | Very low | 44.8 | Very low | 119 Ų | 119 | 155.7 Ų | 155.7 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -85.1 | 169.5 | -173.9 | -10.1 | 29.4 | 0 | 0 | 0 | 115.4 | ||||
| 688 | D | 41.5 | Very low | 43.5 | Very low | 141 Ų | 141 | 150.8 Ų | 150.8 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -85.1 | 122.2 | 179.5 | 175.6 | 19.1 | 0 | 0 | 0 | 112.9 | A690 | D688-A690 PolarHBondContact O-N 3.02Š| ||
| 689 | P | 44.2 | Very low | 42.3 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -88.3 | 77 | 172.8 | 36.2 | -32.9 | 0 | 0 | 0 | 111.7 | ||||
| 690 | A | 40 | Very low | 41.6 | Very low | 63 Ų | 63 | 152 Ų | 152 | 52% | 0.521 | 79% | 0.786 | S | S | . | * | trans | -60.1 | 152.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D688 | D688-A690 PolarHBondContact O-N 3.02Š| ||
| 691 | N | 36.1 | Very low | 40.5 | Very low | 160 Ų | 160 | 150.4 Ų | 150.4 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | 69.2 | 101.6 | 171.8 | -50.2 | -66.3 | 0 | 0 | 0 | 117.7 | ||||
| 692 | S | 37.4 | Very low | 39.2 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | -156.4 | 156.5 | 111.1 | 58.3 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 693 | S | 43.8 | Very low | 38.1 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -127.9 | 125.4 | -171.4 | 50.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 694 | I | 40.4 | Very low | 37.2 | Very low | 167 Ų | 167 | 145 Ų | 145 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -151.4 | 131.5 | 163.2 | -139 | 164.3 | 0 | 0 | 0 | 115.2 | ||||
| 695 | K | 31 | Very low | 36.5 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | 60.5 | 108.4 | 155.7 | -112.6 | 172.4 | 178.8 | 177.5 | 0 | 121.6 | ||||
| 696 | R | 35.8 | Very low | 35.8 | Very low | 220 Ų | 220 | 142.1 Ų | 142.1 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | -81.5 | 141.5 | 149.5 | -106.2 | -177.8 | 176.5 | 166.2 | -2.8 | 110.9 | ||||
| 697 | W | 37 | Very low | 35.9 | Very low | 225 Ų | 225 | 140.8 Ų | 140.8 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | trans | -155.6 | 132 | 137.5 | -80.1 | 88.6 | 0 | 0 | 0 | 104.4 | ||||
| 698 | N | 29 | Very low | 36.5 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 58% | 0.583 | 76% | 0.764 | S | S | * | * | cis | 67.4 | 129.3 | 40.4 | -70.6 | 44.5 | 0 | 0 | 0 | 112.8 | ||||
| 699 | T | 34.3 | Very low | 35.9 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | cis | -167.7 | 158.6 | 1.8 | 4.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 700 | L | 34.3 | Very low | 35.3 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | 73.9 | 167.2 | 151.3 | -150.6 | 61.8 | 0 | 0 | 0 | 119 | ||||
| 701 | D | 32.9 | Very low | 34.7 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 69.1 | 137.4 | 177.7 | -76.1 | 7.1 | 0 | 0 | 0 | 117.8 | ||||
| 702 | S | 31.2 | Very low | 34.3 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | cis | -151.8 | 178.9 | -8.9 | -156.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 703 | M | 30.8 | Very low | 33.9 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | trans | -66 | 175.6 | 173 | -37.7 | 175.8 | 78.9 | 0 | 0 | 110.5 | ||||
| 704 | Q | 33.9 | Very low | 33 | Very low | 143 Ų | 143 | 149.1 Ų | 149.1 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | cis | -163.2 | 159.7 | 7.3 | -147.4 | 152.8 | -25 | 0 | 0 | 108.3 | ||||
| 705 | D | 29.7 | Very low | 32.4 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | 177.9 | 143.9 | 111.8 | -97.6 | -19.3 | 0 | 0 | 0 | 115.1 | |||||
| 706 | T | 29.6 | Very low | 32.2 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | -160.9 | 146.2 | 166.7 | -18.4 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 707 | P | 43.3 | Very low | 32 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | -147.2 | -174 | 105.6 | 39.6 | -21.2 | 0 | 0 | 0 | 111.5 | |||||
| 708 | P | 51.1 | Low | 31.6 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -125.8 | -169.3 | -147.5 | 39 | -21.5 | 0 | 0 | 0 | 114.8 | ||||
| 709 | V | 27.8 | Very low | 31.6 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | 177.6 | 160.2 | 119.1 | 152.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 710 | E | 32.7 | Very low | 31.2 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -45.4 | 167.7 | -179.8 | -67.9 | 139.4 | 144.7 | 0 | 0 | 116.5 | ||||
| 711 | D | 27.5 | Very low | 30.9 | Very low | 127 Ų | 127 | 139 Ų | 139 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | cis | -158.9 | 163.3 | 31 | -153.5 | 5.4 | 0 | 0 | 0 | 116.2 | ||||
| 712 | M | 27.1 | Very low | 30.8 | Very low | 148 Ų | 148 | 138.9 Ų | 138.9 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | trans | 32.5 | 157.2 | 161 | -74.1 | -167.7 | -67.7 | 0 | 0 | 123 | ||||
| 713 | Q | 28.1 | Very low | 30.7 | Very low | 170 Ų | 170 | 141.1 Ų | 141.1 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | cis | -171.3 | 174.3 | -30.8 | -176.2 | 152.8 | -71.3 | 0 | 0 | 107.3 | ||||
| 714 | E | 26.2 | Very low | 30.4 | Very low | 180 Ų | 180 | 138.7 Ų | 138.7 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | trans | 86 | 142.5 | 174.4 | -63.3 | -158.6 | 151.7 | 0 | 0 | 116.7 | ||||
| 715 | S | 26 | Very low | 30.1 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | cis | -157.8 | 159.9 | -13.5 | 48 | 0 | 0 | 0 | 0 | 111 | ||||
| 716 | S | 26.8 | Very low | 30.1 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | -154.8 | 123.3 | 172.4 | 62.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 717 | L | 31.8 | Very low | 30 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | trans | 28.5 | 115.1 | 142.2 | -66.2 | 163.8 | 0 | 0 | 0 | 120.1 | ||||
| 718 | V | 30 | Very low | 29.3 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | trans | -138 | 150.3 | 148.8 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 719 | Y | 28.6 | Very low | 28.9 | Very low | 207 Ų | 207 | 139.2 Ų | 139.2 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | -88.9 | 164.3 | -174.8 | -98.6 | -100.7 | 0 | 0 | 0 | 115 | ||||
| 720 | L | 25.7 | Very low | 29.2 | Very low | 141 Ų | 141 | 141.8 Ų | 141.8 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | 48.4 | 110.5 | 144.6 | -78.8 | 162.3 | 0 | 0 | 0 | 122 | ||||
| 721 | S | 29 | Very low | 29.2 | Very low | 89 Ų | 89 | 142.8 Ų | 142.8 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | 97.9 | 141.2 | 108.7 | 78.7 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 722 | N | 30 | Very low | 29.3 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | 90 | 123.3 | 142.9 | -67.5 | -16.1 | 0 | 0 | 0 | 122.5 | ||||
| 723 | L | 28.1 | Very low | 29.4 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | trans | 58 | 95.1 | 143.1 | -58.8 | 165.6 | 0 | 0 | 0 | 117.3 | ||||
| 724 | S | 26.4 | Very low | 29.5 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | 66.6 | 116.7 | 72.9 | 79.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 725 | L | 26.2 | Very low | 29.5 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | -179 | 167.8 | 102.7 | -145.5 | 66.5 | 0 | 0 | 0 | 112.3 | |||||
| 726 | L | 29.6 | Very low | 29.5 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 72% | 0.723 | 75% | 0.75 | S | S | * | * | trans | 75.8 | 92 | 159.7 | -63.6 | 171 | 0 | 0 | 0 | 121 | ||||
| 727 | D | 28.1 | Very low | 29.5 | Very low | 129 Ų | 129 | 141.6 Ų | 141.6 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | 63.5 | 102.4 | 116.2 | -73.1 | 7.4 | 0 | 0 | 0 | 123.9 | |||||
| 728 | L | 28.1 | Very low | 29.3 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | 70.9 | 157.7 | 122.1 | -96.6 | 81 | 0 | 0 | 0 | 119.3 | |||||
| 729 | P | 42.9 | Very low | 29.3 | Very low | 99 Ų | 99 | 138.4 Ų | 138.4 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | cis | -140.9 | 156.5 | 33.6 | 41.1 | -22.3 | 0 | 0 | 0 | 119.5 | ||||
| 730 | K | 34 | Very low | 29.5 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | trans | 52.1 | 145.2 | 136.4 | -61.9 | 166 | -170.4 | 163.3 | 0 | 119 | ||||
| 731 | K | 33 | Very low | 29.7 | Very low | 187 Ų | 187 | 134.2 Ų | 134.2 | 81% | 0.813 | 74% | 0.737 | S | S | * | * | cis | -159.2 | 134.7 | 3.2 | -124.4 | 177 | 176.2 | -171.8 | 0 | 105.4 | ||||
| 732 | G | 30.5 | Very low | 29.6 | Very low | 73 Ų | 73 | 136.9 Ų | 136.9 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | 116.7 | 161.3 | 87.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 733 | L | 27.9 | Very low | 29.3 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 71% | 0.712 | 75% | 0.746 | S | S | * | * | cis | -153.1 | 113.3 | 3.9 | -177.1 | 77.2 | 0 | 0 | 0 | 110.7 | ||||
| 734 | E | 29.8 | Very low | 29.8 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | trans | 60.1 | 153.1 | 150.5 | -59.3 | -178.7 | 126.4 | 0 | 0 | 119.5 | ||||
| 735 | K | 28.2 | Very low | 29.7 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 74% | 0.739 | 75% | 0.75 | S | S | * | * | cis | -173.7 | 156.8 | -16.7 | -102.5 | 165.7 | 179.7 | 166 | 0 | 103.6 | ||||
| 736 | R | 25.4 | Very low | 29.7 | Very low | 227 Ų | 227 | 139.9 Ų | 139.9 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | cis | -176.3 | 132.2 | -12.9 | 155.1 | -176.2 | -86.9 | -144.5 | -3.6 | 101.6 | ||||
| 737 | G | 26.2 | Very low | 29.3 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | cis | 97.1 | 122.1 | 42.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 738 | G | 28.5 | Very low | 29.1 | Very low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | cis | -177.4 | -151.2 | 4.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 739 | E | 29.5 | Very low | 29 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -52.4 | 148.1 | -175.5 | -81.4 | 158.9 | 117.2 | 0 | 0 | 117 | ||||
| 740 | I | 32.5 | Very low | 28.2 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | 67.7 | 129.1 | 74 | -86 | 168.9 | 0 | 0 | 0 | 112.1 | |||||
| 741 | T | 29.6 | Very low | 27.9 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | cis | -122.9 | -143 | -0.8 | 7.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 742 | D | 26.3 | Very low | 27.7 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | cis | -158.3 | 177.8 | 9.7 | -133.8 | -63 | 0 | 0 | 0 | 113.6 | ||||
| 743 | D | 25.4 | Very low | 27.7 | Very low | 144 Ų | 144 | 141.5 Ų | 141.5 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | -105.6 | -178.3 | -170.8 | -110.9 | -36.2 | 0 | 0 | 0 | 112.9 | ||||
| 744 | P | 37.1 | Very low | 27.9 | Very low | 95 Ų | 95 | 143.6 Ų | 143.6 | 62% | 0.617 | 78% | 0.775 | S | S | * | * | cis | -136.9 | -170.9 | -8.3 | 22.1 | 4.9 | 0 | 0 | 0 | 115.7 | ||||
| 745 | W | 25.9 | Very low | 27.9 | Very low | 243 Ų | 243 | 140.3 Ų | 140.3 | 92% | 0.92 | 78% | 0.777 | S | S | * | * | trans | 87.9 | 148.3 | 160.6 | -69.6 | 96.2 | 0 | 0 | 0 | 121 | ||||
| 746 | C | 24.2 | Very low | 28 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | -104.4 | 150.1 | -167.2 | -41 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 747 | R | 22 | Very low | 28.3 | Very low | 244 Ų | 244 | 134.5 Ų | 134.5 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -156.6 | 159.9 | 141.3 | -150.6 | 164.9 | -71.9 | -164.3 | -0.3 | 112 | ||||
| 748 | C | 23.8 | Very low | 28.6 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -74.2 | 172.9 | 170.8 | -42.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 749 | S | 25.3 | Very low | 28.5 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | cis | -158 | 177.5 | 19.4 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 750 | D | 26.7 | Very low | 28.4 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 81.4 | 154.3 | 150.5 | -56.4 | -45.1 | 0 | 0 | 0 | 123 | ||||
| 751 | T | 26.9 | Very low | 28.4 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 71.7 | 89.7 | 164.3 | 46.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 752 | S | 29.6 | Very low | 28.7 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | 66.9 | 138.9 | 120.9 | 59.4 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 753 | D | 30.6 | Very low | 28.9 | Very low | 148 Ų | 148 | 135.5 Ų | 135.5 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | 80.4 | 141.6 | 149.7 | -73 | -17.7 | 0 | 0 | 0 | 122.4 | ||||
| 754 | L | 32.5 | Very low | 29 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 94% | 0.942 | 78% | 0.777 | S | S | * | * | trans | 67.6 | 144.8 | 174.9 | -53.6 | 166.5 | 0 | 0 | 0 | 116.2 | ||||
| 755 | G | 28.5 | Very low | 28.6 | Very low | 67 Ų | 67 | 137 Ų | 137 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | cis | 159 | 114.9 | -11.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 756 | E | 32.1 | Very low | 28.7 | Very low | 194 Ų | 194 | 130.7 Ų | 130.7 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | 60.2 | 166.6 | 172.6 | -65.9 | -170.5 | 161.2 | 0 | 0 | 117.2 | ||||
| 757 | S | 31.5 | Very low | 29.6 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 57% | 0.566 | 79% | 0.785 | S | S | * | * | cis | -166.8 | 171.9 | -42.8 | 66.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 758 | I | 32 | Very low | 29.8 | Very low | 157 Ų | 157 | 124.9 Ų | 124.9 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | 68.9 | 138.2 | 160 | -67.8 | 167.3 | 0 | 0 | 0 | 115.2 | ||||
| 759 | C | 27 | Very low | 30 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | cis | -150.9 | 171.9 | -6 | -125.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 760 | G | 26.8 | Very low | 30.1 | Very low | 63 Ų | 63 | 132.8 Ų | 132.8 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | cis | 169.1 | 165.7 | 0.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 761 | S | 31.8 | Very low | 30.1 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -73.2 | 171.2 | 174 | -43.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 762 | P | 36.2 | Very low | 30.2 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | -135.3 | 150.2 | 101.1 | 37 | -27.8 | 0 | 0 | 0 | 114.5 | |||||
| 763 | H | 30.5 | Very low | 30.2 | Very low | 178 Ų | 178 | 131 Ų | 131 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -86.4 | 149.4 | 169.8 | -71.8 | -86.8 | 0 | 0 | 0 | 111.4 | ||||
| 764 | A | 27 | Very low | 30 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -84 | 152.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 765 | L | 29.8 | Very low | 29.7 | Very low | 172 Ų | 172 | 129.8 Ų | 129.8 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | trans | -142.4 | 163.6 | 169 | -96.2 | 173.4 | 0 | 0 | 0 | 111.5 | ||||
| 766 | S | 28.1 | Very low | 29.7 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -78.7 | 164.9 | -156.4 | -46.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 767 | P | 42 | Very low | 29.5 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | -102.7 | 162.8 | -166.2 | 39.3 | -35.8 | 0 | 0 | 0 | 116 | ||||
| 768 | S | 26.3 | Very low | 30.1 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | -157.4 | 117.5 | 161.2 | 59.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 769 | Y | 27.7 | Very low | 30 | Very low | 213 Ų | 213 | 131.9 Ų | 131.9 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 69.1 | 114.4 | 145.3 | -83.6 | -105.6 | 0 | 0 | 0 | 124.2 | ||||
| 770 | I | 28.7 | Very low | 30.1 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | 65.7 | 127.8 | 142.8 | -60.8 | 178.9 | 0 | 0 | 0 | 120 | ||||
| 771 | G | 27.4 | Very low | 30.2 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | 170.6 | 32.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 772 | S | 28.1 | Very low | 30.1 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | 14.4 | 152.7 | 164.6 | 57.7 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 773 | H | 28.5 | Very low | 29.7 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 91.4 | 97.4 | 159.5 | -69.2 | -79.4 | 0 | 0 | 0 | 122.6 | ||||
| 774 | Q | 27.4 | Very low | 29.5 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | 85.4 | 129.6 | 119 | -97.4 | 169.9 | -62.8 | 0 | 0 | 125 | |||||
| 775 | H | 26.8 | Very low | 29.4 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | 88.9 | 146.6 | 145.9 | -72.1 | -59.5 | 0 | 0 | 0 | 124 | ||||
| 776 | S | 27 | Very low | 29.4 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | 71.1 | 92.9 | 163.6 | 36.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 777 | V | 29.5 | Very low | 30.1 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | trans | -74.3 | 144.7 | 143 | 168.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 778 | P | 43.6 | Very low | 29.5 | Very low | 78 Ų | 78 | 135.7 Ų | 135.7 | 51% | 0.506 | 75% | 0.747 | S | S | . | * | -159.5 | 157.5 | 102.5 | 40.9 | -20 | 0 | 0 | 0 | 120.6 | |||||
| 779 | Y | 29.8 | Very low | 29.6 | Very low | 214 Ų | 214 | 135.6 Ų | 135.6 | 84% | 0.839 | 75% | 0.746 | S | S | * | * | trans | 54.6 | 154.9 | 156.4 | 47 | -128 | 0 | 0 | 0 | 121.3 | ||||
| 780 | A | 29.5 | Very low | 29.7 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | cis | -135.9 | -178.9 | 16.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 781 | T | 28.5 | Very low | 29.7 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | trans | -150 | 149.2 | -161.9 | -35.9 | 0 | 0 | 0 | 0 | 114.6 | V783 | T781-V783 HydrophobicContact CG2-CG2 3.62Š| ||
| 782 | V | 30.2 | Very low | 30.6 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | trans | -153 | 120 | 166.5 | 177.8 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 783 | V | 27.3 | Very low | 31.7 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 53% | 0.533 | 74% | 0.74 | S | S | . | * | cis | 72 | 120.6 | 15.6 | -147.1 | 0 | 0 | 0 | 0 | 113.4 | T781 | T781-V783 HydrophobicContact CG2-CG2 3.62Š| ||
| 784 | F | 25.6 | Very low | 31.7 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | cis | -120 | -166.8 | 23.5 | -70 | -98.9 | 0 | 0 | 0 | 111.6 | ||||
| 785 | D | 24.8 | Very low | 31.8 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | cis | -147.7 | -171.4 | 4.8 | -145.4 | -18.8 | 0 | 0 | 0 | 114.9 | ||||
| 786 | S | 30.8 | Very low | 31.9 | Very low | 85 Ų | 85 | 132.7 Ų | 132.7 | 59% | 0.594 | 75% | 0.754 | S | S | * | * | trans | -116.6 | -174.7 | -146.8 | -45.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 787 | P | 42.8 | Very low | 31.8 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | cis | -138.8 | 162.2 | 3.5 | 41 | -21.5 | 0 | 0 | 0 | 119.6 | ||||
| 788 | Y | 28.8 | Very low | 31.8 | Very low | 215 Ų | 215 | 132.9 Ų | 132.9 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -14.9 | 144.4 | 157.5 | -66.7 | -97.2 | 0 | 0 | 0 | 122.2 | ||||
| 789 | S | 29.6 | Very low | 31 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | -170.9 | 119.3 | 102.6 | -161.7 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 790 | I | 28.8 | Very low | 31 | Very low | 134 Ų | 134 | 135 Ų | 135 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | trans | 25.8 | 105.2 | 137.8 | -48.6 | -178.9 | 0 | 0 | 0 | 122.6 | ||||
| 791 | Q | 28.4 | Very low | 31 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | 59.7 | -169.6 | 133.5 | -47.5 | -166.5 | -43.1 | 0 | 0 | 120.6 | ||||
| 792 | P | 46 | Very low | 31.1 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | -131.9 | -144.8 | -118.7 | 35.8 | -8.7 | 0 | 0 | 0 | 114.1 | |||||
| 793 | P | 52.8 | Low | 31.1 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | -114.2 | 155.4 | -82.9 | 36.9 | -23.1 | 0 | 0 | 0 | 113.7 | |||||
| 794 | S | 27.8 | Very low | 31.4 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | trans | -161.6 | 160.5 | 157.6 | 50.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 795 | Q | 30.4 | Very low | 32.1 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -94.6 | 144.5 | 171.3 | -69.1 | 177.8 | -36.1 | 0 | 0 | 110.4 | ||||
| 796 | S | 27.2 | Very low | 32.5 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | 144.6 | 149.3 | 118.3 | 61.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 797 | H | 26.7 | Very low | 33.1 | Very low | 184 Ų | 184 | 142.8 Ų | 142.8 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | 67.9 | 159.1 | 170.2 | -49.3 | -73.7 | 0 | 0 | 0 | 118.7 | ||||
| 798 | A | 27.8 | Very low | 32.5 | Very low | 70 Ų | 70 | 142.3 Ų | 142.3 | 58% | 0.579 | 76% | 0.763 | S | S | * | * | cis | -172.7 | 167.5 | -41.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 799 | Y | 27.4 | Very low | 32.6 | Very low | 207 Ų | 207 | 139.6 Ų | 139.6 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | 68.7 | 120.2 | 172 | -72.4 | -96.8 | 0 | 0 | 0 | 115.4 | ||||
| 800 | L | 29.8 | Very low | 32.6 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | 71.6 | 138.5 | 78.9 | -84.1 | 154.9 | 0 | 0 | 0 | 112.6 | |||||
| 801 | R | 29.5 | Very low | 32.8 | Very low | 214 Ų | 214 | 142.3 Ų | 142.3 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | cis | -157.7 | -179 | 20.4 | -162.2 | 166.9 | -157.5 | 149.1 | 2.8 | 112.1 | ||||
| 802 | S | 30.8 | Very low | 32.7 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | trans | 103.4 | 133.1 | 135.8 | 82.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 803 | E | 29.7 | Very low | 32.1 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | cis | -141.7 | 162 | -13.5 | -62.2 | -157.9 | 141 | 0 | 0 | 111.6 | ||||
| 804 | S | 33.9 | Very low | 30.9 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -151.2 | 136.1 | 154.7 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 805 | T | 39.9 | Very low | 30.9 | Very low | 123 Ų | 123 | 148.7 Ų | 148.7 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -96.7 | 131.4 | -166 | 44.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 806 | Q | 32.8 | Very low | 31.6 | Very low | 141 Ų | 141 | 144.4 Ų | 144.4 | 66% | 0.659 | 75% | 0.753 | S | S | * | * | trans | -78.3 | 175.2 | 160.2 | -65.9 | -179.9 | -68.6 | 0 | 0 | 110.3 | ||||
| 807 | P | 43.5 | Very low | 31.5 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | -123.2 | 166.4 | 97.5 | 35.9 | -32.8 | 0 | 0 | 0 | 114.5 | |||||
| 808 | L | 31.5 | Very low | 31.8 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 56% | 0.56 | 76% | 0.758 | S | S | * | * | trans | -111.3 | 163.7 | -172.2 | -84 | 162.7 | 0 | 0 | 0 | 112.9 | ||||
| 809 | L | 30.1 | Very low | 32.2 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 83% | 0.827 | 76% | 0.763 | S | S | * | * | trans | -158.9 | 107.3 | 138.8 | -92.5 | 159.3 | 0 | 0 | 0 | 103.3 | ||||
| 810 | E | 30.3 | Very low | 32.1 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | 55.1 | 130.4 | 67.5 | -66.1 | 179.2 | 169.5 | 0 | 0 | 112.9 | |||||
| 811 | E | 32.5 | Very low | 32.3 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -152.6 | 164.6 | -22.8 | -133 | 169.9 | -178.5 | 0 | 0 | 106.5 | ||||
| 812 | D | 27.3 | Very low | 32.1 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | -171.7 | 159.5 | 91.5 | -99.5 | -37.6 | 0 | 0 | 0 | 112.4 | |||||
| 813 | L | 32 | Very low | 32 | Very low | 150 Ų | 150 | 149.1 Ų | 149.1 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -55.4 | 161.5 | -179.6 | -60.5 | 152 | 0 | 0 | 0 | 114.1 | ||||
| 814 | E | 29 | Very low | 32 | Very low | 191 Ų | 191 | 148 Ų | 148 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | cis | -151.4 | 163.6 | 47.8 | -67.8 | -176.9 | 140.8 | 0 | 0 | 115.3 | ||||
| 815 | E | 26.5 | Very low | 31.7 | Very low | 181 Ų | 181 | 148.5 Ų | 148.5 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -109.1 | -179.6 | 171.5 | -111.2 | -161.2 | -161.4 | 0 | 0 | 110.4 | ||||
| 816 | P | 46.2 | Very low | 31.6 | Very low | 99 Ų | 99 | 148 Ų | 148 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | cis | -132.9 | 178.7 | -37.9 | 37.3 | -21.7 | 0 | 0 | 0 | 112.1 | ||||
| 817 | S | 25.2 | Very low | 31.3 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | 175.8 | 148.3 | 131.3 | 44.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 818 | S | 32.2 | Very low | 30.6 | Very low | 110 Ų | 110 | 150.8 Ų | 150.8 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -119.2 | 156.3 | 147.8 | 65.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 819 | P | 36.2 | Very low | 30.5 | Very low | 103 Ų | 103 | 149.3 Ų | 149.3 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | -160.7 | 165.8 | 92 | 40.9 | -21.4 | 0 | 0 | 0 | 118.9 | |||||
| 820 | K | 25.6 | Very low | 30.4 | Very low | 200 Ų | 200 | 148.5 Ų | 148.5 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | trans | 80.2 | 151.4 | 140.8 | -82.9 | 166.6 | -177.9 | 176.9 | 0 | 122.9 | ||||
| 821 | E | 33.1 | Very low | 30.4 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -75.7 | 163.2 | 176.9 | -53.5 | 155.5 | 95.1 | 0 | 0 | 113 | ||||
| 822 | Y | 25.9 | Very low | 30.2 | Very low | 219 Ų | 219 | 143.3 Ų | 143.3 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | -146.2 | 176 | 140.5 | -118.7 | -82.1 | 0 | 0 | 0 | 111.9 | ||||
| 823 | Q | 28.4 | Very low | 30.2 | Very low | 172 Ų | 172 | 145 Ų | 145 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -86.2 | 165.7 | -151.2 | -65.6 | 165.7 | -40 | 0 | 0 | 116.6 | ||||
| 824 | N | 29.9 | Very low | 30.1 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -72.4 | 178.5 | 179.5 | -69.2 | -71.2 | 0 | 0 | 0 | 115.3 | ||||
| 825 | V | 28.4 | Very low | 30 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | trans | 107 | 127.9 | 146.8 | -176.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 826 | P | 36.1 | Very low | 29.9 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | cis | -138.4 | 159.8 | -34.2 | 37.7 | -19.6 | 0 | 0 | 0 | 113.8 | ||||
| 827 | V | 27.8 | Very low | 28.8 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | -138.2 | 144.2 | 165.2 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 828 | H | 28.2 | Very low | 28.9 | Very low | 187 Ų | 187 | 151 Ų | 151 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | trans | -60.8 | 141.3 | 176.2 | -86.1 | -95.6 | 0 | 0 | 0 | 112.8 | ||||
| 829 | G | 28.5 | Very low | 28.6 | Very low | 75 Ų | 75 | 154.9 Ų | 154.9 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | -81.7 | 138.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 830 | T | 29.1 | Very low | 28.1 | Very low | 141 Ų | 141 | 155.8 Ų | 155.8 | 87% | 0.865 | 83% | 0.833 | S | S | * | * | trans | -120.1 | 148.2 | 157.5 | 43.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 831 | S | 30.5 | Very low | 28.4 | Very low | 113 Ų | 113 | 154.9 Ų | 154.9 | 79% | 0.79 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 131.1 | -175.9 | 48.9 | 0 | 0 | 0 | 0 | 112 | ||
| 832 | G | 27.1 | Very low | 28.1 | Very low | 78 Ų | 78 | 154.6 Ų | 154.6 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 126.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 833 | E | 28.6 | Very low | 28.2 | Very low | 184 Ų | 184 | 152.3 Ų | 152.3 | 86% | 0.86 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 139.3 | 164.4 | -68.8 | -171.6 | 116.6 | 0 | 0 | 109.9 | ||
| 834 | Q | 29 | Very low | 28.2 | Very low | 195 Ų | 195 | 147.1 Ų | 147.1 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 119.3 | 174 | -67.7 | -178.9 | -69.9 | 0 | 0 | 109.7 | S836 | Q834-S836 PolarHBondContact O-N 3.47Š|
| 835 | V | 27.2 | Very low | 28.5 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 79% | 0.788 | 84% | 0.839 | S | S | * | * | trans | -72.6 | 113.3 | 170.4 | 178.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 836 | S | 24.9 | Very low | 28.4 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 84% | 0.836 | S | S | * | * | trans | -103.8 | 123.9 | 168.9 | 63.2 | 0 | 0 | 0 | 0 | 110 | Q834 | Q834-S836 PolarHBondContact O-N 3.47Š| ||
| 837 | F | 23.6 | Very low | 28 | Very low | 206 Ų | 206 | 150.4 Ų | 150.4 | 90% | 0.904 | 85% | 0.848 | S | S | * | * | trans | -65.6 | 144.9 | 174.4 | -70.2 | -95.8 | 0 | 0 | 0 | 111.3 | ||||
| 838 | R | 25.9 | Very low | 28.1 | Very low | 230 Ų | 230 | 147 Ų | 147 | 87% | 0.868 | 84% | 0.842 | S | S | * | * | trans | -138.6 | 129.8 | 174.3 | -171 | 179.4 | -173.1 | -173.5 | 1.4 | 108.9 | ||||
| 839 | E | 27.2 | Very low | 28 | Very low | 190 Ų | 190 | 147.1 Ų | 147.1 | 89% | 0.888 | 84% | 0.844 | S | S | * | * | trans | -71.2 | 142.2 | 178.8 | -63.6 | 167.2 | 118 | 0 | 0 | 111.1 | ||||
| 840 | C | 25.9 | Very low | 28.1 | Very low | 123 Ų | 123 | 151.5 Ų | 151.5 | 83% | 0.831 | 85% | 0.848 | S | S | * | * | trans | -112.3 | 127.3 | 172.2 | -73.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 841 | L | 30.2 | Very low | 28 | Very low | 181 Ų | 181 | 151 Ų | 151 | 95% | 0.948 | 85% | 0.849 | S | S | * | * | trans | -77.4 | 144 | 169.6 | -77.5 | 160.6 | 0 | 0 | 0 | 110 | ||||
| 842 | N | 28.4 | Very low | 28.1 | Very low | 168 Ų | 168 | 152.7 Ų | 152.7 | 90% | 0.898 | 85% | 0.848 | S | S | * | * | trans | -73.9 | 126.1 | 178.7 | -78.3 | -34.2 | 0 | 0 | 0 | 111.9 | ||||
| 843 | D | 27.8 | Very low | 28.2 | Very low | 170 Ų | 170 | 155.5 Ų | 155.5 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | trans | -151.4 | 147.8 | 133.2 | -131.3 | -21.6 | 0 | 0 | 0 | 108.6 | ||||
| 844 | G | 28.6 | Very low | 28.7 | Very low | 63 Ų | 63 | 157.1 Ų | 157.1 | 65% | 0.649 | 84% | 0.842 | S | S | * | * | trans | -124.7 | -164.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 845 | P | 35.5 | Very low | 29 | Very low | 138 Ų | 138 | 153.8 Ų | 153.8 | 90% | 0.896 | 83% | 0.831 | S | S | * | * | cis | -132.1 | 155.9 | -11 | 39 | -24.2 | 0 | 0 | 0 | 114.4 | ||||
| 846 | G | 25.5 | Very low | 29.4 | Very low | 71 Ų | 71 | 154.1 Ų | 154.1 | 73% | 0.732 | 83% | 0.828 | S | S | * | * | trans | 152.2 | 98.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 847 | R | 28.1 | Very low | 30.3 | Very low | 261 Ų | 261 | 155.9 Ų | 155.9 | 99% | 0.985 | 82% | 0.822 | S | S | * | * | trans | 57.4 | 129.1 | 170.7 | -65.2 | -179.3 | 170.7 | -170.1 | -3.4 | 116.3 | ||||
| 848 | G | 29.5 | Very low | 31 | Very low | 76 Ų | 76 | 151.2 Ų | 151.2 | 78% | 0.784 | 81% | 0.813 | S | S | * | * | cis | 151.7 | 105.6 | -3.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 849 | E | 27.7 | Very low | 31.5 | Very low | 191 Ų | 191 | 148 Ų | 148 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | trans | -129.5 | 172.7 | -176.7 | -75.3 | -168.4 | 131.8 | 0 | 0 | 112.9 | ||||
| 850 | L | 29.3 | Very low | 32.4 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67 | 136.2 | -165.2 | -80.9 | 62.6 | 0 | 0 | 0 | 113.4 | ||
| 851 | C | 26.8 | Very low | 32.9 | Very low | 129 Ų | 129 | 149 Ų | 149 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 131.2 | 161.8 | -62.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 852 | I | 32.8 | Very low | 33.4 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 139.7 | 165.8 | -65.5 | 171.6 | 0 | 0 | 0 | 108.2 | ||
| 853 | L | 30.1 | Very low | 33.9 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 142.6 | -176 | -154.6 | 69.6 | 0 | 0 | 0 | 111 | D855 | L853-D855 WeakPolarHBondContact CD2-OD2 3.37Å; L853-D855 WeakPolarHBondContact CG-OD2 3.19Å |
| 854 | W | 38.2 | Very low | 34.4 | Very low | 217 Ų | 217 | 139.9 Ų | 139.9 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -100.3 | 30.6 | -167.6 | -94.4 | 72.4 | 0 | 0 | 0 | 114.6 | ||||
| 855 | D | 36.5 | Very low | 34.6 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 67% | 0.674 | 78% | 0.783 | S | S | * | * | trans | -90.4 | -15.6 | -172 | -71.8 | -53.5 | 0 | 0 | 0 | 115.3 | L853 F857 | L853-D855 WeakPolarHBondContact CD2-OD2 3.37Å; L853-D855 WeakPolarHBondContact CG-OD2 3.19Å; D855-F857 PolarHBondContact O-N 3.44Å | ||
| 856 | D | 35.4 | Very low | 34.3 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -81.5 | -2.4 | -170.9 | -70.1 | -38.1 | 0 | 0 | 0 | 116 | P858 | D856-P858 WeakPolarHBondContact O-CD 3.28Š|
| 857 | F | 42.8 | Very low | 34.5 | Very low | 143 Ų | 143 | 150.1 Ų | 150.1 | 63% | 0.627 | 79% | 0.785 | S | S | * | * | trans | -126 | 68.8 | -170 | -66.5 | -78.6 | 0 | 0 | 0 | 114.9 | D855 L859 L860 | D855-F857 PolarHBondContact O-N 3.44Å; F857-L859 VanDerWaalsContact C-N 3.27Å; F857-L859 PolarHBondContact O-N 3.4Å; F857-L860 HydrophobicContact CB-CD1 4.3Å; F857-L860 PolarHBondContact O-N 2.96Å | ||
| 858 | P | 39.3 | Very low | 34.6 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -62 | -27.7 | -176.5 | 23.8 | -34.1 | 0 | 0 | 0 | 114.6 | D856 L860 | D856-P858 WeakPolarHBondContact O-CD 3.28Å; P858-L860 VanDerWaalsContact C-N 3.35Å; P858-L860 PolarHBondContact O-N 2.81Å |
| 859 | L | 36.7 | Very low | 34.7 | Very low | 163 Ų | 163 | 151.4 Ų | 151.4 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -69.4 | -26.2 | -176.7 | -121.6 | 79.3 | 0 | 0 | 0 | 114.3 | F857 R861 | F857-L859 VanDerWaalsContact C-N 3.27Å; F857-L859 PolarHBondContact O-N 3.4Å; L859-R861 VanDerWaalsContact C-N 3.31Å; L859-R861 PolarHBondContact O-N 2.76Å |
| 860 | L | 45 | Very low | 34.9 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 57% | 0.565 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -81.7 | -10 | -176.1 | -71 | 172.1 | 0 | 0 | 0 | 113.3 | F857 P858 A862 | F857-L860 HydrophobicContact CB-CD1 4.3Å; F857-L860 PolarHBondContact O-N 2.96Å; P858-L860 VanDerWaalsContact C-N 3.35Å; P858-L860 PolarHBondContact O-N 2.81Å; L860-A862 PolarHBondContact O-N 2.93Å |
| 861 | R | 36.7 | Very low | 35.1 | Very low | 226 Ų | 226 | 148.5 Ų | 148.5 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -70.6 | -14.4 | -177.2 | -148.5 | 175.3 | -166.7 | 164 | 7 | 113.9 | L859 | L859-R861 VanDerWaalsContact C-N 3.31Å; L859-R861 PolarHBondContact O-N 2.76Å |
| 862 | A | 40.4 | Very low | 35.7 | Very low | 92 Ų | 92 | 152.6 Ų | 152.6 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -84.3 | -8.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L860 | L860-A862 PolarHBondContact O-N 2.93Š|
| 863 | L | 38.7 | Very low | 35.8 | Very low | 155 Ų | 155 | 152.7 Ų | 152.7 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -101.7 | 11.1 | -173.5 | -68 | 172.3 | 0 | 0 | 0 | 114.3 | ||
| 864 | A | 39.9 | Very low | 36.1 | Very low | 81 Ų | 81 | 153.5 Ų | 153.5 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | trans | -120.5 | 49.9 | -164.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 865 | M | 31.1 | Very low | 36 | Very low | 173 Ų | 173 | 150 Ų | 150 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | -150 | 111.9 | 161.1 | -79.8 | -158 | 177.4 | 0 | 0 | 112.9 | ||||
| 866 | N | 30.1 | Very low | 36 | Very low | 148 Ų | 148 | 151.4 Ų | 151.4 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | 159 | 103.1 | 122.7 | -83.6 | -25.3 | 0 | 0 | 0 | 111.1 | |||||
| 867 | D | 28.5 | Very low | 36 | Very low | 165 Ų | 165 | 152.3 Ų | 152.3 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -142.4 | 85.2 | 162 | -154 | -4.3 | 0 | 0 | 0 | 108.8 | R869 | D867-R869 PolarHBondContact O-N 3.29Š| ||
| 868 | V | 31.3 | Very low | 35.5 | Very low | 128 Ų | 128 | 152.9 Ų | 152.9 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -92.6 | 103.4 | -172.8 | 177.7 | 0 | 0 | 0 | 0 | 109.5 | S870 | V868-S870 PolarHBondContact O-N 2.76Š| ||
| 869 | R | 31.3 | Very low | 35.3 | Very low | 236 Ų | 236 | 156.2 Ų | 156.2 | 89% | 0.891 | 83% | 0.834 | S | S | * | * | trans | -82.5 | 100.8 | -177.6 | -157.1 | -178.2 | -147 | 170 | 8.1 | 111.3 | D867 | D867-R869 PolarHBondContact O-N 3.29Š| ||
| 870 | S | 31.6 | Very low | 35.2 | Very low | 112 Ų | 112 | 155.7 Ų | 155.7 | 78% | 0.783 | 83% | 0.832 | S | S | * | * | trans | -69.6 | 137.4 | 172.8 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | V868 | V868-S870 PolarHBondContact O-N 2.76Š| ||
| 871 | Q | 34.7 | Very low | 34.3 | Very low | 185 Ų | 185 | 159.7 Ų | 159.7 | 86% | 0.864 | 85% | 0.854 | S | S | * | * | trans | -110.6 | 114.4 | 171.9 | -72.7 | -177.2 | -24.4 | 0 | 0 | 110.4 | ||||
| 872 | T | 37.8 | Very low | 34.1 | Very low | 215 Ų | 215 | 153.6 Ų | 153.6 | 100% | 1.319 | 86% | 0.855 | S | S | * | * | trans | -157.3 | 0 | 149.2 | 49.8 | 0 | 0 | 0 | 0 | 108 |
Retrieved 872 of 872 residues in 522.3 ms
(Link to these results)