| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42 | Very low | 35 | Very low | 249 Ų | 249 | 124.2 Ų | 124.2 | 100% | 1.227 | 69% | 0.69 | S | S | * | * | 0 | 58.3 | 0 | -67.4 | 166.1 | 101.8 | 0 | 0 | 110.7 | |||||
| 2 | C | 31.4 | Very low | 35.6 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 73% | 0.73 | 68% | 0.683 | S | S | * | * | trans | -139 | 11.7 | -179.9 | -147.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 3 | N | 31.7 | Very low | 35.5 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -115.3 | -9.1 | -174.9 | -77.6 | 1.7 | 0 | 0 | 0 | 114.9 | ||
| 4 | S | 33.6 | Very low | 35.6 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 72% | 0.72 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -90 | -17.9 | 174.8 | -75.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 5 | V | 36.6 | Very low | 35.6 | Very low | 104 Ų | 104 | 120.4 Ų | 120.4 | 63% | 0.63 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -84.1 | -21.4 | 179.8 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 6 | C | 30.2 | Very low | 35.8 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 50% | 0.5 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -78.4 | -27.6 | -179.4 | -145.5 | 0 | 0 | 0 | 0 | 113.1 | L10 | C6-L10 PolarHBondContact O-N 3.03Å |
| 7 | F | 31.8 | Very low | 35.9 | Very low | 171 Ų | 171 | 118.9 Ų | 118.9 | 75% | 0.75 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -76.6 | -22.6 | 178.4 | -99.5 | -83.9 | 0 | 0 | 0 | 114.2 | ||
| 8 | I | 39.2 | Very low | 36.3 | Very low | 104 Ų | 104 | 115.8 Ų | 115.8 | 53% | 0.533 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -77.1 | -31 | 176.4 | -58.6 | 177.4 | 0 | 0 | 0 | 110.2 | ||
| 9 | I | 38.3 | Very low | 36.7 | Very low | 115 Ų | 115 | 113.2 Ų | 113.2 | 59% | 0.59 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -77.2 | -32.4 | -179.7 | -58.9 | 174.5 | 0 | 0 | 0 | 111.5 | W12 | I9-W12 PolarHBondContact O-N 3.22Å |
| 10 | L | 33.3 | Very low | 36.6 | Very low | 126 Ų | 126 | 111.6 Ų | 111.6 | 66% | 0.66 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -79.7 | -17.1 | -179.1 | -90.4 | 149.7 | 0 | 0 | 0 | 114.9 | C6 | C6-L10 PolarHBondContact O-N 3.03Å |
| 11 | S | 36.4 | Very low | 36.9 | Very low | 74 Ų | 74 | 110.2 Ų | 110.2 | 52% | 0.517 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | -8.8 | 170.5 | 109.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 12 | W | 42.2 | Very low | 36.6 | Very low | 160 Ų | 160 | 103.6 Ų | 103.6 | 61% | 0.606 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -13.9 | -172.3 | -80.1 | 53.1 | 0 | 0 | 0 | 113.9 | I9 F14 A15 | I9-W12 PolarHBondContact O-N 3.22Å; W12-F14 PolarHBondContact O-N 2.7Å; W12-A15 PolarHBondContact O-N 3.24Å |
| 13 | V | 34.5 | Very low | 36.6 | Very low | 95 Ų | 95 | 103.6 Ų | 103.6 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -23.5 | 163.1 | -174.7 | 0 | 0 | 0 | 0 | 110.7 | L17 | V13-L17 WeakPolarHBondContact O-CG 3.33Š|
| 14 | F | 36.6 | Very low | 36.8 | Very low | 139 Ų | 139 | 102.3 Ų | 102.3 | 61% | 0.61 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -22.3 | 175.3 | -98.3 | -84.8 | 0 | 0 | 0 | 114.2 | W12 V16 L17 V18 | W12-F14 PolarHBondContact O-N 2.7Å; F14-V16 VanDerWaalsContact C-N 3.28Å; F14-V16 PolarHBondContact O-N 2.64Å; F14-L17 HydrophobicContact CD1-CB 4.3Å; F14-L17 HydrophobicContact CD1-CD1 4.35Å; F14-L17 HydrophobicContact CE1-CD1 4.43Å; F14-L17 CarbonylContact O-C 3.59Å; F14-L17 WeakPolarHBondContact O-CA 3.29Å; F14-L17 PolarHBondContact O-N 2.97Å; F14-V18 WeakPolarHBondContact O-CG2 3.22Å; F14-V18 PolarHBondContact O-N 3.03Å |
| 15 | A | 36.8 | Very low | 36.7 | Very low | 46 Ų | 46 | 108.5 Ų | 108.5 | 38% | 0.38 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.9 | -29.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W12 L17 | W12-A15 PolarHBondContact O-N 3.24Å; A15-L17 VanDerWaalsContact C-N 3.26Å |
| 16 | V | 37.4 | Very low | 36.9 | Very low | 115 Ų | 115 | 109.4 Ų | 109.4 | 70% | 0.697 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -21.4 | 169.2 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | F14 | F14-V16 VanDerWaalsContact C-N 3.28Å; F14-V16 PolarHBondContact O-N 2.64Å |
| 17 | L | 38.8 | Very low | 37.1 | Very low | 100 Ų | 100 | 108.9 Ų | 108.9 | 52% | 0.524 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.7 | -8.7 | -178.1 | -65.9 | 170.5 | 0 | 0 | 0 | 114.8 | V13 F14 A15 | V13-L17 WeakPolarHBondContact O-CG 3.33Å; F14-L17 HydrophobicContact CD1-CB 4.3Å; F14-L17 HydrophobicContact CD1-CD1 4.35Å; F14-L17 HydrophobicContact CE1-CD1 4.43Å; F14-L17 CarbonylContact O-C 3.59Å; F14-L17 WeakPolarHBondContact O-CA 3.29Å; F14-L17 PolarHBondContact O-N 2.97Å; A15-L17 VanDerWaalsContact C-N 3.26Å |
| 18 | V | 42.5 | Very low | 37.4 | Very low | 63 Ų | 63 | 108.9 Ų | 108.9 | 38% | 0.382 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -90.2 | -11.7 | 174.8 | -179.5 | 0 | 0 | 0 | 0 | 112.7 | F14 P20 | F14-V18 WeakPolarHBondContact O-CG2 3.22Å; F14-V18 PolarHBondContact O-N 3.03Å; V18-P20 VanDerWaalsContact C-CD 3.45Å; V18-P20 WeakPolarHBondContact O-CD 3.44Å |
| 19 | F | 44 | Very low | 37.5 | Very low | 67 Ų | 67 | 107.3 Ų | 107.3 | 29% | 0.294 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -116.7 | 76.4 | 156.5 | -68.5 | -78.5 | 0 | 0 | 0 | 107.8 | G21 A57 I64 | F19-G21 PolarHBondContact O-N 3.05Å; F19-A57 HydrophobicContact CZ-CB 3.99Å; F19-I64 HydrophobicContact CD2-CD1 4.2Å |
| 20 | P | 34.7 | Very low | 37.7 | Very low | 81 Ų | 81 | 105.8 Ų | 105.8 | 53% | 0.526 | 64% | 0.638 | S | S | . | * | trans | -53 | 135.5 | 168.4 | 23.2 | -28.4 | 0 | 0 | 0 | 106.7 | V18 V22 | V18-P20 VanDerWaalsContact C-CD 3.45Å; V18-P20 WeakPolarHBondContact O-CD 3.44Å; P20-V22 HydrophobicContact CB-CG2 4.41Å; P20-V22 HydrophobicContact CG-CG2 4.01Å; P20-V22 WeakPolarHBondContact O-CG2 3.49Å; P20-V22 PolarHBondContact O-N 3.42Å | ||
| 21 | G | 42.2 | Very low | 38.2 | Very low | 82 Ų | 82 | 105.1 Ų | 105.1 | 85% | 0.845 | 63% | 0.634 | S | S | * | * | trans | -58.3 | 85.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | F19 P23 | F19-G21 PolarHBondContact O-N 3.05Å; G21-P23 WeakPolarHBondContact O-CD 3.47Å | ||
| 22 | V | 35.8 | Very low | 39.2 | Very low | 110 Ų | 110 | 105.3 Ų | 105.3 | 67% | 0.667 | 63% | 0.626 | S | S | * | * | trans | -79.2 | 118.3 | 177.8 | 175 | 0 | 0 | 0 | 0 | 105.7 | P20 A24 | P20-V22 HydrophobicContact CB-CG2 4.41Å; P20-V22 HydrophobicContact CG-CG2 4.01Å; P20-V22 WeakPolarHBondContact O-CG2 3.49Å; P20-V22 PolarHBondContact O-N 3.42Å; V22-A24 PolarHBondContact O-N 3.38Å | ||
| 23 | P | 31.4 | Very low | 40.7 | Very low | 109 Ų | 109 | 104.4 Ų | 104.4 | 71% | 0.708 | 63% | 0.632 | S | S | * | * | trans | -59.7 | 126.4 | 168.2 | 25.7 | -30.6 | 0 | 0 | 0 | 107.1 | G21 R25 | G21-P23 WeakPolarHBondContact O-CD 3.47Å; P23-R25 VanDerWaalsContact C-N 3.33Å; P23-R25 PolarHBondContact O-N 2.8Å | ||
| 24 | A | 35.5 | Very low | 43.1 | Very low | 110 Ų | 110 | 103.9 Ų | 103.9 | 91% | 0.909 | 63% | 0.626 | S | S | * | * | trans | -56.4 | 93.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110 | V22 | V22-A24 PolarHBondContact O-N 3.38Š| ||
| 25 | R | 32.3 | Very low | 45.8 | Very low | 234 Ų | 234 | 99.1 Ų | 99.1 | 88% | 0.883 | 61% | 0.607 | S | S | * | * | trans | -96.1 | 115.5 | 172.4 | -157.2 | 172.9 | -177 | -177 | 0.4 | 107.8 | P23 G27 | P23-R25 VanDerWaalsContact C-N 3.33Å; P23-R25 PolarHBondContact O-N 2.8Å; R25-G27 PolarHBondContact O-N 2.59Å; R25-G27 VanDerWaalsContact O-N 3.14Å | ||
| 26 | S | 40.8 | Very low | 48.5 | Very low | 122 Ų | 122 | 100 Ų | 100 | 85% | 0.853 | 61% | 0.608 | S | S | * | * | trans | -28.2 | 102.9 | -179.9 | 58.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 27 | G | 33.8 | Very low | 51.3 | Low | 63 Ų | 63 | 95.4 Ų | 95.4 | 65% | 0.649 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -136.8 | 106.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | R25 S29 | R25-G27 PolarHBondContact O-N 2.59Å; R25-G27 VanDerWaalsContact O-N 3.14Å; G27-S29 PolarHBondContact O-N 3.49Å |
| 28 | D | 39.3 | Very low | 53.9 | Low | 171 Ų | 171 | 96.2 Ų | 96.2 | 91% | 0.914 | 58% | 0.576 | S | S | * | * | trans | -3.6 | 87.5 | -177.9 | -80.4 | -29.9 | 0 | 0 | 0 | 115.4 | A30 | D28-A30 PolarHBondContact O-N 3.47Å; D28-A30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | S | 40.8 | Very low | 56.5 | Low | 72 Ų | 72 | 97.4 Ų | 97.4 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | trans | -71.8 | 100 | 159.1 | 58.4 | 0 | 0 | 0 | 0 | 106.7 | G27 L31 | G27-S29 PolarHBondContact O-N 3.49Å; S29-L31 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 2.72Å | ||
| 30 | A | 42.6 | Very low | 58.9 | Low | 83 Ų | 83 | 96 Ų | 96 | 69% | 0.686 | 58% | 0.582 | S | S | * | * | trans | -56.9 | 103.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 106.4 | D28 K32 | D28-A30 PolarHBondContact O-N 3.47Å; D28-A30 VanDerWaalsContact O-N 3.13Å; A30-K32 PolarHBondContact O-N 2.81Å | ||
| 31 | L | 44.5 | Very low | 61.8 | Low | 112 Ų | 112 | 96.3 Ų | 96.3 | 59% | 0.586 | 58% | 0.579 | S | S | * | * | trans | -62.6 | 102.6 | 176.4 | -169.6 | 77 | 0 | 0 | 0 | 106 | S29 | S29-L31 VanDerWaalsContact C-N 3.3Å; S29-L31 PolarHBondContact O-N 2.72Å | ||
| 32 | K | 56.3 | Low | 64.4 | Low | 78 Ų | 78 | 95 Ų | 95 | 34% | 0.339 | 56% | 0.556 | S | S | . | * | trans | -74.9 | 135.8 | 170.9 | -148.8 | 179.2 | -172.8 | -177.5 | 0 | 106 | A30 K46 S48 T117 V119 | A30-K32 PolarHBondContact O-N 2.81Å; K32-K46 PolarHBondContact NZ-O 3.28Å; K32-S48 PolarHBondContact NZ-OG 3.39Å; K32-T117 HydrophobicContact CB-CG2 3.85Å; K32-T117 HydrophobicContact CD-CG2 4.16Å; K32-V119 HydrophobicContact CB-CG2 4.36Å | ||
| 33 | D | 73.1 | Confident | 67.3 | Low | 140 Ų | 140 | 89.7 Ų | 89.7 | 75% | 0.749 | 53% | 0.525 | S | S | * | . | trans | -40.6 | 143.8 | -169.7 | -63.4 | -41.8 | 0 | 0 | 0 | 114.1 | I35 | D33-I35 PolarHBondContact O-N 3.44Š| ||
| 34 | N | 86.2 | Confident | 70.3 | Confident | 84 Ų | 84 | 86.7 Ų | 86.7 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | trans | -56.2 | 131.7 | 171.3 | -65.4 | -22.2 | 0 | 0 | 0 | 109.3 | I122 | N34-I122 HydrophobicContact CB-CD1 3.83Å; N34-I122 HydrophobicContact CB-CG1 4.48Å | ||
| 35 | I | 92.3 | Very high | 73 | Confident | 40 Ų | 40 | 81.5 Ų | 81.5 | 21% | 0.205 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 115.9 | 176.3 | -66.6 | -176.9 | 0 | 0 | 0 | 107.5 | D33 V37 V44 L45 V119 H120 L121 I122 | D33-I35 PolarHBondContact O-N 3.44Å; I35-V37 HydrophobicContact CG2-CG2 3.91Å; I35-V44 WeakPolarHBondContact CD1-O 3.22Å; I35-L45 HydrophobicContact CD1-CD2 3.77Å; I35-V119 HydrophobicContact CB-CG1 4.13Å; I35-V119 HydrophobicContact CD1-CG1 3.6Å; I35-V119 HydrophobicContact CG1-CG1 3.59Å; I35-H120 PolarHBondContact N-O 2.73Å; I35-L121 HydrophobicContact CG2-CD1 4.09Å; I35-L121 CarbonylContact O-C 3.49Å; I35-L121 WeakPolarHBondContact O-CA 3.26Å; I35-I122 PolarHBondContact O-N 2.73Å |
| 36 | T | 93.8 | Very high | 75.8 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 40% | 0.399 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.1 | -178.5 | -55.3 | 0 | 0 | 0 | 0 | 109.7 | I122 Q124 | T36-I122 WeakPolarHBondContact CA-O 3.15Å; T36-I122 HydrophobicContact CG2-CB 4.39Å; T36-I122 HydrophobicContact CG2-CG2 4.35Å; T36-Q124 HydrophobicContact CG2-CG 3.56Å; T36-Q124 VanDerWaalsContact CG2-NE2 3.26Å; T36-Q124 VanDerWaalsContact CG2-OE1 3.23Å |
| 37 | V | 95.5 | Very high | 78 | Confident | 18 Ų | 18 | 69.9 Ų | 69.9 | 11% | 0.109 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 143.4 | -175.1 | 175.3 | 0 | 0 | 0 | 0 | 109.7 | I35 D41 A43 V96 L121 I122 V123 Q124 | I35-V37 HydrophobicContact CG2-CG2 3.91Å; V37-D41 HydrophobicContact CG1-CB 3.65Å; V37-A43 HydrophobicContact CB-CB 4.38Å; V37-A43 HydrophobicContact CG1-CB 4.43Å; V37-A43 HydrophobicContact CG2-CB 3.82Å; V37-V96 HydrophobicContact CG1-CB 4.46Å; V37-V96 HydrophobicContact CG1-CG2 4.33Å; V37-L121 HydrophobicContact CB-CD1 4.38Å; V37-L121 HydrophobicContact CG2-CD1 4.28Å; V37-I122 PolarHBondContact N-O 3.46Å; V37-V123 WeakPolarHBondContact O-CA 3.38Å; V37-Q124 PolarHBondContact O-N 2.83Å |
| 38 | R | 95.2 | Very high | 80.5 | Confident | 117 Ų | 117 | 70.5 Ų | 70.5 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 145.3 | 175.1 | -63.7 | -179.4 | -179.2 | 159.1 | 2.5 | 110.4 | G40 D41 Q124 I199 | R38-G40 PolarHBondContact O-N 3.35Å; R38-D41 WeakPolarHBondContact O-CB 3.45Å; R38-D41 PolarHBondContact O-N 3.34Å; R38-Q124 CarbonylContact C-O 3.48Å; R38-Q124 WeakPolarHBondContact CA-O 3.4Å; R38-I199 HydrophobicContact CG-CG2 3.98Å; R38-I199 VanDerWaalsContact CZ-O 3.3Å; R38-I199 PolarHBondContact NE-O 3.13Å; R38-I199 PolarHBondContact NH2-O 3.08Å |
| 39 | Q | 96 | Very high | 82.4 | Confident | 88 Ų | 88 | 63.2 Ų | 63.2 | 41% | 0.411 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 132.9 | 174.4 | -174.4 | -177.1 | 22.2 | 0 | 0 | 110.5 | D41 V96 N97 V123 Q124 V125 | Q39-D41 VanDerWaalsContact C-N 3.34Å; Q39-V96 CarbonylContact C-O 3.53Å; Q39-V96 WeakPolarHBondContact CA-O 3.22Å; Q39-V96 WeakPolarHBondContact CG-O 3.4Å; Q39-N97 PolarHBondContact NE2-OD1 2.99Å; Q39-V123 HydrophobicContact CB-CG1 4.16Å; Q39-Q124 PolarHBondContact N-O 2.9Å; Q39-V125 HydrophobicContact CB-CG2 4.11Å |
| 40 | G | 95.2 | Very high | 83.9 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 38% | 0.381 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -21.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R38 N95 V96 | R38-G40 PolarHBondContact O-N 3.35Å; G40-N95 WeakPolarHBondContact CA-OD1 3.33Å; G40-N95 WeakPolarHBondContact O-CA 3.24Å; G40-V96 PolarHBondContact N-O 2.8Å |
| 41 | D | 96.1 | Very high | 84.9 | Confident | 87 Ų | 87 | 65.6 Ų | 65.6 | 47% | 0.465 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -77.3 | 174.1 | 176 | -69.2 | -14.2 | 0 | 0 | 0 | 111.3 | V37 R38 Q39 N95 V96 | V37-D41 HydrophobicContact CG1-CB 3.65Å; R38-D41 WeakPolarHBondContact O-CB 3.45Å; R38-D41 PolarHBondContact O-N 3.34Å; Q39-D41 VanDerWaalsContact C-N 3.34Å; D41-N95 PolarHBondContact O-N 3.37Å; D41-V96 WeakPolarHBondContact O-CB 3.48Å; D41-V96 VanDerWaalsContact O-CG2 3.27Å; D41-V96 WeakPolarHBondContact O-CG2 3.49Å; D41-V96 PolarHBondContact O-N 3.06Å |
| 42 | S | 96.5 | Very high | 86 | Confident | 54 Ų | 54 | 67.5 Ų | 67.5 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | trans | -97.2 | 132.9 | 173.5 | -66.9 | 0 | 0 | 0 | 0 | 111.7 | Q92 I93 | S42-Q92 PolarHBondContact OG-NE2 2.67Å; S42-Q92 VanDerWaalsContact OG-NE2 3.11Å; S42-I93 CarbonylContact C-O 3.52Å; S42-I93 VanDerWaalsContact CA-O 3.25Å; S42-I93 WeakPolarHBondContact CA-O 3.04Å | ||
| 43 | A | 96.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 132.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V37 Q92 I93 V96 L121 | V37-A43 HydrophobicContact CB-CB 4.38Å; V37-A43 HydrophobicContact CG1-CB 4.43Å; V37-A43 HydrophobicContact CG2-CB 3.82Å; A43-Q92 CarbonylContact O-C 3.59Å; A43-Q92 VanDerWaalsContact O-CA 3.25Å; A43-Q92 WeakPolarHBondContact O-CA 3.33Å; A43-I93 PolarHBondContact N-O 3.13Å; A43-I93 PolarHBondContact O-N 2.87Å; A43-V96 HydrophobicContact CB-CG2 3.74Å; A43-L121 HydrophobicContact CB-CD1 3.64Å; A43-L121 HydrophobicContact CB-CD2 4.34Å |
| 44 | V | 94.3 | Very high | 86.6 | Confident | 46 Ų | 46 | 62.3 Ų | 62.3 | 28% | 0.279 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 112.6 | 174.4 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | I35 K46 M81 Q92 | I35-V44 WeakPolarHBondContact CD1-O 3.22Å; V44-K46 HydrophobicContact CG1-CG 3.93Å; V44-M81 HydrophobicContact CB-SD 4.43Å; V44-M81 HydrophobicContact CG1-SD 3.44Å; V44-M81 WeakPolarHBondContact CG1-SD 3.45Å; V44-M81 HydrophobicContact CG2-SD 4.15Å; V44-Q92 HydrophobicContact CG2-CB 4.28Å; V44-Q92 HydrophobicContact CG2-CG 4.18Å |
| 45 | L | 92.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 111.3 | 178.9 | -52.4 | -178.1 | 0 | 0 | 0 | 109.2 | I35 W58 S90 I91 I93 Y104 V119 | I35-L45 HydrophobicContact CD1-CD2 3.77Å; L45-W58 HydrophobicContact CB-CH2 3.72Å; L45-W58 HydrophobicContact CB-CZ2 3.77Å; L45-W58 HydrophobicContact CB-CZ3 4.18Å; L45-W58 HydrophobicContact CD1-CZ3 4.41Å; L45-W58 WeakPolarHBondContact O-CZ2 3.38Å; L45-S90 VanDerWaalsContact O-CA 3.26Å; L45-S90 WeakPolarHBondContact O-CA 2.91Å; L45-I91 HydrophobicContact CB-CG1 3.94Å; L45-I91 HydrophobicContact CD1-CD1 4Å; L45-I91 HydrophobicContact CD1-CG1 4.13Å; L45-I91 HydrophobicContact CG-CG1 4.35Å; L45-I91 PolarHBondContact N-O 2.99Å; L45-I91 PolarHBondContact O-N 2.86Å; L45-I91 VanDerWaalsContact O-N 3.13Å; L45-I93 HydrophobicContact CD1-CD1 3.92Å; L45-Y104 HydrophobicContact CD1-CD1 3.48Å; L45-Y104 VanDerWaalsContact CD1-CD1 3.48Å; L45-Y104 HydrophobicContact CD1-CD2 4.15Å; L45-Y104 HydrophobicContact CD1-CE1 4.11Å; L45-Y104 HydrophobicContact CD1-CG 3.5Å; L45-V119 HydrophobicContact CD2-CG1 4.46Å |
| 46 | K | 90.1 | Very high | 86.3 | Confident | 111 Ų | 111 | 64 Ų | 64 | 48% | 0.483 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 119.8 | -172.3 | -65.8 | -175.5 | 172.2 | -170.7 | 0 | 113.4 | K32 V44 E88 S90 | K32-K46 PolarHBondContact NZ-O 3.28Å; V44-K46 HydrophobicContact CG1-CG 3.93Å; K46-E88 WeakPolarHBondContact CB-OE1 3.47Å; K46-E88 VanDerWaalsContact CD-OE1 3.27Å; K46-E88 WeakPolarHBondContact CD-OE1 3.23Å; K46-E88 VanDerWaalsContact CG-OE1 3.3Å; K46-E88 WeakPolarHBondContact CG-OE1 3.37Å; K46-S90 WeakPolarHBondContact CA-OG 3.5Å |
| 47 | C | 87.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.007 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 120.8 | 173.7 | -167.4 | 0 | 0 | 0 | 0 | 111.6 | W58 E88 Y89 C106 | C47-W58 HydrophobicContact CB-CH2 4.41Å; C47-W58 HydrophobicContact CB-CZ2 3.57Å; C47-E88 CarbonylContact O-C 3.49Å; C47-E88 WeakPolarHBondContact O-CA 3.39Å; C47-Y89 WeakPolarHBondContact CB-O 3.12Å; C47-Y89 PolarHBondContact N-O 2.83Å; C47-Y89 PolarHBondContact O-N 3.16Å; C47-C106 HydrophobicContact CB-CB 3.54Å; C47-C106 WeakPolarHBondContact CB-SG 3.48Å; C47-C106 WeakPolarHBondContact SG-CB 3.21Å; C47-C106 CovalentContact SG-SG 2.01Å; C47-C106 PolarHBondContact SG-SG 3.28Å |
| 48 | S | 85.5 | Confident | 86.2 | Confident | 76 Ų | 76 | 60.1 Ų | 60.1 | 53% | 0.531 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 126.3 | 177.1 | -53.4 | 0 | 0 | 0 | 0 | 109.6 | K32 | K32-S48 PolarHBondContact NZ-OG 3.39Å |
| 49 | V | 79.8 | Confident | 86.1 | Confident | 19 Ų | 19 | 55.9 Ų | 55.9 | 12% | 0.115 | 31% | 0.309 | C | S | . | . | trans | -116.6 | 129.4 | -171.6 | -173 | 0 | 0 | 0 | 0 | 108.5 | V53 V56 T87 I108 | V49-V53 HydrophobicContact CG1-CB 3.68Å; V49-V53 HydrophobicContact CG1-CG1 3.88Å; V49-V53 HydrophobicContact CG1-CG2 3.48Å; V49-V53 VanDerWaalsContact CG1-CG2 3.48Å; V49-V56 HydrophobicContact CG2-CG2 4.46Å; V49-T87 PolarHBondContact N-O 3.3Å; V49-T87 CarbonylContact O-C 3.57Å; V49-T87 VanDerWaalsContact O-CA 3.32Å; V49-T87 WeakPolarHBondContact O-CA 3.23Å; V49-T87 WeakPolarHBondContact O-CB 3.35Å; V49-I108 HydrophobicContact CG2-CD1 4.49Å | ||
| 50 | D | 72.4 | Confident | 86 | Confident | 102 Ų | 102 | 53.3 Ų | 53.3 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | trans | -77.2 | 156.2 | 174.8 | -168.7 | -3.5 | 0 | 0 | 0 | 110.4 | K52 V53 | D50-K52 PolarHBondContact O-N 2.88Å; D50-V53 VanDerWaalsContact O-CG2 3.25Å; D50-V53 WeakPolarHBondContact O-CG2 3.26Å | ||
| 51 | S | 63.4 | Low | 85.7 | Confident | 103 Ų | 103 | 58.9 Ų | 58.9 | 72% | 0.72 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -56.9 | -13.3 | -178.7 | 58.3 | 0 | 0 | 0 | 0 | 116 | ||
| 52 | K | 68.4 | Low | 85.3 | Confident | 152 Ų | 152 | 60.7 Ų | 60.7 | 66% | 0.661 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -119 | 59.7 | -178.5 | -63.3 | -177.3 | -177.6 | 179.1 | 0 | 112.3 | D50 | D50-K52 PolarHBondContact O-N 2.88Š|
| 53 | V | 67.8 | Low | 85.1 | Confident | 42 Ų | 42 | 62 Ų | 62 | 26% | 0.255 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.6 | 179.8 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | V49 D50 R55 V56 I108 T110 | V49-V53 HydrophobicContact CG1-CB 3.68Å; V49-V53 HydrophobicContact CG1-CG1 3.88Å; V49-V53 HydrophobicContact CG1-CG2 3.48Å; V49-V53 VanDerWaalsContact CG1-CG2 3.48Å; D50-V53 VanDerWaalsContact O-CG2 3.25Å; D50-V53 WeakPolarHBondContact O-CG2 3.26Å; V53-R55 WeakPolarHBondContact CG1-O 3.42Å; V53-V56 HydrophobicContact CG1-CB 4.5Å; V53-I108 HydrophobicContact CB-CG2 4.24Å; V53-I108 HydrophobicContact CG1-CG2 3.73Å; V53-I108 HydrophobicContact CG2-CG2 3.42Å; V53-I108 VanDerWaalsContact CG2-CG2 3.42Å; V53-T110 HydrophobicContact CG2-CG2 4.32Å |
| 54 | S | 72.6 | Confident | 85 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 46% | 0.462 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -39.3 | 179.3 | 63.5 | 0 | 0 | 0 | 0 | 112.3 | L109 | S54-L109 PolarHBondContact N-O 2.94Å; S54-L109 WeakPolarHBondContact OG-CG 3.46Å; S54-L109 PolarHBondContact OG-O 2.82Å; S54-L109 VanDerWaalsContact OG-O 3.07Å |
| 55 | R | 84.2 | Confident | 85.1 | Confident | 142 Ų | 142 | 62.3 Ų | 62.3 | 54% | 0.536 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 147.2 | 177.9 | -59.2 | -174.7 | -179.9 | -153.6 | -2 | 110.5 | V53 L109 | V53-R55 WeakPolarHBondContact CG1-O 3.42Å; R55-L109 HydrophobicContact CB-CB 4.1Å; R55-L109 HydrophobicContact CG-CD2 4.46Å; R55-L109 PolarHBondContact O-N 2.81Å |
| 56 | V | 88.8 | Confident | 85.2 | Confident | 19 Ų | 19 | 62.8 Ų | 62.8 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 142 | 174.5 | 64.8 | 0 | 0 | 0 | 0 | 109.7 | V49 V53 A67 G68 Y89 S107 I108 | V49-V56 HydrophobicContact CG2-CG2 4.46Å; V53-V56 HydrophobicContact CG1-CB 4.5Å; V56-A67 CarbonylContact O-C 3.56Å; V56-G68 PolarHBondContact O-N 3.49Å; V56-Y89 HydrophobicContact CB-CD1 4.15Å; V56-Y89 HydrophobicContact CB-CE1 4.34Å; V56-Y89 HydrophobicContact CB-CG 4.38Å; V56-Y89 HydrophobicContact CG1-CD1 3.75Å; V56-Y89 HydrophobicContact CG1-CD2 3.69Å; V56-Y89 HydrophobicContact CG1-CE1 3.84Å; V56-Y89 HydrophobicContact CG1-CE2 3.81Å; V56-Y89 HydrophobicContact CG1-CG 3.65Å; V56-Y89 HydrophobicContact CG2-CD1 3.3Å; V56-Y89 HydrophobicContact CG2-CE1 3.76Å; V56-Y89 HydrophobicContact CG2-CG 3.8Å; V56-S107 CarbonylContact C-O 3.52Å; V56-S107 WeakPolarHBondContact CA-O 3.46Å; V56-I108 HydrophobicContact CG2-CG1 4Å |
| 57 | A | 92.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 145.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F19 L59 F66 A67 C106 S107 | F19-A57 HydrophobicContact CZ-CB 3.99Å; A57-L59 HydrophobicContact CB-CD1 4.15Å; A57-F66 CarbonylContact C-O 3.54Å; A57-F66 WeakPolarHBondContact CA-O 3.49Å; A57-F66 VanDerWaalsContact CB-O 3.31Å; A57-F66 WeakPolarHBondContact CB-O 3.46Å; A57-A67 HydrophobicContact CB-CB 4.25Å; A57-C106 CarbonylContact O-C 3.54Å; A57-C106 WeakPolarHBondContact O-CA 3.34Å; A57-S107 PolarHBondContact N-O 2.79Å; A57-S107 PolarHBondContact O-N 2.84Å |
| 58 | W | 94.8 | Very high | 85.3 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133.6 | 167.2 | -88.9 | 109.3 | 0 | 0 | 0 | 109.9 | L45 C47 L65 F66 Y89 I91 C106 V119 | L45-W58 HydrophobicContact CB-CH2 3.72Å; L45-W58 HydrophobicContact CB-CZ2 3.77Å; L45-W58 HydrophobicContact CB-CZ3 4.18Å; L45-W58 HydrophobicContact CD1-CZ3 4.41Å; L45-W58 WeakPolarHBondContact O-CZ2 3.38Å; C47-W58 HydrophobicContact CB-CH2 4.41Å; C47-W58 HydrophobicContact CB-CZ2 3.57Å; W58-L65 HydrophobicContact CB-CB 4.43Å; W58-L65 WeakPolarHBondContact O-CB 3.39Å; W58-L65 PolarHBondContact O-N 3.3Å; W58-F66 PolarHBondContact N-O 2.63Å; W58-F66 PolarHBondContact O-N 2.83Å; W58-Y89 AromaticContact CD1-CD1 3.46Å; W58-Y89 VanDerWaalsContact CD1-CD1 3.46Å; W58-Y89 AromaticContact CD1-CE1 3.3Å; W58-Y89 HydrophobicContact CG-CE1 4.2Å; W58-Y89 AromaticContact NE1-CD1 3.61Å; W58-Y89 AromaticContact NE1-CE1 3.97Å; W58-Y89 PolarHBondContact NE1-O 2.75Å; W58-I91 HydrophobicContact CB-CD1 3.7Å; W58-I91 HydrophobicContact CB-CG1 4.36Å; W58-I91 HydrophobicContact CB-CG2 4.43Å; W58-I91 HydrophobicContact CD2-CD1 4.05Å; W58-I91 HydrophobicContact CD2-CG1 4.06Å; W58-I91 HydrophobicContact CG-CD1 3.68Å; W58-I91 HydrophobicContact CG-CG1 3.83Å; W58-I91 HydrophobicContact CG-CG2 4.13Å; W58-C106 HydrophobicContact CD2-CB 4.03Å; W58-C106 HydrophobicContact CE3-CB 3.97Å; W58-C106 HydrophobicContact CH2-CB 3.77Å; W58-C106 HydrophobicContact CZ2-CB 3.84Å; W58-C106 HydrophobicContact CZ3-CB 3.83Å; W58-V119 HydrophobicContact CH2-CG2 4.38Å |
| 59 | L | 93.9 | Very high | 85.4 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 140.3 | 178.6 | -60.3 | 87.2 | 0 | 0 | 0 | 110.2 | A57 T63 I64 Y104 V105 | A57-L59 HydrophobicContact CB-CD1 4.15Å; L59-T63 CarbonylContact C-O 3.53Å; L59-T63 WeakPolarHBondContact CA-O 3.48Å; L59-T63 WeakPolarHBondContact CB-O 3.38Å; L59-I64 HydrophobicContact CD2-CG1 4.25Å; L59-I64 HydrophobicContact CG-CG1 4.34Å; L59-Y104 CarbonylContact O-C 3.56Å; L59-Y104 VanDerWaalsContact O-CA 3.28Å; L59-Y104 WeakPolarHBondContact O-CA 3.47Å; L59-V105 HydrophobicContact CB-CB 4.44Å; L59-V105 PolarHBondContact N-O 2.99Å; L59-V105 PolarHBondContact O-N 2.57Å |
| 60 | N | 93.8 | Very high | 86 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 19% | 0.187 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 110.4 | 162.2 | 179.7 | -3.8 | 0 | 0 | 0 | 107.4 | T62 T63 L65 Y104 | N60-T62 PolarHBondContact O-N 3.45Å; N60-T63 PolarHBondContact N-O 2.87Å; N60-T63 PolarHBondContact O-N 2.95Å; N60-T63 PolarHBondContact O-OG1 2.8Å; N60-L65 HydrophobicContact CB-CD1 4.06Å; N60-L65 HydrophobicContact CB-CD2 3.95Å; N60-L65 HydrophobicContact CB-CG 4.08Å; N60-Y104 HydrophobicContact CB-CD1 4.02Å; N60-Y104 HydrophobicContact CB-CE1 3.71Å |
| 61 | R | 88 | Confident | 87 | Confident | 154 Ų | 154 | 66.7 Ų | 66.7 | 58% | 0.581 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | -95.7 | -171 | -58.1 | 163.4 | -173.8 | -99.8 | -2.2 | 111.4 | E101 P103 | R61-E101 PolarHBondContact NH2-O 2.94Å; R61-P103 HydrophobicContact CG-CG 4Å; R61-P103 PolarHBondContact N-O 2.99Å |
| 62 | T | 88.4 | Confident | 88.6 | Confident | 125 Ų | 125 | 67.2 Ų | 67.2 | 77% | 0.767 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -8.4 | 178.6 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | N60 | N60-T62 PolarHBondContact O-N 3.45Š|
| 63 | T | 93 | Very high | 89.8 | Confident | 80 Ų | 80 | 61.1 Ų | 61.1 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 133.8 | -177.8 | 60.8 | 0 | 0 | 0 | 0 | 110.5 | L59 N60 L65 | L59-T63 CarbonylContact C-O 3.53Å; L59-T63 WeakPolarHBondContact CA-O 3.48Å; L59-T63 WeakPolarHBondContact CB-O 3.38Å; N60-T63 PolarHBondContact N-O 2.87Å; N60-T63 PolarHBondContact O-N 2.95Å; N60-T63 PolarHBondContact O-OG1 2.8Å; T63-L65 PolarHBondContact O-N 2.94Å |
| 64 | I | 93.9 | Very high | 91.1 | Very high | 46 Ų | 46 | 67.4 Ų | 67.4 | 24% | 0.236 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 124.7 | 177.3 | -57.6 | 174.4 | 0 | 0 | 0 | 108.3 | F19 L59 A67 W72 | F19-I64 HydrophobicContact CD2-CD1 4.2Å; L59-I64 HydrophobicContact CD2-CG1 4.25Å; L59-I64 HydrophobicContact CG-CG1 4.34Å; I64-A67 HydrophobicContact CG2-CB 4.24Å; I64-W72 HydrophobicContact CB-CB 4.21Å; I64-W72 HydrophobicContact CB-CG 4.35Å; I64-W72 HydrophobicContact CG2-CB 3.95Å; I64-W72 HydrophobicContact CG2-CD2 4.41Å; I64-W72 HydrophobicContact CG2-CG 3.85Å; I64-W72 VanDerWaalsContact O-CB 3.28Å; I64-W72 WeakPolarHBondContact O-CB 3.44Å |
| 65 | L | 95.9 | Very high | 92.2 | Very high | 8 Ų | 8 | 66.3 Ų | 66.3 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -48.8 | 173.2 | -60.6 | 178.5 | 0 | 0 | 0 | 110.8 | W58 N60 T63 W72 S73 V78 I91 Y104 | W58-L65 HydrophobicContact CB-CB 4.43Å; W58-L65 WeakPolarHBondContact O-CB 3.39Å; W58-L65 PolarHBondContact O-N 3.3Å; N60-L65 HydrophobicContact CB-CD1 4.06Å; N60-L65 HydrophobicContact CB-CD2 3.95Å; N60-L65 HydrophobicContact CB-CG 4.08Å; T63-L65 PolarHBondContact O-N 2.94Å; L65-W72 PolarHBondContact O-N 2.9Å; L65-S73 PolarHBondContact O-N 3.2Å; L65-V78 HydrophobicContact CB-CG1 4.37Å; L65-V78 HydrophobicContact CD1-CG1 4.28Å; L65-I91 HydrophobicContact CD1-CD1 3.63Å; L65-Y104 HydrophobicContact CD1-CD1 3.9Å; L65-Y104 HydrophobicContact CD1-CE1 3.88Å |
| 66 | F | 94.7 | Very high | 92.8 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 4% | 0.044 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 145.3 | 178.4 | -83.8 | -92.3 | 0 | 0 | 0 | 110.1 | A57 W58 E70 K71 V78 L80 Y89 I91 | A57-F66 CarbonylContact C-O 3.54Å; A57-F66 WeakPolarHBondContact CA-O 3.49Å; A57-F66 VanDerWaalsContact CB-O 3.31Å; A57-F66 WeakPolarHBondContact CB-O 3.46Å; W58-F66 PolarHBondContact N-O 2.63Å; W58-F66 PolarHBondContact O-N 2.83Å; F66-E70 VanDerWaalsContact CA-O 3.29Å; F66-E70 WeakPolarHBondContact CA-O 3.37Å; F66-E70 WeakPolarHBondContact CD1-O 3.31Å; F66-K71 HydrophobicContact CD1-CB 4Å; F66-K71 HydrophobicContact CD1-CG 4.44Å; F66-K71 HydrophobicContact CE1-CB 3.44Å; F66-K71 VanDerWaalsContact CE1-CB 3.44Å; F66-K71 HydrophobicContact CE1-CD 4.27Å; F66-K71 HydrophobicContact CE1-CG 3.82Å; F66-K71 HydrophobicContact CE2-CB 4.45Å; F66-K71 HydrophobicContact CE2-CD 4.2Å; F66-K71 HydrophobicContact CE2-CG 3.93Å; F66-K71 HydrophobicContact CZ-CB 3.71Å; F66-K71 HydrophobicContact CZ-CD 3.66Å; F66-K71 HydrophobicContact CZ-CG 3.53Å; F66-V78 HydrophobicContact CD2-CG1 4.15Å; F66-V78 HydrophobicContact CE2-CB 4.45Å; F66-V78 HydrophobicContact CE2-CG1 3.84Å; F66-L80 HydrophobicContact CD1-CB 4.09Å; F66-L80 HydrophobicContact CD1-CD2 4.48Å; F66-L80 HydrophobicContact CE1-CB 3.65Å; F66-L80 HydrophobicContact CZ-CB 3.89Å; F66-Y89 VanDerWaalsContact CB-OH 3.3Å; F66-Y89 WeakPolarHBondContact CB-OH 3.37Å; F66-I91 HydrophobicContact CD2-CG2 3.91Å; F66-I91 HydrophobicContact CE2-CG2 4.45Å; F66-I91 HydrophobicContact CG-CG2 4.36Å |
| 67 | A | 91.9 | Very high | 93.2 | Very high | 23 Ų | 23 | 66.1 Ų | 66.1 | 19% | 0.19 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 108.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | V56 A57 I64 T69 E70 | V56-A67 CarbonylContact O-C 3.56Å; A57-A67 HydrophobicContact CB-CB 4.25Å; I64-A67 HydrophobicContact CG2-CB 4.24Å; A67-T69 PolarHBondContact O-N 2.84Å; A67-E70 PolarHBondContact N-O 2.92Å; A67-E70 WeakPolarHBondContact O-CB 3Å; A67-E70 PolarHBondContact O-N 3.04Å |
| 68 | G | 88.1 | Confident | 93.5 | Very high | 28 Ų | 28 | 66.3 Ų | 66.3 | 29% | 0.289 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | -125.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V56 Y89 | V56-G68 PolarHBondContact O-N 3.49Å; G68-Y89 PolarHBondContact N-OH 2.78Å; G68-Y89 VanDerWaalsContact O-CE2 3.24Å; G68-Y89 WeakPolarHBondContact O-CE2 3.33Å; G68-Y89 PolarHBondContact O-OH 2.96Å |
| 69 | T | 88.5 | Confident | 93.5 | Very high | 126 Ų | 126 | 68.8 Ų | 68.8 | 77% | 0.773 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -7.3 | 176.3 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | A67 L80 | A67-T69 PolarHBondContact O-N 2.84Å; T69-L80 HydrophobicContact CG2-CD2 4.46Å |
| 70 | E | 91.3 | Very high | 93.4 | Very high | 123 Ų | 123 | 69.2 Ų | 69.2 | 58% | 0.575 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 125 | -178.1 | -62.3 | 179.3 | 176 | 0 | 0 | 110.8 | F66 A67 | F66-E70 VanDerWaalsContact CA-O 3.29Å; F66-E70 WeakPolarHBondContact CA-O 3.37Å; F66-E70 WeakPolarHBondContact CD1-O 3.31Å; A67-E70 PolarHBondContact N-O 2.92Å; A67-E70 WeakPolarHBondContact O-CB 3Å; A67-E70 PolarHBondContact O-N 3.04Å |
| 71 | K | 94.5 | Very high | 93.2 | Very high | 91 Ų | 91 | 70.4 Ų | 70.4 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 120.2 | 173.5 | -173.6 | 171.8 | 176.1 | 166.4 | 0 | 110 | F66 S73 D75 V78 | F66-K71 HydrophobicContact CD1-CB 4Å; F66-K71 HydrophobicContact CD1-CG 4.44Å; F66-K71 HydrophobicContact CE1-CB 3.44Å; F66-K71 VanDerWaalsContact CE1-CB 3.44Å; F66-K71 HydrophobicContact CE1-CD 4.27Å; F66-K71 HydrophobicContact CE1-CG 3.82Å; F66-K71 HydrophobicContact CE2-CB 4.45Å; F66-K71 HydrophobicContact CE2-CD 4.2Å; F66-K71 HydrophobicContact CE2-CG 3.93Å; F66-K71 HydrophobicContact CZ-CB 3.71Å; F66-K71 HydrophobicContact CZ-CD 3.66Å; F66-K71 HydrophobicContact CZ-CG 3.53Å; K71-S73 WeakPolarHBondContact CE-O 3.27Å; K71-S73 WeakPolarHBondContact CG-O 3.43Å; K71-D75 VanDerWaalsContact CE-O 3.3Å; K71-D75 WeakPolarHBondContact CE-O 3.43Å; K71-D75 PolarHBondContact NZ-O 3.1Å; K71-V78 VanDerWaalsContact CE-O 3.31Å; K71-V78 WeakPolarHBondContact CE-O 3.36Å; K71-V78 PolarHBondContact NZ-O 2.96Å |
| 72 | W | 95.3 | Very high | 92.5 | Very high | 114 Ų | 114 | 71.5 Ų | 71.5 | 43% | 0.432 | 38% | 0.382 | S | S | . | . | trans | -102.2 | -27.7 | 176.7 | -75.2 | 70.2 | 0 | 0 | 0 | 112.3 | I64 L65 | I64-W72 HydrophobicContact CB-CB 4.21Å; I64-W72 HydrophobicContact CB-CG 4.35Å; I64-W72 HydrophobicContact CG2-CB 3.95Å; I64-W72 HydrophobicContact CG2-CD2 4.41Å; I64-W72 HydrophobicContact CG2-CG 3.85Å; I64-W72 VanDerWaalsContact O-CB 3.28Å; I64-W72 WeakPolarHBondContact O-CB 3.44Å; L65-W72 PolarHBondContact O-N 2.9Å | ||
| 73 | S | 95 | Very high | 91 | Very high | 23 Ų | 23 | 73.3 Ų | 73.3 | 16% | 0.161 | 39% | 0.387 | C | S | . | . | trans | -66.9 | 133.6 | 173.8 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | L65 K71 D75 | L65-S73 PolarHBondContact O-N 3.2Å; K71-S73 WeakPolarHBondContact CE-O 3.27Å; K71-S73 WeakPolarHBondContact CG-O 3.43Å; S73-D75 VanDerWaalsContact C-N 3.25Å; S73-D75 WeakPolarHBondContact OG-CB 3.34Å; S73-D75 PolarHBondContact OG-N 2.82Å; S73-D75 VanDerWaalsContact OG-N 3.12Å | ||
| 74 | L | 94.9 | Very high | 89.4 | Confident | 174 Ų | 174 | 71.5 Ų | 71.5 | 91% | 0.911 | 38% | 0.376 | S | S | * | . | trans | -78.7 | -10.8 | 169.4 | -60.9 | 178.5 | 0 | 0 | 0 | 112.7 | P76 | L74-P76 WeakPolarHBondContact O-CD 3.45Š| ||
| 75 | D | 96.1 | Very high | 87.9 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 24% | 0.235 | 39% | 0.389 | C | S | . | . | trans | -73 | 116.3 | -179.3 | -171.3 | -20.5 | 0 | 0 | 0 | 110.2 | K71 S73 R77 V78 | K71-D75 VanDerWaalsContact CE-O 3.3Å; K71-D75 WeakPolarHBondContact CE-O 3.43Å; K71-D75 PolarHBondContact NZ-O 3.1Å; S73-D75 VanDerWaalsContact C-N 3.25Å; S73-D75 WeakPolarHBondContact OG-CB 3.34Å; S73-D75 PolarHBondContact OG-N 2.82Å; S73-D75 VanDerWaalsContact OG-N 3.12Å; D75-R77 PolarHBondContact O-N 2.94Å; D75-R77 WeakPolarHBondContact OD1-CB 3.3Å; D75-R77 VanDerWaalsContact OD1-CG 3.27Å; D75-R77 WeakPolarHBondContact OD1-CG 3.45Å; D75-R77 PolarHBondContact OD1-N 3.26Å; D75-R77 IonicContact OD1-NE 3.19Å; D75-R77 PolarHBondContact OD1-NE 2.88Å; D75-R77 IonicContact OD2-CZ 3.33Å; D75-R77 IonicContact OD2-NE 3.1Å; D75-R77 PolarHBondContact OD2-NE 2.85Å; D75-R77 VanDerWaalsContact OD2-NE 3.1Å; D75-R77 IonicContact OD2-NH2 2.73Å; D75-R77 PolarHBondContact OD2-NH2 2.83Å; D75-V78 HydrophobicContact CB-CG2 4Å; D75-V78 PolarHBondContact O-N 3.11Å | ||
| 76 | P | 96.3 | Very high | 86.4 | Confident | 103 Ų | 103 | 80.4 Ų | 80.4 | 67% | 0.669 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -23.4 | -179.7 | 27.4 | -35.3 | 0 | 0 | 0 | 112.7 | L74 V78 | L74-P76 WeakPolarHBondContact O-CD 3.45Å; P76-V78 VanDerWaalsContact C-N 3.25Å; P76-V78 PolarHBondContact O-N 3.47Å |
| 77 | R | 97.5 | Very high | 85.4 | Confident | 53 Ų | 53 | 83.7 Ų | 83.7 | 20% | 0.2 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -22.1 | -178.7 | -59 | 178.6 | -57.7 | 144.3 | 4.6 | 113.4 | D75 I93 Q94 N95 D100 | D75-R77 PolarHBondContact O-N 2.94Å; D75-R77 WeakPolarHBondContact OD1-CB 3.3Å; D75-R77 VanDerWaalsContact OD1-CG 3.27Å; D75-R77 WeakPolarHBondContact OD1-CG 3.45Å; D75-R77 PolarHBondContact OD1-N 3.26Å; D75-R77 IonicContact OD1-NE 3.19Å; D75-R77 PolarHBondContact OD1-NE 2.88Å; D75-R77 IonicContact OD2-CZ 3.33Å; D75-R77 IonicContact OD2-NE 3.1Å; D75-R77 PolarHBondContact OD2-NE 2.85Å; D75-R77 VanDerWaalsContact OD2-NE 3.1Å; D75-R77 IonicContact OD2-NH2 2.73Å; D75-R77 PolarHBondContact OD2-NH2 2.83Å; R77-I93 WeakPolarHBondContact O-CA 3.31Å; R77-Q94 HydrophobicContact CB-CB 4.4Å; R77-Q94 WeakPolarHBondContact CB-O 3.05Å; R77-Q94 WeakPolarHBondContact CD-O 3.39Å; R77-Q94 PolarHBondContact O-N 3.35Å; R77-N95 PolarHBondContact NH1-O 2.92Å; R77-D100 IonicContact CZ-OD1 3.71Å; R77-D100 IonicContact CZ-OD2 3.42Å; R77-D100 IonicContact NH1-OD1 3.72Å; R77-D100 IonicContact NH1-OD2 2.73Å; R77-D100 PolarHBondContact NH1-OD2 2.84Å; R77-D100 IonicContact NH2-OD1 2.79Å; R77-D100 PolarHBondContact NH2-OD1 3.47Å; R77-D100 IonicContact NH2-OD2 3.27Å; R77-D100 PolarHBondContact NH2-OD2 3.38Å |
| 78 | V | 96.8 | Very high | 85 | Confident | 5 Ų | 5 | 85 Ų | 85 | 3% | 0.03 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 113.8 | -179.8 | -167.2 | 0 | 0 | 0 | 0 | 109 | L65 F66 K71 D75 P76 I91 Q92 I93 | L65-V78 HydrophobicContact CB-CG1 4.37Å; L65-V78 HydrophobicContact CD1-CG1 4.28Å; F66-V78 HydrophobicContact CD2-CG1 4.15Å; F66-V78 HydrophobicContact CE2-CB 4.45Å; F66-V78 HydrophobicContact CE2-CG1 3.84Å; K71-V78 VanDerWaalsContact CE-O 3.31Å; K71-V78 WeakPolarHBondContact CE-O 3.36Å; K71-V78 PolarHBondContact NZ-O 2.96Å; D75-V78 HydrophobicContact CB-CG2 4Å; D75-V78 PolarHBondContact O-N 3.11Å; P76-V78 VanDerWaalsContact C-N 3.25Å; P76-V78 PolarHBondContact O-N 3.47Å; V78-I91 HydrophobicContact CG1-CD1 4.13Å; V78-Q92 WeakPolarHBondContact CA-O 3.28Å; V78-I93 HydrophobicContact CG1-CG1 4.49Å; V78-I93 HydrophobicContact CG2-CG1 4.43Å |
| 79 | I | 95.3 | Very high | 85 | Confident | 53 Ų | 53 | 84.8 Ų | 84.8 | 27% | 0.272 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 145.5 | -177.3 | 62.3 | 171.3 | 0 | 0 | 0 | 110.6 | I91 Q92 Q94 | I79-I91 CarbonylContact O-C 3.57Å; I79-I91 VanDerWaalsContact O-CA 3.28Å; I79-I91 WeakPolarHBondContact O-CA 3.3Å; I79-I91 WeakPolarHBondContact O-CB 3.18Å; I79-Q92 HydrophobicContact CD1-CB 4.05Å; I79-Q92 HydrophobicContact CD1-CG 4.23Å; I79-Q92 HydrophobicContact CG1-CB 3.69Å; I79-Q92 HydrophobicContact CG1-CG 4.23Å; I79-Q92 WeakPolarHBondContact CG1-O 3.32Å; I79-Q92 PolarHBondContact N-O 2.05Å; I79-Q92 PolarHBondContact O-N 2.97Å; I79-Q94 HydrophobicContact CD1-CG 4.35Å |
| 80 | L | 92.9 | Very high | 85.2 | Confident | 35 Ų | 35 | 78.8 Ų | 78.8 | 18% | 0.183 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 135.2 | 170.9 | -175 | 66.4 | 0 | 0 | 0 | 108.9 | F66 T69 E82 Y89 I91 | F66-L80 HydrophobicContact CD1-CB 4.09Å; F66-L80 HydrophobicContact CD1-CD2 4.48Å; F66-L80 HydrophobicContact CE1-CB 3.65Å; F66-L80 HydrophobicContact CZ-CB 3.89Å; T69-L80 HydrophobicContact CG2-CD2 4.46Å; L80-E82 PolarHBondContact O-N 3Å; L80-Y89 HydrophobicContact CD1-CD2 4.04Å; L80-Y89 HydrophobicContact CD1-CE2 3.47Å; L80-Y89 VanDerWaalsContact CD1-CE2 3.47Å; L80-Y89 HydrophobicContact CD2-CE2 4.44Å; L80-I91 HydrophobicContact CD1-CG2 3.93Å |
| 81 | M | 89.9 | Confident | 85.3 | Confident | 61 Ų | 61 | 73 Ų | 73 | 30% | 0.3 | 38% | 0.38 | S | S | . | . | trans | -86 | 110 | 176.5 | -61.3 | -167.2 | 75.6 | 0 | 0 | 109.8 | V44 N83 T84 S90 Q92 | V44-M81 HydrophobicContact CB-SD 4.43Å; V44-M81 HydrophobicContact CG1-SD 3.44Å; V44-M81 WeakPolarHBondContact CG1-SD 3.45Å; V44-M81 HydrophobicContact CG2-SD 4.15Å; M81-N83 VanDerWaalsContact C-N 3.35Å; M81-N83 PolarHBondContact O-N 2.69Å; M81-T84 HydrophobicContact CB-CG2 4.36Å; M81-S90 WeakPolarHBondContact CB-O 3.45Å; M81-S90 PolarHBondContact N-O 2.75Å; M81-Q92 HydrophobicContact CG-CB 4.14Å; M81-Q92 HydrophobicContact SD-CB 4.26Å | ||
| 82 | E | 72.2 | Confident | 85.3 | Confident | 176 Ų | 176 | 70.5 Ų | 70.5 | 82% | 0.822 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -7.4 | -173.4 | -67.7 | -178.2 | 163.7 | 0 | 0 | 114.6 | L80 | L80-E82 PolarHBondContact O-N 3Š|
| 83 | N | 57.6 | Low | 85.4 | Confident | 164 Ų | 164 | 65.2 Ų | 65.2 | 88% | 0.877 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | 24.9 | -170 | -74.6 | -23.8 | 0 | 0 | 0 | 115.2 | M81 | M81-N83 VanDerWaalsContact C-N 3.35Å; M81-N83 PolarHBondContact O-N 2.69Å |
| 84 | T | 59.6 | Low | 85.5 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 26% | 0.258 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -89.7 | 153.5 | 173.8 | 51.7 | 0 | 0 | 0 | 0 | 110.7 | M81 E88 | M81-T84 HydrophobicContact CB-CG2 4.36Å; T84-E88 HydrophobicContact CG2-CG 4.28Å; T84-E88 PolarHBondContact OG1-O 2.74Å |
| 85 | A | 60.7 | Low | 85.6 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 51% | 0.512 | 35% | 0.345 | S | S | . | . | trans | -49.4 | 153.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T87 E88 | A85-T87 PolarHBondContact O-N 2.97Å; A85-E88 PolarHBondContact O-N 2.97Å | ||
| 86 | I | 65.1 | Low | 85.7 | Confident | 178 Ų | 178 | 62.8 Ų | 62.8 | 91% | 0.913 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -20.3 | 179.7 | -60.5 | 169.8 | 0 | 0 | 0 | 112.6 | ||
| 87 | T | 74.1 | Confident | 85.7 | Confident | 80 Ų | 80 | 60.6 Ų | 60.6 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 11 | 179.6 | 55.4 | 0 | 0 | 0 | 0 | 114.7 | V49 A85 | V49-T87 PolarHBondContact N-O 3.3Å; V49-T87 CarbonylContact O-C 3.57Å; V49-T87 VanDerWaalsContact O-CA 3.32Å; V49-T87 WeakPolarHBondContact O-CA 3.23Å; V49-T87 WeakPolarHBondContact O-CB 3.35Å; A85-T87 PolarHBondContact O-N 2.97Å |
| 88 | E | 83.9 | Confident | 85.6 | Confident | 50 Ų | 50 | 60.2 Ų | 60.2 | 23% | 0.234 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 130.4 | -178.6 | -178.2 | 173.5 | -141.9 | 0 | 0 | 112 | K46 C47 T84 A85 S90 | K46-E88 WeakPolarHBondContact CB-OE1 3.47Å; K46-E88 VanDerWaalsContact CD-OE1 3.27Å; K46-E88 WeakPolarHBondContact CD-OE1 3.23Å; K46-E88 VanDerWaalsContact CG-OE1 3.3Å; K46-E88 WeakPolarHBondContact CG-OE1 3.37Å; C47-E88 CarbonylContact O-C 3.49Å; C47-E88 WeakPolarHBondContact O-CA 3.39Å; T84-E88 HydrophobicContact CG2-CG 4.28Å; T84-E88 PolarHBondContact OG1-O 2.74Å; A85-E88 PolarHBondContact O-N 2.97Å; E88-S90 WeakPolarHBondContact CG-OG 3.48Å; E88-S90 PolarHBondContact OE1-OG 2.87Å |
| 89 | Y | 88.4 | Confident | 85.5 | Confident | 24 Ų | 24 | 67.7 Ų | 67.7 | 9% | 0.094 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 92.9 | 178 | -178 | -108.4 | 0 | 0 | 0 | 109.3 | C47 V56 W58 F66 G68 L80 | C47-Y89 WeakPolarHBondContact CB-O 3.12Å; C47-Y89 PolarHBondContact N-O 2.83Å; C47-Y89 PolarHBondContact O-N 3.16Å; V56-Y89 HydrophobicContact CB-CD1 4.15Å; V56-Y89 HydrophobicContact CB-CE1 4.34Å; V56-Y89 HydrophobicContact CB-CG 4.38Å; V56-Y89 HydrophobicContact CG1-CD1 3.75Å; V56-Y89 HydrophobicContact CG1-CD2 3.69Å; V56-Y89 HydrophobicContact CG1-CE1 3.84Å; V56-Y89 HydrophobicContact CG1-CE2 3.81Å; V56-Y89 HydrophobicContact CG1-CG 3.65Å; V56-Y89 HydrophobicContact CG2-CD1 3.3Å; V56-Y89 HydrophobicContact CG2-CE1 3.76Å; V56-Y89 HydrophobicContact CG2-CG 3.8Å; W58-Y89 AromaticContact CD1-CD1 3.46Å; W58-Y89 VanDerWaalsContact CD1-CD1 3.46Å; W58-Y89 AromaticContact CD1-CE1 3.3Å; W58-Y89 HydrophobicContact CG-CE1 4.2Å; W58-Y89 AromaticContact NE1-CD1 3.61Å; W58-Y89 AromaticContact NE1-CE1 3.97Å; W58-Y89 PolarHBondContact NE1-O 2.75Å; F66-Y89 VanDerWaalsContact CB-OH 3.3Å; F66-Y89 WeakPolarHBondContact CB-OH 3.37Å; G68-Y89 PolarHBondContact N-OH 2.78Å; G68-Y89 VanDerWaalsContact O-CE2 3.24Å; G68-Y89 WeakPolarHBondContact O-CE2 3.33Å; G68-Y89 PolarHBondContact O-OH 2.96Å; L80-Y89 HydrophobicContact CD1-CD2 4.04Å; L80-Y89 HydrophobicContact CD1-CE2 3.47Å; L80-Y89 VanDerWaalsContact CD1-CE2 3.47Å; L80-Y89 HydrophobicContact CD2-CE2 4.44Å |
| 90 | S | 91.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 140.8 | -172.6 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | L45 K46 M81 E88 | L45-S90 VanDerWaalsContact O-CA 3.26Å; L45-S90 WeakPolarHBondContact O-CA 2.91Å; K46-S90 WeakPolarHBondContact CA-OG 3.5Å; M81-S90 WeakPolarHBondContact CB-O 3.45Å; M81-S90 PolarHBondContact N-O 2.75Å; E88-S90 WeakPolarHBondContact CG-OG 3.48Å; E88-S90 PolarHBondContact OE1-OG 2.87Å |
| 91 | I | 93.6 | Very high | 85.7 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 151 | 168.5 | 59.7 | 167.9 | 0 | 0 | 0 | 109.5 | L45 W58 L65 F66 V78 I79 L80 | L45-I91 HydrophobicContact CB-CG1 3.94Å; L45-I91 HydrophobicContact CD1-CD1 4Å; L45-I91 HydrophobicContact CD1-CG1 4.13Å; L45-I91 HydrophobicContact CG-CG1 4.35Å; L45-I91 PolarHBondContact N-O 2.99Å; L45-I91 PolarHBondContact O-N 2.86Å; L45-I91 VanDerWaalsContact O-N 3.13Å; W58-I91 HydrophobicContact CB-CD1 3.7Å; W58-I91 HydrophobicContact CB-CG1 4.36Å; W58-I91 HydrophobicContact CB-CG2 4.43Å; W58-I91 HydrophobicContact CD2-CD1 4.05Å; W58-I91 HydrophobicContact CD2-CG1 4.06Å; W58-I91 HydrophobicContact CG-CD1 3.68Å; W58-I91 HydrophobicContact CG-CG1 3.83Å; W58-I91 HydrophobicContact CG-CG2 4.13Å; L65-I91 HydrophobicContact CD1-CD1 3.63Å; F66-I91 HydrophobicContact CD2-CG2 3.91Å; F66-I91 HydrophobicContact CE2-CG2 4.45Å; F66-I91 HydrophobicContact CG-CG2 4.36Å; V78-I91 HydrophobicContact CG1-CD1 4.13Å; I79-I91 CarbonylContact O-C 3.57Å; I79-I91 VanDerWaalsContact O-CA 3.28Å; I79-I91 WeakPolarHBondContact O-CA 3.3Å; I79-I91 WeakPolarHBondContact O-CB 3.18Å; L80-I91 HydrophobicContact CD1-CG2 3.93Å |
| 92 | Q | 95.5 | Very high | 85.9 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 19% | 0.187 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.6 | 171.6 | 174.5 | -179.7 | -4 | 0 | 0 | 109.3 | S42 A43 V44 V78 I79 M81 Q94 | S42-Q92 PolarHBondContact OG-NE2 2.67Å; S42-Q92 VanDerWaalsContact OG-NE2 3.11Å; A43-Q92 CarbonylContact O-C 3.59Å; A43-Q92 VanDerWaalsContact O-CA 3.25Å; A43-Q92 WeakPolarHBondContact O-CA 3.33Å; V44-Q92 HydrophobicContact CG2-CB 4.28Å; V44-Q92 HydrophobicContact CG2-CG 4.18Å; V78-Q92 WeakPolarHBondContact CA-O 3.28Å; I79-Q92 HydrophobicContact CD1-CB 4.05Å; I79-Q92 HydrophobicContact CD1-CG 4.23Å; I79-Q92 HydrophobicContact CG1-CB 3.69Å; I79-Q92 HydrophobicContact CG1-CG 4.23Å; I79-Q92 WeakPolarHBondContact CG1-O 3.32Å; I79-Q92 PolarHBondContact N-O 2.05Å; I79-Q92 PolarHBondContact O-N 2.97Å; M81-Q92 HydrophobicContact CG-CB 4.14Å; M81-Q92 HydrophobicContact SD-CB 4.26Å; Q92-Q94 HydrophobicContact CG-CG 4.34Å |
| 93 | I | 97.4 | Very high | 87 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 111.2 | 172.1 | -54 | 174.1 | 0 | 0 | 0 | 106.1 | S42 A43 L45 R77 V78 V96 Y104 L121 | S42-I93 CarbonylContact C-O 3.52Å; S42-I93 VanDerWaalsContact CA-O 3.25Å; S42-I93 WeakPolarHBondContact CA-O 3.04Å; A43-I93 PolarHBondContact N-O 3.13Å; A43-I93 PolarHBondContact O-N 2.87Å; L45-I93 HydrophobicContact CD1-CD1 3.92Å; R77-I93 WeakPolarHBondContact O-CA 3.31Å; V78-I93 HydrophobicContact CG1-CG1 4.49Å; V78-I93 HydrophobicContact CG2-CG1 4.43Å; I93-V96 HydrophobicContact CB-CG2 4.3Å; I93-V96 HydrophobicContact CG2-CG2 4.15Å; I93-V96 WeakPolarHBondContact O-CG2 3.22Å; I93-Y104 HydrophobicContact CD1-CD1 4.39Å; I93-Y104 HydrophobicContact CD1-CE1 3.62Å; I93-L121 HydrophobicContact CD1-CD2 4.29Å |
| 94 | Q | 97.4 | Very high | 88.8 | Confident | 85 Ų | 85 | 49.4 Ų | 49.4 | 40% | 0.397 | 27% | 0.265 | S | S | . | . | trans | -81.9 | 154.4 | 178.5 | -64 | -177.1 | -20.2 | 0 | 0 | 111.4 | R77 I79 Q92 V96 | R77-Q94 HydrophobicContact CB-CB 4.4Å; R77-Q94 WeakPolarHBondContact CB-O 3.05Å; R77-Q94 WeakPolarHBondContact CD-O 3.39Å; R77-Q94 PolarHBondContact O-N 3.35Å; I79-Q94 HydrophobicContact CD1-CG 4.35Å; Q92-Q94 HydrophobicContact CG-CG 4.34Å; Q94-V96 PolarHBondContact O-N 3.3Å | ||
| 95 | N | 96.6 | Very high | 90.4 | Very high | 104 Ų | 104 | 49 Ų | 49 | 56% | 0.556 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 47 | 58.4 | 175.6 | -172.3 | 25.8 | 0 | 0 | 0 | 112.1 | G40 D41 R77 N97 | G40-N95 WeakPolarHBondContact CA-OD1 3.33Å; G40-N95 WeakPolarHBondContact O-CA 3.24Å; D41-N95 PolarHBondContact O-N 3.37Å; R77-N95 PolarHBondContact NH1-O 2.92Å; N95-N97 PolarHBondContact O-N 3.37Å |
| 96 | V | 97.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | trans | -61.3 | 133.8 | -174.2 | 173 | 0 | 0 | 0 | 0 | 110.2 | V37 Q39 G40 D41 A43 I93 Q94 D100 L121 V123 | V37-V96 HydrophobicContact CG1-CB 4.46Å; V37-V96 HydrophobicContact CG1-CG2 4.33Å; Q39-V96 CarbonylContact C-O 3.53Å; Q39-V96 WeakPolarHBondContact CA-O 3.22Å; Q39-V96 WeakPolarHBondContact CG-O 3.4Å; G40-V96 PolarHBondContact N-O 2.8Å; D41-V96 WeakPolarHBondContact O-CB 3.48Å; D41-V96 VanDerWaalsContact O-CG2 3.27Å; D41-V96 WeakPolarHBondContact O-CG2 3.49Å; D41-V96 PolarHBondContact O-N 3.06Å; A43-V96 HydrophobicContact CB-CG2 3.74Å; I93-V96 HydrophobicContact CB-CG2 4.3Å; I93-V96 HydrophobicContact CG2-CG2 4.15Å; I93-V96 WeakPolarHBondContact O-CG2 3.22Å; Q94-V96 PolarHBondContact O-N 3.3Å; V96-D100 HydrophobicContact CG1-CB 4.28Å; V96-L121 HydrophobicContact CG1-CD2 4.23Å; V96-V123 HydrophobicContact CG1-CB 4.33Å; V96-V123 HydrophobicContact CG1-CG1 3.95Å; V96-V123 HydrophobicContact CG1-CG2 3.43Å; V96-V123 VanDerWaalsContact CG1-CG2 3.43Å | ||
| 97 | N | 96.4 | Very high | 93.1 | Very high | 57 Ų | 57 | 38.7 Ų | 38.7 | 31% | 0.305 | 20% | 0.203 | S | C | . | . | trans | -112 | 157.5 | 177.4 | -169.3 | -1.2 | 0 | 0 | 0 | 110.1 | Q39 N95 H99 D100 | Q39-N97 PolarHBondContact NE2-OD1 2.99Å; N95-N97 PolarHBondContact O-N 3.37Å; N97-H99 PolarHBondContact O-N 2.96Å; N97-H99 VanDerWaalsContact O-N 3.1Å; N97-D100 PolarHBondContact N-OD2 2.86Å; N97-D100 VanDerWaalsContact O-CB 3.29Å; N97-D100 WeakPolarHBondContact O-CB 3.48Å; N97-D100 PolarHBondContact O-N 3.12Å | ||
| 98 | V | 95.4 | Very high | 93.8 | Very high | 46 Ų | 46 | 35.3 Ų | 35.3 | 28% | 0.279 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -52.7 | -32.7 | 176.4 | -179.3 | 0 | 0 | 0 | 0 | 112.1 | D100 E101 V123 V125 | V98-D100 VanDerWaalsContact C-N 3.27Å; V98-D100 PolarHBondContact O-N 2.87Å; V98-E101 WeakPolarHBondContact O-CB 3.13Å; V98-E101 PolarHBondContact O-N 3.39Å; V98-V123 HydrophobicContact CG2-CG1 4.47Å; V98-V125 HydrophobicContact CG2-CG2 3.73Å |
| 99 | H | 95.4 | Very high | 93.8 | Very high | 162 Ų | 162 | 35.6 Ų | 35.6 | 75% | 0.75 | 18% | 0.184 | S | C | * | . | G | 310 helix | trans | -70.2 | -18.4 | 176.6 | -59.9 | -52.8 | 0 | 0 | 0 | 114.6 | N97 E101 | N97-H99 PolarHBondContact O-N 2.96Å; N97-H99 VanDerWaalsContact O-N 3.1Å; H99-E101 PolarHBondContact O-N 2.86Å |
| 100 | D | 95.9 | Very high | 93.5 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -77 | -10.6 | 177 | -56.5 | -36 | 0 | 0 | 0 | 111.5 | R77 V96 N97 V98 G102 Y104 L121 | R77-D100 IonicContact CZ-OD1 3.71Å; R77-D100 IonicContact CZ-OD2 3.42Å; R77-D100 IonicContact NH1-OD1 3.72Å; R77-D100 IonicContact NH1-OD2 2.73Å; R77-D100 PolarHBondContact NH1-OD2 2.84Å; R77-D100 IonicContact NH2-OD1 2.79Å; R77-D100 PolarHBondContact NH2-OD1 3.47Å; R77-D100 IonicContact NH2-OD2 3.27Å; R77-D100 PolarHBondContact NH2-OD2 3.38Å; V96-D100 HydrophobicContact CG1-CB 4.28Å; N97-D100 PolarHBondContact N-OD2 2.86Å; N97-D100 VanDerWaalsContact O-CB 3.29Å; N97-D100 WeakPolarHBondContact O-CB 3.48Å; N97-D100 PolarHBondContact O-N 3.12Å; V98-D100 VanDerWaalsContact C-N 3.27Å; V98-D100 PolarHBondContact O-N 2.87Å; D100-G102 PolarHBondContact O-N 3.28Å; D100-Y104 VanDerWaalsContact O-CE2 3.22Å; D100-Y104 WeakPolarHBondContact O-CE2 3.35Å; D100-Y104 PolarHBondContact O-OH 3.12Å; D100-L121 HydrophobicContact CB-CD2 4.11Å |
| 101 | E | 95.8 | Very high | 92.8 | Very high | 53 Ų | 53 | 42 Ų | 42 | 25% | 0.248 | 22% | 0.221 | C | C | . | . | trans | -60 | 134.8 | 177.8 | 172.6 | 151.6 | 133.4 | 0 | 0 | 112.4 | R61 V98 H99 L121 I122 V123 R153 | R61-E101 PolarHBondContact NH2-O 2.94Å; V98-E101 WeakPolarHBondContact O-CB 3.13Å; V98-E101 PolarHBondContact O-N 3.39Å; H99-E101 PolarHBondContact O-N 2.86Å; E101-L121 WeakPolarHBondContact CA-O 3.32Å; E101-L121 VanDerWaalsContact CG-O 3.28Å; E101-L121 WeakPolarHBondContact CG-O 3.5Å; E101-I122 WeakPolarHBondContact OE2-CA 3.18Å; E101-V123 HydrophobicContact CB-CG2 4.1Å; E101-V123 PolarHBondContact OE2-N 3.05Å; E101-R153 VanDerWaalsContact CD-NH1 3.31Å; E101-R153 IonicContact OE1-CZ 2.63Å; E101-R153 IonicContact OE1-NH1 2.76Å; E101-R153 IonicContact OE1-NH2 2.68Å; E101-R153 PolarHBondContact OE1-NH2 2.81Å; E101-R153 IonicContact OE2-CZ 2.97Å; E101-R153 IonicContact OE2-NE 3.38Å; E101-R153 IonicContact OE2-NH1 3.13Å; E101-R153 PolarHBondContact OE2-NH1 2.78Å; E101-R153 IonicContact OE2-NH2 3.15Å; E101-R153 PolarHBondContact OE2-NH2 2.92Å | ||
| 102 | G | 94.4 | Very high | 92 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.3 | -166.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113 | D100 Y104 H120 L121 | D100-G102 PolarHBondContact O-N 3.28Å; G102-Y104 WeakPolarHBondContact O-CD2 3.37Å; G102-H120 WeakPolarHBondContact O-CA 3.39Å; G102-L121 PolarHBondContact N-O 3.04Å; G102-L121 VanDerWaalsContact N-O 3.14Å; G102-L121 PolarHBondContact O-N 3.35Å |
| 103 | P | 95 | Very high | 91.2 | Very high | 24 Ų | 24 | 56.9 Ų | 56.9 | 16% | 0.156 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 125.6 | -178.2 | 30.9 | -33.1 | 0 | 0 | 0 | 112 | R61 K118 V119 | R61-P103 HydrophobicContact CG-CG 4Å; R61-P103 PolarHBondContact N-O 2.99Å; P103-K118 HydrophobicContact CB-CD 4.37Å; P103-K118 HydrophobicContact CB-CG 4.35Å; P103-V119 WeakPolarHBondContact CA-O 3.42Å |
| 104 | Y | 95 | Very high | 90.4 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 138.7 | 167.1 | -66.9 | -99.9 | 0 | 0 | 0 | 109 | L45 L59 N60 L65 I93 D100 G102 K118 V119 L121 | L45-Y104 HydrophobicContact CD1-CD1 3.48Å; L45-Y104 VanDerWaalsContact CD1-CD1 3.48Å; L45-Y104 HydrophobicContact CD1-CD2 4.15Å; L45-Y104 HydrophobicContact CD1-CE1 4.11Å; L45-Y104 HydrophobicContact CD1-CG 3.5Å; L59-Y104 CarbonylContact O-C 3.56Å; L59-Y104 VanDerWaalsContact O-CA 3.28Å; L59-Y104 WeakPolarHBondContact O-CA 3.47Å; N60-Y104 HydrophobicContact CB-CD1 4.02Å; N60-Y104 HydrophobicContact CB-CE1 3.71Å; L65-Y104 HydrophobicContact CD1-CD1 3.9Å; L65-Y104 HydrophobicContact CD1-CE1 3.88Å; I93-Y104 HydrophobicContact CD1-CD1 4.39Å; I93-Y104 HydrophobicContact CD1-CE1 3.62Å; D100-Y104 VanDerWaalsContact O-CE2 3.22Å; D100-Y104 WeakPolarHBondContact O-CE2 3.35Å; D100-Y104 PolarHBondContact O-OH 3.12Å; G102-Y104 WeakPolarHBondContact O-CD2 3.37Å; Y104-K118 WeakPolarHBondContact O-CA 3.36Å; Y104-V119 PolarHBondContact N-O 3.33Å; Y104-V119 PolarHBondContact O-N 2.77Å; Y104-L121 HydrophobicContact CD2-CB 3.84Å; Y104-L121 HydrophobicContact CE2-CB 3.61Å; Y104-L121 HydrophobicContact CE2-CD2 3.85Å; Y104-L121 HydrophobicContact CE2-CG 4.38Å |
| 105 | V | 93.6 | Very high | 89.9 | Confident | 32 Ų | 32 | 63.3 Ų | 63.3 | 19% | 0.194 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122 | -177.1 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | L59 T117 K118 | L59-V105 HydrophobicContact CB-CB 4.44Å; L59-V105 PolarHBondContact N-O 2.99Å; L59-V105 PolarHBondContact O-N 2.57Å; V105-T117 WeakPolarHBondContact CA-O 3.44Å; V105-K118 HydrophobicContact CG2-CB 4.49Å; V105-K118 HydrophobicContact CG2-CG 4.19Å |
| 106 | C | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 115.1 | 162.1 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | C47 A57 W58 S116 T117 | C47-C106 HydrophobicContact CB-CB 3.54Å; C47-C106 WeakPolarHBondContact CB-SG 3.48Å; C47-C106 WeakPolarHBondContact SG-CB 3.21Å; C47-C106 CovalentContact SG-SG 2.01Å; C47-C106 PolarHBondContact SG-SG 3.28Å; A57-C106 CarbonylContact O-C 3.54Å; A57-C106 WeakPolarHBondContact O-CA 3.34Å; W58-C106 HydrophobicContact CD2-CB 4.03Å; W58-C106 HydrophobicContact CE3-CB 3.97Å; W58-C106 HydrophobicContact CH2-CB 3.77Å; W58-C106 HydrophobicContact CZ2-CB 3.84Å; W58-C106 HydrophobicContact CZ3-CB 3.83Å; C106-S116 CarbonylContact O-C 3.58Å; C106-S116 VanDerWaalsContact O-CA 3.24Å; C106-S116 WeakPolarHBondContact O-CA 3.23Å; C106-T117 PolarHBondContact N-O 2.89Å; C106-T117 PolarHBondContact O-N 3.26Å |
| 107 | S | 90.7 | Very high | 88.9 | Confident | 24 Ų | 24 | 63.1 Ų | 63.1 | 17% | 0.168 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 123.1 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | V56 A57 | V56-S107 CarbonylContact C-O 3.52Å; V56-S107 WeakPolarHBondContact CA-O 3.46Å; A57-S107 PolarHBondContact N-O 2.79Å; A57-S107 PolarHBondContact O-N 2.84Å |
| 108 | I | 87.9 | Confident | 88.6 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 5% | 0.046 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 121.4 | -179.3 | -60.3 | 166.2 | 0 | 0 | 0 | 108.3 | V49 V53 V56 T110 P114 K115 | V49-I108 HydrophobicContact CG2-CD1 4.49Å; V53-I108 HydrophobicContact CB-CG2 4.24Å; V53-I108 HydrophobicContact CG1-CG2 3.73Å; V53-I108 HydrophobicContact CG2-CG2 3.42Å; V53-I108 VanDerWaalsContact CG2-CG2 3.42Å; V56-I108 HydrophobicContact CG2-CG1 4Å; I108-T110 HydrophobicContact CG2-CG2 4Å; I108-P114 CarbonylContact O-C 3.56Å; I108-P114 WeakPolarHBondContact O-CA 3.14Å; I108-K115 HydrophobicContact CB-CB 4.43Å; I108-K115 PolarHBondContact N-O 2.98Å; I108-K115 PolarHBondContact O-N 3.25Å; I108-K115 VanDerWaalsContact O-O 3.13Å |
| 109 | L | 84.9 | Confident | 88.5 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 119.6 | 168.4 | -172 | 63.1 | 0 | 0 | 0 | 109.4 | S54 R55 P114 | S54-L109 PolarHBondContact N-O 2.94Å; S54-L109 WeakPolarHBondContact OG-CG 3.46Å; S54-L109 PolarHBondContact OG-O 2.82Å; S54-L109 VanDerWaalsContact OG-O 3.07Å; R55-L109 HydrophobicContact CB-CB 4.1Å; R55-L109 HydrophobicContact CG-CD2 4.46Å; R55-L109 PolarHBondContact O-N 2.81Å; L109-P114 HydrophobicContact CD1-CB 4.43Å; L109-P114 HydrophobicContact CD1-CG 3.96Å |
| 110 | T | 80.8 | Confident | 88.4 | Confident | 25 Ų | 25 | 57.3 Ų | 57.3 | 15% | 0.153 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 166.3 | 172.5 | 76.6 | 0 | 0 | 0 | 0 | 110.3 | V53 I108 K112 K113 K115 | V53-T110 HydrophobicContact CG2-CG2 4.32Å; I108-T110 HydrophobicContact CG2-CG2 4Å; T110-K112 PolarHBondContact O-N 2.92Å; T110-K112 PolarHBondContact OG1-N 3.35Å; T110-K113 PolarHBondContact OG1-N 3.27Å; T110-K113 PolarHBondContact OG1-O 3.29Å; T110-K115 HydrophobicContact CG2-CD 4.45Å |
| 111 | N | 77.1 | Confident | 88.4 | Confident | 132 Ų | 132 | 56.5 Ų | 56.5 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -64.3 | -7.9 | 177.5 | -63.8 | -12.8 | 0 | 0 | 0 | 114.3 | ||
| 112 | K | 77.1 | Confident | 88.4 | Confident | 196 Ų | 196 | 56.6 Ų | 56.6 | 85% | 0.852 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -111.4 | -61.6 | 179.3 | -64.9 | -174 | 179 | -176.4 | 0 | 112 | T110 | T110-K112 PolarHBondContact O-N 2.92Å; T110-K112 PolarHBondContact OG1-N 3.35Å |
| 113 | K | 78.1 | Confident | 88.5 | Confident | 158 Ų | 158 | 56.3 Ų | 56.3 | 69% | 0.687 | 29% | 0.288 | S | S | * | . | trans | -144 | 146.2 | -176.2 | -69.3 | -172.9 | 177.8 | -178.2 | 0 | 110.9 | T110 | T110-K113 PolarHBondContact OG1-N 3.27Å; T110-K113 PolarHBondContact OG1-O 3.29Å | ||
| 114 | P | 81.6 | Confident | 88.6 | Confident | 97 Ų | 97 | 57.3 Ų | 57.3 | 63% | 0.63 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 141.3 | 166 | -18.3 | 30.8 | 0 | 0 | 0 | 110.4 | I108 L109 | I108-P114 CarbonylContact O-C 3.56Å; I108-P114 WeakPolarHBondContact O-CA 3.14Å; L109-P114 HydrophobicContact CD1-CB 4.43Å; L109-P114 HydrophobicContact CD1-CG 3.96Å |
| 115 | K | 85.9 | Confident | 88.6 | Confident | 124 Ų | 124 | 58.6 Ų | 58.6 | 54% | 0.539 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 143.4 | 171.4 | -68.5 | -175.2 | 177.4 | -178.1 | 0 | 108.1 | I108 T110 | I108-K115 HydrophobicContact CB-CB 4.43Å; I108-K115 PolarHBondContact N-O 2.98Å; I108-K115 PolarHBondContact O-N 3.25Å; I108-K115 VanDerWaalsContact O-O 3.13Å; T110-K115 HydrophobicContact CG2-CD 4.45Å |
| 116 | S | 87 | Confident | 88.8 | Confident | 66 Ų | 66 | 59.3 Ų | 59.3 | 46% | 0.462 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 133.2 | 175.9 | 59.3 | 0 | 0 | 0 | 0 | 110.9 | C106 | C106-S116 CarbonylContact O-C 3.58Å; C106-S116 VanDerWaalsContact O-CA 3.24Å; C106-S116 WeakPolarHBondContact O-CA 3.23Å |
| 117 | T | 87.1 | Confident | 89 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 22% | 0.221 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 123.3 | 172.9 | -55.6 | 0 | 0 | 0 | 0 | 108.4 | K32 V105 C106 | K32-T117 HydrophobicContact CB-CG2 3.85Å; K32-T117 HydrophobicContact CD-CG2 4.16Å; V105-T117 WeakPolarHBondContact CA-O 3.44Å; C106-T117 PolarHBondContact N-O 2.89Å; C106-T117 PolarHBondContact O-N 3.26Å |
| 118 | K | 90.6 | Very high | 89.4 | Confident | 79 Ų | 79 | 64.6 Ų | 64.6 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 134.7 | 178.5 | -171.7 | 178.4 | -176.6 | -173.7 | 0 | 109.4 | P103 Y104 V105 H120 | P103-K118 HydrophobicContact CB-CD 4.37Å; P103-K118 HydrophobicContact CB-CG 4.35Å; Y104-K118 WeakPolarHBondContact O-CA 3.36Å; V105-K118 HydrophobicContact CG2-CB 4.49Å; V105-K118 HydrophobicContact CG2-CG 4.19Å; K118-H120 VanDerWaalsContact CE-CE1 3.44Å; K118-H120 WeakPolarHBondContact CE-CE1 3.46Å |
| 119 | V | 92.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 136.1 | 175.6 | 179 | 0 | 0 | 0 | 0 | 107.8 | K32 I35 L45 W58 P103 Y104 | K32-V119 HydrophobicContact CB-CG2 4.36Å; I35-V119 HydrophobicContact CB-CG1 4.13Å; I35-V119 HydrophobicContact CD1-CG1 3.6Å; I35-V119 HydrophobicContact CG1-CG1 3.59Å; L45-V119 HydrophobicContact CD2-CG1 4.46Å; W58-V119 HydrophobicContact CH2-CG2 4.38Å; P103-V119 WeakPolarHBondContact CA-O 3.42Å; Y104-V119 PolarHBondContact N-O 3.33Å; Y104-V119 PolarHBondContact O-N 2.77Å |
| 120 | H | 94.1 | Very high | 90.5 | Very high | 61 Ų | 61 | 65.1 Ų | 65.1 | 28% | 0.282 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 122.7 | 168.8 | -76 | 86.1 | 0 | 0 | 0 | 109.6 | I35 G102 K118 | I35-H120 PolarHBondContact N-O 2.73Å; G102-H120 WeakPolarHBondContact O-CA 3.39Å; K118-H120 VanDerWaalsContact CE-CE1 3.44Å; K118-H120 WeakPolarHBondContact CE-CE1 3.46Å |
| 121 | L | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 117 | 168.3 | 178.2 | 61.1 | 0 | 0 | 0 | 108.1 | I35 V37 A43 I93 V96 D100 E101 G102 Y104 V123 | I35-L121 HydrophobicContact CG2-CD1 4.09Å; I35-L121 CarbonylContact O-C 3.49Å; I35-L121 WeakPolarHBondContact O-CA 3.26Å; V37-L121 HydrophobicContact CB-CD1 4.38Å; V37-L121 HydrophobicContact CG2-CD1 4.28Å; A43-L121 HydrophobicContact CB-CD1 3.64Å; A43-L121 HydrophobicContact CB-CD2 4.34Å; I93-L121 HydrophobicContact CD1-CD2 4.29Å; V96-L121 HydrophobicContact CG1-CD2 4.23Å; D100-L121 HydrophobicContact CB-CD2 4.11Å; E101-L121 WeakPolarHBondContact CA-O 3.32Å; E101-L121 VanDerWaalsContact CG-O 3.28Å; E101-L121 WeakPolarHBondContact CG-O 3.5Å; G102-L121 PolarHBondContact N-O 3.04Å; G102-L121 VanDerWaalsContact N-O 3.14Å; G102-L121 PolarHBondContact O-N 3.35Å; Y104-L121 HydrophobicContact CD2-CB 3.84Å; Y104-L121 HydrophobicContact CE2-CB 3.61Å; Y104-L121 HydrophobicContact CE2-CD2 3.85Å; Y104-L121 HydrophobicContact CE2-CG 4.38Å; L121-V123 HydrophobicContact CD2-CG2 4.45Å; L121-V123 HydrophobicContact CG-CG2 4.16Å |
| 122 | I | 95.3 | Very high | 92.3 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 123.3 | 174.4 | -59.2 | 176.2 | 0 | 0 | 0 | 108 | N34 I35 T36 V37 E101 | N34-I122 HydrophobicContact CB-CD1 3.83Å; N34-I122 HydrophobicContact CB-CG1 4.48Å; I35-I122 PolarHBondContact O-N 2.73Å; T36-I122 WeakPolarHBondContact CA-O 3.15Å; T36-I122 HydrophobicContact CG2-CB 4.39Å; T36-I122 HydrophobicContact CG2-CG2 4.35Å; V37-I122 PolarHBondContact N-O 3.46Å; E101-I122 WeakPolarHBondContact OE2-CA 3.18Å |
| 123 | V | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.8 | -178.4 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | V37 Q39 V96 V98 E101 L121 R153 | V37-V123 WeakPolarHBondContact O-CA 3.38Å; Q39-V123 HydrophobicContact CB-CG1 4.16Å; V96-V123 HydrophobicContact CG1-CB 4.33Å; V96-V123 HydrophobicContact CG1-CG1 3.95Å; V96-V123 HydrophobicContact CG1-CG2 3.43Å; V96-V123 VanDerWaalsContact CG1-CG2 3.43Å; V98-V123 HydrophobicContact CG2-CG1 4.47Å; E101-V123 HydrophobicContact CB-CG2 4.1Å; E101-V123 PolarHBondContact OE2-N 3.05Å; L121-V123 HydrophobicContact CD2-CG2 4.45Å; L121-V123 HydrophobicContact CG-CG2 4.16Å; V123-R153 WeakPolarHBondContact O-CD 3.38Å; V123-R153 PolarHBondContact O-NH1 3Å |
| 124 | Q | 96.8 | Very high | 94.3 | Very high | 46 Ų | 46 | 55.5 Ų | 55.5 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 142.5 | -179.7 | -69.2 | 179.9 | -30.8 | 0 | 0 | 111.5 | T36 V37 R38 Q39 R153 I199 | T36-Q124 HydrophobicContact CG2-CG 3.56Å; T36-Q124 VanDerWaalsContact CG2-NE2 3.26Å; T36-Q124 VanDerWaalsContact CG2-OE1 3.23Å; V37-Q124 PolarHBondContact O-N 2.83Å; R38-Q124 CarbonylContact C-O 3.48Å; R38-Q124 WeakPolarHBondContact CA-O 3.4Å; Q39-Q124 PolarHBondContact N-O 2.9Å; Q124-R153 CarbonylContact C-O 3.45Å; Q124-R153 VanDerWaalsContact CA-O 3.23Å; Q124-R153 WeakPolarHBondContact CA-O 3.36Å; Q124-R153 WeakPolarHBondContact CB-O 3.37Å; Q124-I199 HydrophobicContact CB-CD1 4.24Å; Q124-I199 HydrophobicContact CB-CG1 4.16Å; Q124-I199 HydrophobicContact CB-CG2 4.06Å; Q124-I199 HydrophobicContact CG-CD1 4.01Å; Q124-I199 HydrophobicContact CG-CG1 4.43Å |
| 125 | V | 96.5 | Very high | 95.1 | Very high | 30 Ų | 30 | 56.5 Ų | 56.5 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 120.3 | 177.4 | -177.6 | 0 | 0 | 0 | 0 | 107.3 | Q39 V98 R153 N197 | Q39-V125 HydrophobicContact CB-CG2 4.11Å; V98-V125 HydrophobicContact CG2-CG2 3.73Å; V125-R153 HydrophobicContact CB-CB 3.83Å; V125-R153 HydrophobicContact CG2-CB 3.96Å; V125-R153 PolarHBondContact N-O 3.43Å; V125-R153 PolarHBondContact O-N 3.37Å; V125-N197 PolarHBondContact O-ND2 2.87Å |
| 126 | P | 96.4 | Very high | 95.6 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 31% | 0.305 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.8 | 144.8 | 174.7 | -32.4 | 39.3 | 0 | 0 | 0 | 113.8 | I199 S200 | P126-I199 HydrophobicContact CG-CG2 4.32Å; P126-S200 WeakPolarHBondContact CB-OG 3.41Å |
| 127 | A | 97.7 | Very high | 96.1 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 7% | 0.066 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 135.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V151 A156 A195 N197 | A127-V151 CarbonylContact C-O 3.49Å; A127-V151 VanDerWaalsContact CA-O 3.29Å; A127-V151 WeakPolarHBondContact CA-O 3.44Å; A127-A156 HydrophobicContact CB-CB 3.74Å; A127-A195 HydrophobicContact CB-CB 4.26Å; A127-N197 HydrophobicContact CB-CB 4.28Å; A127-N197 PolarHBondContact N-OD1 2.98Å; A127-N197 VanDerWaalsContact N-OD1 3.08Å |
| 128 | K | 97.9 | Very high | 96.6 | Very high | 127 Ų | 127 | 52.9 Ų | 52.9 | 55% | 0.552 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 126.3 | 179 | -174.3 | 175.8 | -177 | 177.9 | 0 | 111.1 | T130 A150 V151 | K128-T130 PolarHBondContact O-N 2.87Å; K128-A150 CarbonylContact O-C 3.55Å; K128-A150 VanDerWaalsContact O-CA 3.25Å; K128-A150 WeakPolarHBondContact O-CA 3.2Å; K128-V151 HydrophobicContact CB-CG2 4.3Å; K128-V151 PolarHBondContact N-O 3.26Å; K128-V151 PolarHBondContact O-N 2.95Å |
| 129 | I | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 121.2 | 175.5 | -62.5 | 169.1 | 0 | 0 | 0 | 108.7 | I132 Q149 A150 C193 A195 D203 R205 | I129-I132 HydrophobicContact CG2-CB 4.45Å; I129-Q149 WeakPolarHBondContact CA-O 3.48Å; I129-A150 HydrophobicContact CG1-CB 4.33Å; I129-C193 HydrophobicContact CD1-CB 4.3Å; I129-C193 WeakPolarHBondContact CD1-O 3.47Å; I129-A195 HydrophobicContact CD1-CB 4.14Å; I129-A195 HydrophobicContact CG1-CB 3.58Å; I129-D203 HydrophobicContact CD1-CB 4.47Å; I129-D203 WeakPolarHBondContact CD1-O 3.47Å; I129-D203 HydrophobicContact CG1-CB 4.32Å; I129-D203 PolarHBondContact N-OD2 3.42Å; I129-R205 HydrophobicContact CB-CG 4.16Å; I129-R205 HydrophobicContact CD1-CB 3.95Å; I129-R205 HydrophobicContact CD1-CG 3.9Å; I129-R205 HydrophobicContact CG2-CB 4.42Å; I129-R205 HydrophobicContact CG2-CG 4.1Å; I129-R205 PolarHBondContact O-NH2 3.1Å; I129-R205 VanDerWaalsContact O-NH2 3.15Å |
| 130 | T | 98 | Very high | 97.1 | Very high | 78 Ų | 78 | 56.6 Ų | 56.6 | 48% | 0.479 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -35.6 | -178.9 | 56.9 | 0 | 0 | 0 | 0 | 112 | K128 Q149 V151 | K128-T130 PolarHBondContact O-N 2.87Å; T130-Q149 PolarHBondContact N-O 3.32Å; T130-Q149 PolarHBondContact OG1-O 2.93Å; T130-V151 HydrophobicContact CG2-CB 4.39Å; T130-V151 HydrophobicContact CG2-CG1 3.81Å; T130-V151 HydrophobicContact CG2-CG2 3.78Å |
| 131 | N | 97.9 | Very high | 97.2 | Very high | 69 Ų | 69 | 55.8 Ų | 55.8 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 143.4 | -178.4 | -166.1 | 11.7 | 0 | 0 | 0 | 110.8 | C148 Q149 | N131-C148 WeakPolarHBondContact O-CA 3.23Å; N131-Q149 HydrophobicContact CB-CB 4.17Å; N131-Q149 HydrophobicContact CB-CG 4.49Å; N131-Q149 PolarHBondContact N-O 2.75Å; N131-Q149 PolarHBondContact ND2-OE1 3.49Å; N131-Q149 PolarHBondContact O-N 3.02Å |
| 132 | I | 98.3 | Very high | 97.3 | Very high | 28 Ų | 28 | 57.8 Ų | 57.8 | 14% | 0.144 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 145.5 | 175.4 | -171 | 171 | 0 | 0 | 0 | 109.4 | I129 M147 C148 W160 C193 R205 | I129-I132 HydrophobicContact CG2-CB 4.45Å; I132-M147 CarbonylContact C-O 3.57Å; I132-M147 VanDerWaalsContact CA-O 3.32Å; I132-M147 WeakPolarHBondContact CA-O 3.33Å; I132-C148 HydrophobicContact CG1-CB 4.42Å; I132-W160 HydrophobicContact CD1-CH2 4.38Å; I132-W160 HydrophobicContact CG1-CH2 4.31Å; I132-C193 HydrophobicContact CD1-CB 3.85Å; I132-R205 HydrophobicContact CD1-CB 3.68Å; I132-R205 HydrophobicContact CG2-CB 4.38Å |
| 133 | S | 98.3 | Very high | 97.4 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 145.7 | 171.5 | -72.6 | 0 | 0 | 0 | 0 | 111.9 | M147 V207 | S133-M147 PolarHBondContact N-O 2.95Å; S133-M147 PolarHBondContact OG-N 2.87Å; S133-V207 WeakPolarHBondContact O-CG2 3.33Å |
| 134 | K | 97.9 | Very high | 97.4 | Very high | 184 Ų | 184 | 59.9 Ų | 59.9 | 80% | 0.8 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 163.9 | 172.7 | -63.1 | -179.2 | -179 | 177.4 | 0 | 110.7 | V136 V207 | K134-V136 PolarHBondContact O-N 2.84Å; K134-V207 VanDerWaalsContact C-CG2 3.47Å; K134-V207 VanDerWaalsContact O-CG2 3.23Å; K134-V207 WeakPolarHBondContact O-CG2 3.48Å |
| 135 | D | 97.9 | Very high | 97.4 | Very high | 118 Ų | 118 | 61.5 Ų | 61.5 | 63% | 0.631 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 138.5 | 174 | -62.9 | -13.6 | 0 | 0 | 0 | 111 | Q208 | D135-Q208 WeakPolarHBondContact CA-O 3.15Å; D135-Q208 HydrophobicContact CB-CB 4.12Å; D135-Q208 PolarHBondContact OD1-N 2.83Å |
| 136 | V | 97.6 | Very high | 97.5 | Very high | 41 Ų | 41 | 60.2 Ų | 60.2 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 141.2 | -173.7 | 68.3 | 0 | 0 | 0 | 0 | 110.5 | K134 V138 V144 L146 Q208 V209 T210 | K134-V136 PolarHBondContact O-N 2.84Å; V136-V138 HydrophobicContact CG2-CG1 3.91Å; V136-V144 HydrophobicContact CG1-CG1 3.99Å; V136-L146 HydrophobicContact CG1-CD2 4.33Å; V136-Q208 PolarHBondContact N-O 2.85Å; V136-V209 HydrophobicContact CG1-CB 4.35Å; V136-V209 HydrophobicContact CG1-CG1 4.18Å; V136-V209 HydrophobicContact CG1-CG2 3.94Å; V136-T210 PolarHBondContact O-N 3.21Å |
| 137 | T | 97.2 | Very high | 97.5 | Very high | 85 Ų | 85 | 60.6 Ų | 60.6 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.1 | 171.9 | -57.6 | 0 | 0 | 0 | 0 | 108.7 | T210 N212 | T137-T210 CarbonylContact C-O 3.54Å; T137-T210 VanDerWaalsContact CA-O 3.26Å; T137-T210 WeakPolarHBondContact CA-O 3.26Å; T137-T210 HydrophobicContact CG2-CG2 4.08Å; T137-N212 WeakPolarHBondContact CG2-OD1 3.48Å |
| 138 | V | 97.3 | Very high | 97.6 | Very high | 23 Ų | 23 | 60.2 Ų | 60.2 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 163.1 | -179 | -65.7 | 0 | 0 | 0 | 0 | 111 | V136 V144 I183 T210 V211 N212 | V136-V138 HydrophobicContact CG2-CG1 3.91Å; V138-V144 HydrophobicContact CB-CG2 4.18Å; V138-V144 HydrophobicContact CG1-CG2 3.61Å; V138-V144 HydrophobicContact CG2-CG2 3.66Å; V138-I183 HydrophobicContact CG2-CG2 3.86Å; V138-T210 PolarHBondContact N-O 2.82Å; V138-V211 CarbonylContact O-C 3.25Å; V138-V211 VanDerWaalsContact O-CA 3.32Å; V138-V211 WeakPolarHBondContact O-CA 3.46Å; V138-N212 PolarHBondContact O-N 3.36Å |
| 139 | N | 97.4 | Very high | 97.6 | Very high | 76 Ų | 76 | 57.3 Ų | 57.3 | 41% | 0.406 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 150.4 | 174.4 | -61.7 | -13.6 | 0 | 0 | 0 | 110.7 | G141 S142 N212 | N139-G141 PolarHBondContact O-N 3.15Å; N139-S142 WeakPolarHBondContact O-CB 3.31Å; N139-S142 PolarHBondContact O-N 2.93Å; N139-S142 PolarHBondContact O-OG 3.21Å; N139-N212 WeakPolarHBondContact OD1-CB 3.32Å; N139-N212 PolarHBondContact OD1-ND2 3.29Å |
| 140 | E | 96.4 | Very high | 97.6 | Very high | 83 Ų | 83 | 58.3 Ų | 58.3 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 137 | 173.4 | -173.1 | 163.9 | -124.6 | 0 | 0 | 111.3 | S142 K185 V211 N212 | E140-S142 VanDerWaalsContact C-N 3.31Å; E140-K185 PolarHBondContact OE1-N 2.84Å; E140-V211 HydrophobicContact CB-CG1 3.9Å; E140-N212 PolarHBondContact N-O 2.86Å |
| 141 | G | 95.9 | Very high | 97.5 | Very high | 44 Ų | 44 | 58.3 Ų | 58.3 | 45% | 0.454 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -3.6 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | N139 I183 | N139-G141 PolarHBondContact O-N 3.15Å; G141-I183 PolarHBondContact N-O 2.8Å |
| 142 | S | 97.6 | Very high | 97.5 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | trans | -75.1 | 164 | 173.6 | -53.9 | 0 | 0 | 0 | 0 | 112 | N139 E140 S182 I183 | N139-S142 WeakPolarHBondContact O-CB 3.31Å; N139-S142 PolarHBondContact O-N 2.93Å; N139-S142 PolarHBondContact O-OG 3.21Å; E140-S142 VanDerWaalsContact C-N 3.31Å; S142-S182 PolarHBondContact O-N 3.09Å; S142-I183 WeakPolarHBondContact O-CG2 3.3Å; S142-I183 PolarHBondContact O-N 3.33Å | ||
| 143 | S | 96.5 | Very high | 97.4 | Very high | 84 Ų | 84 | 58.3 Ų | 58.3 | 59% | 0.587 | 33% | 0.332 | S | S | * | . | trans | -104.7 | 140.3 | 170.7 | -60 | 0 | 0 | 0 | 0 | 111.4 | L180 | S143-L180 CarbonylContact C-O 3.54Å; S143-L180 WeakPolarHBondContact CA-O 3.47Å | ||
| 144 | V | 96.4 | Very high | 97.2 | Very high | 16 Ų | 16 | 60.3 Ų | 60.3 | 10% | 0.097 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.2 | 179.5 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | V136 V138 L146 L180 | V136-V144 HydrophobicContact CG1-CG1 3.99Å; V138-V144 HydrophobicContact CB-CG2 4.18Å; V138-V144 HydrophobicContact CG1-CG2 3.61Å; V138-V144 HydrophobicContact CG2-CG2 3.66Å; V144-L146 HydrophobicContact CG1-CD2 3.88Å; V144-L146 HydrophobicContact CG1-CG 4.12Å; V144-L180 HydrophobicContact CB-CB 4.37Å; V144-L180 PolarHBondContact N-O 3.15Å; V144-L180 PolarHBondContact O-N 2.9Å |
| 145 | N | 97.4 | Very high | 97.1 | Very high | 80 Ų | 80 | 60.2 Ų | 60.2 | 43% | 0.428 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.1 | 169.4 | -172 | 0.2 | 0 | 0 | 0 | 109.4 | L178 E179 | N145-L178 WeakPolarHBondContact CA-O 3.41Å; N145-L178 PolarHBondContact OD1-O 3.38Å; N145-E179 HydrophobicContact CB-CG 4.47Å |
| 146 | L | 98.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 136.5 | 175 | -59.1 | 176.2 | 0 | 0 | 0 | 109.3 | V136 V144 W160 H177 L178 L180 Y191 V207 V209 | V136-L146 HydrophobicContact CG1-CD2 4.33Å; V144-L146 HydrophobicContact CG1-CD2 3.88Å; V144-L146 HydrophobicContact CG1-CG 4.12Å; L146-W160 HydrophobicContact CB-CH2 3.85Å; L146-W160 HydrophobicContact CB-CZ2 4.13Å; L146-W160 HydrophobicContact CB-CZ3 4.37Å; L146-W160 HydrophobicContact CD1-CZ3 4.39Å; L146-H177 CarbonylContact O-C 3.59Å; L146-H177 WeakPolarHBondContact O-CA 3.46Å; L146-L178 HydrophobicContact CB-CB 4.3Å; L146-L178 HydrophobicContact CD1-CD2 4.18Å; L146-L178 PolarHBondContact N-O 2.87Å; L146-L178 PolarHBondContact O-N 3.28Å; L146-L180 HydrophobicContact CD1-CD1 4.44Å; L146-Y191 HydrophobicContact CD1-CD1 4.39Å; L146-Y191 HydrophobicContact CD1-CD2 4.33Å; L146-Y191 HydrophobicContact CD1-CG 3.99Å; L146-V207 HydrophobicContact CD1-CG1 3.81Å; L146-V207 HydrophobicContact CD2-CG1 4.26Å; L146-V207 HydrophobicContact CD2-CG2 4.27Å; L146-V209 HydrophobicContact CD1-CG2 3.87Å; L146-V209 HydrophobicContact CD2-CG2 4.31Å |
| 147 | M | 98.2 | Very high | 97.1 | Very high | 55 Ų | 55 | 56.9 Ų | 56.9 | 27% | 0.271 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 142.4 | -179.6 | 175.9 | -172.8 | 49.9 | 0 | 0 | 109.6 | I132 S133 Q149 E176 | I132-M147 CarbonylContact C-O 3.57Å; I132-M147 VanDerWaalsContact CA-O 3.32Å; I132-M147 WeakPolarHBondContact CA-O 3.33Å; S133-M147 PolarHBondContact N-O 2.95Å; S133-M147 PolarHBondContact OG-N 2.87Å; M147-Q149 HydrophobicContact CG-CG 4.25Å; M147-Q149 HydrophobicContact SD-CG 4.38Å; M147-E176 CarbonylContact C-O 3.49Å; M147-E176 WeakPolarHBondContact CA-O 3.31Å |
| 148 | C | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 133.1 | 170.6 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | N131 I132 I158 W160 E176 C193 | N131-C148 WeakPolarHBondContact O-CA 3.23Å; I132-C148 HydrophobicContact CG1-CB 4.42Å; C148-I158 HydrophobicContact CB-CG2 4.36Å; C148-I158 WeakPolarHBondContact O-CD1 3.33Å; C148-W160 HydrophobicContact CB-CH2 3.83Å; C148-W160 HydrophobicContact CB-CZ2 3.35Å; C148-E176 PolarHBondContact N-O 2.83Å; C148-E176 VanDerWaalsContact O-CA 3.3Å; C148-E176 WeakPolarHBondContact O-CA 3.37Å; C148-E176 VanDerWaalsContact O-CB 3.31Å; C148-E176 WeakPolarHBondContact O-CB 3.44Å; C148-C193 HydrophobicContact CB-CB 3.62Å; C148-C193 WeakPolarHBondContact CB-SG 3.18Å; C148-C193 WeakPolarHBondContact SG-CB 3.48Å; C148-C193 CovalentContact SG-SG 2.01Å; C148-C193 PolarHBondContact SG-SG 3.41Å |
| 149 | Q | 98.3 | Very high | 97.2 | Very high | 66 Ų | 66 | 54 Ų | 54 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134.8 | -179.1 | -59.5 | -179.8 | -59.4 | 0 | 0 | 109.4 | I129 T130 N131 M147 | I129-Q149 WeakPolarHBondContact CA-O 3.48Å; T130-Q149 PolarHBondContact N-O 3.32Å; T130-Q149 PolarHBondContact OG1-O 2.93Å; N131-Q149 HydrophobicContact CB-CB 4.17Å; N131-Q149 HydrophobicContact CB-CG 4.49Å; N131-Q149 PolarHBondContact N-O 2.75Å; N131-Q149 PolarHBondContact ND2-OE1 3.49Å; N131-Q149 PolarHBondContact O-N 3.02Å; M147-Q149 HydrophobicContact CG-CG 4.25Å; M147-Q149 HydrophobicContact SD-CG 4.38Å |
| 150 | A | 98.1 | Very high | 97.2 | Very high | 20 Ų | 20 | 50.3 Ų | 50.3 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 150.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | K128 I129 A156 I158 A195 | K128-A150 CarbonylContact O-C 3.55Å; K128-A150 VanDerWaalsContact O-CA 3.25Å; K128-A150 WeakPolarHBondContact O-CA 3.2Å; I129-A150 HydrophobicContact CG1-CB 4.33Å; A150-A156 HydrophobicContact CB-CB 4.01Å; A150-I158 HydrophobicContact CB-CD1 3.99Å; A150-I158 HydrophobicContact CB-CG1 4.16Å; A150-A195 HydrophobicContact CB-CB 3.46Å; A150-A195 VanDerWaalsContact CB-CB 3.46Å |
| 151 | V | 97.1 | Very high | 97.1 | Very high | 79 Ų | 79 | 49.9 Ų | 49.9 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 152.5 | 172 | -61 | 0 | 0 | 0 | 0 | 108.8 | A127 K128 T130 | A127-V151 CarbonylContact C-O 3.49Å; A127-V151 VanDerWaalsContact CA-O 3.29Å; A127-V151 WeakPolarHBondContact CA-O 3.44Å; K128-V151 HydrophobicContact CB-CG2 4.3Å; K128-V151 PolarHBondContact N-O 3.26Å; K128-V151 PolarHBondContact O-N 2.95Å; T130-V151 HydrophobicContact CG2-CB 4.39Å; T130-V151 HydrophobicContact CG2-CG1 3.81Å; T130-V151 HydrophobicContact CG2-CG2 3.78Å |
| 152 | G | 96.4 | Very high | 97 | Very high | 25 Ų | 25 | 48.7 Ų | 48.7 | 26% | 0.258 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 180 | 161.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | P154 | G152-P154 CarbonylContact C-O 3.51Å; G152-P154 CarbonylContact O-C 3.57Å |
| 153 | R | 95.9 | Very high | 96.5 | Very high | 71 Ų | 71 | 49.8 Ų | 49.8 | 27% | 0.268 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 110.7 | 170.9 | -166.2 | 166.8 | -175.1 | -137.9 | 19.5 | 110.9 | E101 V123 Q124 V125 N197 | E101-R153 VanDerWaalsContact CD-NH1 3.31Å; E101-R153 IonicContact OE1-CZ 2.63Å; E101-R153 IonicContact OE1-NH1 2.76Å; E101-R153 IonicContact OE1-NH2 2.68Å; E101-R153 PolarHBondContact OE1-NH2 2.81Å; E101-R153 IonicContact OE2-CZ 2.97Å; E101-R153 IonicContact OE2-NE 3.38Å; E101-R153 IonicContact OE2-NH1 3.13Å; E101-R153 PolarHBondContact OE2-NH1 2.78Å; E101-R153 IonicContact OE2-NH2 3.15Å; E101-R153 PolarHBondContact OE2-NH2 2.92Å; V123-R153 WeakPolarHBondContact O-CD 3.38Å; V123-R153 PolarHBondContact O-NH1 3Å; Q124-R153 CarbonylContact C-O 3.45Å; Q124-R153 VanDerWaalsContact CA-O 3.23Å; Q124-R153 WeakPolarHBondContact CA-O 3.36Å; Q124-R153 WeakPolarHBondContact CB-O 3.37Å; V125-R153 HydrophobicContact CB-CB 3.83Å; V125-R153 HydrophobicContact CG2-CB 3.96Å; V125-R153 PolarHBondContact N-O 3.43Å; V125-R153 PolarHBondContact O-N 3.37Å; R153-N197 PolarHBondContact N-ND2 3.17Å |
| 154 | P | 95.4 | Very high | 95.4 | Very high | 71 Ų | 71 | 47.5 Ų | 47.5 | 46% | 0.461 | 26% | 0.259 | S | S | . | . | S | Bend | cis | -56.7 | 162.4 | -0.8 | -22.9 | 35 | 0 | 0 | 0 | 113.7 | G152 A156 N197 | G152-P154 CarbonylContact C-O 3.51Å; G152-P154 CarbonylContact O-C 3.57Å; P154-A156 PolarHBondContact O-N 2.95Å; P154-N197 VanDerWaalsContact O-CB 3.3Å; P154-N197 WeakPolarHBondContact O-CB 3.32Å; P154-N197 PolarHBondContact O-ND2 2.84Å |
| 155 | E | 96.2 | Very high | 93.8 | Very high | 182 Ų | 182 | 51.4 Ų | 51.4 | 85% | 0.85 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -49.3 | 134.8 | -179.7 | -172.7 | 174.2 | -176.4 | 0 | 0 | 110.8 | ||
| 156 | A | 97.3 | Very high | 92.3 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 131.6 | -174 | 0 | 0 | 0 | 0 | 0 | 110.8 | A127 A150 P154 S196 | A127-A156 HydrophobicContact CB-CB 3.74Å; A150-A156 HydrophobicContact CB-CB 4.01Å; P154-A156 PolarHBondContact O-N 2.95Å; A156-S196 CarbonylContact C-O 3.54Å; A156-S196 WeakPolarHBondContact CA-O 3.45Å |
| 157 | S | 97.5 | Very high | 90.6 | Very high | 71 Ų | 71 | 60 Ų | 60 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 143.4 | 166.4 | 61.5 | 0 | 0 | 0 | 0 | 110.1 | A195 S196 | S157-A195 WeakPolarHBondContact O-CA 3.34Å; S157-S196 PolarHBondContact N-O 2.81Å; S157-S196 PolarHBondContact O-N 3.48Å; S157-S196 PolarHBondContact OG-O 2.82Å |
| 158 | I | 98.3 | Very high | 89.3 | Confident | 12 Ų | 12 | 59.6 Ų | 59.6 | 6% | 0.062 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 131.4 | 178.5 | -62.7 | -176.7 | 0 | 0 | 0 | 109.8 | C148 A150 E174 G175 E176 C193 I194 | C148-I158 HydrophobicContact CB-CG2 4.36Å; C148-I158 WeakPolarHBondContact O-CD1 3.33Å; A150-I158 HydrophobicContact CB-CD1 3.99Å; A150-I158 HydrophobicContact CB-CG1 4.16Å; I158-E174 WeakPolarHBondContact O-CA 3.32Å; I158-G175 VanDerWaalsContact CG2-O 3.31Å; I158-G175 WeakPolarHBondContact CG2-O 3.4Å; I158-G175 PolarHBondContact O-N 2.86Å; I158-E176 HydrophobicContact CD1-CG 4.09Å; I158-C193 VanDerWaalsContact CG2-SG 3.57Å; I158-I194 WeakPolarHBondContact CA-O 3.38Å |
| 159 | T | 97.8 | Very high | 88.2 | Confident | 35 Ų | 35 | 64.2 Ų | 64.2 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 135 | 175.5 | -53.8 | 0 | 0 | 0 | 0 | 110.4 | F171 I194 | T159-F171 HydrophobicContact CG2-CD2 3.76Å; T159-F171 HydrophobicContact CG2-CE2 3.6Å; T159-I194 PolarHBondContact N-O 3.25Å; T159-I194 PolarHBondContact O-N 2.8Å |
| 160 | W | 97.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 136.1 | 174.6 | -72.5 | 96.4 | 0 | 0 | 0 | 112.1 | I132 L146 C148 V172 T173 G175 L178 E192 C193 V207 | I132-W160 HydrophobicContact CD1-CH2 4.38Å; I132-W160 HydrophobicContact CG1-CH2 4.31Å; L146-W160 HydrophobicContact CB-CH2 3.85Å; L146-W160 HydrophobicContact CB-CZ2 4.13Å; L146-W160 HydrophobicContact CB-CZ3 4.37Å; L146-W160 HydrophobicContact CD1-CZ3 4.39Å; C148-W160 HydrophobicContact CB-CH2 3.83Å; C148-W160 HydrophobicContact CB-CZ2 3.35Å; W160-V172 HydrophobicContact CB-CB 4.32Å; W160-V172 PolarHBondContact O-N 3.39Å; W160-T173 HydrophobicContact CB-CG2 4.2Å; W160-T173 HydrophobicContact CG-CG2 4.37Å; W160-T173 PolarHBondContact N-O 3.19Å; W160-G175 PolarHBondContact NE1-O 2.77Å; W160-G175 VanDerWaalsContact NE1-O 3.15Å; W160-L178 HydrophobicContact CB-CD2 4.01Å; W160-L178 HydrophobicContact CD2-CB 3.94Å; W160-L178 HydrophobicContact CD2-CD2 4.05Å; W160-L178 HydrophobicContact CE3-CD2 4.13Å; W160-L178 HydrophobicContact CG-CB 3.87Å; W160-L178 HydrophobicContact CG-CD2 4.04Å; W160-E192 WeakPolarHBondContact CA-O 3.4Å; W160-C193 HydrophobicContact CD2-CB 4.39Å; W160-C193 HydrophobicContact CE3-CB 4.06Å; W160-C193 HydrophobicContact CH2-CB 3.95Å; W160-C193 HydrophobicContact CZ2-CB 4.27Å; W160-C193 HydrophobicContact CZ3-CB 3.83Å; W160-V207 HydrophobicContact CH2-CG1 4.4Å; W160-V207 HydrophobicContact CZ3-CG1 3.96Å |
| 161 | R | 95 | Very high | 87 | Confident | 74 Ų | 74 | 73.2 Ų | 73.2 | 28% | 0.279 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 130.2 | -179.7 | -166.8 | 167.2 | 74.1 | 179.7 | -2.4 | 110.5 | H169 K170 Y191 E192 I194 | R161-H169 HydrophobicContact CG-CB 3.87Å; R161-H169 PolarHBondContact NE-ND1 3.33Å; R161-K170 WeakPolarHBondContact CA-O 2.95Å; R161-Y191 CarbonylContact O-C 3.47Å; R161-Y191 WeakPolarHBondContact O-CA 3.48Å; R161-E192 HydrophobicContact CB-CB 4.36Å; R161-E192 IonicContact CZ-OE2 3.04Å; R161-E192 PolarHBondContact N-O 2.78Å; R161-E192 IonicContact NE-OE2 2.63Å; R161-E192 PolarHBondContact NE-OE2 2.68Å; R161-E192 IonicContact NH2-OE1 3.97Å; R161-E192 IonicContact NH2-OE2 3.37Å; R161-E192 PolarHBondContact NH2-OE2 2.76Å; R161-E192 PolarHBondContact O-N 2.87Å; R161-I194 HydrophobicContact CB-CD1 4.13Å |
| 162 | H | 93.1 | Very high | 86.4 | Confident | 18 Ų | 18 | 71.9 Ų | 71.9 | 8% | 0.083 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 126 | 175.6 | 179.6 | -131.7 | 0 | 0 | 0 | 109.7 | H169 K170 V172 Q187 Y191 | H162-H169 WeakPolarHBondContact O-CA 3.42Å; H162-K170 PolarHBondContact N-O 2.85Å; H162-K170 PolarHBondContact O-N 3.23Å; H162-V172 HydrophobicContact CB-CG2 3.59Å; H162-Q187 PolarHBondContact NE2-O 2.85Å; H162-Y191 HydrophobicContact CB-CD1 4.1Å; H162-Y191 HydrophobicContact CB-CE1 3.85Å; H162-Y191 AromaticContact CD2-CD2 3.85Å; H162-Y191 AromaticContact CD2-CE1 3.68Å; H162-Y191 AromaticContact CD2-CE2 3.44Å; H162-Y191 VanDerWaalsContact CD2-CE2 3.44Å; H162-Y191 WeakPolarHBondContact CD2-CE2 3.37Å; H162-Y191 AromaticContact CD2-CZ 3.36Å; H162-Y191 AromaticContact CG-CE1 3.95Å; H162-Y191 AromaticContact CG-CZ 3.96Å; H162-Y191 AromaticContact NE2-CE2 3.79Å; H162-Y191 AromaticContact NE2-CZ 3.82Å |
| 163 | Q | 88.4 | Confident | 86.3 | Confident | 66 Ų | 66 | 73 Ų | 73 | 31% | 0.308 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 106.3 | 169.4 | -169 | 176.9 | 33 | 0 | 0 | 108.4 | T190 | Q163-T190 PolarHBondContact N-O 2.86Å; Q163-T190 PolarHBondContact O-N 2.88Å |
| 164 | S | 72.1 | Confident | 86.2 | Confident | 37 Ų | 37 | 76 Ų | 76 | 26% | 0.259 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 148.2 | 179.1 | -177.9 | 0 | 0 | 0 | 0 | 111 | R166 G167 G168 | S164-R166 PolarHBondContact O-N 2.8Å; S164-R166 VanDerWaalsContact O-N 3.09Å; S164-R166 PolarHBondContact OG-N 2.81Å; S164-G167 PolarHBondContact O-N 2.87Å; S164-G168 PolarHBondContact N-O 3.49Å |
| 165 | A | 63.4 | Low | 86.2 | Confident | 97 Ų | 97 | 74.1 Ų | 74.1 | 80% | 0.802 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -19.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114 | G167 | A165-G167 VanDerWaalsContact C-N 3.31Š|
| 166 | R | 65.6 | Low | 86.3 | Confident | 211 Ų | 211 | 69.5 Ų | 69.5 | 80% | 0.796 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 3.6 | 176.2 | -55.7 | -174.1 | -156.2 | -178.1 | 7.5 | 113.6 | S164 | S164-R166 PolarHBondContact O-N 2.8Å; S164-R166 VanDerWaalsContact O-N 3.09Å; S164-R166 PolarHBondContact OG-N 2.81Å |
| 167 | G | 61.4 | Low | 86.3 | Confident | 52 Ų | 52 | 73 Ų | 73 | 54% | 0.536 | 40% | 0.398 | S | S | . | . | S | Bend | trans | 82.7 | 151 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112 | S164 A165 | S164-G167 PolarHBondContact O-N 2.87Å; A165-G167 VanDerWaalsContact C-N 3.31Å |
| 168 | G | 71.9 | Confident | 86.2 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 49% | 0.485 | 38% | 0.375 | S | S | . | . | trans | 107.1 | 145.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S164 | S164-G168 PolarHBondContact N-O 3.49Š| ||
| 169 | H | 76 | Confident | 86.2 | Confident | 98 Ų | 98 | 75.6 Ų | 75.6 | 45% | 0.454 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.7 | 176.7 | -65.8 | -91.1 | 0 | 0 | 0 | 109 | R161 H162 E192 | R161-H169 HydrophobicContact CG-CB 3.87Å; R161-H169 PolarHBondContact NE-ND1 3.33Å; H162-H169 WeakPolarHBondContact O-CA 3.42Å; H169-E192 IonicContact CE1-OE2 2.63Å; H169-E192 PolarHBondContact CE1-OE2 3.16Å; H169-E192 IonicContact ND1-OE2 3.79Å; H169-E192 PolarHBondContact ND1-OE2 3.38Å; H169-E192 VanDerWaalsContact ND1-OE2 3.16Å |
| 170 | K | 85.1 | Confident | 86 | Confident | 154 Ų | 154 | 74.3 Ų | 74.3 | 67% | 0.67 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.9 | 176 | -172.1 | 178.9 | 174.1 | -176.2 | 0 | 109.3 | R161 H162 V172 | R161-K170 WeakPolarHBondContact CA-O 2.95Å; H162-K170 PolarHBondContact N-O 2.85Å; H162-K170 PolarHBondContact O-N 3.23Å; K170-V172 PolarHBondContact O-N 3.41Å |
| 171 | F | 84.9 | Confident | 86 | Confident | 120 Ų | 120 | 79.8 Ų | 79.8 | 53% | 0.526 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 134.3 | 168.1 | 173.3 | -88.5 | 0 | 0 | 0 | 109.5 | T159 E174 | T159-F171 HydrophobicContact CG2-CD2 3.76Å; T159-F171 HydrophobicContact CG2-CE2 3.6Å; F171-E174 HydrophobicContact CE2-CG 3.97Å; F171-E174 HydrophobicContact CZ-CG 3.96Å |
| 172 | V | 85.4 | Confident | 86 | Confident | 51 Ų | 51 | 79.7 Ų | 79.7 | 31% | 0.309 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -62.6 | -179.6 | -168.8 | 0 | 0 | 0 | 0 | 110.6 | W160 H162 K170 L178 Y191 | W160-V172 HydrophobicContact CB-CB 4.32Å; W160-V172 PolarHBondContact O-N 3.39Å; H162-V172 HydrophobicContact CB-CG2 3.59Å; K170-V172 PolarHBondContact O-N 3.41Å; V172-L178 HydrophobicContact CB-CD1 4.4Å; V172-L178 HydrophobicContact CG1-CD1 3.4Å; V172-L178 VanDerWaalsContact CG1-CD1 3.4Å; V172-L178 HydrophobicContact CG1-CD2 4.1Å; V172-L178 HydrophobicContact CG1-CG 4.43Å; V172-Y191 HydrophobicContact CG2-CE1 4.39Å |
| 173 | T | 93.3 | Very high | 86.1 | Confident | 48 Ų | 48 | 78.9 Ų | 78.9 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 166.3 | -178.3 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | W160 L178 | W160-T173 HydrophobicContact CB-CG2 4.2Å; W160-T173 HydrophobicContact CG-CG2 4.37Å; W160-T173 PolarHBondContact N-O 3.19Å; T173-L178 HydrophobicContact CG2-CB 4.22Å; T173-L178 HydrophobicContact CG2-CD1 3.82Å |
| 174 | E | 94.7 | Very high | 86.4 | Confident | 134 Ų | 134 | 78.2 Ų | 78.2 | 63% | 0.626 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 155.4 | 164.7 | -71.8 | 171.4 | -172.4 | 0 | 0 | 110.4 | I158 F171 | I158-E174 WeakPolarHBondContact O-CA 3.32Å; F171-E174 HydrophobicContact CE2-CG 3.97Å; F171-E174 HydrophobicContact CZ-CG 3.96Å |
| 175 | G | 95.6 | Very high | 87.4 | Confident | 33 Ų | 33 | 80.1 Ų | 80.1 | 34% | 0.34 | 43% | 0.433 | S | S | . | . | S | Bend | trans | 111.7 | 167.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I158 W160 H177 | I158-G175 VanDerWaalsContact CG2-O 3.31Å; I158-G175 WeakPolarHBondContact CG2-O 3.4Å; I158-G175 PolarHBondContact O-N 2.86Å; W160-G175 PolarHBondContact NE1-O 2.77Å; W160-G175 VanDerWaalsContact NE1-O 3.15Å; G175-H177 PolarHBondContact O-N 3.44Å |
| 176 | E | 97.1 | Very high | 88.7 | Confident | 84 Ų | 84 | 79.8 Ų | 79.8 | 39% | 0.393 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -65.7 | -27.3 | -176.9 | -59.6 | -159.8 | 134.2 | 0 | 0 | 113.2 | M147 C148 I158 | M147-E176 CarbonylContact C-O 3.49Å; M147-E176 WeakPolarHBondContact CA-O 3.31Å; C148-E176 PolarHBondContact N-O 2.83Å; C148-E176 VanDerWaalsContact O-CA 3.3Å; C148-E176 WeakPolarHBondContact O-CA 3.37Å; C148-E176 VanDerWaalsContact O-CB 3.31Å; C148-E176 WeakPolarHBondContact O-CB 3.44Å; I158-E176 HydrophobicContact CD1-CG 4.09Å |
| 177 | H | 97.1 | Very high | 89.9 | Confident | 90 Ų | 90 | 72.7 Ų | 72.7 | 42% | 0.417 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138.7 | -174.5 | -63.4 | 84.2 | 0 | 0 | 0 | 111.5 | L146 G175 | L146-H177 CarbonylContact O-C 3.59Å; L146-H177 WeakPolarHBondContact O-CA 3.46Å; G175-H177 PolarHBondContact O-N 3.44Å |
| 178 | L | 97.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 71.3 Ų | 71.3 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 111.4 | 171.1 | 165.8 | 58.6 | 0 | 0 | 0 | 109.2 | N145 L146 W160 V172 T173 L180 Y191 | N145-L178 WeakPolarHBondContact CA-O 3.41Å; N145-L178 PolarHBondContact OD1-O 3.38Å; L146-L178 HydrophobicContact CB-CB 4.3Å; L146-L178 HydrophobicContact CD1-CD2 4.18Å; L146-L178 PolarHBondContact N-O 2.87Å; L146-L178 PolarHBondContact O-N 3.28Å; W160-L178 HydrophobicContact CB-CD2 4.01Å; W160-L178 HydrophobicContact CD2-CB 3.94Å; W160-L178 HydrophobicContact CD2-CD2 4.05Å; W160-L178 HydrophobicContact CE3-CD2 4.13Å; W160-L178 HydrophobicContact CG-CB 3.87Å; W160-L178 HydrophobicContact CG-CD2 4.04Å; V172-L178 HydrophobicContact CB-CD1 4.4Å; V172-L178 HydrophobicContact CG1-CD1 3.4Å; V172-L178 VanDerWaalsContact CG1-CD1 3.4Å; V172-L178 HydrophobicContact CG1-CD2 4.1Å; V172-L178 HydrophobicContact CG1-CG 4.43Å; T173-L178 HydrophobicContact CG2-CB 4.22Å; T173-L178 HydrophobicContact CG2-CD1 3.82Å; L178-L180 HydrophobicContact CD1-CD2 3.98Å; L178-L180 HydrophobicContact CD1-CG 4.41Å; L178-L180 HydrophobicContact CD2-CD2 4.41Å; L178-L180 HydrophobicContact CG-CD2 4.24Å; L178-L180 HydrophobicContact CG-CG 4.23Å; L178-Y191 HydrophobicContact CD2-CD1 3.44Å; L178-Y191 VanDerWaalsContact CD2-CD1 3.44Å; L178-Y191 HydrophobicContact CD2-CE1 3.75Å; L178-Y191 HydrophobicContact CD2-CG 4.4Å |
| 179 | E | 96.3 | Very high | 92.5 | Very high | 133 Ų | 133 | 69.4 Ų | 69.4 | 62% | 0.621 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 122.2 | 175 | -63.3 | -175.8 | 175.7 | 0 | 0 | 110.8 | N145 | N145-E179 HydrophobicContact CB-CG 4.47Å |
| 180 | L | 95.5 | Very high | 93.4 | Very high | 9 Ų | 9 | 66.2 Ų | 66.2 | 5% | 0.047 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 104.2 | 174.1 | -59.6 | 171.4 | 0 | 0 | 0 | 107.5 | S143 V144 L146 L178 I183 Y191 | S143-L180 CarbonylContact C-O 3.54Å; S143-L180 WeakPolarHBondContact CA-O 3.47Å; V144-L180 HydrophobicContact CB-CB 4.37Å; V144-L180 PolarHBondContact N-O 3.15Å; V144-L180 PolarHBondContact O-N 2.9Å; L146-L180 HydrophobicContact CD1-CD1 4.44Å; L178-L180 HydrophobicContact CD1-CD2 3.98Å; L178-L180 HydrophobicContact CD1-CG 4.41Å; L178-L180 HydrophobicContact CD2-CD2 4.41Å; L178-L180 HydrophobicContact CG-CD2 4.24Å; L178-L180 HydrophobicContact CG-CG 4.23Å; L180-I183 HydrophobicContact CB-CD1 4.31Å; L180-I183 HydrophobicContact CD1-CD1 3.89Å; L180-Y191 HydrophobicContact CD1-CE1 3.9Å; L180-Y191 HydrophobicContact CD1-CE2 4.02Å; L180-Y191 WeakPolarHBondContact CD1-OH 3.31Å; L180-Y191 HydrophobicContact CD2-CE1 4.02Å |
| 181 | I | 96.1 | Very high | 93.9 | Very high | 114 Ų | 114 | 59 Ų | 59 | 59% | 0.585 | 31% | 0.31 | S | S | * | . | trans | -97 | 137.4 | -178.6 | -58 | 171.7 | 0 | 0 | 0 | 109.2 | I183 | I181-I183 PolarHBondContact O-N 2.98Š| ||
| 182 | S | 96.4 | Very high | 94.5 | Very high | 73 Ų | 73 | 53.8 Ų | 53.8 | 51% | 0.51 | 29% | 0.287 | S | S | . | . | S | Bend | trans | 50.6 | 53.1 | 178.6 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | S142 | S142-S182 PolarHBondContact O-N 3.09Š|
| 183 | I | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -61.4 | 134.5 | -169.5 | -163.6 | 172.1 | 0 | 0 | 0 | 112.6 | V138 G141 S142 L180 I181 Q187 V209 V211 | V138-I183 HydrophobicContact CG2-CG2 3.86Å; G141-I183 PolarHBondContact N-O 2.8Å; S142-I183 WeakPolarHBondContact O-CG2 3.3Å; S142-I183 PolarHBondContact O-N 3.33Å; L180-I183 HydrophobicContact CB-CD1 4.31Å; L180-I183 HydrophobicContact CD1-CD1 3.89Å; I181-I183 PolarHBondContact O-N 2.98Å; I183-Q187 HydrophobicContact CD1-CB 4.27Å; I183-Q187 HydrophobicContact CG1-CB 3.73Å; I183-V209 HydrophobicContact CD1-CG1 3.64Å; I183-V211 HydrophobicContact CD1-CG2 3.69Å; I183-V211 HydrophobicContact CG1-CG2 3.93Å; I183-V211 HydrophobicContact CG2-CG1 4.33Å; I183-V211 HydrophobicContact CG2-CG2 4.09Å | ||
| 184 | T | 94.4 | Very high | 95.3 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 33% | 0.325 | 26% | 0.264 | S | S | . | . | trans | -97.8 | 161.4 | 176 | 83.9 | 0 | 0 | 0 | 0 | 112.2 | E186 Q187 | T184-E186 WeakPolarHBondContact CB-OE2 3.14Å; T184-E186 PolarHBondContact O-N 2.9Å; T184-E186 PolarHBondContact OG1-N 2.01Å; T184-E186 PolarHBondContact OG1-OE2 2.84Å; T184-Q187 WeakPolarHBondContact O-CB 3.31Å; T184-Q187 PolarHBondContact O-N 3.15Å | ||
| 185 | K | 92.1 | Very high | 95.5 | Very high | 76 Ų | 76 | 43.8 Ų | 43.8 | 33% | 0.33 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -57.2 | -28.3 | 175.1 | 69.4 | -170 | 177.2 | -165.3 | 0 | 114.2 | E140 Q187 S188 Y213 | E140-K185 PolarHBondContact OE1-N 2.84Å; K185-Q187 VanDerWaalsContact C-N 3.26Å; K185-Q187 PolarHBondContact O-N 3.02Å; K185-S188 WeakPolarHBondContact O-CB 3.4Å; K185-S188 PolarHBondContact O-N 2.83Å; K185-Y213 HydrophobicContact CB-CD1 3.48Å; K185-Y213 VanDerWaalsContact CB-CD1 3.48Å; K185-Y213 HydrophobicContact CB-CE1 3.79Å; K185-Y213 HydrophobicContact CB-CG 3.93Å; K185-Y213 HydrophobicContact CD-CD1 4.39Å; K185-Y213 HydrophobicContact CD-CD2 4.02Å; K185-Y213 HydrophobicContact CD-CE2 4.2Å; K185-Y213 HydrophobicContact CD-CG 4.13Å |
| 186 | E | 90.6 | Very high | 95.6 | Very high | 90 Ų | 90 | 43.3 Ų | 43.3 | 42% | 0.421 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -70.7 | -22.1 | 176.7 | -64.8 | 71 | -151.5 | 0 | 0 | 113.1 | T184 S188 | T184-E186 WeakPolarHBondContact CB-OE2 3.14Å; T184-E186 PolarHBondContact O-N 2.9Å; T184-E186 PolarHBondContact OG1-N 2.01Å; T184-E186 PolarHBondContact OG1-OE2 2.84Å; E186-S188 VanDerWaalsContact C-N 3.33Å |
| 187 | Q | 91.9 | Very high | 95.5 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 29% | 0.29 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -85.4 | -8.3 | 175.8 | -64.9 | 176.7 | -68.5 | 0 | 0 | 112.1 | H162 I183 T184 K185 Y191 | H162-Q187 PolarHBondContact NE2-O 2.85Å; I183-Q187 HydrophobicContact CD1-CB 4.27Å; I183-Q187 HydrophobicContact CG1-CB 3.73Å; T184-Q187 WeakPolarHBondContact O-CB 3.31Å; T184-Q187 PolarHBondContact O-N 3.15Å; K185-Q187 VanDerWaalsContact C-N 3.26Å; K185-Q187 PolarHBondContact O-N 3.02Å; Q187-Y191 WeakPolarHBondContact O-CE2 3.25Å; Q187-Y191 PolarHBondContact O-OH 2.98Å |
| 188 | S | 93.1 | Very high | 95.4 | Very high | 24 Ų | 24 | 42.8 Ų | 42.8 | 17% | 0.168 | 23% | 0.228 | C | C | . | . | trans | -61.5 | 139.8 | 168.8 | -170.7 | 0 | 0 | 0 | 0 | 110.8 | K185 E186 V209 V211 | K185-S188 WeakPolarHBondContact O-CB 3.4Å; K185-S188 PolarHBondContact O-N 2.83Å; E186-S188 VanDerWaalsContact C-N 3.33Å; S188-V209 WeakPolarHBondContact CA-O 3.45Å; S188-V209 PolarHBondContact OG-O 2.63Å; S188-V211 PolarHBondContact OG-N 2.82Å | ||
| 189 | G | 93.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.9 | -166.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q208 V209 | G189-Q208 PolarHBondContact O-NE2 3.04Å; G189-V209 PolarHBondContact N-O 2.94Å; G189-V209 PolarHBondContact O-N 2.9Å |
| 190 | T | 95.5 | Very high | 95 | Very high | 31 Ų | 31 | 39.1 Ų | 39.1 | 19% | 0.19 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.3 | -179.1 | -50.1 | 0 | 0 | 0 | 0 | 109.5 | Q163 R206 Q208 | Q163-T190 PolarHBondContact N-O 2.86Å; Q163-T190 PolarHBondContact O-N 2.88Å; T190-R206 HydrophobicContact CG2-CB 3.72Å; T190-R206 HydrophobicContact CG2-CG 4.1Å; T190-Q208 PolarHBondContact OG1-OE1 2.63Å |
| 191 | Y | 96.3 | Very high | 94.9 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 129.5 | 170.9 | -72 | -99.7 | 0 | 0 | 0 | 108.9 | L146 R161 H162 V172 L178 L180 Q187 R206 V207 V209 | L146-Y191 HydrophobicContact CD1-CD1 4.39Å; L146-Y191 HydrophobicContact CD1-CD2 4.33Å; L146-Y191 HydrophobicContact CD1-CG 3.99Å; R161-Y191 CarbonylContact O-C 3.47Å; R161-Y191 WeakPolarHBondContact O-CA 3.48Å; H162-Y191 HydrophobicContact CB-CD1 4.1Å; H162-Y191 HydrophobicContact CB-CE1 3.85Å; H162-Y191 AromaticContact CD2-CD2 3.85Å; H162-Y191 AromaticContact CD2-CE1 3.68Å; H162-Y191 AromaticContact CD2-CE2 3.44Å; H162-Y191 VanDerWaalsContact CD2-CE2 3.44Å; H162-Y191 WeakPolarHBondContact CD2-CE2 3.37Å; H162-Y191 AromaticContact CD2-CZ 3.36Å; H162-Y191 AromaticContact CG-CE1 3.95Å; H162-Y191 AromaticContact CG-CZ 3.96Å; H162-Y191 AromaticContact NE2-CE2 3.79Å; H162-Y191 AromaticContact NE2-CZ 3.82Å; V172-Y191 HydrophobicContact CG2-CE1 4.39Å; L178-Y191 HydrophobicContact CD2-CD1 3.44Å; L178-Y191 VanDerWaalsContact CD2-CD1 3.44Å; L178-Y191 HydrophobicContact CD2-CE1 3.75Å; L178-Y191 HydrophobicContact CD2-CG 4.4Å; L180-Y191 HydrophobicContact CD1-CE1 3.9Å; L180-Y191 HydrophobicContact CD1-CE2 4.02Å; L180-Y191 WeakPolarHBondContact CD1-OH 3.31Å; L180-Y191 HydrophobicContact CD2-CE1 4.02Å; Q187-Y191 WeakPolarHBondContact O-CE2 3.25Å; Q187-Y191 PolarHBondContact O-OH 2.98Å; Y191-R206 CarbonylContact O-C 3.54Å; Y191-R206 VanDerWaalsContact O-CA 3.31Å; Y191-R206 WeakPolarHBondContact O-CA 3.04Å; Y191-V207 PolarHBondContact N-O 3.39Å; Y191-V207 PolarHBondContact O-N 3.3Å; Y191-V209 HydrophobicContact CD2-CB 3.92Å; Y191-V209 HydrophobicContact CD2-CG2 3.46Å; Y191-V209 VanDerWaalsContact CD2-CG2 3.46Å; Y191-V209 HydrophobicContact CE2-CB 3.78Å; Y191-V209 HydrophobicContact CE2-CG1 4.45Å; Y191-V209 HydrophobicContact CE2-CG2 3.68Å; Y191-V209 HydrophobicContact CG-CG2 4.41Å |
| 192 | E | 96.9 | Very high | 94.9 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 123 | -179.3 | -47 | -175.3 | 119.6 | 0 | 0 | 108.6 | W160 R161 H169 I204 R205 R206 | W160-E192 WeakPolarHBondContact CA-O 3.4Å; R161-E192 HydrophobicContact CB-CB 4.36Å; R161-E192 IonicContact CZ-OE2 3.04Å; R161-E192 PolarHBondContact N-O 2.78Å; R161-E192 IonicContact NE-OE2 2.63Å; R161-E192 PolarHBondContact NE-OE2 2.68Å; R161-E192 IonicContact NH2-OE1 3.97Å; R161-E192 IonicContact NH2-OE2 3.37Å; R161-E192 PolarHBondContact NH2-OE2 2.76Å; R161-E192 PolarHBondContact O-N 2.87Å; H169-E192 IonicContact CE1-OE2 2.63Å; H169-E192 PolarHBondContact CE1-OE2 3.16Å; H169-E192 IonicContact ND1-OE2 3.79Å; H169-E192 PolarHBondContact ND1-OE2 3.38Å; H169-E192 VanDerWaalsContact ND1-OE2 3.16Å; E192-I204 HydrophobicContact CB-CG2 4.22Å; E192-R205 CarbonylContact C-O 3.52Å; E192-R205 WeakPolarHBondContact CA-O 3.39Å; E192-R206 HydrophobicContact CB-CG 4.42Å; E192-R206 HydrophobicContact CG-CG 3.97Å |
| 193 | C | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 127.9 | 164.4 | 173.5 | 0 | 0 | 0 | 0 | 108.5 | I129 I132 C148 I158 W160 I204 R205 | I129-C193 HydrophobicContact CD1-CB 4.3Å; I129-C193 WeakPolarHBondContact CD1-O 3.47Å; I132-C193 HydrophobicContact CD1-CB 3.85Å; C148-C193 HydrophobicContact CB-CB 3.62Å; C148-C193 WeakPolarHBondContact CB-SG 3.18Å; C148-C193 WeakPolarHBondContact SG-CB 3.48Å; C148-C193 CovalentContact SG-SG 2.01Å; C148-C193 PolarHBondContact SG-SG 3.41Å; I158-C193 VanDerWaalsContact CG2-SG 3.57Å; W160-C193 HydrophobicContact CD2-CB 4.39Å; W160-C193 HydrophobicContact CE3-CB 4.06Å; W160-C193 HydrophobicContact CH2-CB 3.95Å; W160-C193 HydrophobicContact CZ2-CB 4.27Å; W160-C193 HydrophobicContact CZ3-CB 3.83Å; C193-I204 WeakPolarHBondContact O-CA 3.38Å; C193-R205 PolarHBondContact N-O 3.2Å; C193-R205 PolarHBondContact O-N 2.95Å |
| 194 | I | 97.9 | Very high | 95.1 | Very high | 24 Ų | 24 | 42.9 Ų | 42.9 | 12% | 0.123 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.6 | -178.1 | -55.4 | 171.4 | 0 | 0 | 0 | 107.2 | I158 T159 R161 I204 | I158-I194 WeakPolarHBondContact CA-O 3.38Å; T159-I194 PolarHBondContact N-O 3.25Å; T159-I194 PolarHBondContact O-N 2.8Å; R161-I194 HydrophobicContact CB-CD1 4.13Å; I194-I204 HydrophobicContact CG1-CG1 4.21Å; I194-I204 HydrophobicContact CG1-CG2 4.33Å; I194-I204 HydrophobicContact CG2-CG1 4.26Å |
| 195 | A | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | A127 I129 A150 S157 S202 D203 | A127-A195 HydrophobicContact CB-CB 4.26Å; I129-A195 HydrophobicContact CD1-CB 4.14Å; I129-A195 HydrophobicContact CG1-CB 3.58Å; A150-A195 HydrophobicContact CB-CB 3.46Å; A150-A195 VanDerWaalsContact CB-CB 3.46Å; S157-A195 WeakPolarHBondContact O-CA 3.34Å; A195-S202 CarbonylContact O-C 3.58Å; A195-S202 WeakPolarHBondContact O-CA 3.35Å; A195-S202 VanDerWaalsContact O-CB 3.29Å; A195-S202 WeakPolarHBondContact O-CB 3.29Å; A195-D203 PolarHBondContact N-O 2.89Å; A195-D203 PolarHBondContact O-N 3.45Å |
| 196 | S | 97.3 | Very high | 95.5 | Very high | 22 Ų | 22 | 49.9 Ų | 49.9 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 150.4 | -180 | -164.2 | 0 | 0 | 0 | 0 | 111.7 | A156 S157 D198 S202 | A156-S196 CarbonylContact C-O 3.54Å; A156-S196 WeakPolarHBondContact CA-O 3.45Å; S157-S196 PolarHBondContact N-O 2.81Å; S157-S196 PolarHBondContact O-N 3.48Å; S157-S196 PolarHBondContact OG-O 2.82Å; S196-D198 PolarHBondContact OG-N 3.42Å; S196-S202 PolarHBondContact OG-OG 3.44Å |
| 197 | N | 96.3 | Very high | 95.8 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | trans | -143.5 | 23.1 | 165.8 | 66 | -11.4 | 0 | 0 | 0 | 111.7 | V125 A127 R153 P154 I199 | V125-N197 PolarHBondContact O-ND2 2.87Å; A127-N197 HydrophobicContact CB-CB 4.28Å; A127-N197 PolarHBondContact N-OD1 2.98Å; A127-N197 VanDerWaalsContact N-OD1 3.08Å; R153-N197 PolarHBondContact N-ND2 3.17Å; P154-N197 VanDerWaalsContact O-CB 3.3Å; P154-N197 WeakPolarHBondContact O-CB 3.32Å; P154-N197 PolarHBondContact O-ND2 2.84Å; N197-I199 WeakPolarHBondContact O-CD1 3.46Å; N197-I199 WeakPolarHBondContact O-CG1 3.46Å; N197-I199 PolarHBondContact O-N 2.96Å; N197-I199 WeakPolarHBondContact OD1-CB 3.4Å; N197-I199 WeakPolarHBondContact OD1-CG1 3.4Å | ||
| 198 | D | 93.9 | Very high | 96 | Very high | 150 Ų | 150 | 45.7 Ų | 45.7 | 80% | 0.802 | 24% | 0.242 | S | C | * | . | S | Bend | trans | 58.5 | 10.5 | 178.6 | -52.6 | -35 | 0 | 0 | 0 | 115.5 | S196 | S196-D198 PolarHBondContact OG-N 3.42Š|
| 199 | I | 92.1 | Very high | 96.1 | Very high | 18 Ų | 18 | 44.5 Ų | 44.5 | 9% | 0.092 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -84.8 | -36.7 | 177.9 | -55.5 | -41.4 | 0 | 0 | 0 | 111.1 | R38 Q124 P126 N197 | R38-I199 HydrophobicContact CG-CG2 3.98Å; R38-I199 VanDerWaalsContact CZ-O 3.3Å; R38-I199 PolarHBondContact NE-O 3.13Å; R38-I199 PolarHBondContact NH2-O 3.08Å; Q124-I199 HydrophobicContact CB-CD1 4.24Å; Q124-I199 HydrophobicContact CB-CG1 4.16Å; Q124-I199 HydrophobicContact CB-CG2 4.06Å; Q124-I199 HydrophobicContact CG-CD1 4.01Å; Q124-I199 HydrophobicContact CG-CG1 4.43Å; P126-I199 HydrophobicContact CG-CG2 4.32Å; N197-I199 WeakPolarHBondContact O-CD1 3.46Å; N197-I199 WeakPolarHBondContact O-CG1 3.46Å; N197-I199 PolarHBondContact O-N 2.96Å; N197-I199 WeakPolarHBondContact OD1-CB 3.4Å; N197-I199 WeakPolarHBondContact OD1-CG1 3.4Å |
| 200 | S | 91.9 | Very high | 96.2 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 30% | 0.301 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -143.9 | -176.7 | 179.8 | 66.9 | 0 | 0 | 0 | 0 | 110.7 | P126 S202 | P126-S200 WeakPolarHBondContact CB-OG 3.41Å; S200-S202 PolarHBondContact O-N 2.98Å |
| 201 | S | 94 | Very high | 96.2 | Very high | 106 Ų | 106 | 44.6 Ų | 44.6 | 74% | 0.741 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -52.2 | 139.4 | 163.4 | 54.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 202 | S | 96.6 | Very high | 96.3 | Very high | 47 Ų | 47 | 45.5 Ų | 45.5 | 33% | 0.329 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 142.6 | 176.9 | -46.7 | 0 | 0 | 0 | 0 | 111.3 | A195 S196 S200 | A195-S202 CarbonylContact O-C 3.58Å; A195-S202 WeakPolarHBondContact O-CA 3.35Å; A195-S202 VanDerWaalsContact O-CB 3.29Å; A195-S202 WeakPolarHBondContact O-CB 3.29Å; S196-S202 PolarHBondContact OG-OG 3.44Å; S200-S202 PolarHBondContact O-N 2.98Å |
| 203 | D | 98.1 | Very high | 96.3 | Very high | 46 Ų | 46 | 46.2 Ų | 46.2 | 25% | 0.246 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 132.7 | 169.2 | -170.8 | 14.9 | 0 | 0 | 0 | 108.7 | I129 A195 | I129-D203 HydrophobicContact CD1-CB 4.47Å; I129-D203 WeakPolarHBondContact CD1-O 3.47Å; I129-D203 HydrophobicContact CG1-CB 4.32Å; I129-D203 PolarHBondContact N-OD2 3.42Å; A195-D203 PolarHBondContact N-O 2.89Å; A195-D203 PolarHBondContact O-N 3.45Å |
| 204 | I | 97.6 | Very high | 96.3 | Very high | 77 Ų | 77 | 49.1 Ų | 49.1 | 40% | 0.395 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 124 | -173.8 | -55.1 | 178.7 | 0 | 0 | 0 | 109 | E192 C193 I194 | E192-I204 HydrophobicContact CB-CG2 4.22Å; C193-I204 WeakPolarHBondContact O-CA 3.38Å; I194-I204 HydrophobicContact CG1-CG1 4.21Å; I194-I204 HydrophobicContact CG1-CG2 4.33Å; I194-I204 HydrophobicContact CG2-CG1 4.26Å |
| 205 | R | 97.8 | Very high | 96.3 | Very high | 109 Ų | 109 | 48.4 Ų | 48.4 | 41% | 0.411 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 156.5 | 170.8 | -66.9 | -160.9 | -172 | -152.9 | 8.4 | 111.1 | I129 I132 E192 C193 | I129-R205 HydrophobicContact CB-CG 4.16Å; I129-R205 HydrophobicContact CD1-CB 3.95Å; I129-R205 HydrophobicContact CD1-CG 3.9Å; I129-R205 HydrophobicContact CG2-CB 4.42Å; I129-R205 HydrophobicContact CG2-CG 4.1Å; I129-R205 PolarHBondContact O-NH2 3.1Å; I129-R205 VanDerWaalsContact O-NH2 3.15Å; I132-R205 HydrophobicContact CD1-CB 3.68Å; I132-R205 HydrophobicContact CG2-CB 4.38Å; E192-R205 CarbonylContact C-O 3.52Å; E192-R205 WeakPolarHBondContact CA-O 3.39Å; C193-R205 PolarHBondContact N-O 3.2Å; C193-R205 PolarHBondContact O-N 2.95Å |
| 206 | R | 96.6 | Very high | 96.1 | Very high | 166 Ų | 166 | 54 Ų | 54 | 63% | 0.626 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 145.2 | -171.1 | -59.9 | -167.5 | -69.5 | -119.7 | -6.4 | 110.9 | T190 Y191 E192 | T190-R206 HydrophobicContact CG2-CB 3.72Å; T190-R206 HydrophobicContact CG2-CG 4.1Å; Y191-R206 CarbonylContact O-C 3.54Å; Y191-R206 VanDerWaalsContact O-CA 3.31Å; Y191-R206 WeakPolarHBondContact O-CA 3.04Å; E192-R206 HydrophobicContact CB-CG 4.42Å; E192-R206 HydrophobicContact CG-CG 3.97Å |
| 207 | V | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.4 | 173.2 | 61.6 | 0 | 0 | 0 | 0 | 109.2 | S133 K134 L146 W160 Y191 | S133-V207 WeakPolarHBondContact O-CG2 3.33Å; K134-V207 VanDerWaalsContact C-CG2 3.47Å; K134-V207 VanDerWaalsContact O-CG2 3.23Å; K134-V207 WeakPolarHBondContact O-CG2 3.48Å; L146-V207 HydrophobicContact CD1-CG1 3.81Å; L146-V207 HydrophobicContact CD2-CG1 4.26Å; L146-V207 HydrophobicContact CD2-CG2 4.27Å; W160-V207 HydrophobicContact CH2-CG1 4.4Å; W160-V207 HydrophobicContact CZ3-CG1 3.96Å; Y191-V207 PolarHBondContact N-O 3.39Å; Y191-V207 PolarHBondContact O-N 3.3Å |
| 208 | Q | 96.1 | Very high | 96.1 | Very high | 63 Ų | 63 | 56.4 Ų | 56.4 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 126.1 | 177.6 | -177.6 | 62.7 | 46.7 | 0 | 0 | 110.1 | D135 V136 G189 T190 | D135-Q208 WeakPolarHBondContact CA-O 3.15Å; D135-Q208 HydrophobicContact CB-CB 4.12Å; D135-Q208 PolarHBondContact OD1-N 2.83Å; V136-Q208 PolarHBondContact N-O 2.85Å; G189-Q208 PolarHBondContact O-NE2 3.04Å; T190-Q208 PolarHBondContact OG1-OE1 2.63Å |
| 209 | V | 96.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 113.1 | 170.2 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | V136 L146 I183 S188 G189 Y191 V211 | V136-V209 HydrophobicContact CG1-CB 4.35Å; V136-V209 HydrophobicContact CG1-CG1 4.18Å; V136-V209 HydrophobicContact CG1-CG2 3.94Å; L146-V209 HydrophobicContact CD1-CG2 3.87Å; L146-V209 HydrophobicContact CD2-CG2 4.31Å; I183-V209 HydrophobicContact CD1-CG1 3.64Å; S188-V209 WeakPolarHBondContact CA-O 3.45Å; S188-V209 PolarHBondContact OG-O 2.63Å; G189-V209 PolarHBondContact N-O 2.94Å; G189-V209 PolarHBondContact O-N 2.9Å; Y191-V209 HydrophobicContact CD2-CB 3.92Å; Y191-V209 HydrophobicContact CD2-CG2 3.46Å; Y191-V209 VanDerWaalsContact CD2-CG2 3.46Å; Y191-V209 HydrophobicContact CE2-CB 3.78Å; Y191-V209 HydrophobicContact CE2-CG1 4.45Å; Y191-V209 HydrophobicContact CE2-CG2 3.68Å; Y191-V209 HydrophobicContact CG-CG2 4.41Å; V209-V211 HydrophobicContact CG1-CG2 4.44Å |
| 210 | T | 95.8 | Very high | 96.3 | Very high | 40 Ų | 40 | 53.1 Ų | 53.1 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 123.5 | 177 | -57.6 | 0 | 0 | 0 | 0 | 109.2 | V136 T137 V138 V240 | V136-T210 PolarHBondContact O-N 3.21Å; T137-T210 CarbonylContact C-O 3.54Å; T137-T210 VanDerWaalsContact CA-O 3.26Å; T137-T210 WeakPolarHBondContact CA-O 3.26Å; T137-T210 HydrophobicContact CG2-CG2 4.08Å; V138-T210 PolarHBondContact N-O 2.82Å; T210-V240 HydrophobicContact CG2-CG1 3.76Å |
| 211 | V | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 121.4 | 177.3 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | V138 E140 I183 S188 V209 Y213 V240 | V138-V211 CarbonylContact O-C 3.25Å; V138-V211 VanDerWaalsContact O-CA 3.32Å; V138-V211 WeakPolarHBondContact O-CA 3.46Å; E140-V211 HydrophobicContact CB-CG1 3.9Å; I183-V211 HydrophobicContact CD1-CG2 3.69Å; I183-V211 HydrophobicContact CG1-CG2 3.93Å; I183-V211 HydrophobicContact CG2-CG1 4.33Å; I183-V211 HydrophobicContact CG2-CG2 4.09Å; S188-V211 PolarHBondContact OG-N 2.82Å; V209-V211 HydrophobicContact CG1-CG2 4.44Å; V211-Y213 VanDerWaalsContact O-CD1 3.31Å; V211-Y213 WeakPolarHBondContact O-CD1 3.37Å; V211-V240 WeakPolarHBondContact O-CB 3.29Å; V211-V240 WeakPolarHBondContact O-CG1 3.22Å |
| 212 | N | 97.6 | Very high | 96.2 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 132.5 | 172.3 | -61.5 | -34.8 | 0 | 0 | 0 | 110 | T137 V138 N139 E140 V240 M293 | T137-N212 WeakPolarHBondContact CG2-OD1 3.48Å; V138-N212 PolarHBondContact O-N 3.36Å; N139-N212 WeakPolarHBondContact OD1-CB 3.32Å; N139-N212 PolarHBondContact OD1-ND2 3.29Å; E140-N212 PolarHBondContact N-O 2.86Å; N212-V240 CarbonylContact C-O 3.55Å; N212-V240 WeakPolarHBondContact CA-O 3.44Å; N212-V240 WeakPolarHBondContact CB-O 3.34Å; N212-M293 HydrophobicContact CB-CE 4.18Å; N212-M293 HydrophobicContact CB-CG 3.94Å; N212-M293 HydrophobicContact CB-SD 3.88Å |
| 213 | Y | 96.8 | Very high | 96 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 9% | 0.09 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 150.5 | 178.3 | 59.5 | -90.6 | 0 | 0 | 0 | 111 | K185 V211 S238 A239 V240 N291 | K185-Y213 HydrophobicContact CB-CD1 3.48Å; K185-Y213 VanDerWaalsContact CB-CD1 3.48Å; K185-Y213 HydrophobicContact CB-CE1 3.79Å; K185-Y213 HydrophobicContact CB-CG 3.93Å; K185-Y213 HydrophobicContact CD-CD1 4.39Å; K185-Y213 HydrophobicContact CD-CD2 4.02Å; K185-Y213 HydrophobicContact CD-CE2 4.2Å; K185-Y213 HydrophobicContact CD-CG 4.13Å; V211-Y213 VanDerWaalsContact O-CD1 3.31Å; V211-Y213 WeakPolarHBondContact O-CD1 3.37Å; Y213-S238 PolarHBondContact OH-OG 3.19Å; Y213-A239 VanDerWaalsContact CE2-CA 3.46Å; Y213-V240 HydrophobicContact CD1-CB 3.96Å; Y213-V240 HydrophobicContact CD1-CG2 4.19Å; Y213-V240 HydrophobicContact CE1-CB 3.68Å; Y213-V240 HydrophobicContact CE1-CG2 3.39Å; Y213-V240 PolarHBondContact N-O 3.31Å; Y213-V240 PolarHBondContact O-N 3.29Å; Y213-N291 PolarHBondContact O-ND2 2.92Å |
| 214 | P | 97.7 | Very high | 95.8 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 40% | 0.403 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 156.5 | 178.8 | 27.6 | -35.5 | 0 | 0 | 0 | 112 | M293 | P214-M293 HydrophobicContact CB-CB 4.17Å |
| 215 | P | 97.3 | Very high | 95.6 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.052 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 140.7 | 179.9 | 28.3 | -35.5 | 0 | 0 | 0 | 111.5 | S238 A239 A243 A289 N291 G294 T296 | P215-S238 WeakPolarHBondContact CA-O 3.34Å; P215-A239 HydrophobicContact CB-CB 3.84Å; P215-A243 HydrophobicContact CB-CB 4.04Å; P215-A289 HydrophobicContact CB-CB 4.06Å; P215-A289 VanDerWaalsContact CG-O 3.23Å; P215-A289 WeakPolarHBondContact CG-O 3.44Å; P215-N291 VanDerWaalsContact CD-OD1 3.28Å; P215-N291 WeakPolarHBondContact CD-OD1 3.42Å; P215-G294 VanDerWaalsContact CD-O 3.3Å; P215-G294 WeakPolarHBondContact CD-O 3.33Å; P215-G294 WeakPolarHBondContact CG-O 3.17Å; P215-T296 HydrophobicContact CB-CG2 3.79Å; P215-T296 HydrophobicContact CG-CG2 3.92Å; P215-T296 WeakPolarHBondContact O-CB 3.4Å; P215-T296 VanDerWaalsContact O-CG2 3.23Å; P215-T296 WeakPolarHBondContact O-CG2 3.21Å |
| 216 | F | 95.9 | Very high | 95.4 | Very high | 118 Ų | 118 | 47.4 Ų | 47.4 | 52% | 0.518 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126 | 169.3 | 154.4 | -99.1 | 0 | 0 | 0 | 108.6 | S218 A237 S238 | F216-S218 PolarHBondContact O-N 2.95Å; F216-S218 VanDerWaalsContact O-N 3.12Å; F216-A237 CarbonylContact O-C 3.53Å; F216-A237 VanDerWaalsContact O-CA 3.26Å; F216-A237 WeakPolarHBondContact O-CA 3.44Å; F216-S238 PolarHBondContact N-O 2.76Å; F216-S238 PolarHBondContact O-N 2.9Å |
| 217 | I | 96.8 | Very high | 95.3 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 11% | 0.113 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 107.4 | 177.6 | -71.6 | 163.9 | 0 | 0 | 0 | 108.9 | K219 A220 E236 A237 T296 A298 | I217-K219 VanDerWaalsContact C-N 3.34Å; I217-A220 HydrophobicContact CG2-CB 4.08Å; I217-E236 CarbonylContact C-O 3.53Å; I217-E236 VanDerWaalsContact CA-O 3.32Å; I217-E236 WeakPolarHBondContact CA-O 3.3Å; I217-A237 HydrophobicContact CG1-CB 4.28Å; I217-T296 HydrophobicContact CD1-CG2 3.99Å; I217-T296 HydrophobicContact CG1-CG2 3.8Å; I217-A298 HydrophobicContact CB-CB 4.41Å; I217-A298 HydrophobicContact CD1-CB 3.51Å; I217-A298 VanDerWaalsContact CD1-N 3.29Å; I217-A298 HydrophobicContact CG2-CB 3.94Å |
| 218 | S | 95.3 | Very high | 95.2 | Very high | 64 Ų | 64 | 45.5 Ų | 45.5 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -20 | 178.5 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | F216 E236 | F216-S218 PolarHBondContact O-N 2.95Å; F216-S218 VanDerWaalsContact O-N 3.12Å; S218-E236 PolarHBondContact N-O 3.16Å; S218-E236 PolarHBondContact OG-O 3.12Å |
| 219 | K | 95.5 | Very high | 95.2 | Very high | 55 Ų | 55 | 47.9 Ų | 47.9 | 24% | 0.239 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 132.6 | -178 | -168.2 | -179.6 | 172.2 | -167.7 | 0 | 111.5 | I217 R221 C235 E236 | I217-K219 VanDerWaalsContact C-N 3.34Å; K219-R221 VanDerWaalsContact CE-NH2 3.33Å; K219-R221 HydrophobicContact CG-CG 4.25Å; K219-C235 CarbonylContact O-C 3.59Å; K219-C235 WeakPolarHBondContact O-CA 3.34Å; K219-E236 HydrophobicContact CB-CB 3.96Å; K219-E236 HydrophobicContact CB-CG 4.24Å; K219-E236 HydrophobicContact CD-CG 4.32Å; K219-E236 WeakPolarHBondContact CD-OE2 3.36Å; K219-E236 PolarHBondContact N-O 2.73Å; K219-E236 IonicContact NZ-OE1 2.98Å; K219-E236 PolarHBondContact NZ-OE1 3.1Å; K219-E236 VanDerWaalsContact NZ-OE1 3.15Å; K219-E236 PolarHBondContact O-N 3.47Å |
| 220 | A | 95.4 | Very high | 95.1 | Very high | 43 Ų | 43 | 55.1 Ų | 55.1 | 36% | 0.355 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 117.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | I217 A298 I300 | I217-A220 HydrophobicContact CG2-CB 4.08Å; A220-A298 HydrophobicContact CB-CB 3.9Å; A220-I300 HydrophobicContact CB-CD1 3.95Å; A220-I300 HydrophobicContact CB-CG1 3.8Å |
| 221 | R | 92.4 | Very high | 95.1 | Very high | 136 Ų | 136 | 53.2 Ų | 53.2 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 115 | -174.3 | -75.1 | -172.7 | 171.5 | 170.8 | -1.4 | 111.6 | K219 Q234 I300 | K219-R221 VanDerWaalsContact CE-NH2 3.33Å; K219-R221 HydrophobicContact CG-CG 4.25Å; R221-Q234 HydrophobicContact CB-CB 4.33Å; R221-Q234 PolarHBondContact N-O 2.88Å; R221-I300 VanDerWaalsContact C-CG2 3.5Å; R221-I300 WeakPolarHBondContact O-CG2 3.4Å |
| 222 | S | 90.9 | Very high | 95.1 | Very high | 47 Ų | 47 | 55.1 Ų | 55.1 | 33% | 0.329 | 31% | 0.306 | S | S | . | . | trans | -71.5 | 148.4 | 165.7 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | I301 | S222-I301 CarbonylContact C-O 3.5Å; S222-I301 VanDerWaalsContact CA-O 3.22Å; S222-I301 WeakPolarHBondContact CA-O 3.49Å; S222-I301 VanDerWaalsContact CB-O 3.22Å; S222-I301 WeakPolarHBondContact CB-O 3.24Å; S222-I301 PolarHBondContact OG-N 2.77Å | ||
| 223 | T | 92.8 | Very high | 95 | Very high | 39 Ų | 39 | 54 Ų | 54 | 24% | 0.239 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 131.6 | -174.2 | -56.9 | 0 | 0 | 0 | 0 | 110.5 | T225 V232 I301 L302 Y303 | T223-T225 WeakPolarHBondContact CG2-OG1 3.5Å; T223-V232 WeakPolarHBondContact CB-O 3.41Å; T223-V232 PolarHBondContact OG1-O 2.79Å; T223-I301 PolarHBondContact N-O 2.88Å; T223-L302 WeakPolarHBondContact O-CA 2.94Å; T223-Y303 VanDerWaalsContact C-CE1 3.5Å; T223-Y303 WeakPolarHBondContact O-CD1 3.4Å; T223-Y303 PolarHBondContact O-N 2.01Å; T223-Y303 VanDerWaalsContact O-N 3.13Å |
| 224 | G | 92.9 | Very high | 95 | Very high | 35 Ų | 35 | 54.3 Ų | 54.3 | 36% | 0.361 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 125.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y303 | G224-Y303 CarbonylContact C-O 3.54Å; G224-Y303 WeakPolarHBondContact CA-O 3.35Å |
| 225 | T | 94.3 | Very high | 95 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | trans | -142.6 | 127.7 | 179.9 | -57.7 | 0 | 0 | 0 | 0 | 110.3 | T223 Q229 V277 Y282 Y303 | T223-T225 WeakPolarHBondContact CG2-OG1 3.5Å; T225-Q229 HydrophobicContact CG2-CB 3.91Å; T225-V277 HydrophobicContact CG2-CB 4.37Å; T225-V277 HydrophobicContact CG2-CG2 3.81Å; T225-Y282 WeakPolarHBondContact O-CE1 3.29Å; T225-Y282 PolarHBondContact O-OH 2.67Å; T225-Y303 PolarHBondContact N-O 2.83Å | ||
| 226 | P | 94.3 | Very high | 95 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 29% | 0.286 | 29% | 0.289 | S | S | . | . | trans | -62.1 | 151 | 173.4 | -13.6 | 23.9 | 0 | 0 | 0 | 112.8 | Q229 P305 | P226-Q229 HydrophobicContact CB-CG 4.2Å; P226-Q229 HydrophobicContact CG-CG 4.3Å; P226-Q229 WeakPolarHBondContact O-CB 3.23Å; P226-Q229 PolarHBondContact O-N 3.27Å; P226-P305 HydrophobicContact CB-CG 3.71Å; P226-P305 HydrophobicContact CG-CG 3.52Å | ||
| 227 | V | 94.8 | Very high | 95.1 | Very high | 79 Ų | 79 | 47.4 Ų | 47.4 | 48% | 0.479 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 141.9 | 167.5 | 178.4 | 0 | 0 | 0 | 0 | 109.2 | Q229 V277 E279 Y282 | V227-Q229 VanDerWaalsContact C-N 3.3Å; V227-V277 CarbonylContact C-O 3.55Å; V227-V277 VanDerWaalsContact CA-O 3.27Å; V227-V277 WeakPolarHBondContact CA-O 3.47Å; V227-V277 WeakPolarHBondContact CG1-O 3.34Å; V227-E279 HydrophobicContact CG2-CG 3.95Å; V227-Y282 HydrophobicContact CG2-CE2 4.06Å; V227-Y282 WeakPolarHBondContact CG2-OH 3.14Å; V227-Y282 PolarHBondContact N-OH 3.49Å |
| 228 | G | 94.1 | Very high | 95 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 50% | 0.495 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -15.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N276 V277 | G228-N276 WeakPolarHBondContact CA-OD1 3.47Å; G228-N276 PolarHBondContact N-OD1 2.81Å; G228-N276 PolarHBondContact O-OD1 3.35Å; G228-V277 PolarHBondContact N-O 2.87Å |
| 229 | Q | 95.7 | Very high | 95.1 | Very high | 114 Ų | 114 | 45.1 Ų | 45.1 | 53% | 0.533 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -106.7 | 165.9 | -171.7 | -62.5 | -159 | -2.7 | 0 | 0 | 113.6 | T225 P226 V227 G231 V277 | T225-Q229 HydrophobicContact CG2-CB 3.91Å; P226-Q229 HydrophobicContact CB-CG 4.2Å; P226-Q229 HydrophobicContact CG-CG 4.3Å; P226-Q229 WeakPolarHBondContact O-CB 3.23Å; P226-Q229 PolarHBondContact O-N 3.27Å; V227-Q229 VanDerWaalsContact C-N 3.3Å; Q229-G231 PolarHBondContact O-N 2.73Å; Q229-V277 WeakPolarHBondContact O-CG2 3.45Å; Q229-V277 PolarHBondContact O-N 2.76Å |
| 230 | R | 95.6 | Very high | 95.1 | Very high | 151 Ų | 151 | 44.3 Ų | 44.3 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | trans | -77.5 | 117.9 | 175.9 | -175.7 | 179 | -178.6 | -107.3 | 0.8 | 110.5 | I273 F274 | R230-I273 HydrophobicContact CG-CG2 4.46Å; R230-F274 VanDerWaalsContact CA-O 3.31Å; R230-F274 WeakPolarHBondContact CA-O 3.31Å; R230-F274 WeakPolarHBondContact CG-O 3.41Å | ||
| 231 | G | 94.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 148.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q229 F274 | Q229-G231 PolarHBondContact O-N 2.73Å; G231-F274 PolarHBondContact N-O 2.87Å; G231-F274 PolarHBondContact O-N 2.88Å |
| 232 | V | 96.1 | Very high | 95.3 | Very high | 40 Ų | 40 | 45 Ų | 45 | 24% | 0.242 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 121.9 | 176.6 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | T223 L271 L272 I273 | T223-V232 WeakPolarHBondContact CB-O 3.41Å; T223-V232 PolarHBondContact OG1-O 2.79Å; V232-L271 HydrophobicContact CG1-CB 4.32Å; V232-L271 HydrophobicContact CG1-CD2 4.22Å; V232-L272 WeakPolarHBondContact CA-O 3.4Å; V232-I273 HydrophobicContact CG1-CG1 4.28Å; V232-I273 HydrophobicContact CG2-CG1 4.32Å; V232-I273 HydrophobicContact CG2-CG2 4.47Å |
| 233 | L | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 143.9 | 165.5 | -59 | -175.6 | 0 | 0 | 0 | 109.5 | W247 L271 L272 F274 Y285 I300 L302 | L233-W247 HydrophobicContact CB-CH2 3.88Å; L233-W247 HydrophobicContact CB-CZ3 3.97Å; L233-W247 HydrophobicContact CD1-CZ3 4.36Å; L233-L271 WeakPolarHBondContact O-CA 3.45Å; L233-L272 HydrophobicContact CB-CB 4.32Å; L233-L272 HydrophobicContact CD1-CD2 4.36Å; L233-L272 PolarHBondContact N-O 2.79Å; L233-L272 PolarHBondContact O-N 3.48Å; L233-F274 HydrophobicContact CD1-CE2 4.26Å; L233-F274 HydrophobicContact CG-CE2 4.13Å; L233-Y285 HydrophobicContact CD1-CD1 4.36Å; L233-Y285 HydrophobicContact CD1-CD2 3.51Å; L233-Y285 HydrophobicContact CD1-CE2 4.25Å; L233-Y285 HydrophobicContact CD1-CG 3.59Å; L233-I300 HydrophobicContact CB-CG2 4.13Å; L233-I300 HydrophobicContact CD1-CG2 3.97Å; L233-I300 HydrophobicContact CD2-CG2 3.73Å; L233-I300 HydrophobicContact CG-CG2 4.15Å; L233-L302 HydrophobicContact CD1-CB 4.38Å; L233-L302 HydrophobicContact CD2-CB 4.27Å; L233-L302 HydrophobicContact CD2-CD1 4.1Å |
| 234 | Q | 96.6 | Very high | 95.8 | Very high | 29 Ų | 29 | 46.6 Ų | 46.6 | 14% | 0.136 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130.8 | -173.8 | 173.5 | -178.5 | 7 | 0 | 0 | 110.8 | R221 E236 Q269 L271 | R221-Q234 HydrophobicContact CB-CB 4.33Å; R221-Q234 PolarHBondContact N-O 2.88Å; Q234-E236 PolarHBondContact NE2-OE1 3.47Å; Q234-Q269 HydrophobicContact CG-CG 4.23Å; Q234-L271 HydrophobicContact CB-CD2 3.72Å; Q234-L271 HydrophobicContact CG-CD2 3.74Å |
| 235 | C | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132.8 | 174.8 | -171 | 0 | 0 | 0 | 0 | 110.1 | K219 F245 W247 Q269 S270 C287 I300 | K219-C235 CarbonylContact O-C 3.59Å; K219-C235 WeakPolarHBondContact O-CA 3.34Å; C235-F245 HydrophobicContact CB-CE1 4.44Å; C235-W247 HydrophobicContact CB-CH2 3.77Å; C235-W247 HydrophobicContact CB-CZ2 3.69Å; C235-Q269 CarbonylContact O-C 3.4Å; C235-Q269 WeakPolarHBondContact O-CA 3.29Å; C235-S270 PolarHBondContact N-O 2.83Å; C235-S270 PolarHBondContact O-N 2.88Å; C235-C287 HydrophobicContact CB-CB 3.43Å; C235-C287 VanDerWaalsContact CB-CB 3.43Å; C235-C287 WeakPolarHBondContact CB-SG 3.44Å; C235-C287 WeakPolarHBondContact SG-CB 3.44Å; C235-C287 CovalentContact SG-SG 2.05Å; C235-C287 PolarHBondContact SG-SG 3.29Å; C235-I300 HydrophobicContact CB-CD1 4Å |
| 236 | E | 97.8 | Very high | 96.2 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 135.8 | 175.9 | -58.7 | 174 | -168.9 | 0 | 0 | 110.4 | I217 S218 K219 Q234 K268 Q269 | I217-E236 CarbonylContact C-O 3.53Å; I217-E236 VanDerWaalsContact CA-O 3.32Å; I217-E236 WeakPolarHBondContact CA-O 3.3Å; S218-E236 PolarHBondContact N-O 3.16Å; S218-E236 PolarHBondContact OG-O 3.12Å; K219-E236 HydrophobicContact CB-CB 3.96Å; K219-E236 HydrophobicContact CB-CG 4.24Å; K219-E236 HydrophobicContact CD-CG 4.32Å; K219-E236 WeakPolarHBondContact CD-OE2 3.36Å; K219-E236 PolarHBondContact N-O 2.73Å; K219-E236 IonicContact NZ-OE1 2.98Å; K219-E236 PolarHBondContact NZ-OE1 3.1Å; K219-E236 VanDerWaalsContact NZ-OE1 3.15Å; K219-E236 PolarHBondContact O-N 3.47Å; Q234-E236 PolarHBondContact NE2-OE1 3.47Å; E236-K268 CarbonylContact C-O 3.48Å; E236-K268 WeakPolarHBondContact CA-O 3.39Å; E236-Q269 HydrophobicContact CG-CB 3.85Å; E236-Q269 HydrophobicContact CG-CG 3.77Å; E236-Q269 PolarHBondContact OE1-NE2 3.47Å |
| 237 | A | 97.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.025 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F216 I217 F245 K268 A289 | F216-A237 CarbonylContact O-C 3.53Å; F216-A237 VanDerWaalsContact O-CA 3.26Å; F216-A237 WeakPolarHBondContact O-CA 3.44Å; I217-A237 HydrophobicContact CG1-CB 4.28Å; A237-F245 HydrophobicContact CB-CE1 3.94Å; A237-F245 HydrophobicContact CB-CZ 3.57Å; A237-K268 PolarHBondContact N-O 2.99Å; A237-K268 WeakPolarHBondContact O-CB 3.22Å; A237-A289 HydrophobicContact CB-CB 3.65Å |
| 238 | S | 95.8 | Very high | 96.5 | Very high | 30 Ų | 30 | 44.2 Ų | 44.2 | 21% | 0.21 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 124.5 | 168.9 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | Y213 P215 F216 | Y213-S238 PolarHBondContact OH-OG 3.19Å; P215-S238 WeakPolarHBondContact CA-O 3.34Å; F216-S238 PolarHBondContact N-O 2.76Å; F216-S238 PolarHBondContact O-N 2.9Å |
| 239 | A | 96.3 | Very high | 96.6 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 149 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y213 P215 P241 A243 | Y213-A239 VanDerWaalsContact CE2-CA 3.46Å; P215-A239 HydrophobicContact CB-CB 3.84Å; A239-P241 CarbonylContact C-O 3.55Å; A239-P241 VanDerWaalsContact C-O 3.25Å; A239-P241 WeakPolarHBondContact CB-O 3.27Å; A239-A243 HydrophobicContact CB-CB 3.81Å |
| 240 | V | 96.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 23% | 0.23 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 121.1 | 166.7 | 178.2 | 0 | 0 | 0 | 0 | 108.4 | T210 V211 N212 Y213 N291 | T210-V240 HydrophobicContact CG2-CG1 3.76Å; V211-V240 WeakPolarHBondContact O-CB 3.29Å; V211-V240 WeakPolarHBondContact O-CG1 3.22Å; N212-V240 CarbonylContact C-O 3.55Å; N212-V240 WeakPolarHBondContact CA-O 3.44Å; N212-V240 WeakPolarHBondContact CB-O 3.34Å; Y213-V240 HydrophobicContact CD1-CB 3.96Å; Y213-V240 HydrophobicContact CD1-CG2 4.19Å; Y213-V240 HydrophobicContact CE1-CB 3.68Å; Y213-V240 HydrophobicContact CE1-CG2 3.39Å; Y213-V240 PolarHBondContact N-O 3.31Å; Y213-V240 PolarHBondContact O-N 3.29Å; V240-N291 PolarHBondContact O-ND2 2.82Å |
| 241 | P | 96.8 | Very high | 95.9 | Very high | 53 Ų | 53 | 46.2 Ų | 46.2 | 34% | 0.344 | 23% | 0.232 | S | C | . | . | S | Bend | cis | -56.7 | 163.1 | -8.3 | -23 | 35.1 | 0 | 0 | 0 | 112.6 | A239 A243 N291 | A239-P241 CarbonylContact C-O 3.55Å; A239-P241 VanDerWaalsContact C-O 3.25Å; A239-P241 WeakPolarHBondContact CB-O 3.27Å; P241-A243 PolarHBondContact O-N 2.83Å; P241-N291 WeakPolarHBondContact O-CB 2.96Å; P241-N291 PolarHBondContact O-ND2 3.34Å |
| 242 | R | 95.3 | Very high | 95.8 | Very high | 140 Ų | 140 | 55.5 Ų | 55.5 | 53% | 0.528 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 139.2 | -178.6 | -177.5 | 172.4 | 171.4 | -152.1 | -21.5 | 110.5 | G267 | R242-G267 VanDerWaalsContact CZ-C 3.43Å; R242-G267 VanDerWaalsContact CZ-N 3.34Å; R242-G267 PolarHBondContact NE-O 3.23Å; R242-G267 VanDerWaalsContact NH2-C 3.32Å; R242-G267 PolarHBondContact NH2-O 3.34Å |
| 243 | A | 97.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 142.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P215 A239 P241 A289 M290 | P215-A243 HydrophobicContact CB-CB 4.04Å; A239-A243 HydrophobicContact CB-CB 3.81Å; P241-A243 PolarHBondContact O-N 2.83Å; A243-A289 HydrophobicContact CB-CB 4.13Å; A243-M290 CarbonylContact C-O 3.49Å; A243-M290 WeakPolarHBondContact CA-O 3.31Å |
| 244 | D | 97 | Very high | 95.8 | Very high | 116 Ų | 116 | 61.5 Ų | 61.5 | 62% | 0.62 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 151.9 | 162.1 | -67.1 | -41 | 0 | 0 | 0 | 109.8 | A289 M290 | D244-A289 CarbonylContact O-C 3.49Å; D244-A289 WeakPolarHBondContact O-CA 3.42Å; D244-M290 HydrophobicContact CB-CG 4.22Å; D244-M290 PolarHBondContact N-O 2.83Å; D244-M290 PolarHBondContact O-N 2.63Å |
| 245 | F | 97.6 | Very high | 95.7 | Very high | 23 Ų | 23 | 64.5 Ų | 64.5 | 10% | 0.101 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140 | -175.9 | -73.6 | -96.5 | 0 | 0 | 0 | 112 | C235 A237 T265 K268 S270 V288 A289 | C235-F245 HydrophobicContact CB-CE1 4.44Å; A237-F245 HydrophobicContact CB-CE1 3.94Å; A237-F245 HydrophobicContact CB-CZ 3.57Å; F245-T265 HydrophobicContact CD2-CG2 3.78Å; F245-T265 HydrophobicContact CE2-CG2 4.46Å; F245-K268 WeakPolarHBondContact CZ-O 3.19Å; F245-S270 VanDerWaalsContact CG-CB 3.43Å; F245-V288 CarbonylContact C-O 3.55Å; F245-V288 VanDerWaalsContact CA-O 3.31Å; F245-V288 WeakPolarHBondContact CA-O 3.45Å; F245-A289 HydrophobicContact CD1-CB 4.12Å; F245-A289 HydrophobicContact CE1-CB 3.88Å; F245-A289 HydrophobicContact CZ-CB 4.32Å |
| 246 | E | 97.3 | Very high | 95.6 | Very high | 34 Ų | 34 | 69.2 Ų | 69.2 | 16% | 0.159 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 149.9 | 168.8 | -61.5 | -172.3 | 162.1 | 0 | 0 | 109.9 | Y248 R253 C287 V288 M290 | E246-Y248 HydrophobicContact CB-CD2 4.4Å; E246-Y248 HydrophobicContact CB-CE2 3.66Å; E246-Y248 PolarHBondContact OE2-OH 3.05Å; E246-R253 VanDerWaalsContact CD-CZ 3.48Å; E246-R253 IonicContact OE1-CZ 2.99Å; E246-R253 IonicContact OE1-NE 3.91Å; E246-R253 IonicContact OE1-NH1 2.7Å; E246-R253 PolarHBondContact OE1-NH1 3.44Å; E246-R253 IonicContact OE1-NH2 3.16Å; E246-R253 PolarHBondContact OE1-NH2 3.38Å; E246-R253 IonicContact OE2-CZ 3.99Å; E246-R253 IonicContact OE2-NH1 3.78Å; E246-C287 WeakPolarHBondContact O-CA 3.3Å; E246-V288 HydrophobicContact CB-CB 4.38Å; E246-V288 PolarHBondContact N-O 2.84Å; E246-V288 PolarHBondContact O-N 2.9Å; E246-M290 HydrophobicContact CG-CE 4.06Å |
| 247 | W | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 0% | 0.004 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.6 | 177.4 | -73.2 | 89.2 | 0 | 0 | 0 | 109.7 | L233 C235 L254 I263 S270 L272 T286 C287 I300 | L233-W247 HydrophobicContact CB-CH2 3.88Å; L233-W247 HydrophobicContact CB-CZ3 3.97Å; L233-W247 HydrophobicContact CD1-CZ3 4.36Å; C235-W247 HydrophobicContact CB-CH2 3.77Å; C235-W247 HydrophobicContact CB-CZ2 3.69Å; W247-L254 HydrophobicContact CB-CB 4.27Å; W247-L254 HydrophobicContact CB-CD1 4.17Å; W247-L254 WeakPolarHBondContact O-CB 3.41Å; W247-L254 PolarHBondContact O-N 2.85Å; W247-I263 HydrophobicContact CB-CD1 4.31Å; W247-S270 PolarHBondContact NE1-OG 3.34Å; W247-L272 HydrophobicContact CB-CD2 4.43Å; W247-L272 HydrophobicContact CD2-CB 3.7Å; W247-L272 HydrophobicContact CD2-CD2 4.13Å; W247-L272 HydrophobicContact CD2-CG 4.45Å; W247-L272 HydrophobicContact CE3-CB 3.93Å; W247-L272 HydrophobicContact CE3-CD2 3.83Å; W247-L272 HydrophobicContact CG-CB 4.15Å; W247-L272 HydrophobicContact CG-CD2 4.4Å; W247-L272 HydrophobicContact CH2-CB 4.23Å; W247-L272 HydrophobicContact CZ2-CB 4.03Å; W247-L272 HydrophobicContact CZ3-CB 4.18Å; W247-L272 HydrophobicContact CZ3-CD2 4.41Å; W247-T286 WeakPolarHBondContact CA-O 3.43Å; W247-C287 HydrophobicContact CD2-CB 4.17Å; W247-C287 HydrophobicContact CE3-CB 3.99Å; W247-C287 HydrophobicContact CH2-CB 3.93Å; W247-C287 HydrophobicContact CZ2-CB 4.08Å; W247-C287 HydrophobicContact CZ3-CB 3.88Å; W247-I300 HydrophobicContact CH2-CD1 3.61Å; W247-I300 HydrophobicContact CZ3-CD1 3.74Å |
| 248 | Y | 97.6 | Very high | 94.8 | Very high | 56 Ų | 56 | 74.1 Ų | 74.1 | 22% | 0.22 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 148.3 | 178.2 | -67.6 | -103.6 | 0 | 0 | 0 | 109.2 | E246 R252 R253 Y285 T286 V288 | E246-Y248 HydrophobicContact CB-CD2 4.4Å; E246-Y248 HydrophobicContact CB-CE2 3.66Å; E246-Y248 PolarHBondContact OE2-OH 3.05Å; Y248-R252 VanDerWaalsContact CA-O 3.29Å; Y248-R252 WeakPolarHBondContact CA-O 3.42Å; Y248-R253 HydrophobicContact CD1-CB 4.05Å; Y248-R253 HydrophobicContact CE1-CB 3.56Å; Y248-R253 HydrophobicContact CE1-CG 4.25Å; Y248-Y285 CarbonylContact O-C 3.5Å; Y248-Y285 VanDerWaalsContact O-CA 3.23Å; Y248-Y285 WeakPolarHBondContact O-CA 3.37Å; Y248-T286 PolarHBondContact N-O 3.3Å; Y248-T286 PolarHBondContact O-N 3.07Å; Y248-V288 HydrophobicContact CD2-CG2 3.72Å; Y248-V288 HydrophobicContact CE2-CB 4.34Å; Y248-V288 HydrophobicContact CE2-CG2 3.78Å |
| 249 | K | 95.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 79.8 Ų | 79.8 | 20% | 0.2 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 119.7 | 162.1 | -171.9 | -176.1 | -174.5 | 176.3 | 0 | 106.1 | D251 R252 L254 E280 Y285 | K249-D251 PolarHBondContact O-N 3.34Å; K249-R252 PolarHBondContact N-O 2.99Å; K249-R252 PolarHBondContact O-N 3.18Å; K249-L254 HydrophobicContact CB-CD1 4.33Å; K249-L254 HydrophobicContact CB-CD2 4.07Å; K249-L254 HydrophobicContact CB-CG 4.45Å; K249-E280 PolarHBondContact NZ-O 3.41Å; K249-Y285 HydrophobicContact CB-CD1 3.92Å; K249-Y285 HydrophobicContact CB-CE1 3.75Å; K249-Y285 HydrophobicContact CD-CE1 3.76Å; K249-Y285 WeakPolarHBondContact CE-OH 3.36Å; K249-Y285 HydrophobicContact CG-CD1 4.16Å; K249-Y285 HydrophobicContact CG-CE1 3.77Å; K249-Y285 PolarHBondContact NZ-OH 2.67Å |
| 250 | E | 87.1 | Confident | 94 | Very high | 149 Ų | 149 | 81.4 Ų | 81.4 | 70% | 0.696 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | -122.6 | -165 | -53.4 | 168.5 | 173.1 | 0 | 0 | 109.4 | ||
| 251 | D | 89.3 | Confident | 93.9 | Very high | 161 Ų | 161 | 80.2 Ų | 80.2 | 86% | 0.861 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 6.1 | 179.2 | -60.5 | -45.4 | 0 | 0 | 0 | 113.6 | K249 | K249-D251 PolarHBondContact O-N 3.34Š|
| 252 | R | 94.3 | Very high | 93.9 | Very high | 194 Ų | 194 | 81.5 Ų | 81.5 | 73% | 0.732 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 122.5 | -176.7 | -64.2 | -174.5 | -174.4 | -172.8 | 3.4 | 111.5 | Y248 K249 L254 | Y248-R252 VanDerWaalsContact CA-O 3.29Å; Y248-R252 WeakPolarHBondContact CA-O 3.42Å; K249-R252 PolarHBondContact N-O 2.99Å; K249-R252 PolarHBondContact O-N 3.18Å; R252-L254 PolarHBondContact O-N 3.14Å |
| 253 | R | 96.2 | Very high | 94 | Very high | 138 Ų | 138 | 76.2 Ų | 76.2 | 52% | 0.521 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 127.4 | 172.2 | -176.8 | 179 | 171.7 | 152.7 | 9.1 | 110.4 | E246 Y248 L255 | E246-R253 VanDerWaalsContact CD-CZ 3.48Å; E246-R253 IonicContact OE1-CZ 2.99Å; E246-R253 IonicContact OE1-NE 3.91Å; E246-R253 IonicContact OE1-NH1 2.7Å; E246-R253 PolarHBondContact OE1-NH1 3.44Å; E246-R253 IonicContact OE1-NH2 3.16Å; E246-R253 PolarHBondContact OE1-NH2 3.38Å; E246-R253 IonicContact OE2-CZ 3.99Å; E246-R253 IonicContact OE2-NH1 3.78Å; Y248-R253 HydrophobicContact CD1-CB 4.05Å; Y248-R253 HydrophobicContact CE1-CB 3.56Å; Y248-R253 HydrophobicContact CE1-CG 4.25Å; R253-L255 HydrophobicContact CG-CD2 4.49Å |
| 254 | L | 96.3 | Very high | 93.9 | Very high | 28 Ų | 28 | 79.5 Ų | 79.5 | 15% | 0.147 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 142.3 | 173.3 | -56 | 178.9 | 0 | 0 | 0 | 110.1 | W247 K249 R252 L261 I263 L272 Y285 | W247-L254 HydrophobicContact CB-CB 4.27Å; W247-L254 HydrophobicContact CB-CD1 4.17Å; W247-L254 WeakPolarHBondContact O-CB 3.41Å; W247-L254 PolarHBondContact O-N 2.85Å; K249-L254 HydrophobicContact CB-CD1 4.33Å; K249-L254 HydrophobicContact CB-CD2 4.07Å; K249-L254 HydrophobicContact CB-CG 4.45Å; R252-L254 PolarHBondContact O-N 3.14Å; L254-L261 HydrophobicContact CD1-CD1 4.29Å; L254-L261 HydrophobicContact CD2-CD1 4.23Å; L254-I263 HydrophobicContact CB-CD1 4.42Å; L254-L272 HydrophobicContact CD1-CD1 4.2Å; L254-L272 HydrophobicContact CD1-CD2 3.64Å; L254-Y285 HydrophobicContact CD1-CD1 3.76Å; L254-Y285 HydrophobicContact CD1-CE1 3.78Å |
| 255 | L | 94.1 | Very high | 93.8 | Very high | 92 Ų | 92 | 77 Ų | 77 | 48% | 0.482 | 39% | 0.394 | S | S | . | . | trans | -115.4 | 143.4 | -178.4 | -61.8 | 178.9 | 0 | 0 | 0 | 110 | R253 G257 I258 | R253-L255 HydrophobicContact CG-CD2 4.49Å; L255-G257 PolarHBondContact O-N 2.67Å; L255-I258 HydrophobicContact CB-CB 4.46Å; L255-I258 HydrophobicContact CB-CD1 3.63Å; L255-I258 HydrophobicContact CB-CG1 4.02Å; L255-I258 HydrophobicContact CD1-CD1 3.74Å; L255-I258 HydrophobicContact CG-CD1 4.31Å | ||
| 256 | N | 94.3 | Very high | 93.6 | Very high | 99 Ų | 99 | 83.7 Ų | 83.7 | 53% | 0.529 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 132.1 | -179.3 | -173.8 | 27 | 0 | 0 | 0 | 111.3 | I258 K262 I263 | N256-I258 VanDerWaalsContact C-N 3.34Å; N256-K262 WeakPolarHBondContact OD1-CA 3.28Å; N256-I263 HydrophobicContact CB-CB 4.22Å; N256-I263 PolarHBondContact OD1-N 2.75Å; N256-I263 PolarHBondContact OD1-O 2.9Å |
| 257 | G | 90.1 | Very high | 93.2 | Very high | 64 Ų | 64 | 83.5 Ų | 83.5 | 66% | 0.66 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 7.1 | 176 | 0 | 0 | 0 | 0 | 0 | 115.1 | L255 L261 | L255-G257 PolarHBondContact O-N 2.67Å; G257-L261 VanDerWaalsContact CA-O 3.22Å; G257-L261 WeakPolarHBondContact CA-O 3.43Å; G257-L261 PolarHBondContact N-O 2.83Å |
| 258 | I | 88.9 | Confident | 93.1 | Very high | 82 Ų | 82 | 89.4 Ų | 89.4 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -106.3 | 144.7 | -179.7 | -54.7 | -166.5 | 0 | 0 | 0 | 109.7 | L255 N256 G260 L261 | L255-I258 HydrophobicContact CB-CB 4.46Å; L255-I258 HydrophobicContact CB-CD1 3.63Å; L255-I258 HydrophobicContact CB-CG1 4.02Å; L255-I258 HydrophobicContact CD1-CD1 3.74Å; L255-I258 HydrophobicContact CG-CD1 4.31Å; N256-I258 VanDerWaalsContact C-N 3.34Å; I258-G260 VanDerWaalsContact C-N 3.28Å; I258-G260 PolarHBondContact O-N 2.96Å; I258-L261 WeakPolarHBondContact O-CB 3.47Å; I258-L261 PolarHBondContact O-N 2.79Å |
| 259 | N | 86.5 | Confident | 93.1 | Very high | 148 Ų | 148 | 89.3 Ų | 89.3 | 79% | 0.791 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 36.1 | 176 | -60.6 | -15.1 | 0 | 0 | 0 | 114.7 | L261 | N259-L261 PolarHBondContact O-N 2.88Š|
| 260 | G | 87.8 | Confident | 93.2 | Very high | 44 Ų | 44 | 87.1 Ų | 87.1 | 45% | 0.454 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 15.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I258 F275 | I258-G260 VanDerWaalsContact C-N 3.28Å; I258-G260 PolarHBondContact O-N 2.96Å; G260-F275 WeakPolarHBondContact O-CD2 3.27Å; G260-F275 PolarHBondContact O-N 2.98Å; G260-F275 VanDerWaalsContact O-N 3.16Å |
| 261 | L | 94 | Very high | 93.7 | Very high | 13 Ų | 13 | 81.7 Ų | 81.7 | 7% | 0.068 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 147.1 | 175.9 | -57.3 | 172.9 | 0 | 0 | 0 | 111.7 | L254 G257 I258 N259 L272 I273 F274 | L254-L261 HydrophobicContact CD1-CD1 4.29Å; L254-L261 HydrophobicContact CD2-CD1 4.23Å; G257-L261 VanDerWaalsContact CA-O 3.22Å; G257-L261 WeakPolarHBondContact CA-O 3.43Å; G257-L261 PolarHBondContact N-O 2.83Å; I258-L261 WeakPolarHBondContact O-CB 3.47Å; I258-L261 PolarHBondContact O-N 2.79Å; N259-L261 PolarHBondContact O-N 2.88Å; L261-L272 HydrophobicContact CB-CD1 4.36Å; L261-L272 HydrophobicContact CD1-CD1 4.5Å; L261-L272 HydrophobicContact CD2-CD1 4.42Å; L261-I273 CarbonylContact C-O 2.98Å; L261-I273 WeakPolarHBondContact CA-O 3.36Å; L261-F274 HydrophobicContact CD2-CB 4.44Å; L261-F274 HydrophobicContact CD2-CD1 3.18Å; L261-F274 HydrophobicContact CD2-CD2 4.38Å; L261-F274 HydrophobicContact CD2-CE1 3.27Å; L261-F274 HydrophobicContact CD2-CE2 4.43Å; L261-F274 HydrophobicContact CD2-CG 3.76Å; L261-F274 HydrophobicContact CD2-CZ 3.92Å |
| 262 | K | 96.8 | Very high | 94.1 | Very high | 80 Ų | 80 | 74 Ų | 74 | 35% | 0.348 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.9 | 168.9 | -170 | -177 | -173.4 | -169.7 | 0 | 109.7 | N256 E264 I273 F275 | N256-K262 WeakPolarHBondContact OD1-CA 3.28Å; K262-E264 HydrophobicContact CD-CG 4.1Å; K262-E264 WeakPolarHBondContact CD-OE1 3.41Å; K262-E264 WeakPolarHBondContact CE-OE1 3.28Å; K262-E264 HydrophobicContact CG-CG 4.17Å; K262-E264 IonicContact NZ-OE1 3.93Å; K262-E264 PolarHBondContact NZ-OE1 3.44Å; K262-I273 HydrophobicContact CB-CB 4.25Å; K262-I273 PolarHBondContact N-O 2.88Å; K262-I273 WeakPolarHBondContact O-CB 3.39Å; K262-I273 PolarHBondContact O-N 2.83Å; K262-F275 HydrophobicContact CB-CE2 4.01Å; K262-F275 HydrophobicContact CB-CZ 4.03Å; K262-F275 HydrophobicContact CD-CZ 4.08Å |
| 263 | I | 97.4 | Very high | 94.2 | Very high | 28 Ų | 28 | 64.8 Ų | 64.8 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.5 | 174.5 | -59.6 | 173.2 | 0 | 0 | 0 | 107.9 | W247 L254 N256 L271 L272 | W247-I263 HydrophobicContact CB-CD1 4.31Å; L254-I263 HydrophobicContact CB-CD1 4.42Å; N256-I263 HydrophobicContact CB-CB 4.22Å; N256-I263 PolarHBondContact OD1-N 2.75Å; N256-I263 PolarHBondContact OD1-O 2.9Å; I263-L271 WeakPolarHBondContact CA-O 3.5Å; I263-L272 HydrophobicContact CD1-CD1 4.41Å; I263-L272 HydrophobicContact CG1-CD1 3.77Å |
| 264 | E | 96.4 | Very high | 94.2 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 34% | 0.341 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 122.4 | 177.6 | -67.7 | -177.2 | 173.5 | 0 | 0 | 109.8 | K262 S270 L271 I273 | K262-E264 HydrophobicContact CD-CG 4.1Å; K262-E264 WeakPolarHBondContact CD-OE1 3.41Å; K262-E264 WeakPolarHBondContact CE-OE1 3.28Å; K262-E264 HydrophobicContact CG-CG 4.17Å; K262-E264 IonicContact NZ-OE1 3.93Å; K262-E264 PolarHBondContact NZ-OE1 3.44Å; E264-S270 CarbonylContact O-C 3.57Å; E264-S270 WeakPolarHBondContact O-CA 3.47Å; E264-L271 HydrophobicContact CB-CB 4.49Å; E264-L271 PolarHBondContact N-O 3.48Å; E264-L271 PolarHBondContact O-N 3.11Å; E264-I273 HydrophobicContact CB-CD1 4.38Å; E264-I273 HydrophobicContact CG-CD1 3.91Å; E264-I273 WeakPolarHBondContact OE2-CD1 3.25Å |
| 265 | T | 95.2 | Very high | 94.2 | Very high | 65 Ų | 65 | 62.8 Ų | 62.8 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117.5 | 179.8 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | F245 Q269 S270 | F245-T265 HydrophobicContact CD2-CG2 3.78Å; F245-T265 HydrophobicContact CE2-CG2 4.46Å; T265-Q269 CarbonylContact C-O 3.59Å; T265-Q269 WeakPolarHBondContact CA-O 3.09Å; T265-S270 PolarHBondContact OG1-OG 3.39Å |
| 266 | Q | 92.1 | Very high | 94.2 | Very high | 162 Ų | 162 | 63.3 Ų | 63.3 | 76% | 0.757 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 129.7 | -178.9 | -168.3 | -175.2 | 25.1 | 0 | 0 | 111 | K268 Q269 | Q266-K268 PolarHBondContact O-N 2.83Å; Q266-Q269 PolarHBondContact N-O 2.93Å; Q266-Q269 WeakPolarHBondContact O-CB 3.36Å; Q266-Q269 PolarHBondContact O-N 2.78Å; Q266-Q269 VanDerWaalsContact O-O 3.05Å |
| 267 | G | 90.7 | Very high | 94.3 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 32% | 0.32 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | -130.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113 | R242 Q269 | R242-G267 VanDerWaalsContact CZ-C 3.43Å; R242-G267 VanDerWaalsContact CZ-N 3.34Å; R242-G267 PolarHBondContact NE-O 3.23Å; R242-G267 VanDerWaalsContact NH2-C 3.32Å; R242-G267 PolarHBondContact NH2-O 3.34Å; G267-Q269 PolarHBondContact O-N 2.92Å |
| 268 | K | 94.8 | Very high | 94.5 | Very high | 125 Ų | 125 | 57.7 Ų | 57.7 | 54% | 0.543 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 4.7 | -179.4 | -64.1 | -178.3 | -177.6 | -176.9 | 0 | 113.6 | E236 A237 F245 Q266 | E236-K268 CarbonylContact C-O 3.48Å; E236-K268 WeakPolarHBondContact CA-O 3.39Å; A237-K268 PolarHBondContact N-O 2.99Å; A237-K268 WeakPolarHBondContact O-CB 3.22Å; F245-K268 WeakPolarHBondContact CZ-O 3.19Å; Q266-K268 PolarHBondContact O-N 2.83Å |
| 269 | Q | 96.6 | Very high | 94.6 | Very high | 54 Ų | 54 | 61.2 Ų | 61.2 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 141.5 | -169.6 | -174.1 | 179.1 | 92.5 | 0 | 0 | 111.8 | Q234 C235 E236 T265 Q266 G267 L271 | Q234-Q269 HydrophobicContact CG-CG 4.23Å; C235-Q269 CarbonylContact O-C 3.4Å; C235-Q269 WeakPolarHBondContact O-CA 3.29Å; E236-Q269 HydrophobicContact CG-CB 3.85Å; E236-Q269 HydrophobicContact CG-CG 3.77Å; E236-Q269 PolarHBondContact OE1-NE2 3.47Å; T265-Q269 CarbonylContact C-O 3.59Å; T265-Q269 WeakPolarHBondContact CA-O 3.09Å; Q266-Q269 PolarHBondContact N-O 2.93Å; Q266-Q269 WeakPolarHBondContact O-CB 3.36Å; Q266-Q269 PolarHBondContact O-N 2.78Å; Q266-Q269 VanDerWaalsContact O-O 3.05Å; G267-Q269 PolarHBondContact O-N 2.92Å; Q269-L271 HydrophobicContact CG-CD2 4.02Å; Q269-L271 HydrophobicContact CG-CG 4.41Å |
| 270 | S | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138.3 | 165.7 | -169.8 | 0 | 0 | 0 | 0 | 110.2 | C235 F245 W247 E264 T265 | C235-S270 PolarHBondContact N-O 2.83Å; C235-S270 PolarHBondContact O-N 2.88Å; F245-S270 VanDerWaalsContact CG-CB 3.43Å; W247-S270 PolarHBondContact NE1-OG 3.34Å; E264-S270 CarbonylContact O-C 3.57Å; E264-S270 WeakPolarHBondContact O-CA 3.47Å; T265-S270 PolarHBondContact OG1-OG 3.39Å |
| 271 | L | 97.6 | Very high | 95.2 | Very high | 34 Ų | 34 | 61.5 Ų | 61.5 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130 | 179.3 | -56.8 | 179.2 | 0 | 0 | 0 | 109.2 | V232 L233 Q234 I263 E264 Q269 I273 | V232-L271 HydrophobicContact CG1-CB 4.32Å; V232-L271 HydrophobicContact CG1-CD2 4.22Å; L233-L271 WeakPolarHBondContact O-CA 3.45Å; Q234-L271 HydrophobicContact CB-CD2 3.72Å; Q234-L271 HydrophobicContact CG-CD2 3.74Å; I263-L271 WeakPolarHBondContact CA-O 3.5Å; E264-L271 HydrophobicContact CB-CB 4.49Å; E264-L271 PolarHBondContact N-O 3.48Å; E264-L271 PolarHBondContact O-N 3.11Å; Q269-L271 HydrophobicContact CG-CD2 4.02Å; Q269-L271 HydrophobicContact CG-CG 4.41Å; L271-I273 HydrophobicContact CB-CD1 4.41Å; L271-I273 HydrophobicContact CB-CG1 4.2Å |
| 272 | L | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 114.1 | 166.1 | 176.2 | 66.6 | 0 | 0 | 0 | 108.2 | V232 L233 W247 L254 L261 I263 F274 Y285 | V232-L272 WeakPolarHBondContact CA-O 3.4Å; L233-L272 HydrophobicContact CB-CB 4.32Å; L233-L272 HydrophobicContact CD1-CD2 4.36Å; L233-L272 PolarHBondContact N-O 2.79Å; L233-L272 PolarHBondContact O-N 3.48Å; W247-L272 HydrophobicContact CB-CD2 4.43Å; W247-L272 HydrophobicContact CD2-CB 3.7Å; W247-L272 HydrophobicContact CD2-CD2 4.13Å; W247-L272 HydrophobicContact CD2-CG 4.45Å; W247-L272 HydrophobicContact CE3-CB 3.93Å; W247-L272 HydrophobicContact CE3-CD2 3.83Å; W247-L272 HydrophobicContact CG-CB 4.15Å; W247-L272 HydrophobicContact CG-CD2 4.4Å; W247-L272 HydrophobicContact CH2-CB 4.23Å; W247-L272 HydrophobicContact CZ2-CB 4.03Å; W247-L272 HydrophobicContact CZ3-CB 4.18Å; W247-L272 HydrophobicContact CZ3-CD2 4.41Å; L254-L272 HydrophobicContact CD1-CD1 4.2Å; L254-L272 HydrophobicContact CD1-CD2 3.64Å; L261-L272 HydrophobicContact CB-CD1 4.36Å; L261-L272 HydrophobicContact CD1-CD1 4.5Å; L261-L272 HydrophobicContact CD2-CD1 4.42Å; I263-L272 HydrophobicContact CD1-CD1 4.41Å; I263-L272 HydrophobicContact CG1-CD1 3.77Å; L272-F274 HydrophobicContact CD2-CE2 3.95Å; L272-F274 HydrophobicContact CD2-CZ 3.82Å; L272-F274 HydrophobicContact CG-CE2 3.84Å; L272-F274 HydrophobicContact CG-CZ 4.1Å; L272-Y285 HydrophobicContact CD2-CD1 3.61Å; L272-Y285 HydrophobicContact CD2-CE1 3.94Å; L272-Y285 HydrophobicContact CD2-CG 4.33Å |
| 273 | I | 97.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129 | -171.4 | -58.6 | 163.2 | 0 | 0 | 0 | 109 | R230 V232 L261 K262 E264 L271 | R230-I273 HydrophobicContact CG-CG2 4.46Å; V232-I273 HydrophobicContact CG1-CG1 4.28Å; V232-I273 HydrophobicContact CG2-CG1 4.32Å; V232-I273 HydrophobicContact CG2-CG2 4.47Å; L261-I273 CarbonylContact C-O 2.98Å; L261-I273 WeakPolarHBondContact CA-O 3.36Å; K262-I273 HydrophobicContact CB-CB 4.25Å; K262-I273 PolarHBondContact N-O 2.88Å; K262-I273 WeakPolarHBondContact O-CB 3.39Å; K262-I273 PolarHBondContact O-N 2.83Å; E264-I273 HydrophobicContact CB-CD1 4.38Å; E264-I273 HydrophobicContact CG-CD1 3.91Å; E264-I273 WeakPolarHBondContact OE2-CD1 3.25Å; L271-I273 HydrophobicContact CB-CD1 4.41Å; L271-I273 HydrophobicContact CB-CG1 4.2Å |
| 274 | F | 96.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.009 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 122.1 | 172.8 | -58.7 | -103.7 | 0 | 0 | 0 | 107.7 | R230 G231 L233 L261 L272 V277 D281 Y285 L302 | R230-F274 VanDerWaalsContact CA-O 3.31Å; R230-F274 WeakPolarHBondContact CA-O 3.31Å; R230-F274 WeakPolarHBondContact CG-O 3.41Å; G231-F274 PolarHBondContact N-O 2.87Å; G231-F274 PolarHBondContact O-N 2.88Å; L233-F274 HydrophobicContact CD1-CE2 4.26Å; L233-F274 HydrophobicContact CG-CE2 4.13Å; L261-F274 HydrophobicContact CD2-CB 4.44Å; L261-F274 HydrophobicContact CD2-CD1 3.18Å; L261-F274 HydrophobicContact CD2-CD2 4.38Å; L261-F274 HydrophobicContact CD2-CE1 3.27Å; L261-F274 HydrophobicContact CD2-CE2 4.43Å; L261-F274 HydrophobicContact CD2-CG 3.76Å; L261-F274 HydrophobicContact CD2-CZ 3.92Å; L272-F274 HydrophobicContact CD2-CE2 3.95Å; L272-F274 HydrophobicContact CD2-CZ 3.82Å; L272-F274 HydrophobicContact CG-CE2 3.84Å; L272-F274 HydrophobicContact CG-CZ 4.1Å; F274-V277 HydrophobicContact CB-CG2 3.73Å; F274-V277 HydrophobicContact CG-CG2 4.23Å; F274-D281 HydrophobicContact CD1-CB 4.06Å; F274-D281 HydrophobicContact CE1-CB 3.99Å; F274-Y285 HydrophobicContact CE1-CE1 4.27Å; F274-Y285 AromaticContact CE1-CZ 3.9Å; F274-Y285 WeakPolarHBondContact CE1-OH 3.28Å; F274-Y285 HydrophobicContact CZ-CD1 4.48Å; F274-Y285 AromaticContact CZ-CE1 3.74Å; F274-Y285 HydrophobicContact CZ-CE1 3.74Å; F274-Y285 HydrophobicContact CZ-CE2 4.09Å; F274-Y285 AromaticContact CZ-CZ 3.53Å; F274-L302 HydrophobicContact CD1-CD2 4.15Å; F274-L302 HydrophobicContact CD2-CD2 4.21Å; F274-L302 HydrophobicContact CE1-CD2 3.93Å; F274-L302 HydrophobicContact CE2-CD2 4.03Å; F274-L302 HydrophobicContact CG-CD2 4.31Å; F274-L302 HydrophobicContact CZ-CD2 3.89Å |
| 275 | F | 95.4 | Very high | 95.1 | Very high | 121 Ų | 121 | 61 Ų | 61 | 53% | 0.531 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -72.2 | -38.7 | 178.1 | -71.9 | -66.3 | 0 | 0 | 0 | 112.4 | G260 K262 | G260-F275 WeakPolarHBondContact O-CD2 3.27Å; G260-F275 PolarHBondContact O-N 2.98Å; G260-F275 VanDerWaalsContact O-N 3.16Å; K262-F275 HydrophobicContact CB-CE2 4.01Å; K262-F275 HydrophobicContact CB-CZ 4.03Å; K262-F275 HydrophobicContact CD-CZ 4.08Å |
| 276 | N | 94.5 | Very high | 95.2 | Very high | 104 Ų | 104 | 59.3 Ų | 59.3 | 56% | 0.556 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -144.4 | 108.3 | 177.5 | -175.4 | -3 | 0 | 0 | 0 | 108.3 | G228 | G228-N276 WeakPolarHBondContact CA-OD1 3.47Å; G228-N276 PolarHBondContact N-OD1 2.81Å; G228-N276 PolarHBondContact O-OD1 3.35Å |
| 277 | V | 96.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | trans | -71.7 | 131.6 | -179.3 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | T225 V227 G228 Q229 F274 D281 Y282 L302 | T225-V277 HydrophobicContact CG2-CB 4.37Å; T225-V277 HydrophobicContact CG2-CG2 3.81Å; V227-V277 CarbonylContact C-O 3.55Å; V227-V277 VanDerWaalsContact CA-O 3.27Å; V227-V277 WeakPolarHBondContact CA-O 3.47Å; V227-V277 WeakPolarHBondContact CG1-O 3.34Å; G228-V277 PolarHBondContact N-O 2.87Å; Q229-V277 WeakPolarHBondContact O-CG2 3.45Å; Q229-V277 PolarHBondContact O-N 2.76Å; F274-V277 HydrophobicContact CB-CG2 3.73Å; F274-V277 HydrophobicContact CG-CG2 4.23Å; V277-D281 HydrophobicContact CG1-CB 4.34Å; V277-Y282 HydrophobicContact CG1-CD1 4.4Å; V277-Y282 HydrophobicContact CG1-CE1 3.74Å; V277-L302 HydrophobicContact CG1-CD2 4.22Å; V277-L302 HydrophobicContact CG2-CD2 4.25Å | ||
| 278 | S | 94.4 | Very high | 95.8 | Very high | 43 Ų | 43 | 51 Ų | 51 | 30% | 0.301 | 26% | 0.256 | S | S | . | . | trans | -107.5 | 168 | 170.1 | 69.6 | 0 | 0 | 0 | 0 | 111.5 | E280 D281 | S278-E280 PolarHBondContact O-N 2.96Å; S278-D281 WeakPolarHBondContact CB-OD2 3.48Å; S278-D281 PolarHBondContact N-OD2 3.46Å; S278-D281 WeakPolarHBondContact O-CB 3.28Å; S278-D281 PolarHBondContact O-N 2.83Å; S278-D281 VanDerWaalsContact O-N 3.13Å; S278-D281 VanDerWaalsContact OG-CG 3.26Å; S278-D281 PolarHBondContact OG-N 2.94Å; S278-D281 PolarHBondContact OG-OD2 3.23Å | ||
| 279 | E | 92.1 | Very high | 96 | Very high | 157 Ų | 157 | 45 Ų | 45 | 73% | 0.734 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -62.5 | -31.8 | 174.9 | -67.6 | -167.4 | 167.5 | 0 | 0 | 112.4 | V227 D281 Y282 | V227-E279 HydrophobicContact CG2-CG 3.95Å; E279-D281 PolarHBondContact O-N 2.84Å; E279-Y282 HydrophobicContact CG-CE2 4.48Å; E279-Y282 WeakPolarHBondContact O-CD2 3.12Å; E279-Y282 PolarHBondContact O-N 3.34Å |
| 280 | E | 92 | Very high | 96 | Very high | 170 Ų | 170 | 44.9 Ų | 44.9 | 79% | 0.794 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -66.9 | -25.1 | 176.9 | -62.7 | -177.2 | -172.7 | 0 | 0 | 112 | K249 S278 Y282 | K249-E280 PolarHBondContact NZ-O 3.41Å; S278-E280 PolarHBondContact O-N 2.96Å; E280-Y282 VanDerWaalsContact C-N 3.31Å; E280-Y282 PolarHBondContact O-N 2.9Å |
| 281 | D | 94.2 | Very high | 96 | Very high | 28 Ų | 28 | 46 Ų | 46 | 15% | 0.15 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -74.1 | -19.3 | -179.7 | -67 | -49.4 | 0 | 0 | 0 | 113.3 | F274 V277 S278 E279 Y285 L302 | F274-D281 HydrophobicContact CD1-CB 4.06Å; F274-D281 HydrophobicContact CE1-CB 3.99Å; V277-D281 HydrophobicContact CG1-CB 4.34Å; S278-D281 WeakPolarHBondContact CB-OD2 3.48Å; S278-D281 PolarHBondContact N-OD2 3.46Å; S278-D281 WeakPolarHBondContact O-CB 3.28Å; S278-D281 PolarHBondContact O-N 2.83Å; S278-D281 VanDerWaalsContact O-N 3.13Å; S278-D281 VanDerWaalsContact OG-CG 3.26Å; S278-D281 PolarHBondContact OG-N 2.94Å; S278-D281 PolarHBondContact OG-OD2 3.23Å; E279-D281 PolarHBondContact O-N 2.84Å; D281-Y285 VanDerWaalsContact O-CE2 3.26Å; D281-Y285 WeakPolarHBondContact O-CE2 3.25Å; D281-Y285 VanDerWaalsContact O-CZ 3.32Å; D281-Y285 PolarHBondContact O-OH 2.82Å; D281-L302 HydrophobicContact CB-CD2 3.99Å |
| 282 | Y | 94.9 | Very high | 96 | Very high | 58 Ų | 58 | 49.8 Ų | 49.8 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | trans | -64.6 | 151.6 | 177.5 | -62.1 | -48.3 | 0 | 0 | 0 | 112.1 | T225 V227 V277 E279 E280 L302 Y303 G304 | T225-Y282 WeakPolarHBondContact O-CE1 3.29Å; T225-Y282 PolarHBondContact O-OH 2.67Å; V227-Y282 HydrophobicContact CG2-CE2 4.06Å; V227-Y282 WeakPolarHBondContact CG2-OH 3.14Å; V227-Y282 PolarHBondContact N-OH 3.49Å; V277-Y282 HydrophobicContact CG1-CD1 4.4Å; V277-Y282 HydrophobicContact CG1-CE1 3.74Å; E279-Y282 HydrophobicContact CG-CE2 4.48Å; E279-Y282 WeakPolarHBondContact O-CD2 3.12Å; E279-Y282 PolarHBondContact O-N 3.34Å; E280-Y282 VanDerWaalsContact C-N 3.31Å; E280-Y282 PolarHBondContact O-N 2.9Å; Y282-L302 WeakPolarHBondContact CA-O 3.37Å; Y282-L302 HydrophobicContact CD1-CD2 4.41Å; Y282-L302 HydrophobicContact CD1-CG 4.11Å; Y282-Y303 VanDerWaalsContact CD1-C 3.45Å; Y282-Y303 WeakPolarHBondContact CE1-O 3.39Å; Y282-G304 VanDerWaalsContact CE1-N 3.26Å; Y282-G304 VanDerWaalsContact CZ-CA 3.45Å; Y282-G304 WeakPolarHBondContact OH-CA 3.3Å | ||
| 283 | G | 94.2 | Very high | 96 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 130.5 | -164.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y285 I301 L302 | G283-Y285 WeakPolarHBondContact O-CD2 3.39Å; G283-I301 WeakPolarHBondContact O-CA 3.45Å; G283-L302 PolarHBondContact N-O 3.06Å; G283-L302 PolarHBondContact O-N 2.98Å |
| 284 | N | 95.9 | Very high | 95.9 | Very high | 96 Ų | 96 | 53.9 Ų | 53.9 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132.8 | -176.4 | -68.3 | -23.1 | 0 | 0 | 0 | 111.1 | I301 | N284-I301 WeakPolarHBondContact OD1-CG1 3.34Å |
| 285 | Y | 97 | Very high | 96 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.3 | 173.4 | -68.6 | -94.1 | 0 | 0 | 0 | 108.8 | L233 Y248 K249 L254 L272 F274 D281 G283 S299 I300 L302 | L233-Y285 HydrophobicContact CD1-CD1 4.36Å; L233-Y285 HydrophobicContact CD1-CD2 3.51Å; L233-Y285 HydrophobicContact CD1-CE2 4.25Å; L233-Y285 HydrophobicContact CD1-CG 3.59Å; Y248-Y285 CarbonylContact O-C 3.5Å; Y248-Y285 VanDerWaalsContact O-CA 3.23Å; Y248-Y285 WeakPolarHBondContact O-CA 3.37Å; K249-Y285 HydrophobicContact CB-CD1 3.92Å; K249-Y285 HydrophobicContact CB-CE1 3.75Å; K249-Y285 HydrophobicContact CD-CE1 3.76Å; K249-Y285 WeakPolarHBondContact CE-OH 3.36Å; K249-Y285 HydrophobicContact CG-CD1 4.16Å; K249-Y285 HydrophobicContact CG-CE1 3.77Å; K249-Y285 PolarHBondContact NZ-OH 2.67Å; L254-Y285 HydrophobicContact CD1-CD1 3.76Å; L254-Y285 HydrophobicContact CD1-CE1 3.78Å; L272-Y285 HydrophobicContact CD2-CD1 3.61Å; L272-Y285 HydrophobicContact CD2-CE1 3.94Å; L272-Y285 HydrophobicContact CD2-CG 4.33Å; F274-Y285 HydrophobicContact CE1-CE1 4.27Å; F274-Y285 AromaticContact CE1-CZ 3.9Å; F274-Y285 WeakPolarHBondContact CE1-OH 3.28Å; F274-Y285 HydrophobicContact CZ-CD1 4.48Å; F274-Y285 AromaticContact CZ-CE1 3.74Å; F274-Y285 HydrophobicContact CZ-CE1 3.74Å; F274-Y285 HydrophobicContact CZ-CE2 4.09Å; F274-Y285 AromaticContact CZ-CZ 3.53Å; D281-Y285 VanDerWaalsContact O-CE2 3.26Å; D281-Y285 WeakPolarHBondContact O-CE2 3.25Å; D281-Y285 VanDerWaalsContact O-CZ 3.32Å; D281-Y285 PolarHBondContact O-OH 2.82Å; G283-Y285 WeakPolarHBondContact O-CD2 3.39Å; Y285-S299 CarbonylContact O-C 3.52Å; Y285-S299 WeakPolarHBondContact O-CA 3.3Å; Y285-I300 PolarHBondContact N-O 2.84Å; Y285-I300 PolarHBondContact O-N 2.86Å; Y285-L302 HydrophobicContact CD2-CB 4.23Å; Y285-L302 HydrophobicContact CE2-CB 3.84Å |
| 286 | T | 97.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 55.8 Ų | 55.8 | 18% | 0.184 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.8 | 176.3 | -57.5 | 0 | 0 | 0 | 0 | 108.8 | W247 Y248 V288 N297 A298 | W247-T286 WeakPolarHBondContact CA-O 3.43Å; Y248-T286 PolarHBondContact N-O 3.3Å; Y248-T286 PolarHBondContact O-N 3.07Å; T286-V288 HydrophobicContact CG2-CG2 4.1Å; T286-N297 HydrophobicContact CG2-CB 3.84Å; T286-A298 WeakPolarHBondContact CA-O 3.44Å |
| 287 | C | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 131.2 | 164.9 | 64.7 | 0 | 0 | 0 | 0 | 109 | C235 E246 W247 N297 A298 I300 | C235-C287 HydrophobicContact CB-CB 3.43Å; C235-C287 VanDerWaalsContact CB-CB 3.43Å; C235-C287 WeakPolarHBondContact CB-SG 3.44Å; C235-C287 WeakPolarHBondContact SG-CB 3.44Å; C235-C287 CovalentContact SG-SG 2.05Å; C235-C287 PolarHBondContact SG-SG 3.29Å; E246-C287 WeakPolarHBondContact O-CA 3.3Å; W247-C287 HydrophobicContact CD2-CB 4.17Å; W247-C287 HydrophobicContact CE3-CB 3.99Å; W247-C287 HydrophobicContact CH2-CB 3.93Å; W247-C287 HydrophobicContact CZ2-CB 4.08Å; W247-C287 HydrophobicContact CZ3-CB 3.88Å; C287-N297 CarbonylContact O-C 3.55Å; C287-N297 WeakPolarHBondContact O-CA 3.41Å; C287-N297 WeakPolarHBondContact O-CB 3.27Å; C287-A298 PolarHBondContact N-O 2.88Å; C287-A298 PolarHBondContact O-N 2.87Å; C287-I300 HydrophobicContact CB-CD1 4.29Å |
| 288 | V | 97.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.7 | 176.9 | -178.2 | 0 | 0 | 0 | 0 | 107.5 | F245 E246 Y248 T286 M290 I295 T296 N297 | F245-V288 CarbonylContact C-O 3.55Å; F245-V288 VanDerWaalsContact CA-O 3.31Å; F245-V288 WeakPolarHBondContact CA-O 3.45Å; E246-V288 HydrophobicContact CB-CB 4.38Å; E246-V288 PolarHBondContact N-O 2.84Å; E246-V288 PolarHBondContact O-N 2.9Å; Y248-V288 HydrophobicContact CD2-CG2 3.72Å; Y248-V288 HydrophobicContact CE2-CB 4.34Å; Y248-V288 HydrophobicContact CE2-CG2 3.78Å; T286-V288 HydrophobicContact CG2-CG2 4.1Å; V288-M290 HydrophobicContact CG1-CE 4.07Å; V288-I295 HydrophobicContact CG1-CG2 3.63Å; V288-T296 WeakPolarHBondContact CA-O 3.24Å; V288-N297 HydrophobicContact CG2-CB 4Å |
| 289 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | P215 A237 A243 D244 F245 I295 T296 | P215-A289 HydrophobicContact CB-CB 4.06Å; P215-A289 VanDerWaalsContact CG-O 3.23Å; P215-A289 WeakPolarHBondContact CG-O 3.44Å; A237-A289 HydrophobicContact CB-CB 3.65Å; A243-A289 HydrophobicContact CB-CB 4.13Å; D244-A289 CarbonylContact O-C 3.49Å; D244-A289 WeakPolarHBondContact O-CA 3.42Å; F245-A289 HydrophobicContact CD1-CB 4.12Å; F245-A289 HydrophobicContact CE1-CB 3.88Å; F245-A289 HydrophobicContact CZ-CB 4.32Å; A289-I295 WeakPolarHBondContact O-CA 3.33Å; A289-T296 HydrophobicContact CB-CG2 3.98Å; A289-T296 PolarHBondContact N-O 2.94Å; A289-T296 PolarHBondContact O-N 3.2Å |
| 290 | M | 97.8 | Very high | 96.5 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 144.9 | -176.8 | 64.8 | -176.9 | 76.2 | 0 | 0 | 112.5 | A243 D244 E246 V288 G294 I295 | A243-M290 CarbonylContact C-O 3.49Å; A243-M290 WeakPolarHBondContact CA-O 3.31Å; D244-M290 HydrophobicContact CB-CG 4.22Å; D244-M290 PolarHBondContact N-O 2.83Å; D244-M290 PolarHBondContact O-N 2.63Å; E246-M290 HydrophobicContact CG-CE 4.06Å; V288-M290 HydrophobicContact CG1-CE 4.07Å; M290-G294 WeakPolarHBondContact CA-O 3.26Å; M290-I295 HydrophobicContact CB-CB 4.43Å; M290-I295 HydrophobicContact CB-CG1 3.88Å; M290-I295 HydrophobicContact CB-CG2 4.3Å |
| 291 | N | 97.5 | Very high | 96.6 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | -174.1 | 165.4 | 75 | -2 | 0 | 0 | 0 | 109.6 | Y213 P215 V240 P241 M293 G294 | Y213-N291 PolarHBondContact O-ND2 2.92Å; P215-N291 VanDerWaalsContact CD-OD1 3.28Å; P215-N291 WeakPolarHBondContact CD-OD1 3.42Å; V240-N291 PolarHBondContact O-ND2 2.82Å; P241-N291 WeakPolarHBondContact O-CB 2.96Å; P241-N291 PolarHBondContact O-ND2 3.34Å; N291-M293 PolarHBondContact O-N 3.13Å; N291-M293 VanDerWaalsContact O-N 3.1Å; N291-M293 WeakPolarHBondContact OD1-CA 3.46Å; N291-M293 VanDerWaalsContact OD1-CB 3.3Å; N291-M293 WeakPolarHBondContact OD1-CB 3.49Å; N291-M293 PolarHBondContact OD1-N 3.03Å; N291-G294 PolarHBondContact N-O 2.75Å; N291-G294 PolarHBondContact O-N 3.29Å; N291-G294 PolarHBondContact OD1-N 3.46Å; N291-G294 VanDerWaalsContact OD1-N 3.11Å |
| 292 | T | 97.2 | Very high | 96.6 | Very high | 114 Ų | 114 | 43.3 Ų | 43.3 | 70% | 0.699 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -11.8 | 178.3 | 52.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 293 | M | 96.9 | Very high | 96.5 | Very high | 64 Ų | 64 | 43.8 Ų | 43.8 | 32% | 0.315 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -16.1 | -179.9 | -57 | -64.2 | 123.8 | 0 | 0 | 113 | N212 P214 N291 | N212-M293 HydrophobicContact CB-CE 4.18Å; N212-M293 HydrophobicContact CB-CG 3.94Å; N212-M293 HydrophobicContact CB-SD 3.88Å; P214-M293 HydrophobicContact CB-CB 4.17Å; N291-M293 PolarHBondContact O-N 3.13Å; N291-M293 VanDerWaalsContact O-N 3.1Å; N291-M293 WeakPolarHBondContact OD1-CA 3.46Å; N291-M293 VanDerWaalsContact OD1-CB 3.3Å; N291-M293 WeakPolarHBondContact OD1-CB 3.49Å; N291-M293 PolarHBondContact OD1-N 3.03Å |
| 294 | G | 96.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 43.2 Ų | 43.2 | 25% | 0.247 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.6 | -171.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | P215 M290 N291 | P215-G294 VanDerWaalsContact CD-O 3.3Å; P215-G294 WeakPolarHBondContact CD-O 3.33Å; P215-G294 WeakPolarHBondContact CG-O 3.17Å; M290-G294 WeakPolarHBondContact CA-O 3.26Å; N291-G294 PolarHBondContact N-O 2.75Å; N291-G294 PolarHBondContact O-N 3.29Å; N291-G294 PolarHBondContact OD1-N 3.46Å; N291-G294 VanDerWaalsContact OD1-N 3.11Å |
| 295 | I | 97.8 | Very high | 95.5 | Very high | 124 Ų | 124 | 43 Ų | 43 | 64% | 0.636 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135 | 141.9 | -175.2 | -52.1 | 177.6 | 0 | 0 | 0 | 108.6 | V288 A289 M290 | V288-I295 HydrophobicContact CG1-CG2 3.63Å; A289-I295 WeakPolarHBondContact O-CA 3.33Å; M290-I295 HydrophobicContact CB-CB 4.43Å; M290-I295 HydrophobicContact CB-CG1 3.88Å; M290-I295 HydrophobicContact CB-CG2 4.3Å |
| 296 | T | 98 | Very high | 94.1 | Very high | 39 Ų | 39 | 46.1 Ų | 46.1 | 24% | 0.239 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 160.9 | 172.2 | -167.5 | 0 | 0 | 0 | 0 | 110 | P215 I217 V288 A289 | P215-T296 HydrophobicContact CB-CG2 3.79Å; P215-T296 HydrophobicContact CG-CG2 3.92Å; P215-T296 WeakPolarHBondContact O-CB 3.4Å; P215-T296 VanDerWaalsContact O-CG2 3.23Å; P215-T296 WeakPolarHBondContact O-CG2 3.21Å; I217-T296 HydrophobicContact CD1-CG2 3.99Å; I217-T296 HydrophobicContact CG1-CG2 3.8Å; V288-T296 WeakPolarHBondContact CA-O 3.24Å; A289-T296 HydrophobicContact CB-CG2 3.98Å; A289-T296 PolarHBondContact N-O 2.94Å; A289-T296 PolarHBondContact O-N 3.2Å |
| 297 | N | 97.1 | Very high | 92.4 | Very high | 104 Ų | 104 | 46.8 Ų | 46.8 | 56% | 0.556 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 161.1 | 177.9 | 63.2 | 25.1 | 0 | 0 | 0 | 112.4 | T286 C287 V288 | T286-N297 HydrophobicContact CG2-CB 3.84Å; C287-N297 CarbonylContact O-C 3.55Å; C287-N297 WeakPolarHBondContact O-CA 3.41Å; C287-N297 WeakPolarHBondContact O-CB 3.27Å; V288-N297 HydrophobicContact CG2-CB 4Å |
| 298 | A | 96.7 | Very high | 90 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 144 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I217 A220 T286 C287 | I217-A298 HydrophobicContact CB-CB 4.41Å; I217-A298 HydrophobicContact CD1-CB 3.51Å; I217-A298 VanDerWaalsContact CD1-N 3.29Å; I217-A298 HydrophobicContact CG2-CB 3.94Å; A220-A298 HydrophobicContact CB-CB 3.9Å; T286-A298 WeakPolarHBondContact CA-O 3.44Å; C287-A298 PolarHBondContact N-O 2.88Å; C287-A298 PolarHBondContact O-N 2.87Å |
| 299 | S | 95.4 | Very high | 88.1 | Confident | 86 Ų | 86 | 54.2 Ų | 54.2 | 60% | 0.601 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 134.4 | 175.3 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | Y285 | Y285-S299 CarbonylContact O-C 3.52Å; Y285-S299 WeakPolarHBondContact O-CA 3.3Å |
| 300 | I | 95.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.4 | -175.2 | -61.7 | 170.3 | 0 | 0 | 0 | 107.7 | A220 R221 L233 C235 W247 Y285 C287 | A220-I300 HydrophobicContact CB-CD1 3.95Å; A220-I300 HydrophobicContact CB-CG1 3.8Å; R221-I300 VanDerWaalsContact C-CG2 3.5Å; R221-I300 WeakPolarHBondContact O-CG2 3.4Å; L233-I300 HydrophobicContact CB-CG2 4.13Å; L233-I300 HydrophobicContact CD1-CG2 3.97Å; L233-I300 HydrophobicContact CD2-CG2 3.73Å; L233-I300 HydrophobicContact CG-CG2 4.15Å; C235-I300 HydrophobicContact CB-CD1 4Å; W247-I300 HydrophobicContact CH2-CD1 3.61Å; W247-I300 HydrophobicContact CZ3-CD1 3.74Å; Y285-I300 PolarHBondContact N-O 2.84Å; Y285-I300 PolarHBondContact O-N 2.86Å; C287-I300 HydrophobicContact CB-CD1 4.29Å |
| 301 | I | 94.4 | Very high | 83.3 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 15% | 0.154 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.2 | -175.4 | -47 | -170.5 | 0 | 0 | 0 | 110.4 | S222 T223 G283 N284 Y303 G313 | S222-I301 CarbonylContact C-O 3.5Å; S222-I301 VanDerWaalsContact CA-O 3.22Å; S222-I301 WeakPolarHBondContact CA-O 3.49Å; S222-I301 VanDerWaalsContact CB-O 3.22Å; S222-I301 WeakPolarHBondContact CB-O 3.24Å; S222-I301 PolarHBondContact OG-N 2.77Å; T223-I301 PolarHBondContact N-O 2.88Å; G283-I301 WeakPolarHBondContact O-CA 3.45Å; N284-I301 WeakPolarHBondContact OD1-CG1 3.34Å; I301-Y303 HydrophobicContact CB-CD1 4.49Å; I301-Y303 HydrophobicContact CG2-CD1 4.22Å; I301-G313 VanDerWaalsContact CD1-O 3.24Å; I301-G313 WeakPolarHBondContact CD1-O 3.48Å |
| 302 | L | 94.9 | Very high | 80.9 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 125.1 | 161.1 | -172 | 72.8 | 0 | 0 | 0 | 108.5 | T223 L233 F274 V277 D281 Y282 G283 Y285 | T223-L302 WeakPolarHBondContact O-CA 2.94Å; L233-L302 HydrophobicContact CD1-CB 4.38Å; L233-L302 HydrophobicContact CD2-CB 4.27Å; L233-L302 HydrophobicContact CD2-CD1 4.1Å; F274-L302 HydrophobicContact CD1-CD2 4.15Å; F274-L302 HydrophobicContact CD2-CD2 4.21Å; F274-L302 HydrophobicContact CE1-CD2 3.93Å; F274-L302 HydrophobicContact CE2-CD2 4.03Å; F274-L302 HydrophobicContact CG-CD2 4.31Å; F274-L302 HydrophobicContact CZ-CD2 3.89Å; V277-L302 HydrophobicContact CG1-CD2 4.22Å; V277-L302 HydrophobicContact CG2-CD2 4.25Å; D281-L302 HydrophobicContact CB-CD2 3.99Å; Y282-L302 WeakPolarHBondContact CA-O 3.37Å; Y282-L302 HydrophobicContact CD1-CD2 4.41Å; Y282-L302 HydrophobicContact CD1-CG 4.11Å; G283-L302 PolarHBondContact N-O 3.06Å; G283-L302 PolarHBondContact O-N 2.98Å; Y285-L302 HydrophobicContact CD2-CB 4.23Å; Y285-L302 HydrophobicContact CE2-CB 3.84Å |
| 303 | Y | 93 | Very high | 78.6 | Confident | 67 Ų | 67 | 65 Ų | 65 | 26% | 0.263 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 157.6 | -175.8 | 60.9 | -88.6 | 0 | 0 | 0 | 113 | T223 G224 T225 Y282 I301 A307 | T223-Y303 VanDerWaalsContact C-CE1 3.5Å; T223-Y303 WeakPolarHBondContact O-CD1 3.4Å; T223-Y303 PolarHBondContact O-N 2.01Å; T223-Y303 VanDerWaalsContact O-N 3.13Å; G224-Y303 CarbonylContact C-O 3.54Å; G224-Y303 WeakPolarHBondContact CA-O 3.35Å; T225-Y303 PolarHBondContact N-O 2.83Å; Y282-Y303 VanDerWaalsContact CD1-C 3.45Å; Y282-Y303 WeakPolarHBondContact CE1-O 3.39Å; I301-Y303 HydrophobicContact CB-CD1 4.49Å; I301-Y303 HydrophobicContact CG2-CD1 4.22Å; Y303-A307 HydrophobicContact CD2-CB 4.09Å |
| 304 | G | 90.6 | Very high | 76.5 | Confident | 16 Ų | 16 | 65.2 Ų | 65.2 | 17% | 0.165 | 40% | 0.397 | C | S | . | . | trans | -80.8 | 158.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y282 G306 A307 | Y282-G304 VanDerWaalsContact CE1-N 3.26Å; Y282-G304 VanDerWaalsContact CZ-CA 3.45Å; Y282-G304 WeakPolarHBondContact OH-CA 3.3Å; G304-G306 PolarHBondContact O-N 3.29Å; G304-A307 PolarHBondContact O-N 2.84Å | ||
| 305 | P | 77.8 | Confident | 74.3 | Confident | 91 Ų | 91 | 69 Ų | 69 | 59% | 0.591 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 126.6 | 175.1 | -18.2 | 29.6 | 0 | 0 | 0 | 111 | P226 | P226-P305 HydrophobicContact CB-CG 3.71Å; P226-P305 HydrophobicContact CG-CG 3.52Å |
| 306 | G | 66.9 | Low | 72.1 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 69% | 0.691 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.8 | -7.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | G304 M308 | G304-G306 PolarHBondContact O-N 3.29Å; G306-M308 PolarHBondContact O-N 2.84Å |
| 307 | A | 61.8 | Low | 69.7 | Low | 45 Ų | 45 | 72 Ų | 72 | 37% | 0.372 | 43% | 0.434 | S | S | . | . | trans | -72.9 | 107.8 | 164 | 0 | 0 | 0 | 0 | 0 | 109 | Y303 G304 H309 | Y303-A307 HydrophobicContact CD2-CB 4.09Å; G304-A307 PolarHBondContact O-N 2.84Å; A307-H309 PolarHBondContact O-N 2.79Å | ||
| 308 | M | 48.9 | Very low | 67.2 | Low | 118 Ų | 118 | 76.4 Ų | 76.4 | 58% | 0.581 | 44% | 0.443 | S | S | * | . | trans | -73.5 | 117.7 | 171.2 | -78.8 | -177.4 | 87.3 | 0 | 0 | 108.3 | G306 V316 | G306-M308 PolarHBondContact O-N 2.84Å; M308-V316 HydrophobicContact CB-CB 3.94Å; M308-V316 HydrophobicContact CB-CG2 4.43Å; M308-V316 PolarHBondContact O-N 3.07Å | ||
| 309 | H | 56.3 | Low | 64.6 | Low | 55 Ų | 55 | 86.9 Ų | 86.9 | 26% | 0.255 | 48% | 0.478 | S | S | . | . | B | Isolated β-bridge | trans | -119.5 | 141.1 | 167.7 | -70.5 | -95.3 | 0 | 0 | 0 | 108.9 | A307 G313 T314 P315 | A307-H309 PolarHBondContact O-N 2.79Å; H309-G313 PolarHBondContact ND1-O 2.79Å; H309-T314 CarbonylContact C-O 3.54Å; H309-T314 WeakPolarHBondContact CA-O 3.39Å; H309-P315 WeakPolarHBondContact ND1-CA 3.46Å |
| 310 | D | 48.9 | Very low | 61.9 | Low | 97 Ų | 97 | 88 Ų | 88 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | trans | -66.5 | 173.1 | 172.9 | -64.7 | -40.4 | 0 | 0 | 0 | 110.6 | N312 G313 T314 V316 | D310-N312 PolarHBondContact O-N 3.14Å; D310-G313 PolarHBondContact O-N 3.03Å; D310-T314 WeakPolarHBondContact CB-OG1 3.25Å; D310-T314 PolarHBondContact N-O 2.64Å; D310-T314 PolarHBondContact OD2-OG1 2.82Å; D310-V316 WeakPolarHBondContact OD1-CG2 3.32Å | ||
| 311 | V | 46.9 | Very low | 59.6 | Low | 152 Ų | 152 | 94.1 Ų | 94.1 | 92% | 0.921 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -19.3 | 179.7 | -174.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 312 | N | 46.2 | Very low | 57.2 | Low | 150 Ų | 150 | 96.9 Ų | 96.9 | 80% | 0.802 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 10.2 | 178.3 | -66.9 | -12.4 | 0 | 0 | 0 | 114.7 | D310 T314 | D310-N312 PolarHBondContact O-N 3.14Å; N312-T314 PolarHBondContact O-N 3.13Å |
| 313 | G | 50.2 | Low | 54.8 | Low | 14 Ų | 14 | 102.8 Ų | 102.8 | 14% | 0.144 | 59% | 0.594 | C | S | . | * | trans | 79.8 | 8.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | I301 H309 D310 | I301-G313 VanDerWaalsContact CD1-O 3.24Å; I301-G313 WeakPolarHBondContact CD1-O 3.48Å; H309-G313 PolarHBondContact ND1-O 2.79Å; D310-G313 PolarHBondContact O-N 3.03Å | ||
| 314 | T | 53.2 | Low | 52.3 | Low | 70 Ų | 70 | 107.9 Ų | 107.9 | 43% | 0.429 | 63% | 0.625 | S | S | . | * | trans | -75 | 132 | 175.8 | 41.6 | 0 | 0 | 0 | 0 | 111.4 | H309 D310 N312 V316 | H309-T314 CarbonylContact C-O 3.54Å; H309-T314 WeakPolarHBondContact CA-O 3.39Å; D310-T314 WeakPolarHBondContact CB-OG1 3.25Å; D310-T314 PolarHBondContact N-O 2.64Å; D310-T314 PolarHBondContact OD2-OG1 2.82Å; N312-T314 PolarHBondContact O-N 3.13Å; T314-V316 PolarHBondContact O-N 2.97Å | ||
| 315 | P | 49.5 | Very low | 50 | Low | 102 Ų | 102 | 115 Ų | 115 | 66% | 0.662 | 66% | 0.659 | S | S | * | * | B | Isolated β-bridge | trans | -67.1 | 125.6 | 179.4 | 24.7 | -30.8 | 0 | 0 | 0 | 111.1 | H309 | H309-P315 WeakPolarHBondContact ND1-CA 3.46Å |
| 316 | V | 52.8 | Low | 48 | Very low | 55 Ų | 55 | 118.7 Ų | 118.7 | 33% | 0.333 | 67% | 0.673 | S | S | . | * | trans | -92.1 | 113.1 | 175.4 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | M308 D310 T314 R318 | M308-V316 HydrophobicContact CB-CB 3.94Å; M308-V316 HydrophobicContact CB-CG2 4.43Å; M308-V316 PolarHBondContact O-N 3.07Å; D310-V316 WeakPolarHBondContact OD1-CG2 3.32Å; T314-V316 PolarHBondContact O-N 2.97Å; V316-R318 PolarHBondContact O-N 2.76Å | ||
| 317 | L | 46.2 | Very low | 46.4 | Very low | 173 Ų | 173 | 121.2 Ų | 121.2 | 91% | 0.906 | 68% | 0.675 | S | S | * | * | trans | -63.6 | 119.6 | 175.9 | -87.9 | 154.5 | 0 | 0 | 0 | 110.8 | R319 | L317-R319 PolarHBondContact O-N 3.19Š| ||
| 318 | R | 45.2 | Very low | 45.1 | Very low | 195 Ų | 195 | 126.2 Ų | 126.2 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | trans | -68.4 | 118.9 | 166.2 | -90.5 | -172 | 170.8 | -162.1 | -1.1 | 109.6 | V316 C320 | V316-R318 PolarHBondContact O-N 2.76Å; R318-C320 PolarHBondContact O-N 2.97Å | ||
| 319 | R | 42 | Very low | 44.5 | Very low | 241 Ų | 241 | 126.3 Ų | 126.3 | 91% | 0.909 | 71% | 0.708 | S | S | * | * | trans | -74.6 | 106.7 | 155.7 | -78.7 | -173.8 | 177.4 | -161.4 | -0.3 | 108 | L317 S321 | L317-R319 PolarHBondContact O-N 3.19Å; R319-S321 PolarHBondContact O-N 3.02Å | ||
| 320 | C | 38.2 | Very low | 43.4 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 74% | 0.743 | 74% | 0.737 | S | S | * | * | trans | -76.5 | 108.4 | 169.3 | -88 | 0 | 0 | 0 | 0 | 110 | R318 A322 | R318-C320 PolarHBondContact O-N 2.97Å; C320-A322 PolarHBondContact O-N 3.37Å; C320-A322 VanDerWaalsContact O-N 3.12Å | ||
| 321 | S | 47.8 | Very low | 42.7 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | trans | -82.4 | 52 | 172.3 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | R319 | R319-S321 PolarHBondContact O-N 3.02Š| ||
| 322 | A | 44.3 | Very low | 42.4 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | trans | -146.6 | 68.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | C320 | C320-A322 PolarHBondContact O-N 3.37Å; C320-A322 VanDerWaalsContact O-N 3.12Å | ||
| 323 | C | 43.5 | Very low | 42 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | -162.5 | 77.8 | 159.2 | -132.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 324 | L | 41.8 | Very low | 41.2 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | trans | -168.1 | 82.7 | 163 | -108 | 146.3 | 0 | 0 | 0 | 107.3 | ||||
| 325 | L | 42.7 | Very low | 40.4 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -169.3 | 92.3 | 156.4 | -99.5 | 163.4 | 0 | 0 | 0 | 105.4 | ||||
| 326 | L | 34.8 | Very low | 39.9 | Very low | 167 Ų | 167 | 152.7 Ų | 152.7 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -171.5 | 136.2 | 145.1 | -97.6 | 155.6 | 0 | 0 | 0 | 109.3 | ||||
| 327 | T | 33.6 | Very low | 39.3 | Very low | 121 Ų | 121 | 157.6 Ų | 157.6 | 74% | 0.742 | 84% | 0.839 | S | S | * | * | trans | 77.3 | 87.3 | 170.7 | 75.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 328 | V | 34.8 | Very low | 38.9 | Very low | 149 Ų | 149 | 156.7 Ų | 156.7 | 90% | 0.903 | 84% | 0.835 | S | S | * | * | trans | -127.7 | 97 | 135.6 | -179 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 329 | T | 36 | Very low | 38.6 | Very low | 120 Ų | 120 | 154.6 Ų | 154.6 | 74% | 0.736 | 84% | 0.841 | S | S | * | * | trans | -132.1 | 126.9 | 160.2 | 40.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 330 | L | 33.1 | Very low | 38.4 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 86% | 0.864 | 84% | 0.837 | S | S | * | * | trans | 59.5 | 105.5 | 164.5 | -79.2 | 88.4 | 0 | 0 | 0 | 118.9 | ||||
| 331 | S | 34.3 | Very low | 38.4 | Very low | 122 Ų | 122 | 152 Ų | 152 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | -175.2 | 74.2 | 123.7 | 35.5 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 332 | H | 40.7 | Very low | 37.8 | Very low | 197 Ų | 197 | 153.6 Ų | 153.6 | 91% | 0.912 | 84% | 0.839 | S | S | * | * | trans | -98.8 | 92.5 | 149.8 | -113.4 | -48.8 | 0 | 0 | 0 | 106.8 | ||||
| 333 | L | 38.1 | Very low | 37.3 | Very low | 147 Ų | 147 | 158.4 Ų | 158.4 | 77% | 0.77 | 85% | 0.847 | S | S | * | * | trans | -170.2 | 126.1 | 158.2 | -104.7 | 152.7 | 0 | 0 | 0 | 108.4 | ||||
| 334 | L | 32.7 | Very low | 36.8 | Very low | 137 Ų | 137 | 160.9 Ų | 160.9 | 72% | 0.717 | 85% | 0.848 | S | S | * | * | trans | 80.3 | 133.3 | 166.5 | -49.6 | 152.3 | 0 | 0 | 0 | 113.1 | ||||
| 335 | K | 36.1 | Very low | 36.4 | Very low | 159 Ų | 159 | 159.8 Ų | 159.8 | 69% | 0.691 | 84% | 0.842 | S | S | * | * | cis | -177.2 | 147.3 | 11.8 | -122 | 169.1 | -178.4 | 167.3 | 0 | 107.5 | ||||
| 336 | F | 40.3 | Very low | 35.8 | Very low | 267 Ų | 267 | 159.2 Ų | 159.2 | 100% | 1.171 | 84% | 0.839 | S | S | * | * | trans | 65.7 | 0 | 162 | -67.7 | -73.9 | 0 | 0 | 0 | 119.5 |
Retrieved 336 of 336 residues in 102.4 ms
(Link to these results)