| 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 | 46.5 | Very low | 52.7 | Low | 238 Ų | 238 | 131.6 Ų | 131.6 | 100% | 1.172 | 66% | 0.664 | S | S | * | * | 0 | 96.3 | 0 | 9.8 | 170.3 | 71.9 | 0 | 0 | 106.2 | |||||
| 2 | D | 51.5 | Low | 52.8 | Low | 112 Ų | 112 | 132.5 Ų | 132.5 | 60% | 0.599 | 67% | 0.67 | S | S | * | * | trans | -66.4 | 127 | -163.6 | -98.3 | -95.7 | 0 | 0 | 0 | 113.4 | K4 L5 | D2-K4 HydrophobicContact CB-CB 4.5Å; D2-K4 PolarHBondContact O-N 3.09Å; D2-K4 VanDerWaalsContact O-N 3.09Å; D2-L5 HydrophobicContact CB-CB 4.5Å; D2-L5 WeakPolarHBondContact O-CB 3.42Å; D2-L5 PolarHBondContact O-N 2.75Å | ||
| 3 | T | 52.1 | Low | 52.6 | Low | 127 Ų | 127 | 130.5 Ų | 130.5 | 78% | 0.779 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -56.1 | -24 | 171.8 | -11.3 | 0 | 0 | 0 | 0 | 112.3 | C7 | T3-C7 PolarHBondContact O-N 3.22Å |
| 4 | K | 53.8 | Low | 52.7 | Low | 163 Ų | 163 | 129 Ų | 129 | 71% | 0.709 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.3 | -36.1 | 171.8 | -81 | -179.7 | 171.1 | 174.7 | 0 | 113.1 | D2 C7 L8 | D2-K4 HydrophobicContact CB-CB 4.5Å; D2-K4 PolarHBondContact O-N 3.09Å; D2-K4 VanDerWaalsContact O-N 3.09Å; K4-C7 PolarHBondContact O-N 2.99Å; K4-L8 PolarHBondContact O-N 2.85Å |
| 5 | L | 55 | Low | 52.7 | Low | 108 Ų | 108 | 127.4 Ų | 127.4 | 57% | 0.565 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -73.8 | -32.8 | -178.7 | -167.8 | 64.3 | 0 | 0 | 0 | 111.8 | D2 L9 | D2-L5 HydrophobicContact CB-CB 4.5Å; D2-L5 WeakPolarHBondContact O-CB 3.42Å; D2-L5 PolarHBondContact O-N 2.75Å; L5-L9 PolarHBondContact O-N 3.38Å |
| 6 | M | 55.7 | Low | 52.6 | Low | 121 Ų | 121 | 129.4 Ų | 129.4 | 60% | 0.596 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -69.3 | -35.7 | 174 | -73.7 | -63.9 | 125.5 | 0 | 0 | 112.8 | L9 F10 | M6-L9 HydrophobicContact CE-CD1 3.99Å; M6-L9 PolarHBondContact O-N 3.24Å; M6-F10 PolarHBondContact O-N 2.98Å |
| 7 | C | 53.1 | Low | 52.4 | Low | 69 Ų | 69 | 131 Ų | 131 | 47% | 0.466 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -68.9 | -41.3 | 177.8 | -150.9 | 0 | 0 | 0 | 0 | 111.4 | T3 K4 L9 F10 F11 | T3-C7 PolarHBondContact O-N 3.22Å; K4-C7 PolarHBondContact O-N 2.99Å; C7-L9 PolarHBondContact O-N 3.47Å; C7-F10 WeakPolarHBondContact O-CB 3.19Å; C7-F10 PolarHBondContact O-N 3.29Å; C7-F10 VanDerWaalsContact O-N 3.14Å; C7-F11 WeakPolarHBondContact O-CD2 3.31Å; C7-F11 PolarHBondContact O-N 2.77Å |
| 8 | L | 53.7 | Low | 52.1 | Low | 112 Ų | 112 | 132.3 Ų | 132.3 | 59% | 0.586 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -61.9 | -39.4 | 175.4 | -90.9 | 150.4 | 0 | 0 | 0 | 112.9 | K4 F10 F11 L12 | K4-L8 PolarHBondContact O-N 2.85Å; L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 PolarHBondContact O-N 2.83Å; L8-F11 PolarHBondContact O-N 3.04Å; L8-L12 WeakPolarHBondContact O-CD1 3.35Å; L8-L12 PolarHBondContact O-N 3.11Å |
| 9 | L | 54.1 | Low | 51.9 | Low | 95 Ų | 95 | 132.4 Ų | 132.4 | 50% | 0.497 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -66.8 | -31.5 | 174 | -79.6 | 160.5 | 0 | 0 | 0 | 112.5 | L5 M6 C7 L12 C13 | L5-L9 PolarHBondContact O-N 3.38Å; M6-L9 HydrophobicContact CE-CD1 3.99Å; M6-L9 PolarHBondContact O-N 3.24Å; C7-L9 PolarHBondContact O-N 3.47Å; L9-L12 PolarHBondContact O-N 3.49Å; L9-C13 PolarHBondContact O-N 3.43Å |
| 10 | F | 51.7 | Low | 51.7 | Low | 153 Ų | 153 | 128.8 Ų | 128.8 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -68.7 | -38.7 | 176.4 | -127.2 | -91.4 | 0 | 0 | 0 | 112.5 | M6 C7 L8 L12 C13 L14 | M6-F10 PolarHBondContact O-N 2.98Å; C7-F10 WeakPolarHBondContact O-CB 3.19Å; C7-F10 PolarHBondContact O-N 3.29Å; C7-F10 VanDerWaalsContact O-N 3.14Å; L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 PolarHBondContact O-N 2.83Å; F10-L12 VanDerWaalsContact C-N 3.33Å; F10-L12 PolarHBondContact O-N 2.87Å; F10-C13 PolarHBondContact O-N 2.81Å; F10-L14 VanDerWaalsContact O-CD1 3.3Å; F10-L14 WeakPolarHBondContact O-CD1 3.49Å; F10-L14 PolarHBondContact O-N 2.84Å |
| 11 | F | 52.4 | Low | 51.7 | Low | 150 Ų | 150 | 129 Ų | 129 | 66% | 0.658 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.4 | -27.3 | 175.9 | -75.4 | -73 | 0 | 0 | 0 | 113.6 | C7 L8 C13 | C7-F11 WeakPolarHBondContact O-CD2 3.31Å; C7-F11 PolarHBondContact O-N 2.77Å; L8-F11 PolarHBondContact O-N 3.04Å; F11-C13 VanDerWaalsContact C-N 3.3Å |
| 12 | L | 54 | Low | 52.2 | Low | 142 Ų | 142 | 124.6 Ų | 124.6 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -77 | -15.5 | 174.6 | -79.7 | 155.5 | 0 | 0 | 0 | 113.3 | L8 L9 F10 | L8-L12 WeakPolarHBondContact O-CD1 3.35Å; L8-L12 PolarHBondContact O-N 3.11Å; L9-L12 PolarHBondContact O-N 3.49Å; F10-L12 VanDerWaalsContact C-N 3.33Å; F10-L12 PolarHBondContact O-N 2.87Å |
| 13 | C | 50.4 | Low | 52.5 | Low | 107 Ų | 107 | 124.4 Ų | 124.4 | 72% | 0.723 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -102.1 | -4.4 | -177.8 | -132.9 | 0 | 0 | 0 | 0 | 113.7 | L9 F10 F11 P15 | L9-C13 PolarHBondContact O-N 3.43Å; F10-C13 PolarHBondContact O-N 2.81Å; F11-C13 VanDerWaalsContact C-N 3.3Å; C13-P15 WeakPolarHBondContact O-CD 3.45Å |
| 14 | L | 53.6 | Low | 53 | Low | 109 Ų | 109 | 121.1 Ų | 121.1 | 57% | 0.571 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -68.3 | 119.9 | 165.3 | -92.5 | 82 | 0 | 0 | 0 | 107 | F10 L16 | F10-L14 VanDerWaalsContact O-CD1 3.3Å; F10-L14 WeakPolarHBondContact O-CD1 3.49Å; F10-L14 PolarHBondContact O-N 2.84Å; L14-L16 PolarHBondContact O-N 3.39Å |
| 15 | P | 53.1 | Low | 53.6 | Low | 105 Ų | 105 | 121.9 Ų | 121.9 | 68% | 0.682 | 66% | 0.656 | S | S | * | * | trans | -56.9 | 124.6 | 173.2 | 24.8 | -30 | 0 | 0 | 0 | 105.9 | C13 L17 | C13-P15 WeakPolarHBondContact O-CD 3.45Å; P15-L17 VanDerWaalsContact C-N 3.26Å; P15-L17 PolarHBondContact O-N 3.36Å | ||
| 16 | L | 51.5 | Low | 54.4 | Low | 160 Ų | 160 | 120.4 Ų | 120.4 | 84% | 0.838 | 65% | 0.648 | S | S | * | * | trans | -46.6 | 106.9 | 160.8 | -107.6 | 75.8 | 0 | 0 | 0 | 104.4 | L14 L18 | L14-L16 PolarHBondContact O-N 3.39Å; L16-L18 PolarHBondContact O-N 2.89Å | ||
| 17 | L | 48.6 | Very low | 55.1 | Low | 156 Ų | 156 | 121.5 Ų | 121.5 | 82% | 0.817 | 65% | 0.649 | S | S | * | * | trans | -62.2 | 92.5 | 166.7 | -74.3 | 165.4 | 0 | 0 | 0 | 103 | P15 V19 | P15-L17 VanDerWaalsContact C-N 3.26Å; P15-L17 PolarHBondContact O-N 3.36Å; L17-V19 PolarHBondContact O-N 3.49Å | ||
| 18 | L | 47.3 | Very low | 56.2 | Low | 155 Ų | 155 | 122.6 Ų | 122.6 | 81% | 0.812 | 65% | 0.654 | S | S | * | * | trans | -55.8 | 91.9 | 159.7 | -81.6 | 161.2 | 0 | 0 | 0 | 103.2 | L16 S20 | L16-L18 PolarHBondContact O-N 2.89Å; L18-S20 PolarHBondContact O-N 3.39Å | ||
| 19 | V | 47.2 | Very low | 57.4 | Low | 133 Ų | 133 | 119.8 Ų | 119.8 | 81% | 0.806 | 64% | 0.641 | S | S | * | * | trans | -64.5 | 82.4 | 161.6 | 177.4 | 0 | 0 | 0 | 0 | 103.1 | L17 N21 | L17-V19 PolarHBondContact O-N 3.49Å; V19-N21 PolarHBondContact O-N 2.75Å | ||
| 20 | S | 48.7 | Very low | 58.6 | Low | 60 Ų | 60 | 121.6 Ų | 121.6 | 42% | 0.42 | 65% | 0.645 | S | S | . | * | trans | -64.3 | 110.3 | 180 | 175.3 | 0 | 0 | 0 | 0 | 105 | L18 H22 | L18-S20 PolarHBondContact O-N 3.39Å; S20-H22 WeakPolarHBondContact CB-NE2 3.38Å; S20-H22 PolarHBondContact O-CD2 2.84Å; S20-H22 PolarHBondContact O-N 2.85Å; S20-H22 PolarHBondContact OG-CD2 2.9Å; S20-H22 VanDerWaalsContact OG-CD2 3.24Å; S20-H22 PolarHBondContact OG-CE1 2.97Å; S20-H22 PolarHBondContact OG-ND1 2.91Å; S20-H22 VanDerWaalsContact OG-ND1 3.12Å; S20-H22 PolarHBondContact OG-NE2 3.01Å | ||
| 21 | N | 52.2 | Low | 60 | Low | 133 Ų | 133 | 116.7 Ų | 116.7 | 71% | 0.711 | 63% | 0.628 | S | S | * | * | trans | -76.7 | 68.9 | -178 | -162.1 | -29.4 | 0 | 0 | 0 | 107.7 | V19 T23 | V19-N21 PolarHBondContact O-N 2.75Å; N21-T23 PolarHBondContact O-N 3.22Å | ||
| 22 | H | 56.1 | Low | 61.3 | Low | 147 Ų | 147 | 112.4 Ų | 112.4 | 68% | 0.681 | 62% | 0.615 | S | S | * | * | trans | -76.7 | 70.5 | 172 | -42.6 | -92 | 0 | 0 | 0 | 107.6 | S20 G24 | S20-H22 WeakPolarHBondContact CB-NE2 3.38Å; S20-H22 PolarHBondContact O-CD2 2.84Å; S20-H22 PolarHBondContact O-N 2.85Å; S20-H22 PolarHBondContact OG-CD2 2.9Å; S20-H22 VanDerWaalsContact OG-CD2 3.24Å; S20-H22 PolarHBondContact OG-CE1 2.97Å; S20-H22 PolarHBondContact OG-ND1 2.91Å; S20-H22 VanDerWaalsContact OG-ND1 3.12Å; S20-H22 PolarHBondContact OG-NE2 3.01Å; H22-G24 PolarHBondContact O-N 2.69Å | ||
| 23 | T | 58 | Low | 62.7 | Low | 107 Ų | 107 | 108.9 Ų | 108.9 | 66% | 0.656 | 60% | 0.603 | S | S | * | * | trans | -63.7 | 87.5 | 155.1 | 46.3 | 0 | 0 | 0 | 0 | 106.2 | N21 R25 | N21-T23 PolarHBondContact O-N 3.22Å; T23-R25 PolarHBondContact O-N 2.92Å; T23-R25 VanDerWaalsContact O-N 3.12Å | ||
| 24 | G | 62.3 | Low | 64.2 | Low | 59 Ų | 59 | 109.1 Ų | 109.1 | 61% | 0.608 | 60% | 0.596 | S | S | * | * | trans | -60.1 | 115.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | H22 | H22-G24 PolarHBondContact O-N 2.69Š| ||
| 25 | R | 66.9 | Low | 65.5 | Low | 178 Ų | 178 | 107.8 Ų | 107.8 | 67% | 0.672 | 59% | 0.594 | S | S | * | * | trans | -81.6 | 128.6 | 172.9 | -60.8 | 178.6 | 175.8 | -110.4 | -0.8 | 107.9 | T23 E59 | T23-R25 PolarHBondContact O-N 2.92Å; T23-R25 VanDerWaalsContact O-N 3.12Å; R25-E59 WeakPolarHBondContact CB-OE2 3.26Å; R25-E59 WeakPolarHBondContact CD-OE2 2.92Å; R25-E59 PolarHBondContact O-N 3.1Å | ||
| 26 | I | 70.9 | Confident | 67.2 | Low | 77 Ų | 77 | 109.7 Ų | 109.7 | 40% | 0.395 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.3 | 125.8 | 179.5 | -58.3 | 171.4 | 0 | 0 | 0 | 107.6 | L56 L67 | I26-L56 HydrophobicContact CG2-CB 3.87Å; I26-L56 HydrophobicContact CG2-CD1 4.49Å; I26-L56 HydrophobicContact CG2-CD2 3.95Å; I26-L56 HydrophobicContact CG2-CG 4.32Å; I26-L67 HydrophobicContact CD1-CD2 4.45Å |
| 27 | K | 71.4 | Confident | 69.1 | Low | 144 Ų | 144 | 106.3 Ų | 106.3 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.5 | 122.5 | 170.7 | -174.7 | 175.9 | -179.7 | 177.9 | 0 | 109.2 | V29 I57 | K27-V29 HydrophobicContact CG-CG2 4.43Å; K27-I57 HydrophobicContact CB-CB 4.41Å; K27-I57 PolarHBondContact N-O 2.95Å; K27-I57 PolarHBondContact O-N 2.81Å |
| 28 | V | 75.4 | Confident | 71 | Confident | 93 Ų | 93 | 102 Ų | 102 | 56% | 0.564 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 117.7 | 175.5 | -170.1 | 0 | 0 | 0 | 0 | 108.7 | T54 L56 | V28-T54 HydrophobicContact CG1-CG2 3.64Å; V28-L56 HydrophobicContact CB-CD2 4.09Å; V28-L56 HydrophobicContact CG1-CD2 3.91Å; V28-L56 HydrophobicContact CG2-CD2 3.63Å |
| 29 | V | 80 | Confident | 73 | Confident | 52 Ų | 52 | 98 Ų | 98 | 32% | 0.315 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 102.8 | 174.6 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | K27 T31 T54 T55 I57 | K27-V29 HydrophobicContact CG-CG2 4.43Å; V29-T31 HydrophobicContact CG1-CG2 4.46Å; V29-T54 CarbonylContact O-C 3.51Å; V29-T54 VanDerWaalsContact O-CA 3.27Å; V29-T54 WeakPolarHBondContact O-CA 3.4Å; V29-T54 WeakPolarHBondContact O-CG2 3.03Å; V29-T55 PolarHBondContact N-O 3.32Å; V29-T55 PolarHBondContact O-N 3.04Å; V29-I57 HydrophobicContact CG2-CD1 3.67Å; V29-I57 HydrophobicContact CG2-CG1 4.42Å |
| 30 | F | 79.6 | Confident | 75.2 | Confident | 134 Ų | 134 | 96.2 Ų | 96.2 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | trans | -91.6 | 120.8 | -178.8 | -172.8 | -110.9 | 0 | 0 | 0 | 110.9 | P32 T54 | F30-P32 HydrophobicContact CD1-CB 4.26Å; F30-P32 HydrophobicContact CD1-CG 3.89Å; F30-P32 HydrophobicContact CE1-CB 3.46Å; F30-P32 VanDerWaalsContact CE1-CB 3.46Å; F30-P32 HydrophobicContact CE1-CG 3.43Å; F30-P32 VanDerWaalsContact CE1-CG 3.43Å; F30-P32 HydrophobicContact CZ-CB 3.65Å; F30-P32 HydrophobicContact CZ-CG 4.16Å; F30-T54 HydrophobicContact CB-CG2 4.5Å; F30-T54 HydrophobicContact CD2-CG2 4.11Å; F30-T54 VanDerWaalsContact CD2-OG1 3.22Å; F30-T54 WeakPolarHBondContact CD2-OG1 3.34Å | ||
| 31 | T | 81.3 | Confident | 77.2 | Confident | 49 Ų | 49 | 104.1 Ų | 104.1 | 30% | 0.301 | 56% | 0.559 | S | S | . | * | trans | -126.4 | 80.5 | 176.3 | 49 | 0 | 0 | 0 | 0 | 110.1 | V29 G51 N52 T53 | V29-T31 HydrophobicContact CG1-CG2 4.46Å; T31-G51 CarbonylContact O-C 3.5Å; T31-G51 WeakPolarHBondContact O-CA 3.43Å; T31-N52 PolarHBondContact O-N 2.84Å; T31-N52 VanDerWaalsContact OG1-C 3.25Å; T31-N52 WeakPolarHBondContact OG1-CA 3.49Å; T31-N52 WeakPolarHBondContact OG1-CB 3.37Å; T31-N52 PolarHBondContact OG1-N 2.81Å; T31-N52 PolarHBondContact OG1-O 2.04Å; T31-T53 PolarHBondContact OG1-O 2.82Å | ||
| 32 | P | 78.8 | Confident | 78.9 | Confident | 61 Ų | 61 | 101.5 Ų | 101.5 | 40% | 0.396 | 56% | 0.562 | S | S | . | * | trans | -69.6 | 157.5 | -173.8 | 28.1 | -32.1 | 0 | 0 | 0 | 112.2 | F30 G51 | F30-P32 HydrophobicContact CD1-CB 4.26Å; F30-P32 HydrophobicContact CD1-CG 3.89Å; F30-P32 HydrophobicContact CE1-CB 3.46Å; F30-P32 VanDerWaalsContact CE1-CB 3.46Å; F30-P32 HydrophobicContact CE1-CG 3.43Å; F30-P32 VanDerWaalsContact CE1-CG 3.43Å; F30-P32 HydrophobicContact CZ-CB 3.65Å; F30-P32 HydrophobicContact CZ-CG 4.16Å; P32-G51 WeakPolarHBondContact O-CA 3.39Å | ||
| 33 | S | 83.4 | Confident | 80.3 | Confident | 68 Ų | 68 | 99.9 Ų | 99.9 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | trans | -72.7 | 129.6 | 165.9 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | Q49 G51 | S33-Q49 WeakPolarHBondContact CA-O 3.02Å; S33-G51 PolarHBondContact OG-N 3Å; S33-G51 VanDerWaalsContact OG-N 3.17Å | ||
| 34 | I | 82.4 | Confident | 81.7 | Confident | 112 Ų | 112 | 98.3 Ų | 98.3 | 57% | 0.574 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.2 | -179 | -57.8 | 175.8 | 0 | 0 | 0 | 108.2 | C48 Q49 | I34-C48 CarbonylContact O-C 3.43Å; I34-C48 WeakPolarHBondContact O-CA 3.09Å; I34-Q49 PolarHBondContact N-O 3.09Å; I34-Q49 PolarHBondContact O-N 3.45Å |
| 35 | C | 80.5 | Confident | 83 | Confident | 80 Ų | 80 | 102.2 Ų | 102.2 | 54% | 0.541 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.9 | 131.9 | 176.6 | -71.1 | 0 | 0 | 0 | 0 | 110.9 | C48 | C35-C48 HydrophobicContact CB-CB 4.11Å; C35-C48 WeakPolarHBondContact CB-SG 3.26Å; C35-C48 WeakPolarHBondContact SG-CB 3.27Å; C35-C48 CovalentContact SG-SG 2.04Å; C35-C48 PolarHBondContact SG-SG 3.35Å |
| 36 | K | 88.6 | Confident | 83.8 | Confident | 145 Ų | 145 | 99.2 Ų | 99.2 | 63% | 0.63 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.8 | 173.1 | -176.6 | 176.5 | 178.5 | 177.8 | 0 | 109.3 | S47 | K36-S47 PolarHBondContact N-O 2.96Å; K36-S47 PolarHBondContact O-N 2.74Å |
| 37 | V | 91.1 | Very high | 84.6 | Confident | 89 Ų | 89 | 99 Ų | 99 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 121.6 | 172 | -171.5 | 0 | 0 | 0 | 0 | 107.9 | N46 | V37-N46 WeakPolarHBondContact CG2-OD1 3.29Å |
| 38 | T | 89.6 | Confident | 85.3 | Confident | 65 Ų | 65 | 95.6 Ų | 95.6 | 40% | 0.399 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 117.2 | 174.7 | -53.3 | 0 | 0 | 0 | 0 | 108.2 | C44 Q45 | T38-C44 WeakPolarHBondContact O-CA 3.42Å; T38-Q45 PolarHBondContact N-O 3.2Å; T38-Q45 PolarHBondContact O-N 3.2Å |
| 39 | C | 89.3 | Confident | 86 | Confident | 71 Ų | 71 | 98.2 Ų | 98.2 | 48% | 0.48 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.7 | 177.5 | -61.7 | 0 | 0 | 0 | 0 | 110.5 | N43 C44 | C39-N43 CarbonylContact C-O 3.58Å; C39-N43 VanDerWaalsContact CA-O 3.26Å; C39-N43 WeakPolarHBondContact CA-O 3.38Å; C39-C44 HydrophobicContact CB-CB 4.14Å; C39-C44 WeakPolarHBondContact CB-SG 3.38Å; C39-C44 WeakPolarHBondContact SG-CB 3.45Å; C39-C44 CovalentContact SG-SG 2.04Å; C39-C44 PolarHBondContact SG-SG 3.29Å |
| 40 | T | 93.4 | Very high | 86 | Confident | 97 Ų | 97 | 105 Ų | 105 | 60% | 0.595 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.1 | 175.2 | 45.4 | 0 | 0 | 0 | 0 | 109.7 | G42 N43 | T40-G42 PolarHBondContact O-N 2.04Å; T40-G42 VanDerWaalsContact O-N 3.11Å; T40-N43 PolarHBondContact N-O 2.94Å; T40-N43 PolarHBondContact O-N 2.83Å |
| 41 | K | 89.8 | Confident | 85.8 | Confident | 226 Ų | 226 | 99.4 Ų | 99.4 | 98% | 0.983 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47.8 | 41 | 179.3 | -62.5 | -177.9 | 177.3 | 179.7 | 0 | 114 | N43 | K41-N43 VanDerWaalsContact C-N 3.31Å; K41-N43 PolarHBondContact O-N 2.86Å |
| 42 | G | 87.4 | Confident | 85.6 | Confident | 77 Ų | 77 | 103.1 Ų | 103.1 | 79% | 0.794 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.2 | -3.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | T40 | T40-G42 PolarHBondContact O-N 2.04Å; T40-G42 VanDerWaalsContact O-N 3.11Å |
| 43 | N | 85.9 | Confident | 85.2 | Confident | 114 Ų | 114 | 102.3 Ų | 102.3 | 61% | 0.61 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.2 | 118.8 | 169.2 | -165.2 | -43 | 0 | 0 | 0 | 109.4 | C39 T40 K41 | C39-N43 CarbonylContact C-O 3.58Å; C39-N43 VanDerWaalsContact CA-O 3.26Å; C39-N43 WeakPolarHBondContact CA-O 3.38Å; T40-N43 PolarHBondContact N-O 2.94Å; T40-N43 PolarHBondContact O-N 2.83Å; K41-N43 VanDerWaalsContact C-N 3.31Å; K41-N43 PolarHBondContact O-N 2.86Å |
| 44 | C | 86.7 | Confident | 84.7 | Confident | 73 Ų | 73 | 99.5 Ų | 99.5 | 49% | 0.493 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.5 | 127.3 | -179.9 | -67.8 | 0 | 0 | 0 | 0 | 110.3 | T38 C39 | T38-C44 WeakPolarHBondContact O-CA 3.42Å; C39-C44 HydrophobicContact CB-CB 4.14Å; C39-C44 WeakPolarHBondContact CB-SG 3.38Å; C39-C44 WeakPolarHBondContact SG-CB 3.45Å; C39-C44 CovalentContact SG-SG 2.04Å; C39-C44 PolarHBondContact SG-SG 3.29Å |
| 45 | Q | 91.6 | Very high | 84.1 | Confident | 142 Ų | 142 | 96.6 Ų | 96.6 | 66% | 0.664 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 131.2 | 174.7 | -166.5 | 173.7 | 33.4 | 0 | 0 | 110.4 | T38 | T38-Q45 PolarHBondContact N-O 3.2Å; T38-Q45 PolarHBondContact O-N 3.2Å |
| 46 | N | 83.5 | Confident | 83.6 | Confident | 115 Ų | 115 | 93.8 Ų | 93.8 | 62% | 0.615 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 117.5 | 171.4 | -62.1 | -34.2 | 0 | 0 | 0 | 108.5 | V37 | V37-N46 WeakPolarHBondContact CG2-OD1 3.29Å |
| 47 | S | 87.8 | Confident | 82.6 | Confident | 71 Ų | 71 | 89.6 Ų | 89.6 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 114.5 | 170.8 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | K36 | K36-S47 PolarHBondContact N-O 2.96Å; K36-S47 PolarHBondContact O-N 2.74Å |
| 48 | C | 85.9 | Confident | 81.3 | Confident | 73 Ų | 73 | 87 Ų | 87 | 49% | 0.493 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127.2 | -177.5 | -63 | 0 | 0 | 0 | 0 | 110.8 | I34 C35 | I34-C48 CarbonylContact O-C 3.43Å; I34-C48 WeakPolarHBondContact O-CA 3.09Å; C35-C48 HydrophobicContact CB-CB 4.11Å; C35-C48 WeakPolarHBondContact CB-SG 3.26Å; C35-C48 WeakPolarHBondContact SG-CB 3.27Å; C35-C48 CovalentContact SG-SG 2.04Å; C35-C48 PolarHBondContact SG-SG 3.35Å |
| 49 | Q | 89.4 | Confident | 80.1 | Confident | 149 Ų | 149 | 90.7 Ų | 90.7 | 70% | 0.696 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 116.2 | 165.9 | -69.3 | -176.1 | -10.1 | 0 | 0 | 108.4 | S33 I34 G51 | S33-Q49 WeakPolarHBondContact CA-O 3.02Å; I34-Q49 PolarHBondContact N-O 3.09Å; I34-Q49 PolarHBondContact O-N 3.45Å; Q49-G51 PolarHBondContact O-N 3.1Å |
| 50 | K | 80.5 | Confident | 78.5 | Confident | 193 Ų | 193 | 93.2 Ų | 93.2 | 84% | 0.839 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 121.7 | -179.7 | -172 | 174.1 | -178.7 | 179.6 | 0 | 109.4 | ||
| 51 | G | 75 | Confident | 76.5 | Confident | 18 Ų | 18 | 91.7 Ų | 91.7 | 19% | 0.186 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 159.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | T31 P32 S33 Q49 | T31-G51 CarbonylContact O-C 3.5Å; T31-G51 WeakPolarHBondContact O-CA 3.43Å; P32-G51 WeakPolarHBondContact O-CA 3.39Å; S33-G51 PolarHBondContact OG-N 3Å; S33-G51 VanDerWaalsContact OG-N 3.17Å; Q49-G51 PolarHBondContact O-N 3.1Å |
| 52 | N | 77.1 | Confident | 74.9 | Confident | 127 Ų | 127 | 88.2 Ų | 88.2 | 68% | 0.679 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -74.2 | 169.9 | 174 | -74.3 | -32.5 | 0 | 0 | 0 | 110.7 | T31 T54 | T31-N52 PolarHBondContact O-N 2.84Å; T31-N52 VanDerWaalsContact OG1-C 3.25Å; T31-N52 WeakPolarHBondContact OG1-CA 3.49Å; T31-N52 WeakPolarHBondContact OG1-CB 3.37Å; T31-N52 PolarHBondContact OG1-N 2.81Å; T31-N52 PolarHBondContact OG1-O 2.04Å; N52-T54 PolarHBondContact O-N 3.11Å |
| 53 | T | 70.4 | Confident | 73.1 | Confident | 44 Ų | 44 | 87.7 Ų | 87.7 | 27% | 0.27 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 141.1 | 172.5 | -40.3 | 0 | 0 | 0 | 0 | 109.4 | T31 T55 R90 | T31-T53 PolarHBondContact OG1-O 2.82Å; T53-T55 PolarHBondContact O-N 2.85Å; T53-T55 PolarHBondContact O-OG1 2.93Å; T53-R90 VanDerWaalsContact CG2-NH1 3.3Å; T53-R90 PolarHBondContact OG1-NH1 2.99Å; T53-R90 PolarHBondContact OG1-NH2 3.44Å |
| 54 | T | 73.9 | Confident | 71.5 | Confident | 9 Ų | 9 | 83 Ų | 83 | 6% | 0.055 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 122.6 | 165.1 | -57.1 | 0 | 0 | 0 | 0 | 108.5 | V28 V29 F30 N52 I76 | V28-T54 HydrophobicContact CG1-CG2 3.64Å; V29-T54 CarbonylContact O-C 3.51Å; V29-T54 VanDerWaalsContact O-CA 3.27Å; V29-T54 WeakPolarHBondContact O-CA 3.4Å; V29-T54 WeakPolarHBondContact O-CG2 3.03Å; F30-T54 HydrophobicContact CB-CG2 4.5Å; F30-T54 HydrophobicContact CD2-CG2 4.11Å; F30-T54 VanDerWaalsContact CD2-OG1 3.22Å; F30-T54 WeakPolarHBondContact CD2-OG1 3.34Å; N52-T54 PolarHBondContact O-N 3.11Å; T54-I76 VanDerWaalsContact CB-CG2 3.46Å; T54-I76 HydrophobicContact CG2-CD1 4.05Å; T54-I76 HydrophobicContact CG2-CG2 4.04Å; T54-I76 WeakPolarHBondContact O-CD1 3.38Å |
| 55 | T | 69 | Low | 69.6 | Low | 50 Ų | 50 | 86.6 Ų | 86.6 | 31% | 0.307 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133 | -176.8 | -53.2 | 0 | 0 | 0 | 0 | 109.3 | V29 T53 I57 | V29-T55 PolarHBondContact N-O 3.32Å; V29-T55 PolarHBondContact O-N 3.04Å; T53-T55 PolarHBondContact O-N 2.85Å; T53-T55 PolarHBondContact O-OG1 2.93Å; T55-I57 HydrophobicContact CG2-CG1 4.01Å |
| 56 | L | 69.8 | Low | 67.6 | Low | 22 Ų | 22 | 84.4 Ų | 84.4 | 12% | 0.115 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 130.5 | 165.9 | -60.2 | -177.5 | 0 | 0 | 0 | 107.9 | I26 V28 A64 L67 V74 I76 | I26-L56 HydrophobicContact CG2-CB 3.87Å; I26-L56 HydrophobicContact CG2-CD1 4.49Å; I26-L56 HydrophobicContact CG2-CD2 3.95Å; I26-L56 HydrophobicContact CG2-CG 4.32Å; V28-L56 HydrophobicContact CB-CD2 4.09Å; V28-L56 HydrophobicContact CG1-CD2 3.91Å; V28-L56 HydrophobicContact CG2-CD2 3.63Å; L56-A64 HydrophobicContact CB-CB 4.12Å; L56-A64 WeakPolarHBondContact O-CA 3.28Å; L56-A64 WeakPolarHBondContact O-CB 3.43Å; L56-A64 PolarHBondContact O-N 3.05Å; L56-L67 HydrophobicContact CD1-CD1 3.99Å; L56-V74 HydrophobicContact CD1-CB 3.87Å; L56-V74 HydrophobicContact CD1-CG1 3.43Å; L56-V74 VanDerWaalsContact CD1-CG1 3.43Å; L56-V74 HydrophobicContact CD1-CG2 3.74Å; L56-I76 HydrophobicContact CG-CD1 4.2Å |
| 57 | I | 66.8 | Low | 66.1 | Low | 56 Ų | 56 | 81.4 Ų | 81.4 | 29% | 0.287 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.7 | 178.5 | -54.5 | 173.9 | 0 | 0 | 0 | 106.4 | K27 V29 T55 | K27-I57 HydrophobicContact CB-CB 4.41Å; K27-I57 PolarHBondContact N-O 2.95Å; K27-I57 PolarHBondContact O-N 2.81Å; V29-I57 HydrophobicContact CG2-CD1 3.67Å; V29-I57 HydrophobicContact CG2-CG1 4.42Å; T55-I57 HydrophobicContact CG2-CG1 4.01Å |
| 58 | S | 64.8 | Low | 64.4 | Low | 34 Ų | 34 | 83.6 Ų | 83.6 | 24% | 0.238 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 140.4 | 168.9 | -178 | 0 | 0 | 0 | 0 | 108.4 | N60 G61 | S58-N60 PolarHBondContact O-N 3.32Å; S58-G61 PolarHBondContact O-N 2Å |
| 59 | E | 63.8 | Low | 62.7 | Low | 143 Ų | 143 | 83.2 Ų | 83.2 | 67% | 0.668 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -21.2 | 179 | -167.3 | 171.3 | -165.8 | 0 | 0 | 113 | R25 G61 | R25-E59 WeakPolarHBondContact CB-OE2 3.26Å; R25-E59 WeakPolarHBondContact CD-OE2 2.92Å; R25-E59 PolarHBondContact O-N 3.1Å; E59-G61 PolarHBondContact O-N 3.22Å; E59-G61 VanDerWaalsContact O-N 3.12Å |
| 60 | N | 55.7 | Low | 60.9 | Low | 125 Ų | 125 | 82.2 Ų | 82.2 | 67% | 0.668 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 14.6 | 175.5 | -54.7 | -24.2 | 0 | 0 | 0 | 114.6 | S58 H62 | S58-N60 PolarHBondContact O-N 3.32Å; N60-H62 PolarHBondContact O-N 2.03Å; N60-H62 VanDerWaalsContact O-N 3.07Å; N60-H62 PolarHBondContact O-ND1 3.4Å |
| 61 | G | 51.3 | Low | 59.6 | Low | 64 Ų | 64 | 81.2 Ų | 81.2 | 66% | 0.66 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 75.2 | -3.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | S58 E59 | S58-G61 PolarHBondContact O-N 2Å; E59-G61 PolarHBondContact O-N 3.22Å; E59-G61 VanDerWaalsContact O-N 3.12Å |
| 62 | H | 56.7 | Low | 58.7 | Low | 153 Ų | 153 | 85.6 Ų | 85.6 | 71% | 0.708 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -89.2 | 118.9 | 173.1 | -65.8 | 58 | 0 | 0 | 0 | 107.7 | N60 A64 | N60-H62 PolarHBondContact O-N 2.03Å; N60-H62 VanDerWaalsContact O-N 3.07Å; N60-H62 PolarHBondContact O-ND1 3.4Å; H62-A64 PolarHBondContact O-N 3.06Å; H62-A64 VanDerWaalsContact O-N 3.11Å |
| 63 | A | 49.8 | Very low | 57.9 | Low | 66 Ų | 66 | 89.3 Ų | 89.3 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | B | Isolated β-bridge | trans | -49.7 | 122.2 | 175 | 0 | 0 | 0 | 0 | 0 | 108.7 | D65 | A63-D65 PolarHBondContact O-N 2.88Å |
| 64 | A | 52.3 | Low | 57.5 | Low | 17 Ų | 17 | 90.3 Ų | 90.3 | 14% | 0.14 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -81.2 | 41.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L56 H62 T66 L67 | L56-A64 HydrophobicContact CB-CB 4.12Å; L56-A64 WeakPolarHBondContact O-CA 3.28Å; L56-A64 WeakPolarHBondContact O-CB 3.43Å; L56-A64 PolarHBondContact O-N 3.05Å; H62-A64 PolarHBondContact O-N 3.06Å; H62-A64 VanDerWaalsContact O-N 3.11Å; A64-T66 PolarHBondContact O-N 3.08Å; A64-L67 HydrophobicContact CB-CD1 3.96Å; A64-L67 HydrophobicContact CB-CG 4.04Å |
| 65 | D | 47.6 | Very low | 57 | Low | 148 Ų | 148 | 93 Ų | 93 | 79% | 0.791 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -64.5 | -13 | 161.7 | -114.3 | -0.5 | 0 | 0 | 0 | 110.8 | A63 | A63-D65 PolarHBondContact O-N 2.88Š|
| 66 | T | 49.5 | Very low | 56.9 | Low | 95 Ų | 95 | 92.6 Ų | 92.6 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -132.9 | 80.7 | 172 | -1.4 | 0 | 0 | 0 | 0 | 109.5 | A64 T68 | A64-T66 PolarHBondContact O-N 3.08Å; T66-T68 WeakPolarHBondContact CB-OG1 3Å; T66-T68 HydrophobicContact CG2-CG2 3.49Å; T66-T68 VanDerWaalsContact CG2-CG2 3.49Å; T66-T68 WeakPolarHBondContact CG2-OG1 3.48Å; T66-T68 PolarHBondContact O-N 2.04Å; T66-T68 PolarHBondContact O-OG1 2.83Å |
| 67 | L | 52.2 | Low | 56.9 | Low | 53 Ų | 53 | 93.4 Ų | 93.4 | 28% | 0.277 | 53% | 0.526 | S | S | . | . | trans | -72.5 | 66.7 | 147.8 | -75.6 | 133.9 | 0 | 0 | 0 | 107.8 | I26 L56 A64 A69 F72 V74 | I26-L67 HydrophobicContact CD1-CD2 4.45Å; L56-L67 HydrophobicContact CD1-CD1 3.99Å; A64-L67 HydrophobicContact CB-CD1 3.96Å; A64-L67 HydrophobicContact CB-CG 4.04Å; L67-A69 PolarHBondContact O-N 2.88Å; L67-F72 HydrophobicContact CB-CD1 3.56Å; L67-F72 HydrophobicContact CB-CE1 4.14Å; L67-F72 HydrophobicContact CD1-CD1 4.08Å; L67-F72 HydrophobicContact CD1-CE1 3.78Å; L67-F72 HydrophobicContact CD2-CD1 4.02Å; L67-F72 HydrophobicContact CD2-CE1 3.93Å; L67-F72 HydrophobicContact CG-CD1 4.07Å; L67-F72 HydrophobicContact CG-CE1 4.15Å; L67-V74 HydrophobicContact CD1-CG2 3.91Å | ||
| 68 | T | 51.2 | Low | 57 | Low | 116 Ų | 116 | 93.6 Ų | 93.6 | 71% | 0.712 | 53% | 0.525 | S | S | * | . | trans | -76 | 48.7 | 174.1 | 10.8 | 0 | 0 | 0 | 0 | 110.5 | T66 T70 | T66-T68 WeakPolarHBondContact CB-OG1 3Å; T66-T68 HydrophobicContact CG2-CG2 3.49Å; T66-T68 VanDerWaalsContact CG2-CG2 3.49Å; T66-T68 WeakPolarHBondContact CG2-OG1 3.48Å; T66-T68 PolarHBondContact O-N 2.04Å; T66-T68 PolarHBondContact O-OG1 2.83Å; T68-T70 PolarHBondContact O-N 2.89Å | ||
| 69 | A | 50.8 | Low | 57.5 | Low | 65 Ų | 65 | 93.2 Ų | 93.2 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -73.1 | 121.7 | 146.2 | 0 | 0 | 0 | 0 | 0 | 104.6 | L67 N71 F72 | L67-A69 PolarHBondContact O-N 2.88Å; A69-N71 PolarHBondContact O-N 3.31Å; A69-F72 HydrophobicContact CB-CB 4.02Å; A69-F72 PolarHBondContact O-N 2.69Å |
| 70 | T | 51.1 | Low | 58.2 | Low | 129 Ų | 129 | 90.9 Ų | 90.9 | 79% | 0.791 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | 115.5 | 165.8 | 43.9 | 0 | 0 | 0 | 0 | 106.6 | T68 | T68-T70 PolarHBondContact O-N 2.89Š|
| 71 | N | 52.3 | Low | 59.6 | Low | 171 Ų | 171 | 86.4 Ų | 86.4 | 91% | 0.914 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.3 | 5.4 | -175.7 | -44.5 | -58.5 | 0 | 0 | 0 | 119.4 | A69 | A69-N71 PolarHBondContact O-N 3.31Š|
| 72 | F | 57.5 | Low | 61.1 | Low | 110 Ų | 110 | 88 Ų | 88 | 48% | 0.482 | 49% | 0.488 | S | S | . | . | trans | -107.6 | 106.9 | 172.3 | -163.7 | -103 | 0 | 0 | 0 | 112.1 | L67 A69 V74 | L67-F72 HydrophobicContact CB-CD1 3.56Å; L67-F72 HydrophobicContact CB-CE1 4.14Å; L67-F72 HydrophobicContact CD1-CD1 4.08Å; L67-F72 HydrophobicContact CD1-CE1 3.78Å; L67-F72 HydrophobicContact CD2-CD1 4.02Å; L67-F72 HydrophobicContact CD2-CE1 3.93Å; L67-F72 HydrophobicContact CG-CD1 4.07Å; L67-F72 HydrophobicContact CG-CE1 4.15Å; A69-F72 HydrophobicContact CB-CB 4.02Å; A69-F72 PolarHBondContact O-N 2.69Å; F72-V74 HydrophobicContact CD1-CG2 3.77Å; F72-V74 HydrophobicContact CE1-CG2 3.17Å; F72-V74 HydrophobicContact CZ-CG2 3.82Å | ||
| 73 | R | 59.1 | Low | 62.4 | Low | 206 Ų | 206 | 84.5 Ų | 84.5 | 78% | 0.777 | 47% | 0.474 | S | S | * | . | trans | -117.2 | 109.8 | 177.2 | -170.7 | 179.1 | -174 | -119.4 | 3.5 | 110.1 | V75 | R73-V75 HydrophobicContact CG-CG2 4.31Š| ||
| 74 | V | 61.7 | Low | 64 | Low | 65 Ų | 65 | 84.8 Ų | 84.8 | 39% | 0.394 | 48% | 0.484 | S | S | . | . | trans | -89.3 | 117 | 172.7 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | L56 L67 F72 I76 | L56-V74 HydrophobicContact CD1-CB 3.87Å; L56-V74 HydrophobicContact CD1-CG1 3.43Å; L56-V74 VanDerWaalsContact CD1-CG1 3.43Å; L56-V74 HydrophobicContact CD1-CG2 3.74Å; L67-V74 HydrophobicContact CD1-CG2 3.91Å; F72-V74 HydrophobicContact CD1-CG2 3.77Å; F72-V74 HydrophobicContact CE1-CG2 3.17Å; F72-V74 HydrophobicContact CZ-CG2 3.82Å; V74-I76 HydrophobicContact CG1-CD1 4.46Å; V74-I76 HydrophobicContact CG1-CG1 3.91Å | ||
| 75 | V | 64 | Low | 65.7 | Low | 65 Ų | 65 | 84.7 Ų | 84.7 | 39% | 0.394 | 48% | 0.484 | S | S | . | . | trans | -102.1 | 113.8 | 171.9 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | R73 | R73-V75 HydrophobicContact CG-CG2 4.31Š| ||
| 76 | I | 67.6 | Low | 67.5 | Low | 41 Ų | 41 | 84.6 Ų | 84.6 | 21% | 0.21 | 48% | 0.479 | C | S | . | . | trans | -96.8 | 118.7 | 176.7 | -56.7 | 169.5 | 0 | 0 | 0 | 108.5 | T54 L56 V74 | T54-I76 VanDerWaalsContact CB-CG2 3.46Å; T54-I76 HydrophobicContact CG2-CD1 4.05Å; T54-I76 HydrophobicContact CG2-CG2 4.04Å; T54-I76 WeakPolarHBondContact O-CD1 3.38Å; L56-I76 HydrophobicContact CG-CD1 4.2Å; V74-I76 HydrophobicContact CG1-CD1 4.46Å; V74-I76 HydrophobicContact CG1-CG1 3.91Å | ||
| 77 | C | 69.4 | Low | 69.1 | Low | 39 Ų | 39 | 82.1 Ų | 82.1 | 26% | 0.264 | 47% | 0.465 | S | S | . | . | trans | -86.7 | 125.8 | 174.8 | -133.3 | 0 | 0 | 0 | 0 | 110.5 | L79 C87 | C77-L79 PolarHBondContact SG-O 3.17Å; C77-L79 VanDerWaalsContact SG-O 3.4Å; C77-C87 VanDerWaalsContact CA-SG 3.59Å; C77-C87 HydrophobicContact CB-CB 3.67Å; C77-C87 WeakPolarHBondContact CB-SG 3.41Å; C77-C87 WeakPolarHBondContact SG-CB 3.33Å; C77-C87 CovalentContact SG-SG 2Å; C77-C87 PolarHBondContact SG-SG 2.92Å | ||
| 78 | H | 69.3 | Low | 70.3 | Confident | 60 Ų | 60 | 82.2 Ų | 82.2 | 28% | 0.278 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -85.4 | -17.8 | 172.2 | -64 | 162.5 | 0 | 0 | 0 | 112 | R90 | H78-R90 PolarHBondContact N-O 3.47Å; H78-R90 VanDerWaalsContact N-O 3.08Å |
| 79 | L | 74.6 | Confident | 71.1 | Confident | 27 Ų | 27 | 79 Ų | 79 | 14% | 0.141 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -104 | 130.2 | 177.2 | -91.9 | 71.7 | 0 | 0 | 0 | 110.7 | C77 C81 D91 K102 L103 | C77-L79 PolarHBondContact SG-O 3.17Å; C77-L79 VanDerWaalsContact SG-O 3.4Å; L79-C81 PolarHBondContact O-N 2.95Å; L79-D91 WeakPolarHBondContact CD1-OD1 3.08Å; L79-K102 HydrophobicContact CD2-CD 3.65Å; L79-K102 HydrophobicContact CD2-CG 3.69Å; L79-L103 HydrophobicContact CB-CD2 3.6Å; L79-L103 HydrophobicContact CD2-CD2 3.62Å; L79-L103 HydrophobicContact CG-CD2 3.68Å |
| 80 | P | 77.9 | Confident | 71.9 | Confident | 93 Ų | 93 | 81.3 Ų | 81.3 | 60% | 0.604 | 45% | 0.447 | S | S | * | . | trans | -77.5 | 92.4 | 176.5 | 31 | -33.4 | 0 | 0 | 0 | 110.1 | M82 L103 | P80-M82 PolarHBondContact O-N 2.8Å; P80-L103 HydrophobicContact CG-CD2 4.35Å | ||
| 81 | C | 85.5 | Confident | 73 | Confident | 32 Ų | 32 | 79.3 Ų | 79.3 | 22% | 0.216 | 43% | 0.432 | C | S | . | . | trans | -62.8 | 124.4 | 172.6 | -52.1 | 0 | 0 | 0 | 0 | 110.1 | L79 G85 C93 | L79-C81 PolarHBondContact O-N 2.95Å; C81-G85 WeakPolarHBondContact CB-O 3.44Å; C81-C93 WeakPolarHBondContact CA-SG 3.04Å; C81-C93 HydrophobicContact CB-CB 3.78Å; C81-C93 WeakPolarHBondContact CB-SG 3.4Å; C81-C93 WeakPolarHBondContact SG-CA 2.96Å; C81-C93 WeakPolarHBondContact SG-CB 2.91Å; C81-C93 CovalentContact SG-SG 2.03Å; C81-C93 PolarHBondContact SG-SG 2.76Å | ||
| 82 | M | 82.9 | Confident | 74.3 | Confident | 98 Ų | 98 | 77.9 Ų | 77.9 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | trans | -97.8 | 173.1 | -177.4 | -57.5 | -175.7 | 73.5 | 0 | 0 | 111.7 | P80 G84 G85 L103 C104 Q105 | P80-M82 PolarHBondContact O-N 2.8Å; M82-G84 PolarHBondContact O-N 2.92Å; M82-G85 PolarHBondContact O-N 3.37Å; M82-L103 WeakPolarHBondContact CB-O 3.05Å; M82-L103 PolarHBondContact N-O 3.34Å; M82-C104 WeakPolarHBondContact O-CB 3.45Å; M82-Q105 HydrophobicContact SD-CB 4.09Å | ||
| 83 | N | 83.6 | Confident | 75.7 | Confident | 79 Ų | 79 | 73.8 Ų | 73.8 | 42% | 0.422 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 31 | 170.1 | -58.9 | -52.5 | 0 | 0 | 0 | 115.1 | P96 F99 C104 | N83-P96 WeakPolarHBondContact O-CG 3.43Å; N83-F99 HydrophobicContact CB-CB 4.5Å; N83-F99 HydrophobicContact CB-CD1 3.77Å; N83-F99 HydrophobicContact CB-CD2 3.78Å; N83-F99 HydrophobicContact CB-CE1 3.81Å; N83-F99 HydrophobicContact CB-CE2 3.82Å; N83-F99 HydrophobicContact CB-CG 3.75Å; N83-F99 HydrophobicContact CB-CZ 3.83Å; N83-F99 VanDerWaalsContact CG-CE1 3.41Å; N83-F99 WeakPolarHBondContact ND2-CD1 3.22Å; N83-F99 WeakPolarHBondContact ND2-CE1 3.48Å; N83-C104 PolarHBondContact ND2-O 2.84Å |
| 84 | G | 83 | Confident | 77.2 | Confident | 72 Ų | 72 | 69.8 Ų | 69.8 | 74% | 0.742 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 14.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | M82 | M82-G84 PolarHBondContact O-N 2.92Š|
| 85 | G | 88.3 | Confident | 78.5 | Confident | 15 Ų | 15 | 68.6 Ų | 68.6 | 16% | 0.155 | 39% | 0.386 | C | S | . | . | trans | -64.7 | 137.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C81 M82 Q94 | C81-G85 WeakPolarHBondContact CB-O 3.44Å; M82-G85 PolarHBondContact O-N 3.37Å; G85-Q94 CarbonylContact C-O 3.58Å; G85-Q94 VanDerWaalsContact CA-O 3.26Å; G85-Q94 WeakPolarHBondContact CA-O 3.06Å | ||
| 86 | Q | 86.1 | Confident | 79.7 | Confident | 145 Ų | 145 | 67.3 Ų | 67.3 | 68% | 0.678 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 136 | 177.3 | -106.8 | 178.6 | 22.9 | 0 | 0 | 111.6 | S88 Q94 | Q86-S88 PolarHBondContact O-N 3.48Å; Q86-Q94 HydrophobicContact CB-CB 4.44Å; Q86-Q94 PolarHBondContact N-O 3.31Å; Q86-Q94 WeakPolarHBondContact O-CB 3.48Å; Q86-Q94 PolarHBondContact O-N 2.85Å |
| 87 | C | 84 | Confident | 80.6 | Confident | 43 Ų | 43 | 70.9 Ų | 70.9 | 29% | 0.291 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 111.8 | 173.2 | -172.1 | 0 | 0 | 0 | 0 | 110.7 | C77 S89 | C77-C87 VanDerWaalsContact CA-SG 3.59Å; C77-C87 HydrophobicContact CB-CB 3.67Å; C77-C87 WeakPolarHBondContact CB-SG 3.41Å; C77-C87 WeakPolarHBondContact SG-CB 3.33Å; C77-C87 CovalentContact SG-SG 2Å; C77-C87 PolarHBondContact SG-SG 2.92Å; C87-S89 PolarHBondContact SG-O 3.49Å |
| 88 | S | 76.1 | Confident | 81.4 | Confident | 56 Ų | 56 | 72 Ų | 72 | 39% | 0.392 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -32.7 | 176.5 | 64.9 | 0 | 0 | 0 | 0 | 112.3 | Q86 K92 | Q86-S88 PolarHBondContact O-N 3.48Å; S88-K92 PolarHBondContact N-O 3.34Å; S88-K92 VanDerWaalsContact N-O 3.1Å; S88-K92 PolarHBondContact OG-O 3.2Å; S88-K92 VanDerWaalsContact OG-O 3.1Å |
| 89 | S | 68.8 | Low | 82.4 | Confident | 48 Ų | 48 | 70.9 Ų | 70.9 | 34% | 0.336 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 168.4 | 178.8 | 55.5 | 0 | 0 | 0 | 0 | 109.5 | C87 D91 K92 | C87-S89 PolarHBondContact SG-O 3.49Å; S89-D91 PolarHBondContact O-N 2.94Å; S89-K92 PolarHBondContact O-N 2.97Å; S89-K92 WeakPolarHBondContact OG-CB 3.37Å |
| 90 | R | 67.9 | Low | 83 | Confident | 114 Ų | 114 | 73 Ų | 73 | 43% | 0.43 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.3 | -38.8 | -171.7 | -81.6 | -178.8 | -160.3 | -153.2 | 3.6 | 115.5 | T53 H78 | T53-R90 VanDerWaalsContact CG2-NH1 3.3Å; T53-R90 PolarHBondContact OG1-NH1 2.99Å; T53-R90 PolarHBondContact OG1-NH2 3.44Å; H78-R90 PolarHBondContact N-O 3.47Å; H78-R90 VanDerWaalsContact N-O 3.08Å |
| 91 | D | 73.8 | Confident | 83.3 | Confident | 86 Ų | 86 | 69.8 Ų | 69.8 | 46% | 0.46 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 10.6 | -172 | -58.7 | -54.3 | 0 | 0 | 0 | 114 | L79 S89 | L79-D91 WeakPolarHBondContact CD1-OD1 3.08Å; S89-D91 PolarHBondContact O-N 2.94Å |
| 92 | K | 79.4 | Confident | 83.3 | Confident | 142 Ų | 142 | 74.8 Ų | 74.8 | 62% | 0.617 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 114.8 | -178.3 | -63.3 | -172.3 | 179.7 | -173 | 0 | 112.2 | S88 S89 | S88-K92 PolarHBondContact N-O 3.34Å; S88-K92 VanDerWaalsContact N-O 3.1Å; S88-K92 PolarHBondContact OG-O 3.2Å; S88-K92 VanDerWaalsContact OG-O 3.1Å; S89-K92 PolarHBondContact O-N 2.97Å; S89-K92 WeakPolarHBondContact OG-CB 3.37Å |
| 93 | C | 86.9 | Confident | 83.4 | Confident | 23 Ų | 23 | 72.2 Ų | 72.2 | 16% | 0.155 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 134.4 | 166.3 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | C81 K102 C104 | C81-C93 WeakPolarHBondContact CA-SG 3.04Å; C81-C93 HydrophobicContact CB-CB 3.78Å; C81-C93 WeakPolarHBondContact CB-SG 3.4Å; C81-C93 WeakPolarHBondContact SG-CA 2.96Å; C81-C93 WeakPolarHBondContact SG-CB 2.91Å; C81-C93 CovalentContact SG-SG 2.03Å; C81-C93 PolarHBondContact SG-SG 2.76Å; C93-K102 PolarHBondContact SG-O 2.83Å; C93-K102 VanDerWaalsContact SG-O 3.35Å; C93-C104 VanDerWaalsContact CB-SG 3.58Å |
| 94 | Q | 91.1 | Very high | 83.6 | Confident | 123 Ų | 123 | 68.5 Ų | 68.5 | 58% | 0.575 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 105.7 | 168.4 | -169.3 | 158.3 | 17.4 | 0 | 0 | 107.5 | G85 Q86 | G85-Q94 CarbonylContact C-O 3.58Å; G85-Q94 VanDerWaalsContact CA-O 3.26Å; G85-Q94 WeakPolarHBondContact CA-O 3.06Å; Q86-Q94 HydrophobicContact CB-CB 4.44Å; Q86-Q94 PolarHBondContact N-O 3.31Å; Q86-Q94 WeakPolarHBondContact O-CB 3.48Å; Q86-Q94 PolarHBondContact O-N 2.85Å |
| 95 | C | 89.4 | Confident | 83.8 | Confident | 40 Ų | 40 | 69.2 Ų | 69.2 | 27% | 0.27 | 37% | 0.37 | S | S | . | . | trans | -85.4 | 146.6 | -173.3 | -54.9 | 0 | 0 | 0 | 0 | 111.9 | F99 C104 | C95-F99 WeakPolarHBondContact CB-O 3.37Å; C95-C104 WeakPolarHBondContact CA-SG 3.05Å; C95-C104 HydrophobicContact CB-CB 3.73Å; C95-C104 WeakPolarHBondContact CB-SG 3.26Å; C95-C104 WeakPolarHBondContact SG-CA 3.27Å; C95-C104 WeakPolarHBondContact SG-CB 3.06Å; C95-C104 CovalentContact SG-SG 2.04Å; C95-C104 PolarHBondContact SG-SG 2.95Å | ||
| 96 | P | 88.9 | Confident | 83.7 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 24% | 0.24 | 38% | 0.383 | C | S | . | . | trans | -65.7 | 161.6 | 169.6 | 29.2 | -35.4 | 0 | 0 | 0 | 110.9 | N83 N98 F99 | N83-P96 WeakPolarHBondContact O-CG 3.43Å; P96-N98 PolarHBondContact O-N 2.88Å; P96-F99 HydrophobicContact CG-CB 4.21Å; P96-F99 HydrophobicContact CG-CD2 3.92Å; P96-F99 PolarHBondContact O-N 3.24Å | ||
| 97 | P | 86.6 | Confident | 83.5 | Confident | 117 Ų | 117 | 69.3 Ų | 69.3 | 76% | 0.76 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -24.1 | -171.9 | -26.5 | 34.3 | 0 | 0 | 0 | 115.3 | ||
| 98 | N | 86.4 | Confident | 83.6 | Confident | 61 Ų | 61 | 70.2 Ų | 70.2 | 33% | 0.326 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -4.9 | -174.5 | -53.2 | -3.4 | 0 | 0 | 0 | 112.6 | P96 P107 V108 A111 | P96-N98 PolarHBondContact O-N 2.88Å; N98-P107 CarbonylContact O-C 3.5Å; N98-P107 WeakPolarHBondContact O-CA 3.38Å; N98-V108 PolarHBondContact O-N 3.11Å; N98-A111 HydrophobicContact CB-CB 3.75Å; N98-A111 WeakPolarHBondContact OD1-CB 3.19Å |
| 99 | F | 89.1 | Confident | 83.2 | Confident | 38 Ų | 38 | 76.4 Ų | 76.4 | 17% | 0.167 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 148.2 | -176.1 | -66.4 | -88 | 0 | 0 | 0 | 111.8 | N83 C95 P96 C104 I106 P107 M113 | N83-F99 HydrophobicContact CB-CB 4.5Å; N83-F99 HydrophobicContact CB-CD1 3.77Å; N83-F99 HydrophobicContact CB-CD2 3.78Å; N83-F99 HydrophobicContact CB-CE1 3.81Å; N83-F99 HydrophobicContact CB-CE2 3.82Å; N83-F99 HydrophobicContact CB-CG 3.75Å; N83-F99 HydrophobicContact CB-CZ 3.83Å; N83-F99 VanDerWaalsContact CG-CE1 3.41Å; N83-F99 WeakPolarHBondContact ND2-CD1 3.22Å; N83-F99 WeakPolarHBondContact ND2-CE1 3.48Å; C95-F99 WeakPolarHBondContact CB-O 3.37Å; P96-F99 HydrophobicContact CG-CB 4.21Å; P96-F99 HydrophobicContact CG-CD2 3.92Å; P96-F99 PolarHBondContact O-N 3.24Å; F99-C104 HydrophobicContact CB-CB 4.3Å; F99-I106 CarbonylContact C-O 3.55Å; F99-I106 VanDerWaalsContact CA-O 3.27Å; F99-I106 WeakPolarHBondContact CA-O 2.98Å; F99-P107 HydrophobicContact CD1-CB 4.43Å; F99-P107 HydrophobicContact CE1-CB 4.32Å; F99-M113 HydrophobicContact CZ-CE 4.42Å |
| 100 | T | 86.9 | Confident | 82.9 | Confident | 72 Ų | 72 | 77.8 Ų | 77.8 | 44% | 0.442 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | -177.5 | -178.9 | -168.9 | 0 | 0 | 0 | 0 | 110.2 | C104 Q105 I106 V108 | T100-C104 CarbonylContact O-C 3.58Å; T100-C104 VanDerWaalsContact O-C 3.31Å; T100-C104 VanDerWaalsContact O-CA 3.28Å; T100-C104 WeakPolarHBondContact O-CA 3.35Å; T100-Q105 PolarHBondContact O-N 2.82Å; T100-I106 HydrophobicContact CG2-CB 3.74Å; T100-I106 HydrophobicContact CG2-CG2 3.82Å; T100-I106 PolarHBondContact N-O 2.98Å; T100-I106 WeakPolarHBondContact O-CB 3.16Å; T100-I106 PolarHBondContact O-N 2.76Å; T100-V108 HydrophobicContact CG2-CG2 3.98Å |
| 101 | G | 85.4 | Confident | 82.2 | Confident | 24 Ų | 24 | 73.8 Ų | 73.8 | 25% | 0.247 | 42% | 0.421 | C | S | . | . | S | Bend | trans | 89.7 | 162.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113 | L103 C104 | G101-L103 PolarHBondContact O-N 2.99Å; G101-L103 VanDerWaalsContact O-N 3.09Å; G101-C104 PolarHBondContact O-N 3.4Å |
| 102 | K | 83.9 | Confident | 81.5 | Confident | 138 Ų | 138 | 75 Ų | 75 | 60% | 0.6 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -27 | -173.4 | -162.3 | -174.8 | -175.8 | -168 | 0 | 113.5 | L79 C93 | L79-K102 HydrophobicContact CD2-CD 3.65Å; L79-K102 HydrophobicContact CD2-CG 3.69Å; C93-K102 PolarHBondContact SG-O 2.83Å; C93-K102 VanDerWaalsContact SG-O 3.35Å |
| 103 | L | 85.1 | Confident | 80 | Confident | 44 Ų | 44 | 74.3 Ų | 74.3 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 12.7 | 179.1 | -58.1 | 175.5 | 0 | 0 | 0 | 112.3 | L79 P80 M82 G101 Q105 | L79-L103 HydrophobicContact CB-CD2 3.6Å; L79-L103 HydrophobicContact CD2-CD2 3.62Å; L79-L103 HydrophobicContact CG-CD2 3.68Å; P80-L103 HydrophobicContact CG-CD2 4.35Å; M82-L103 WeakPolarHBondContact CB-O 3.05Å; M82-L103 PolarHBondContact N-O 3.34Å; G101-L103 PolarHBondContact O-N 2.99Å; G101-L103 VanDerWaalsContact O-N 3.09Å; L103-Q105 PolarHBondContact O-N 3.24Å |
| 104 | C | 88 | Confident | 78 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 47% | 0.465 | C | S | . | . | S | Bend | trans | 57.6 | 31.3 | -173 | -47.1 | 0 | 0 | 0 | 0 | 113.6 | M82 N83 C93 C95 F99 T100 G101 | M82-C104 WeakPolarHBondContact O-CB 3.45Å; N83-C104 PolarHBondContact ND2-O 2.84Å; C93-C104 VanDerWaalsContact CB-SG 3.58Å; C95-C104 WeakPolarHBondContact CA-SG 3.05Å; C95-C104 HydrophobicContact CB-CB 3.73Å; C95-C104 WeakPolarHBondContact CB-SG 3.26Å; C95-C104 WeakPolarHBondContact SG-CA 3.27Å; C95-C104 WeakPolarHBondContact SG-CB 3.06Å; C95-C104 CovalentContact SG-SG 2.04Å; C95-C104 PolarHBondContact SG-SG 2.95Å; F99-C104 HydrophobicContact CB-CB 4.3Å; T100-C104 CarbonylContact O-C 3.58Å; T100-C104 VanDerWaalsContact O-C 3.31Å; T100-C104 VanDerWaalsContact O-CA 3.28Å; T100-C104 WeakPolarHBondContact O-CA 3.35Å; G101-C104 PolarHBondContact O-N 3.4Å |
| 105 | Q | 87.5 | Confident | 75.7 | Confident | 87 Ų | 87 | 80.2 Ų | 80.2 | 41% | 0.407 | 47% | 0.469 | S | S | . | . | trans | -88.2 | -14.9 | -176.3 | 75.8 | -84.4 | 35.8 | 0 | 0 | 113.9 | M82 T100 L103 | M82-Q105 HydrophobicContact SD-CB 4.09Å; T100-Q105 PolarHBondContact O-N 2.82Å; L103-Q105 PolarHBondContact O-N 3.24Å | ||
| 106 | I | 86.4 | Confident | 73.5 | Confident | 84 Ų | 84 | 85.3 Ų | 85.3 | 43% | 0.431 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 120.1 | -173.2 | -52.8 | 174.5 | 0 | 0 | 0 | 108.6 | F99 T100 | F99-I106 CarbonylContact C-O 3.55Å; F99-I106 VanDerWaalsContact CA-O 3.27Å; F99-I106 WeakPolarHBondContact CA-O 2.98Å; T100-I106 HydrophobicContact CG2-CB 3.74Å; T100-I106 HydrophobicContact CG2-CG2 3.82Å; T100-I106 PolarHBondContact N-O 2.98Å; T100-I106 WeakPolarHBondContact O-CB 3.16Å; T100-I106 PolarHBondContact O-N 2.76Å |
| 107 | P | 81.7 | Confident | 71.2 | Confident | 78 Ų | 78 | 95 Ų | 95 | 51% | 0.506 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 139.9 | 173.9 | 28.3 | -32.7 | 0 | 0 | 0 | 111.2 | N98 F99 L109 | N98-P107 CarbonylContact O-C 3.5Å; N98-P107 WeakPolarHBondContact O-CA 3.38Å; F99-P107 HydrophobicContact CD1-CB 4.43Å; F99-P107 HydrophobicContact CE1-CB 4.32Å; P107-L109 PolarHBondContact O-N 3.12Å |
| 108 | V | 86.1 | Confident | 68.9 | Low | 63 Ų | 63 | 95.6 Ų | 95.6 | 38% | 0.382 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 116 | 174.7 | -171.3 | 0 | 0 | 0 | 0 | 108.3 | N98 T100 G110 A111 | N98-V108 PolarHBondContact O-N 3.11Å; T100-V108 HydrophobicContact CG2-CG2 3.98Å; V108-G110 VanDerWaalsContact C-N 3.29Å; V108-G110 PolarHBondContact O-N 2.95Å; V108-A111 PolarHBondContact O-N 3.27Å |
| 109 | L | 68.9 | Low | 66.6 | Low | 185 Ų | 185 | 101.9 Ų | 101.9 | 97% | 0.969 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 86.4 | 175.9 | -71.5 | 161.5 | 0 | 0 | 0 | 109.4 | P107 | P107-L109 PolarHBondContact O-N 3.12Š|
| 110 | G | 62.2 | Low | 64.5 | Low | 78 Ų | 78 | 104.2 Ų | 104.2 | 80% | 0.804 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 163.8 | -20.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | V108 | V108-G110 VanDerWaalsContact C-N 3.29Å; V108-G110 PolarHBondContact O-N 2.95Å |
| 111 | A | 53.4 | Low | 62.2 | Low | 30 Ų | 30 | 110.1 Ų | 110.1 | 25% | 0.248 | 60% | 0.595 | C | S | . | * | S | Bend | trans | -94.8 | 128.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | N98 V108 M113 | N98-A111 HydrophobicContact CB-CB 3.75Å; N98-A111 WeakPolarHBondContact OD1-CB 3.19Å; V108-A111 PolarHBondContact O-N 3.27Å; A111-M113 PolarHBondContact O-N 2.97Å |
| 112 | S | 57.5 | Low | 60.5 | Low | 111 Ų | 111 | 118.3 Ų | 118.3 | 78% | 0.776 | 63% | 0.627 | S | S | * | * | trans | -47 | 92.2 | 179.7 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 113 | M | 48.3 | Very low | 58.2 | Low | 127 Ų | 127 | 121.2 Ų | 121.2 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | trans | -85.9 | 135.2 | 152.5 | -77.3 | -66.7 | -114.7 | 0 | 0 | 107.8 | F99 A111 K115 | F99-M113 HydrophobicContact CZ-CE 4.42Å; A111-M113 PolarHBondContact O-N 2.97Å; M113-K115 PolarHBondContact O-N 3.12Å | ||
| 114 | P | 45.4 | Very low | 56.3 | Low | 117 Ų | 117 | 122.4 Ų | 122.4 | 76% | 0.76 | 67% | 0.665 | S | S | * | * | trans | -54.2 | 118.3 | 163.1 | -17.8 | 29.9 | 0 | 0 | 0 | 107.6 | L116 | P114-L116 PolarHBondContact O-N 3.07Š| ||
| 115 | K | 41.9 | Very low | 54 | Low | 153 Ų | 153 | 132.3 Ų | 132.3 | 67% | 0.665 | 71% | 0.709 | S | S | * | * | trans | -51.8 | 96.7 | 170.4 | -111.9 | 167.1 | 168.3 | -173.2 | 0 | 108.9 | M113 Q118 | M113-K115 PolarHBondContact O-N 3.12Å; K115-Q118 HydrophobicContact CD-CG 4.02Å; K115-Q118 VanDerWaalsContact CD-OE1 3.28Å; K115-Q118 HydrophobicContact CG-CG 3.98Å | ||
| 116 | L | 43.7 | Very low | 51.6 | Low | 147 Ų | 147 | 132.2 Ų | 132.2 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | trans | -132.7 | 35 | 162.1 | -157.1 | 77.1 | 0 | 0 | 0 | 111.6 | P114 | P114-L116 PolarHBondContact O-N 3.07Š| ||
| 117 | Y | 40.2 | Very low | 49.6 | Very low | 240 Ų | 240 | 137.1 Ų | 137.1 | 94% | 0.941 | 75% | 0.749 | S | S | * | * | trans | -148.8 | 60.9 | 154.5 | -80.3 | -75.5 | 0 | 0 | 0 | 108.4 | H119 | Y117-H119 PolarHBondContact O-N 3.02Š| ||
| 118 | Q | 38.4 | Very low | 48.1 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 61% | 0.612 | 77% | 0.765 | S | S | * | * | trans | -77.3 | 103.3 | 159.5 | -101 | 163.4 | -50.9 | 0 | 0 | 107.7 | K115 | K115-Q118 HydrophobicContact CD-CG 4.02Å; K115-Q118 VanDerWaalsContact CD-OE1 3.28Å; K115-Q118 HydrophobicContact CG-CG 3.98Å | ||
| 119 | H | 38.9 | Very low | 46.2 | Very low | 193 Ų | 193 | 139 Ų | 139 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | trans | -127 | 129.5 | 145.8 | -138.9 | -86.8 | 0 | 0 | 0 | 108.5 | Y117 | Y117-H119 PolarHBondContact O-N 3.02Š| ||
| 120 | A | 44.2 | Very low | 45.6 | Very low | 86 Ų | 86 | 137.6 Ų | 137.6 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -61.2 | 145.4 | -158.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 121 | Q | 38.6 | Very low | 45.3 | Very low | 196 Ų | 196 | 138 Ų | 138 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | -170.5 | 102.4 | 114.3 | -99.9 | 179.9 | -10.2 | 0 | 0 | 110 | |||||
| 122 | Q | 49.8 | Very low | 45.6 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | trans | -82.7 | 124.9 | 161.3 | -71.6 | 179.3 | -23.3 | 0 | 0 | 107.6 | ||||
| 123 | Q | 36.3 | Very low | 45.8 | Very low | 199 Ų | 199 | 141 Ų | 141 | 93% | 0.93 | 75% | 0.753 | S | S | * | * | trans | -140.7 | 106.3 | 149.8 | -158.6 | 144.8 | -3.1 | 0 | 0 | 107.4 | ||||
| 124 | G | 44.3 | Very low | 46.9 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | -76.4 | 167.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 125 | K | 39.3 | Very low | 47.9 | Very low | 209 Ų | 209 | 133.8 Ų | 133.8 | 91% | 0.909 | 72% | 0.715 | S | S | * | * | -174 | 130.2 | 127.2 | -108.6 | 174.3 | 177.5 | -177.3 | 0 | 112.7 | |||||
| 126 | A | 37 | Very low | 49.5 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 70% | 0.702 | 71% | 0.706 | S | S | * | * | trans | 41.1 | 121.7 | 138.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | G128 | A126-G128 PolarHBondContact O-N 2.73Š| ||
| 127 | L | 46.3 | Very low | 50.5 | Low | 186 Ų | 186 | 128.5 Ų | 128.5 | 97% | 0.974 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -39.8 | 112.9 | 149.7 | -176.2 | 69.3 | 0 | 0 | 0 | 110.7 | ||
| 128 | G | 49.3 | Very low | 51.8 | Low | 82 Ų | 82 | 121 Ų | 121 | 85% | 0.845 | 67% | 0.671 | S | S | * | * | trans | 116.9 | 29.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | A126 | A126-G128 PolarHBondContact O-N 2.73Š| ||
| 129 | S | 45.8 | Very low | 52.8 | Low | 99 Ų | 99 | 119.4 Ų | 119.4 | 69% | 0.692 | 67% | 0.672 | S | S | * | * | trans | -127.6 | 127.1 | 166.7 | -171.8 | 0 | 0 | 0 | 0 | 110.8 | V131 | S129-V131 WeakPolarHBondContact O-CG2 3.38Å; S129-V131 PolarHBondContact O-N 3.07Å | ||
| 130 | H | 56.3 | Low | 53.2 | Low | 155 Ų | 155 | 115.2 Ų | 115.2 | 72% | 0.718 | 66% | 0.656 | S | S | * | * | trans | -53.8 | 110.4 | 172.8 | -89.3 | -114.2 | 0 | 0 | 0 | 109.2 | I132 | H130-I132 PolarHBondContact O-N 2.8Å; H130-I132 VanDerWaalsContact O-N 3.09Å | ||
| 131 | V | 56.7 | Low | 53.6 | Low | 88 Ų | 88 | 117.1 Ų | 117.1 | 53% | 0.533 | 66% | 0.658 | S | S | . | * | trans | -82.2 | 85.8 | 179.9 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | S129 H133 H163 | S129-V131 WeakPolarHBondContact O-CG2 3.38Å; S129-V131 PolarHBondContact O-N 3.07Å; V131-H133 WeakPolarHBondContact CG1-O 3.11Å; V131-H133 PolarHBondContact O-N 2.7Å; V131-H163 PolarHBondContact O-ND1 2.98Å | ||
| 132 | I | 59.1 | Low | 54 | Low | 111 Ų | 111 | 115.8 Ų | 115.8 | 57% | 0.569 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -67.8 | -18 | 179.4 | -54.9 | 174.8 | 0 | 0 | 0 | 111 | H130 K162 H163 | H130-I132 PolarHBondContact O-N 2.8Å; H130-I132 VanDerWaalsContact O-N 3.09Å; I132-K162 VanDerWaalsContact O-CA 3.31Å; I132-K162 WeakPolarHBondContact O-CA 3.33Å; I132-H163 PolarHBondContact O-N 2.78Å |
| 133 | H | 63 | Low | 53.7 | Low | 91 Ų | 91 | 113.3 Ų | 113.3 | 42% | 0.421 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -144 | 126.7 | 177.8 | -162 | -134.6 | 0 | 0 | 0 | 111.9 | V131 H160 V161 K162 | V131-H133 WeakPolarHBondContact CG1-O 3.11Å; V131-H133 PolarHBondContact O-N 2.7Å; H133-H160 AromaticContact CE1-CD2 3.38Å; H133-H160 PolarHBondContact CE1-CD2 2.88Å; H133-H160 AromaticContact CE1-CG 3.94Å; H133-H160 WeakPolarHBondContact NE2-CB 3.36Å; H133-H160 AromaticContact NE2-CD2 3.92Å; H133-V161 CarbonylContact C-O 3.31Å; H133-V161 WeakPolarHBondContact CA-O 3.45Å; H133-V161 PolarHBondContact CD2-O 3.09Å; H133-K162 VanDerWaalsContact CD2-CG 3.49Å; H133-K162 WeakPolarHBondContact CD2-CG 3.39Å |
| 134 | S | 69.9 | Low | 54.3 | Low | 24 Ų | 24 | 108.5 Ų | 108.5 | 17% | 0.168 | 64% | 0.641 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -125 | 145.4 | 174.8 | 66.2 | 0 | 0 | 0 | 0 | 111.1 | H136 V161 H163 | S134-H136 PolarHBondContact OG-CE1 3.29Å; S134-V161 PolarHBondContact N-O 3.12Å; S134-V161 PolarHBondContact O-N 3.48Å; S134-H163 PolarHBondContact OG-CE1 3.5Å; S134-H163 VanDerWaalsContact OG-CE1 3.29Å |
| 135 | T | 67.5 | Low | 54.2 | Low | 69 Ų | 69 | 113.7 Ų | 113.7 | 42% | 0.423 | 65% | 0.647 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.1 | 125.5 | -179.2 | -54.8 | 0 | 0 | 0 | 0 | 110.4 | N158 I159 H160 | T135-N158 HydrophobicContact CG2-CB 3.94Å; T135-I159 CarbonylContact C-O 3.56Å; T135-I159 VanDerWaalsContact CA-O 3.26Å; T135-I159 WeakPolarHBondContact CA-O 3.39Å; T135-H160 PolarHBondContact OG1-CD2 3.48Å; T135-H160 PolarHBondContact OG1-NE2 3.05Å |
| 136 | H | 75.3 | Confident | 54.3 | Low | 102 Ų | 102 | 113.2 Ų | 113.2 | 47% | 0.472 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.4 | 130 | 179.3 | -62.9 | 81.2 | 0 | 0 | 0 | 110.5 | S134 L138 N158 I159 | S134-H136 PolarHBondContact OG-CE1 3.29Å; H136-L138 HydrophobicContact CB-CD1 4.22Å; H136-N158 CarbonylContact O-C 3.52Å; H136-N158 WeakPolarHBondContact O-CA 3.41Å; H136-I159 HydrophobicContact CB-CB 4.4Å; H136-I159 PolarHBondContact N-O 3.3Å; H136-I159 PolarHBondContact O-N 3.22Å |
| 137 | T | 64 | Low | 54.7 | Low | 87 Ų | 87 | 112.8 Ų | 112.8 | 53% | 0.534 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 114.3 | -174.7 | -58.5 | 0 | 0 | 0 | 0 | 109.6 | I156 V157 N158 | T137-I156 HydrophobicContact CG2-CB 4.47Å; T137-I156 HydrophobicContact CG2-CG2 3.05Å; T137-V157 WeakPolarHBondContact CA-O 3.3Å; T137-N158 WeakPolarHBondContact CG2-OD1 3.48Å; T137-N158 PolarHBondContact OG1-OD1 3.44Å |
| 138 | L | 67.4 | Low | 54.4 | Low | 83 Ų | 83 | 109.6 Ų | 109.6 | 44% | 0.435 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.2 | 136 | -179.4 | -65.7 | 96.2 | 0 | 0 | 0 | 112.1 | H136 V157 I159 | H136-L138 HydrophobicContact CB-CD1 4.22Å; L138-V157 PolarHBondContact N-O 2.75Å; L138-V157 PolarHBondContact O-N 2.71Å; L138-I159 HydrophobicContact CD1-CD1 3.41Å; L138-I159 VanDerWaalsContact CD1-CD1 3.41Å; L138-I159 HydrophobicContact CD1-CG1 3.81Å |
| 139 | P | 59.9 | Low | 54 | Low | 98 Ų | 98 | 116 Ų | 116 | 64% | 0.636 | 64% | 0.644 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.2 | 133.8 | 173.7 | 30.5 | -32 | 0 | 0 | 0 | 111.4 | T141 | P139-T141 PolarHBondContact O-N 3.33Å |
| 140 | L | 48.1 | Very low | 53.9 | Low | 105 Ų | 105 | 115.2 Ų | 115.2 | 55% | 0.55 | 64% | 0.635 | S | S | . | * | trans | -83.3 | 87.9 | 170.1 | -63.2 | 176.3 | 0 | 0 | 0 | 109.8 | M142 N155 V157 | L140-M142 PolarHBondContact O-N 3.2Å; L140-N155 HydrophobicContact CB-CB 4.36Å; L140-N155 WeakPolarHBondContact CB-O 3.16Å; L140-N155 HydrophobicContact CD1-CB 4.34Å; L140-N155 PolarHBondContact N-O 3.27Å; L140-V157 HydrophobicContact CD1-CG2 3.56Å; L140-V157 HydrophobicContact CD2-CG2 3.93Å; L140-V157 HydrophobicContact CG-CG2 3.71Å | ||
| 141 | T | 51.5 | Low | 53.3 | Low | 126 Ų | 126 | 117.6 Ų | 117.6 | 77% | 0.773 | 64% | 0.643 | S | S | * | * | trans | -74.2 | 104.1 | 168.6 | 19 | 0 | 0 | 0 | 0 | 110.1 | P139 | P139-T141 PolarHBondContact O-N 3.33Š| ||
| 142 | M | 47.3 | Very low | 52.7 | Low | 168 Ų | 168 | 120.1 Ų | 120.1 | 83% | 0.828 | 65% | 0.647 | S | S | * | * | trans | -84.6 | 122 | 158.2 | -74.6 | -74.3 | 102.1 | 0 | 0 | 108.1 | L140 S144 | L140-M142 PolarHBondContact O-N 3.2Å; M142-S144 PolarHBondContact O-N 3.14Å | ||
| 143 | T | 44.5 | Very low | 52.2 | Low | 144 Ų | 144 | 119.4 Ų | 119.4 | 88% | 0.883 | 65% | 0.65 | S | S | * | * | trans | -66.7 | 95.8 | 169.9 | 48 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 144 | S | 47 | Very low | 51.8 | Low | 97 Ų | 97 | 120.2 Ų | 120.2 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 127.7 | 173.6 | -171.3 | 0 | 0 | 0 | 0 | 109.4 | M142 | M142-S144 PolarHBondContact O-N 3.14Š|
| 145 | Q | 42.2 | Very low | 51.1 | Low | 179 Ų | 179 | 123.9 Ų | 123.9 | 84% | 0.836 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 142.3 | 169.1 | -67.6 | -174.8 | -30.2 | 0 | 0 | 110 | G147 | Q145-G147 PolarHBondContact O-N 3.47Š|
| 146 | Q | 42.4 | Very low | 51.1 | Low | 199 Ų | 199 | 124.6 Ų | 124.6 | 93% | 0.93 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.2 | 129.5 | -178 | -78.3 | 112.6 | -19 | 0 | 0 | 112.5 | ||
| 147 | G | 46.3 | Very low | 50.6 | Low | 75 Ų | 75 | 122.8 Ų | 122.8 | 77% | 0.773 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 140.5 | -11.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 119 | Q145 | Q145-G147 PolarHBondContact O-N 3.47Š|
| 148 | V | 39.9 | Very low | 50.7 | Low | 119 Ų | 119 | 122.7 Ų | 122.7 | 72% | 0.721 | 67% | 0.673 | S | S | * | * | trans | -125.3 | 113.1 | -179 | -167.5 | 0 | 0 | 0 | 0 | 111.2 | V150 | V148-V150 HydrophobicContact CB-CG2 4.26Å; V148-V150 HydrophobicContact CG1-CG2 3.85Å; V148-V150 PolarHBondContact O-N 3.18Å | ||
| 149 | K | 40.9 | Very low | 51.1 | Low | 217 Ų | 217 | 122.5 Ų | 122.5 | 94% | 0.943 | 67% | 0.671 | S | S | * | * | trans | -74.5 | 71.4 | 176.8 | -163.3 | -164.4 | -173.8 | -161.4 | 0 | 110.4 | ||||
| 150 | V | 42.9 | Very low | 51.8 | Low | 83 Ų | 83 | 123.2 Ų | 123.2 | 50% | 0.503 | 67% | 0.666 | S | S | . | * | trans | -89.1 | 115.2 | 167.7 | -129.1 | 0 | 0 | 0 | 0 | 108.4 | V148 F152 | V148-V150 HydrophobicContact CB-CG2 4.26Å; V148-V150 HydrophobicContact CG1-CG2 3.85Å; V148-V150 PolarHBondContact O-N 3.18Å; V150-F152 VanDerWaalsContact C-N 3.29Å; V150-F152 HydrophobicContact CB-CD2 4.07Å; V150-F152 HydrophobicContact CB-CE2 3.62Å; V150-F152 HydrophobicContact CB-CZ 4.02Å; V150-F152 HydrophobicContact CG2-CE2 3.73Å; V150-F152 HydrophobicContact CG2-CZ 4.06Å; V150-F152 WeakPolarHBondContact O-CD2 3.41Å; V150-F152 PolarHBondContact O-N 3.5Å | ||
| 151 | K | 42.9 | Very low | 53.3 | Low | 204 Ų | 204 | 120.7 Ų | 120.7 | 89% | 0.887 | 66% | 0.655 | S | S | * | * | trans | -73 | 87.4 | 171.8 | -174.8 | 172.5 | 177.8 | -178.5 | 0 | 107.9 | ||||
| 152 | F | 45.8 | Very low | 54.2 | Low | 142 Ų | 142 | 122.8 Ų | 122.8 | 62% | 0.623 | 65% | 0.653 | S | S | * | * | trans | -68.4 | 130.3 | 171.3 | -71.1 | -81.8 | 0 | 0 | 0 | 109 | V150 | V150-F152 VanDerWaalsContact C-N 3.29Å; V150-F152 HydrophobicContact CB-CD2 4.07Å; V150-F152 HydrophobicContact CB-CE2 3.62Å; V150-F152 HydrophobicContact CB-CZ 4.02Å; V150-F152 HydrophobicContact CG2-CE2 3.73Å; V150-F152 HydrophobicContact CG2-CZ 4.06Å; V150-F152 WeakPolarHBondContact O-CD2 3.41Å; V150-F152 PolarHBondContact O-N 3.5Å | ||
| 153 | P | 47.1 | Very low | 55 | Low | 96 Ų | 96 | 118.8 Ų | 118.8 | 62% | 0.623 | 63% | 0.633 | S | S | * | * | trans | -58.4 | 151.4 | 166.6 | 26.1 | -31.5 | 0 | 0 | 0 | 108.7 | N155 | P153-N155 PolarHBondContact O-N 3.45Š| ||
| 154 | P | 54.4 | Low | 55.7 | Low | 107 Ų | 107 | 117.4 Ų | 117.4 | 70% | 0.695 | 63% | 0.626 | S | S | * | * | trans | -64.8 | 102 | -170.6 | 28.7 | -35 | 0 | 0 | 0 | 109.3 | I156 | P154-I156 HydrophobicContact CB-CD1 3.66Å; P154-I156 HydrophobicContact CB-CG1 3.91Å; P154-I156 HydrophobicContact CG-CD1 4.23Å; P154-I156 PolarHBondContact O-N 3.5Å | ||
| 155 | N | 55.8 | Low | 56.5 | Low | 101 Ų | 101 | 120.6 Ų | 120.6 | 54% | 0.54 | 64% | 0.644 | S | S | . | * | trans | -72.8 | 80.4 | 171.8 | -86.7 | -58.5 | 0 | 0 | 0 | 107.9 | L140 P153 | L140-N155 HydrophobicContact CB-CB 4.36Å; L140-N155 WeakPolarHBondContact CB-O 3.16Å; L140-N155 HydrophobicContact CD1-CB 4.34Å; L140-N155 PolarHBondContact N-O 3.27Å; P153-N155 PolarHBondContact O-N 3.45Å | ||
| 156 | I | 67.1 | Low | 57.2 | Low | 85 Ų | 85 | 117.7 Ų | 117.7 | 44% | 0.436 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 132.1 | 179.6 | -72.6 | 169.5 | 0 | 0 | 0 | 108 | T137 P154 | T137-I156 HydrophobicContact CG2-CB 4.47Å; T137-I156 HydrophobicContact CG2-CG2 3.05Å; P154-I156 HydrophobicContact CB-CD1 3.66Å; P154-I156 HydrophobicContact CB-CG1 3.91Å; P154-I156 HydrophobicContact CG-CD1 4.23Å; P154-I156 PolarHBondContact O-N 3.5Å |
| 157 | V | 65.2 | Low | 58 | Low | 63 Ų | 63 | 113.4 Ų | 113.4 | 38% | 0.382 | 62% | 0.619 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.5 | 174.3 | 178.5 | 0 | 0 | 0 | 0 | 109.4 | T137 L138 L140 I159 | T137-V157 WeakPolarHBondContact CA-O 3.3Å; L138-V157 PolarHBondContact N-O 2.75Å; L138-V157 PolarHBondContact O-N 2.71Å; L140-V157 HydrophobicContact CD1-CG2 3.56Å; L140-V157 HydrophobicContact CD2-CG2 3.93Å; L140-V157 HydrophobicContact CG-CG2 3.71Å; V157-I159 HydrophobicContact CG1-CG1 4.27Å |
| 158 | N | 66.1 | Low | 58.7 | Low | 86 Ų | 86 | 115.5 Ų | 115.5 | 46% | 0.46 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.5 | 110.2 | 172.3 | -69.2 | -32.9 | 0 | 0 | 0 | 109.5 | T135 H136 T137 H160 | T135-N158 HydrophobicContact CG2-CB 3.94Å; H136-N158 CarbonylContact O-C 3.52Å; H136-N158 WeakPolarHBondContact O-CA 3.41Å; T137-N158 WeakPolarHBondContact CG2-OD1 3.48Å; T137-N158 PolarHBondContact OG1-OD1 3.44Å; N158-H160 PolarHBondContact O-ND1 3.35Å |
| 159 | I | 75.1 | Confident | 59.8 | Low | 78 Ų | 78 | 115.3 Ų | 115.3 | 40% | 0.4 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.5 | 118.9 | 176.2 | -56.7 | -172.5 | 0 | 0 | 0 | 108.9 | T135 H136 L138 V157 V161 | T135-I159 CarbonylContact C-O 3.56Å; T135-I159 VanDerWaalsContact CA-O 3.26Å; T135-I159 WeakPolarHBondContact CA-O 3.39Å; H136-I159 HydrophobicContact CB-CB 4.4Å; H136-I159 PolarHBondContact N-O 3.3Å; H136-I159 PolarHBondContact O-N 3.22Å; L138-I159 HydrophobicContact CD1-CD1 3.41Å; L138-I159 VanDerWaalsContact CD1-CD1 3.41Å; L138-I159 HydrophobicContact CD1-CG1 3.81Å; V157-I159 HydrophobicContact CG1-CG1 4.27Å; I159-V161 HydrophobicContact CG2-CG2 4.1Å |
| 160 | H | 75.6 | Confident | 61 | Low | 114 Ų | 114 | 108.9 Ų | 108.9 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.5 | 116.8 | 177.8 | -69 | 94.4 | 0 | 0 | 0 | 109.5 | H133 T135 N158 | H133-H160 AromaticContact CE1-CD2 3.38Å; H133-H160 PolarHBondContact CE1-CD2 2.88Å; H133-H160 AromaticContact CE1-CG 3.94Å; H133-H160 WeakPolarHBondContact NE2-CB 3.36Å; H133-H160 AromaticContact NE2-CD2 3.92Å; T135-H160 PolarHBondContact OG1-CD2 3.48Å; T135-H160 PolarHBondContact OG1-NE2 3.05Å; N158-H160 PolarHBondContact O-ND1 3.35Å |
| 161 | V | 78.5 | Confident | 62.2 | Low | 51 Ų | 51 | 110.7 Ų | 110.7 | 31% | 0.309 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.5 | 116.5 | -179.3 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | H133 S134 I159 | H133-V161 CarbonylContact C-O 3.31Å; H133-V161 WeakPolarHBondContact CA-O 3.45Å; H133-V161 PolarHBondContact CD2-O 3.09Å; S134-V161 PolarHBondContact N-O 3.12Å; S134-V161 PolarHBondContact O-N 3.48Å; I159-V161 HydrophobicContact CG2-CG2 4.1Å |
| 162 | K | 70.8 | Confident | 63.5 | Low | 170 Ų | 170 | 104 Ų | 104 | 74% | 0.739 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.3 | 125.4 | 168.4 | -74.4 | -176.7 | 179.1 | -178 | 0 | 109.4 | I132 H133 | I132-K162 VanDerWaalsContact O-CA 3.31Å; I132-K162 WeakPolarHBondContact O-CA 3.33Å; H133-K162 VanDerWaalsContact CD2-CG 3.49Å; H133-K162 WeakPolarHBondContact CD2-CG 3.39Å |
| 163 | H | 64.9 | Low | 64.9 | Low | 85 Ų | 85 | 101.1 Ų | 101.1 | 39% | 0.394 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -90.4 | 135.5 | 171.6 | -57.6 | 103.4 | 0 | 0 | 0 | 109 | V131 I132 S134 | V131-H163 PolarHBondContact O-ND1 2.98Å; I132-H163 PolarHBondContact O-N 2.78Å; S134-H163 PolarHBondContact OG-CE1 3.5Å; S134-H163 VanDerWaalsContact OG-CE1 3.29Å |
| 164 | P | 59.5 | Low | 66.4 | Low | 115 Ų | 115 | 101.5 Ų | 101.5 | 75% | 0.747 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -63 | 150.7 | 169.5 | 26 | -30.9 | 0 | 0 | 0 | 110.6 | ||
| 165 | P | 63.6 | Low | 67.5 | Low | 163 Ų | 163 | 101 Ų | 101 | 100% | 1.058 | 55% | 0.545 | S | S | * | . | trans | -62.7 | 0 | -177.3 | 26.2 | -33.7 | 0 | 0 | 0 | 113.4 |
Retrieved 165 of 165 residues in 28.1 ms
(Link to these results)