| 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 | 41.6 | Very low | 49.6 | Very low | 248 Ų | 248 | 137.6 Ų | 137.6 | 100% | 1.222 | 82% | 0.823 | S | S | * | * | 0 | 91.2 | 0 | -62.7 | 174 | -177.1 | 0 | 0 | 105.1 | |||||
| 2 | G | 45.1 | Very low | 50 | Low | 74 Ų | 74 | 135.2 Ų | 135.2 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | 75.3 | 122.4 | 80.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 3 | V | 44.1 | Very low | 50.1 | Low | 140 Ų | 140 | 133.2 Ų | 133.2 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | cis | -159.3 | 120.3 | 22.3 | 170.5 | 0 | 0 | 0 | 0 | 105.9 | G5 | V3-G5 PolarHBondContact O-N 2.95Š| ||
| 4 | G | 44.3 | Very low | 50.2 | Low | 82 Ų | 82 | 134.4 Ų | 134.4 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -90.3 | 92.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | A6 | G4-A6 PolarHBondContact O-N 3.24Å; G4-A6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | G | 45.3 | Very low | 50.4 | Low | 62 Ų | 62 | 132 Ų | 132 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | trans | -70.2 | 102.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | V3 F7 | V3-G5 PolarHBondContact O-N 2.95Å; G5-F7 PolarHBondContact O-N 3.44Å | ||
| 6 | A | 52.9 | Low | 50.8 | Low | 83 Ų | 83 | 131 Ų | 131 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | trans | -72.5 | 101.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | G4 H8 | G4-A6 PolarHBondContact O-N 3.24Å; G4-A6 VanDerWaalsContact O-N 3.13Å; A6-H8 PolarHBondContact O-N 3.48Å | ||
| 7 | F | 52.6 | Low | 51.2 | Low | 203 Ų | 203 | 128.1 Ų | 128.1 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | -72 | 92.2 | 168.2 | -101.8 | -91.6 | 0 | 0 | 0 | 108.8 | G5 L9 | G5-F7 PolarHBondContact O-N 3.44Å; F7-L9 PolarHBondContact O-N 3.08Å | ||
| 8 | H | 52.6 | Low | 51.6 | Low | 168 Ų | 168 | 130.4 Ų | 130.4 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | trans | -71.1 | 102.1 | 163.1 | -88.6 | -70.7 | 0 | 0 | 0 | 108.7 | A6 L10 | A6-H8 PolarHBondContact O-N 3.48Å; H8-L10 VanDerWaalsContact C-N 3.35Å; H8-L10 PolarHBondContact O-N 3.3Å | ||
| 9 | L | 56 | Low | 52.1 | Low | 155 Ų | 155 | 129.8 Ų | 129.8 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -64.8 | 94.8 | 163.7 | -98.6 | 140.8 | 0 | 0 | 0 | 108.3 | F7 L11 | F7-L9 PolarHBondContact O-N 3.08Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 3.07Å | ||
| 10 | L | 54.8 | Low | 52.9 | Low | 152 Ų | 152 | 126.7 Ų | 126.7 | 80% | 0.796 | 77% | 0.766 | S | S | * | * | trans | -66.3 | 95.7 | 163.1 | -104.4 | 145.1 | 0 | 0 | 0 | 107.3 | H8 V12 | H8-L10 VanDerWaalsContact C-N 3.35Å; H8-L10 PolarHBondContact O-N 3.3Å; L10-V12 VanDerWaalsContact C-N 3.26Å; L10-V12 PolarHBondContact O-N 3.07Å | ||
| 11 | L | 55.8 | Low | 54 | Low | 147 Ų | 147 | 121.1 Ų | 121.1 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | -66.4 | 92.6 | 165 | -130.8 | 103.1 | 0 | 0 | 0 | 106.5 | L9 C13 | L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 3.07Å; L11-C13 VanDerWaalsContact C-N 3.32Å; L11-C13 PolarHBondContact O-N 3.32Å | ||
| 12 | V | 54.6 | Low | 56.2 | Low | 108 Ų | 108 | 109.4 Ų | 109.4 | 66% | 0.655 | 68% | 0.676 | S | S | * | * | trans | -67.5 | 99.3 | 168.9 | -179.5 | 0 | 0 | 0 | 0 | 105.7 | L10 L14 | L10-V12 VanDerWaalsContact C-N 3.26Å; L10-V12 PolarHBondContact O-N 3.07Å; V12-L14 HydrophobicContact CG1-CG 4.19Å; V12-L14 PolarHBondContact O-N 2.72Å | ||
| 13 | C | 52.1 | Low | 58.2 | Low | 110 Ų | 110 | 111.2 Ų | 111.2 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | trans | -61.9 | 84 | 164 | -69.7 | 0 | 0 | 0 | 0 | 107.7 | L11 S15 | L11-C13 VanDerWaalsContact C-N 3.32Å; L11-C13 PolarHBondContact O-N 3.32Å; C13-S15 PolarHBondContact O-N 3.09Å | ||
| 14 | L | 51.3 | Low | 60.4 | Low | 150 Ų | 150 | 105.8 Ų | 105.8 | 79% | 0.785 | 63% | 0.626 | S | S | * | * | trans | -64.6 | 87.6 | 156.4 | -77.2 | 159.1 | 0 | 0 | 0 | 104.7 | V12 P16 | V12-L14 HydrophobicContact CG1-CG 4.19Å; V12-L14 PolarHBondContact O-N 2.72Å; L14-P16 VanDerWaalsContact O-CD 3.24Å; L14-P16 WeakPolarHBondContact O-CD 3.46Å | ||
| 15 | S | 53.6 | Low | 62 | Low | 98 Ų | 98 | 106.6 Ų | 106.6 | 69% | 0.685 | 61% | 0.611 | S | S | * | * | trans | -52.1 | 116.1 | 161.8 | 46.4 | 0 | 0 | 0 | 0 | 105.3 | C13 A17 | C13-S15 PolarHBondContact O-N 3.09Å; S15-A17 PolarHBondContact O-N 3.26Å | ||
| 16 | P | 55.8 | Low | 63 | Low | 116 Ų | 116 | 105.4 Ų | 105.4 | 75% | 0.753 | 60% | 0.598 | S | S | * | * | trans | -58.2 | 111.9 | 173.7 | 23.1 | -29 | 0 | 0 | 0 | 104.8 | L14 L18 | L14-P16 VanDerWaalsContact O-CD 3.24Å; L14-P16 WeakPolarHBondContact O-CD 3.46Å; P16-L18 VanDerWaalsContact C-N 3.33Å; P16-L18 PolarHBondContact O-N 2.71Å | ||
| 17 | A | 57.9 | Low | 63.2 | Low | 82 Ų | 82 | 109.1 Ų | 109.1 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | trans | -56.4 | 109.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 104.3 | S15 L19 | S15-A17 PolarHBondContact O-N 3.26Å; A17-L19 PolarHBondContact O-N 2.7Å | ||
| 18 | L | 59.2 | Low | 63.9 | Low | 169 Ų | 169 | 102.4 Ų | 102.4 | 89% | 0.885 | 60% | 0.595 | S | S | * | * | trans | -58.9 | 92.3 | 172.5 | -88.4 | 141.5 | 0 | 0 | 0 | 106 | P16 S20 | P16-L18 VanDerWaalsContact C-N 3.33Å; P16-L18 PolarHBondContact O-N 2.71Å; L18-S20 PolarHBondContact O-N 3.48Å | ||
| 19 | L | 60.3 | Low | 65 | Low | 120 Ų | 120 | 99.9 Ų | 99.9 | 63% | 0.628 | 58% | 0.584 | S | S | * | * | trans | -63.4 | 124.1 | 173.1 | -77.4 | 155.3 | 0 | 0 | 0 | 106.1 | A17 A21 | A17-L19 PolarHBondContact O-N 2.7Å; L19-A21 PolarHBondContact O-N 3.39Å; L19-A21 VanDerWaalsContact O-N 3.14Å | ||
| 20 | S | 67.7 | Low | 66.5 | Low | 66 Ų | 66 | 95.9 Ų | 95.9 | 46% | 0.462 | 56% | 0.561 | S | S | . | * | trans | -66.2 | 113.5 | 176.1 | -52.7 | 0 | 0 | 0 | 0 | 108.5 | L18 V22 R23 | L18-S20 PolarHBondContact O-N 3.48Å; S20-V22 PolarHBondContact O-N 2.77Å; S20-R23 PolarHBondContact O-NE 3.01Å | ||
| 21 | A | 77.3 | Confident | 68.3 | Low | 10 Ų | 10 | 91.9 Ų | 91.9 | 8% | 0.083 | 54% | 0.542 | C | S | . | . | S | Bend | trans | -65.7 | -21.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L19 L48 D49 D52 T132 | L19-A21 PolarHBondContact O-N 3.39Å; L19-A21 VanDerWaalsContact O-N 3.14Å; A21-L48 CarbonylContact O-C 3.58Å; A21-L48 WeakPolarHBondContact O-CA 3.45Å; A21-D49 WeakPolarHBondContact CA-OD2 3.4Å; A21-D49 PolarHBondContact O-N 3.04Å; A21-D52 WeakPolarHBondContact CB-OD2 3.39Å; A21-T132 HydrophobicContact CB-CG2 3.82Å; A21-T132 WeakPolarHBondContact CB-OG1 3.14Å; A21-T132 PolarHBondContact N-OG1 3.11Å |
| 22 | V | 87.4 | Confident | 70 | Confident | 3 Ų | 3 | 86.6 Ų | 86.6 | 2% | 0.018 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 135.4 | 171.5 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | S20 L48 V128 K130 T132 A134 | S20-V22 PolarHBondContact O-N 2.77Å; V22-L48 HydrophobicContact CB-CD2 4.35Å; V22-L48 HydrophobicContact CG1-CD2 4.17Å; V22-L48 HydrophobicContact CG2-CD2 3.7Å; V22-V128 HydrophobicContact CG1-CB 4.03Å; V22-V128 HydrophobicContact CG1-CG1 3.79Å; V22-K130 HydrophobicContact CG2-CB 3.48Å; V22-K130 VanDerWaalsContact CG2-CB 3.48Å; V22-T132 WeakPolarHBondContact CG2-O 3.44Å; V22-T132 PolarHBondContact N-OG1 3.33Å; V22-A134 HydrophobicContact CB-CB 4.15Å; V22-A134 HydrophobicContact CG1-CB 3.8Å |
| 23 | R | 87.3 | Confident | 71.9 | Confident | 112 Ų | 112 | 86.9 Ų | 86.9 | 42% | 0.423 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 135.9 | 173.5 | -56.6 | -175.8 | -166.9 | -179.6 | 6.5 | 109.7 | S20 Y46 V47 | S20-R23 PolarHBondContact O-NE 3.01Å; R23-Y46 CarbonylContact O-C 3.46Å; R23-Y46 VanDerWaalsContact O-CA 3.26Å; R23-Y46 WeakPolarHBondContact O-CA 3.27Å; R23-V47 PolarHBondContact N-O 2.82Å; R23-V47 PolarHBondContact O-N 3.29Å |
| 24 | I | 89 | Confident | 74 | Confident | 26 Ų | 26 | 83 Ų | 83 | 13% | 0.133 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 127.5 | 172.8 | -63.8 | 167.7 | 0 | 0 | 0 | 107.5 | G26 V128 A134 R136 | I24-G26 PolarHBondContact O-N 3.11Å; I24-V128 HydrophobicContact CD1-CB 4.46Å; I24-V128 HydrophobicContact CD1-CG2 4.07Å; I24-V128 HydrophobicContact CG1-CG2 4.35Å; I24-A134 VanDerWaalsContact CD1-C 3.5Å; I24-A134 HydrophobicContact CD1-CB 3.8Å; I24-A134 WeakPolarHBondContact CD1-O 3.37Å; I24-A134 HydrophobicContact CG1-CB 3.77Å; I24-R136 HydrophobicContact CD1-CB 4.24Å; I24-R136 HydrophobicContact CG2-CB 3.8Å; I24-R136 HydrophobicContact CG2-CG 4.43Å |
| 25 | N | 78.2 | Confident | 76 | Confident | 99 Ų | 99 | 75.9 Ų | 75.9 | 53% | 0.529 | 44% | 0.44 | S | S | . | . | trans | -79.3 | 105.7 | 175 | -70.4 | -22.1 | 0 | 0 | 0 | 108.1 | P45 R136 | N25-P45 HydrophobicContact CB-CG 4.28Å; N25-P45 PolarHBondContact N-O 3.14Å; N25-R136 PolarHBondContact O-NH1 2.85Å | ||
| 26 | G | 67.3 | Low | 77.9 | Confident | 36 Ų | 36 | 75.7 Ų | 75.7 | 37% | 0.371 | 43% | 0.428 | S | S | . | . | trans | 180 | 129.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I24 G28 | I24-G26 PolarHBondContact O-N 3.11Å; G26-G28 PolarHBondContact O-N 3.48Å | ||
| 27 | D | 56.9 | Low | 79.7 | Confident | 161 Ų | 161 | 72 Ų | 72 | 86% | 0.861 | 41% | 0.411 | S | S | * | . | trans | -79.5 | 117.7 | 179.2 | -65 | -35.1 | 0 | 0 | 0 | 110.2 | ||||
| 28 | G | 66.6 | Low | 81.4 | Confident | 63 Ų | 63 | 71.2 Ų | 71.2 | 65% | 0.649 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 52.2 | -155.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | G26 | G26-G28 PolarHBondContact O-N 3.48Š|
| 29 | Q | 75.5 | Confident | 83.2 | Confident | 115 Ų | 115 | 68.7 Ų | 68.7 | 54% | 0.537 | 38% | 0.383 | S | S | . | . | trans | -91.8 | 106 | 177 | -169.3 | 169.4 | 16.9 | 0 | 0 | 109.1 | K137 I139 | Q29-K137 HydrophobicContact CG-CB 4.29Å; Q29-I139 HydrophobicContact CG-CD1 3.79Å; Q29-I139 HydrophobicContact CG-CG1 3.95Å; Q29-I139 VanDerWaalsContact NE2-CD1 3.29Å | ||
| 30 | E | 88.2 | Confident | 84.8 | Confident | 70 Ų | 70 | 63.9 Ų | 63.9 | 33% | 0.327 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 138.4 | 180 | -177.5 | 177.7 | -171.3 | 0 | 0 | 110.8 | L32 R136 K137 V138 I139 | E30-L32 HydrophobicContact CG-CD2 4.13Å; E30-L32 HydrophobicContact CG-CG 4.3Å; E30-R136 IonicContact OE2-CZ 2.74Å; E30-R136 IonicContact OE2-NH2 3.04Å; E30-R136 PolarHBondContact OE2-NH2 2.89Å; E30-K137 PolarHBondContact N-O 3.41Å; E30-V138 HydrophobicContact CB-CG1 4.3Å; E30-V138 HydrophobicContact CG-CG1 4.44Å; E30-V138 CarbonylContact O-C 3.51Å; E30-V138 WeakPolarHBondContact O-CA 3.37Å; E30-I139 PolarHBondContact O-N 3.15Å |
| 31 | V | 91.9 | Very high | 86.1 | Confident | 68 Ų | 68 | 67.6 Ų | 67.6 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121.5 | 177.5 | -172.6 | 0 | 0 | 0 | 0 | 109.5 | Y33 I139 | V31-Y33 HydrophobicContact CG1-CE2 4.04Å; V31-I139 CarbonylContact C-O 3.52Å; V31-I139 WeakPolarHBondContact CA-O 3.47Å; V31-I139 HydrophobicContact CG1-CB 4.34Å; V31-I139 HydrophobicContact CG1-CG2 4.3Å; V31-I139 HydrophobicContact CG2-CB 4.22Å; V31-I139 HydrophobicContact CG2-CD1 4.01Å |
| 32 | L | 93 | Very high | 87 | Confident | 36 Ų | 36 | 67.1 Ų | 67.1 | 19% | 0.188 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.6 | -179.3 | -61.5 | 178.4 | 0 | 0 | 0 | 110.7 | E30 L34 V40 L42 V138 I139 T141 | E30-L32 HydrophobicContact CG-CD2 4.13Å; E30-L32 HydrophobicContact CG-CG 4.3Å; L32-L34 HydrophobicContact CB-CD1 4.29Å; L32-L34 HydrophobicContact CB-CG 4.23Å; L32-V40 HydrophobicContact CD1-CG2 4.28Å; L32-L42 HydrophobicContact CD1-CD2 3.75Å; L32-V138 HydrophobicContact CD1-CG1 3.75Å; L32-V138 HydrophobicContact CG-CG1 4.05Å; L32-I139 PolarHBondContact N-O 2.87Å; L32-T141 PolarHBondContact O-N 3.08Å |
| 33 | Y | 94 | Very high | 87.3 | Confident | 115 Ų | 115 | 68 Ų | 68 | 45% | 0.451 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.3 | 169.7 | -65.7 | -79.5 | 0 | 0 | 0 | 109.1 | V31 T141 Q143 N244 | V31-Y33 HydrophobicContact CG1-CE2 4.04Å; Y33-T141 WeakPolarHBondContact CA-O 3.4Å; Y33-T141 HydrophobicContact CD1-CG2 3.99Å; Y33-T141 HydrophobicContact CE1-CG2 4.02Å; Y33-Q143 VanDerWaalsContact CD1-NE2 3.31Å; Y33-N244 HydrophobicContact CD1-CB 3.79Å; Y33-N244 HydrophobicContact CD2-CB 4.39Å; Y33-N244 HydrophobicContact CE1-CB 4.43Å; Y33-N244 HydrophobicContact CG-CB 3.77Å |
| 34 | L | 94.8 | Very high | 87.6 | Confident | 27 Ų | 27 | 62.7 Ų | 62.7 | 14% | 0.141 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.3 | -171.6 | -57.7 | 169.1 | 0 | 0 | 0 | 110.2 | L32 V40 L116 V140 T141 V142 Q143 | L32-L34 HydrophobicContact CB-CD1 4.29Å; L32-L34 HydrophobicContact CB-CG 4.23Å; L34-V40 HydrophobicContact CD1-CB 3.73Å; L34-V40 HydrophobicContact CD1-CG1 3.73Å; L34-V40 HydrophobicContact CD1-CG2 3.73Å; L34-V40 HydrophobicContact CD2-CB 4.42Å; L34-V40 HydrophobicContact CD2-CG2 4.1Å; L34-L116 HydrophobicContact CB-CD1 3.68Å; L34-L116 HydrophobicContact CD1-CD1 3.52Å; L34-L116 HydrophobicContact CG-CD1 4.18Å; L34-V140 HydrophobicContact CD1-CG1 3.82Å; L34-T141 PolarHBondContact N-O 2.93Å; L34-V142 CarbonylContact O-C 3.54Å; L34-V142 WeakPolarHBondContact O-CA 3.33Å; L34-Q143 PolarHBondContact O-N 2.85Å |
| 35 | A | 93.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 2% | 0.017 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 148.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G37 D38 Q143 R145 V245 | A35-G37 PolarHBondContact O-N 2.59Å; A35-D38 VanDerWaalsContact CB-OD2 3.27Å; A35-D38 WeakPolarHBondContact CB-OD2 3.43Å; A35-D38 PolarHBondContact N-OD2 2.96Å; A35-D38 VanDerWaalsContact N-OD2 3.13Å; A35-D38 VanDerWaalsContact O-CB 3.29Å; A35-D38 WeakPolarHBondContact O-CB 3.5Å; A35-D38 PolarHBondContact O-N 2.73Å; A35-D38 VanDerWaalsContact O-N 3.13Å; A35-Q143 CarbonylContact C-O 3.59Å; A35-Q143 WeakPolarHBondContact CA-O 3.49Å; A35-R145 HydrophobicContact CB-CG 4.39Å; A35-V245 HydrophobicContact CB-CB 4.15Å; A35-V245 HydrophobicContact CB-CG2 4.35Å |
| 36 | E | 94.4 | Very high | 88.5 | Confident | 94 Ų | 94 | 59.1 Ų | 59.1 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 134 | 167 | -175.7 | 178.6 | -159.7 | 0 | 0 | 110.8 | D38 V118 V142 Q143 | E36-D38 VanDerWaalsContact C-N 3.33Å; E36-V118 HydrophobicContact CB-CG2 4.49Å; E36-V142 HydrophobicContact CB-CG1 4.44Å; E36-Q143 PolarHBondContact N-O 3.43Å |
| 37 | G | 93.6 | Very high | 89.6 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 40% | 0.402 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -11.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A35 L116 | A35-G37 PolarHBondContact O-N 2.59Å; G37-L116 PolarHBondContact N-O 2.83Å |
| 38 | D | 93.8 | Very high | 91.2 | Very high | 65 Ų | 65 | 53.4 Ų | 53.4 | 35% | 0.348 | 30% | 0.295 | S | S | . | . | trans | -69 | 164.6 | 178.1 | -73.4 | -13.6 | 0 | 0 | 0 | 112.1 | A35 E36 N115 L116 | A35-D38 VanDerWaalsContact CB-OD2 3.27Å; A35-D38 WeakPolarHBondContact CB-OD2 3.43Å; A35-D38 PolarHBondContact N-OD2 2.96Å; A35-D38 VanDerWaalsContact N-OD2 3.13Å; A35-D38 VanDerWaalsContact O-CB 3.29Å; A35-D38 WeakPolarHBondContact O-CB 3.5Å; A35-D38 PolarHBondContact O-N 2.73Å; A35-D38 VanDerWaalsContact O-N 3.13Å; E36-D38 VanDerWaalsContact C-N 3.33Å; D38-N115 PolarHBondContact O-N 2.52Å; D38-L116 HydrophobicContact CB-CD1 4.18Å; D38-L116 VanDerWaalsContact O-CG 3.27Å; D38-L116 WeakPolarHBondContact O-CG 3.32Å; D38-L116 PolarHBondContact O-N 2.96Å | ||
| 39 | N | 95.3 | Very high | 92.1 | Very high | 115 Ų | 115 | 52.5 Ų | 52.5 | 62% | 0.615 | 28% | 0.275 | S | S | * | . | trans | -114.2 | 137.4 | 170.9 | -59 | -34.4 | 0 | 0 | 0 | 109.1 | L113 M114 N115 | N39-L113 WeakPolarHBondContact CA-O 3.42Å; N39-M114 WeakPolarHBondContact OD1-CA 3.32Å; N39-M114 WeakPolarHBondContact OD1-CB 3.07Å; N39-N115 PolarHBondContact OD1-N 3.03Å | ||
| 40 | V | 95.2 | Very high | 92.6 | Very high | 20 Ų | 20 | 51.2 Ų | 51.2 | 12% | 0.121 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 144.6 | -178.9 | 69.1 | 0 | 0 | 0 | 0 | 112 | L32 L34 L42 N112 L113 L116 | L32-V40 HydrophobicContact CD1-CG2 4.28Å; L34-V40 HydrophobicContact CD1-CB 3.73Å; L34-V40 HydrophobicContact CD1-CG1 3.73Å; L34-V40 HydrophobicContact CD1-CG2 3.73Å; L34-V40 HydrophobicContact CD2-CB 4.42Å; L34-V40 HydrophobicContact CD2-CG2 4.1Å; V40-L42 HydrophobicContact CG1-CD2 4.1Å; V40-L42 HydrophobicContact CG1-CG 4.49Å; V40-L42 HydrophobicContact CG2-CD2 4.07Å; V40-N112 WeakPolarHBondContact O-CA 3.43Å; V40-L113 HydrophobicContact CG1-CB 4.1Å; V40-L113 PolarHBondContact N-O 3.15Å; V40-L113 PolarHBondContact O-N 3.4Å; V40-L116 HydrophobicContact CB-CD1 4.2Å; V40-L116 HydrophobicContact CG1-CD1 3.91Å; V40-L116 HydrophobicContact CG1-CD2 4.15Å; V40-L116 HydrophobicContact CG1-CG 4.44Å |
| 41 | R | 95.3 | Very high | 92.3 | Very high | 143 Ų | 143 | 56.9 Ų | 56.9 | 54% | 0.54 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 115.9 | 167.9 | -177.4 | 177.9 | 178.3 | -177.9 | 2.9 | 109.2 | A100 D108 I111 N112 | R41-A100 HydrophobicContact CG-CB 4.41Å; R41-D108 IonicContact CZ-OD2 3.98Å; R41-D108 IonicContact NH2-OD2 2.73Å; R41-D108 PolarHBondContact NH2-OD2 2.79Å; R41-I111 CarbonylContact C-O 3.58Å; R41-I111 VanDerWaalsContact CA-O 3.31Å; R41-I111 WeakPolarHBondContact CA-O 3.38Å; R41-N112 WeakPolarHBondContact CB-OD1 3.48Å; R41-N112 WeakPolarHBondContact CG-OD1 3.27Å |
| 42 | L | 94.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 111.3 | 171.9 | -53.7 | -175.1 | 0 | 0 | 0 | 108.5 | L32 V40 W62 S110 I111 Y124 V138 V140 | L32-L42 HydrophobicContact CD1-CD2 3.75Å; V40-L42 HydrophobicContact CG1-CD2 4.1Å; V40-L42 HydrophobicContact CG1-CG 4.49Å; V40-L42 HydrophobicContact CG2-CD2 4.07Å; L42-W62 HydrophobicContact CB-CH2 3.52Å; L42-W62 HydrophobicContact CB-CZ2 4.16Å; L42-W62 HydrophobicContact CB-CZ3 4.1Å; L42-W62 HydrophobicContact CD1-CH2 4.21Å; L42-W62 HydrophobicContact CD1-CZ3 3.91Å; L42-S110 VanDerWaalsContact O-CA 3.27Å; L42-S110 WeakPolarHBondContact O-CA 3.5Å; L42-S110 WeakPolarHBondContact O-CB 3.3Å; L42-I111 HydrophobicContact CB-CG1 3.93Å; L42-I111 HydrophobicContact CD1-CD1 4.16Å; L42-I111 HydrophobicContact CD1-CG1 4.37Å; L42-I111 HydrophobicContact CG-CG1 4.37Å; L42-I111 PolarHBondContact N-O 2.88Å; L42-I111 PolarHBondContact O-N 3.07Å; L42-I111 VanDerWaalsContact O-N 3.07Å; L42-Y124 HydrophobicContact CD1-CD1 4.38Å; L42-Y124 HydrophobicContact CD1-CD2 4.42Å; L42-Y124 HydrophobicContact CD1-CG 4.03Å; L42-V138 HydrophobicContact CD2-CG1 4.23Å; L42-V140 HydrophobicContact CD1-CG2 4.2Å; L42-V140 HydrophobicContact CD2-CG2 3.92Å |
| 43 | G | 93.7 | Very high | 91.3 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 22% | 0.216 | 31% | 0.305 | C | S | . | . | trans | -73.1 | 128.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S110 R136 | G43-S110 WeakPolarHBondContact CA-OG 3.28Å; G43-R136 PolarHBondContact O-NE 2.83Å; G43-R136 PolarHBondContact O-NH1 2.96Å; G43-R136 VanDerWaalsContact O-NH1 3.09Å | ||
| 44 | C | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -144.7 | 62.3 | 169.4 | -167.8 | 0 | 0 | 0 | 0 | 112 | W62 A109 S110 C126 | C44-W62 HydrophobicContact CB-CH2 4.5Å; C44-W62 HydrophobicContact CB-CZ2 3.72Å; C44-A109 HydrophobicContact CB-CB 4.16Å; C44-A109 WeakPolarHBondContact O-CA 3.26Å; C44-A109 WeakPolarHBondContact O-CB 3.41Å; C44-A109 PolarHBondContact O-N 3.27Å; C44-S110 PolarHBondContact N-OG 3.13Å; C44-C126 HydrophobicContact CB-CB 3.73Å; C44-C126 WeakPolarHBondContact CB-SG 3.41Å; C44-C126 WeakPolarHBondContact SG-CB 3.49Å; C44-C126 CovalentContact SG-SG 2.03Å; C44-C126 PolarHBondContact SG-SG 2.77Å | ||
| 45 | P | 93.9 | Very high | 89.2 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 31% | 0.312 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -70.9 | 133.7 | 170.6 | 30.2 | -32.9 | 0 | 0 | 0 | 110.2 | N25 | N25-P45 HydrophobicContact CB-CG 4.28Å; N25-P45 PolarHBondContact N-O 3.14Å |
| 46 | Y | 92.3 | Very high | 88.5 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 154.1 | -180 | 69 | -86 | 0 | 0 | 0 | 111.6 | R23 L48 L58 I60 P104 S105 Y107 A109 V128 | R23-Y46 CarbonylContact O-C 3.46Å; R23-Y46 VanDerWaalsContact O-CA 3.26Å; R23-Y46 WeakPolarHBondContact O-CA 3.27Å; Y46-L48 HydrophobicContact CD2-CD2 3.88Å; Y46-L48 HydrophobicContact CD2-CG 4.06Å; Y46-L48 HydrophobicContact CE2-CD1 4.17Å; Y46-L48 HydrophobicContact CE2-CD2 3.95Å; Y46-L48 HydrophobicContact CE2-CG 3.9Å; Y46-L58 HydrophobicContact CE2-CD1 4.13Å; Y46-L58 VanDerWaalsContact OH-CD2 3.26Å; Y46-L58 WeakPolarHBondContact OH-CD2 3.17Å; Y46-I60 HydrophobicContact CE1-CD1 4.02Å; Y46-P104 WeakPolarHBondContact CE1-O 3.34Å; Y46-P104 PolarHBondContact OH-O 3.29Å; Y46-S105 WeakPolarHBondContact OH-CA 3.45Å; Y46-S105 PolarHBondContact OH-O 3.09Å; Y46-Y107 VanDerWaalsContact CE1-C 3.46Å; Y46-Y107 HydrophobicContact CE2-CD1 4.06Å; Y46-Y107 VanDerWaalsContact CZ-CA 3.49Å; Y46-Y107 PolarHBondContact N-O 2.89Å; Y46-Y107 WeakPolarHBondContact O-CB 3.49Å; Y46-Y107 PolarHBondContact OH-N 2.85Å; Y46-A109 HydrophobicContact CD1-CB 3.89Å; Y46-A109 HydrophobicContact CE1-CB 4.03Å; Y46-V128 HydrophobicContact CD1-CG1 4.31Å; Y46-V128 HydrophobicContact CD1-CG2 4.16Å; Y46-V128 HydrophobicContact CD2-CG1 3.95Å; Y46-V128 HydrophobicContact CE2-CG1 4.28Å; Y46-V128 HydrophobicContact CG-CG1 3.98Å; Y46-V128 HydrophobicContact CG-CG2 4.25Å |
| 47 | V | 90.8 | Very high | 88 | Confident | 69 Ų | 69 | 62.3 Ų | 62.3 | 42% | 0.418 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136.9 | 176.5 | -174.8 | 0 | 0 | 0 | 0 | 107.8 | R23 | R23-V47 PolarHBondContact N-O 2.82Å; R23-V47 PolarHBondContact O-N 3.29Å |
| 48 | L | 89.6 | Confident | 87.9 | Confident | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 145.6 | 173.3 | -58.4 | -179.9 | 0 | 0 | 0 | 109.3 | A21 V22 Y46 D52 Y53 Y107 K130 | A21-L48 CarbonylContact O-C 3.58Å; A21-L48 WeakPolarHBondContact O-CA 3.45Å; V22-L48 HydrophobicContact CB-CD2 4.35Å; V22-L48 HydrophobicContact CG1-CD2 4.17Å; V22-L48 HydrophobicContact CG2-CD2 3.7Å; Y46-L48 HydrophobicContact CD2-CD2 3.88Å; Y46-L48 HydrophobicContact CD2-CG 4.06Å; Y46-L48 HydrophobicContact CE2-CD1 4.17Å; Y46-L48 HydrophobicContact CE2-CD2 3.95Å; Y46-L48 HydrophobicContact CE2-CG 3.9Å; L48-D52 HydrophobicContact CB-CB 4.42Å; L48-Y53 HydrophobicContact CB-CD1 4.17Å; L48-Y53 HydrophobicContact CB-CE1 4.25Å; L48-Y53 WeakPolarHBondContact O-CE1 3.43Å; L48-Y107 HydrophobicContact CB-CE1 4.44Å; L48-Y107 HydrophobicContact CD1-CE1 4.05Å; L48-Y107 HydrophobicContact CG-CD1 4.43Å; L48-Y107 HydrophobicContact CG-CE1 4.17Å; L48-K130 HydrophobicContact CD2-CB 4.43Å; L48-K130 HydrophobicContact CD2-CG 4.46Å |
| 49 | D | 86.4 | Confident | 87.9 | Confident | 43 Ų | 43 | 59 Ų | 59 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | trans | -68.4 | 152.3 | 167.2 | -82.2 | -20.8 | 0 | 0 | 0 | 110 | A21 E51 D52 Y53 | A21-D49 WeakPolarHBondContact CA-OD2 3.4Å; A21-D49 PolarHBondContact O-N 3.04Å; D49-E51 PolarHBondContact O-N 2.82Å; D49-E51 VanDerWaalsContact O-N 3.08Å; D49-D52 PolarHBondContact O-N 3.08Å; D49-Y53 WeakPolarHBondContact O-CD1 3.31Å | ||
| 50 | P | 84.3 | Confident | 87.9 | Confident | 88 Ų | 88 | 53.6 Ų | 53.6 | 57% | 0.571 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -57.1 | -27.8 | -175.4 | -26.4 | 35 | 0 | 0 | 0 | 115.1 | D52 Y53 | P50-D52 VanDerWaalsContact C-N 3.27Å; P50-D52 PolarHBondContact O-N 2.95Å; P50-Y53 HydrophobicContact CB-CD2 4.28Å; P50-Y53 HydrophobicContact CB-CE2 3.89Å; P50-Y53 HydrophobicContact CG-CE2 4.36Å; P50-Y53 WeakPolarHBondContact O-CB 3.48Å; P50-Y53 PolarHBondContact O-N 3.47Å |
| 51 | E | 82.8 | Confident | 87.9 | Confident | 190 Ų | 190 | 53.8 Ų | 53.8 | 89% | 0.888 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -71.4 | -24.1 | 177.8 | -57.3 | -162.2 | 167.6 | 0 | 0 | 112.8 | D49 | D49-E51 PolarHBondContact O-N 2.82Å; D49-E51 VanDerWaalsContact O-N 3.08Å |
| 52 | D | 82.1 | Confident | 87.8 | Confident | 18 Ų | 18 | 47 Ų | 47 | 10% | 0.096 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -96.1 | 6.3 | -179.6 | -89.6 | 10 | 0 | 0 | 0 | 112.6 | A21 L48 D49 P50 G54 K130 T131 | A21-D52 WeakPolarHBondContact CB-OD2 3.39Å; L48-D52 HydrophobicContact CB-CB 4.42Å; D49-D52 PolarHBondContact O-N 3.08Å; P50-D52 VanDerWaalsContact C-N 3.27Å; P50-D52 PolarHBondContact O-N 2.95Å; D52-G54 PolarHBondContact O-N 3.47Å; D52-K130 HydrophobicContact CB-CG 3.95Å; D52-K130 WeakPolarHBondContact O-CE 3.38Å; D52-K130 VanDerWaalsContact OD2-CG 3.27Å; D52-K130 WeakPolarHBondContact OD2-CG 3.37Å; D52-T131 WeakPolarHBondContact OD1-CB 3.1Å; D52-T131 PolarHBondContact OD1-OG1 2.81Å; D52-T131 WeakPolarHBondContact OD2-CB 3.07Å; D52-T131 PolarHBondContact OD2-N 2.84Å; D52-T131 PolarHBondContact OD2-OG1 2.71Å; D52-T131 VanDerWaalsContact OD2-OG1 3.14Å |
| 53 | Y | 81.6 | Confident | 87.6 | Confident | 138 Ų | 138 | 47 Ų | 47 | 54% | 0.541 | 28% | 0.275 | S | S | . | . | trans | -62.6 | 126.2 | 176.5 | -71.9 | -8.3 | 0 | 0 | 0 | 111.3 | L48 D49 P50 | L48-Y53 HydrophobicContact CB-CD1 4.17Å; L48-Y53 HydrophobicContact CB-CE1 4.25Å; L48-Y53 WeakPolarHBondContact O-CE1 3.43Å; D49-Y53 WeakPolarHBondContact O-CD1 3.31Å; P50-Y53 HydrophobicContact CB-CD2 4.28Å; P50-Y53 HydrophobicContact CB-CE2 3.89Å; P50-Y53 HydrophobicContact CG-CE2 4.36Å; P50-Y53 WeakPolarHBondContact O-CB 3.48Å; P50-Y53 PolarHBondContact O-N 3.47Å | ||
| 54 | G | 75.3 | Confident | 87.4 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 37% | 0.371 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 144.2 | 158.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D52 N56 K130 | D52-G54 PolarHBondContact O-N 3.47Å; G54-N56 VanDerWaalsContact C-N 3.33Å; G54-N56 PolarHBondContact O-N 2.72Å; G54-K130 PolarHBondContact O-NZ 2.87Å |
| 55 | P | 70.4 | Confident | 86.9 | Confident | 70 Ų | 70 | 49.3 Ų | 49.3 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -78.6 | -16.9 | -176.2 | 30.4 | -34.6 | 0 | 0 | 0 | 113.5 | ||
| 56 | N | 79.1 | Confident | 85.7 | Confident | 137 Ų | 137 | 51 Ų | 51 | 73% | 0.733 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 136.7 | -169.5 | -60.8 | -18.4 | 0 | 0 | 0 | 111.7 | G54 L58 K130 | G54-N56 VanDerWaalsContact C-N 3.33Å; G54-N56 PolarHBondContact O-N 2.72Å; N56-L58 VanDerWaalsContact C-N 3.26Å; N56-L58 PolarHBondContact O-N 3.44Å; N56-K130 WeakPolarHBondContact O-CE 3.33Å; N56-K130 PolarHBondContact O-NZ 3.01Å |
| 57 | G | 83.4 | Confident | 84 | Confident | 57 Ų | 57 | 56 Ų | 56 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 15.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K130 | G57-K130 WeakPolarHBondContact O-CD 3.35Š|
| 58 | L | 91.3 | Very high | 82.4 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | trans | -79.3 | 123.5 | 166.7 | 178.5 | 69.7 | 0 | 0 | 0 | 109 | Y46 N56 I60 Y80 V128 K130 | Y46-L58 HydrophobicContact CE2-CD1 4.13Å; Y46-L58 VanDerWaalsContact OH-CD2 3.26Å; Y46-L58 WeakPolarHBondContact OH-CD2 3.17Å; N56-L58 VanDerWaalsContact C-N 3.26Å; N56-L58 PolarHBondContact O-N 3.44Å; L58-I60 HydrophobicContact CD1-CD1 4.49Å; L58-I60 HydrophobicContact CD1-CG1 4.27Å; L58-I60 HydrophobicContact CD2-CD1 3.96Å; L58-I60 HydrophobicContact CG-CD1 4.23Å; L58-I60 HydrophobicContact CG-CG1 4.24Å; L58-Y80 HydrophobicContact CD2-CE1 4.39Å; L58-V128 HydrophobicContact CD1-CG1 3.92Å; L58-K130 HydrophobicContact CB-CD 4.31Å | ||
| 59 | D | 93.9 | Very high | 80.7 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 13% | 0.128 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 122.6 | 174.6 | 168.1 | 39.6 | 0 | 0 | 0 | 109.2 | Q81 K129 | D59-Q81 HydrophobicContact CB-CG 4.14Å; D59-Q81 VanDerWaalsContact OD1-CD 3.31Å; D59-Q81 WeakPolarHBondContact OD1-CG 3.04Å; D59-Q81 PolarHBondContact OD1-NE2 2.97Å; D59-K129 HydrophobicContact CB-CB 4.12Å; D59-K129 PolarHBondContact N-O 2.9Å; D59-K129 PolarHBondContact O-N 2.75Å; D59-K129 WeakPolarHBondContact OD2-CD 3.43Å; D59-K129 WeakPolarHBondContact OD2-CE 3.34Å; D59-K129 IonicContact OD2-NZ 3.66Å; D59-K129 PolarHBondContact OD2-NZ 3.42Å |
| 60 | I | 95.4 | Very high | 79.2 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128.4 | 177.8 | -62.7 | 160.6 | 0 | 0 | 0 | 108 | Y46 L58 S79 Y80 F99 P104 A109 R127 V128 | Y46-I60 HydrophobicContact CE1-CD1 4.02Å; L58-I60 HydrophobicContact CD1-CD1 4.49Å; L58-I60 HydrophobicContact CD1-CG1 4.27Å; L58-I60 HydrophobicContact CD2-CD1 3.96Å; L58-I60 HydrophobicContact CG-CD1 4.23Å; L58-I60 HydrophobicContact CG-CG1 4.24Å; I60-S79 CarbonylContact O-C 3.6Å; I60-S79 WeakPolarHBondContact O-CA 3.31Å; I60-S79 VanDerWaalsContact O-CB 3.31Å; I60-S79 WeakPolarHBondContact O-CB 3.26Å; I60-Y80 HydrophobicContact CD1-CD1 4.27Å; I60-Y80 PolarHBondContact N-O 2.89Å; I60-Y80 PolarHBondContact O-N 2.85Å; I60-F99 HydrophobicContact CG2-CE1 3.98Å; I60-F99 HydrophobicContact CG2-CZ 4.24Å; I60-P104 HydrophobicContact CD1-CB 3.75Å; I60-A109 HydrophobicContact CD1-CB 4.02Å; I60-A109 HydrophobicContact CG1-CB 4.32Å; I60-A109 HydrophobicContact CG2-CB 3.62Å; I60-R127 CarbonylContact C-O 3.43Å; I60-R127 WeakPolarHBondContact CA-O 3.38Å; I60-V128 HydrophobicContact CG1-CG1 4.22Å; I60-V128 HydrophobicContact CG1-CG2 4.34Å |
| 61 | E | 94.4 | Very high | 77.6 | Confident | 24 Ų | 24 | 63.1 Ų | 63.1 | 11% | 0.112 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 138 | 179.4 | -65.2 | 173.7 | 162.8 | 0 | 0 | 110.6 | V76 R127 K129 | E61-V76 HydrophobicContact CB-CG1 4.27Å; E61-V76 HydrophobicContact CG-CG1 4.39Å; E61-R127 HydrophobicContact CB-CB 4.34Å; E61-R127 PolarHBondContact N-O 2.82Å; E61-R127 PolarHBondContact O-N 2.96Å; E61-R127 IonicContact OE2-NH1 3.92Å; E61-K129 IonicContact OE1-NZ 3.74Å; E61-K129 PolarHBondContact OE1-NZ 3.4Å; E61-K129 WeakPolarHBondContact OE2-CE 3.48Å; E61-K129 IonicContact OE2-NZ 2.88Å; E61-K129 PolarHBondContact OE2-NZ 3.28Å |
| 62 | W | 94.3 | Very high | 76.2 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.5 | 166.3 | -85.6 | 91.7 | 0 | 0 | 0 | 109.9 | L42 C44 V76 F77 L78 A109 I111 E125 C126 | L42-W62 HydrophobicContact CB-CH2 3.52Å; L42-W62 HydrophobicContact CB-CZ2 4.16Å; L42-W62 HydrophobicContact CB-CZ3 4.1Å; L42-W62 HydrophobicContact CD1-CH2 4.21Å; L42-W62 HydrophobicContact CD1-CZ3 3.91Å; C44-W62 HydrophobicContact CB-CH2 4.5Å; C44-W62 HydrophobicContact CB-CZ2 3.72Å; W62-V76 WeakPolarHBondContact O-CA 3.38Å; W62-F77 HydrophobicContact CB-CE1 4.15Å; W62-F77 HydrophobicContact CB-CE2 3.85Å; W62-F77 HydrophobicContact CB-CZ 3.6Å; W62-F77 HydrophobicContact CE3-CZ 4.47Å; W62-F77 HydrophobicContact CG-CZ 4.43Å; W62-F77 WeakPolarHBondContact O-CD1 3.43Å; W62-F77 PolarHBondContact O-N 3.07Å; W62-L78 HydrophobicContact CB-CB 4.35Å; W62-L78 PolarHBondContact N-O 2.94Å; W62-L78 PolarHBondContact O-N 2.76Å; W62-A109 PolarHBondContact NE1-O 2.93Å; W62-I111 HydrophobicContact CB-CD1 4.43Å; W62-I111 VanDerWaalsContact CD1-CG2 3.48Å; W62-I111 HydrophobicContact CD2-CD1 3.54Å; W62-I111 HydrophobicContact CD2-CG1 3.94Å; W62-I111 HydrophobicContact CD2-CG2 4.26Å; W62-I111 HydrophobicContact CE3-CD1 3.69Å; W62-I111 HydrophobicContact CE3-CG1 4.29Å; W62-I111 HydrophobicContact CG-CD1 3.91Å; W62-I111 HydrophobicContact CG-CG1 4.45Å; W62-I111 HydrophobicContact CG-CG2 4.01Å; W62-I111 HydrophobicContact CH2-CD1 4.39Å; W62-I111 HydrophobicContact CH2-CG1 4.17Å; W62-I111 HydrophobicContact CZ2-CD1 4.26Å; W62-I111 HydrophobicContact CZ2-CG1 3.79Å; W62-I111 HydrophobicContact CZ3-CD1 4.13Å; W62-I111 HydrophobicContact CZ3-CG1 4.41Å; W62-E125 WeakPolarHBondContact CA-O 3.15Å; W62-C126 HydrophobicContact CD2-CB 4.07Å; W62-C126 HydrophobicContact CE3-CB 4.25Å; W62-C126 HydrophobicContact CH2-CB 3.78Å; W62-C126 HydrophobicContact CZ2-CB 3.57Å; W62-C126 HydrophobicContact CZ3-CB 4.1Å |
| 63 | M | 90.4 | Very high | 75.2 | Confident | 2 Ų | 2 | 68.5 Ų | 68.5 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 153.7 | -174.7 | 65.4 | -151.6 | -58.9 | 0 | 0 | 112.6 | V65 E74 N75 V76 Y124 E125 R127 | M63-V65 HydrophobicContact CG-CG2 4.31Å; M63-E74 HydrophobicContact CE-CB 3.25Å; M63-E74 VanDerWaalsContact CE-CD 3.44Å; M63-E74 HydrophobicContact CE-CG 3.41Å; M63-E74 VanDerWaalsContact CE-CG 3.41Å; M63-N75 VanDerWaalsContact CA-O 3.29Å; M63-N75 WeakPolarHBondContact CA-O 3.43Å; M63-V76 HydrophobicContact CB-CG2 4.15Å; M63-V76 HydrophobicContact CE-CG2 4.18Å; M63-Y124 WeakPolarHBondContact O-CA 3.34Å; M63-E125 HydrophobicContact CG-CB 3.87Å; M63-E125 PolarHBondContact N-O 2.88Å; M63-E125 PolarHBondContact O-N 3.02Å; M63-E125 HydrophobicContact SD-CB 4.46Å; M63-R127 VanDerWaalsContact CE-NH2 3.34Å; M63-R127 PolarHBondContact SD-NH2 2.83Å |
| 64 | Q | 89.7 | Confident | 74.5 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 15% | 0.154 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 123 | 165.1 | -72.5 | -176.2 | -16.9 | 0 | 0 | 109.2 | N75 F77 L90 A122 T123 Y124 | Q64-N75 PolarHBondContact N-O 2.86Å; Q64-N75 VanDerWaalsContact N-O 3.12Å; Q64-F77 HydrophobicContact CG-CD1 4.29Å; Q64-F77 HydrophobicContact CG-CE1 4.21Å; Q64-L90 HydrophobicContact CG-CD1 4.39Å; Q64-A122 HydrophobicContact CB-CB 4.44Å; Q64-A122 HydrophobicContact CG-CB 4.03Å; Q64-T123 WeakPolarHBondContact CA-O 3.29Å; Q64-Y124 HydrophobicContact CG-CD1 4.07Å; Q64-Y124 HydrophobicContact CG-CE1 3.72Å; Q64-Y124 PolarHBondContact NE2-OH 3.18Å |
| 65 | V | 83.9 | Confident | 74.9 | Confident | 36 Ų | 36 | 68.7 Ų | 68.7 | 22% | 0.218 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 116.5 | 175.1 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | M63 T123 E125 | M63-V65 HydrophobicContact CG-CG2 4.31Å; V65-T123 HydrophobicContact CB-CG2 4.46Å; V65-T123 PolarHBondContact N-O 3.32Å; V65-E125 HydrophobicContact CG2-CB 3.52Å; V65-E125 HydrophobicContact CG2-CG 4.43Å; V65-E125 WeakPolarHBondContact CG2-OE2 3.35Å |
| 66 | N | 68.6 | Low | 75.8 | Confident | 84 Ų | 84 | 67.2 Ų | 67.2 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 139.7 | 173.4 | -161.9 | 9.5 | 0 | 0 | 0 | 109.8 | D68 | N66-D68 PolarHBondContact O-N 2.68Š|
| 67 | S | 56.3 | Low | 76.4 | Confident | 106 Ų | 106 | 60.8 Ų | 60.8 | 74% | 0.741 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -75.4 | -9.5 | -178.5 | -49.9 | 0 | 0 | 0 | 0 | 113.6 | P69 | S67-P69 WeakPolarHBondContact O-CD 3.45Š|
| 68 | D | 56.8 | Low | 76.9 | Confident | 67 Ų | 67 | 58 Ų | 58 | 36% | 0.358 | 31% | 0.309 | S | S | . | . | trans | -84.8 | 113.6 | -179.6 | -178.6 | 9.3 | 0 | 0 | 0 | 111.8 | N66 A70 H71 | N66-D68 PolarHBondContact O-N 2.68Å; D68-A70 PolarHBondContact O-N 3.05Å; D68-A70 WeakPolarHBondContact OD1-CB 3.46Å; D68-A70 PolarHBondContact OD1-N 2.79Å; D68-H71 CarbonylContact O-C 3.55Å; D68-H71 PolarHBondContact O-N 3.27Å; D68-H71 IonicContact OD2-CG 3.81Å; D68-H71 IonicContact OD2-ND1 3.58Å; D68-H71 PolarHBondContact OD2-ND1 2.93Å; D68-H71 VanDerWaalsContact OD2-ND1 3.16Å | ||
| 69 | P | 54.9 | Low | 77.1 | Confident | 99 Ų | 99 | 58.1 Ų | 58.1 | 64% | 0.643 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -65.6 | -20.5 | 179.9 | -17 | 30.3 | 0 | 0 | 0 | 114.4 | S67 H72 | S67-P69 WeakPolarHBondContact O-CD 3.45Å; P69-H72 WeakPolarHBondContact CA-CE1 3.45Å; P69-H72 PolarHBondContact O-CE1 3.07Å; P69-H72 PolarHBondContact O-ND1 2.97Å |
| 70 | A | 53.9 | Low | 77.1 | Confident | 79 Ų | 79 | 57.6 Ų | 57.6 | 65% | 0.653 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -79.4 | -20.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D68 | D68-A70 PolarHBondContact O-N 3.05Å; D68-A70 WeakPolarHBondContact OD1-CB 3.46Å; D68-A70 PolarHBondContact OD1-N 2.79Å |
| 71 | H | 51.5 | Low | 77 | Confident | 114 Ų | 114 | 60.9 Ų | 60.9 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -134.3 | 64.1 | -179.6 | -61 | 92.3 | 0 | 0 | 0 | 110 | D68 R73 | D68-H71 CarbonylContact O-C 3.55Å; D68-H71 PolarHBondContact O-N 3.27Å; D68-H71 IonicContact OD2-CG 3.81Å; D68-H71 IonicContact OD2-ND1 3.58Å; D68-H71 PolarHBondContact OD2-ND1 2.93Å; D68-H71 VanDerWaalsContact OD2-ND1 3.16Å; H71-R73 PolarHBondContact O-N 3.14Å |
| 72 | H | 54 | Low | 76.6 | Confident | 138 Ų | 138 | 66.4 Ų | 66.4 | 64% | 0.639 | 35% | 0.353 | S | S | * | . | trans | -62.9 | 72.5 | 166 | -72.6 | 89.9 | 0 | 0 | 0 | 109.8 | P69 E74 | P69-H72 WeakPolarHBondContact CA-CE1 3.45Å; P69-H72 PolarHBondContact O-CE1 3.07Å; P69-H72 PolarHBondContact O-ND1 2.97Å; H72-E74 PolarHBondContact O-N 2.93Å | ||
| 73 | R | 60.8 | Low | 76.2 | Confident | 183 Ų | 183 | 73.2 Ų | 73.2 | 69% | 0.691 | 38% | 0.382 | S | S | * | . | trans | -83.5 | 98.9 | 167.4 | -80.8 | -172.5 | 165.5 | 172.4 | -3.1 | 106.9 | H71 N75 | H71-R73 PolarHBondContact O-N 3.14Å; R73-N75 VanDerWaalsContact C-N 3.28Å; R73-N75 PolarHBondContact O-N 2.91Å | ||
| 74 | E | 67.2 | Low | 76.2 | Confident | 118 Ų | 118 | 82 Ų | 82 | 55% | 0.551 | 42% | 0.416 | S | S | * | . | trans | -64.6 | 87.5 | 167.6 | -71.9 | -155.2 | 157.4 | 0 | 0 | 109.3 | M63 H72 V76 R127 | M63-E74 HydrophobicContact CE-CB 3.25Å; M63-E74 VanDerWaalsContact CE-CD 3.44Å; M63-E74 HydrophobicContact CE-CG 3.41Å; M63-E74 VanDerWaalsContact CE-CG 3.41Å; H72-E74 PolarHBondContact O-N 2.93Å; E74-V76 VanDerWaalsContact C-N 3.33Å; E74-V76 PolarHBondContact O-N 2.85Å; E74-V76 VanDerWaalsContact O-N 3.07Å; E74-R127 IonicContact OE1-CZ 3.79Å; E74-R127 IonicContact OE1-NH1 3.19Å; E74-R127 PolarHBondContact OE1-NH1 3.48Å; E74-R127 IonicContact OE1-NH2 3.61Å; E74-R127 PolarHBondContact OE1-NH2 2.84Å; E74-R127 IonicContact OE2-CZ 2.72Å; E74-R127 IonicContact OE2-NH1 2.85Å; E74-R127 PolarHBondContact OE2-NH1 3.06Å; E74-R127 IonicContact OE2-NH2 3.77Å | ||
| 75 | N | 81.8 | Confident | 76.4 | Confident | 60 Ų | 60 | 84.1 Ų | 84.1 | 32% | 0.321 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 77.6 | -178.5 | -67.7 | -29.7 | 0 | 0 | 0 | 110 | M63 Q64 R73 F77 L90 | M63-N75 VanDerWaalsContact CA-O 3.29Å; M63-N75 WeakPolarHBondContact CA-O 3.43Å; Q64-N75 PolarHBondContact N-O 2.86Å; Q64-N75 VanDerWaalsContact N-O 3.12Å; R73-N75 VanDerWaalsContact C-N 3.28Å; R73-N75 PolarHBondContact O-N 2.91Å; N75-F77 PolarHBondContact O-N 2.82Å; N75-L90 HydrophobicContact CB-CD1 3.86Å; N75-L90 HydrophobicContact CB-CG 4.46Å |
| 76 | V | 89.5 | Confident | 76.8 | Confident | 38 Ų | 38 | 85.7 Ų | 85.7 | 23% | 0.23 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 125.5 | 170.5 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | E61 W62 M63 E74 G88 | E61-V76 HydrophobicContact CB-CG1 4.27Å; E61-V76 HydrophobicContact CG-CG1 4.39Å; W62-V76 WeakPolarHBondContact O-CA 3.38Å; M63-V76 HydrophobicContact CB-CG2 4.15Å; M63-V76 HydrophobicContact CE-CG2 4.18Å; E74-V76 VanDerWaalsContact C-N 3.33Å; E74-V76 PolarHBondContact O-N 2.85Å; E74-V76 VanDerWaalsContact O-N 3.07Å; V76-G88 VanDerWaalsContact O-CA 3.3Å; V76-G88 WeakPolarHBondContact O-CA 3.43Å |
| 77 | F | 91.7 | Very high | 77.8 | Confident | 2 Ų | 2 | 85.8 Ų | 85.8 | 1% | 0.009 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | -18.8 | 179.5 | 61.8 | -98.4 | 0 | 0 | 0 | 113.2 | W62 Q64 N75 G88 L90 L93 V97 I111 Y124 | W62-F77 HydrophobicContact CB-CE1 4.15Å; W62-F77 HydrophobicContact CB-CE2 3.85Å; W62-F77 HydrophobicContact CB-CZ 3.6Å; W62-F77 HydrophobicContact CE3-CZ 4.47Å; W62-F77 HydrophobicContact CG-CZ 4.43Å; W62-F77 WeakPolarHBondContact O-CD1 3.43Å; W62-F77 PolarHBondContact O-N 3.07Å; Q64-F77 HydrophobicContact CG-CD1 4.29Å; Q64-F77 HydrophobicContact CG-CE1 4.21Å; N75-F77 PolarHBondContact O-N 2.82Å; F77-G88 PolarHBondContact O-N 2.03Å; F77-L90 HydrophobicContact CB-CB 3.94Å; F77-L90 HydrophobicContact CB-CD1 4Å; F77-L90 HydrophobicContact CB-CG 4.39Å; F77-L90 HydrophobicContact CD1-CD1 4.35Å; F77-L93 HydrophobicContact CD1-CD1 4.28Å; F77-L93 HydrophobicContact CG-CD1 4.25Å; F77-V97 HydrophobicContact CD2-CG1 3.94Å; F77-V97 HydrophobicContact CD2-CG2 4.4Å; F77-V97 HydrophobicContact CE2-CB 4.46Å; F77-V97 HydrophobicContact CE2-CG1 4.18Å; F77-V97 HydrophobicContact CE2-CG2 3.78Å; F77-I111 HydrophobicContact CE2-CD1 4.02Å; F77-I111 HydrophobicContact CZ-CD1 3.92Å; F77-Y124 AromaticContact CE1-CD1 3.64Å; F77-Y124 HydrophobicContact CE1-CD1 3.64Å; F77-Y124 AromaticContact CE1-CE1 3.85Å; F77-Y124 HydrophobicContact CE1-CE1 3.85Å; F77-Y124 AromaticContact CZ-CD1 3.74Å; F77-Y124 HydrophobicContact CZ-CD1 3.74Å; F77-Y124 AromaticContact CZ-CE1 3.98Å; F77-Y124 HydrophobicContact CZ-CE1 3.98Å |
| 78 | L | 94.3 | Very high | 79.1 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 131.2 | 176.8 | -173.9 | 72 | 0 | 0 | 0 | 108.9 | W62 I85 V97 F99 I111 | W62-L78 HydrophobicContact CB-CB 4.35Å; W62-L78 PolarHBondContact N-O 2.94Å; W62-L78 PolarHBondContact O-N 2.76Å; L78-I85 HydrophobicContact CD1-CG2 3.64Å; L78-V97 HydrophobicContact CD2-CG2 4.41Å; L78-F99 HydrophobicContact CD1-CD2 4.42Å; L78-F99 HydrophobicContact CD1-CE2 4.11Å; L78-F99 HydrophobicContact CD2-CD1 4.26Å; L78-F99 HydrophobicContact CD2-CD2 3.84Å; L78-F99 HydrophobicContact CD2-CE1 4.15Å; L78-F99 HydrophobicContact CD2-CE2 3.71Å; L78-F99 HydrophobicContact CD2-CG 4.11Å; L78-F99 HydrophobicContact CD2-CZ 3.88Å; L78-F99 HydrophobicContact CG-CD2 4.18Å; L78-F99 HydrophobicContact CG-CE2 3.64Å; L78-F99 HydrophobicContact CG-CZ 3.9Å; L78-I111 HydrophobicContact CD2-CG2 3.64Å |
| 79 | S | 94.8 | Very high | 80 | Confident | 13 Ų | 13 | 85.8 Ų | 85.8 | 9% | 0.091 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 159.8 | 173.1 | 64 | 0 | 0 | 0 | 0 | 112.4 | I60 I85 N86 | I60-S79 CarbonylContact O-C 3.6Å; I60-S79 WeakPolarHBondContact O-CA 3.31Å; I60-S79 VanDerWaalsContact O-CB 3.31Å; I60-S79 WeakPolarHBondContact O-CB 3.26Å; S79-I85 CarbonylContact O-C 3.57Å; S79-I85 WeakPolarHBondContact O-CA 3.31Å; S79-N86 PolarHBondContact N-O 2.83Å; S79-N86 PolarHBondContact O-N 2.85Å |
| 80 | Y | 94.9 | Very high | 81.2 | Confident | 13 Ų | 13 | 83 Ų | 83 | 5% | 0.051 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 114.2 | 174.4 | 177.4 | -86.5 | 0 | 0 | 0 | 108.7 | L58 I60 R84 I85 D103 P104 | L58-Y80 HydrophobicContact CD2-CE1 4.39Å; I60-Y80 HydrophobicContact CD1-CD1 4.27Å; I60-Y80 PolarHBondContact N-O 2.89Å; I60-Y80 PolarHBondContact O-N 2.85Å; Y80-R84 WeakPolarHBondContact CA-O 3.44Å; Y80-I85 HydrophobicContact CD2-CG1 3.99Å; Y80-D103 PolarHBondContact OH-OD1 3.05Å; Y80-P104 HydrophobicContact CD1-CB 4.42Å; Y80-P104 HydrophobicContact CD2-CB 4.25Å; Y80-P104 HydrophobicContact CD2-CG 3.83Å; Y80-P104 HydrophobicContact CE2-CG 4.21Å; Y80-P104 HydrophobicContact CG-CB 4.15Å; Y80-P104 HydrophobicContact CG-CG 4.15Å |
| 81 | Q | 92.5 | Very high | 82.4 | Confident | 68 Ų | 68 | 82.9 Ų | 82.9 | 32% | 0.318 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 142.1 | -179 | -69.3 | 175.4 | 5.9 | 0 | 0 | 108.6 | D59 K83 R84 | D59-Q81 HydrophobicContact CB-CG 4.14Å; D59-Q81 VanDerWaalsContact OD1-CD 3.31Å; D59-Q81 WeakPolarHBondContact OD1-CG 3.04Å; D59-Q81 PolarHBondContact OD1-NE2 2.97Å; Q81-K83 PolarHBondContact O-N 2.82Å; Q81-K83 VanDerWaalsContact O-N 3.11Å; Q81-R84 PolarHBondContact N-O 3.04Å; Q81-R84 WeakPolarHBondContact O-CA 3.03Å; Q81-R84 WeakPolarHBondContact O-CB 3.27Å; Q81-R84 PolarHBondContact O-N 2.74Å; Q81-R84 VanDerWaalsContact O-O 3.09Å |
| 82 | D | 87.6 | Confident | 83.9 | Confident | 140 Ų | 140 | 84.9 Ų | 84.9 | 75% | 0.749 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 39.2 | 178.1 | -60.2 | -38.8 | 0 | 0 | 0 | 114 | R84 | D82-R84 PolarHBondContact O-N 2.91Š|
| 83 | K | 85.9 | Confident | 85.3 | Confident | 144 Ų | 144 | 78.6 Ų | 78.6 | 63% | 0.626 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 21.7 | -176.3 | -53.1 | -178 | 179 | -176.7 | 0 | 114.8 | Q81 | Q81-K83 PolarHBondContact O-N 2.82Å; Q81-K83 VanDerWaalsContact O-N 3.11Å |
| 84 | R | 90.4 | Very high | 86.4 | Confident | 187 Ų | 187 | 72.9 Ų | 72.9 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 140.4 | 178 | -66.7 | -177.6 | 170.8 | -166.9 | -2.5 | 110 | Y80 Q81 D82 | Y80-R84 WeakPolarHBondContact CA-O 3.44Å; Q81-R84 PolarHBondContact N-O 3.04Å; Q81-R84 WeakPolarHBondContact O-CA 3.03Å; Q81-R84 WeakPolarHBondContact O-CB 3.27Å; Q81-R84 PolarHBondContact O-N 2.74Å; Q81-R84 VanDerWaalsContact O-O 3.09Å; D82-R84 PolarHBondContact O-N 2.91Å |
| 85 | I | 92.8 | Very high | 87.4 | Confident | 78 Ų | 78 | 74.8 Ų | 74.8 | 40% | 0.4 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 124.5 | 172 | -62.4 | 168.6 | 0 | 0 | 0 | 107.5 | L78 S79 Y80 F99 | L78-I85 HydrophobicContact CD1-CG2 3.64Å; S79-I85 CarbonylContact O-C 3.57Å; S79-I85 WeakPolarHBondContact O-CA 3.31Å; Y80-I85 HydrophobicContact CD2-CG1 3.99Å; I85-F99 HydrophobicContact CD1-CD2 3.92Å; I85-F99 HydrophobicContact CG1-CD2 3.91Å; I85-F99 HydrophobicContact CG1-CE2 4.1Å; I85-F99 HydrophobicContact CG2-CD2 4.18Å; I85-F99 HydrophobicContact CG2-CE2 4.07Å |
| 86 | N | 91.9 | Very high | 87.9 | Confident | 68 Ų | 68 | 73.5 Ų | 73.5 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 141.4 | 175.6 | -56.7 | -57.8 | 0 | 0 | 0 | 109.5 | S79 | S79-N86 PolarHBondContact N-O 2.83Å; S79-N86 PolarHBondContact O-N 2.85Å |
| 87 | H | 90.5 | Very high | 88.2 | Confident | 86 Ų | 86 | 71.7 Ų | 71.7 | 40% | 0.398 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.9 | 176.7 | -69.2 | -71.3 | 0 | 0 | 0 | 109.2 | Q94 R98 | H87-Q94 HydrophobicContact CB-CG 4.1Å; H87-R98 PolarHBondContact CE1-NH1 3.16Å |
| 88 | G | 84.3 | Confident | 88.3 | Confident | 16 Ų | 16 | 77 Ų | 77 | 17% | 0.165 | 37% | 0.369 | C | S | . | . | trans | -90.7 | -173.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | V76 F77 L90 Q94 | V76-G88 VanDerWaalsContact O-CA 3.3Å; V76-G88 WeakPolarHBondContact O-CA 3.43Å; F77-G88 PolarHBondContact O-N 2.03Å; G88-L90 VanDerWaalsContact C-N 3.26Å; G88-L90 PolarHBondContact O-N 3.32Å; G88-Q94 PolarHBondContact O-NE2 3.37Å | ||
| 89 | N | 74.3 | Confident | 88.4 | Confident | 158 Ų | 158 | 77.8 Ų | 77.8 | 85% | 0.845 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -80.4 | 31 | -161.5 | -70.7 | -21 | 0 | 0 | 0 | 116.7 | P91 | N89-P91 VanDerWaalsContact O-CD 3.28Å; N89-P91 WeakPolarHBondContact O-CD 3.19Å |
| 90 | L | 81.3 | Confident | 88.4 | Confident | 39 Ų | 39 | 78.7 Ų | 78.7 | 20% | 0.204 | 38% | 0.381 | C | S | . | . | trans | -114.4 | 80.4 | 177.4 | -74.1 | 175.8 | 0 | 0 | 0 | 111.8 | Q64 N75 F77 G88 H92 L93 Q94 | Q64-L90 HydrophobicContact CG-CD1 4.39Å; N75-L90 HydrophobicContact CB-CD1 3.86Å; N75-L90 HydrophobicContact CB-CG 4.46Å; F77-L90 HydrophobicContact CB-CB 3.94Å; F77-L90 HydrophobicContact CB-CD1 4Å; F77-L90 HydrophobicContact CB-CG 4.39Å; F77-L90 HydrophobicContact CD1-CD1 4.35Å; G88-L90 VanDerWaalsContact C-N 3.26Å; G88-L90 PolarHBondContact O-N 3.32Å; L90-H92 VanDerWaalsContact C-N 3.27Å; L90-H92 PolarHBondContact O-N 3.4Å; L90-H92 VanDerWaalsContact O-N 3.16Å; L90-L93 HydrophobicContact CB-CB 4.49Å; L90-L93 HydrophobicContact CB-CD1 4.2Å; L90-L93 HydrophobicContact CD1-CD1 3.96Å; L90-L93 PolarHBondContact O-N 2.98Å; L90-Q94 WeakPolarHBondContact O-CG 3.39Å; L90-Q94 PolarHBondContact O-N 3.46Å; L90-Q94 VanDerWaalsContact O-N 3.13Å | ||
| 91 | P | 78.6 | Confident | 88.3 | Confident | 78 Ų | 78 | 79.3 Ų | 79.3 | 51% | 0.506 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -58.5 | -33.7 | -171 | 21.2 | -32.5 | 0 | 0 | 0 | 113.9 | N89 L93 Q94 | N89-P91 VanDerWaalsContact O-CD 3.28Å; N89-P91 WeakPolarHBondContact O-CD 3.19Å; P91-L93 PolarHBondContact O-N 3.05Å; P91-Q94 PolarHBondContact O-N 2.97Å |
| 92 | H | 81.9 | Confident | 88.2 | Confident | 155 Ų | 155 | 82.2 Ų | 82.2 | 72% | 0.718 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64 | -23.7 | 177.9 | -64.4 | -73.2 | 0 | 0 | 0 | 114.1 | L90 R96 | L90-H92 VanDerWaalsContact C-N 3.27Å; L90-H92 PolarHBondContact O-N 3.4Å; L90-H92 VanDerWaalsContact O-N 3.16Å; H92-R96 PolarHBondContact O-NE 3.38Å; H92-R96 VanDerWaalsContact O-NE 3.07Å; H92-R96 PolarHBondContact O-NH2 3.31Å; H92-R96 VanDerWaalsContact O-NH2 3.08Å |
| 93 | L | 84.3 | Confident | 88.4 | Confident | 6 Ų | 6 | 78 Ų | 78 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -97.9 | -32.3 | 177.2 | -67.6 | 169.6 | 0 | 0 | 0 | 112.1 | F77 L90 P91 Q95 R96 V97 L113 | F77-L93 HydrophobicContact CD1-CD1 4.28Å; F77-L93 HydrophobicContact CG-CD1 4.25Å; L90-L93 HydrophobicContact CB-CB 4.49Å; L90-L93 HydrophobicContact CB-CD1 4.2Å; L90-L93 HydrophobicContact CD1-CD1 3.96Å; L90-L93 PolarHBondContact O-N 2.98Å; P91-L93 PolarHBondContact O-N 3.05Å; L93-Q95 PolarHBondContact O-N 2.95Å; L93-R96 PolarHBondContact O-N 3.07Å; L93-V97 WeakPolarHBondContact O-CB 3.43Å; L93-V97 VanDerWaalsContact O-CG1 3.28Å; L93-V97 WeakPolarHBondContact O-CG1 3.48Å; L93-V97 PolarHBondContact O-N 3.26Å; L93-L113 HydrophobicContact CD2-CD1 3.82Å |
| 94 | Q | 84.9 | Confident | 88.7 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -51 | -35.9 | -176.6 | -72.6 | 180 | 5.3 | 0 | 0 | 113.7 | H87 G88 L90 P91 R98 | H87-Q94 HydrophobicContact CB-CG 4.1Å; G88-Q94 PolarHBondContact O-NE2 3.37Å; L90-Q94 WeakPolarHBondContact O-CG 3.39Å; L90-Q94 PolarHBondContact O-N 3.46Å; L90-Q94 VanDerWaalsContact O-N 3.13Å; P91-Q94 PolarHBondContact O-N 2.97Å; Q94-R98 PolarHBondContact O-NH1 2.91Å |
| 95 | Q | 86.9 | Confident | 88.7 | Confident | 158 Ų | 158 | 63.6 Ų | 63.6 | 74% | 0.738 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -21.2 | -178.8 | -66.5 | -177.3 | -13.8 | 0 | 0 | 113.5 | L93 | L93-Q95 PolarHBondContact O-N 2.95Š|
| 96 | R | 93.4 | Very high | 88.6 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 13% | 0.128 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -5.8 | -169.5 | -62.8 | -176.7 | -64.5 | 131 | 0 | 113.8 | H92 L93 L113 M114 N115 D120 | H92-R96 PolarHBondContact O-NE 3.38Å; H92-R96 VanDerWaalsContact O-NE 3.07Å; H92-R96 PolarHBondContact O-NH2 3.31Å; H92-R96 VanDerWaalsContact O-NH2 3.08Å; L93-R96 PolarHBondContact O-N 3.07Å; R96-L113 HydrophobicContact CB-CD1 4.47Å; R96-M114 WeakPolarHBondContact CB-O 3.27Å; R96-M114 WeakPolarHBondContact CD-O 3.29Å; R96-M114 PolarHBondContact NH1-O 2.85Å; R96-M114 PolarHBondContact O-N 3.19Å; R96-N115 PolarHBondContact NH1-O 2.94Å; R96-D120 IonicContact CZ-OD1 3.45Å; R96-D120 IonicContact CZ-OD2 3.99Å; R96-D120 VanDerWaalsContact CZ-OD2 3.31Å; R96-D120 IonicContact NH1-OD2 3.16Å; R96-D120 PolarHBondContact NH1-OD2 2.96Å; R96-D120 VanDerWaalsContact NH2-CG 3.32Å; R96-D120 IonicContact NH2-OD1 2.94Å; R96-D120 PolarHBondContact NH2-OD1 3.13Å; R96-D120 IonicContact NH2-OD2 3.81Å; R96-D120 PolarHBondContact NH2-OD2 3.07Å |
| 97 | V | 94.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 135.7 | -177.7 | 78.9 | 0 | 0 | 0 | 0 | 112.6 | F77 L78 L93 I111 N112 L113 | F77-V97 HydrophobicContact CD2-CG1 3.94Å; F77-V97 HydrophobicContact CD2-CG2 4.4Å; F77-V97 HydrophobicContact CE2-CB 4.46Å; F77-V97 HydrophobicContact CE2-CG1 4.18Å; F77-V97 HydrophobicContact CE2-CG2 3.78Å; L78-V97 HydrophobicContact CD2-CG2 4.41Å; L93-V97 WeakPolarHBondContact O-CB 3.43Å; L93-V97 VanDerWaalsContact O-CG1 3.28Å; L93-V97 WeakPolarHBondContact O-CG1 3.48Å; L93-V97 PolarHBondContact O-N 3.26Å; V97-I111 HydrophobicContact CG2-CB 4.36Å; V97-I111 HydrophobicContact CG2-CD1 3.9Å; V97-N112 WeakPolarHBondContact CA-O 3.23Å; V97-L113 HydrophobicContact CB-CD1 4.09Å; V97-L113 HydrophobicContact CG2-CD1 4.26Å |
| 98 | R | 94.8 | Very high | 88.7 | Confident | 112 Ų | 112 | 66 Ų | 66 | 42% | 0.423 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 154 | 177.6 | -59.7 | -69.9 | 174.8 | -110.9 | 4.5 | 109.5 | H87 Q94 I111 N112 | H87-R98 PolarHBondContact CE1-NH1 3.16Å; Q94-R98 PolarHBondContact O-NH1 2.91Å; R98-I111 CarbonylContact O-C 3.46Å; R98-I111 VanDerWaalsContact O-CA 3.31Å; R98-I111 WeakPolarHBondContact O-CA 3.37Å; R98-I111 WeakPolarHBondContact O-CB 3.4Å; R98-N112 PolarHBondContact N-O 3.01Å; R98-N112 VanDerWaalsContact N-O 3.08Å; R98-N112 PolarHBondContact O-N 3.08Å |
| 99 | F | 96.1 | Very high | 89.2 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 140.6 | 164.9 | -74.6 | -73 | 0 | 0 | 0 | 110.1 | I60 L78 I85 P104 I111 | I60-F99 HydrophobicContact CG2-CE1 3.98Å; I60-F99 HydrophobicContact CG2-CZ 4.24Å; L78-F99 HydrophobicContact CD1-CD2 4.42Å; L78-F99 HydrophobicContact CD1-CE2 4.11Å; L78-F99 HydrophobicContact CD2-CD1 4.26Å; L78-F99 HydrophobicContact CD2-CD2 3.84Å; L78-F99 HydrophobicContact CD2-CE1 4.15Å; L78-F99 HydrophobicContact CD2-CE2 3.71Å; L78-F99 HydrophobicContact CD2-CG 4.11Å; L78-F99 HydrophobicContact CD2-CZ 3.88Å; L78-F99 HydrophobicContact CG-CD2 4.18Å; L78-F99 HydrophobicContact CG-CE2 3.64Å; L78-F99 HydrophobicContact CG-CZ 3.9Å; I85-F99 HydrophobicContact CD1-CD2 3.92Å; I85-F99 HydrophobicContact CG1-CD2 3.91Å; I85-F99 HydrophobicContact CG1-CE2 4.1Å; I85-F99 HydrophobicContact CG2-CD2 4.18Å; I85-F99 HydrophobicContact CG2-CE2 4.07Å; F99-P104 HydrophobicContact CB-CG 3.79Å; F99-P104 HydrophobicContact CD1-CB 4.13Å; F99-P104 HydrophobicContact CD1-CG 3.61Å; F99-P104 HydrophobicContact CD2-CG 3.7Å; F99-P104 HydrophobicContact CE1-CB 4.29Å; F99-P104 HydrophobicContact CE1-CG 4.06Å; F99-P104 HydrophobicContact CE2-CG 4.14Å; F99-P104 HydrophobicContact CG-CB 4.4Å; F99-P104 HydrophobicContact CG-CG 3.41Å; F99-P104 VanDerWaalsContact CG-CG 3.41Å; F99-P104 HydrophobicContact CZ-CG 4.3Å; F99-I111 HydrophobicContact CD1-CG2 3.82Å; F99-I111 HydrophobicContact CE1-CG2 4.09Å |
| 100 | A | 95.1 | Very high | 90.2 | Very high | 32 Ų | 32 | 57.9 Ų | 57.9 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -73.9 | -38.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R41 S110 | R41-A100 HydrophobicContact CG-CB 4.41Å; A100-S110 WeakPolarHBondContact CB-O 3.47Å; A100-S110 PolarHBondContact N-O 3.27Å |
| 101 | A | 92.7 | Very high | 90.9 | Very high | 25 Ų | 25 | 56 Ų | 56 | 21% | 0.207 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -83.2 | 144.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | D103 D108 | A101-D103 PolarHBondContact O-N 2.74Å; A101-D108 HydrophobicContact CB-CB 4.19Å |
| 102 | S | 90.3 | Very high | 91.7 | Very high | 130 Ų | 130 | 55.2 Ų | 55.2 | 91% | 0.909 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -64.2 | -30.2 | 173 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 103 | D | 91 | Very high | 92.4 | Very high | 51 Ų | 51 | 48 Ų | 48 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | trans | -132.6 | 100.6 | 175 | -176.6 | 6.7 | 0 | 0 | 0 | 110.2 | Y80 A101 S105 Q106 | Y80-D103 PolarHBondContact OH-OD1 3.05Å; A101-D103 PolarHBondContact O-N 2.74Å; D103-S105 PolarHBondContact O-N 2.88Å; D103-S105 VanDerWaalsContact O-N 3.08Å; D103-S105 WeakPolarHBondContact OD1-CB 3.44Å; D103-S105 PolarHBondContact OD1-N 3.08Å; D103-S105 VanDerWaalsContact OD1-N 3.11Å; D103-S105 PolarHBondContact OD1-OG 3.09Å; D103-S105 PolarHBondContact OD2-OG 3.24Å; D103-Q106 HydrophobicContact CB-CG 4.33Å; D103-Q106 PolarHBondContact O-N 2.86Å; D103-Q106 VanDerWaalsContact O-N 3.07Å | ||
| 104 | P | 92.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.7 | 178.4 | -25.6 | 35 | 0 | 0 | 0 | 114.8 | Y46 I60 Y80 F99 Q106 D108 | Y46-P104 WeakPolarHBondContact CE1-O 3.34Å; Y46-P104 PolarHBondContact OH-O 3.29Å; I60-P104 HydrophobicContact CD1-CB 3.75Å; Y80-P104 HydrophobicContact CD1-CB 4.42Å; Y80-P104 HydrophobicContact CD2-CB 4.25Å; Y80-P104 HydrophobicContact CD2-CG 3.83Å; Y80-P104 HydrophobicContact CE2-CG 4.21Å; Y80-P104 HydrophobicContact CG-CB 4.15Å; Y80-P104 HydrophobicContact CG-CG 4.15Å; F99-P104 HydrophobicContact CB-CG 3.79Å; F99-P104 HydrophobicContact CD1-CB 4.13Å; F99-P104 HydrophobicContact CD1-CG 3.61Å; F99-P104 HydrophobicContact CD2-CG 3.7Å; F99-P104 HydrophobicContact CE1-CB 4.29Å; F99-P104 HydrophobicContact CE1-CG 4.06Å; F99-P104 HydrophobicContact CE2-CG 4.14Å; F99-P104 HydrophobicContact CG-CB 4.4Å; F99-P104 HydrophobicContact CG-CG 3.41Å; F99-P104 VanDerWaalsContact CG-CG 3.41Å; F99-P104 HydrophobicContact CZ-CG 4.3Å; P104-Q106 PolarHBondContact O-N 3.43Å; P104-D108 WeakPolarHBondContact CA-O 3.28Å |
| 105 | S | 90 | Very high | 93.4 | Very high | 28 Ų | 28 | 52.4 Ų | 52.4 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -13.6 | 175.6 | 75 | 0 | 0 | 0 | 0 | 113.5 | Y46 D103 Y107 | Y46-S105 WeakPolarHBondContact OH-CA 3.45Å; Y46-S105 PolarHBondContact OH-O 3.09Å; D103-S105 PolarHBondContact O-N 2.88Å; D103-S105 VanDerWaalsContact O-N 3.08Å; D103-S105 WeakPolarHBondContact OD1-CB 3.44Å; D103-S105 PolarHBondContact OD1-N 3.08Å; D103-S105 VanDerWaalsContact OD1-N 3.11Å; D103-S105 PolarHBondContact OD1-OG 3.09Å; D103-S105 PolarHBondContact OD2-OG 3.24Å; S105-Y107 PolarHBondContact O-N 2.72Å; S105-Y107 VanDerWaalsContact O-N 3.09Å |
| 106 | Q | 90.3 | Very high | 93.7 | Very high | 139 Ų | 139 | 44.9 Ų | 44.9 | 65% | 0.65 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -85 | 47.1 | 173.1 | -60.3 | -165.1 | 42.6 | 0 | 0 | 112.2 | D103 P104 D108 | D103-Q106 HydrophobicContact CB-CG 4.33Å; D103-Q106 PolarHBondContact O-N 2.86Å; D103-Q106 VanDerWaalsContact O-N 3.07Å; P104-Q106 PolarHBondContact O-N 3.43Å; Q106-D108 PolarHBondContact O-N 2.97Å |
| 107 | Y | 91.3 | Very high | 93.7 | Very high | 114 Ų | 114 | 46 Ų | 46 | 45% | 0.447 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 65.3 | 11.2 | 169.1 | -48 | -73.5 | 0 | 0 | 0 | 116.1 | Y46 L48 S105 | Y46-Y107 VanDerWaalsContact CE1-C 3.46Å; Y46-Y107 HydrophobicContact CE2-CD1 4.06Å; Y46-Y107 VanDerWaalsContact CZ-CA 3.49Å; Y46-Y107 PolarHBondContact N-O 2.89Å; Y46-Y107 WeakPolarHBondContact O-CB 3.49Å; Y46-Y107 PolarHBondContact OH-N 2.85Å; L48-Y107 HydrophobicContact CB-CE1 4.44Å; L48-Y107 HydrophobicContact CD1-CE1 4.05Å; L48-Y107 HydrophobicContact CG-CD1 4.43Å; L48-Y107 HydrophobicContact CG-CE1 4.17Å; S105-Y107 PolarHBondContact O-N 2.72Å; S105-Y107 VanDerWaalsContact O-N 3.09Å |
| 108 | D | 93.1 | Very high | 93.6 | Very high | 31 Ų | 31 | 49 Ų | 49 | 17% | 0.166 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -128.5 | 99.7 | 177.3 | -171.2 | 5.7 | 0 | 0 | 0 | 111.6 | R41 A101 P104 Q106 S110 | R41-D108 IonicContact CZ-OD2 3.98Å; R41-D108 IonicContact NH2-OD2 2.73Å; R41-D108 PolarHBondContact NH2-OD2 2.79Å; A101-D108 HydrophobicContact CB-CB 4.19Å; P104-D108 WeakPolarHBondContact CA-O 3.28Å; Q106-D108 PolarHBondContact O-N 2.97Å; D108-S110 VanDerWaalsContact C-N 3.29Å; D108-S110 WeakPolarHBondContact OD1-CB 3.45Å; D108-S110 PolarHBondContact OD1-N 2.85Å; D108-S110 PolarHBondContact OD1-OG 3.13Å |
| 109 | A | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -90.5 | 14.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | C44 Y46 I60 W62 V128 | C44-A109 HydrophobicContact CB-CB 4.16Å; C44-A109 WeakPolarHBondContact O-CA 3.26Å; C44-A109 WeakPolarHBondContact O-CB 3.41Å; C44-A109 PolarHBondContact O-N 3.27Å; Y46-A109 HydrophobicContact CD1-CB 3.89Å; Y46-A109 HydrophobicContact CE1-CB 4.03Å; I60-A109 HydrophobicContact CD1-CB 4.02Å; I60-A109 HydrophobicContact CG1-CB 4.32Å; I60-A109 HydrophobicContact CG2-CB 3.62Å; W62-A109 PolarHBondContact NE1-O 2.93Å; A109-V128 HydrophobicContact CB-CG2 4.16Å | ||
| 110 | S | 95.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | trans | -63.4 | 151.1 | -180 | -56.1 | 0 | 0 | 0 | 0 | 112.4 | L42 G43 C44 A100 D108 | L42-S110 VanDerWaalsContact O-CA 3.27Å; L42-S110 WeakPolarHBondContact O-CA 3.5Å; L42-S110 WeakPolarHBondContact O-CB 3.3Å; G43-S110 WeakPolarHBondContact CA-OG 3.28Å; C44-S110 PolarHBondContact N-OG 3.13Å; A100-S110 WeakPolarHBondContact CB-O 3.47Å; A100-S110 PolarHBondContact N-O 3.27Å; D108-S110 VanDerWaalsContact C-N 3.29Å; D108-S110 WeakPolarHBondContact OD1-CB 3.45Å; D108-S110 PolarHBondContact OD1-N 2.85Å; D108-S110 PolarHBondContact OD1-OG 3.13Å | ||
| 111 | I | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 150.8 | 176.7 | 60.2 | 168.2 | 0 | 0 | 0 | 111.5 | R41 L42 W62 F77 L78 V97 R98 F99 | R41-I111 CarbonylContact C-O 3.58Å; R41-I111 VanDerWaalsContact CA-O 3.31Å; R41-I111 WeakPolarHBondContact CA-O 3.38Å; L42-I111 HydrophobicContact CB-CG1 3.93Å; L42-I111 HydrophobicContact CD1-CD1 4.16Å; L42-I111 HydrophobicContact CD1-CG1 4.37Å; L42-I111 HydrophobicContact CG-CG1 4.37Å; L42-I111 PolarHBondContact N-O 2.88Å; L42-I111 PolarHBondContact O-N 3.07Å; L42-I111 VanDerWaalsContact O-N 3.07Å; W62-I111 HydrophobicContact CB-CD1 4.43Å; W62-I111 VanDerWaalsContact CD1-CG2 3.48Å; W62-I111 HydrophobicContact CD2-CD1 3.54Å; W62-I111 HydrophobicContact CD2-CG1 3.94Å; W62-I111 HydrophobicContact CD2-CG2 4.26Å; W62-I111 HydrophobicContact CE3-CD1 3.69Å; W62-I111 HydrophobicContact CE3-CG1 4.29Å; W62-I111 HydrophobicContact CG-CD1 3.91Å; W62-I111 HydrophobicContact CG-CG1 4.45Å; W62-I111 HydrophobicContact CG-CG2 4.01Å; W62-I111 HydrophobicContact CH2-CD1 4.39Å; W62-I111 HydrophobicContact CH2-CG1 4.17Å; W62-I111 HydrophobicContact CZ2-CD1 4.26Å; W62-I111 HydrophobicContact CZ2-CG1 3.79Å; W62-I111 HydrophobicContact CZ3-CD1 4.13Å; W62-I111 HydrophobicContact CZ3-CG1 4.41Å; F77-I111 HydrophobicContact CE2-CD1 4.02Å; F77-I111 HydrophobicContact CZ-CD1 3.92Å; L78-I111 HydrophobicContact CD2-CG2 3.64Å; V97-I111 HydrophobicContact CG2-CB 4.36Å; V97-I111 HydrophobicContact CG2-CD1 3.9Å; R98-I111 CarbonylContact O-C 3.46Å; R98-I111 VanDerWaalsContact O-CA 3.31Å; R98-I111 WeakPolarHBondContact O-CA 3.37Å; R98-I111 WeakPolarHBondContact O-CB 3.4Å; F99-I111 HydrophobicContact CD1-CG2 3.82Å; F99-I111 HydrophobicContact CE1-CG2 4.09Å |
| 112 | N | 96.4 | Very high | 92.9 | Very high | 61 Ų | 61 | 49.3 Ų | 49.3 | 33% | 0.326 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.7 | 167.6 | -67.8 | -35.3 | 0 | 0 | 0 | 108.7 | V40 R41 V97 R98 | V40-N112 WeakPolarHBondContact O-CA 3.43Å; R41-N112 WeakPolarHBondContact CB-OD1 3.48Å; R41-N112 WeakPolarHBondContact CG-OD1 3.27Å; V97-N112 WeakPolarHBondContact CA-O 3.23Å; R98-N112 PolarHBondContact N-O 3.01Å; R98-N112 VanDerWaalsContact N-O 3.08Å; R98-N112 PolarHBondContact O-N 3.08Å |
| 113 | L | 95.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.6 | 174.2 | -178.2 | 59.9 | 0 | 0 | 0 | 108.8 | N39 V40 L93 R96 V97 L116 Y124 | N39-L113 WeakPolarHBondContact CA-O 3.42Å; V40-L113 HydrophobicContact CG1-CB 4.1Å; V40-L113 PolarHBondContact N-O 3.15Å; V40-L113 PolarHBondContact O-N 3.4Å; L93-L113 HydrophobicContact CD2-CD1 3.82Å; R96-L113 HydrophobicContact CB-CD1 4.47Å; V97-L113 HydrophobicContact CB-CD1 4.09Å; V97-L113 HydrophobicContact CG2-CD1 4.26Å; L113-L116 HydrophobicContact CB-CD2 4.47Å; L113-L116 HydrophobicContact CD2-CD2 3.5Å; L113-L116 HydrophobicContact CG-CD2 3.7Å; L113-Y124 HydrophobicContact CD2-CE1 4.44Å |
| 114 | M | 95.2 | Very high | 93 | Very high | 81 Ų | 81 | 41.7 Ų | 41.7 | 40% | 0.399 | 23% | 0.226 | S | C | . | . | trans | -105.4 | 155.9 | -171.5 | -61.1 | 178.2 | -68.6 | 0 | 0 | 112.8 | N39 R96 L116 | N39-M114 WeakPolarHBondContact OD1-CA 3.32Å; N39-M114 WeakPolarHBondContact OD1-CB 3.07Å; R96-M114 WeakPolarHBondContact CB-O 3.27Å; R96-M114 WeakPolarHBondContact CD-O 3.29Å; R96-M114 PolarHBondContact NH1-O 2.85Å; R96-M114 PolarHBondContact O-N 3.19Å; M114-L116 PolarHBondContact O-N 3.45Å | ||
| 115 | N | 94.4 | Very high | 93 | Very high | 82 Ų | 82 | 42.3 Ų | 42.3 | 44% | 0.439 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 48.8 | 55.9 | 175.1 | -178.2 | 32.7 | 0 | 0 | 0 | 112 | D38 N39 R96 Q117 | D38-N115 PolarHBondContact O-N 2.52Å; N39-N115 PolarHBondContact OD1-N 3.03Å; R96-N115 PolarHBondContact NH1-O 2.94Å; N115-Q117 PolarHBondContact O-NE2 3.37Å; N115-Q117 PolarHBondContact OD1-NE2 2.79Å |
| 116 | L | 94.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -53.4 | 137.4 | -174 | -72.2 | 166.8 | 0 | 0 | 0 | 112.2 | L34 G37 D38 V40 L113 M114 V142 | L34-L116 HydrophobicContact CB-CD1 3.68Å; L34-L116 HydrophobicContact CD1-CD1 3.52Å; L34-L116 HydrophobicContact CG-CD1 4.18Å; G37-L116 PolarHBondContact N-O 2.83Å; D38-L116 HydrophobicContact CB-CD1 4.18Å; D38-L116 VanDerWaalsContact O-CG 3.27Å; D38-L116 WeakPolarHBondContact O-CG 3.32Å; D38-L116 PolarHBondContact O-N 2.96Å; V40-L116 HydrophobicContact CB-CD1 4.2Å; V40-L116 HydrophobicContact CG1-CD1 3.91Å; V40-L116 HydrophobicContact CG1-CD2 4.15Å; V40-L116 HydrophobicContact CG1-CG 4.44Å; L113-L116 HydrophobicContact CB-CD2 4.47Å; L113-L116 HydrophobicContact CD2-CD2 3.5Å; L113-L116 HydrophobicContact CG-CD2 3.7Å; M114-L116 PolarHBondContact O-N 3.45Å; L116-V142 HydrophobicContact CB-CG1 4.06Å; L116-V142 HydrophobicContact CB-CG2 4.17Å; L116-V142 HydrophobicContact CD2-CG2 4.19Å | ||
| 117 | Q | 93.1 | Very high | 93.4 | Very high | 58 Ų | 58 | 35.4 Ų | 35.4 | 27% | 0.271 | 19% | 0.193 | S | C | . | . | trans | -113.2 | 153.1 | 176.4 | -58.5 | -60.9 | -59 | 0 | 0 | 109.7 | N115 S119 D120 V142 | N115-Q117 PolarHBondContact O-NE2 3.37Å; N115-Q117 PolarHBondContact OD1-NE2 2.79Å; Q117-S119 PolarHBondContact O-N 2.71Å; Q117-S119 VanDerWaalsContact O-N 3.15Å; Q117-D120 PolarHBondContact N-OD2 3.12Å; Q117-D120 VanDerWaalsContact O-CB 3.27Å; Q117-D120 WeakPolarHBondContact O-CB 3.27Å; Q117-D120 PolarHBondContact O-N 2.98Å; Q117-V142 WeakPolarHBondContact O-CB 3.42Å; Q117-V142 WeakPolarHBondContact O-CG1 3.43Å | ||
| 118 | V | 91.6 | Very high | 93.5 | Very high | 61 Ų | 61 | 30 Ų | 30 | 37% | 0.37 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -56.9 | -33.5 | 177.2 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | E36 D120 T121 | E36-V118 HydrophobicContact CB-CG2 4.49Å; V118-D120 PolarHBondContact O-N 2.69Å; V118-T121 WeakPolarHBondContact O-CB 3.41Å; V118-T121 PolarHBondContact O-N 3.05Å; V118-T121 PolarHBondContact O-OG1 2.7Å |
| 119 | S | 90.1 | Very high | 93.5 | Very high | 103 Ų | 103 | 31.1 Ų | 31.1 | 72% | 0.72 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -66.7 | -14.8 | 175 | 59.1 | 0 | 0 | 0 | 0 | 114.7 | Q117 T121 | Q117-S119 PolarHBondContact O-N 2.71Å; Q117-S119 VanDerWaalsContact O-N 3.15Å; S119-T121 PolarHBondContact O-N 2.93Å |
| 120 | D | 91.2 | Very high | 93.3 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -80.9 | -1 | 177.5 | -58.6 | -29.3 | 0 | 0 | 0 | 112.1 | R96 Q117 V118 A122 Y124 V142 | R96-D120 IonicContact CZ-OD1 3.45Å; R96-D120 IonicContact CZ-OD2 3.99Å; R96-D120 VanDerWaalsContact CZ-OD2 3.31Å; R96-D120 IonicContact NH1-OD2 3.16Å; R96-D120 PolarHBondContact NH1-OD2 2.96Å; R96-D120 VanDerWaalsContact NH2-CG 3.32Å; R96-D120 IonicContact NH2-OD1 2.94Å; R96-D120 PolarHBondContact NH2-OD1 3.13Å; R96-D120 IonicContact NH2-OD2 3.81Å; R96-D120 PolarHBondContact NH2-OD2 3.07Å; Q117-D120 PolarHBondContact N-OD2 3.12Å; Q117-D120 VanDerWaalsContact O-CB 3.27Å; Q117-D120 WeakPolarHBondContact O-CB 3.27Å; Q117-D120 PolarHBondContact O-N 2.98Å; V118-D120 PolarHBondContact O-N 2.69Å; D120-A122 PolarHBondContact O-N 2.88Å; D120-A122 VanDerWaalsContact O-N 3.1Å; D120-Y124 WeakPolarHBondContact O-CE2 3.41Å; D120-Y124 PolarHBondContact O-OH 2.93Å; D120-V142 HydrophobicContact CB-CG2 4.39Å |
| 121 | T | 91.9 | Very high | 92.8 | Very high | 63 Ų | 63 | 38 Ų | 38 | 39% | 0.387 | 21% | 0.213 | S | C | . | . | trans | -61.2 | 109.5 | 175.4 | -63.9 | 0 | 0 | 0 | 0 | 110.4 | V118 S119 V140 T141 V142 | V118-T121 WeakPolarHBondContact O-CB 3.41Å; V118-T121 PolarHBondContact O-N 3.05Å; V118-T121 PolarHBondContact O-OG1 2.7Å; S119-T121 PolarHBondContact O-N 2.93Å; T121-V140 WeakPolarHBondContact CA-O 3.45Å; T121-T141 HydrophobicContact CG2-CG2 4.45Å; T121-V142 PolarHBondContact OG1-N 3.31Å; T121-V142 PolarHBondContact OG1-O 2.68Å | ||
| 122 | A | 91 | Very high | 92.5 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 19% | 0.19 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 168.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | Q64 D120 Y124 V140 | Q64-A122 HydrophobicContact CB-CB 4.44Å; Q64-A122 HydrophobicContact CG-CB 4.03Å; D120-A122 PolarHBondContact O-N 2.88Å; D120-A122 VanDerWaalsContact O-N 3.1Å; A122-Y124 HydrophobicContact CB-CD2 4.38Å; A122-Y124 HydrophobicContact CB-CE2 3.86Å; A122-Y124 WeakPolarHBondContact O-CD2 3.24Å; A122-V140 PolarHBondContact N-O 3.42Å; A122-V140 VanDerWaalsContact N-O 3.11Å; A122-V140 PolarHBondContact O-N 3.1Å |
| 123 | T | 91.9 | Very high | 92.2 | Very high | 20 Ų | 20 | 42.8 Ų | 42.8 | 12% | 0.123 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 117.3 | 164 | -57.7 | 0 | 0 | 0 | 0 | 108.6 | Q64 V65 K137 I139 | Q64-T123 WeakPolarHBondContact CA-O 3.29Å; V65-T123 HydrophobicContact CB-CG2 4.46Å; V65-T123 PolarHBondContact N-O 3.32Å; T123-K137 HydrophobicContact CG2-CB 4.31Å; T123-I139 HydrophobicContact CG2-CG1 4.28Å |
| 124 | Y | 92.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.2 | 175.9 | -66.9 | -97 | 0 | 0 | 0 | 109.4 | L42 M63 Q64 F77 L113 D120 A122 K137 V138 V140 | L42-Y124 HydrophobicContact CD1-CD1 4.38Å; L42-Y124 HydrophobicContact CD1-CD2 4.42Å; L42-Y124 HydrophobicContact CD1-CG 4.03Å; M63-Y124 WeakPolarHBondContact O-CA 3.34Å; Q64-Y124 HydrophobicContact CG-CD1 4.07Å; Q64-Y124 HydrophobicContact CG-CE1 3.72Å; Q64-Y124 PolarHBondContact NE2-OH 3.18Å; F77-Y124 AromaticContact CE1-CD1 3.64Å; F77-Y124 HydrophobicContact CE1-CD1 3.64Å; F77-Y124 AromaticContact CE1-CE1 3.85Å; F77-Y124 HydrophobicContact CE1-CE1 3.85Å; F77-Y124 AromaticContact CZ-CD1 3.74Å; F77-Y124 HydrophobicContact CZ-CD1 3.74Å; F77-Y124 AromaticContact CZ-CE1 3.98Å; F77-Y124 HydrophobicContact CZ-CE1 3.98Å; L113-Y124 HydrophobicContact CD2-CE1 4.44Å; D120-Y124 WeakPolarHBondContact O-CE2 3.41Å; D120-Y124 PolarHBondContact O-OH 2.93Å; A122-Y124 HydrophobicContact CB-CD2 4.38Å; A122-Y124 HydrophobicContact CB-CE2 3.86Å; A122-Y124 WeakPolarHBondContact O-CD2 3.24Å; Y124-K137 CarbonylContact O-C 3.52Å; Y124-K137 WeakPolarHBondContact O-CA 3.43Å; Y124-V138 PolarHBondContact N-O 3.27Å; Y124-V138 PolarHBondContact O-N 3.27Å; Y124-V140 HydrophobicContact CD2-CB 3.79Å; Y124-V140 HydrophobicContact CD2-CG2 3.59Å; Y124-V140 HydrophobicContact CE2-CB 3.74Å; Y124-V140 HydrophobicContact CE2-CG1 4.35Å; Y124-V140 HydrophobicContact CE2-CG2 3.95Å |
| 125 | E | 92.9 | Very high | 91.9 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 7% | 0.065 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126 | 176.8 | -177.4 | 178.6 | 131.6 | 0 | 0 | 109.6 | W62 M63 V65 R127 T135 R136 K137 | W62-E125 WeakPolarHBondContact CA-O 3.15Å; M63-E125 HydrophobicContact CG-CB 3.87Å; M63-E125 PolarHBondContact N-O 2.88Å; M63-E125 PolarHBondContact O-N 3.02Å; M63-E125 HydrophobicContact SD-CB 4.46Å; V65-E125 HydrophobicContact CG2-CB 3.52Å; V65-E125 HydrophobicContact CG2-CG 4.43Å; V65-E125 WeakPolarHBondContact CG2-OE2 3.35Å; E125-R127 IonicContact OE1-CZ 2.83Å; E125-R127 IonicContact OE1-NE 3.68Å; E125-R127 PolarHBondContact OE1-NE 3.13Å; E125-R127 IonicContact OE1-NH2 3.74Å; E125-R127 PolarHBondContact OE1-NH2 2.76Å; E125-T135 HydrophobicContact CG-CG2 4.48Å; E125-T135 WeakPolarHBondContact OE1-CG2 3.49Å; E125-R136 WeakPolarHBondContact CA-O 3.4Å; E125-K137 HydrophobicContact CB-CG 4.24Å; E125-K137 HydrophobicContact CG-CG 4.1Å; E125-K137 WeakPolarHBondContact OE2-CE 3.4Å; E125-K137 IonicContact OE2-NZ 3.14Å |
| 126 | C | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.6 | 165.7 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | C44 W62 T135 R136 | C44-C126 HydrophobicContact CB-CB 3.73Å; C44-C126 WeakPolarHBondContact CB-SG 3.41Å; C44-C126 WeakPolarHBondContact SG-CB 3.49Å; C44-C126 CovalentContact SG-SG 2.03Å; C44-C126 PolarHBondContact SG-SG 2.77Å; W62-C126 HydrophobicContact CD2-CB 4.07Å; W62-C126 HydrophobicContact CE3-CB 4.25Å; W62-C126 HydrophobicContact CH2-CB 3.78Å; W62-C126 HydrophobicContact CZ2-CB 3.57Å; W62-C126 HydrophobicContact CZ3-CB 4.1Å; C126-T135 CarbonylContact O-C 3.5Å; C126-T135 VanDerWaalsContact O-CA 3.23Å; C126-T135 WeakPolarHBondContact O-CA 3.45Å; C126-R136 PolarHBondContact N-O 2.81Å; C126-R136 PolarHBondContact O-N 2.94Å |
| 127 | R | 93.8 | Very high | 91.6 | Very high | 22 Ų | 22 | 44.6 Ų | 44.6 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 118.7 | -179.4 | -175.4 | -176.5 | -59.6 | -178.5 | -11 | 108.8 | I60 E61 M63 E74 E125 K129 M133 T135 | I60-R127 CarbonylContact C-O 3.43Å; I60-R127 WeakPolarHBondContact CA-O 3.38Å; E61-R127 HydrophobicContact CB-CB 4.34Å; E61-R127 PolarHBondContact N-O 2.82Å; E61-R127 PolarHBondContact O-N 2.96Å; E61-R127 IonicContact OE2-NH1 3.92Å; M63-R127 VanDerWaalsContact CE-NH2 3.34Å; M63-R127 PolarHBondContact SD-NH2 2.83Å; E74-R127 IonicContact OE1-CZ 3.79Å; E74-R127 IonicContact OE1-NH1 3.19Å; E74-R127 PolarHBondContact OE1-NH1 3.48Å; E74-R127 IonicContact OE1-NH2 3.61Å; E74-R127 PolarHBondContact OE1-NH2 2.84Å; E74-R127 IonicContact OE2-CZ 2.72Å; E74-R127 IonicContact OE2-NH1 2.85Å; E74-R127 PolarHBondContact OE2-NH1 3.06Å; E74-R127 IonicContact OE2-NH2 3.77Å; E125-R127 IonicContact OE1-CZ 2.83Å; E125-R127 IonicContact OE1-NE 3.68Å; E125-R127 PolarHBondContact OE1-NE 3.13Å; E125-R127 IonicContact OE1-NH2 3.74Å; E125-R127 PolarHBondContact OE1-NH2 2.76Å; R127-K129 HydrophobicContact CG-CG 4.16Å; R127-M133 HydrophobicContact CG-CG 3.98Å; R127-M133 HydrophobicContact CG-SD 3.7Å; R127-T135 HydrophobicContact CB-CG2 4.14Å; R127-T135 HydrophobicContact CG-CG2 3.89Å |
| 128 | V | 94.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.3 | 177.2 | -175.1 | 0 | 0 | 0 | 0 | 108 | V22 I24 Y46 L58 I60 A109 M133 A134 | V22-V128 HydrophobicContact CG1-CB 4.03Å; V22-V128 HydrophobicContact CG1-CG1 3.79Å; I24-V128 HydrophobicContact CD1-CB 4.46Å; I24-V128 HydrophobicContact CD1-CG2 4.07Å; I24-V128 HydrophobicContact CG1-CG2 4.35Å; Y46-V128 HydrophobicContact CD1-CG1 4.31Å; Y46-V128 HydrophobicContact CD1-CG2 4.16Å; Y46-V128 HydrophobicContact CD2-CG1 3.95Å; Y46-V128 HydrophobicContact CE2-CG1 4.28Å; Y46-V128 HydrophobicContact CG-CG1 3.98Å; Y46-V128 HydrophobicContact CG-CG2 4.25Å; L58-V128 HydrophobicContact CD1-CG1 3.92Å; I60-V128 HydrophobicContact CG1-CG1 4.22Å; I60-V128 HydrophobicContact CG1-CG2 4.34Å; A109-V128 HydrophobicContact CB-CG2 4.16Å; V128-M133 WeakPolarHBondContact O-CA 2.87Å; V128-A134 PolarHBondContact N-O 2.82Å; V128-A134 PolarHBondContact O-N 3.11Å |
| 129 | K | 92.3 | Very high | 91.7 | Very high | 54 Ų | 54 | 41 Ų | 41 | 24% | 0.235 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 134.6 | -178.8 | -54.4 | -176.5 | -153.1 | 135.3 | 0 | 110.4 | D59 E61 R127 M133 | D59-K129 HydrophobicContact CB-CB 4.12Å; D59-K129 PolarHBondContact N-O 2.9Å; D59-K129 PolarHBondContact O-N 2.75Å; D59-K129 WeakPolarHBondContact OD2-CD 3.43Å; D59-K129 WeakPolarHBondContact OD2-CE 3.34Å; D59-K129 IonicContact OD2-NZ 3.66Å; D59-K129 PolarHBondContact OD2-NZ 3.42Å; E61-K129 IonicContact OE1-NZ 3.74Å; E61-K129 PolarHBondContact OE1-NZ 3.4Å; E61-K129 WeakPolarHBondContact OE2-CE 3.48Å; E61-K129 IonicContact OE2-NZ 2.88Å; E61-K129 PolarHBondContact OE2-NZ 3.28Å; R127-K129 HydrophobicContact CG-CG 4.16Å; K129-M133 HydrophobicContact CD-SD 4.25Å; K129-M133 HydrophobicContact CG-CB 4.28Å; K129-M133 HydrophobicContact CG-CG 3.91Å; K129-M133 HydrophobicContact CG-SD 4.07Å |
| 130 | K | 89.4 | Confident | 91.9 | Very high | 41 Ų | 41 | 36.1 Ų | 36.1 | 18% | 0.178 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -143.3 | -122.7 | 172.2 | -164.3 | 67.1 | 163.8 | -166.3 | 0 | 107.7 | V22 L48 D52 G54 N56 G57 L58 T132 | V22-K130 HydrophobicContact CG2-CB 3.48Å; V22-K130 VanDerWaalsContact CG2-CB 3.48Å; L48-K130 HydrophobicContact CD2-CB 4.43Å; L48-K130 HydrophobicContact CD2-CG 4.46Å; D52-K130 HydrophobicContact CB-CG 3.95Å; D52-K130 WeakPolarHBondContact O-CE 3.38Å; D52-K130 VanDerWaalsContact OD2-CG 3.27Å; D52-K130 WeakPolarHBondContact OD2-CG 3.37Å; G54-K130 PolarHBondContact O-NZ 2.87Å; N56-K130 WeakPolarHBondContact O-CE 3.33Å; N56-K130 PolarHBondContact O-NZ 3.01Å; G57-K130 WeakPolarHBondContact O-CD 3.35Å; L58-K130 HydrophobicContact CB-CD 4.31Å; K130-T132 VanDerWaalsContact C-N 3.29Å; K130-T132 PolarHBondContact N-O 3.02Å |
| 131 | T | 87.1 | Confident | 92 | Very high | 107 Ų | 107 | 37.4 Ų | 37.4 | 66% | 0.656 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -70.2 | -31.6 | 168.1 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | D52 | D52-T131 WeakPolarHBondContact OD1-CB 3.1Å; D52-T131 PolarHBondContact OD1-OG1 2.81Å; D52-T131 WeakPolarHBondContact OD2-CB 3.07Å; D52-T131 PolarHBondContact OD2-N 2.84Å; D52-T131 PolarHBondContact OD2-OG1 2.71Å; D52-T131 VanDerWaalsContact OD2-OG1 3.14Å |
| 132 | T | 89.6 | Confident | 92.2 | Very high | 46 Ų | 46 | 34.5 Ų | 34.5 | 28% | 0.282 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -122.8 | 170.9 | 170.6 | 65 | 0 | 0 | 0 | 0 | 110.5 | A21 V22 K130 | A21-T132 HydrophobicContact CB-CG2 3.82Å; A21-T132 WeakPolarHBondContact CB-OG1 3.14Å; A21-T132 PolarHBondContact N-OG1 3.11Å; V22-T132 WeakPolarHBondContact CG2-O 3.44Å; V22-T132 PolarHBondContact N-OG1 3.33Å; K130-T132 VanDerWaalsContact C-N 3.29Å; K130-T132 PolarHBondContact N-O 3.02Å |
| 133 | M | 90.6 | Very high | 92.4 | Very high | 115 Ų | 115 | 33.9 Ų | 33.9 | 57% | 0.567 | 18% | 0.177 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 131.5 | 177.9 | 179.2 | 173.9 | 73.9 | 0 | 0 | 110.2 | R127 V128 K129 T135 | R127-M133 HydrophobicContact CG-CG 3.98Å; R127-M133 HydrophobicContact CG-SD 3.7Å; V128-M133 WeakPolarHBondContact O-CA 2.87Å; K129-M133 HydrophobicContact CD-SD 4.25Å; K129-M133 HydrophobicContact CG-CB 4.28Å; K129-M133 HydrophobicContact CG-CG 3.91Å; K129-M133 HydrophobicContact CG-SD 4.07Å; M133-T135 HydrophobicContact CG-CG2 4.35Å |
| 134 | A | 91.6 | Very high | 92.5 | Very high | 14 Ų | 14 | 34 Ų | 34 | 12% | 0.116 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 143.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V22 I24 V128 | V22-A134 HydrophobicContact CB-CB 4.15Å; V22-A134 HydrophobicContact CG1-CB 3.8Å; I24-A134 VanDerWaalsContact CD1-C 3.5Å; I24-A134 HydrophobicContact CD1-CB 3.8Å; I24-A134 WeakPolarHBondContact CD1-O 3.37Å; I24-A134 HydrophobicContact CG1-CB 3.77Å; V128-A134 PolarHBondContact N-O 2.82Å; V128-A134 PolarHBondContact O-N 3.11Å |
| 135 | T | 91.8 | Very high | 92.5 | Very high | 70 Ų | 70 | 40.4 Ų | 40.4 | 43% | 0.429 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 147.8 | 178.3 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | E125 C126 R127 M133 | E125-T135 HydrophobicContact CG-CG2 4.48Å; E125-T135 WeakPolarHBondContact OE1-CG2 3.49Å; C126-T135 CarbonylContact O-C 3.5Å; C126-T135 VanDerWaalsContact O-CA 3.23Å; C126-T135 WeakPolarHBondContact O-CA 3.45Å; R127-T135 HydrophobicContact CB-CG2 4.14Å; R127-T135 HydrophobicContact CG-CG2 3.89Å; M133-T135 HydrophobicContact CG-CG2 4.35Å |
| 136 | R | 91.6 | Very high | 92.5 | Very high | 37 Ų | 37 | 40 Ų | 40 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 130.9 | 171.2 | 176.3 | 177.2 | 176.3 | 175.5 | -5.4 | 109.4 | I24 N25 E30 G43 E125 C126 | I24-R136 HydrophobicContact CD1-CB 4.24Å; I24-R136 HydrophobicContact CG2-CB 3.8Å; I24-R136 HydrophobicContact CG2-CG 4.43Å; N25-R136 PolarHBondContact O-NH1 2.85Å; E30-R136 IonicContact OE2-CZ 2.74Å; E30-R136 IonicContact OE2-NH2 3.04Å; E30-R136 PolarHBondContact OE2-NH2 2.89Å; G43-R136 PolarHBondContact O-NE 2.83Å; G43-R136 PolarHBondContact O-NH1 2.96Å; G43-R136 VanDerWaalsContact O-NH1 3.09Å; E125-R136 WeakPolarHBondContact CA-O 3.4Å; C126-R136 PolarHBondContact N-O 2.81Å; C126-R136 PolarHBondContact O-N 2.94Å |
| 137 | K | 91.6 | Very high | 92.4 | Very high | 82 Ų | 82 | 41.3 Ų | 41.3 | 36% | 0.357 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 135.2 | 179.3 | -69.5 | -180 | 174.1 | 179.1 | 0 | 110.6 | Q29 E30 T123 Y124 E125 | Q29-K137 HydrophobicContact CG-CB 4.29Å; E30-K137 PolarHBondContact N-O 3.41Å; T123-K137 HydrophobicContact CG2-CB 4.31Å; Y124-K137 CarbonylContact O-C 3.52Å; Y124-K137 WeakPolarHBondContact O-CA 3.43Å; E125-K137 HydrophobicContact CB-CG 4.24Å; E125-K137 HydrophobicContact CG-CG 4.1Å; E125-K137 WeakPolarHBondContact OE2-CE 3.4Å; E125-K137 IonicContact OE2-NZ 3.14Å |
| 138 | V | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 119.3 | 174.5 | -173.5 | 0 | 0 | 0 | 0 | 108.3 | E30 L32 L42 Y124 V140 | E30-V138 HydrophobicContact CB-CG1 4.3Å; E30-V138 HydrophobicContact CG-CG1 4.44Å; E30-V138 CarbonylContact O-C 3.51Å; E30-V138 WeakPolarHBondContact O-CA 3.37Å; L32-V138 HydrophobicContact CD1-CG1 3.75Å; L32-V138 HydrophobicContact CG-CG1 4.05Å; L42-V138 HydrophobicContact CD2-CG1 4.23Å; Y124-V138 PolarHBondContact N-O 3.27Å; Y124-V138 PolarHBondContact O-N 3.27Å; V138-V140 HydrophobicContact CG1-CG2 4.19Å |
| 139 | I | 93.2 | Very high | 92.2 | Very high | 44 Ų | 44 | 44.7 Ų | 44.7 | 23% | 0.226 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 115.3 | 172.8 | -60.9 | 168.9 | 0 | 0 | 0 | 107.5 | Q29 E30 V31 L32 T123 | Q29-I139 HydrophobicContact CG-CD1 3.79Å; Q29-I139 HydrophobicContact CG-CG1 3.95Å; Q29-I139 VanDerWaalsContact NE2-CD1 3.29Å; E30-I139 PolarHBondContact O-N 3.15Å; V31-I139 CarbonylContact C-O 3.52Å; V31-I139 WeakPolarHBondContact CA-O 3.47Å; V31-I139 HydrophobicContact CG1-CB 4.34Å; V31-I139 HydrophobicContact CG1-CG2 4.3Å; V31-I139 HydrophobicContact CG2-CB 4.22Å; V31-I139 HydrophobicContact CG2-CD1 4.01Å; L32-I139 PolarHBondContact N-O 2.87Å; T123-I139 HydrophobicContact CG2-CG1 4.28Å |
| 140 | V | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 119.6 | 176.1 | 176.1 | 0 | 0 | 0 | 0 | 108.4 | L34 L42 T121 A122 Y124 V138 V142 | L34-V140 HydrophobicContact CD1-CG1 3.82Å; L42-V140 HydrophobicContact CD1-CG2 4.2Å; L42-V140 HydrophobicContact CD2-CG2 3.92Å; T121-V140 WeakPolarHBondContact CA-O 3.45Å; A122-V140 PolarHBondContact N-O 3.42Å; A122-V140 VanDerWaalsContact N-O 3.11Å; A122-V140 PolarHBondContact O-N 3.1Å; Y124-V140 HydrophobicContact CD2-CB 3.79Å; Y124-V140 HydrophobicContact CD2-CG2 3.59Å; Y124-V140 HydrophobicContact CE2-CB 3.74Å; Y124-V140 HydrophobicContact CE2-CG1 4.35Å; Y124-V140 HydrophobicContact CE2-CG2 3.95Å; V138-V140 HydrophobicContact CG1-CG2 4.19Å; V140-V142 HydrophobicContact CG1-CG2 3.95Å |
| 141 | T | 94.1 | Very high | 92.3 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 108.7 | 174.2 | -54.5 | 0 | 0 | 0 | 0 | 109.1 | L32 Y33 L34 T121 Q143 | L32-T141 PolarHBondContact O-N 3.08Å; Y33-T141 WeakPolarHBondContact CA-O 3.4Å; Y33-T141 HydrophobicContact CD1-CG2 3.99Å; Y33-T141 HydrophobicContact CE1-CG2 4.02Å; L34-T141 PolarHBondContact N-O 2.93Å; T121-T141 HydrophobicContact CG2-CG2 4.45Å; T141-Q143 HydrophobicContact CG2-CG 4.13Å |
| 142 | V | 95.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.2 | 178.1 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | L34 E36 L116 Q117 D120 T121 V140 | L34-V142 CarbonylContact O-C 3.54Å; L34-V142 WeakPolarHBondContact O-CA 3.33Å; E36-V142 HydrophobicContact CB-CG1 4.44Å; L116-V142 HydrophobicContact CB-CG1 4.06Å; L116-V142 HydrophobicContact CB-CG2 4.17Å; L116-V142 HydrophobicContact CD2-CG2 4.19Å; Q117-V142 WeakPolarHBondContact O-CB 3.42Å; Q117-V142 WeakPolarHBondContact O-CG1 3.43Å; D120-V142 HydrophobicContact CB-CG2 4.39Å; T121-V142 PolarHBondContact OG1-N 3.31Å; T121-V142 PolarHBondContact OG1-O 2.68Å; V140-V142 HydrophobicContact CG1-CG2 3.95Å |
| 143 | Q | 94.4 | Very high | 92.8 | Very high | 9 Ų | 9 | 47.2 Ų | 47.2 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 142.1 | -176.8 | -68.7 | -173.3 | 18.7 | 0 | 0 | 111.4 | Y33 L34 A35 E36 T141 S173 V245 | Y33-Q143 VanDerWaalsContact CD1-NE2 3.31Å; L34-Q143 PolarHBondContact O-N 2.85Å; A35-Q143 CarbonylContact C-O 3.59Å; A35-Q143 WeakPolarHBondContact CA-O 3.49Å; E36-Q143 PolarHBondContact N-O 3.43Å; T141-Q143 HydrophobicContact CG2-CG 4.13Å; Q143-S173 WeakPolarHBondContact CA-OG 3.47Å; Q143-V245 HydrophobicContact CB-CB 4.41Å; Q143-V245 HydrophobicContact CB-CG1 3.88Å; Q143-V245 HydrophobicContact CB-CG2 3.61Å; Q143-V245 HydrophobicContact CG-CG1 4.49Å |
| 144 | A | 94.4 | Very high | 92.9 | Very high | 23 Ų | 23 | 45.8 Ų | 45.8 | 19% | 0.19 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -78.3 | 134.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | S173 N243 | A144-S173 PolarHBondContact N-OG 2.93Å; A144-S173 PolarHBondContact O-N 3.35Å; A144-N243 PolarHBondContact O-ND2 3.03Å |
| 145 | R | 92.1 | Very high | 92.8 | Very high | 136 Ų | 136 | 47.6 Ų | 47.6 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 151.7 | 173.3 | -66.8 | 178.1 | -170.7 | -102 | -5.9 | 110 | A35 A147 G172 V245 | A35-R145 HydrophobicContact CB-CG 4.39Å; R145-A147 PolarHBondContact O-N 3.39Å; R145-G172 WeakPolarHBondContact O-CA 3.48Å; R145-V245 HydrophobicContact CG-CG2 4.14Å; R145-V245 VanDerWaalsContact CZ-O 3.31Å; R145-V245 PolarHBondContact NH1-O 3.21Å |
| 146 | P | 92.9 | Very high | 92.7 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 135.7 | 177.1 | -23.4 | 35.4 | 0 | 0 | 0 | 110.7 | L176 V241 N243 S248 | P146-L176 HydrophobicContact CB-CD2 4.09Å; P146-L176 HydrophobicContact CG-CD2 3.92Å; P146-V241 HydrophobicContact CB-CB 4.4Å; P146-V241 HydrophobicContact CB-CG1 4.1Å; P146-N243 HydrophobicContact CG-CB 4.32Å; P146-S248 WeakPolarHBondContact O-CB 3.49Å; P146-S248 PolarHBondContact O-OG 3.19Å |
| 147 | A | 92.4 | Very high | 92.7 | Very high | 28 Ų | 28 | 52.7 Ų | 52.7 | 23% | 0.231 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 157.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | R145 P149 N170 G171 S248 | R145-A147 PolarHBondContact O-N 3.39Å; A147-P149 VanDerWaalsContact O-CD 3.27Å; A147-P149 WeakPolarHBondContact O-CD 3.19Å; A147-P149 VanDerWaalsContact O-N 3.11Å; A147-N170 WeakPolarHBondContact CB-OD1 3.14Å; A147-G171 PolarHBondContact N-O 3.46Å; A147-S248 WeakPolarHBondContact O-CB 3.29Å |
| 148 | V | 91.8 | Very high | 92.7 | Very high | 86 Ų | 86 | 50.4 Ų | 50.4 | 52% | 0.521 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 117.5 | 175.2 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | A192 | V148-A192 HydrophobicContact CG2-CB 4.43Š|
| 149 | P | 92.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 55.2 Ų | 55.2 | 5% | 0.045 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 149.4 | -173.2 | 26.7 | -31.5 | 0 | 0 | 0 | 111.9 | A147 Y168 A169 V241 C250 | A147-P149 VanDerWaalsContact O-CD 3.27Å; A147-P149 WeakPolarHBondContact O-CD 3.19Å; A147-P149 VanDerWaalsContact O-N 3.11Å; P149-Y168 CarbonylContact C-O 3.57Å; P149-Y168 VanDerWaalsContact CA-O 3.3Å; P149-Y168 WeakPolarHBondContact CA-O 3.34Å; P149-A169 HydrophobicContact CB-CB 4.3Å; P149-V241 HydrophobicContact CB-CG2 3.81Å; P149-V241 HydrophobicContact CG-CG2 3.85Å; P149-C250 HydrophobicContact CG-CB 3.9Å; P149-C250 WeakPolarHBondContact O-CB 3.31Å |
| 150 | M | 92.1 | Very high | 92.4 | Very high | 117 Ų | 117 | 54.9 Ų | 54.9 | 58% | 0.576 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 131.3 | 170.3 | -65 | -179.5 | 65.2 | 0 | 0 | 109.5 | W152 C167 Y168 | M150-W152 HydrophobicContact CB-CZ3 4.3Å; M150-W152 WeakPolarHBondContact O-CZ3 3.41Å; M150-C167 WeakPolarHBondContact O-CA 3.35Å; M150-Y168 PolarHBondContact N-O 3.19Å; M150-Y168 PolarHBondContact O-N 2.82Å |
| 151 | C | 92.7 | Very high | 92.2 | Very high | 31 Ų | 31 | 57.6 Ų | 57.6 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 137.8 | -175.6 | -57 | 0 | 0 | 0 | 0 | 112 | K166 C167 W180 C250 V252 | C151-K166 WeakPolarHBondContact CA-O 3.36Å; C151-K166 WeakPolarHBondContact CB-O 3.35Å; C151-C167 PolarHBondContact SG-SG 2.63Å; C151-W180 HydrophobicContact CB-CH2 4.39Å; C151-C250 HydrophobicContact CB-CB 3.74Å; C151-C250 WeakPolarHBondContact CB-SG 3.24Å; C151-C250 WeakPolarHBondContact SG-CB 3.21Å; C151-C250 CovalentContact SG-SG 1.97Å; C151-C250 PolarHBondContact SG-SG 2.98Å; C151-V252 HydrophobicContact CB-CG1 3.54Å |
| 152 | W | 93.3 | Very high | 92.1 | Very high | 110 Ų | 110 | 60.4 Ų | 60.4 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 172.4 | -176.5 | 67 | 97.3 | 0 | 0 | 0 | 110.7 | M150 E154 K166 | M150-W152 HydrophobicContact CB-CZ3 4.3Å; M150-W152 WeakPolarHBondContact O-CZ3 3.41Å; W152-E154 PolarHBondContact NE1-OE1 3.13Å; W152-K166 HydrophobicContact CD2-CB 3.59Å; W152-K166 HydrophobicContact CD2-CG 4.31Å; W152-K166 HydrophobicContact CE3-CB 4.03Å; W152-K166 HydrophobicContact CG-CB 4.1Å; W152-K166 HydrophobicContact CH2-CB 3.92Å; W152-K166 HydrophobicContact CZ2-CB 3.48Å; W152-K166 VanDerWaalsContact CZ2-CB 3.48Å; W152-K166 HydrophobicContact CZ2-CG 3.83Å; W152-K166 HydrophobicContact CZ3-CB 4.17Å; W152-K166 PolarHBondContact N-O 3.05Å; W152-K166 VanDerWaalsContact N-O 3.17Å; W152-K166 PolarHBondContact O-N 3.09Å |
| 153 | T | 93.3 | Very high | 91.9 | Very high | 43 Ų | 43 | 60.3 Ų | 60.3 | 26% | 0.264 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138.6 | 179.6 | 61.1 | 0 | 0 | 0 | 0 | 110.4 | V164 L165 V252 | T153-V164 CarbonylContact C-O 3.54Å; T153-V164 WeakPolarHBondContact CA-O 3.37Å; T153-L165 HydrophobicContact CG2-CD2 3.65Å; T153-V252 HydrophobicContact CG2-CB 4.27Å; T153-V252 HydrophobicContact CG2-CG2 4.39Å |
| 154 | E | 92.8 | Very high | 91.8 | Very high | 85 Ų | 85 | 61.7 Ų | 61.7 | 40% | 0.397 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 132.8 | 174.2 | -68.6 | 179.1 | -174.3 | 0 | 0 | 110.3 | W152 V163 V164 K166 | W152-E154 PolarHBondContact NE1-OE1 3.13Å; E154-V163 WeakPolarHBondContact O-CG1 3.34Å; E154-V164 HydrophobicContact CB-CB 4.45Å; E154-V164 PolarHBondContact N-O 3.09Å; E154-V164 PolarHBondContact O-N 3.01Å; E154-K166 HydrophobicContact CG-CG 4.06Å; E154-K166 WeakPolarHBondContact OE1-CE 3.3Å; E154-K166 WeakPolarHBondContact OE2-CE 3.46Å; E154-K166 IonicContact OE2-NZ 2.98Å |
| 155 | G | 89.5 | Confident | 91.6 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 55% | 0.546 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 110.5 | 169.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 156 | H | 90.3 | Very high | 91.6 | Very high | 147 Ų | 147 | 56 Ų | 56 | 68% | 0.681 | 31% | 0.309 | S | S | * | . | trans | -88.9 | 119.3 | 179.7 | -73.5 | -75.6 | 0 | 0 | 0 | 110.4 | T158 N161 | H156-T158 PolarHBondContact O-N 2.99Å; H156-N161 WeakPolarHBondContact CB-ND2 3.25Å; H156-N161 WeakPolarHBondContact O-CB 3.24Å; H156-N161 PolarHBondContact O-ND2 3.45Å | ||
| 157 | M | 90.6 | Very high | 91.5 | Very high | 66 Ų | 66 | 56 Ų | 56 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | trans | -72.6 | 57.1 | 176 | -64.8 | -176.7 | -89.5 | 0 | 0 | 112.1 | K255 S257 | M157-K255 WeakPolarHBondContact CB-O 3.38Å; M157-S257 WeakPolarHBondContact O-CB 3.18Å; M157-S257 PolarHBondContact O-N 2.96Å | ||
| 158 | T | 91.2 | Very high | 91.4 | Very high | 35 Ų | 35 | 60.7 Ų | 60.7 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -114.4 | 144.9 | 173.1 | 53.4 | 0 | 0 | 0 | 0 | 110.6 | H156 G160 N161 I229 S257 | H156-T158 PolarHBondContact O-N 2.99Å; T158-G160 PolarHBondContact O-N 3.06Å; T158-N161 WeakPolarHBondContact O-CB 3.3Å; T158-N161 PolarHBondContact O-N 3.27Å; T158-N161 VanDerWaalsContact O-N 3.12Å; T158-N161 PolarHBondContact OG1-ND2 3.21Å; T158-I229 WeakPolarHBondContact O-CG1 3.47Å; T158-S257 CarbonylContact C-O 3.59Å; T158-S257 VanDerWaalsContact CA-O 3.27Å; T158-S257 WeakPolarHBondContact CA-O 3.35Å |
| 159 | H | 91.8 | Very high | 91.3 | Very high | 101 Ų | 101 | 56.8 Ų | 56.8 | 47% | 0.468 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 129.7 | 179.6 | -173.8 | -61.8 | 0 | 0 | 0 | 111.2 | I229 V256 S257 | H159-I229 CarbonylContact C-O 3.55Å; H159-I229 VanDerWaalsContact CA-O 3.29Å; H159-I229 WeakPolarHBondContact CA-O 3.19Å; H159-V256 HydrophobicContact CB-CG1 4.19Å; H159-S257 PolarHBondContact N-O 3.5Å |
| 160 | G | 88.9 | Confident | 91.2 | Very high | 36 Ų | 36 | 61.7 Ų | 61.7 | 37% | 0.371 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.7 | -7.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | T158 D228 I229 | T158-G160 PolarHBondContact O-N 3.06Å; G160-D228 VanDerWaalsContact CA-OD1 3.28Å; G160-D228 WeakPolarHBondContact CA-OD1 3.43Å; G160-I229 PolarHBondContact N-O 2.76Å |
| 161 | N | 90.3 | Very high | 91.2 | Very high | 57 Ų | 57 | 57.4 Ų | 57.4 | 31% | 0.305 | 31% | 0.31 | S | S | . | . | trans | -90.9 | 161.7 | -179.6 | -73.7 | 0.9 | 0 | 0 | 0 | 112.8 | H156 T158 D228 I229 | H156-N161 WeakPolarHBondContact CB-ND2 3.25Å; H156-N161 WeakPolarHBondContact O-CB 3.24Å; H156-N161 PolarHBondContact O-ND2 3.45Å; T158-N161 WeakPolarHBondContact O-CB 3.3Å; T158-N161 PolarHBondContact O-N 3.27Å; T158-N161 VanDerWaalsContact O-N 3.12Å; T158-N161 PolarHBondContact OG1-ND2 3.21Å; N161-D228 PolarHBondContact O-N 2.83Å; N161-I229 WeakPolarHBondContact O-CG1 3.45Å; N161-I229 PolarHBondContact O-N 2.8Å | ||
| 162 | D | 91 | Very high | 91.1 | Very high | 92 Ų | 92 | 57.4 Ų | 57.4 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | trans | -93.2 | 135.1 | 165.8 | -65.9 | -2.5 | 0 | 0 | 0 | 109.6 | L226 K227 D228 | D162-L226 CarbonylContact C-O 3.57Å; D162-L226 WeakPolarHBondContact CA-O 3.05Å; D162-K227 WeakPolarHBondContact OD1-CA 3.48Å; D162-D228 PolarHBondContact OD1-N 2.87Å | ||
| 163 | V | 91.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.9 | 178.7 | 170.4 | 0 | 0 | 0 | 0 | 109.2 | E154 L165 L226 I229 | E154-V163 WeakPolarHBondContact O-CG1 3.34Å; V163-L165 HydrophobicContact CG1-CD2 4.23Å; V163-L226 PolarHBondContact N-O 3.33Å; V163-L226 PolarHBondContact O-N 2.82Å; V163-I229 HydrophobicContact CB-CD1 4.44Å; V163-I229 HydrophobicContact CG2-CD1 3.61Å |
| 164 | V | 92.2 | Very high | 91 | Very high | 37 Ų | 37 | 57.8 Ų | 57.8 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.7 | 178.2 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | T153 E154 K166 D223 L224 V225 | T153-V164 CarbonylContact C-O 3.54Å; T153-V164 WeakPolarHBondContact CA-O 3.37Å; E154-V164 HydrophobicContact CB-CB 4.45Å; E154-V164 PolarHBondContact N-O 3.09Å; E154-V164 PolarHBondContact O-N 3.01Å; V164-K166 HydrophobicContact CG1-CD 4.03Å; V164-D223 HydrophobicContact CG1-CB 4.12Å; V164-L224 CarbonylContact C-O 3.6Å; V164-L224 WeakPolarHBondContact CA-O 3.01Å; V164-V225 HydrophobicContact CG1-CG2 4.43Å; V164-V225 HydrophobicContact CG2-CG2 4.24Å |
| 165 | L | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.7 | 168.5 | -40.5 | -177.2 | 0 | 0 | 0 | 108.5 | T153 V163 W180 D223 L224 L226 Y237 V252 V254 | T153-L165 HydrophobicContact CG2-CD2 3.65Å; V163-L165 HydrophobicContact CG1-CD2 4.23Å; L165-W180 HydrophobicContact CB-CH2 3.71Å; L165-W180 HydrophobicContact CB-CZ2 3.72Å; L165-W180 HydrophobicContact CB-CZ3 4.23Å; L165-W180 HydrophobicContact CD1-CE3 4.31Å; L165-W180 HydrophobicContact CD1-CH2 4.45Å; L165-W180 HydrophobicContact CD1-CZ3 4.14Å; L165-D223 WeakPolarHBondContact O-CA 3.27Å; L165-L224 HydrophobicContact CB-CB 4.02Å; L165-L224 HydrophobicContact CD1-CB 4.35Å; L165-L224 HydrophobicContact CD1-CD2 3.73Å; L165-L224 HydrophobicContact CG-CB 4.26Å; L165-L224 HydrophobicContact CG-CD2 4.42Å; L165-L224 PolarHBondContact N-O 3.43Å; L165-L224 PolarHBondContact O-N 3.14Å; L165-L226 HydrophobicContact CD1-CD1 4.2Å; L165-L226 HydrophobicContact CD2-CD1 4.29Å; L165-L226 HydrophobicContact CG-CD1 4.33Å; L165-L226 HydrophobicContact CG-CG 4.49Å; L165-Y237 HydrophobicContact CD1-CD1 3.64Å; L165-Y237 HydrophobicContact CD1-CD2 4.26Å; L165-Y237 HydrophobicContact CD1-CE1 4.33Å; L165-Y237 HydrophobicContact CD1-CG 3.59Å; L165-V252 HydrophobicContact CB-CG2 4.44Å; L165-V252 HydrophobicContact CD1-CG2 4.01Å; L165-V252 HydrophobicContact CD2-CG2 4.23Å; L165-V252 HydrophobicContact CG-CG2 4.47Å; L165-V254 HydrophobicContact CD1-CG2 4.38Å; L165-V254 HydrophobicContact CD2-CG2 3.8Å |
| 166 | K | 91.3 | Very high | 90.9 | Very high | 39 Ų | 39 | 56.7 Ų | 56.7 | 17% | 0.17 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142.6 | -178.1 | -63.7 | -66.5 | -164.9 | 168.2 | 0 | 110.2 | C151 W152 E154 V164 D223 | C151-K166 WeakPolarHBondContact CA-O 3.36Å; C151-K166 WeakPolarHBondContact CB-O 3.35Å; W152-K166 HydrophobicContact CD2-CB 3.59Å; W152-K166 HydrophobicContact CD2-CG 4.31Å; W152-K166 HydrophobicContact CE3-CB 4.03Å; W152-K166 HydrophobicContact CG-CB 4.1Å; W152-K166 HydrophobicContact CH2-CB 3.92Å; W152-K166 HydrophobicContact CZ2-CB 3.48Å; W152-K166 VanDerWaalsContact CZ2-CB 3.48Å; W152-K166 HydrophobicContact CZ2-CG 3.83Å; W152-K166 HydrophobicContact CZ3-CB 4.17Å; W152-K166 PolarHBondContact N-O 3.05Å; W152-K166 VanDerWaalsContact N-O 3.17Å; W152-K166 PolarHBondContact O-N 3.09Å; E154-K166 HydrophobicContact CG-CG 4.06Å; E154-K166 WeakPolarHBondContact OE1-CE 3.3Å; E154-K166 WeakPolarHBondContact OE2-CE 3.46Å; E154-K166 IonicContact OE2-NZ 2.98Å; V164-K166 HydrophobicContact CG1-CD 4.03Å; K166-D223 HydrophobicContact CD-CB 4.43Å; K166-D223 WeakPolarHBondContact CD-OD1 3Å; K166-D223 WeakPolarHBondContact CD-OD2 2.97Å; K166-D223 IonicContact NZ-OD1 2.65Å; K166-D223 IonicContact NZ-OD2 3.74Å; K166-D223 PolarHBondContact NZ-OD2 2.86Å |
| 167 | C | 90.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.034 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 127 | 177.1 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | M150 C151 Y178 W180 C239 | M150-C167 WeakPolarHBondContact O-CA 3.35Å; C151-C167 PolarHBondContact SG-SG 2.63Å; C167-Y178 HydrophobicContact CB-CD1 4.34Å; C167-Y178 WeakPolarHBondContact O-CE1 3.46Å; C167-W180 HydrophobicContact CB-CH2 4.2Å; C167-W180 HydrophobicContact CB-CZ2 3.46Å; C167-W180 VanDerWaalsContact CB-CZ2 3.46Å; C167-C239 HydrophobicContact CB-CB 3.56Å; C167-C239 WeakPolarHBondContact CB-SG 3.46Å; C167-C239 WeakPolarHBondContact SG-CB 3.42Å; C167-C239 CovalentContact SG-SG 2.04Å; C167-C239 PolarHBondContact SG-SG 3.03Å |
| 168 | Y | 90.8 | Very high | 90.8 | Very high | 127 Ų | 127 | 51.4 Ų | 51.4 | 50% | 0.498 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 126.5 | -177.7 | 176.5 | -106.4 | 0 | 0 | 0 | 111.9 | P149 M150 N170 | P149-Y168 CarbonylContact C-O 3.57Å; P149-Y168 VanDerWaalsContact CA-O 3.3Å; P149-Y168 WeakPolarHBondContact CA-O 3.34Å; M150-Y168 PolarHBondContact N-O 3.19Å; M150-Y168 PolarHBondContact O-N 2.82Å; Y168-N170 HydrophobicContact CD1-CB 4.48Å; Y168-N170 HydrophobicContact CE1-CB 3.82Å |
| 169 | A | 90.4 | Very high | 90.6 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.033 | 31% | 0.309 | C | S | . | . | trans | -97.3 | 125.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P149 G171 L176 Y178 V241 | P149-A169 HydrophobicContact CB-CB 4.3Å; A169-G171 VanDerWaalsContact C-N 3.29Å; A169-G171 PolarHBondContact O-N 3.31Å; A169-L176 HydrophobicContact CB-CD1 4.33Å; A169-Y178 PolarHBondContact N-OH 3.12Å; A169-V241 HydrophobicContact CB-CB 4.48Å; A169-V241 HydrophobicContact CB-CG1 3.98Å; A169-V241 HydrophobicContact CB-CG2 4.45Å | ||
| 170 | N | 89.7 | Confident | 90.5 | Very high | 110 Ų | 110 | 53.6 Ų | 53.6 | 59% | 0.588 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -87.2 | 8.9 | -179.2 | 69.1 | -16.4 | 0 | 0 | 0 | 114 | A147 Y168 | A147-N170 WeakPolarHBondContact CB-OD1 3.14Å; Y168-N170 HydrophobicContact CD1-CB 4.48Å; Y168-N170 HydrophobicContact CE1-CB 3.82Å |
| 171 | G | 90.9 | Very high | 90.3 | Very high | 26 Ų | 26 | 53.9 Ų | 53.9 | 27% | 0.268 | 29% | 0.293 | S | S | . | . | trans | -168.1 | 168.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A147 A169 | A147-G171 PolarHBondContact N-O 3.46Å; A169-G171 VanDerWaalsContact C-N 3.29Å; A169-G171 PolarHBondContact O-N 3.31Å | ||
| 172 | G | 91.4 | Very high | 90.2 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 32% | 0.32 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 110.5 | 157.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R145 | R145-G172 WeakPolarHBondContact O-CA 3.48Š|
| 173 | S | 93.2 | Very high | 89.8 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 141.2 | 177.9 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | Q143 A144 L176 N243 | Q143-S173 WeakPolarHBondContact CA-OG 3.47Å; A144-S173 PolarHBondContact N-OG 2.93Å; A144-S173 PolarHBondContact O-N 3.35Å; S173-L176 WeakPolarHBondContact O-CD2 3.49Å; S173-N243 PolarHBondContact O-ND2 2.72Å; S173-N243 VanDerWaalsContact O-ND2 3.12Å |
| 174 | Q | 90.3 | Very high | 88.8 | Confident | 136 Ų | 136 | 57.2 Ų | 57.2 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -72.5 | 154.4 | 174.4 | -64.6 | -62 | -28.2 | 0 | 0 | 111.5 | ||
| 175 | P | 91.8 | Very high | 87.2 | Confident | 87 Ų | 87 | 58.6 Ų | 58.6 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | cis | -82.3 | 133.9 | -0.4 | 32.1 | -33.3 | 0 | 0 | 0 | 112.8 | ||
| 176 | L | 88.8 | Confident | 85.3 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 14% | 0.141 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -89.4 | 128.3 | 172.8 | -62 | 179.1 | 0 | 0 | 0 | 110.8 | P146 A169 S173 Y178 V241 N243 | P146-L176 HydrophobicContact CB-CD2 4.09Å; P146-L176 HydrophobicContact CG-CD2 3.92Å; A169-L176 HydrophobicContact CB-CD1 4.33Å; S173-L176 WeakPolarHBondContact O-CD2 3.49Å; L176-Y178 HydrophobicContact CB-CE2 3.86Å; L176-V241 HydrophobicContact CB-CG1 4.21Å; L176-V241 HydrophobicContact CD2-CG1 4.33Å; L176-N243 HydrophobicContact CD2-CB 4.28Å |
| 177 | S | 89.4 | Confident | 83.4 | Confident | 57 Ų | 57 | 72.6 Ų | 72.6 | 40% | 0.399 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.2 | 175.1 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | V241 A242 | S177-V241 CarbonylContact O-C 3.6Å; S177-V241 VanDerWaalsContact O-CA 3.25Å; S177-V241 WeakPolarHBondContact O-CA 3.35Å; S177-A242 PolarHBondContact N-O 3.32Å; S177-A242 PolarHBondContact O-N 2.75Å; S177-A242 PolarHBondContact OG-O 2.85Å |
| 178 | Y | 89.1 | Confident | 81.6 | Confident | 45 Ų | 45 | 81 Ų | 81 | 18% | 0.176 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.1 | -176.2 | -67.9 | -105.9 | 0 | 0 | 0 | 110.1 | C167 A169 L176 G222 T240 V241 | C167-Y178 HydrophobicContact CB-CD1 4.34Å; C167-Y178 WeakPolarHBondContact O-CE1 3.46Å; A169-Y178 PolarHBondContact N-OH 3.12Å; L176-Y178 HydrophobicContact CB-CE2 3.86Å; Y178-G222 VanDerWaalsContact CB-CA 3.43Å; Y178-T240 CarbonylContact C-O 3.51Å; Y178-T240 WeakPolarHBondContact CA-O 3.37Å; Y178-V241 HydrophobicContact CD1-CB 4.39Å; Y178-V241 HydrophobicContact CD1-CG1 4.25Å; Y178-V241 HydrophobicContact CD1-CG2 3.4Å; Y178-V241 VanDerWaalsContact CD1-CG2 3.4Å; Y178-V241 HydrophobicContact CD2-CG1 4.45Å; Y178-V241 HydrophobicContact CE1-CB 4.28Å; Y178-V241 HydrophobicContact CE1-CG1 3.9Å; Y178-V241 HydrophobicContact CE1-CG2 3.35Å; Y178-V241 HydrophobicContact CE2-CG1 4.12Å; Y178-V241 HydrophobicContact CG-CG1 4.49Å; Y178-V241 HydrophobicContact CG-CG2 4.21Å |
| 179 | K | 88 | Confident | 79.7 | Confident | 141 Ų | 141 | 76.7 Ų | 76.7 | 61% | 0.613 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 135.8 | 178.6 | -66.4 | -176.4 | -179.9 | 179.2 | 0 | 110.8 | C239 T240 | K179-C239 CarbonylContact O-C 3.54Å; K179-C239 WeakPolarHBondContact O-CA 3.31Å; K179-T240 PolarHBondContact N-O 2.94Å; K179-T240 PolarHBondContact O-N 3.38Å |
| 180 | W | 88.8 | Confident | 77.6 | Confident | 42 Ų | 42 | 86.7 Ų | 86.7 | 16% | 0.159 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 145.4 | 175.5 | -76.4 | 95.3 | 0 | 0 | 0 | 112 | C151 L165 C167 G222 L224 Q238 C239 V252 | C151-W180 HydrophobicContact CB-CH2 4.39Å; L165-W180 HydrophobicContact CB-CH2 3.71Å; L165-W180 HydrophobicContact CB-CZ2 3.72Å; L165-W180 HydrophobicContact CB-CZ3 4.23Å; L165-W180 HydrophobicContact CD1-CE3 4.31Å; L165-W180 HydrophobicContact CD1-CH2 4.45Å; L165-W180 HydrophobicContact CD1-CZ3 4.14Å; C167-W180 HydrophobicContact CB-CH2 4.2Å; C167-W180 HydrophobicContact CB-CZ2 3.46Å; C167-W180 VanDerWaalsContact CB-CZ2 3.46Å; W180-G222 PolarHBondContact NE1-O 3.37Å; W180-L224 HydrophobicContact CB-CB 4.42Å; W180-L224 HydrophobicContact CB-CD1 3.76Å; W180-L224 HydrophobicContact CB-CD2 3.87Å; W180-L224 HydrophobicContact CB-CG 4.24Å; W180-L224 HydrophobicContact CD2-CB 4.06Å; W180-L224 HydrophobicContact CD2-CD2 4.28Å; W180-L224 HydrophobicContact CG-CB 3.82Å; W180-L224 HydrophobicContact CG-CD1 3.99Å; W180-L224 HydrophobicContact CG-CD2 4.02Å; W180-L224 HydrophobicContact CG-CG 4.17Å; W180-Q238 CarbonylContact C-O 3.59Å; W180-Q238 WeakPolarHBondContact CA-O 3.33Å; W180-Q238 VanDerWaalsContact CE3-C 3.44Å; W180-C239 HydrophobicContact CD2-CB 3.72Å; W180-C239 HydrophobicContact CE3-CB 3.72Å; W180-C239 HydrophobicContact CG-CB 4.49Å; W180-C239 HydrophobicContact CH2-CB 3.7Å; W180-C239 HydrophobicContact CZ2-CB 3.71Å; W180-C239 HydrophobicContact CZ3-CB 3.69Å; W180-V252 HydrophobicContact CH2-CG2 4.03Å; W180-V252 HydrophobicContact CZ3-CG2 3.87Å |
| 181 | A | 85.7 | Confident | 75.4 | Confident | 42 Ų | 42 | 92.4 Ų | 92.4 | 35% | 0.347 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 139.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y237 Q238 | A181-Y237 CarbonylContact O-C 3.59Å; A181-Y237 WeakPolarHBondContact O-CA 3.49Å; A181-Q238 PolarHBondContact N-O 2.9Å; A181-Q238 PolarHBondContact O-N 2.79Å |
| 182 | K | 87.3 | Confident | 73.3 | Confident | 82 Ų | 82 | 94 Ų | 94 | 36% | 0.357 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126.8 | 167.8 | -172.9 | 176.7 | -178.2 | 161.7 | 0 | 108.5 | S184 A232 D233 D234 Y237 | K182-S184 PolarHBondContact O-N 3.2Å; K182-A232 PolarHBondContact NZ-O 3Å; K182-D233 VanDerWaalsContact NZ-CA 3.27Å; K182-D233 PolarHBondContact NZ-O 2.89Å; K182-D234 VanDerWaalsContact CE-O 3.31Å; K182-D234 WeakPolarHBondContact CE-O 3.47Å; K182-D234 PolarHBondContact NZ-O 3.41Å; K182-Y237 HydrophobicContact CB-CD1 4.09Å; K182-Y237 HydrophobicContact CB-CE1 3.9Å; K182-Y237 HydrophobicContact CD-CE1 4.16Å; K182-Y237 HydrophobicContact CD-CE2 4.2Å; K182-Y237 HydrophobicContact CG-CD1 4.39Å; K182-Y237 HydrophobicContact CG-CE1 4.05Å; K182-Y237 HydrophobicContact CG-CE2 4.16Å |
| 183 | I | 84.2 | Confident | 70.7 | Confident | 35 Ų | 35 | 95.9 Ų | 95.9 | 18% | 0.179 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 119 | 179 | -60.9 | 154.9 | 0 | 0 | 0 | 108.1 | H187 P189 L236 Q238 V251 | I183-H187 WeakPolarHBondContact CG2-O 3.32Å; I183-P189 HydrophobicContact CD1-CG 3.69Å; I183-L236 HydrophobicContact CB-CB 4.23Å; I183-L236 WeakPolarHBondContact CB-O 3.43Å; I183-L236 HydrophobicContact CD1-CB 3.65Å; I183-L236 HydrophobicContact CG1-CB 4.48Å; I183-L236 PolarHBondContact N-O 3.35Å; I183-Q238 HydrophobicContact CD1-CB 4.02Å; I183-Q238 HydrophobicContact CG1-CB 4.17Å; I183-V251 HydrophobicContact CD1-CG1 4.01Å; I183-V251 HydrophobicContact CD1-CG2 4.33Å |
| 184 | S | 70.3 | Confident | 68.1 | Low | 103 Ų | 103 | 99.1 Ų | 99.1 | 72% | 0.72 | 53% | 0.526 | S | S | * | . | trans | -112.8 | 131.3 | 177.6 | 54.5 | 0 | 0 | 0 | 0 | 110.9 | K182 | K182-S184 PolarHBondContact O-N 3.2Š| ||
| 185 | G | 58.4 | Low | 65.9 | Low | 65 Ų | 65 | 101.1 Ų | 101.1 | 67% | 0.67 | 53% | 0.529 | S | S | * | . | S | Bend | trans | 75.9 | 178.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | H187 | G185-H187 PolarHBondContact O-N 2.79Š|
| 186 | H | 50.3 | Low | 63.4 | Low | 182 Ų | 182 | 103.4 Ų | 103.4 | 84% | 0.843 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -57.4 | 13.6 | -171.9 | -76.7 | -79.5 | 0 | 0 | 0 | 117.3 | Y188 | H186-Y188 PolarHBondContact O-N 3.28Š|
| 187 | H | 52.5 | Low | 61.3 | Low | 152 Ų | 152 | 106.5 Ų | 106.5 | 70% | 0.704 | 57% | 0.565 | S | S | * | * | trans | -92 | 84.6 | -178.8 | -65.8 | -118.7 | 0 | 0 | 0 | 108.4 | I183 G185 | I183-H187 WeakPolarHBondContact CG2-O 3.32Å; G185-H187 PolarHBondContact O-N 2.79Å | ||
| 188 | Y | 52.3 | Low | 58.8 | Low | 182 Ų | 182 | 109.4 Ų | 109.4 | 71% | 0.714 | 57% | 0.572 | S | S | * | * | trans | -65.1 | 130.1 | 167.8 | -69.4 | -82 | 0 | 0 | 0 | 108.8 | H186 Y190 | H186-Y188 PolarHBondContact O-N 3.28Å; Y188-Y190 PolarHBondContact O-N 3.24Å | ||
| 189 | P | 50.4 | Low | 56.4 | Low | 36 Ų | 36 | 116.9 Ų | 116.9 | 23% | 0.234 | 61% | 0.609 | C | S | . | * | trans | -64.3 | 124.6 | 172.8 | 28.8 | -35.3 | 0 | 0 | 0 | 108.6 | I183 R191 V251 | I183-P189 HydrophobicContact CD1-CG 3.69Å; P189-R191 PolarHBondContact O-N 3.34Å; P189-V251 HydrophobicContact CB-CG2 4.4Å; P189-V251 HydrophobicContact CG-CG2 3.57Å | ||
| 190 | Y | 47.9 | Very low | 54.1 | Low | 213 Ų | 213 | 114.2 Ų | 114.2 | 84% | 0.835 | 61% | 0.608 | S | S | * | * | trans | -53.6 | 114.9 | 174.6 | -69.5 | -85.6 | 0 | 0 | 0 | 108.4 | Y188 A192 | Y188-Y190 PolarHBondContact O-N 3.24Å; Y190-A192 PolarHBondContact O-N 3.18Å | ||
| 191 | R | 42.5 | Very low | 51.4 | Low | 231 Ų | 231 | 121.7 Ų | 121.7 | 87% | 0.872 | 64% | 0.637 | S | S | * | * | trans | -52.1 | 129.7 | 177.7 | 175.2 | -179.3 | -101.2 | -161.7 | -6.5 | 109.2 | P189 G193 | P189-R191 PolarHBondContact O-N 3.34Å; R191-G193 PolarHBondContact O-N 3.35Å | ||
| 192 | A | 46.3 | Very low | 49 | Very low | 59 Ų | 59 | 127.9 Ų | 127.9 | 49% | 0.488 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.8 | 60.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V148 Y190 V249 | V148-A192 HydrophobicContact CG2-CB 4.43Å; Y190-A192 PolarHBondContact O-N 3.18Å; A192-V249 HydrophobicContact CB-CG2 4.39Å |
| 193 | G | 36.9 | Very low | 46.7 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.7 | 5.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R191 | R191-G193 PolarHBondContact O-N 3.35Š|
| 194 | S | 38.8 | Very low | 44.7 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 66% | 0.657 | 71% | 0.707 | S | S | * | * | trans | -139.1 | 47.4 | -177.3 | 76.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 195 | Y | 43.9 | Very low | 43.3 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 69% | 0.694 | 71% | 0.709 | S | S | * | * | trans | -117.3 | 61 | 170.2 | -139.9 | -91.2 | 0 | 0 | 0 | 111.7 | Q198 | Y195-Q198 PolarHBondContact OH-O 3.06Å; Y195-Q198 VanDerWaalsContact OH-O 3.08Å | ||
| 196 | T | 39.9 | Very low | 41.9 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -99.6 | 111.8 | 153.3 | 12.2 | 0 | 0 | 0 | 0 | 106.9 | ||
| 197 | S | 44.1 | Very low | 41.3 | Very low | 91 Ų | 91 | 140 Ų | 140 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | 79.4 | 107.5 | -177.6 | 96 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 198 | Q | 38.1 | Very low | 40.1 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 55% | 0.551 | 71% | 0.709 | S | S | * | * | -178.3 | 115.7 | 97 | -92.5 | 168.1 | -2.2 | 0 | 0 | 109.5 | Y195 S200 | Y195-Q198 PolarHBondContact OH-O 3.06Å; Y195-Q198 VanDerWaalsContact OH-O 3.08Å; Q198-S200 VanDerWaalsContact C-N 3.32Å; Q198-S200 PolarHBondContact O-N 2.85Å; Q198-S200 VanDerWaalsContact O-N 3.09Å | |||
| 199 | H | 38.6 | Very low | 39.4 | Very low | 203 Ų | 203 | 140.7 Ų | 140.7 | 94% | 0.94 | 72% | 0.718 | S | S | * | * | trans | -61.1 | 92.7 | 153.2 | -87.9 | -110.6 | 0 | 0 | 0 | 107.6 | ||||
| 200 | S | 38.4 | Very low | 38.6 | Very low | 85 Ų | 85 | 142 Ų | 142 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | trans | 159.5 | 70 | 155.8 | 57.2 | 0 | 0 | 0 | 0 | 111.4 | Q198 | Q198-S200 VanDerWaalsContact C-N 3.32Å; Q198-S200 PolarHBondContact O-N 2.85Å; Q198-S200 VanDerWaalsContact O-N 3.09Å | ||
| 201 | Y | 32.5 | Very low | 38 | Very low | 198 Ų | 198 | 141.8 Ų | 141.8 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -143.5 | 104.1 | 152.4 | -89.4 | -79 | 0 | 0 | 0 | 108.1 | S203 | Y201-S203 PolarHBondContact O-N 2.95Å; Y201-S203 VanDerWaalsContact O-N 3.13Å | ||
| 202 | H | 34.5 | Very low | 37.8 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 80% | 0.801 | 73% | 0.726 | S | S | * | * | trans | -64.2 | 108.1 | 161.2 | -153.9 | -121.2 | 0 | 0 | 0 | 105.3 | E204 | H202-E204 PolarHBondContact O-N 2.72Š| ||
| 203 | S | 40.6 | Very low | 37.3 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | -72 | 72.5 | 174.6 | 170.7 | 0 | 0 | 0 | 0 | 108.7 | Y201 L205 | Y201-S203 PolarHBondContact O-N 2.95Å; Y201-S203 VanDerWaalsContact O-N 3.13Å; S203-L205 PolarHBondContact O-N 3.17Å | ||
| 204 | E | 40.8 | Very low | 37.3 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 77% | 0.771 | 74% | 0.74 | S | S | * | * | trans | -69.3 | 90.4 | 154.2 | -80.6 | -169.7 | 162.7 | 0 | 0 | 107.1 | H202 | H202-E204 PolarHBondContact O-N 2.72Š| ||
| 205 | L | 41.4 | Very low | 37.6 | Very low | 145 Ų | 145 | 142.3 Ų | 142.3 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | trans | -155.7 | 101.1 | 147.5 | -100.1 | 167.4 | 0 | 0 | 0 | 105.9 | S203 Y207 | S203-L205 PolarHBondContact O-N 3.17Å; L205-Y207 PolarHBondContact O-N 3.05Å | ||
| 206 | S | 30.3 | Very low | 37.5 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | -25.6 | 102.1 | 161.1 | 47.9 | 0 | 0 | 0 | 0 | 111.2 | Q208 | S206-Q208 VanDerWaalsContact C-N 3.27Å; S206-Q208 PolarHBondContact O-N 3.06Å | ||
| 207 | Y | 35.9 | Very low | 37.7 | Very low | 197 Ų | 197 | 141.4 Ų | 141.4 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | -53.1 | 98.2 | 161.1 | -158.8 | -92.6 | 0 | 0 | 0 | 105.8 | L205 E209 | L205-Y207 PolarHBondContact O-N 3.05Å; Y207-E209 VanDerWaalsContact C-N 3.33Å; Y207-E209 PolarHBondContact O-N 2.83Å | ||
| 208 | Q | 28 | Very low | 37.6 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | trans | -66.7 | 103.8 | 177.8 | -146.2 | 167.4 | -53.3 | 0 | 0 | 105.8 | S206 S210 | S206-Q208 VanDerWaalsContact C-N 3.27Å; S206-Q208 PolarHBondContact O-N 3.06Å; Q208-S210 WeakPolarHBondContact CG-OG 3.4Å; Q208-S210 PolarHBondContact O-N 2.85Å | ||
| 209 | E | 38.5 | Very low | 38.1 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 90% | 0.902 | 72% | 0.722 | S | S | * | * | trans | -61.4 | 52 | 170.8 | -70.6 | -168.5 | 135.2 | 0 | 0 | 111.2 | Y207 | Y207-E209 VanDerWaalsContact C-N 3.33Å; Y207-E209 PolarHBondContact O-N 2.83Å | ||
| 210 | S | 33.3 | Very low | 38.9 | Very low | 62 Ų | 62 | 136 Ų | 136 | 43% | 0.434 | 70% | 0.704 | S | S | . | * | trans | -145.4 | 61.9 | -175.2 | 68.8 | 0 | 0 | 0 | 0 | 110.4 | Q208 | Q208-S210 WeakPolarHBondContact CG-OG 3.4Å; Q208-S210 PolarHBondContact O-N 2.85Å | ||
| 211 | F | 35.8 | Very low | 39.9 | Very low | 210 Ų | 210 | 139 Ų | 139 | 92% | 0.921 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -142.8 | 121.2 | 133.9 | -122.2 | -87.7 | 0 | 0 | 0 | 107.8 | S213 | F211-S213 PolarHBondContact O-N 2.82Š|
| 212 | H | 36.7 | Very low | 41.7 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | trans | -45.8 | 123 | -165.7 | -65.8 | 172.5 | 0 | 0 | 0 | 112.6 | S214 | H212-S214 PolarHBondContact O-N 2.79Š| ||
| 213 | S | 36.5 | Very low | 44.2 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 88% | 0.881 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -55.1 | 81.2 | 156 | 53.1 | 0 | 0 | 0 | 0 | 109.5 | F211 | F211-S213 PolarHBondContact O-N 2.82Š|
| 214 | S | 37.8 | Very low | 46.6 | Very low | 90 Ų | 90 | 118.5 Ų | 118.5 | 63% | 0.629 | 62% | 0.617 | S | S | * | * | trans | -149 | 52.8 | 164.9 | 69.2 | 0 | 0 | 0 | 0 | 108.7 | H212 | H212-S214 PolarHBondContact O-N 2.79Š| ||
| 215 | I | 44.2 | Very low | 48.9 | Very low | 86 Ų | 86 | 112.4 Ų | 112.4 | 44% | 0.441 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -110.5 | 108 | 163.3 | -46.5 | 175.9 | 0 | 0 | 0 | 106.2 | Q217 L224 | I215-Q217 PolarHBondContact O-N 3.45Å; I215-Q217 VanDerWaalsContact O-N 3.11Å; I215-L224 HydrophobicContact CB-CD1 3.74Å; I215-L224 HydrophobicContact CD1-CD1 4.02Å; I215-L224 HydrophobicContact CD1-CD2 4.36Å; I215-L224 HydrophobicContact CG1-CD1 4.48Å; I215-L224 HydrophobicContact CG2-CD1 3.18Å; I215-L224 HydrophobicContact CG2-CG 3.71Å |
| 216 | N | 41.3 | Very low | 51.3 | Low | 101 Ų | 101 | 106.2 Ų | 106.2 | 54% | 0.54 | 56% | 0.559 | S | S | . | * | trans | -45.8 | 119.2 | -175.6 | -65 | -61.4 | 0 | 0 | 0 | 109.3 | G218 | N216-G218 PolarHBondContact O-N 3.16Š| ||
| 217 | Q | 44.4 | Very low | 54.2 | Low | 193 Ų | 193 | 107.5 Ų | 107.5 | 90% | 0.902 | 55% | 0.552 | S | S | * | * | B | Isolated β-bridge | trans | -50.5 | 110.1 | 172.9 | -67.3 | 173.5 | -4.9 | 0 | 0 | 107.6 | I215 | I215-Q217 PolarHBondContact O-N 3.45Å; I215-Q217 VanDerWaalsContact O-N 3.11Å |
| 218 | G | 41.1 | Very low | 56.7 | Low | 21 Ų | 21 | 103.2 Ų | 103.2 | 22% | 0.216 | 54% | 0.542 | C | S | . | . | trans | -58.9 | 144.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | N216 N220 | N216-G218 PolarHBondContact O-N 3.16Å; G218-N220 PolarHBondContact O-N 3.01Å | ||
| 219 | L | 50.6 | Low | 59.7 | Low | 171 Ų | 171 | 95.8 Ų | 95.8 | 90% | 0.895 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -57.7 | -6.3 | -172.5 | -154.9 | 69 | 0 | 0 | 0 | 114.6 | ||
| 220 | N | 53.4 | Low | 62.2 | Low | 107 Ų | 107 | 88.1 Ų | 88.1 | 57% | 0.572 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -142.4 | 145.2 | 179.7 | -66.1 | -53.5 | 0 | 0 | 0 | 111.4 | G218 G222 D223 | G218-N220 PolarHBondContact O-N 3.01Å; N220-G222 VanDerWaalsContact C-N 3.34Å; N220-G222 PolarHBondContact O-N 3.48Å; N220-D223 PolarHBondContact O-N 3.2Å |
| 221 | N | 60.9 | Low | 64.8 | Low | 146 Ų | 146 | 89.9 Ų | 89.9 | 78% | 0.781 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -39.9 | 76.5 | -177.2 | -54.3 | -19.7 | 0 | 0 | 0 | 115.7 | ||
| 222 | G | 70.1 | Confident | 67.2 | Low | 12 Ų | 12 | 83.7 Ų | 83.7 | 12% | 0.124 | 46% | 0.46 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 125.8 | 7.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | Y178 W180 N220 | Y178-G222 VanDerWaalsContact CB-CA 3.43Å; W180-G222 PolarHBondContact NE1-O 3.37Å; N220-G222 VanDerWaalsContact C-N 3.34Å; N220-G222 PolarHBondContact O-N 3.48Å |
| 223 | D | 87.5 | Confident | 69.7 | Low | 29 Ų | 29 | 78 Ų | 78 | 16% | 0.155 | 44% | 0.435 | C | S | . | . | trans | -88.9 | 141.7 | -180 | -66.3 | -11.2 | 0 | 0 | 0 | 113.3 | V164 L165 K166 N220 | V164-D223 HydrophobicContact CG1-CB 4.12Å; L165-D223 WeakPolarHBondContact O-CA 3.27Å; K166-D223 HydrophobicContact CD-CB 4.43Å; K166-D223 WeakPolarHBondContact CD-OD1 3Å; K166-D223 WeakPolarHBondContact CD-OD2 2.97Å; K166-D223 IonicContact NZ-OD1 2.65Å; K166-D223 IonicContact NZ-OD2 3.74Å; K166-D223 PolarHBondContact NZ-OD2 2.86Å; N220-D223 PolarHBondContact O-N 3.2Å | ||
| 224 | L | 89.1 | Confident | 72.2 | Confident | 12 Ų | 12 | 74.6 Ų | 74.6 | 6% | 0.063 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 123.4 | 172.4 | -162.2 | 71.7 | 0 | 0 | 0 | 110.8 | V164 L165 W180 I215 L226 Y237 | V164-L224 CarbonylContact C-O 3.6Å; V164-L224 WeakPolarHBondContact CA-O 3.01Å; L165-L224 HydrophobicContact CB-CB 4.02Å; L165-L224 HydrophobicContact CD1-CB 4.35Å; L165-L224 HydrophobicContact CD1-CD2 3.73Å; L165-L224 HydrophobicContact CG-CB 4.26Å; L165-L224 HydrophobicContact CG-CD2 4.42Å; L165-L224 PolarHBondContact N-O 3.43Å; L165-L224 PolarHBondContact O-N 3.14Å; W180-L224 HydrophobicContact CB-CB 4.42Å; W180-L224 HydrophobicContact CB-CD1 3.76Å; W180-L224 HydrophobicContact CB-CD2 3.87Å; W180-L224 HydrophobicContact CB-CG 4.24Å; W180-L224 HydrophobicContact CD2-CB 4.06Å; W180-L224 HydrophobicContact CD2-CD2 4.28Å; W180-L224 HydrophobicContact CG-CB 3.82Å; W180-L224 HydrophobicContact CG-CD1 3.99Å; W180-L224 HydrophobicContact CG-CD2 4.02Å; W180-L224 HydrophobicContact CG-CG 4.17Å; I215-L224 HydrophobicContact CB-CD1 3.74Å; I215-L224 HydrophobicContact CD1-CD1 4.02Å; I215-L224 HydrophobicContact CD1-CD2 4.36Å; I215-L224 HydrophobicContact CG1-CD1 4.48Å; I215-L224 HydrophobicContact CG2-CD1 3.18Å; I215-L224 HydrophobicContact CG2-CG 3.71Å; L224-L226 HydrophobicContact CD2-CD2 4.01Å; L224-L226 HydrophobicContact CG-CD2 4.45Å; L224-Y237 HydrophobicContact CD2-CD1 3.96Å; L224-Y237 HydrophobicContact CD2-CE1 4.29Å |
| 225 | V | 90.8 | Very high | 74.6 | Confident | 36 Ų | 36 | 71.5 Ų | 71.5 | 22% | 0.218 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 116.4 | 175.1 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | V164 K227 | V164-V225 HydrophobicContact CG1-CG2 4.43Å; V164-V225 HydrophobicContact CG2-CG2 4.24Å; V225-K227 HydrophobicContact CG1-CG 4.05Å |
| 226 | L | 90.9 | Very high | 76.8 | Confident | 16 Ų | 16 | 70 Ų | 70 | 8% | 0.084 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 120.7 | 168 | -56.7 | -179 | 0 | 0 | 0 | 107.9 | D162 V163 L165 L224 I229 Y237 V254 | D162-L226 CarbonylContact C-O 3.57Å; D162-L226 WeakPolarHBondContact CA-O 3.05Å; V163-L226 PolarHBondContact N-O 3.33Å; V163-L226 PolarHBondContact O-N 2.82Å; L165-L226 HydrophobicContact CD1-CD1 4.2Å; L165-L226 HydrophobicContact CD2-CD1 4.29Å; L165-L226 HydrophobicContact CG-CD1 4.33Å; L165-L226 HydrophobicContact CG-CG 4.49Å; L224-L226 HydrophobicContact CD2-CD2 4.01Å; L224-L226 HydrophobicContact CG-CD2 4.45Å; L226-I229 HydrophobicContact CB-CG2 3.67Å; L226-Y237 HydrophobicContact CD1-CE1 4.04Å; L226-Y237 HydrophobicContact CD1-CE2 4.37Å; L226-Y237 HydrophobicContact CD2-CE1 3.96Å; L226-V254 HydrophobicContact CD1-CG1 4.43Å; L226-V254 HydrophobicContact CD1-CG2 4.21Å |
| 227 | K | 90.9 | Very high | 79.1 | Confident | 129 Ų | 129 | 65.5 Ų | 65.5 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -103.7 | 146.4 | -179.4 | -64.8 | -172.6 | 175.7 | -176.6 | 0 | 110.8 | D162 V225 I229 | D162-K227 WeakPolarHBondContact OD1-CA 3.48Å; V225-K227 HydrophobicContact CG1-CG 4.05Å; K227-I229 VanDerWaalsContact C-N 3.33Å; K227-I229 PolarHBondContact O-N 2.89Å |
| 228 | D | 89.3 | Confident | 81.2 | Confident | 107 Ų | 107 | 58.2 Ų | 58.2 | 57% | 0.572 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 47.3 | 55.1 | 175.7 | -169.6 | 14.5 | 0 | 0 | 0 | 112.1 | G160 N161 D162 | G160-D228 VanDerWaalsContact CA-OD1 3.28Å; G160-D228 WeakPolarHBondContact CA-OD1 3.43Å; N161-D228 PolarHBondContact O-N 2.83Å; D162-D228 PolarHBondContact OD1-N 2.87Å |
| 229 | I | 90.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -63.7 | 143.9 | -169.6 | 65.7 | -178.2 | 0 | 0 | 0 | 112.1 | T158 H159 G160 N161 V163 L226 K227 V256 | T158-I229 WeakPolarHBondContact O-CG1 3.47Å; H159-I229 CarbonylContact C-O 3.55Å; H159-I229 VanDerWaalsContact CA-O 3.29Å; H159-I229 WeakPolarHBondContact CA-O 3.19Å; G160-I229 PolarHBondContact N-O 2.76Å; N161-I229 WeakPolarHBondContact O-CG1 3.45Å; N161-I229 PolarHBondContact O-N 2.8Å; V163-I229 HydrophobicContact CB-CD1 4.44Å; V163-I229 HydrophobicContact CG2-CD1 3.61Å; L226-I229 HydrophobicContact CB-CG2 3.67Å; K227-I229 VanDerWaalsContact C-N 3.33Å; K227-I229 PolarHBondContact O-N 2.89Å; I229-V256 HydrophobicContact CB-CG2 4.09Å; I229-V256 HydrophobicContact CD1-CG1 4.16Å; I229-V256 HydrophobicContact CD1-CG2 3.97Å; I229-V256 HydrophobicContact CG1-CG1 3.95Å; I229-V256 HydrophobicContact CG1-CG2 4.06Å | ||
| 230 | S | 90.6 | Very high | 85.4 | Confident | 33 Ų | 33 | 50.7 Ų | 50.7 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | trans | -132.4 | 174.9 | -178.6 | 76.4 | 0 | 0 | 0 | 0 | 111.5 | A232 D233 V256 | S230-A232 PolarHBondContact O-N 2.86Å; S230-A232 PolarHBondContact OG-N 2.89Å; S230-D233 PolarHBondContact N-OD2 3.49Å; S230-D233 WeakPolarHBondContact O-CB 3.47Å; S230-D233 PolarHBondContact O-N 1.97Å; S230-D233 PolarHBondContact OG-OD2 2.86Å; S230-V256 WeakPolarHBondContact O-CG2 3.31Å | ||
| 231 | R | 87.6 | Confident | 87.1 | Confident | 99 Ų | 99 | 45.6 Ų | 45.6 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -63.5 | -20 | 173.9 | -72.4 | 178.9 | -176.8 | -92.5 | -8.4 | 113.9 | D233 D234 D258 | R231-D233 PolarHBondContact O-N 2.04Å; R231-D234 WeakPolarHBondContact O-CB 3.46Å; R231-D234 PolarHBondContact O-N 3.17Å; R231-D258 IonicContact NE-OD2 3.31Å; R231-D258 IonicContact NH2-OD2 2.71Å |
| 232 | A | 87.1 | Confident | 88.5 | Confident | 80 Ų | 80 | 39.8 Ų | 39.8 | 66% | 0.661 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -70.1 | -20.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | K182 S230 D234 | K182-A232 PolarHBondContact NZ-O 3Å; S230-A232 PolarHBondContact O-N 2.86Å; S230-A232 PolarHBondContact OG-N 2.89Å; A232-D234 VanDerWaalsContact C-N 3.31Å |
| 233 | D | 89.2 | Confident | 89.5 | Confident | 43 Ų | 43 | 40.1 Ų | 40.1 | 23% | 0.23 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -82.1 | -10.4 | 176.9 | -57 | -62.6 | 0 | 0 | 0 | 112.7 | K182 S230 R231 G235 Y237 | K182-D233 VanDerWaalsContact NZ-CA 3.27Å; K182-D233 PolarHBondContact NZ-O 2.89Å; S230-D233 PolarHBondContact N-OD2 3.49Å; S230-D233 WeakPolarHBondContact O-CB 3.47Å; S230-D233 PolarHBondContact O-N 1.97Å; S230-D233 PolarHBondContact OG-OD2 2.86Å; R231-D233 PolarHBondContact O-N 2.04Å; D233-G235 PolarHBondContact O-N 3.19Å; D233-Y237 WeakPolarHBondContact O-CE2 3.03Å; D233-Y237 PolarHBondContact O-OH 2.93Å |
| 234 | D | 88.8 | Confident | 89.7 | Confident | 56 Ų | 56 | 42.6 Ų | 42.6 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | trans | -53.2 | 133.8 | 172.1 | -70.5 | -6.5 | 0 | 0 | 0 | 110.5 | K182 R231 A232 V254 V256 | K182-D234 VanDerWaalsContact CE-O 3.31Å; K182-D234 WeakPolarHBondContact CE-O 3.47Å; K182-D234 PolarHBondContact NZ-O 3.41Å; R231-D234 WeakPolarHBondContact O-CB 3.46Å; R231-D234 PolarHBondContact O-N 3.17Å; A232-D234 VanDerWaalsContact C-N 3.31Å; D234-V254 WeakPolarHBondContact CA-O 3.47Å; D234-V256 WeakPolarHBondContact OD1-CB 3.34Å; D234-V256 WeakPolarHBondContact OD1-CG2 3.38Å; D234-V256 PolarHBondContact OD1-N 2.92Å | ||
| 235 | G | 89.1 | Confident | 89.8 | Confident | 24 Ų | 24 | 43 Ų | 43 | 25% | 0.247 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.5 | -177 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D233 V254 | D233-G235 PolarHBondContact O-N 3.19Å; G235-V254 PolarHBondContact N-O 3.01Å; G235-V254 PolarHBondContact O-N 2.74Å |
| 236 | L | 88.6 | Confident | 89.7 | Confident | 54 Ų | 54 | 41.9 Ų | 41.9 | 28% | 0.283 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 134.4 | 177 | -62.3 | 175.3 | 0 | 0 | 0 | 109.8 | I183 V251 V252 E253 | I183-L236 HydrophobicContact CB-CB 4.23Å; I183-L236 WeakPolarHBondContact CB-O 3.43Å; I183-L236 HydrophobicContact CD1-CB 3.65Å; I183-L236 HydrophobicContact CG1-CB 4.48Å; I183-L236 PolarHBondContact N-O 3.35Å; L236-V251 HydrophobicContact CB-CG1 3.86Å; L236-V251 HydrophobicContact CD2-CG1 4.08Å; L236-V251 HydrophobicContact CG-CG1 4.38Å; L236-V252 WeakPolarHBondContact CA-O 3.39Å; L236-E253 HydrophobicContact CD2-CB 3.67Å; L236-E253 HydrophobicContact CD2-CG 3.88Å |
| 237 | Y | 89.5 | Confident | 89.6 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.9 | 177.5 | -70.4 | -107.1 | 0 | 0 | 0 | 108.8 | L165 A181 K182 L224 L226 D233 V251 V252 V254 | L165-Y237 HydrophobicContact CD1-CD1 3.64Å; L165-Y237 HydrophobicContact CD1-CD2 4.26Å; L165-Y237 HydrophobicContact CD1-CE1 4.33Å; L165-Y237 HydrophobicContact CD1-CG 3.59Å; A181-Y237 CarbonylContact O-C 3.59Å; A181-Y237 WeakPolarHBondContact O-CA 3.49Å; K182-Y237 HydrophobicContact CB-CD1 4.09Å; K182-Y237 HydrophobicContact CB-CE1 3.9Å; K182-Y237 HydrophobicContact CD-CE1 4.16Å; K182-Y237 HydrophobicContact CD-CE2 4.2Å; K182-Y237 HydrophobicContact CG-CD1 4.39Å; K182-Y237 HydrophobicContact CG-CE1 4.05Å; K182-Y237 HydrophobicContact CG-CE2 4.16Å; L224-Y237 HydrophobicContact CD2-CD1 3.96Å; L224-Y237 HydrophobicContact CD2-CE1 4.29Å; L226-Y237 HydrophobicContact CD1-CE1 4.04Å; L226-Y237 HydrophobicContact CD1-CE2 4.37Å; L226-Y237 HydrophobicContact CD2-CE1 3.96Å; D233-Y237 WeakPolarHBondContact O-CE2 3.03Å; D233-Y237 PolarHBondContact O-OH 2.93Å; Y237-V251 CarbonylContact O-C 3.58Å; Y237-V251 VanDerWaalsContact O-CA 3.3Å; Y237-V251 WeakPolarHBondContact O-CA 3.27Å; Y237-V252 PolarHBondContact N-O 3.23Å; Y237-V252 PolarHBondContact O-N 2.8Å; Y237-V254 HydrophobicContact CD2-CB 4Å; Y237-V254 HydrophobicContact CD2-CG2 3.48Å; Y237-V254 VanDerWaalsContact CD2-CG2 3.48Å; Y237-V254 HydrophobicContact CE2-CB 3.72Å; Y237-V254 HydrophobicContact CE2-CG1 4.45Å; Y237-V254 HydrophobicContact CE2-CG2 3.55Å; Y237-V254 HydrophobicContact CG-CG2 4.37Å |
| 238 | Q | 89.3 | Confident | 89.4 | Confident | 41 Ų | 41 | 43.7 Ų | 43.7 | 19% | 0.192 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 128.4 | 177.4 | -179.6 | 175.9 | -61.7 | 0 | 0 | 110.3 | W180 A181 I183 T240 V249 C250 | W180-Q238 CarbonylContact C-O 3.59Å; W180-Q238 WeakPolarHBondContact CA-O 3.33Å; W180-Q238 VanDerWaalsContact CE3-C 3.44Å; A181-Q238 PolarHBondContact N-O 2.9Å; A181-Q238 PolarHBondContact O-N 2.79Å; I183-Q238 HydrophobicContact CD1-CB 4.02Å; I183-Q238 HydrophobicContact CG1-CB 4.17Å; Q238-T240 PolarHBondContact NE2-OG1 3.35Å; Q238-V249 HydrophobicContact CG-CB 4.13Å; Q238-V249 HydrophobicContact CG-CG1 4.32Å; Q238-C250 VanDerWaalsContact CA-O 3.31Å; Q238-C250 WeakPolarHBondContact CA-O 3.2Å |
| 239 | C | 90.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 135 | 161.4 | 173.4 | 0 | 0 | 0 | 0 | 109.2 | C167 K179 W180 V249 C250 | C167-C239 HydrophobicContact CB-CB 3.56Å; C167-C239 WeakPolarHBondContact CB-SG 3.46Å; C167-C239 WeakPolarHBondContact SG-CB 3.42Å; C167-C239 CovalentContact SG-SG 2.04Å; C167-C239 PolarHBondContact SG-SG 3.03Å; K179-C239 CarbonylContact O-C 3.54Å; K179-C239 WeakPolarHBondContact O-CA 3.31Å; W180-C239 HydrophobicContact CD2-CB 3.72Å; W180-C239 HydrophobicContact CE3-CB 3.72Å; W180-C239 HydrophobicContact CG-CB 4.49Å; W180-C239 HydrophobicContact CH2-CB 3.7Å; W180-C239 HydrophobicContact CZ2-CB 3.71Å; W180-C239 HydrophobicContact CZ3-CB 3.69Å; C239-V249 VanDerWaalsContact O-CA 3.24Å; C239-V249 WeakPolarHBondContact O-CA 3.2Å; C239-C250 VanDerWaalsContact CB-SG 3.51Å; C239-C250 PolarHBondContact N-O 3.42Å; C239-C250 PolarHBondContact O-N 3.14Å |
| 240 | T | 90.2 | Very high | 89.3 | Confident | 33 Ų | 33 | 40.3 Ų | 40.3 | 20% | 0.202 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.8 | 175.9 | -52 | 0 | 0 | 0 | 0 | 108.2 | Y178 K179 Q238 Y247 V249 | Y178-T240 CarbonylContact C-O 3.51Å; Y178-T240 WeakPolarHBondContact CA-O 3.37Å; K179-T240 PolarHBondContact N-O 2.94Å; K179-T240 PolarHBondContact O-N 3.38Å; Q238-T240 PolarHBondContact NE2-OG1 3.35Å; T240-Y247 HydrophobicContact CG2-CD2 4.03Å; T240-Y247 HydrophobicContact CG2-CG 4.39Å; T240-V249 HydrophobicContact CG2-CG1 3.99Å |
| 241 | V | 89.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124 | 176.1 | -171.8 | 0 | 0 | 0 | 0 | 108.4 | P146 P149 A169 L176 S177 Y178 Y247 S248 | P146-V241 HydrophobicContact CB-CB 4.4Å; P146-V241 HydrophobicContact CB-CG1 4.1Å; P149-V241 HydrophobicContact CB-CG2 3.81Å; P149-V241 HydrophobicContact CG-CG2 3.85Å; A169-V241 HydrophobicContact CB-CB 4.48Å; A169-V241 HydrophobicContact CB-CG1 3.98Å; A169-V241 HydrophobicContact CB-CG2 4.45Å; L176-V241 HydrophobicContact CB-CG1 4.21Å; L176-V241 HydrophobicContact CD2-CG1 4.33Å; S177-V241 CarbonylContact O-C 3.6Å; S177-V241 VanDerWaalsContact O-CA 3.25Å; S177-V241 WeakPolarHBondContact O-CA 3.35Å; Y178-V241 HydrophobicContact CD1-CB 4.39Å; Y178-V241 HydrophobicContact CD1-CG1 4.25Å; Y178-V241 HydrophobicContact CD1-CG2 3.4Å; Y178-V241 VanDerWaalsContact CD1-CG2 3.4Å; Y178-V241 HydrophobicContact CD2-CG1 4.45Å; Y178-V241 HydrophobicContact CE1-CB 4.28Å; Y178-V241 HydrophobicContact CE1-CG1 3.9Å; Y178-V241 HydrophobicContact CE1-CG2 3.35Å; Y178-V241 HydrophobicContact CE2-CG1 4.12Å; Y178-V241 HydrophobicContact CG-CG1 4.49Å; Y178-V241 HydrophobicContact CG-CG2 4.21Å; V241-Y247 CarbonylContact O-C 3.56Å; V241-Y247 WeakPolarHBondContact O-CA 3.4Å; V241-Y247 WeakPolarHBondContact O-CB 2.89Å; V241-S248 PolarHBondContact N-O 3.24Å; V241-S248 PolarHBondContact O-N 2.77Å |
| 242 | A | 89.8 | Confident | 89.5 | Confident | 25 Ų | 25 | 37.2 Ų | 37.2 | 21% | 0.207 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 147.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S177 G246 | S177-A242 PolarHBondContact N-O 3.32Å; S177-A242 PolarHBondContact O-N 2.75Å; S177-A242 PolarHBondContact OG-O 2.85Å; A242-G246 WeakPolarHBondContact CA-O 3.44Å |
| 243 | N | 90.4 | Very high | 89.6 | Confident | 18 Ų | 18 | 39.5 Ų | 39.5 | 10% | 0.096 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | -169.4 | 164.9 | 68 | 7.6 | 0 | 0 | 0 | 109.9 | A144 P146 S173 L176 V245 G246 | A144-N243 PolarHBondContact O-ND2 3.03Å; P146-N243 HydrophobicContact CG-CB 4.32Å; S173-N243 PolarHBondContact O-ND2 2.72Å; S173-N243 VanDerWaalsContact O-ND2 3.12Å; L176-N243 HydrophobicContact CD2-CB 4.28Å; N243-V245 PolarHBondContact O-N 2.87Å; N243-V245 VanDerWaalsContact O-N 3.14Å; N243-V245 WeakPolarHBondContact OD1-CG2 3.47Å; N243-V245 PolarHBondContact OD1-N 3.23Å; N243-V245 VanDerWaalsContact OD1-N 3.09Å; N243-G246 PolarHBondContact N-O 2.84Å; N243-G246 PolarHBondContact OD1-N 2.75Å; N243-G246 VanDerWaalsContact OD1-N 3.09Å; N243-G246 PolarHBondContact OD1-O 2.92Å |
| 244 | N | 91.3 | Very high | 89.7 | Confident | 82 Ų | 82 | 37.5 Ų | 37.5 | 44% | 0.439 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.5 | -176.3 | -63.6 | 65.6 | 0 | 0 | 0 | 114 | Y33 | Y33-N244 HydrophobicContact CD1-CB 3.79Å; Y33-N244 HydrophobicContact CD2-CB 4.39Å; Y33-N244 HydrophobicContact CE1-CB 4.43Å; Y33-N244 HydrophobicContact CG-CB 3.77Å |
| 245 | V | 91.1 | Very high | 89.8 | Confident | 20 Ų | 20 | 41.5 Ų | 41.5 | 12% | 0.121 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -8.9 | -169.8 | -59.4 | 0 | 0 | 0 | 0 | 113.8 | A35 Q143 R145 N243 | A35-V245 HydrophobicContact CB-CB 4.15Å; A35-V245 HydrophobicContact CB-CG2 4.35Å; Q143-V245 HydrophobicContact CB-CB 4.41Å; Q143-V245 HydrophobicContact CB-CG1 3.88Å; Q143-V245 HydrophobicContact CB-CG2 3.61Å; Q143-V245 HydrophobicContact CG-CG1 4.49Å; R145-V245 HydrophobicContact CG-CG2 4.14Å; R145-V245 VanDerWaalsContact CZ-O 3.31Å; R145-V245 PolarHBondContact NH1-O 3.21Å; N243-V245 PolarHBondContact O-N 2.87Å; N243-V245 VanDerWaalsContact O-N 3.14Å; N243-V245 WeakPolarHBondContact OD1-CG2 3.47Å; N243-V245 PolarHBondContact OD1-N 3.23Å; N243-V245 VanDerWaalsContact OD1-N 3.09Å |
| 246 | G | 89.1 | Confident | 90 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 12% | 0.124 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175 | -173.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A242 N243 | A242-G246 WeakPolarHBondContact CA-O 3.44Å; N243-G246 PolarHBondContact N-O 2.84Å; N243-G246 PolarHBondContact OD1-N 2.75Å; N243-G246 VanDerWaalsContact OD1-N 3.09Å; N243-G246 PolarHBondContact OD1-O 2.92Å |
| 247 | Y | 89.3 | Confident | 89.9 | Confident | 163 Ų | 163 | 41.1 Ų | 41.1 | 64% | 0.639 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 158 | 179.1 | 68.1 | -86.9 | 0 | 0 | 0 | 111.2 | T240 V241 V249 | T240-Y247 HydrophobicContact CG2-CD2 4.03Å; T240-Y247 HydrophobicContact CG2-CG 4.39Å; V241-Y247 CarbonylContact O-C 3.56Å; V241-Y247 WeakPolarHBondContact O-CA 3.4Å; V241-Y247 WeakPolarHBondContact O-CB 2.89Å; Y247-V249 HydrophobicContact CD2-CG1 4.08Å; Y247-V249 HydrophobicContact CE2-CG1 4.32Å |
| 248 | S | 87.1 | Confident | 89.6 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154.3 | 174.4 | -74.8 | 0 | 0 | 0 | 0 | 109.8 | P146 A147 V241 | P146-S248 WeakPolarHBondContact O-CB 3.49Å; P146-S248 PolarHBondContact O-OG 3.19Å; A147-S248 WeakPolarHBondContact O-CB 3.29Å; V241-S248 PolarHBondContact N-O 3.24Å; V241-S248 PolarHBondContact O-N 2.77Å |
| 249 | V | 88.9 | Confident | 88.9 | Confident | 20 Ų | 20 | 43.8 Ų | 43.8 | 12% | 0.121 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 153.1 | -172.8 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | A192 Q238 C239 T240 Y247 | A192-V249 HydrophobicContact CB-CG2 4.39Å; Q238-V249 HydrophobicContact CG-CB 4.13Å; Q238-V249 HydrophobicContact CG-CG1 4.32Å; C239-V249 VanDerWaalsContact O-CA 3.24Å; C239-V249 WeakPolarHBondContact O-CA 3.2Å; T240-V249 HydrophobicContact CG2-CG1 3.99Å; Y247-V249 HydrophobicContact CD2-CG1 4.08Å; Y247-V249 HydrophobicContact CE2-CG1 4.32Å |
| 250 | C | 89.3 | Confident | 88 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 11% | 0.108 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 166.6 | 167.3 | 67.4 | 0 | 0 | 0 | 0 | 109.1 | P149 C151 Q238 C239 | P149-C250 HydrophobicContact CG-CB 3.9Å; P149-C250 WeakPolarHBondContact O-CB 3.31Å; C151-C250 HydrophobicContact CB-CB 3.74Å; C151-C250 WeakPolarHBondContact CB-SG 3.24Å; C151-C250 WeakPolarHBondContact SG-CB 3.21Å; C151-C250 CovalentContact SG-SG 1.97Å; C151-C250 PolarHBondContact SG-SG 2.98Å; Q238-C250 VanDerWaalsContact CA-O 3.31Å; Q238-C250 WeakPolarHBondContact CA-O 3.2Å; C239-C250 VanDerWaalsContact CB-SG 3.51Å; C239-C250 PolarHBondContact N-O 3.42Å; C239-C250 PolarHBondContact O-N 3.14Å |
| 251 | V | 90.1 | Very high | 87.2 | Confident | 58 Ų | 58 | 58.3 Ų | 58.3 | 35% | 0.352 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139.4 | 179.5 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | I183 P189 L236 Y237 | I183-V251 HydrophobicContact CD1-CG1 4.01Å; I183-V251 HydrophobicContact CD1-CG2 4.33Å; P189-V251 HydrophobicContact CB-CG2 4.4Å; P189-V251 HydrophobicContact CG-CG2 3.57Å; L236-V251 HydrophobicContact CB-CG1 3.86Å; L236-V251 HydrophobicContact CD2-CG1 4.08Å; L236-V251 HydrophobicContact CG-CG1 4.38Å; Y237-V251 CarbonylContact O-C 3.58Å; Y237-V251 VanDerWaalsContact O-CA 3.3Å; Y237-V251 WeakPolarHBondContact O-CA 3.27Å |
| 252 | V | 90.9 | Very high | 86.5 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 6% | 0.061 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 144.6 | 169.5 | -60.2 | 0 | 0 | 0 | 0 | 109.8 | C151 T153 L165 W180 L236 Y237 | C151-V252 HydrophobicContact CB-CG1 3.54Å; T153-V252 HydrophobicContact CG2-CB 4.27Å; T153-V252 HydrophobicContact CG2-CG2 4.39Å; L165-V252 HydrophobicContact CB-CG2 4.44Å; L165-V252 HydrophobicContact CD1-CG2 4.01Å; L165-V252 HydrophobicContact CD2-CG2 4.23Å; L165-V252 HydrophobicContact CG-CG2 4.47Å; W180-V252 HydrophobicContact CH2-CG2 4.03Å; W180-V252 HydrophobicContact CZ3-CG2 3.87Å; L236-V252 WeakPolarHBondContact CA-O 3.39Å; Y237-V252 PolarHBondContact N-O 3.23Å; Y237-V252 PolarHBondContact O-N 2.8Å |
| 253 | E | 90.9 | Very high | 86.2 | Confident | 127 Ų | 127 | 63.6 Ų | 63.6 | 59% | 0.593 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 127.6 | 174.6 | -173.4 | 179.9 | 177.6 | 0 | 0 | 109.7 | L236 | L236-E253 HydrophobicContact CD2-CB 3.67Å; L236-E253 HydrophobicContact CD2-CG 3.88Å |
| 254 | V | 90.8 | Very high | 85.9 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 125.7 | 173 | 177.5 | 0 | 0 | 0 | 0 | 108.1 | L165 L226 D234 G235 Y237 V256 | L165-V254 HydrophobicContact CD1-CG2 4.38Å; L165-V254 HydrophobicContact CD2-CG2 3.8Å; L226-V254 HydrophobicContact CD1-CG1 4.43Å; L226-V254 HydrophobicContact CD1-CG2 4.21Å; D234-V254 WeakPolarHBondContact CA-O 3.47Å; G235-V254 PolarHBondContact N-O 3.01Å; G235-V254 PolarHBondContact O-N 2.74Å; Y237-V254 HydrophobicContact CD2-CB 4Å; Y237-V254 HydrophobicContact CD2-CG2 3.48Å; Y237-V254 VanDerWaalsContact CD2-CG2 3.48Å; Y237-V254 HydrophobicContact CE2-CB 3.72Å; Y237-V254 HydrophobicContact CE2-CG1 4.45Å; Y237-V254 HydrophobicContact CE2-CG2 3.55Å; Y237-V254 HydrophobicContact CG-CG2 4.37Å; V254-V256 HydrophobicContact CG1-CG2 4.23Å |
| 255 | K | 91.1 | Very high | 85.7 | Confident | 140 Ų | 140 | 68 Ų | 68 | 61% | 0.609 | 35% | 0.347 | S | S | * | . | trans | -137.9 | 105.7 | 179 | -172.8 | 172.3 | -173.6 | 168.5 | 0 | 110.6 | M157 S257 | M157-K255 WeakPolarHBondContact CB-O 3.38Å; K255-S257 PolarHBondContact O-N 3.11Å | ||
| 256 | V | 91.6 | Very high | 85.6 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 4% | 0.036 | 36% | 0.363 | C | S | . | . | trans | -83.3 | 120 | -172.8 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | H159 I229 S230 D234 V254 | H159-V256 HydrophobicContact CB-CG1 4.19Å; I229-V256 HydrophobicContact CB-CG2 4.09Å; I229-V256 HydrophobicContact CD1-CG1 4.16Å; I229-V256 HydrophobicContact CD1-CG2 3.97Å; I229-V256 HydrophobicContact CG1-CG1 3.95Å; I229-V256 HydrophobicContact CG1-CG2 4.06Å; S230-V256 WeakPolarHBondContact O-CG2 3.31Å; D234-V256 WeakPolarHBondContact OD1-CB 3.34Å; D234-V256 WeakPolarHBondContact OD1-CG2 3.38Å; D234-V256 PolarHBondContact OD1-N 2.92Å; V254-V256 HydrophobicContact CG1-CG2 4.23Å | ||
| 257 | S | 88.5 | Confident | 85.7 | Confident | 63 Ų | 63 | 73.6 Ų | 73.6 | 44% | 0.441 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -82.3 | 140.7 | 174.1 | -64.1 | 0 | 0 | 0 | 0 | 110.8 | M157 T158 H159 K255 | M157-S257 WeakPolarHBondContact O-CB 3.18Å; M157-S257 PolarHBondContact O-N 2.96Å; T158-S257 CarbonylContact C-O 3.59Å; T158-S257 VanDerWaalsContact CA-O 3.27Å; T158-S257 WeakPolarHBondContact CA-O 3.35Å; H159-S257 PolarHBondContact N-O 3.5Å; K255-S257 PolarHBondContact O-N 3.11Å |
| 258 | D | 81.6 | Confident | 86 | Confident | 35 Ų | 35 | 68.4 Ų | 68.4 | 19% | 0.187 | 37% | 0.371 | C | S | . | . | trans | -108.3 | 100.3 | 180 | -176.9 | -8.5 | 0 | 0 | 0 | 109.1 | R231 R260 R261 | R231-D258 IonicContact NE-OD2 3.31Å; R231-D258 IonicContact NH2-OD2 2.71Å; D258-R260 PolarHBondContact O-N 2.76Å; D258-R260 VanDerWaalsContact OD1-CB 3.24Å; D258-R260 WeakPolarHBondContact OD1-CB 3.37Å; D258-R260 PolarHBondContact OD1-N 2.84Å; D258-R260 VanDerWaalsContact OD1-N 3.1Å; D258-R261 HydrophobicContact CB-CG 4.21Å; D258-R261 PolarHBondContact O-N 2.8Å; D258-R261 VanDerWaalsContact O-N 3.13Å; D258-R261 WeakPolarHBondContact OD2-CG 3.33Å; D258-R261 IonicContact OD2-NE 3.37Å; D258-R261 PolarHBondContact OD2-NE 2.94Å; D258-R261 VanDerWaalsContact OD2-NE 3.14Å | ||
| 259 | S | 74.9 | Confident | 86.4 | Confident | 70 Ų | 70 | 71.9 Ų | 71.9 | 49% | 0.49 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.2 | -26.5 | -179.7 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | R261 I262 G263 | S259-R261 VanDerWaalsContact C-N 3.33Å; S259-R261 PolarHBondContact O-N 2.88Å; S259-I262 PolarHBondContact O-N 2.93Å; S259-G263 PolarHBondContact O-N 2.76Å; S259-G263 VanDerWaalsContact O-N 3.07Å |
| 260 | R | 72.6 | Confident | 86.7 | Confident | 204 Ų | 204 | 76.1 Ų | 76.1 | 77% | 0.77 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65 | -37.4 | 177.5 | -170.3 | 178.7 | 177.7 | -177.5 | -0 | 111.4 | D258 G263 V264 | D258-R260 PolarHBondContact O-N 2.76Å; D258-R260 VanDerWaalsContact OD1-CB 3.24Å; D258-R260 WeakPolarHBondContact OD1-CB 3.37Å; D258-R260 PolarHBondContact OD1-N 2.84Å; D258-R260 VanDerWaalsContact OD1-N 3.1Å; R260-G263 PolarHBondContact O-N 2.86Å; R260-V264 VanDerWaalsContact O-CG2 3.29Å; R260-V264 WeakPolarHBondContact O-CG2 3.4Å; R260-V264 PolarHBondContact O-N 3.34Å |
| 261 | R | 72.8 | Confident | 87 | Confident | 133 Ų | 133 | 77.2 Ų | 77.2 | 50% | 0.502 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 177.2 | -68.1 | -172.5 | -160.3 | -154 | 6.5 | 111.9 | D258 S259 G263 V264 I265 | D258-R261 HydrophobicContact CB-CG 4.21Å; D258-R261 PolarHBondContact O-N 2.8Å; D258-R261 VanDerWaalsContact O-N 3.13Å; D258-R261 WeakPolarHBondContact OD2-CG 3.33Å; D258-R261 IonicContact OD2-NE 3.37Å; D258-R261 PolarHBondContact OD2-NE 2.94Å; D258-R261 VanDerWaalsContact OD2-NE 3.14Å; S259-R261 VanDerWaalsContact C-N 3.33Å; S259-R261 PolarHBondContact O-N 2.88Å; R261-G263 VanDerWaalsContact C-N 3.34Å; R261-V264 PolarHBondContact O-N 2.65Å; R261-I265 WeakPolarHBondContact O-CD1 3.25Å; R261-I265 WeakPolarHBondContact O-CG1 3.34Å; R261-I265 PolarHBondContact O-N 2.68Å |
| 262 | I | 75.5 | Confident | 87.3 | Confident | 97 Ų | 97 | 77.7 Ų | 77.7 | 50% | 0.497 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 177.4 | -59.9 | 175.9 | 0 | 0 | 0 | 109.7 | S259 V264 I265 I266 | S259-I262 PolarHBondContact O-N 2.93Å; I262-V264 PolarHBondContact O-N 2.94Å; I262-I265 PolarHBondContact O-N 2.95Å; I262-I266 HydrophobicContact CG2-CD1 3.8Å; I262-I266 HydrophobicContact CG2-CG1 4.49Å; I262-I266 VanDerWaalsContact O-CG1 3.31Å; I262-I266 WeakPolarHBondContact O-CG1 3.38Å; I262-I266 PolarHBondContact O-N 3.31Å |
| 263 | G | 81.8 | Confident | 87.6 | Confident | 40 Ų | 40 | 82.4 Ų | 82.4 | 41% | 0.412 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S259 R260 R261 I266 A267 | S259-G263 PolarHBondContact O-N 2.76Å; S259-G263 VanDerWaalsContact O-N 3.07Å; R260-G263 PolarHBondContact O-N 2.86Å; R261-G263 VanDerWaalsContact C-N 3.34Å; G263-I266 PolarHBondContact O-N 3.13Å; G263-A267 WeakPolarHBondContact O-CB 3.28Å; G263-A267 PolarHBondContact O-N 3.45Å |
| 264 | V | 85.9 | Confident | 87.9 | Confident | 92 Ų | 92 | 82.3 Ų | 82.3 | 56% | 0.558 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65 | -41.8 | 177.8 | 171.7 | 0 | 0 | 0 | 0 | 111.8 | R260 R261 I262 A267 A268 | R260-V264 VanDerWaalsContact O-CG2 3.29Å; R260-V264 WeakPolarHBondContact O-CG2 3.4Å; R260-V264 PolarHBondContact O-N 3.34Å; R261-V264 PolarHBondContact O-N 2.65Å; I262-V264 PolarHBondContact O-N 2.94Å; V264-A267 PolarHBondContact O-N 3.31Å; V264-A268 VanDerWaalsContact O-CB 3.31Å; V264-A268 WeakPolarHBondContact O-CB 3.29Å; V264-A268 PolarHBondContact O-N 2.92Å |
| 265 | I | 85.6 | Confident | 88.1 | Confident | 100 Ų | 100 | 84.6 Ų | 84.6 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 178.3 | -68.2 | 163.2 | 0 | 0 | 0 | 110.4 | R261 I262 A267 A268 I269 | R261-I265 WeakPolarHBondContact O-CD1 3.25Å; R261-I265 WeakPolarHBondContact O-CG1 3.34Å; R261-I265 PolarHBondContact O-N 2.68Å; I262-I265 PolarHBondContact O-N 2.95Å; I265-A267 PolarHBondContact O-N 3.33Å; I265-A268 PolarHBondContact O-N 3.34Å; I265-I269 HydrophobicContact CG2-CD1 3.68Å; I265-I269 HydrophobicContact CG2-CG1 4.44Å; I265-I269 VanDerWaalsContact O-CG1 3.25Å; I265-I269 WeakPolarHBondContact O-CG1 3.32Å; I265-I269 PolarHBondContact O-N 3.21Å |
| 266 | I | 88.8 | Confident | 88.4 | Confident | 89 Ų | 89 | 83.2 Ų | 83.2 | 46% | 0.456 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 178.3 | -66.8 | 168.9 | 0 | 0 | 0 | 110.5 | I262 G263 A268 I269 L270 | I262-I266 HydrophobicContact CG2-CD1 3.8Å; I262-I266 HydrophobicContact CG2-CG1 4.49Å; I262-I266 VanDerWaalsContact O-CG1 3.31Å; I262-I266 WeakPolarHBondContact O-CG1 3.38Å; I262-I266 PolarHBondContact O-N 3.31Å; G263-I266 PolarHBondContact O-N 3.13Å; I266-A268 PolarHBondContact O-N 3.1Å; I266-I269 PolarHBondContact O-N 2.88Å; I266-L270 HydrophobicContact CG2-CD1 3.71Å; I266-L270 HydrophobicContact CG2-CG 4.32Å; I266-L270 WeakPolarHBondContact O-CB 3.25Å; I266-L270 WeakPolarHBondContact O-CG 3.31Å; I266-L270 PolarHBondContact O-N 3.12Å |
| 267 | A | 91.6 | Very high | 88.6 | Confident | 61 Ų | 61 | 84.8 Ų | 84.8 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G263 V264 I265 G271 | G263-A267 WeakPolarHBondContact O-CB 3.28Å; G263-A267 PolarHBondContact O-N 3.45Å; V264-A267 PolarHBondContact O-N 3.31Å; I265-A267 PolarHBondContact O-N 3.33Å; A267-G271 WeakPolarHBondContact O-CA 3.39Å; A267-G271 PolarHBondContact O-N 2.87Å |
| 268 | A | 95 | Very high | 89 | Confident | 53 Ų | 53 | 85.6 Ų | 85.6 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V264 I265 I266 S272 | V264-A268 VanDerWaalsContact O-CB 3.31Å; V264-A268 WeakPolarHBondContact O-CB 3.29Å; V264-A268 PolarHBondContact O-N 2.92Å; I265-A268 PolarHBondContact O-N 3.34Å; I266-A268 PolarHBondContact O-N 3.1Å; A268-S272 VanDerWaalsContact O-CB 3.25Å; A268-S272 WeakPolarHBondContact O-CB 3.48Å; A268-S272 PolarHBondContact O-N 3.32Å; A268-S272 PolarHBondContact O-OG 3.01Å |
| 269 | I | 95.6 | Very high | 89.6 | Confident | 93 Ų | 93 | 89.3 Ų | 89.3 | 48% | 0.477 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -51.7 | 178.4 | -67.2 | 165.6 | 0 | 0 | 0 | 110.5 | I265 I266 G271 S272 L273 | I265-I269 HydrophobicContact CG2-CD1 3.68Å; I265-I269 HydrophobicContact CG2-CG1 4.44Å; I265-I269 VanDerWaalsContact O-CG1 3.25Å; I265-I269 WeakPolarHBondContact O-CG1 3.32Å; I265-I269 PolarHBondContact O-N 3.21Å; I266-I269 PolarHBondContact O-N 2.88Å; I269-G271 PolarHBondContact O-N 2.96Å; I269-S272 PolarHBondContact O-N 3.48Å; I269-L273 HydrophobicContact CG2-CD1 3.9Å; I269-L273 WeakPolarHBondContact O-CB 3.26Å; I269-L273 WeakPolarHBondContact O-CG 3.49Å; I269-L273 PolarHBondContact O-N 3.45Å |
| 270 | L | 95.8 | Very high | 90.5 | Very high | 110 Ų | 110 | 88.9 Ų | 88.9 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.5 | -41.5 | 179.9 | -70.6 | 174.1 | 0 | 0 | 0 | 111.8 | I266 L273 L274 | I266-L270 HydrophobicContact CG2-CD1 3.71Å; I266-L270 HydrophobicContact CG2-CG 4.32Å; I266-L270 WeakPolarHBondContact O-CB 3.25Å; I266-L270 WeakPolarHBondContact O-CG 3.31Å; I266-L270 PolarHBondContact O-N 3.12Å; L270-L273 PolarHBondContact O-N 2.76Å; L270-L274 WeakPolarHBondContact O-CB 3.44Å; L270-L274 PolarHBondContact O-N 3.3Å |
| 271 | G | 96.3 | Very high | 91.5 | Very high | 38 Ų | 38 | 84.3 Ų | 84.3 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A267 I269 L274 A275 | A267-G271 WeakPolarHBondContact O-CA 3.39Å; A267-G271 PolarHBondContact O-N 2.87Å; I269-G271 PolarHBondContact O-N 2.96Å; G271-L274 PolarHBondContact O-N 3.35Å; G271-A275 WeakPolarHBondContact O-CB 3.43Å; G271-A275 PolarHBondContact O-N 3.05Å |
| 272 | S | 96.2 | Very high | 92.5 | Very high | 69 Ų | 69 | 79.8 Ų | 79.8 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 177.6 | -57.7 | 0 | 0 | 0 | 0 | 112 | A268 I269 A275 L276 | A268-S272 VanDerWaalsContact O-CB 3.25Å; A268-S272 WeakPolarHBondContact O-CB 3.48Å; A268-S272 PolarHBondContact O-N 3.32Å; A268-S272 PolarHBondContact O-OG 3.01Å; I269-S272 PolarHBondContact O-N 3.48Å; S272-A275 PolarHBondContact O-N 2.8Å; S272-L276 WeakPolarHBondContact O-CB 3.47Å; S272-L276 WeakPolarHBondContact O-CG 3.34Å; S272-L276 PolarHBondContact O-N 2.98Å |
| 273 | L | 96.8 | Very high | 93.3 | Very high | 109 Ų | 109 | 80.2 Ų | 80.2 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 176.5 | -74.6 | 169.5 | 0 | 0 | 0 | 111.9 | I269 L270 G277 | I269-L273 HydrophobicContact CG2-CD1 3.9Å; I269-L273 WeakPolarHBondContact O-CB 3.26Å; I269-L273 WeakPolarHBondContact O-CG 3.49Å; I269-L273 PolarHBondContact O-N 3.45Å; L270-L273 PolarHBondContact O-N 2.76Å; L273-G277 PolarHBondContact O-N 3.07Å |
| 274 | L | 96.8 | Very high | 93.8 | Very high | 125 Ų | 125 | 87.3 Ų | 87.3 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.1 | -47 | 175.7 | -169.1 | 93.1 | 0 | 0 | 0 | 111.1 | L270 G271 L276 G277 C278 | L270-L274 WeakPolarHBondContact O-CB 3.44Å; L270-L274 PolarHBondContact O-N 3.3Å; G271-L274 PolarHBondContact O-N 3.35Å; L274-L276 PolarHBondContact O-N 3.39Å; L274-G277 PolarHBondContact O-N 2.86Å; L274-G277 VanDerWaalsContact O-N 3.17Å; L274-C278 PolarHBondContact O-N 3.23Å; L274-C278 PolarHBondContact O-SG 3.31Å; L274-C278 VanDerWaalsContact O-SG 3.36Å |
| 275 | A | 96.2 | Very high | 93.9 | Very high | 50 Ų | 50 | 84.4 Ų | 84.4 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G271 S272 G277 C278 L279 | G271-A275 WeakPolarHBondContact O-CB 3.43Å; G271-A275 PolarHBondContact O-N 3.05Å; S272-A275 PolarHBondContact O-N 2.8Å; A275-G277 VanDerWaalsContact C-N 3.34Å; A275-G277 PolarHBondContact O-N 2.88Å; A275-C278 PolarHBondContact O-N 3.42Å; A275-L279 VanDerWaalsContact O-CG 3.32Å; A275-L279 WeakPolarHBondContact O-CG 3.35Å; A275-L279 PolarHBondContact O-N 3.45Å |
| 276 | L | 96.4 | Very high | 93.9 | Very high | 111 Ų | 111 | 85.3 Ų | 85.3 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.2 | -41.7 | 174 | -75.9 | 170.4 | 0 | 0 | 0 | 112 | S272 L274 L279 A280 | S272-L276 WeakPolarHBondContact O-CB 3.47Å; S272-L276 WeakPolarHBondContact O-CG 3.34Å; S272-L276 PolarHBondContact O-N 2.98Å; L274-L276 PolarHBondContact O-N 3.39Å; L276-L279 PolarHBondContact O-N 3.48Å; L276-A280 WeakPolarHBondContact O-CB 3.39Å; L276-A280 PolarHBondContact O-N 3.46Å |
| 277 | G | 96.5 | Very high | 93.7 | Very high | 38 Ų | 38 | 85 Ų | 85 | 39% | 0.392 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L273 L274 A275 L279 A280 V281 | L273-G277 PolarHBondContact O-N 3.07Å; L274-G277 PolarHBondContact O-N 2.86Å; L274-G277 VanDerWaalsContact O-N 3.17Å; A275-G277 VanDerWaalsContact C-N 3.34Å; A275-G277 PolarHBondContact O-N 2.88Å; G277-L279 PolarHBondContact O-N 2.95Å; G277-A280 PolarHBondContact O-N 2.97Å; G277-V281 WeakPolarHBondContact O-CG2 3.32Å; G277-V281 PolarHBondContact O-N 2.93Å |
| 278 | C | 95.6 | Very high | 93.1 | Very high | 81 Ų | 81 | 85.2 Ų | 85.2 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 176.5 | -68.2 | 0 | 0 | 0 | 0 | 112.4 | L274 A275 V281 G282 | L274-C278 PolarHBondContact O-N 3.23Å; L274-C278 PolarHBondContact O-SG 3.31Å; L274-C278 VanDerWaalsContact O-SG 3.36Å; A275-C278 PolarHBondContact O-N 3.42Å; C278-V281 PolarHBondContact O-N 3.46Å; C278-G282 PolarHBondContact O-N 2.91Å |
| 279 | L | 95.6 | Very high | 92 | Very high | 112 Ų | 112 | 87.6 Ų | 87.6 | 59% | 0.586 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.9 | -43 | 175.9 | -72.5 | 173.5 | 0 | 0 | 0 | 111.7 | A275 L276 G277 V281 G282 I283 | A275-L279 VanDerWaalsContact O-CG 3.32Å; A275-L279 WeakPolarHBondContact O-CG 3.35Å; A275-L279 PolarHBondContact O-N 3.45Å; L276-L279 PolarHBondContact O-N 3.48Å; G277-L279 PolarHBondContact O-N 2.95Å; L279-V281 VanDerWaalsContact C-N 3.34Å; L279-V281 PolarHBondContact O-N 3.46Å; L279-G282 PolarHBondContact O-N 3.41Å; L279-I283 WeakPolarHBondContact O-CB 3.31Å; L279-I283 VanDerWaalsContact O-CG1 3.26Å; L279-I283 WeakPolarHBondContact O-CG1 3.44Å; L279-I283 PolarHBondContact O-N 2.97Å |
| 280 | A | 94.2 | Very high | 90.6 | Very high | 61 Ų | 61 | 88.3 Ų | 88.3 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L276 G277 W284 | L276-A280 WeakPolarHBondContact O-CB 3.39Å; L276-A280 PolarHBondContact O-N 3.46Å; G277-A280 PolarHBondContact O-N 2.97Å; A280-W284 VanDerWaalsContact O-CB 3.31Å; A280-W284 WeakPolarHBondContact O-CB 3.42Å; A280-W284 PolarHBondContact O-N 3.34Å |
| 281 | V | 93.6 | Very high | 89 | Confident | 108 Ų | 108 | 88.2 Ų | 88.2 | 66% | 0.655 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.2 | -40.8 | 175.1 | 174.3 | 0 | 0 | 0 | 0 | 111.6 | G277 C278 L279 W284 G285 | G277-V281 WeakPolarHBondContact O-CG2 3.32Å; G277-V281 PolarHBondContact O-N 2.93Å; C278-V281 PolarHBondContact O-N 3.46Å; L279-V281 VanDerWaalsContact C-N 3.34Å; L279-V281 PolarHBondContact O-N 3.46Å; V281-W284 PolarHBondContact O-N 2.83Å; V281-G285 PolarHBondContact O-N 2.93Å |
| 282 | G | 92.8 | Very high | 87.1 | Confident | 38 Ų | 38 | 89.5 Ų | 89.5 | 39% | 0.392 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.4 | -46 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | C278 L279 G285 L286 | C278-G282 PolarHBondContact O-N 2.91Å; L279-G282 PolarHBondContact O-N 3.41Å; G282-G285 PolarHBondContact O-N 3.45Å; G282-L286 WeakPolarHBondContact O-CG 3.42Å; G282-L286 PolarHBondContact O-N 3.47Å |
| 283 | I | 92.9 | Very high | 85.1 | Confident | 107 Ų | 107 | 89 Ų | 89 | 55% | 0.549 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.4 | -45.1 | 175.6 | -67 | 164.8 | 0 | 0 | 0 | 110.2 | L279 G285 L286 V287 | L279-I283 WeakPolarHBondContact O-CB 3.31Å; L279-I283 VanDerWaalsContact O-CG1 3.26Å; L279-I283 WeakPolarHBondContact O-CG1 3.44Å; L279-I283 PolarHBondContact O-N 2.97Å; I283-G285 VanDerWaalsContact C-N 3.34Å; I283-G285 PolarHBondContact O-N 3.48Å; I283-L286 PolarHBondContact O-N 2.96Å; I283-V287 HydrophobicContact CG2-CG2 4.35Å; I283-V287 WeakPolarHBondContact O-CG2 3.2Å; I283-V287 PolarHBondContact O-N 3.32Å |
| 284 | W | 90.9 | Very high | 82.6 | Confident | 189 Ų | 189 | 90 Ų | 90 | 72% | 0.716 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -57.7 | -46.7 | 175.5 | -175.3 | -82.3 | 0 | 0 | 0 | 111.9 | A280 V281 L286 V287 C288 | A280-W284 VanDerWaalsContact O-CB 3.31Å; A280-W284 WeakPolarHBondContact O-CB 3.42Å; A280-W284 PolarHBondContact O-N 3.34Å; V281-W284 PolarHBondContact O-N 2.83Å; W284-L286 PolarHBondContact O-N 2.94Å; W284-V287 PolarHBondContact O-N 3.17Å; W284-C288 PolarHBondContact NE1-SG 3.32Å; W284-C288 WeakPolarHBondContact O-CB 3.23Å; W284-C288 PolarHBondContact O-N 3.25Å; W284-C288 PolarHBondContact O-SG 2.99Å; W284-C288 VanDerWaalsContact O-SG 3.41Å |
| 285 | G | 89.1 | Confident | 80.3 | Confident | 31 Ų | 31 | 88 Ų | 88 | 32% | 0.32 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.9 | -45.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V281 G282 I283 C288 C289 | V281-G285 PolarHBondContact O-N 2.93Å; G282-G285 PolarHBondContact O-N 3.45Å; I283-G285 VanDerWaalsContact C-N 3.34Å; I283-G285 PolarHBondContact O-N 3.48Å; G285-C288 PolarHBondContact O-N 2.94Å; G285-C289 VanDerWaalsContact O-CB 3.28Å; G285-C289 WeakPolarHBondContact O-CB 3.44Å; G285-C289 PolarHBondContact O-N 3.48Å; G285-C289 PolarHBondContact O-SG 3.37Å |
| 286 | L | 85.3 | Confident | 77.9 | Confident | 118 Ų | 118 | 90.8 Ų | 90.8 | 62% | 0.618 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.6 | -44.8 | 176 | -73.2 | 172.7 | 0 | 0 | 0 | 112.1 | G282 I283 W284 C289 C290 | G282-L286 WeakPolarHBondContact O-CG 3.42Å; G282-L286 PolarHBondContact O-N 3.47Å; I283-L286 PolarHBondContact O-N 2.96Å; W284-L286 PolarHBondContact O-N 2.94Å; L286-C289 PolarHBondContact O-N 2.92Å; L286-C290 VanDerWaalsContact O-CB 3.23Å; L286-C290 WeakPolarHBondContact O-CB 3.37Å; L286-C290 PolarHBondContact O-N 2.88Å; L286-C290 PolarHBondContact O-SG 3.36Å |
| 287 | V | 85.4 | Confident | 75.4 | Confident | 82 Ų | 82 | 89.6 Ų | 89.6 | 50% | 0.497 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.6 | -44.8 | 177.9 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | I283 W284 C289 C290 C291 | I283-V287 HydrophobicContact CG2-CG2 4.35Å; I283-V287 WeakPolarHBondContact O-CG2 3.2Å; I283-V287 PolarHBondContact O-N 3.32Å; W284-V287 PolarHBondContact O-N 3.17Å; V287-C289 PolarHBondContact O-N 2.96Å; V287-C290 PolarHBondContact O-N 3.41Å; V287-C291 WeakPolarHBondContact O-CB 3.28Å; V287-C291 PolarHBondContact O-N 3.39Å; V287-C291 PolarHBondContact O-SG 2.89Å; V287-C291 VanDerWaalsContact O-SG 3.39Å |
| 288 | C | 78.3 | Confident | 72.6 | Confident | 67 Ų | 67 | 91.9 Ų | 91.9 | 45% | 0.453 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -65.1 | -38.2 | 176.6 | -71.6 | 0 | 0 | 0 | 0 | 112.7 | W284 G285 G292 | W284-C288 PolarHBondContact NE1-SG 3.32Å; W284-C288 WeakPolarHBondContact O-CB 3.23Å; W284-C288 PolarHBondContact O-N 3.25Å; W284-C288 PolarHBondContact O-SG 2.99Å; W284-C288 VanDerWaalsContact O-SG 3.41Å; G285-C288 PolarHBondContact O-N 2.94Å; C288-G292 WeakPolarHBondContact O-CA 3.37Å; C288-G292 PolarHBondContact O-N 3.47Å |
| 289 | C | 72.3 | Confident | 70.1 | Confident | 102 Ų | 102 | 92.5 Ų | 92.5 | 69% | 0.689 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.2 | -38.2 | 177.1 | -73.5 | 0 | 0 | 0 | 0 | 112.6 | G285 L286 V287 | G285-C289 VanDerWaalsContact O-CB 3.28Å; G285-C289 WeakPolarHBondContact O-CB 3.44Å; G285-C289 PolarHBondContact O-N 3.48Å; G285-C289 PolarHBondContact O-SG 3.37Å; L286-C289 PolarHBondContact O-N 2.92Å; V287-C289 PolarHBondContact O-N 2.96Å |
| 290 | C | 66.3 | Low | 67.6 | Low | 108 Ų | 108 | 99.2 Ų | 99.2 | 73% | 0.73 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -78.5 | -26.3 | 179.4 | -68.1 | 0 | 0 | 0 | 0 | 113 | L286 V287 | L286-C290 VanDerWaalsContact O-CB 3.23Å; L286-C290 WeakPolarHBondContact O-CB 3.37Å; L286-C290 PolarHBondContact O-N 2.88Å; L286-C290 PolarHBondContact O-SG 3.36Å; V287-C290 PolarHBondContact O-N 3.41Å |
| 291 | C | 61.5 | Low | 64.9 | Low | 109 Ų | 109 | 99.9 Ų | 99.9 | 74% | 0.736 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -100 | -6.2 | 177.9 | -61.1 | 0 | 0 | 0 | 0 | 113.8 | V287 | V287-C291 WeakPolarHBondContact O-CB 3.28Å; V287-C291 PolarHBondContact O-N 3.39Å; V287-C291 PolarHBondContact O-SG 2.89Å; V287-C291 VanDerWaalsContact O-SG 3.39Å |
| 292 | G | 57.4 | Low | 62.3 | Low | 64 Ų | 64 | 99.3 Ų | 99.3 | 66% | 0.66 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -97 | 0.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | C288 | C288-G292 WeakPolarHBondContact O-CA 3.37Å; C288-G292 PolarHBondContact O-N 3.47Å |
| 293 | G | 52.9 | Low | 59.8 | Low | 59 Ų | 59 | 107.6 Ų | 107.6 | 61% | 0.608 | 73% | 0.726 | S | S | * | * | trans | -105.3 | 80.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 294 | S | 44.9 | Very low | 57 | Low | 130 Ų | 130 | 106.2 Ų | 106.2 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | trans | -178.2 | 122.1 | 148.1 | -81.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 295 | G | 47.6 | Very low | 54.6 | Low | 84 Ų | 84 | 108.6 Ų | 108.6 | 87% | 0.866 | 75% | 0.748 | S | S | * | * | trans | 141.9 | 62.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 296 | A | 47 | Very low | 52.2 | Low | 107 Ų | 107 | 110.8 Ų | 110.8 | 88% | 0.884 | 77% | 0.771 | S | S | * | * | trans | -78.3 | 139.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 297 | G | 44.2 | Very low | 49.9 | Very low | 87 Ų | 87 | 113.6 Ų | 113.6 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | 97.1 | 125.7 | 147.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 298 | G | 37.9 | Very low | 47.7 | Very low | 86 Ų | 86 | 113.1 Ų | 113.1 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | 158.7 | 119.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 299 | A | 41.3 | Very low | 45.7 | Very low | 93 Ų | 93 | 114 Ų | 114 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -93.6 | 158.2 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 300 | R | 43 | Very low | 43.9 | Very low | 254 Ų | 254 | 112.5 Ų | 112.5 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | trans | 49.5 | 134.9 | 140.5 | -72.1 | 179.3 | 166.8 | 177 | -4.2 | 121.9 | ||||
| 301 | G | 37.8 | Very low | 42.5 | Very low | 74 Ų | 74 | 114.8 Ų | 114.8 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | trans | 119.7 | 97.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 302 | A | 39.8 | Very low | 41.3 | Very low | 97 Ų | 97 | 113 Ų | 113 | 80% | 0.802 | 83% | 0.831 | S | S | * | * | 65 | 105.2 | 81.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 303 | F | 39 | Very low | 40.3 | Very low | 212 Ų | 212 | 114 Ų | 114 | 93% | 0.93 | 84% | 0.841 | S | S | * | * | trans | 36.7 | 124 | 148.7 | -82.4 | -90.7 | 0 | 0 | 0 | 121 | ||||
| 304 | G | 35.2 | Very low | 39.4 | Very low | 77 Ų | 77 | 114.8 Ų | 114.8 | 79% | 0.794 | 85% | 0.849 | S | S | * | * | trans | -177.4 | 110.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 305 | Y | 39.4 | Very low | 39 | Very low | 239 Ų | 239 | 113.3 Ų | 113.3 | 94% | 0.937 | 84% | 0.844 | S | S | * | * | trans | -56.6 | 146.4 | 173.3 | -100.9 | -104.8 | 0 | 0 | 0 | 112.9 | ||||
| 306 | G | 40.4 | Very low | 38.5 | Very low | 78 Ų | 78 | 115.5 Ų | 115.5 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | trans | -171.3 | 86.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 307 | N | 37.3 | Very low | 37.9 | Very low | 177 Ų | 177 | 114.3 Ų | 114.3 | 95% | 0.947 | 84% | 0.843 | S | S | * | * | trans | -68.4 | 133.3 | 173.2 | -154.6 | 18.1 | 0 | 0 | 0 | 109.5 | ||||
| 308 | G | 38.3 | Very low | 37.5 | Very low | 72 Ų | 72 | 117.6 Ų | 117.6 | 74% | 0.742 | 84% | 0.84 | S | S | * | * | trans | 166.2 | 83.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 309 | G | 36.2 | Very low | 37.7 | Very low | 85 Ų | 85 | 121.6 Ų | 121.6 | 88% | 0.876 | 84% | 0.84 | S | S | * | * | trans | 31.4 | 128.7 | 142.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 310 | G | 34.1 | Very low | 37.2 | Very low | 70 Ų | 70 | 121.4 Ų | 121.4 | 72% | 0.722 | 84% | 0.839 | S | S | * | * | trans | 135.3 | 100.9 | 135.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 311 | V | 36.9 | Very low | 36.8 | Very low | 157 Ų | 157 | 114.2 Ų | 114.2 | 95% | 0.952 | 83% | 0.827 | S | S | * | * | trans | 55.3 | 121.8 | 138.4 | -159.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 312 | G | 37.2 | Very low | 36.7 | Very low | 72 Ų | 72 | 119.2 Ų | 119.2 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | trans | 138.9 | 92.4 | 136.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 313 | G | 35.1 | Very low | 36.4 | Very low | 85 Ų | 85 | 121.2 Ų | 121.2 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | trans | 85.3 | 135.3 | 135.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 314 | G | 34.5 | Very low | 36.1 | Very low | 75 Ų | 75 | 122.2 Ų | 122.2 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | 103.6 | 86.3 | 146.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 315 | A | 37.1 | Very low | 36.3 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | 39.2 | 111.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 316 | C | 36.1 | Very low | 36.2 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | -153.5 | 114.8 | 127 | -98.8 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 317 | G | 35.5 | Very low | 36.1 | Very low | 82 Ų | 82 | 123.8 Ų | 123.8 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -82.7 | 111.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 318 | D | 34.9 | Very low | 36 | Very low | 155 Ų | 155 | 122 Ų | 122 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -122.8 | 140.3 | 155.4 | -96.6 | -36.3 | 0 | 0 | 0 | 109.4 | ||||
| 319 | L | 41.7 | Very low | 35.8 | Very low | 170 Ų | 170 | 122.5 Ų | 122.5 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | trans | -54.7 | 135.1 | -171.3 | -73.6 | 128.8 | 0 | 0 | 0 | 114.8 | ||||
| 320 | A | 31.9 | Very low | 36.1 | Very low | 89 Ų | 89 | 124.8 Ų | 124.8 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | trans | -166.2 | 103.9 | 140.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 321 | S | 35 | Very low | 36.1 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | 101.5 | 118.9 | 88 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 322 | E | 34.4 | Very low | 35.8 | Very low | 179 Ų | 179 | 123.9 Ų | 123.9 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | trans | 94.7 | 144.9 | 137.1 | -142.2 | 167 | -151.9 | 0 | 0 | 119.5 | ||||
| 323 | I | 33.7 | Very low | 35.9 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | trans | 91 | 105.2 | 165.9 | -44.8 | 166 | 0 | 0 | 0 | 115.4 | ||||
| 324 | R | 33.6 | Very low | 35.8 | Very low | 233 Ų | 233 | 131 Ų | 131 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | 176.8 | 141.9 | 84.4 | -144.6 | 165.3 | -173.9 | 118.2 | -1.1 | 112.2 | |||||
| 325 | E | 39.4 | Very low | 36 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | trans | -70.3 | 157 | 166.2 | -71.6 | 166.6 | 142.8 | 0 | 0 | 112.3 | ||||
| 326 | D | 36.4 | Very low | 35.8 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | 68.8 | 105.9 | 156.5 | -56.7 | -28.1 | 0 | 0 | 0 | 120.8 | ||||
| 327 | A | 38 | Very low | 36 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | trans | -148.1 | 116.4 | 134.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 328 | V | 36.2 | Very low | 35.8 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -70.2 | 127.5 | 171.3 | 165 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 329 | A | 33.9 | Very low | 35.8 | Very low | 84 Ų | 84 | 136.5 Ų | 136.5 | 69% | 0.694 | 82% | 0.823 | S | S | * | * | trans | 40.4 | 145.7 | 145 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 330 | P | 41.9 | Very low | 35.3 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | -140.4 | 158 | 70.6 | 30.6 | -9.8 | 0 | 0 | 0 | 114.9 | |||||
| 331 | G | 35.6 | Very low | 35.5 | Very low | 72 Ų | 72 | 141.5 Ų | 141.5 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | trans | -76.1 | 166 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 332 | C | 29.8 | Very low | 35.6 | Very low | 137 Ų | 137 | 142.9 Ų | 142.9 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | trans | -154.7 | 137.9 | 148.1 | -103.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 333 | K | 38.8 | Very low | 35.6 | Very low | 209 Ų | 209 | 142.3 Ų | 142.3 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | -65.9 | 133.9 | 176.6 | -63.6 | 174.9 | 177.5 | 176.8 | 0 | 110.2 | ||||
| 334 | A | 32.7 | Very low | 36 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | trans | -169.7 | 126.8 | 141.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 335 | S | 39.1 | Very low | 36.2 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 94% | 0.937 | 83% | 0.825 | S | S | * | * | trans | 9 | 119.2 | 149.7 | -159 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 336 | G | 32.1 | Very low | 36.4 | Very low | 77 Ų | 77 | 134.4 Ų | 134.4 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | -150.2 | 104.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G338 | G336-G338 PolarHBondContact O-N 2.82Š| ||
| 337 | R | 41.4 | Very low | 36.6 | Very low | 254 Ų | 254 | 136.3 Ų | 136.3 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | trans | -57 | 104.3 | 178.6 | -167 | 180 | -158.1 | 172 | 4.1 | 111.2 | S339 | R337-S339 PolarHBondContact O-N 3.46Š| ||
| 338 | G | 30.5 | Very low | 36.8 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -78.3 | 105.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G336 | G336-G338 PolarHBondContact O-N 2.82Š| ||
| 339 | S | 36.5 | Very low | 37 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -66.5 | 122.6 | 160.4 | 177.2 | 0 | 0 | 0 | 0 | 108.7 | R337 | R337-S339 PolarHBondContact O-N 3.46Š| ||
| 340 | R | 31.2 | Very low | 37.2 | Very low | 235 Ų | 235 | 141.3 Ų | 141.3 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | trans | -110.1 | 116.4 | 172.1 | -157.2 | 176.4 | -171.8 | -178.1 | 2.1 | 109.1 | T342 | R340-T342 PolarHBondContact O-N 2.9Š| ||
| 341 | V | 34.4 | Very low | 36.6 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 79% | 0.788 | 83% | 0.826 | S | S | * | * | trans | -64.1 | 122 | 168.6 | 174.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 342 | T | 37.5 | Very low | 36.4 | Very low | 132 Ų | 132 | 145 Ų | 145 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | trans | -87.2 | 125.1 | 167.9 | 39.2 | 0 | 0 | 0 | 0 | 109.6 | R340 | R340-T342 PolarHBondContact O-N 2.9Š| ||
| 343 | H | 35.7 | Very low | 36.5 | Very low | 167 Ų | 167 | 144 Ų | 144 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -119.1 | 146.1 | 157.8 | -153.4 | -92.8 | 0 | 0 | 0 | 110.1 | ||||
| 344 | L | 40.6 | Very low | 36.1 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 73% | 0.728 | 81% | 0.814 | S | S | * | * | trans | -44.4 | 129.2 | -174 | -81.5 | 61.4 | 0 | 0 | 0 | 115.2 | ||||
| 345 | L | 38 | Very low | 36 | Very low | 158 Ų | 158 | 145 Ų | 145 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | -174.3 | 118.7 | 122.8 | -94.1 | 161.7 | 0 | 0 | 0 | 107.6 | Y347 | L345-Y347 PolarHBondContact O-N 3.49Š| |||
| 346 | G | 44.1 | Very low | 36 | Very low | 79 Ų | 79 | 145.6 Ų | 145.6 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -76.9 | 82 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 347 | Y | 40.9 | Very low | 36.1 | Very low | 193 Ų | 193 | 153.3 Ų | 153.3 | 76% | 0.757 | 81% | 0.811 | S | S | * | * | trans | -130.1 | 133.3 | 156.7 | -62.5 | -78.3 | 0 | 0 | 0 | 109.3 | L345 T349 | L345-Y347 PolarHBondContact O-N 3.49Å; Y347-T349 PolarHBondContact O-N 3.36Å | ||
| 348 | P | 42 | Very low | 35.6 | Very low | 128 Ų | 128 | 152.4 Ų | 152.4 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | trans | -67.8 | 116.5 | 169.7 | 27.1 | -30.3 | 0 | 0 | 0 | 108.7 | Q350 | P348-Q350 PolarHBondContact O-N 3.34Š| ||
| 349 | T | 40 | Very low | 35.8 | Very low | 129 Ų | 129 | 158.6 Ų | 158.6 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -78 | 112.5 | 170.5 | 46 | 0 | 0 | 0 | 0 | 108.6 | Y347 N351 | Y347-T349 PolarHBondContact O-N 3.36Å; T349-N351 PolarHBondContact O-N 2.9Å | ||
| 350 | Q | 37.6 | Very low | 35.6 | Very low | 175 Ų | 175 | 163.9 Ų | 163.9 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -71.8 | 115.7 | 165.7 | -80.8 | -175.7 | 8.8 | 0 | 0 | 108.5 | P348 V352 | P348-Q350 PolarHBondContact O-N 3.34Å; Q350-V352 PolarHBondContact O-N 3.29Å | ||
| 351 | N | 30.5 | Very low | 35.7 | Very low | 162 Ų | 162 | 156.5 Ų | 156.5 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -70.4 | 97.1 | 168.2 | -97.3 | -16.3 | 0 | 0 | 0 | 109.2 | T349 S353 | T349-N351 PolarHBondContact O-N 2.9Å; N351-S353 PolarHBondContact O-N 3.49Å | ||
| 352 | V | 31.2 | Very low | 35.7 | Very low | 119 Ų | 119 | 156.2 Ų | 156.2 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | trans | -88.9 | 95.7 | 168.2 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | Q350 R354 | Q350-V352 PolarHBondContact O-N 3.29Å; V352-R354 PolarHBondContact O-N 3.45Å | ||
| 353 | S | 31.8 | Very low | 35.6 | Very low | 116 Ų | 116 | 155.3 Ų | 155.3 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -77 | 100.2 | 168.5 | 57.5 | 0 | 0 | 0 | 0 | 109.5 | N351 S355 | N351-S353 PolarHBondContact O-N 3.49Å; S353-S355 PolarHBondContact O-N 2.88Å | ||
| 354 | R | 31.4 | Very low | 35.5 | Very low | 213 Ų | 213 | 153.5 Ų | 153.5 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -84 | 97.4 | 172.9 | -162.5 | -178.1 | -158.6 | -163.4 | 6.6 | 109.7 | V352 L356 | V352-R354 PolarHBondContact O-N 3.45Å; R354-L356 PolarHBondContact O-N 3.41Å | ||
| 355 | S | 30.6 | Very low | 35 | Very low | 114 Ų | 114 | 153.1 Ų | 153.1 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -84.8 | 99.8 | 167.3 | 63.5 | 0 | 0 | 0 | 0 | 110 | S353 R357 | S353-S355 PolarHBondContact O-N 2.88Å; S355-R357 PolarHBondContact O-N 3.42Å | ||
| 356 | L | 38.9 | Very low | 34.6 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 76% | 0.764 | 81% | 0.813 | S | S | * | * | trans | -76.5 | 104.6 | 164.3 | -95.8 | 147 | 0 | 0 | 0 | 108.6 | R354 | R354-L356 PolarHBondContact O-N 3.41Š| ||
| 357 | R | 32.8 | Very low | 34 | Very low | 240 Ų | 240 | 149 Ų | 149 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -119.5 | 111 | 163 | -109.5 | -170.6 | -168.2 | -164.4 | 4.9 | 111.6 | S355 | S355-R357 PolarHBondContact O-N 3.42Š| ||
| 358 | R | 31.9 | Very low | 33.7 | Very low | 235 Ų | 235 | 146.2 Ų | 146.2 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | 10.3 | 131.6 | 149.7 | -73.4 | 178.1 | 174.8 | 178.7 | -2.5 | 119.6 | ||||
| 359 | K | 34.7 | Very low | 33.2 | Very low | 205 Ų | 205 | 148.6 Ų | 148.6 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | trans | -21.4 | 133.6 | 149.5 | -72 | 177 | 174.7 | 179.9 | 0 | 113.9 | ||||
| 360 | Y | 31.1 | Very low | 32.7 | Very low | 226 Ų | 226 | 149.8 Ų | 149.8 | 89% | 0.886 | 82% | 0.817 | S | S | * | * | trans | -129.4 | 127.2 | 150.5 | -100.8 | -89.4 | 0 | 0 | 0 | 109.7 | ||||
| 361 | A | 33.8 | Very low | 32.4 | Very low | 81 Ų | 81 | 147.8 Ų | 147.8 | 67% | 0.669 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74 | 154.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 362 | P | 35.5 | Very low | 32.4 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 142.1 | 174.4 | 30.9 | -32 | 0 | 0 | 0 | 111.4 | ||
| 363 | P | 34.3 | Very low | 32.3 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 162.3 | 168.8 | 33.2 | -30.2 | 0 | 0 | 0 | 111.8 | ||
| 364 | P | 34.1 | Very low | 32.1 | Very low | 128 Ų | 128 | 145 Ų | 145 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -83 | 146.3 | -159.2 | 32.9 | -33.8 | 0 | 0 | 0 | 113.7 | ||
| 365 | C | 29.3 | Very low | 32.6 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 89% | 0.892 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 122.3 | 168.3 | -60.9 | 0 | 0 | 0 | 0 | 109.9 | ||
| 366 | G | 29.4 | Very low | 32.4 | Very low | 78 Ų | 78 | 140.9 Ų | 140.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 134.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 367 | G | 31.7 | Very low | 31.9 | Very low | 72 Ų | 72 | 140.2 Ų | 140.2 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | -65.7 | -174.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 368 | P | 35.2 | Very low | 31.8 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | -128.8 | 152.1 | 62.8 | 30.4 | -14.2 | 0 | 0 | 0 | 114.9 | |||||
| 369 | E | 31.6 | Very low | 31.7 | Very low | 179 Ų | 179 | 127.2 Ų | 127.2 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -74.2 | 143.2 | 169.8 | -63.1 | -179.5 | 148.9 | 0 | 0 | 110.6 | ||||
| 370 | N | 30.3 | Very low | 31.5 | Very low | 154 Ų | 154 | 122.1 Ų | 122.1 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -167.7 | 111.7 | 131.4 | -89.3 | -37.1 | 0 | 0 | 0 | 111.9 | ||||
| 371 | V | 31.4 | Very low | 31.6 | Very low | 133 Ų | 133 | 116.1 Ų | 116.1 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | 72.2 | 124.6 | 131 | -174.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 372 | A | 29.4 | Very low | 31.3 | Very low | 78 Ų | 78 | 118.4 Ų | 118.4 | 65% | 0.645 | 81% | 0.81 | S | S | * | * | trans | 97.4 | 105.2 | 144.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 373 | L | 28.9 | Very low | 31 | Very low | 168 Ų | 168 | 121.7 Ų | 121.7 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | 60 | 116.8 | 118.2 | -67.5 | 161.2 | 0 | 0 | 0 | 121.3 | |||||
| 374 | A | 28.7 | Very low | 30.9 | Very low | 93 Ų | 93 | 121.1 Ų | 121.1 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | 80.4 | 151.6 | 133.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 375 | P | 40.9 | Very low | 30.9 | Very low | 117 Ų | 117 | 118 Ų | 118 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | -104.6 | 156.9 | -146.9 | 38.7 | -30.7 | 0 | 0 | 0 | 113.2 | ||||
| 376 | C | 26.6 | Very low | 31.2 | Very low | 122 Ų | 122 | 118 Ų | 118 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -171 | 128.7 | 148.5 | -104.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 377 | T | 29.2 | Very low | 31.4 | Very low | 133 Ų | 133 | 119.3 Ų | 119.3 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | trans | 20 | 137.8 | 141.9 | 58.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 378 | A | 29.5 | Very low | 31.5 | Very low | 99 Ų | 99 | 120.3 Ų | 120.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | 108.2 | 122 | 142.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 379 | A | 30.2 | Very low | 31.3 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | 53.4 | 114 | 144.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 380 | A | 29.6 | Very low | 31.4 | Very low | 98 Ų | 98 | 121.4 Ų | 121.4 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | -170 | 126.7 | 129.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 381 | A | 33 | Very low | 31.5 | Very low | 99 Ų | 99 | 120 Ų | 120 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -74.5 | 141.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 382 | C | 28 | Very low | 31.4 | Very low | 129 Ų | 129 | 123.4 Ų | 123.4 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | -135.4 | 97.3 | 159.1 | -65.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 383 | E | 30.7 | Very low | 31.7 | Very low | 193 Ų | 193 | 125.7 Ų | 125.7 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -62.7 | 134 | 163.9 | -76.9 | -166.8 | 141.2 | 0 | 0 | 110 | G385 | E383-G385 PolarHBondContact O-N 3.04Š| ||
| 384 | A | 31.9 | Very low | 31.7 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -81.3 | 105.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 385 | G | 34.1 | Very low | 32 | Very low | 62 Ų | 62 | 128.4 Ų | 128.4 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 147.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111 | E383 S387 | E383-G385 PolarHBondContact O-N 3.04Å; G385-S387 PolarHBondContact O-N 2.89Å |
| 386 | P | 35.7 | Very low | 31.6 | Very low | 131 Ų | 131 | 127.1 Ų | 127.1 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76 | 124.5 | 176.2 | 28.6 | -30.3 | 0 | 0 | 0 | 111 | ||
| 387 | S | 32.4 | Very low | 32.1 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 140.2 | 174 | -60 | 0 | 0 | 0 | 0 | 112.1 | G385 | G385-S387 PolarHBondContact O-N 2.89Š|
| 388 | P | 33.8 | Very low | 32.3 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 61% | 0.61 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 129.8 | 173.4 | 28.6 | -31.3 | 0 | 0 | 0 | 111.2 | Y390 | P388-Y390 HydrophobicContact CB-CE2 4.43Å; P388-Y390 HydrophobicContact CG-CE2 4.13Å |
| 389 | V | 31.6 | Very low | 32.4 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | -89.1 | 114.4 | 172.7 | 178 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 390 | Y | 32.9 | Very low | 32.5 | Very low | 204 Ų | 204 | 132.2 Ų | 132.2 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | trans | -86 | 116.6 | 170.9 | -63.3 | -84.4 | 0 | 0 | 0 | 110.1 | P388 | P388-Y390 HydrophobicContact CB-CE2 4.43Å; P388-Y390 HydrophobicContact CG-CE2 4.13Å | ||
| 391 | V | 33.5 | Very low | 32.4 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -86 | 111.6 | 171 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | V393 | V391-V393 PolarHBondContact O-N 2.96Š| ||
| 392 | K | 28.8 | Very low | 32.5 | Very low | 205 Ų | 205 | 133.1 Ų | 133.1 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | trans | -81.3 | 100 | 174.1 | -164.9 | 172.8 | -174.2 | 172.8 | 0 | 109.1 | K394 | K392-K394 PolarHBondContact O-N 3.45Š| ||
| 393 | V | 35.5 | Very low | 32.8 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | -72 | 119.9 | 171.4 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | V391 S395 | V391-V393 PolarHBondContact O-N 2.96Å; V393-S395 PolarHBondContact O-N 2.9Å | ||
| 394 | K | 30.2 | Very low | 32.8 | Very low | 206 Ų | 206 | 130.9 Ų | 130.9 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -84.8 | 107.8 | 172.6 | -131.2 | 179.1 | -178.3 | -174.9 | 0 | 107.2 | K392 | K392-K394 PolarHBondContact O-N 3.45Š| ||
| 395 | S | 33.2 | Very low | 33.2 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 133.9 | 172.1 | -169.7 | 0 | 0 | 0 | 0 | 109.4 | V393 | V393-S395 PolarHBondContact O-N 2.9Š|
| 396 | A | 32.4 | Very low | 33.1 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66 | 140.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 397 | E | 39.2 | Very low | 32.8 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 135.7 | 179 | -154.9 | 161.1 | 150 | 0 | 0 | 110.1 | ||
| 398 | P | 33 | Very low | 32.7 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 139.7 | 172.6 | 29.3 | -29.3 | 0 | 0 | 0 | 110.4 | D400 | P398-D400 PolarHBondContact O-N 3.26Š|
| 399 | A | 31.9 | Very low | 32.6 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 131.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 400 | D | 30.4 | Very low | 32.8 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 133.3 | -177.7 | -147 | -5.1 | 0 | 0 | 0 | 111.6 | P398 | P398-D400 PolarHBondContact O-N 3.26Š|
| 401 | C | 28.8 | Very low | 32.6 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 76% | 0.757 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 134.8 | 174.2 | -73.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 402 | A | 33.8 | Very low | 32.5 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 133.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 403 | E | 34.8 | Very low | 32.6 | Very low | 205 Ų | 205 | 137.3 Ų | 137.3 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 143.3 | 176.2 | -73.5 | 179.7 | 137.5 | 0 | 0 | 113.6 | ||
| 404 | G | 31.1 | Very low | 32.7 | Very low | 70 Ų | 70 | 141.2 Ų | 141.2 | 72% | 0.722 | 84% | 0.841 | S | S | * | * | trans | -165.3 | 139.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 405 | P | 39.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 138 Ų | 138 | 79% | 0.786 | 84% | 0.838 | S | S | * | * | trans | -107.7 | 167 | -141.5 | 38.9 | -30.3 | 0 | 0 | 0 | 115.2 | ||||
| 406 | V | 32 | Very low | 32.8 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 74% | 0.739 | 84% | 0.841 | S | S | * | * | trans | 91.7 | 98.8 | 150.7 | -170 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 407 | Q | 30.3 | Very low | 32.8 | Very low | 164 Ų | 164 | 142 Ų | 142 | 77% | 0.766 | 85% | 0.846 | S | S | * | * | 169 | 119.8 | 104.2 | -94.4 | -117.5 | -17.1 | 0 | 0 | 111.9 | |||||
| 408 | C | 29.7 | Very low | 32.4 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 85% | 0.851 | 85% | 0.845 | S | S | * | * | trans | -71.7 | 125.9 | 164 | -69.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 409 | K | 32.5 | Very low | 32.4 | Very low | 190 Ų | 190 | 140.9 Ų | 140.9 | 83% | 0.826 | 85% | 0.85 | S | S | * | * | trans | -133.9 | 124.6 | 153 | -101.6 | -176.7 | 179.3 | 177.6 | 0 | 110.3 | ||||
| 410 | N | 35.1 | Very low | 32.4 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 90% | 0.904 | 85% | 0.853 | S | S | * | * | trans | -51.3 | 146 | 170.6 | -61.5 | -26.1 | 0 | 0 | 0 | 112 | ||||
| 411 | G | 30.1 | Very low | 32.5 | Very low | 76 Ų | 76 | 142.4 Ų | 142.4 | 78% | 0.784 | 85% | 0.851 | S | S | * | * | trans | 178 | 78.3 | 170 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 412 | L | 30.2 | Very low | 32.8 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 89% | 0.885 | 86% | 0.859 | S | S | * | * | trans | -60.6 | 133.5 | 155.9 | -162.4 | 99.2 | 0 | 0 | 0 | 108.7 | ||||
| 413 | L | 31.7 | Very low | 32.8 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 82% | 0.822 | 86% | 0.859 | S | S | * | * | trans | 177.3 | 126.3 | 141.9 | -99 | 151.8 | 0 | 0 | 0 | 113.4 | ||||
| 414 | V | 36.2 | Very low | 32.6 | Very low | 208 Ų | 208 | 142.9 Ų | 142.9 | 100% | 1.261 | 85% | 0.85 | S | S | * | * | trans | 71.7 | 0 | 164.8 | -162.3 | 0 | 0 | 0 | 0 | 117.9 |
Retrieved 414 of 414 residues in 579.5 ms
(Link to these results)