| 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 | 37.7 | Very low | 49.4 | Very low | 189 Ų | 189 | 121.7 Ų | 121.7 | 93% | 0.931 | 62% | 0.624 | S | S | * | * | 0 | -72.7 | 0 | -66 | -48.7 | 174.9 | 0 | 0 | 113.1 | L3 I4 G5 | M1-L3 PolarHBondContact O-N 2.77Å; M1-I4 WeakPolarHBondContact O-CA 3.36Å; M1-I4 WeakPolarHBondContact O-CB 3.38Å; M1-I4 PolarHBondContact O-N 3.39Å; M1-I4 HydrophobicContact SD-CD1 4.12Å; M1-G5 PolarHBondContact O-N 2.95Å | |||
| 2 | L | 36.3 | Very low | 49 | Very low | 162 Ų | 162 | 122.4 Ų | 122.4 | 85% | 0.848 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -56.5 | -43.1 | -179.7 | -89.9 | 154.7 | 0 | 0 | 0 | 113.8 | I4 G5 F6 | L2-I4 VanDerWaalsContact C-N 3.26Å; L2-I4 PolarHBondContact O-N 2.98Å; L2-G5 PolarHBondContact O-N 2.77Å; L2-F6 PolarHBondContact O-N 3.28Å; L2-F6 VanDerWaalsContact O-N 3.1Å |
| 3 | L | 43.1 | Very low | 48.3 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 73% | 0.728 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.5 | -32.3 | 171.7 | -89 | 74.5 | 0 | 0 | 0 | 113.7 | M1 F6 L7 | M1-L3 PolarHBondContact O-N 2.77Å; L3-F6 PolarHBondContact O-N 2.89Å; L3-L7 WeakPolarHBondContact O-CD1 3.35Å; L3-L7 PolarHBondContact O-N 3.26Å |
| 4 | I | 54.4 | Low | 47.7 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 53% | 0.528 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72.5 | -40.2 | -176.9 | -56.9 | 173.8 | 0 | 0 | 0 | 109.7 | M1 L2 F6 F8 | M1-I4 WeakPolarHBondContact O-CA 3.36Å; M1-I4 WeakPolarHBondContact O-CB 3.38Å; M1-I4 PolarHBondContact O-N 3.39Å; M1-I4 HydrophobicContact SD-CD1 4.12Å; L2-I4 VanDerWaalsContact C-N 3.26Å; L2-I4 PolarHBondContact O-N 2.98Å; I4-F6 VanDerWaalsContact C-N 3.3Å; I4-F6 PolarHBondContact O-N 3.26Å; I4-F8 PolarHBondContact O-N 3.01Å; I4-F8 VanDerWaalsContact O-N 3.09Å |
| 5 | G | 51.1 | Low | 46.7 | Very low | 37 Ų | 37 | 129.1 Ų | 129.1 | 38% | 0.381 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -65.1 | -33.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113 | M1 L2 F8 I9 | M1-G5 PolarHBondContact O-N 2.95Å; L2-G5 PolarHBondContact O-N 2.77Å; G5-F8 PolarHBondContact O-N 2.82Å; G5-I9 WeakPolarHBondContact O-CG1 3.23Å; G5-I9 PolarHBondContact O-N 2.91Å; G5-I9 VanDerWaalsContact O-N 3.08Å |
| 6 | F | 56.5 | Low | 45.6 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 64% | 0.64 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69 | -42.6 | 177 | -139.7 | -95.1 | 0 | 0 | 0 | 112.1 | L2 L3 I4 F8 I9 I10 | L2-F6 PolarHBondContact O-N 3.28Å; L2-F6 VanDerWaalsContact O-N 3.1Å; L3-F6 PolarHBondContact O-N 2.89Å; I4-F6 VanDerWaalsContact C-N 3.3Å; I4-F6 PolarHBondContact O-N 3.26Å; F6-F8 VanDerWaalsContact C-N 3.34Å; F6-F8 PolarHBondContact O-N 2.82Å; F6-I9 PolarHBondContact O-N 2.97Å; F6-I10 HydrophobicContact CD1-CD1 3.92Å; F6-I10 HydrophobicContact CE1-CD1 4.28Å; F6-I10 WeakPolarHBondContact O-CG1 3.23Å; F6-I10 PolarHBondContact O-N 3.1Å; F6-I10 VanDerWaalsContact O-N 3.11Å |
| 7 | L | 54.9 | Low | 44.6 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 58% | 0.576 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -60 | -42.4 | 170.6 | -96.8 | 76.3 | 0 | 0 | 0 | 111.9 | L3 I9 I10 L11 | L3-L7 WeakPolarHBondContact O-CD1 3.35Å; L3-L7 PolarHBondContact O-N 3.26Å; L7-I9 VanDerWaalsContact C-N 3.33Å; L7-I9 PolarHBondContact O-N 3.26Å; L7-I10 PolarHBondContact O-N 3.21Å; L7-L11 WeakPolarHBondContact O-CG 3.35Å; L7-L11 PolarHBondContact O-N 3.03Å |
| 8 | F | 52.9 | Low | 43.9 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 59% | 0.592 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -63.8 | -36.5 | -179.9 | -126.2 | -88.7 | 0 | 0 | 0 | 113 | I4 G5 F6 L12 | I4-F8 PolarHBondContact O-N 3.01Å; I4-F8 VanDerWaalsContact O-N 3.09Å; G5-F8 PolarHBondContact O-N 2.82Å; F6-F8 VanDerWaalsContact C-N 3.34Å; F6-F8 PolarHBondContact O-N 2.82Å; F8-L12 HydrophobicContact CD1-CD1 4.14Å; F8-L12 WeakPolarHBondContact O-CG 3.37Å; F8-L12 PolarHBondContact O-N 2.98Å; F8-L12 VanDerWaalsContact O-N 3.11Å |
| 9 | I | 53.1 | Low | 43.1 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 56% | 0.559 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -72 | -35.6 | 176.1 | -69.1 | 167.2 | 0 | 0 | 0 | 111.3 | G5 F6 L7 L12 L13 | G5-I9 WeakPolarHBondContact O-CG1 3.23Å; G5-I9 PolarHBondContact O-N 2.91Å; G5-I9 VanDerWaalsContact O-N 3.08Å; F6-I9 PolarHBondContact O-N 2.97Å; L7-I9 VanDerWaalsContact C-N 3.33Å; L7-I9 PolarHBondContact O-N 3.26Å; I9-L12 PolarHBondContact O-N 3.38Å; I9-L13 HydrophobicContact CG2-CD1 4.45Å; I9-L13 WeakPolarHBondContact O-CG 3.46Å; I9-L13 PolarHBondContact O-N 2.9Å |
| 10 | I | 55.8 | Low | 42.4 | Very low | 88 Ų | 88 | 136.1 Ų | 136.1 | 45% | 0.451 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -66.7 | -42.1 | 174.3 | -69.3 | 168 | 0 | 0 | 0 | 110.9 | F6 L7 L12 L13 | F6-I10 HydrophobicContact CD1-CD1 3.92Å; F6-I10 HydrophobicContact CE1-CD1 4.28Å; F6-I10 WeakPolarHBondContact O-CG1 3.23Å; F6-I10 PolarHBondContact O-N 3.1Å; F6-I10 VanDerWaalsContact O-N 3.11Å; L7-I10 PolarHBondContact O-N 3.21Å; I10-L12 PolarHBondContact O-N 2.78Å; I10-L13 PolarHBondContact O-N 3.09Å |
| 11 | L | 47.8 | Very low | 42.1 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 63% | 0.634 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -62.4 | -40 | 175.8 | -76 | 163.3 | 0 | 0 | 0 | 112.6 | L7 L13 F14 | L7-L11 WeakPolarHBondContact O-CG 3.35Å; L7-L11 PolarHBondContact O-N 3.03Å; L11-L13 PolarHBondContact O-N 3.34Å; L11-F14 PolarHBondContact O-N 3.23Å |
| 12 | L | 44.1 | Very low | 42.4 | Very low | 130 Ų | 130 | 129.8 Ų | 129.8 | 68% | 0.681 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -4.9 | 178.8 | -72.5 | 169.8 | 0 | 0 | 0 | 114.8 | F8 I9 I10 | F8-L12 HydrophobicContact CD1-CD1 4.14Å; F8-L12 WeakPolarHBondContact O-CG 3.37Å; F8-L12 PolarHBondContact O-N 2.98Å; F8-L12 VanDerWaalsContact O-N 3.11Å; I9-L12 PolarHBondContact O-N 3.38Å; I10-L12 PolarHBondContact O-N 2.78Å |
| 13 | L | 39.8 | Very low | 43 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 70% | 0.702 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -7.1 | 176.2 | -77.5 | 167.5 | 0 | 0 | 0 | 114.1 | I9 I10 L11 | I9-L13 HydrophobicContact CG2-CD1 4.45Å; I9-L13 WeakPolarHBondContact O-CG 3.46Å; I9-L13 PolarHBondContact O-N 2.9Å; I10-L13 PolarHBondContact O-N 3.09Å; L11-L13 PolarHBondContact O-N 3.34Å |
| 14 | F | 40.7 | Very low | 44 | Very low | 174 Ų | 174 | 124.9 Ų | 124.9 | 76% | 0.763 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -97.9 | -20.5 | -177.5 | -88.2 | -84.7 | 0 | 0 | 0 | 115.2 | L11 K16 | L11-F14 PolarHBondContact O-N 3.23Å; F14-K16 VanDerWaalsContact C-N 3.31Å; F14-K16 PolarHBondContact O-N 3.01Å |
| 15 | D | 32.1 | Very low | 44.6 | Very low | 160 Ų | 160 | 122.2 Ų | 122.2 | 86% | 0.856 | 65% | 0.65 | S | S | * | * | trans | -90.4 | 56.6 | -166.6 | -137.7 | -1.5 | 0 | 0 | 0 | 113.2 | ||||
| 16 | K | 28.7 | Very low | 45.6 | Very low | 201 Ų | 201 | 120.6 Ų | 120.6 | 87% | 0.874 | 63% | 0.633 | S | S | * | * | trans | -132.2 | 53 | -174.7 | -154.9 | -174.3 | -175.7 | -177.8 | 0 | 114.3 | F14 | F14-K16 VanDerWaalsContact C-N 3.31Å; F14-K16 PolarHBondContact O-N 3.01Å | ||
| 17 | S | 29.5 | Very low | 46.7 | Very low | 98 Ų | 98 | 118.7 Ų | 118.7 | 69% | 0.685 | 63% | 0.625 | S | S | * | * | trans | -154.9 | 168.3 | 167.9 | 68.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 18 | I | 31.2 | Very low | 48 | Very low | 161 Ų | 161 | 113.9 Ų | 113.9 | 83% | 0.826 | 60% | 0.6 | S | S | * | * | trans | 73.2 | 84.1 | 169.7 | -46.1 | 164.4 | 0 | 0 | 0 | 116.5 | ||||
| 19 | S | 29.8 | Very low | 49.4 | Very low | 112 Ų | 112 | 111.5 Ų | 111.5 | 78% | 0.783 | 59% | 0.591 | S | S | * | * | -153.4 | 125 | 118.6 | 56.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 20 | K | 28.6 | Very low | 50.7 | Low | 213 Ų | 213 | 106.3 Ų | 106.3 | 93% | 0.926 | 56% | 0.564 | S | S | * | * | trans | -103.8 | 125.4 | 177.1 | -67.3 | 175.3 | 178.7 | 174.8 | 0 | 109.3 | ||||
| 21 | T | 36.7 | Very low | 51.8 | Low | 123 Ų | 123 | 106.3 Ų | 106.3 | 76% | 0.755 | 56% | 0.561 | S | S | * | * | trans | -140.2 | 118.4 | 173.6 | 46.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 22 | S | 42.8 | Very low | 53.1 | Low | 70 Ų | 70 | 104.9 Ų | 104.9 | 49% | 0.49 | 55% | 0.551 | S | S | . | * | trans | 36.6 | 112.7 | 163 | 58.8 | 0 | 0 | 0 | 0 | 119.4 | N24 V25 | S22-N24 PolarHBondContact O-N 2.81Å; S22-V25 WeakPolarHBondContact OG-CG2 3.31Å | ||
| 23 | P | 50.1 | Low | 54.1 | Low | 120 Ų | 120 | 103.2 Ų | 103.2 | 78% | 0.779 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | 6.6 | -177.3 | 31.7 | -37.4 | 0 | 0 | 0 | 116.2 | ||
| 24 | N | 62.7 | Low | 55.5 | Low | 78 Ų | 78 | 100 Ų | 100 | 42% | 0.417 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 6.9 | -171.6 | -65.2 | 8.6 | 0 | 0 | 0 | 114 | S22 T46 I47 | S22-N24 PolarHBondContact O-N 2.81Å; N24-T46 PolarHBondContact O-N 2.87Å; N24-T46 PolarHBondContact O-OG1 2.89Å; N24-I47 PolarHBondContact O-N 3.44Å |
| 25 | V | 67.5 | Low | 56.8 | Low | 47 Ų | 47 | 94.5 Ų | 94.5 | 29% | 0.285 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.2 | -174 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | S22 I47 E49 | S22-V25 WeakPolarHBondContact OG-CG2 3.31Å; V25-I47 HydrophobicContact CG1-CB 4.29Å; V25-I47 HydrophobicContact CG1-CG2 4.22Å; V25-I47 HydrophobicContact CG2-CB 4.3Å; V25-E49 HydrophobicContact CG1-CB 4.39Å |
| 26 | S | 72.4 | Confident | 58.2 | Low | 3 Ų | 3 | 90.6 Ų | 90.6 | 2% | 0.021 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 121.6 | 169.6 | -0.2 | 0 | 0 | 0 | 0 | 109.4 | N45 I47 E49 | S26-N45 WeakPolarHBondContact CB-ND2 3.42Å; S26-N45 WeakPolarHBondContact OG-CB 3.48Å; S26-N45 PolarHBondContact OG-ND2 2.84Å; S26-I47 PolarHBondContact N-O 3.14Å; S26-I47 PolarHBondContact OG-O 2.84Å; S26-I47 VanDerWaalsContact OG-O 3.07Å; S26-E49 PolarHBondContact O-N 2.69Å |
| 27 | F | 79.5 | Confident | 59.6 | Low | 106 Ų | 106 | 86.3 Ų | 86.3 | 47% | 0.465 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131 | 177 | 178.7 | -93.3 | 0 | 0 | 0 | 111.4 | E29 Y39 E49 S51 | F27-E29 HydrophobicContact CE1-CB 4.2Å; F27-E29 HydrophobicContact CZ-CB 4.41Å; F27-Y39 VanDerWaalsContact C-OH 3.29Å; F27-Y39 PolarHBondContact N-OH 3.48Å; F27-Y39 PolarHBondContact O-OH 2.79Å; F27-E49 WeakPolarHBondContact CA-O 3.4Å; F27-E49 HydrophobicContact CD2-CB 4.29Å; F27-E49 HydrophobicContact CD2-CG 4.06Å; F27-E49 HydrophobicContact CE2-CG 4.47Å; F27-S51 WeakPolarHBondContact CE2-OG 3.44Å; F27-S51 WeakPolarHBondContact CZ-OG 3.31Å |
| 28 | C | 81.2 | Confident | 61.3 | Low | 9 Ų | 9 | 86.4 Ų | 86.4 | 6% | 0.061 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 122.6 | 175.6 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | Y39 E49 L50 S51 | C28-Y39 HydrophobicContact CB-CD2 3.88Å; C28-Y39 HydrophobicContact CB-CE2 3.55Å; C28-Y39 HydrophobicContact CB-CG 4.48Å; C28-E49 PolarHBondContact N-O 2.94Å; C28-L50 HydrophobicContact CB-CD2 3.77Å; C28-L50 CarbonylContact O-C 3.54Å; C28-L50 VanDerWaalsContact O-CA 3.32Å; C28-L50 WeakPolarHBondContact O-CA 3.49Å; C28-S51 PolarHBondContact O-N 3.13Å; C28-S51 PolarHBondContact O-OG 2.83Å |
| 29 | E | 82.4 | Confident | 63.2 | Low | 84 Ų | 84 | 81.6 Ų | 81.6 | 39% | 0.393 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.5 | 172.6 | -174.2 | 175.9 | -178.7 | 0 | 0 | 111 | F27 S51 S53 | F27-E29 HydrophobicContact CE1-CB 4.2Å; F27-E29 HydrophobicContact CZ-CB 4.41Å; E29-S51 VanDerWaalsContact CA-OG 3.3Å; E29-S51 WeakPolarHBondContact CA-OG 3.06Å; E29-S51 WeakPolarHBondContact CB-OG 3.48Å; E29-S53 WeakPolarHBondContact OE1-CB 3.06Å; E29-S53 PolarHBondContact OE1-OG 2.92Å |
| 30 | L | 81.7 | Confident | 65.1 | Low | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 123.8 | 166.5 | -64.5 | 172.5 | 0 | 0 | 0 | 108.8 | S51 F54 W58 C106 S165 V166 | L30-S51 WeakPolarHBondContact CB-O 3.29Å; L30-S51 PolarHBondContact N-O 3.28Å; L30-F54 HydrophobicContact CB-CE1 4.42Å; L30-F54 WeakPolarHBondContact O-CE1 3.35Å; L30-W58 HydrophobicContact CD1-CH2 3.67Å; L30-W58 HydrophobicContact CD1-CZ3 3.55Å; L30-C106 HydrophobicContact CD1-CB 3.76Å; L30-S165 VanDerWaalsContact CD2-C 3.48Å; L30-V166 HydrophobicContact CD2-CB 3.81Å; L30-V166 HydrophobicContact CD2-CG1 3.91Å |
| 31 | K | 79.2 | Confident | 67.2 | Low | 88 Ų | 88 | 68.6 Ų | 68.6 | 38% | 0.383 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -100.3 | 161.6 | 169.8 | -46.8 | -164.3 | -146.9 | 76.5 | 0 | 112.2 | N33 E34 | K31-N33 PolarHBondContact O-N 2.84Å; K31-E34 HydrophobicContact CB-CB 4.11Å; K31-E34 HydrophobicContact CB-CG 4Å; K31-E34 WeakPolarHBondContact CB-OE2 3.27Å; K31-E34 WeakPolarHBondContact CG-OE2 3.42Å; K31-E34 IonicContact NZ-OE1 3.95Å; K31-E34 PolarHBondContact NZ-OE1 2.85Å; K31-E34 IonicContact NZ-OE2 2.7Å; K31-E34 PolarHBondContact NZ-OE2 2.81Å; K31-E34 PolarHBondContact O-N 2.77Å |
| 32 | Q | 73.6 | Confident | 68.7 | Low | 91 Ų | 91 | 68.5 Ų | 68.5 | 43% | 0.425 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 119.6 | -176.7 | -158.8 | 177.4 | 20.1 | 0 | 0 | 111.1 | E34 F54 Y162 | Q32-E34 PolarHBondContact O-N 2.88Å; Q32-F54 HydrophobicContact CB-CB 4.16Å; Q32-F54 HydrophobicContact CB-CD1 3.83Å; Q32-F54 HydrophobicContact CB-CD2 4.22Å; Q32-F54 HydrophobicContact CB-CE1 4.38Å; Q32-F54 HydrophobicContact CB-CG 3.76Å; Q32-F54 HydrophobicContact CG-CB 4.11Å; Q32-F54 HydrophobicContact CG-CD1 4.38Å; Q32-F54 HydrophobicContact CG-CD2 3.87Å; Q32-F54 HydrophobicContact CG-CG 3.82Å; Q32-Y162 HydrophobicContact CG-CD1 4.05Å; Q32-Y162 HydrophobicContact CG-CG 4.12Å; Q32-Y162 VanDerWaalsContact NE2-CB 3.31Å |
| 33 | N | 66 | Low | 69.7 | Low | 95 Ų | 95 | 69.4 Ų | 69.4 | 51% | 0.508 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 11.2 | -172.5 | -45.3 | -39.9 | 0 | 0 | 0 | 115.5 | K31 H35 C163 | K31-N33 PolarHBondContact O-N 2.84Å; N33-H35 PolarHBondContact O-CD2 2.77Å; N33-C163 WeakPolarHBondContact CA-O 3.48Å; N33-C163 PolarHBondContact N-O 2.81Å |
| 34 | E | 68.5 | Low | 70.5 | Confident | 66 Ų | 66 | 69.8 Ų | 69.8 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | trans | -89.5 | 119.4 | 169.6 | -75.3 | -174 | -178.8 | 0 | 0 | 110.6 | K31 Q32 H36 G164 S165 | K31-E34 HydrophobicContact CB-CB 4.11Å; K31-E34 HydrophobicContact CB-CG 4Å; K31-E34 WeakPolarHBondContact CB-OE2 3.27Å; K31-E34 WeakPolarHBondContact CG-OE2 3.42Å; K31-E34 IonicContact NZ-OE1 3.95Å; K31-E34 PolarHBondContact NZ-OE1 2.85Å; K31-E34 IonicContact NZ-OE2 2.7Å; K31-E34 PolarHBondContact NZ-OE2 2.81Å; K31-E34 PolarHBondContact O-N 2.77Å; Q32-E34 PolarHBondContact O-N 2.88Å; E34-H36 IonicContact OE2-CE1 2.78Å; E34-H36 IonicContact OE2-NE2 3.61Å; E34-H36 PolarHBondContact OE2-NE2 3.17Å; E34-G164 VanDerWaalsContact O-CA 3.24Å; E34-G164 WeakPolarHBondContact O-CA 3.42Å; E34-S165 PolarHBondContact O-N 2.92Å | ||
| 35 | H | 67.9 | Low | 70.9 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 81 | 178 | -63.4 | -85.3 | 0 | 0 | 0 | 108.9 | N33 H37 W133 S165 | N33-H35 PolarHBondContact O-CD2 2.77Å; H35-H37 PolarHBondContact O-N 2.85Å; H35-W133 HydrophobicContact CB-CH2 3.55Å; H35-W133 HydrophobicContact CB-CZ2 4.13Å; H35-W133 HydrophobicContact CB-CZ3 4.08Å; H35-W133 AromaticContact CD2-CH2 3.72Å; H35-W133 AromaticContact CG-CH2 3.37Å; H35-W133 AromaticContact CG-CZ3 3.74Å; H35-W133 AromaticContact ND1-CH2 3.71Å; H35-W133 AromaticContact ND1-CZ3 3.56Å; H35-S165 CarbonylContact C-O 3.56Å; H35-S165 WeakPolarHBondContact CA-O 3.21Å; H35-S165 PolarHBondContact ND1-OG 2.88Å |
| 36 | H | 61.8 | Low | 71.3 | Confident | 79 Ų | 79 | 66.1 Ų | 66.1 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 115.1 | 179.9 | -78.2 | -54.6 | 0 | 0 | 0 | 111 | E34 Q38 S165 V166 F167 | E34-H36 IonicContact OE2-CE1 2.78Å; E34-H36 IonicContact OE2-NE2 3.61Å; E34-H36 PolarHBondContact OE2-NE2 3.17Å; H36-Q38 PolarHBondContact O-N 3.45Å; H36-S165 PolarHBondContact N-O 3.44Å; H36-V166 HydrophobicContact CB-CB 4.49Å; H36-V166 HydrophobicContact CB-CG2 4.23Å; H36-V166 WeakPolarHBondContact O-CA 3.49Å; H36-F167 PolarHBondContact O-N 2.9Å |
| 37 | H | 58.6 | Low | 71.7 | Confident | 111 Ų | 111 | 68.8 Ų | 68.8 | 51% | 0.514 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | -16 | -176.5 | -66.2 | -38.3 | 0 | 0 | 0 | 114.5 | H35 W133 | H35-H37 PolarHBondContact O-N 2.85Å; H37-W133 AromaticContact CE1-NE1 3.85Å |
| 38 | Q | 65.8 | Low | 71.9 | Confident | 100 Ų | 100 | 63.8 Ų | 63.8 | 47% | 0.467 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 129.4 | -164 | -67.2 | -167.8 | -19.5 | 0 | 0 | 112.1 | H36 S197 | H36-Q38 PolarHBondContact O-N 3.45Å; Q38-S197 PolarHBondContact NE2-O 3.27Å |
| 39 | Y | 71.3 | Confident | 72.2 | Confident | 59 Ų | 59 | 65 Ų | 65 | 23% | 0.231 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 119.3 | 161.7 | -171.9 | -80.3 | 0 | 0 | 0 | 109.7 | F27 C28 I41 V166 F167 L168 H169 | F27-Y39 VanDerWaalsContact C-OH 3.29Å; F27-Y39 PolarHBondContact N-OH 3.48Å; F27-Y39 PolarHBondContact O-OH 2.79Å; C28-Y39 HydrophobicContact CB-CD2 3.88Å; C28-Y39 HydrophobicContact CB-CE2 3.55Å; C28-Y39 HydrophobicContact CB-CG 4.48Å; Y39-I41 HydrophobicContact CD1-CG1 4.15Å; Y39-I41 HydrophobicContact CE1-CG1 4.2Å; Y39-V166 HydrophobicContact CG-CG2 4.45Å; Y39-F167 PolarHBondContact N-O 2.81Å; Y39-F167 VanDerWaalsContact N-O 3.1Å; Y39-L168 HydrophobicContact CD1-CD2 3.96Å; Y39-L168 HydrophobicContact CG-CD2 4.26Å; Y39-H169 PolarHBondContact O-N 2.81Å |
| 40 | D | 68.8 | Low | 72.5 | Confident | 49 Ų | 49 | 61 Ų | 61 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 127.1 | 179.7 | -79.5 | -48.2 | 0 | 0 | 0 | 111.5 | H169 N196 S197 | D40-H169 WeakPolarHBondContact OD1-CB 3.22Å; D40-H169 IonicContact OD1-CG 3.7Å; D40-N196 VanDerWaalsContact OD1-CA 3.26Å; D40-N196 WeakPolarHBondContact OD1-CA 3.48Å; D40-N196 WeakPolarHBondContact OD1-CB 3.27Å; D40-S197 VanDerWaalsContact CG-OG 3.3Å; D40-S197 PolarHBondContact OD1-N 2.87Å; D40-S197 VanDerWaalsContact OD2-CB 3.3Å; D40-S197 WeakPolarHBondContact OD2-CB 3.44Å; D40-S197 PolarHBondContact OD2-N 2.79Å; D40-S197 VanDerWaalsContact OD2-N 3.16Å; D40-S197 PolarHBondContact OD2-OG 3.47Å |
| 41 | I | 72 | Confident | 72.7 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -94.3 | 122.1 | 176.6 | -65.5 | 159.7 | 0 | 0 | 0 | 109.6 | Y39 N45 I48 L88 L168 H169 M170 N171 | Y39-I41 HydrophobicContact CD1-CG1 4.15Å; Y39-I41 HydrophobicContact CE1-CG1 4.2Å; I41-N45 HydrophobicContact CG2-CB 4.17Å; I41-I48 HydrophobicContact CD1-CD1 3.54Å; I41-I48 HydrophobicContact CD1-CG1 3.93Å; I41-L88 HydrophobicContact CG2-CD1 4.09Å; I41-L168 HydrophobicContact CD1-CB 3.87Å; I41-L168 HydrophobicContact CD1-CD1 4.02Å; I41-L168 HydrophobicContact CD1-CD2 4.37Å; I41-L168 HydrophobicContact CD1-CG 4.3Å; I41-H169 PolarHBondContact N-O 2.95Å; I41-M170 HydrophobicContact CB-SD 4.38Å; I41-M170 HydrophobicContact CD1-SD 3.47Å; I41-M170 WeakPolarHBondContact CD1-SD 3.36Å; I41-N171 PolarHBondContact O-ND2 2.72Å |
| 42 | L | 68.4 | Low | 73 | Confident | 121 Ų | 121 | 57.5 Ų | 57.5 | 63% | 0.634 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 142.3 | 175.3 | -68.6 | 173.5 | 0 | 0 | 0 | 111 | N44 N45 | L42-N44 PolarHBondContact O-N 2.85Å; L42-N45 WeakPolarHBondContact O-CB 3.38Å; L42-N45 PolarHBondContact O-N 2.03Å |
| 43 | I | 63.5 | Low | 73.5 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 46% | 0.456 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -36.3 | -175.2 | -60.5 | 171.8 | 0 | 0 | 0 | 111.6 | N45 N92 R97 | I43-N45 VanDerWaalsContact C-N 3.26Å; I43-N45 PolarHBondContact O-N 2.81Å; I43-N92 VanDerWaalsContact CG2-ND2 3.28Å; I43-N92 WeakPolarHBondContact CG2-ND2 3.42Å; I43-R97 PolarHBondContact O-NH2 2.87Å |
| 44 | N | 67.9 | Low | 74.2 | Confident | 128 Ų | 128 | 51.4 Ų | 51.4 | 68% | 0.684 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -13 | -177.5 | -62.2 | 5.6 | 0 | 0 | 0 | 113.8 | L42 T46 | L42-N44 PolarHBondContact O-N 2.85Å; N44-T46 PolarHBondContact O-N 3.12Å |
| 45 | N | 71.4 | Confident | 74.6 | Confident | 13 Ų | 13 | 48.3 Ų | 48.3 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | trans | -71.8 | 130.2 | -175.2 | -64.1 | 2.1 | 0 | 0 | 0 | 110 | S26 I41 L42 I43 R97 | S26-N45 WeakPolarHBondContact CB-ND2 3.42Å; S26-N45 WeakPolarHBondContact OG-CB 3.48Å; S26-N45 PolarHBondContact OG-ND2 2.84Å; I41-N45 HydrophobicContact CG2-CB 4.17Å; L42-N45 WeakPolarHBondContact O-CB 3.38Å; L42-N45 PolarHBondContact O-N 2.03Å; I43-N45 VanDerWaalsContact C-N 3.26Å; I43-N45 PolarHBondContact O-N 2.81Å; N45-R97 PolarHBondContact O-NH1 2.9Å; N45-R97 PolarHBondContact O-NH2 2.92Å | ||
| 46 | T | 74.5 | Confident | 75.2 | Confident | 35 Ų | 35 | 46.3 Ų | 46.3 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | trans | -102.6 | -13.5 | 177.8 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | N24 N44 L88 | N24-T46 PolarHBondContact O-N 2.87Å; N24-T46 PolarHBondContact O-OG1 2.89Å; N44-T46 PolarHBondContact O-N 3.12Å; T46-L88 PolarHBondContact O-N 3.32Å | ||
| 47 | I | 81.7 | Confident | 76.2 | Confident | 59 Ų | 59 | 42.7 Ų | 42.7 | 30% | 0.303 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 138.9 | 178.6 | -58.6 | 177 | 0 | 0 | 0 | 109.4 | N24 V25 S26 L85 I86 | N24-I47 PolarHBondContact O-N 3.44Å; V25-I47 HydrophobicContact CG1-CB 4.29Å; V25-I47 HydrophobicContact CG1-CG2 4.22Å; V25-I47 HydrophobicContact CG2-CB 4.3Å; S26-I47 PolarHBondContact N-O 3.14Å; S26-I47 PolarHBondContact OG-O 2.84Å; S26-I47 VanDerWaalsContact OG-O 3.07Å; I47-L85 HydrophobicContact CG2-CD2 3.76Å; I47-I86 WeakPolarHBondContact CA-O 3.43Å |
| 48 | I | 83.7 | Confident | 77.5 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128.8 | 163.3 | -47.6 | 160.6 | 0 | 0 | 0 | 106.9 | I41 L50 L85 I86 L88 L168 | I41-I48 HydrophobicContact CD1-CD1 3.54Å; I41-I48 HydrophobicContact CD1-CG1 3.93Å; I48-L50 HydrophobicContact CG2-CD2 3.66Å; I48-L50 HydrophobicContact CG2-CG 4.13Å; I48-L85 WeakPolarHBondContact O-CA 3.32Å; I48-I86 HydrophobicContact CB-CB 4.17Å; I48-I86 HydrophobicContact CD1-CB 4.16Å; I48-I86 HydrophobicContact CD1-CD1 4.17Å; I48-I86 HydrophobicContact CD1-CG2 4.34Å; I48-I86 PolarHBondContact N-O 3.07Å; I48-I86 PolarHBondContact O-N 2.85Å; I48-L88 HydrophobicContact CD1-CD1 4Å; I48-L88 HydrophobicContact CD1-CD2 3.98Å; I48-L88 HydrophobicContact CD1-CG 4.12Å; I48-L88 HydrophobicContact CG1-CD1 3.84Å; I48-L88 HydrophobicContact CG1-CG 4.18Å; I48-L168 HydrophobicContact CD1-CD1 4.13Å; I48-L168 HydrophobicContact CG2-CD1 4.17Å |
| 49 | E | 87.6 | Confident | 78.4 | Confident | 34 Ų | 34 | 34 Ų | 34 | 16% | 0.159 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 109 | 169.4 | -174.2 | -180 | 148.9 | 0 | 0 | 108.4 | V25 S26 F27 C28 K83 L84 L85 | V25-E49 HydrophobicContact CG1-CB 4.39Å; S26-E49 PolarHBondContact O-N 2.69Å; F27-E49 WeakPolarHBondContact CA-O 3.4Å; F27-E49 HydrophobicContact CD2-CB 4.29Å; F27-E49 HydrophobicContact CD2-CG 4.06Å; F27-E49 HydrophobicContact CE2-CG 4.47Å; C28-E49 PolarHBondContact N-O 2.94Å; E49-K83 VanDerWaalsContact OE1-CD 3.31Å; E49-K83 WeakPolarHBondContact OE1-CD 3.45Å; E49-K83 VanDerWaalsContact OE1-CE 3.26Å; E49-K83 WeakPolarHBondContact OE1-CE 3.35Å; E49-K83 IonicContact OE1-NZ 3.67Å; E49-K83 PolarHBondContact OE1-NZ 3.48Å; E49-L84 WeakPolarHBondContact CA-O 3.31Å; E49-L85 HydrophobicContact CB-CD2 3.77Å; E49-L85 HydrophobicContact CG-CD2 3.85Å |
| 50 | L | 87.7 | Confident | 79 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 115.5 | 168.9 | -49.2 | -177.2 | 0 | 0 | 0 | 108 | C28 I48 W58 K83 L84 Y104 V166 L168 | C28-L50 HydrophobicContact CB-CD2 3.77Å; C28-L50 CarbonylContact O-C 3.54Å; C28-L50 VanDerWaalsContact O-CA 3.32Å; C28-L50 WeakPolarHBondContact O-CA 3.49Å; I48-L50 HydrophobicContact CG2-CD2 3.66Å; I48-L50 HydrophobicContact CG2-CG 4.13Å; L50-W58 HydrophobicContact CB-CH2 3.53Å; L50-W58 HydrophobicContact CB-CZ3 3.73Å; L50-W58 HydrophobicContact CD1-CZ3 3.92Å; L50-W58 HydrophobicContact CG-CZ3 4.49Å; L50-W58 VanDerWaalsContact O-CH2 3.28Å; L50-W58 WeakPolarHBondContact O-CH2 3.47Å; L50-W58 WeakPolarHBondContact O-CZ2 3.13Å; L50-K83 CarbonylContact O-C 3.58Å; L50-K83 VanDerWaalsContact O-CA 3.28Å; L50-K83 WeakPolarHBondContact O-CA 3.37Å; L50-L84 HydrophobicContact CB-CB 4.25Å; L50-L84 HydrophobicContact CD1-CD2 4.2Å; L50-L84 PolarHBondContact N-O 3.38Å; L50-L84 PolarHBondContact O-N 3.25Å; L50-Y104 HydrophobicContact CD1-CD1 3.96Å; L50-Y104 HydrophobicContact CD1-CG 3.9Å; L50-V166 HydrophobicContact CD1-CG1 4.19Å; L50-V166 HydrophobicContact CD2-CG1 4.25Å; L50-L168 HydrophobicContact CD1-CD1 4.31Å; L50-L168 HydrophobicContact CD2-CD1 4.29Å; L50-L168 HydrophobicContact CD2-CD2 4.24Å |
| 51 | S | 87.2 | Confident | 79.4 | Confident | 13 Ų | 13 | 29.2 Ų | 29.2 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 148.8 | 173.5 | 56.8 | 0 | 0 | 0 | 0 | 111 | F27 C28 E29 L30 | F27-S51 WeakPolarHBondContact CE2-OG 3.44Å; F27-S51 WeakPolarHBondContact CZ-OG 3.31Å; C28-S51 PolarHBondContact O-N 3.13Å; C28-S51 PolarHBondContact O-OG 2.83Å; E29-S51 VanDerWaalsContact CA-OG 3.3Å; E29-S51 WeakPolarHBondContact CA-OG 3.06Å; E29-S51 WeakPolarHBondContact CB-OG 3.48Å; L30-S51 WeakPolarHBondContact CB-O 3.29Å; L30-S51 PolarHBondContact N-O 3.28Å |
| 52 | C | 86 | Confident | 79.6 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 107.7 | -179.5 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | F54 W58 Q81 S82 C106 | C52-F54 VanDerWaalsContact C-N 3.31Å; C52-F54 PolarHBondContact O-N 3.02Å; C52-F54 VanDerWaalsContact SG-CE1 3.59Å; C52-F54 VanDerWaalsContact SG-CZ 3.56Å; C52-W58 HydrophobicContact CB-CH2 3.92Å; C52-W58 HydrophobicContact CB-CZ2 3.5Å; C52-W58 VanDerWaalsContact CB-CZ2 3.5Å; C52-Q81 WeakPolarHBondContact O-CA 3.31Å; C52-S82 PolarHBondContact N-O 2.8Å; C52-S82 PolarHBondContact O-N 2.87Å; C52-C106 HydrophobicContact CB-CB 3.67Å; C52-C106 WeakPolarHBondContact CB-SG 3.46Å; C52-C106 WeakPolarHBondContact SG-CB 3.36Å; C52-C106 CovalentContact SG-SG 2.03Å; C52-C106 PolarHBondContact SG-SG 3.22Å |
| 53 | S | 82.5 | Confident | 79.8 | Confident | 44 Ų | 44 | 28 Ų | 28 | 31% | 0.308 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -85.3 | 4.3 | -169.5 | 39.9 | 0 | 0 | 0 | 0 | 115 | E29 | E29-S53 WeakPolarHBondContact OE1-CB 3.06Å; E29-S53 PolarHBondContact OE1-OG 2.92Å |
| 54 | F | 81.5 | Confident | 80.5 | Confident | 14 Ų | 14 | 24 Ų | 24 | 6% | 0.061 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -142.3 | -2.5 | -172.1 | 65.4 | -87.1 | 0 | 0 | 0 | 114.9 | L30 Q32 C52 N80 C106 | L30-F54 HydrophobicContact CB-CE1 4.42Å; L30-F54 WeakPolarHBondContact O-CE1 3.35Å; Q32-F54 HydrophobicContact CB-CB 4.16Å; Q32-F54 HydrophobicContact CB-CD1 3.83Å; Q32-F54 HydrophobicContact CB-CD2 4.22Å; Q32-F54 HydrophobicContact CB-CE1 4.38Å; Q32-F54 HydrophobicContact CB-CG 3.76Å; Q32-F54 HydrophobicContact CG-CB 4.11Å; Q32-F54 HydrophobicContact CG-CD1 4.38Å; Q32-F54 HydrophobicContact CG-CD2 3.87Å; Q32-F54 HydrophobicContact CG-CG 3.82Å; C52-F54 VanDerWaalsContact C-N 3.31Å; C52-F54 PolarHBondContact O-N 3.02Å; C52-F54 VanDerWaalsContact SG-CE1 3.59Å; C52-F54 VanDerWaalsContact SG-CZ 3.56Å; F54-N80 CarbonylContact C-O 3.48Å; F54-N80 WeakPolarHBondContact CA-O 3.39Å; F54-N80 PolarHBondContact N-O 3.42Å; F54-C106 HydrophobicContact CZ-CB 4.46Å |
| 55 | G | 77.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | trans | -149.7 | 164.3 | -169 | 0 | 0 | 0 | 0 | 0 | 114.6 | N80 S82 C107 | G55-N80 PolarHBondContact N-O 3.2Å; G55-S82 PolarHBondContact O-OG 2.85Å; G55-C107 WeakPolarHBondContact CA-O 3.07Å | ||
| 56 | N | 80.3 | Confident | 80.6 | Confident | 18 Ų | 18 | 25.9 Ų | 25.9 | 10% | 0.096 | 15% | 0.148 | C | C | . | . | trans | -144.6 | -4.9 | -169.9 | 65.4 | -14.8 | 0 | 0 | 0 | 114.9 | M74 C107 S109 | N56-M74 HydrophobicContact CB-CE 3.92Å; N56-M74 HydrophobicContact CB-SD 4.19Å; N56-C107 PolarHBondContact N-O 3.04Å; N56-S109 WeakPolarHBondContact OD1-CB 3.35Å; N56-S109 PolarHBondContact OD1-N 3.16Å; N56-S109 VanDerWaalsContact OD1-N 3.14Å | ||
| 57 | E | 82.1 | Confident | 80.4 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 121.9 | 166 | -67.4 | -170.6 | -176.8 | 0 | 0 | 109.7 | Y59 C106 C107 S109 I117 K155 | E57-Y59 HydrophobicContact CB-CE2 4.23Å; E57-C106 CarbonylContact O-C 3.55Å; E57-C106 WeakPolarHBondContact O-CA 3.34Å; E57-C107 PolarHBondContact N-O 2.43Å; E57-C107 PolarHBondContact O-N 3.45Å; E57-S109 WeakPolarHBondContact OE1-CB 3.46Å; E57-S109 PolarHBondContact OE1-OG 3.47Å; E57-I117 HydrophobicContact CG-CB 4.32Å; E57-K155 IonicContact OE1-NZ 2.68Å; E57-K155 PolarHBondContact OE1-NZ 2.82Å; E57-K155 IonicContact OE2-NZ 3.83Å |
| 58 | W | 86.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 147.5 | -179.9 | -74.4 | 85.6 | 0 | 0 | 0 | 111.6 | L30 L50 C52 V72 S82 L84 Q105 C106 I117 N119 | L30-W58 HydrophobicContact CD1-CH2 3.67Å; L30-W58 HydrophobicContact CD1-CZ3 3.55Å; L50-W58 HydrophobicContact CB-CH2 3.53Å; L50-W58 HydrophobicContact CB-CZ3 3.73Å; L50-W58 HydrophobicContact CD1-CZ3 3.92Å; L50-W58 HydrophobicContact CG-CZ3 4.49Å; L50-W58 VanDerWaalsContact O-CH2 3.28Å; L50-W58 WeakPolarHBondContact O-CH2 3.47Å; L50-W58 WeakPolarHBondContact O-CZ2 3.13Å; C52-W58 HydrophobicContact CB-CH2 3.92Å; C52-W58 HydrophobicContact CB-CZ2 3.5Å; C52-W58 VanDerWaalsContact CB-CZ2 3.5Å; W58-V72 HydrophobicContact CG-CG2 4.26Å; W58-S82 PolarHBondContact NE1-OG 2.75Å; W58-L84 HydrophobicContact CB-CD1 4.49Å; W58-L84 HydrophobicContact CD2-CB 3.83Å; W58-L84 HydrophobicContact CD2-CD1 4.33Å; W58-L84 HydrophobicContact CD2-CD2 4.32Å; W58-L84 HydrophobicContact CD2-CG 4.4Å; W58-L84 HydrophobicContact CE3-CB 3.81Å; W58-L84 HydrophobicContact CE3-CD2 3.8Å; W58-L84 HydrophobicContact CE3-CG 4.29Å; W58-L84 HydrophobicContact CG-CD1 4.27Å; W58-L84 HydrophobicContact CH2-CB 3.84Å; W58-L84 HydrophobicContact CZ2-CB 3.87Å; W58-L84 HydrophobicContact CZ3-CB 3.81Å; W58-L84 HydrophobicContact CZ3-CD2 4.18Å; W58-Q105 CarbonylContact C-O 3.59Å; W58-Q105 WeakPolarHBondContact CA-O 3.31Å; W58-C106 HydrophobicContact CD2-CB 4.15Å; W58-C106 HydrophobicContact CE3-CB 4.07Å; W58-C106 HydrophobicContact CH2-CB 4.13Å; W58-C106 HydrophobicContact CZ2-CB 4.18Å; W58-C106 HydrophobicContact CZ3-CB 4.07Å; W58-I117 PolarHBondContact N-O 2.71Å; W58-N119 PolarHBondContact O-N 3.42Å |
| 59 | Y | 83.9 | Confident | 79.1 | Confident | 29 Ų | 29 | 39.1 Ų | 39.1 | 11% | 0.114 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 125.3 | 179.1 | -68.7 | -101.6 | 0 | 0 | 0 | 108.2 | E57 Y104 Q105 C107 N119 L121 | E57-Y59 HydrophobicContact CB-CE2 4.23Å; Y59-Y104 WeakPolarHBondContact O-CA 3.39Å; Y59-Q105 PolarHBondContact N-O 2.75Å; Y59-Q105 PolarHBondContact O-N 3.37Å; Y59-C107 HydrophobicContact CE2-CB 4.26Å; Y59-N119 CarbonylContact C-O 3.54Å; Y59-N119 WeakPolarHBondContact CA-O 3.1Å; Y59-N119 HydrophobicContact CD1-CB 3.58Å; Y59-N119 HydrophobicContact CE1-CB 3.67Å; Y59-N119 HydrophobicContact CG-CB 4.13Å; Y59-N119 VanDerWaalsContact CZ-ND2 3.32Å; Y59-N119 PolarHBondContact OH-ND2 2.99Å; Y59-L121 HydrophobicContact CD1-CD2 4.2Å |
| 60 | I | 84.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 154 | -171.8 | 63.5 | 170.9 | 0 | 0 | 0 | 112.4 | I64 P70 L84 Y104 I118 N119 W120 L121 | I60-I64 HydrophobicContact CB-CD1 4.31Å; I60-I64 HydrophobicContact CD1-CD1 4.36Å; I60-P70 HydrophobicContact CD1-CG 3.85Å; I60-L84 HydrophobicContact CG2-CD2 3.97Å; I60-Y104 HydrophobicContact CB-CD1 4.38Å; I60-Y104 HydrophobicContact CB-CE1 4.39Å; I60-Y104 HydrophobicContact CG2-CD1 3.93Å; I60-Y104 HydrophobicContact CG2-CE1 4.19Å; I60-I118 HydrophobicContact CD1-CG2 3.52Å; I60-I118 HydrophobicContact CG1-CG2 3.84Å; I60-I118 HydrophobicContact CG2-CG2 4.24Å; I60-N119 PolarHBondContact N-O 2.93Å; I60-W120 HydrophobicContact CD1-CD2 3.95Å; I60-W120 HydrophobicContact CD1-CE3 3.91Å; I60-W120 HydrophobicContact CD1-CH2 3.77Å; I60-W120 HydrophobicContact CD1-CZ2 3.75Å; I60-W120 HydrophobicContact CD1-CZ3 3.84Å; I60-W120 HydrophobicContact CG1-CD2 4.01Å; I60-W120 HydrophobicContact CG1-CE3 3.88Å; I60-W120 HydrophobicContact CG1-CZ3 4.22Å; I60-L121 WeakPolarHBondContact O-CB 3.44Å; I60-L121 PolarHBondContact O-N 2.92Å |
| 61 | P | 78 | Confident | 78.1 | Confident | 7 Ų | 7 | 43 Ų | 43 | 5% | 0.045 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 135.6 | -179.5 | -21.9 | 33.5 | 0 | 0 | 0 | 114.2 | T63 I64 L103 Y104 W120 | P61-T63 WeakPolarHBondContact CB-OG1 3.03Å; P61-T63 PolarHBondContact O-N 3.23Å; P61-T63 VanDerWaalsContact O-N 3.07Å; P61-I64 PolarHBondContact O-N 3.33Å; P61-I64 VanDerWaalsContact O-N 3.14Å; P61-L103 WeakPolarHBondContact CD-O 3.1Å; P61-L103 WeakPolarHBondContact CG-O 3.25Å; P61-Y104 HydrophobicContact CG-CD2 4.15Å; P61-Y104 HydrophobicContact CG-CE2 3.77Å; P61-W120 VanDerWaalsContact O-CZ3 3.31Å; P61-W120 WeakPolarHBondContact O-CZ3 3.41Å |
| 62 | S | 75.6 | Confident | 77.6 | Confident | 47 Ų | 47 | 43.6 Ų | 43.6 | 33% | 0.329 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 5.4 | 169.3 | 71 | 0 | 0 | 0 | 0 | 115.4 | L121 N123 | S62-L121 WeakPolarHBondContact CB-O 3.34Å; S62-L121 PolarHBondContact N-O 2.89Å; S62-L121 PolarHBondContact OG-O 3.28Å; S62-L121 VanDerWaalsContact OG-O 3.14Å; S62-N123 PolarHBondContact OG-N 3.22Å; S62-N123 VanDerWaalsContact OG-N 3.11Å; S62-N123 PolarHBondContact OG-ND2 3.07Å; S62-N123 PolarHBondContact OG-OD1 3.3Å |
| 63 | T | 73.2 | Confident | 77.4 | Confident | 51 Ų | 51 | 47.3 Ų | 47.3 | 31% | 0.313 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -25.2 | 164.9 | 40.4 | 0 | 0 | 0 | 0 | 112.9 | P61 H99 R101 | P61-T63 WeakPolarHBondContact CB-OG1 3.03Å; P61-T63 PolarHBondContact O-N 3.23Å; P61-T63 VanDerWaalsContact O-N 3.07Å; T63-H99 CarbonylContact C-O 3.53Å; T63-H99 WeakPolarHBondContact CB-O 3.16Å; T63-H99 WeakPolarHBondContact O-CB 3.39Å; T63-H99 PolarHBondContact O-CD2 2.82Å; T63-H99 PolarHBondContact OG1-O 3.48Å; T63-R101 PolarHBondContact OG1-O 2.82Å |
| 64 | I | 77.6 | Confident | 76.9 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -71.2 | 129.1 | 174 | -52.5 | 168.8 | 0 | 0 | 0 | 107.9 | I60 P61 F68 H99 F100 Y104 W120 | I60-I64 HydrophobicContact CB-CD1 4.31Å; I60-I64 HydrophobicContact CD1-CD1 4.36Å; P61-I64 PolarHBondContact O-N 3.33Å; P61-I64 VanDerWaalsContact O-N 3.14Å; I64-F68 HydrophobicContact CG2-CB 3.71Å; I64-H99 PolarHBondContact N-O 3.45Å; I64-F100 HydrophobicContact CD1-CD1 4.39Å; I64-F100 HydrophobicContact CG1-CD1 4.19Å; I64-F100 HydrophobicContact CG2-CD1 4.35Å; I64-F100 HydrophobicContact CG2-CE1 4.03Å; I64-Y104 HydrophobicContact CD1-CE1 3.96Å; I64-Y104 WeakPolarHBondContact CD1-OH 3.24Å; I64-W120 HydrophobicContact CB-CH2 3.97Å; I64-W120 HydrophobicContact CB-CZ3 3.8Å; I64-W120 HydrophobicContact CG2-CH2 4.18Å; I64-W120 VanDerWaalsContact O-CH2 3.31Å; I64-W120 WeakPolarHBondContact O-CH2 3.49Å; I64-W120 WeakPolarHBondContact O-CZ3 3.28Å |
| 65 | P | 72.3 | Confident | 76.1 | Confident | 39 Ų | 39 | 49.4 Ų | 49.4 | 25% | 0.253 | 26% | 0.257 | S | S | . | . | trans | -70.5 | 143.3 | 177.8 | 29 | -35.4 | 0 | 0 | 0 | 111.2 | N67 F68 | P65-N67 VanDerWaalsContact CB-OD1 3.29Å; P65-N67 WeakPolarHBondContact CB-OD1 3.19Å; P65-N67 VanDerWaalsContact CG-OD1 3.26Å; P65-N67 WeakPolarHBondContact CG-OD1 3.07Å; P65-N67 PolarHBondContact O-N 2.86Å; P65-N67 PolarHBondContact O-OD1 2.79Å; P65-F68 HydrophobicContact CG-CD2 4.33Å; P65-F68 WeakPolarHBondContact O-CB 3.4Å; P65-F68 PolarHBondContact O-N 2.87Å | ||
| 66 | L | 69.1 | Low | 75.3 | Confident | 143 Ų | 143 | 58.7 Ų | 58.7 | 75% | 0.749 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -12.8 | -176.3 | -76 | 162.4 | 0 | 0 | 0 | 115.3 | F68 W120 | L66-F68 VanDerWaalsContact C-N 3.34Å; L66-W120 HydrophobicContact CD2-CD2 4.48Å; L66-W120 HydrophobicContact CD2-CH2 4.37Å; L66-W120 HydrophobicContact CD2-CZ2 3.72Å |
| 67 | N | 70.8 | Confident | 74.4 | Confident | 129 Ų | 129 | 65 Ų | 65 | 69% | 0.69 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -18.1 | 173 | 61.7 | -0 | 0 | 0 | 0 | 112.9 | P65 | P65-N67 VanDerWaalsContact CB-OD1 3.29Å; P65-N67 WeakPolarHBondContact CB-OD1 3.19Å; P65-N67 VanDerWaalsContact CG-OD1 3.26Å; P65-N67 WeakPolarHBondContact CG-OD1 3.07Å; P65-N67 PolarHBondContact O-N 2.86Å; P65-N67 PolarHBondContact O-OD1 2.79Å |
| 68 | F | 71.5 | Confident | 73.3 | Confident | 62 Ų | 62 | 68.8 Ų | 68.8 | 27% | 0.272 | 35% | 0.353 | S | S | . | . | trans | -81.8 | 124.1 | 172.8 | -110 | -81.2 | 0 | 0 | 0 | 110.7 | I64 P65 L66 P70 Q87 P89 F100 | I64-F68 HydrophobicContact CG2-CB 3.71Å; P65-F68 HydrophobicContact CG-CD2 4.33Å; P65-F68 WeakPolarHBondContact O-CB 3.4Å; P65-F68 PolarHBondContact O-N 2.87Å; L66-F68 VanDerWaalsContact C-N 3.34Å; F68-P70 WeakPolarHBondContact O-CD 3.37Å; F68-Q87 WeakPolarHBondContact CE1-O 3.5Å; F68-P89 HydrophobicContact CZ-CG 4.31Å; F68-F100 AromaticContact CD1-CE1 3.85Å; F68-F100 HydrophobicContact CD1-CE1 3.85Å; F68-F100 AromaticContact CD1-CZ 3.7Å; F68-F100 HydrophobicContact CD1-CZ 3.7Å; F68-F100 HydrophobicContact CD2-CE1 4.48Å; F68-F100 AromaticContact CD2-CZ 3.75Å; F68-F100 HydrophobicContact CD2-CZ 3.75Å; F68-F100 HydrophobicContact CE1-CE1 4.2Å; F68-F100 AromaticContact CE1-CZ 3.74Å; F68-F100 HydrophobicContact CE1-CZ 3.74Å; F68-F100 HydrophobicContact CE2-CE2 4.47Å; F68-F100 AromaticContact CE2-CZ 3.77Å; F68-F100 HydrophobicContact CE2-CZ 3.77Å; F68-F100 HydrophobicContact CG-CE1 4Å; F68-F100 AromaticContact CG-CZ 3.71Å; F68-F100 HydrophobicContact CG-CZ 3.71Å; F68-F100 AromaticContact CZ-CZ 3.76Å; F68-F100 HydrophobicContact CZ-CZ 3.76Å | ||
| 69 | K | 66.6 | Low | 72.1 | Confident | 182 Ų | 182 | 74.5 Ų | 74.5 | 79% | 0.791 | 38% | 0.384 | S | S | * | . | trans | -104.5 | 91.8 | 179.4 | -64.4 | -174.4 | -179.5 | -178.5 | 0 | 110.4 | ||||
| 70 | P | 73.7 | Confident | 71.2 | Confident | 17 Ų | 17 | 77.6 Ų | 77.6 | 11% | 0.11 | 40% | 0.402 | C | S | . | . | trans | -64.5 | 142.1 | 166.8 | 26.9 | -31.3 | 0 | 0 | 0 | 109.9 | I60 F68 L84 I86 I118 | I60-P70 HydrophobicContact CD1-CG 3.85Å; F68-P70 WeakPolarHBondContact O-CD 3.37Å; P70-L84 HydrophobicContact CB-CD1 4.03Å; P70-L84 HydrophobicContact CB-CG 4.47Å; P70-I86 HydrophobicContact CB-CG1 4.27Å; P70-I118 HydrophobicContact CG-CD1 4.23Å; P70-I118 WeakPolarHBondContact O-CD1 3.37Å | ||
| 71 | I | 80 | Confident | 70.8 | Confident | 98 Ų | 98 | 80.3 Ų | 80.3 | 50% | 0.503 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125 | -171.5 | -60.1 | 171.7 | 0 | 0 | 0 | 108.5 | I73 L84 L85 | I71-I73 HydrophobicContact CG2-CG1 4.25Å; I71-L84 WeakPolarHBondContact O-CA 3.43Å; I71-L85 HydrophobicContact CB-CB 4.3Å; I71-L85 PolarHBondContact N-O 3.05Å; I71-L85 PolarHBondContact O-N 2.79Å |
| 72 | V | 77.3 | Confident | 71.2 | Confident | 26 Ų | 26 | 80.1 Ų | 80.1 | 16% | 0.158 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 119.4 | 170.1 | 177 | 0 | 0 | 0 | 0 | 109.1 | W58 M74 K83 L84 I118 | W58-V72 HydrophobicContact CG-CG2 4.26Å; V72-M74 HydrophobicContact CG1-SD 4.35Å; V72-K83 CarbonylContact C-O 3.57Å; V72-K83 WeakPolarHBondContact CA-O 3.25Å; V72-L84 HydrophobicContact CG2-CD1 3.57Å; V72-I118 HydrophobicContact CG2-CD1 3.91Å; V72-I118 HydrophobicContact CG2-CG1 3.81Å |
| 73 | I | 80.5 | Confident | 71.7 | Confident | 80 Ų | 80 | 81.9 Ų | 81.9 | 41% | 0.41 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131.6 | 168.2 | -62.2 | -175 | 0 | 0 | 0 | 108.1 | I71 S82 K83 L85 | I71-I73 HydrophobicContact CG2-CG1 4.25Å; I73-S82 CarbonylContact O-C 3.46Å; I73-S82 VanDerWaalsContact O-CA 3.31Å; I73-S82 WeakPolarHBondContact O-CA 3.3Å; I73-K83 HydrophobicContact CB-CB 4.43Å; I73-K83 PolarHBondContact N-O 2.89Å; I73-K83 PolarHBondContact O-N 3.47Å; I73-L85 HydrophobicContact CD1-CD1 3.5Å; I73-L85 VanDerWaalsContact CD1-CD1 3.5Å; I73-L85 HydrophobicContact CG1-CD1 4.2Å |
| 74 | M | 71.9 | Confident | 72.4 | Confident | 42 Ų | 42 | 79.4 Ų | 79.4 | 21% | 0.207 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 146 | 169.8 | -64.3 | -59.9 | -56.4 | 0 | 0 | 110 | N56 V72 N79 Q81 I115 | N56-M74 HydrophobicContact CB-CE 3.92Å; N56-M74 HydrophobicContact CB-SD 4.19Å; V72-M74 HydrophobicContact CG1-SD 4.35Å; M74-N79 WeakPolarHBondContact CE-O 3.43Å; M74-Q81 WeakPolarHBondContact CE-O 3.4Å; M74-I115 HydrophobicContact CG-CG2 3.71Å; M74-I115 HydrophobicContact SD-CG2 4.1Å |
| 75 | D | 66.3 | Low | 72.8 | Confident | 60 Ų | 60 | 81.1 Ų | 81.1 | 32% | 0.321 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -73 | 129.7 | 166.3 | -163.3 | -63.1 | 0 | 0 | 0 | 109.8 | I77 N78 Q81 | D75-I77 VanDerWaalsContact C-N 3.28Å; D75-I77 PolarHBondContact O-N 2.91Å; D75-I77 WeakPolarHBondContact OD1-CB 3.18Å; D75-I77 PolarHBondContact OD1-N 2.98Å; D75-N78 CarbonylContact O-C 3.56Å; D75-N78 PolarHBondContact OD1-N 2.87Å; D75-Q81 HydrophobicContact CB-CB 3.8Å; D75-Q81 PolarHBondContact N-O 3.27Å |
| 76 | Q | 60 | Low | 73.3 | Confident | 196 Ų | 196 | 79.5 Ų | 79.5 | 92% | 0.916 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -75.8 | -14.7 | -177.4 | -68 | -173.7 | -18.9 | 0 | 0 | 113.5 | ||
| 77 | I | 60.9 | Low | 74 | Confident | 150 Ų | 150 | 78.9 Ų | 78.9 | 77% | 0.769 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -93.1 | -35.2 | 178.3 | -55 | 178.2 | 0 | 0 | 0 | 110.2 | D75 | D75-I77 VanDerWaalsContact C-N 3.28Å; D75-I77 PolarHBondContact O-N 2.91Å; D75-I77 WeakPolarHBondContact OD1-CB 3.18Å; D75-I77 PolarHBondContact OD1-N 2.98Å |
| 78 | N | 59.9 | Low | 74.3 | Confident | 82 Ų | 82 | 72.9 Ų | 72.9 | 44% | 0.439 | 36% | 0.36 | S | S | . | . | trans | -127 | 101.5 | -178.6 | -73 | -51.8 | 0 | 0 | 0 | 112.3 | D75 N80 Q81 | D75-N78 CarbonylContact O-C 3.56Å; D75-N78 PolarHBondContact OD1-N 2.87Å; N78-N80 PolarHBondContact O-N 2.85Å; N78-Q81 HydrophobicContact CB-CB 4.17Å; N78-Q81 HydrophobicContact CB-CG 3.76Å; N78-Q81 PolarHBondContact ND2-OE1 2.74Å; N78-Q81 PolarHBondContact O-N 3.46Å | ||
| 79 | N | 61.1 | Low | 74.4 | Confident | 120 Ų | 120 | 71 Ų | 71 | 64% | 0.642 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -11.9 | 175.8 | -75.2 | -20.2 | 0 | 0 | 0 | 115.7 | M74 | M74-N79 WeakPolarHBondContact CE-O 3.43Š|
| 80 | N | 65 | Low | 74.4 | Confident | 93 Ų | 93 | 70.4 Ų | 70.4 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 2.2 | 176.4 | -64 | -19.8 | 0 | 0 | 0 | 113.5 | F54 G55 N78 | F54-N80 CarbonylContact C-O 3.48Å; F54-N80 WeakPolarHBondContact CA-O 3.39Å; F54-N80 PolarHBondContact N-O 3.42Å; G55-N80 PolarHBondContact N-O 3.2Å; N78-N80 PolarHBondContact O-N 2.85Å |
| 81 | Q | 75.9 | Confident | 73.8 | Confident | 58 Ų | 58 | 74.6 Ų | 74.6 | 27% | 0.271 | 37% | 0.372 | S | S | . | . | trans | -115.2 | 132.1 | -177.1 | -62.3 | -173 | -37.7 | 0 | 0 | 110.5 | C52 M74 D75 N78 | C52-Q81 WeakPolarHBondContact O-CA 3.31Å; M74-Q81 WeakPolarHBondContact CE-O 3.4Å; D75-Q81 HydrophobicContact CB-CB 3.8Å; D75-Q81 PolarHBondContact N-O 3.27Å; N78-Q81 HydrophobicContact CB-CB 4.17Å; N78-Q81 HydrophobicContact CB-CG 3.76Å; N78-Q81 PolarHBondContact ND2-OE1 2.74Å; N78-Q81 PolarHBondContact O-N 3.46Å | ||
| 82 | S | 85.8 | Confident | 72.6 | Confident | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 158.7 | -178.5 | 69.6 | 0 | 0 | 0 | 0 | 112.8 | C52 G55 W58 I73 | C52-S82 PolarHBondContact N-O 2.8Å; C52-S82 PolarHBondContact O-N 2.87Å; G55-S82 PolarHBondContact O-OG 2.85Å; W58-S82 PolarHBondContact NE1-OG 2.75Å; I73-S82 CarbonylContact O-C 3.46Å; I73-S82 VanDerWaalsContact O-CA 3.31Å; I73-S82 WeakPolarHBondContact O-CA 3.3Å |
| 83 | K | 86.6 | Confident | 71.4 | Confident | 83 Ų | 83 | 78.6 Ų | 78.6 | 36% | 0.361 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 125.4 | -179.4 | -64 | 180 | 167.8 | -153.6 | 0 | 110.1 | E49 L50 V72 I73 | E49-K83 VanDerWaalsContact OE1-CD 3.31Å; E49-K83 WeakPolarHBondContact OE1-CD 3.45Å; E49-K83 VanDerWaalsContact OE1-CE 3.26Å; E49-K83 WeakPolarHBondContact OE1-CE 3.35Å; E49-K83 IonicContact OE1-NZ 3.67Å; E49-K83 PolarHBondContact OE1-NZ 3.48Å; L50-K83 CarbonylContact O-C 3.58Å; L50-K83 VanDerWaalsContact O-CA 3.28Å; L50-K83 WeakPolarHBondContact O-CA 3.37Å; V72-K83 CarbonylContact C-O 3.57Å; V72-K83 WeakPolarHBondContact CA-O 3.25Å; I73-K83 HydrophobicContact CB-CB 4.43Å; I73-K83 PolarHBondContact N-O 2.89Å; I73-K83 PolarHBondContact O-N 3.47Å |
| 84 | L | 86.9 | Confident | 70.1 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 113.8 | 170.6 | -168.1 | 75.2 | 0 | 0 | 0 | 109.6 | E49 L50 W58 I60 P70 I71 V72 I86 Y104 | E49-L84 WeakPolarHBondContact CA-O 3.31Å; L50-L84 HydrophobicContact CB-CB 4.25Å; L50-L84 HydrophobicContact CD1-CD2 4.2Å; L50-L84 PolarHBondContact N-O 3.38Å; L50-L84 PolarHBondContact O-N 3.25Å; W58-L84 HydrophobicContact CB-CD1 4.49Å; W58-L84 HydrophobicContact CD2-CB 3.83Å; W58-L84 HydrophobicContact CD2-CD1 4.33Å; W58-L84 HydrophobicContact CD2-CD2 4.32Å; W58-L84 HydrophobicContact CD2-CG 4.4Å; W58-L84 HydrophobicContact CE3-CB 3.81Å; W58-L84 HydrophobicContact CE3-CD2 3.8Å; W58-L84 HydrophobicContact CE3-CG 4.29Å; W58-L84 HydrophobicContact CG-CD1 4.27Å; W58-L84 HydrophobicContact CH2-CB 3.84Å; W58-L84 HydrophobicContact CZ2-CB 3.87Å; W58-L84 HydrophobicContact CZ3-CB 3.81Å; W58-L84 HydrophobicContact CZ3-CD2 4.18Å; I60-L84 HydrophobicContact CG2-CD2 3.97Å; P70-L84 HydrophobicContact CB-CD1 4.03Å; P70-L84 HydrophobicContact CB-CG 4.47Å; I71-L84 WeakPolarHBondContact O-CA 3.43Å; V72-L84 HydrophobicContact CG2-CD1 3.57Å; L84-I86 HydrophobicContact CD2-CD1 4.03Å; L84-I86 HydrophobicContact CD2-CG1 4.2Å; L84-I86 HydrophobicContact CG-CG1 4.23Å; L84-Y104 HydrophobicContact CD2-CD1 3.96Å; L84-Y104 HydrophobicContact CD2-CE1 4.42Å |
| 85 | L | 86.3 | Confident | 69.6 | Low | 41 Ų | 41 | 81.8 Ų | 81.8 | 22% | 0.215 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.5 | 171.3 | -74.1 | 171.1 | 0 | 0 | 0 | 110.5 | I47 I48 E49 I71 I73 | I47-L85 HydrophobicContact CG2-CD2 3.76Å; I48-L85 WeakPolarHBondContact O-CA 3.32Å; E49-L85 HydrophobicContact CB-CD2 3.77Å; E49-L85 HydrophobicContact CG-CD2 3.85Å; I71-L85 HydrophobicContact CB-CB 4.3Å; I71-L85 PolarHBondContact N-O 3.05Å; I71-L85 PolarHBondContact O-N 2.79Å; I73-L85 HydrophobicContact CD1-CD1 3.5Å; I73-L85 VanDerWaalsContact CD1-CD1 3.5Å; I73-L85 HydrophobicContact CG1-CD1 4.2Å |
| 86 | I | 83.7 | Confident | 69.8 | Low | 4 Ų | 4 | 82.6 Ų | 82.6 | 2% | 0.021 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 111.3 | 176.2 | -48.1 | 171.8 | 0 | 0 | 0 | 107.7 | I47 I48 P70 L84 F100 Y104 | I47-I86 WeakPolarHBondContact CA-O 3.43Å; I48-I86 HydrophobicContact CB-CB 4.17Å; I48-I86 HydrophobicContact CD1-CB 4.16Å; I48-I86 HydrophobicContact CD1-CD1 4.17Å; I48-I86 HydrophobicContact CD1-CG2 4.34Å; I48-I86 PolarHBondContact N-O 3.07Å; I48-I86 PolarHBondContact O-N 2.85Å; P70-I86 HydrophobicContact CB-CG1 4.27Å; L84-I86 HydrophobicContact CD2-CD1 4.03Å; L84-I86 HydrophobicContact CD2-CG1 4.2Å; L84-I86 HydrophobicContact CG-CG1 4.23Å; I86-F100 HydrophobicContact CG2-CD1 3.66Å; I86-F100 HydrophobicContact CG2-CE1 3.72Å; I86-Y104 HydrophobicContact CD1-CD1 4.08Å; I86-Y104 HydrophobicContact CD1-CE1 3.35Å |
| 87 | Q | 83 | Confident | 70.5 | Confident | 131 Ų | 131 | 74 Ų | 74 | 61% | 0.612 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 128.4 | 171.9 | -174.9 | 175.6 | -14.6 | 0 | 0 | 109.2 | F68 | F68-Q87 WeakPolarHBondContact CE1-O 3.5Å |
| 88 | L | 77.3 | Confident | 71.2 | Confident | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.016 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -94.5 | 150.4 | 179.5 | -69.4 | 173.8 | 0 | 0 | 0 | 111.6 | I41 T46 I48 K90 F100 M170 | I41-L88 HydrophobicContact CG2-CD1 4.09Å; T46-L88 PolarHBondContact O-N 3.32Å; I48-L88 HydrophobicContact CD1-CD1 4Å; I48-L88 HydrophobicContact CD1-CD2 3.98Å; I48-L88 HydrophobicContact CD1-CG 4.12Å; I48-L88 HydrophobicContact CG1-CD1 3.84Å; I48-L88 HydrophobicContact CG1-CG 4.18Å; L88-K90 PolarHBondContact O-N 3.35Å; L88-F100 HydrophobicContact CD2-CB 4.14Å; L88-F100 HydrophobicContact CD2-CD1 4.09Å; L88-F100 HydrophobicContact CD2-CD2 3.78Å; L88-F100 HydrophobicContact CD2-CE1 4.47Å; L88-F100 HydrophobicContact CD2-CE2 4.2Å; L88-F100 HydrophobicContact CD2-CG 3.71Å; L88-M170 HydrophobicContact CD1-CE 3.97Å; L88-M170 HydrophobicContact CD2-CE 3.63Å; L88-M170 HydrophobicContact CG-CE 4.45Å |
| 89 | P | 74.2 | Confident | 72 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 131.2 | 170.5 | -25.7 | 34 | 0 | 0 | 0 | 111.8 | F68 N91 L96 R97 F100 | F68-P89 HydrophobicContact CZ-CG 4.31Å; P89-N91 VanDerWaalsContact C-N 3.34Å; P89-L96 HydrophobicContact CG-CB 3.96Å; P89-R97 HydrophobicContact CB-CG 4.34Å; P89-R97 HydrophobicContact CG-CG 4.3Å; P89-R97 PolarHBondContact O-NH1 2.9Å; P89-F100 HydrophobicContact CG-CE2 4.07Å |
| 90 | K | 65.9 | Low | 73 | Confident | 170 Ų | 170 | 61.3 Ų | 61.3 | 74% | 0.739 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -70.7 | -27 | -179.9 | -74 | -174.5 | 175.1 | -178.7 | 0 | 113.4 | L88 | L88-K90 PolarHBondContact O-N 3.35Š|
| 91 | N | 60.6 | Low | 73.9 | Confident | 105 Ų | 105 | 58 Ų | 58 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | trans | -102.1 | 140 | 177.1 | -67.4 | 7.4 | 0 | 0 | 0 | 110.6 | P89 T93 | P89-N91 VanDerWaalsContact C-N 3.34Å; N91-T93 VanDerWaalsContact C-N 3.3Å; N91-T93 HydrophobicContact CB-CG2 4.44Å; N91-T93 WeakPolarHBondContact CB-OG1 3.47Å | ||
| 92 | N | 55.2 | Low | 74 | Confident | 101 Ų | 101 | 55.7 Ų | 55.7 | 54% | 0.54 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -84.6 | -0.1 | 169.4 | -76.9 | -7.6 | 0 | 0 | 0 | 113.2 | I43 D94 R97 | I43-N92 VanDerWaalsContact CG2-ND2 3.28Å; I43-N92 WeakPolarHBondContact CG2-ND2 3.42Å; N92-D94 PolarHBondContact O-N 3.08Å; N92-R97 WeakPolarHBondContact OD1-CD 3.31Å |
| 93 | T | 52.7 | Low | 73.7 | Confident | 108 Ų | 108 | 57.8 Ų | 57.8 | 66% | 0.663 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -61.6 | -28 | -172.5 | 44.1 | 0 | 0 | 0 | 0 | 113.8 | N91 | N91-T93 VanDerWaalsContact C-N 3.3Å; N91-T93 HydrophobicContact CB-CG2 4.44Å; N91-T93 WeakPolarHBondContact CB-OG1 3.47Å |
| 94 | D | 53.1 | Low | 73.7 | Confident | 94 Ų | 94 | 53.9 Ų | 53.9 | 50% | 0.503 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -116.8 | 141.6 | -175.8 | -54 | -84.8 | 0 | 0 | 0 | 109.3 | N92 L96 | N92-D94 PolarHBondContact O-N 3.08Å; D94-L96 HydrophobicContact CB-CD1 3.93Å; D94-L96 HydrophobicContact CB-CG 3.86Å; D94-L96 PolarHBondContact O-N 3.29Å |
| 95 | N | 60.8 | Low | 73.6 | Confident | 94 Ų | 94 | 55.6 Ų | 55.6 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -62.1 | 8.4 | -180 | -86.7 | -68.2 | 0 | 0 | 0 | 114.7 | R97 T98 H99 | N95-R97 VanDerWaalsContact C-N 3.3Å; N95-R97 PolarHBondContact O-N 2.9Å; N95-T98 WeakPolarHBondContact O-CB 3.32Å; N95-T98 PolarHBondContact O-N 3.2Å; N95-T98 VanDerWaalsContact O-N 3.1Å; N95-T98 PolarHBondContact O-OG1 3.33Å; N95-H99 PolarHBondContact O-ND1 3.25Å |
| 96 | L | 69.9 | Low | 73.6 | Confident | 77 Ų | 77 | 53.6 Ų | 53.6 | 40% | 0.403 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -52.7 | -39.4 | 176.6 | -62.9 | 174.5 | 0 | 0 | 0 | 113.2 | P89 D94 T98 H99 F100 | P89-L96 HydrophobicContact CG-CB 3.96Å; D94-L96 HydrophobicContact CB-CD1 3.93Å; D94-L96 HydrophobicContact CB-CG 3.86Å; D94-L96 PolarHBondContact O-N 3.29Å; L96-T98 PolarHBondContact O-N 3.18Å; L96-H99 VanDerWaalsContact O-CB 3.31Å; L96-H99 WeakPolarHBondContact O-CB 3.32Å; L96-H99 PolarHBondContact O-N 3.45Å; L96-H99 VanDerWaalsContact O-N 3.08Å; L96-H99 PolarHBondContact O-ND1 3.29Å; L96-F100 WeakPolarHBondContact O-CD2 3.24Å |
| 97 | R | 75.2 | Confident | 73.6 | Confident | 17 Ų | 17 | 53.6 Ų | 53.6 | 6% | 0.064 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -61.8 | -26 | 178.9 | -72.9 | -176.7 | 80.6 | 111.2 | -8.3 | 113.3 | I43 N45 P89 N92 N95 H99 F100 M170 | I43-R97 PolarHBondContact O-NH2 2.87Å; N45-R97 PolarHBondContact O-NH1 2.9Å; N45-R97 PolarHBondContact O-NH2 2.92Å; P89-R97 HydrophobicContact CB-CG 4.34Å; P89-R97 HydrophobicContact CG-CG 4.3Å; P89-R97 PolarHBondContact O-NH1 2.9Å; N92-R97 WeakPolarHBondContact OD1-CD 3.31Å; N95-R97 VanDerWaalsContact C-N 3.3Å; N95-R97 PolarHBondContact O-N 2.9Å; R97-H99 PolarHBondContact O-N 2.86Å; R97-F100 PolarHBondContact O-N 3.28Å; R97-M170 HydrophobicContact CB-CE 4.04Å; R97-M170 HydrophobicContact CG-CE 4.47Å; R97-M170 WeakPolarHBondContact O-CB 3.46Å; R97-M170 VanDerWaalsContact O-CE 3.31Å; R97-M170 WeakPolarHBondContact O-CE 3.49Å; R97-M170 WeakPolarHBondContact O-CG 3.43Å |
| 98 | T | 75.4 | Confident | 73.4 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -65.2 | -26.8 | 176.3 | 69 | 0 | 0 | 0 | 0 | 113.3 | N95 L96 F100 R101 T174 | N95-T98 WeakPolarHBondContact O-CB 3.32Å; N95-T98 PolarHBondContact O-N 3.2Å; N95-T98 VanDerWaalsContact O-N 3.1Å; N95-T98 PolarHBondContact O-OG1 3.33Å; L96-T98 PolarHBondContact O-N 3.18Å; T98-F100 PolarHBondContact O-N 3.27Å; T98-R101 VanDerWaalsContact O-CB 3.25Å; T98-R101 WeakPolarHBondContact O-CB 3.49Å; T98-R101 PolarHBondContact O-N 3.35Å; T98-T174 HydrophobicContact CG2-CG2 4.14Å; T98-T174 WeakPolarHBondContact OG1-CG2 3.44Å |
| 99 | H | 78.2 | Confident | 73 | Confident | 67 Ų | 67 | 51.4 Ų | 51.4 | 31% | 0.31 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -68.6 | -22.1 | -175.7 | -67.3 | 71.2 | 0 | 0 | 0 | 113 | T63 I64 N95 L96 R97 R101 | T63-H99 CarbonylContact C-O 3.53Å; T63-H99 WeakPolarHBondContact CB-O 3.16Å; T63-H99 WeakPolarHBondContact O-CB 3.39Å; T63-H99 PolarHBondContact O-CD2 2.82Å; T63-H99 PolarHBondContact OG1-O 3.48Å; I64-H99 PolarHBondContact N-O 3.45Å; N95-H99 PolarHBondContact O-ND1 3.25Å; L96-H99 VanDerWaalsContact O-CB 3.31Å; L96-H99 WeakPolarHBondContact O-CB 3.32Å; L96-H99 PolarHBondContact O-N 3.45Å; L96-H99 VanDerWaalsContact O-N 3.08Å; L96-H99 PolarHBondContact O-ND1 3.29Å; R97-H99 PolarHBondContact O-N 2.86Å; H99-R101 VanDerWaalsContact C-N 3.3Å; H99-R101 PolarHBondContact O-N 3.49Å |
| 100 | F | 82.1 | Confident | 72.3 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.009 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -83.9 | -3.4 | 178.6 | -59.9 | -86.5 | 0 | 0 | 0 | 113.6 | I64 F68 I86 L88 P89 L96 R97 T98 Y104 M170 | I64-F100 HydrophobicContact CD1-CD1 4.39Å; I64-F100 HydrophobicContact CG1-CD1 4.19Å; I64-F100 HydrophobicContact CG2-CD1 4.35Å; I64-F100 HydrophobicContact CG2-CE1 4.03Å; F68-F100 AromaticContact CD1-CE1 3.85Å; F68-F100 HydrophobicContact CD1-CE1 3.85Å; F68-F100 AromaticContact CD1-CZ 3.7Å; F68-F100 HydrophobicContact CD1-CZ 3.7Å; F68-F100 HydrophobicContact CD2-CE1 4.48Å; F68-F100 AromaticContact CD2-CZ 3.75Å; F68-F100 HydrophobicContact CD2-CZ 3.75Å; F68-F100 HydrophobicContact CE1-CE1 4.2Å; F68-F100 AromaticContact CE1-CZ 3.74Å; F68-F100 HydrophobicContact CE1-CZ 3.74Å; F68-F100 HydrophobicContact CE2-CE2 4.47Å; F68-F100 AromaticContact CE2-CZ 3.77Å; F68-F100 HydrophobicContact CE2-CZ 3.77Å; F68-F100 HydrophobicContact CG-CE1 4Å; F68-F100 AromaticContact CG-CZ 3.71Å; F68-F100 HydrophobicContact CG-CZ 3.71Å; F68-F100 AromaticContact CZ-CZ 3.76Å; F68-F100 HydrophobicContact CZ-CZ 3.76Å; I86-F100 HydrophobicContact CG2-CD1 3.66Å; I86-F100 HydrophobicContact CG2-CE1 3.72Å; L88-F100 HydrophobicContact CD2-CB 4.14Å; L88-F100 HydrophobicContact CD2-CD1 4.09Å; L88-F100 HydrophobicContact CD2-CD2 3.78Å; L88-F100 HydrophobicContact CD2-CE1 4.47Å; L88-F100 HydrophobicContact CD2-CE2 4.2Å; L88-F100 HydrophobicContact CD2-CG 3.71Å; P89-F100 HydrophobicContact CG-CE2 4.07Å; L96-F100 WeakPolarHBondContact O-CD2 3.24Å; R97-F100 PolarHBondContact O-N 3.28Å; T98-F100 PolarHBondContact O-N 3.27Å; F100-Y104 WeakPolarHBondContact O-CE2 3.42Å; F100-Y104 PolarHBondContact O-OH 3.28Å; F100-M170 HydrophobicContact CB-CE 4.07Å; F100-M170 HydrophobicContact CB-CG 4.04Å; F100-M170 HydrophobicContact CB-SD 3.82Å |
| 101 | R | 82.2 | Confident | 71.9 | Confident | 25 Ų | 25 | 49.2 Ų | 49.2 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | trans | -69.8 | 130.8 | 174 | -174 | -168.4 | -177.1 | 95 | 7.3 | 110 | T63 T98 H99 F167 M170 G194 N238 | T63-R101 PolarHBondContact OG1-O 2.82Å; T98-R101 VanDerWaalsContact O-CB 3.25Å; T98-R101 WeakPolarHBondContact O-CB 3.49Å; T98-R101 PolarHBondContact O-N 3.35Å; H99-R101 VanDerWaalsContact C-N 3.3Å; H99-R101 PolarHBondContact O-N 3.49Å; R101-F167 HydrophobicContact CG-CE1 4.14Å; R101-F167 HydrophobicContact CG-CZ 4.2Å; R101-M170 HydrophobicContact CB-CB 4.42Å; R101-M170 HydrophobicContact CB-CG 4.08Å; R101-G194 VanDerWaalsContact CZ-O 3.23Å; R101-G194 PolarHBondContact NH1-O 3.2Å; R101-G194 PolarHBondContact NH2-O 3.31Å; R101-N238 PolarHBondContact NH2-O 2.87Å | ||
| 102 | G | 79.2 | Confident | 71.5 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 9% | 0.093 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.4 | -170.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y104 F167 L168 | G102-Y104 WeakPolarHBondContact O-CD2 3.49Å; G102-F167 WeakPolarHBondContact O-CA 3.34Å; G102-L168 PolarHBondContact N-O 2.82Å; G102-L168 PolarHBondContact O-N 3.49Å |
| 103 | L | 78.8 | Confident | 71.5 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 25% | 0.246 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 127.3 | 177.4 | -175.4 | 67.4 | 0 | 0 | 0 | 111.4 | P61 L121 F167 | P61-L103 WeakPolarHBondContact CD-O 3.1Å; P61-L103 WeakPolarHBondContact CG-O 3.25Å; L103-L121 HydrophobicContact CD2-CD1 4.46Å; L103-F167 HydrophobicContact CB-CD2 4.19Å |
| 104 | Y | 86.6 | Confident | 71.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 136.2 | 172.6 | -64.3 | -106.1 | 0 | 0 | 0 | 108.4 | L50 Y59 I60 P61 I64 L84 I86 F100 G102 S165 V166 L168 | L50-Y104 HydrophobicContact CD1-CD1 3.96Å; L50-Y104 HydrophobicContact CD1-CG 3.9Å; Y59-Y104 WeakPolarHBondContact O-CA 3.39Å; I60-Y104 HydrophobicContact CB-CD1 4.38Å; I60-Y104 HydrophobicContact CB-CE1 4.39Å; I60-Y104 HydrophobicContact CG2-CD1 3.93Å; I60-Y104 HydrophobicContact CG2-CE1 4.19Å; P61-Y104 HydrophobicContact CG-CD2 4.15Å; P61-Y104 HydrophobicContact CG-CE2 3.77Å; I64-Y104 HydrophobicContact CD1-CE1 3.96Å; I64-Y104 WeakPolarHBondContact CD1-OH 3.24Å; L84-Y104 HydrophobicContact CD2-CD1 3.96Å; L84-Y104 HydrophobicContact CD2-CE1 4.42Å; I86-Y104 HydrophobicContact CD1-CD1 4.08Å; I86-Y104 HydrophobicContact CD1-CE1 3.35Å; F100-Y104 WeakPolarHBondContact O-CE2 3.42Å; F100-Y104 PolarHBondContact O-OH 3.28Å; G102-Y104 WeakPolarHBondContact O-CD2 3.49Å; Y104-S165 CarbonylContact O-C 3.53Å; Y104-S165 WeakPolarHBondContact O-CA 3.25Å; Y104-S165 WeakPolarHBondContact O-CB 3.42Å; Y104-V166 PolarHBondContact N-O 3.4Å; Y104-V166 PolarHBondContact O-N 2.82Å; Y104-L168 HydrophobicContact CD2-CB 4.17Å; Y104-L168 HydrophobicContact CD2-CD1 3.53Å; Y104-L168 HydrophobicContact CD2-CG 3.56Å; Y104-L168 HydrophobicContact CE1-CD1 4.39Å; Y104-L168 HydrophobicContact CE2-CB 3.89Å; Y104-L168 HydrophobicContact CE2-CD1 3.36Å; Y104-L168 HydrophobicContact CE2-CG 3.65Å; Y104-L168 HydrophobicContact CG-CD1 4.13Å; Y104-L168 HydrophobicContact CG-CG 4.42Å |
| 105 | Q | 85.6 | Confident | 71.5 | Confident | 36 Ų | 36 | 52.5 Ų | 52.5 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 140.6 | -175.8 | 167.7 | 174.4 | -10.1 | 0 | 0 | 111 | W58 Y59 C107 C163 G164 | W58-Q105 CarbonylContact C-O 3.59Å; W58-Q105 WeakPolarHBondContact CA-O 3.31Å; Y59-Q105 PolarHBondContact N-O 2.75Å; Y59-Q105 PolarHBondContact O-N 3.37Å; Q105-C107 PolarHBondContact NE2-SG 2.7Å; Q105-C107 VanDerWaalsContact NE2-SG 3.38Å; Q105-C163 HydrophobicContact CG-CB 4.42Å; Q105-G164 WeakPolarHBondContact CA-O 3.43Å |
| 106 | C | 86.8 | Confident | 71.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 140.7 | 173.4 | 178.7 | 0 | 0 | 0 | 0 | 109.6 | L30 C52 F54 E57 W58 C163 G164 | L30-C106 HydrophobicContact CD1-CB 3.76Å; C52-C106 HydrophobicContact CB-CB 3.67Å; C52-C106 WeakPolarHBondContact CB-SG 3.46Å; C52-C106 WeakPolarHBondContact SG-CB 3.36Å; C52-C106 CovalentContact SG-SG 2.03Å; C52-C106 PolarHBondContact SG-SG 3.22Å; F54-C106 HydrophobicContact CZ-CB 4.46Å; E57-C106 CarbonylContact O-C 3.55Å; E57-C106 WeakPolarHBondContact O-CA 3.34Å; W58-C106 HydrophobicContact CD2-CB 4.15Å; W58-C106 HydrophobicContact CE3-CB 4.07Å; W58-C106 HydrophobicContact CH2-CB 4.13Å; W58-C106 HydrophobicContact CZ2-CB 4.18Å; W58-C106 HydrophobicContact CZ3-CB 4.07Å; C106-C163 CarbonylContact O-C 3.52Å; C106-C163 WeakPolarHBondContact O-CA 3.07Å; C106-C163 WeakPolarHBondContact O-CB 3.07Å; C106-G164 PolarHBondContact N-O 2.77Å; C106-G164 PolarHBondContact O-N 2.84Å |
| 107 | C | 82.4 | Confident | 71.3 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 154.1 | 179.6 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | G55 N56 E57 Y59 Q105 T161 C163 | G55-C107 WeakPolarHBondContact CA-O 3.07Å; N56-C107 PolarHBondContact N-O 3.04Å; E57-C107 PolarHBondContact N-O 2.43Å; E57-C107 PolarHBondContact O-N 3.45Å; Y59-C107 HydrophobicContact CE2-CB 4.26Å; Q105-C107 PolarHBondContact NE2-SG 2.7Å; Q105-C107 VanDerWaalsContact NE2-SG 3.38Å; C107-T161 HydrophobicContact CB-CG2 4.17Å; C107-C163 HydrophobicContact CB-CB 4.18Å; C107-C163 WeakPolarHBondContact CB-SG 3.35Å; C107-C163 WeakPolarHBondContact SG-CB 3.42Å; C107-C163 CovalentContact SG-SG 2.04Å; C107-C163 PolarHBondContact SG-SG 2.81Å |
| 108 | Q | 78.9 | Confident | 71.2 | Confident | 67 Ų | 67 | 51 Ų | 51 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | trans | -79.1 | 120.4 | 173 | -170.6 | 179.4 | 7.9 | 0 | 0 | 111.2 | T161 Y162 | Q108-T161 WeakPolarHBondContact O-CG2 3.06Å; Q108-Y162 PolarHBondContact N-O 2.37Å; Q108-Y162 VanDerWaalsContact N-O 3.1Å | ||
| 109 | S | 68.8 | Low | 71.2 | Confident | 20 Ų | 20 | 52.2 Ų | 52.2 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | trans | -70.8 | 146.2 | 175.7 | -160.8 | 0 | 0 | 0 | 0 | 112.5 | N56 E57 N111 | N56-S109 WeakPolarHBondContact OD1-CB 3.35Å; N56-S109 PolarHBondContact OD1-N 3.16Å; N56-S109 VanDerWaalsContact OD1-N 3.14Å; E57-S109 WeakPolarHBondContact OE1-CB 3.46Å; E57-S109 PolarHBondContact OE1-OG 3.47Å; S109-N111 VanDerWaalsContact C-N 3.32Å; S109-N111 PolarHBondContact OG-N 3.46Å | ||
| 110 | S | 59.7 | Low | 71 | Confident | 69 Ų | 69 | 53.6 Ų | 53.6 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -76.2 | -18.2 | 166.8 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | M159 | S110-M159 WeakPolarHBondContact OG-CE 3.43Š|
| 111 | N | 57.9 | Low | 70.3 | Confident | 77 Ų | 77 | 55.2 Ų | 55.2 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | trans | -110.5 | 108 | -168.2 | -73.7 | 35.9 | 0 | 0 | 0 | 110.1 | S109 Y113 N114 | S109-N111 VanDerWaalsContact C-N 3.32Å; S109-N111 PolarHBondContact OG-N 3.46Å; N111-Y113 PolarHBondContact O-N 2.95Å; N111-N114 HydrophobicContact CB-CB 4.32Å; N111-N114 PolarHBondContact O-N 3.31Å | ||
| 112 | S | 52.6 | Low | 69.3 | Low | 106 Ų | 106 | 57.5 Ų | 57.5 | 74% | 0.741 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -13.1 | 176.2 | 49.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 113 | Y | 54.5 | Low | 68.3 | Low | 215 Ų | 215 | 61.7 Ų | 61.7 | 84% | 0.843 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -2.9 | 179.5 | -65.9 | -80.1 | 0 | 0 | 0 | 114.6 | N111 | N111-Y113 PolarHBondContact O-N 2.95Š|
| 114 | N | 52.2 | Low | 67.4 | Low | 53 Ų | 53 | 64 Ų | 64 | 28% | 0.283 | 34% | 0.336 | S | S | . | . | trans | -106.9 | 88 | 179.7 | -80.6 | -44.7 | 0 | 0 | 0 | 110.9 | N111 I117 | N111-N114 HydrophobicContact CB-CB 4.32Å; N111-N114 PolarHBondContact O-N 3.31Å; N114-I117 HydrophobicContact CB-CD1 3.75Å; N114-I117 HydrophobicContact CB-CG1 4.46Å | ||
| 115 | I | 54.8 | Low | 65.9 | Low | 103 Ų | 103 | 64.3 Ų | 64.3 | 53% | 0.528 | 34% | 0.338 | S | S | . | . | trans | -90.5 | 137.1 | 175.4 | -57.8 | 175.7 | 0 | 0 | 0 | 109.2 | M74 | M74-I115 HydrophobicContact CG-CG2 3.71Å; M74-I115 HydrophobicContact SD-CG2 4.1Å | ||
| 116 | S | 58.2 | Low | 64.7 | Low | 59 Ų | 59 | 67 Ų | 67 | 41% | 0.413 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 51.5 | 63.1 | 173.9 | 57.3 | 0 | 0 | 0 | 0 | 116.1 | ||
| 117 | I | 66.4 | Low | 63.5 | Low | 42 Ų | 42 | 69.9 Ų | 69.9 | 22% | 0.215 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 132 | 167.5 | -63.2 | 177.7 | 0 | 0 | 0 | 110 | E57 W58 N114 | E57-I117 HydrophobicContact CG-CB 4.32Å; W58-I117 PolarHBondContact N-O 2.71Å; N114-I117 HydrophobicContact CB-CD1 3.75Å; N114-I117 HydrophobicContact CB-CG1 4.46Å |
| 118 | I | 74.1 | Confident | 62.7 | Low | 55 Ų | 55 | 70.8 Ų | 70.8 | 28% | 0.282 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 117.8 | 170.2 | -57.5 | 172.3 | 0 | 0 | 0 | 108.1 | I60 P70 V72 | I60-I118 HydrophobicContact CD1-CG2 3.52Å; I60-I118 HydrophobicContact CG1-CG2 3.84Å; I60-I118 HydrophobicContact CG2-CG2 4.24Å; P70-I118 HydrophobicContact CG-CD1 4.23Å; P70-I118 WeakPolarHBondContact O-CD1 3.37Å; V72-I118 HydrophobicContact CG2-CD1 3.91Å; V72-I118 HydrophobicContact CG2-CG1 3.81Å |
| 119 | N | 75.7 | Confident | 62 | Low | 41 Ų | 41 | 69.1 Ų | 69.1 | 22% | 0.219 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 144.7 | 178.1 | -63.4 | -61.4 | 0 | 0 | 0 | 110.7 | W58 Y59 I60 | W58-N119 PolarHBondContact O-N 3.42Å; Y59-N119 CarbonylContact C-O 3.54Å; Y59-N119 WeakPolarHBondContact CA-O 3.1Å; Y59-N119 HydrophobicContact CD1-CB 3.58Å; Y59-N119 HydrophobicContact CE1-CB 3.67Å; Y59-N119 HydrophobicContact CG-CB 4.13Å; Y59-N119 VanDerWaalsContact CZ-ND2 3.32Å; Y59-N119 PolarHBondContact OH-ND2 2.99Å; I60-N119 PolarHBondContact N-O 2.93Å |
| 120 | W | 73.2 | Confident | 62.1 | Low | 95 Ų | 95 | 69.5 Ų | 69.5 | 36% | 0.36 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.4 | 178.6 | -69.1 | 90 | 0 | 0 | 0 | 110.6 | I60 P61 I64 L66 | I60-W120 HydrophobicContact CD1-CD2 3.95Å; I60-W120 HydrophobicContact CD1-CE3 3.91Å; I60-W120 HydrophobicContact CD1-CH2 3.77Å; I60-W120 HydrophobicContact CD1-CZ2 3.75Å; I60-W120 HydrophobicContact CD1-CZ3 3.84Å; I60-W120 HydrophobicContact CG1-CD2 4.01Å; I60-W120 HydrophobicContact CG1-CE3 3.88Å; I60-W120 HydrophobicContact CG1-CZ3 4.22Å; P61-W120 VanDerWaalsContact O-CZ3 3.31Å; P61-W120 WeakPolarHBondContact O-CZ3 3.41Å; I64-W120 HydrophobicContact CB-CH2 3.97Å; I64-W120 HydrophobicContact CB-CZ3 3.8Å; I64-W120 HydrophobicContact CG2-CH2 4.18Å; I64-W120 VanDerWaalsContact O-CH2 3.31Å; I64-W120 WeakPolarHBondContact O-CH2 3.49Å; I64-W120 WeakPolarHBondContact O-CZ3 3.28Å; L66-W120 HydrophobicContact CD2-CD2 4.48Å; L66-W120 HydrophobicContact CD2-CH2 4.37Å; L66-W120 HydrophobicContact CD2-CZ2 3.72Å |
| 121 | L | 67.5 | Low | 62.4 | Low | 37 Ų | 37 | 66.7 Ų | 66.7 | 19% | 0.194 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 124.5 | 172.5 | -72.9 | 168.4 | 0 | 0 | 0 | 109.4 | Y59 I60 S62 L103 | Y59-L121 HydrophobicContact CD1-CD2 4.2Å; I60-L121 WeakPolarHBondContact O-CB 3.44Å; I60-L121 PolarHBondContact O-N 2.92Å; S62-L121 WeakPolarHBondContact CB-O 3.34Å; S62-L121 PolarHBondContact N-O 2.89Å; S62-L121 PolarHBondContact OG-O 3.28Å; S62-L121 VanDerWaalsContact OG-O 3.14Å; L103-L121 HydrophobicContact CD2-CD1 4.46Å |
| 122 | P | 62 | Low | 62.5 | Low | 73 Ų | 73 | 64.8 Ų | 64.8 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 148 | 174.3 | 29.8 | -36 | 0 | 0 | 0 | 110.6 | L140 | P122-L140 HydrophobicContact CG-CD2 3.67Š|
| 123 | N | 57.3 | Low | 62.9 | Low | 96 Ų | 96 | 63 Ų | 63 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -61.5 | 161 | 171.1 | -67.2 | -20.2 | 0 | 0 | 0 | 111.4 | S62 | S62-N123 PolarHBondContact OG-N 3.22Å; S62-N123 VanDerWaalsContact OG-N 3.11Å; S62-N123 PolarHBondContact OG-ND2 3.07Å; S62-N123 PolarHBondContact OG-OD1 3.3Å |
| 124 | E | 59.3 | Low | 63 | Low | 96 Ų | 96 | 58.6 Ų | 58.6 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -28 | 125.3 | -166.1 | -63.2 | 170.6 | 159.2 | 0 | 0 | 116.4 | S126 L189 F240 | E124-S126 PolarHBondContact O-N 3.16Å; E124-S126 VanDerWaalsContact O-N 3.12Å; E124-L189 VanDerWaalsContact OE2-CD2 3.25Å; E124-L189 WeakPolarHBondContact OE2-CD2 3.35Å; E124-F240 WeakPolarHBondContact OE1-CB 3.44Å |
| 125 | P | 56.8 | Low | 63.5 | Low | 7 Ų | 7 | 59.3 Ų | 59.3 | 5% | 0.045 | 32% | 0.317 | C | S | . | . | trans | -63.8 | 116.1 | -177.2 | 23.8 | -32.7 | 0 | 0 | 0 | 111.8 | C127 C128 Q136 C139 L140 | P125-C127 PolarHBondContact O-N 3.25Å; P125-C128 CarbonylContact O-C 3.58Å; P125-C128 PolarHBondContact O-N 2.91Å; P125-Q136 HydrophobicContact CG-CB 3.87Å; P125-Q136 HydrophobicContact CG-CG 4.1Å; P125-C139 HydrophobicContact CB-CB 4Å; P125-C139 HydrophobicContact CG-CB 4.11Å; P125-L140 HydrophobicContact CB-CD2 3.82Å; P125-L140 HydrophobicContact CB-CG 3.91Å; P125-L140 HydrophobicContact CG-CD2 4.34Å; P125-L140 HydrophobicContact CG-CG 4.07Å | ||
| 126 | S | 59.8 | Low | 63.8 | Low | 93 Ų | 93 | 55.8 Ų | 55.8 | 65% | 0.65 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -9.4 | -177.4 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | E124 Q143 | E124-S126 PolarHBondContact O-N 3.16Å; E124-S126 VanDerWaalsContact O-N 3.12Å; S126-Q143 PolarHBondContact OG-NE2 2.89Å |
| 127 | C | 61.5 | Low | 63.8 | Low | 59 Ų | 59 | 55.9 Ų | 55.9 | 40% | 0.399 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -17.2 | 168.6 | 58.3 | 0 | 0 | 0 | 0 | 114.2 | P125 C139 Q143 | P125-C127 PolarHBondContact O-N 3.25Å; C127-C139 WeakPolarHBondContact CB-SG 3.3Å; C127-C139 WeakPolarHBondContact SG-CA 3.41Å; C127-C139 WeakPolarHBondContact SG-CB 3.42Å; C127-C139 PolarHBondContact SG-O 3.11Å; C127-C139 CovalentContact SG-SG 2.02Å; C127-C139 PolarHBondContact SG-SG 2.69Å; C127-Q143 HydrophobicContact CB-CG 3.84Å; C127-Q143 VanDerWaalsContact SG-CG 3.5Å; C127-Q143 PolarHBondContact SG-OE1 3.18Å |
| 128 | C | 65.1 | Low | 63.6 | Low | 23 Ų | 23 | 59 Ų | 59 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | trans | -158.3 | 78.8 | 173.5 | -163.8 | 0 | 0 | 0 | 0 | 112.8 | P125 C130 C131 C139 | P125-C128 CarbonylContact O-C 3.58Å; P125-C128 PolarHBondContact O-N 2.91Å; C128-C130 PolarHBondContact O-N 2.8Å; C128-C131 HydrophobicContact CB-CB 3.67Å; C128-C131 WeakPolarHBondContact CB-SG 3.33Å; C128-C131 PolarHBondContact O-N 2.99Å; C128-C131 VanDerWaalsContact SG-CA 3.55Å; C128-C131 WeakPolarHBondContact SG-CB 3.42Å; C128-C131 PolarHBondContact SG-N 2.67Å; C128-C131 VanDerWaalsContact SG-N 3.42Å; C128-C131 CovalentContact SG-SG 2.02Å; C128-C131 PolarHBondContact SG-SG 2.83Å; C128-C139 HydrophobicContact CB-CB 4.38Å; C128-C139 WeakPolarHBondContact CB-SG 3.46Å; C128-C139 PolarHBondContact N-SG 3.34Å | ||
| 129 | P | 64.4 | Low | 63.1 | Low | 33 Ų | 33 | 57.1 Ų | 57.1 | 21% | 0.214 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -2.9 | 179.3 | 28.8 | -37 | 0 | 0 | 0 | 114.6 | L189 | P129-L189 HydrophobicContact CB-CB 4.19Š|
| 130 | C | 70.8 | Confident | 62.3 | Low | 28 Ų | 28 | 56.7 Ų | 56.7 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | 18.6 | -179.2 | -70.3 | 0 | 0 | 0 | 0 | 113.4 | C128 P187 C243 | C128-C130 PolarHBondContact O-N 2.8Å; C130-P187 HydrophobicContact CB-CB 4.34Å; C130-C243 WeakPolarHBondContact CA-SG 3.49Å; C130-C243 HydrophobicContact CB-CB 3.78Å; C130-C243 WeakPolarHBondContact CB-SG 3.03Å; C130-C243 WeakPolarHBondContact SG-CB 3.47Å; C130-C243 CovalentContact SG-SG 2.03Å; C130-C243 PolarHBondContact SG-SG 2.88Å |
| 131 | C | 65.7 | Low | 61.6 | Low | 9 Ų | 9 | 56.5 Ų | 56.5 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | trans | -79.7 | 145.4 | 179.1 | -92 | 0 | 0 | 0 | 0 | 112.3 | C128 E135 Q136 | C128-C131 HydrophobicContact CB-CB 3.67Å; C128-C131 WeakPolarHBondContact CB-SG 3.33Å; C128-C131 PolarHBondContact O-N 2.99Å; C128-C131 VanDerWaalsContact SG-CA 3.55Å; C128-C131 WeakPolarHBondContact SG-CB 3.42Å; C128-C131 PolarHBondContact SG-N 2.67Å; C128-C131 VanDerWaalsContact SG-N 3.42Å; C128-C131 CovalentContact SG-SG 2.02Å; C128-C131 PolarHBondContact SG-SG 2.83Å; C131-E135 HydrophobicContact CB-CB 3.75Å; C131-E135 WeakPolarHBondContact SG-CB 3.32Å; C131-Q136 HydrophobicContact CB-CG 3.69Å; C131-Q136 WeakPolarHBondContact O-CG 3.44Å | ||
| 132 | P | 61.6 | Low | 61 | Low | 38 Ų | 38 | 60.8 Ų | 60.8 | 25% | 0.247 | 32% | 0.316 | C | S | . | . | trans | -55.4 | 151.8 | 156.6 | -21.3 | 33.7 | 0 | 0 | 0 | 111.1 | Y134 E135 Q136 | P132-Y134 VanDerWaalsContact C-N 3.33Å; P132-Y134 HydrophobicContact CB-CD1 3.84Å; P132-Y134 HydrophobicContact CB-CE1 3.42Å; P132-Y134 VanDerWaalsContact CB-CE1 3.42Å; P132-Y134 HydrophobicContact CG-CE1 4.09Å; P132-Y134 PolarHBondContact O-N 3.41Å; P132-E135 WeakPolarHBondContact CD-OE2 3.39Å; P132-E135 CarbonylContact O-C 3.56Å; P132-E135 WeakPolarHBondContact O-CA 3.43Å; P132-E135 WeakPolarHBondContact O-CB 3.38Å; P132-E135 PolarHBondContact O-N 2.76Å; P132-Q136 PolarHBondContact O-N 3.43Å | ||
| 133 | W | 59.3 | Low | 60.7 | Low | 69 Ų | 69 | 60 Ų | 60 | 26% | 0.261 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -48.8 | -46 | -175.7 | 67.8 | -67.6 | 0 | 0 | 0 | 114.6 | H35 H37 E135 Q136 D137 | H35-W133 HydrophobicContact CB-CH2 3.55Å; H35-W133 HydrophobicContact CB-CZ2 4.13Å; H35-W133 HydrophobicContact CB-CZ3 4.08Å; H35-W133 AromaticContact CD2-CH2 3.72Å; H35-W133 AromaticContact CG-CH2 3.37Å; H35-W133 AromaticContact CG-CZ3 3.74Å; H35-W133 AromaticContact ND1-CH2 3.71Å; H35-W133 AromaticContact ND1-CZ3 3.56Å; H37-W133 AromaticContact CE1-NE1 3.85Å; W133-E135 PolarHBondContact O-N 2.93Å; W133-Q136 WeakPolarHBondContact O-CA 3.37Å; W133-Q136 WeakPolarHBondContact O-CB 3.32Å; W133-Q136 PolarHBondContact O-N 2.85Å; W133-D137 PolarHBondContact O-N 2.82Å |
| 134 | Y | 58.4 | Low | 60.5 | Low | 122 Ų | 122 | 58.3 Ų | 58.3 | 48% | 0.478 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.3 | -19.9 | 177.9 | 68.1 | -93.9 | 0 | 0 | 0 | 114.5 | P132 | P132-Y134 VanDerWaalsContact C-N 3.33Å; P132-Y134 HydrophobicContact CB-CD1 3.84Å; P132-Y134 HydrophobicContact CB-CE1 3.42Å; P132-Y134 VanDerWaalsContact CB-CE1 3.42Å; P132-Y134 HydrophobicContact CG-CE1 4.09Å; P132-Y134 PolarHBondContact O-N 3.41Å |
| 135 | E | 61.2 | Low | 60.1 | Low | 67 Ų | 67 | 59 Ų | 59 | 31% | 0.313 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -90.4 | -32.1 | 170.1 | -57.1 | -166.3 | 146.4 | 0 | 0 | 111.1 | C131 P132 W133 D137 Q138 C139 | C131-E135 HydrophobicContact CB-CB 3.75Å; C131-E135 WeakPolarHBondContact SG-CB 3.32Å; P132-E135 WeakPolarHBondContact CD-OE2 3.39Å; P132-E135 CarbonylContact O-C 3.56Å; P132-E135 WeakPolarHBondContact O-CA 3.43Å; P132-E135 WeakPolarHBondContact O-CB 3.38Å; P132-E135 PolarHBondContact O-N 2.76Å; W133-E135 PolarHBondContact O-N 2.93Å; E135-D137 VanDerWaalsContact C-N 3.32Å; E135-D137 PolarHBondContact O-N 2.85Å; E135-Q138 PolarHBondContact O-N 2.94Å; E135-C139 WeakPolarHBondContact O-CB 3.34Å; E135-C139 PolarHBondContact O-N 3.08Å |
| 136 | Q | 62 | Low | 59.6 | Low | 30 Ų | 30 | 67.8 Ų | 67.8 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 170.6 | -67.2 | 178.7 | -41.8 | 0 | 0 | 111.1 | P125 C131 P132 W133 Q138 C139 L140 | P125-Q136 HydrophobicContact CG-CB 3.87Å; P125-Q136 HydrophobicContact CG-CG 4.1Å; C131-Q136 HydrophobicContact CB-CG 3.69Å; C131-Q136 WeakPolarHBondContact O-CG 3.44Å; P132-Q136 PolarHBondContact O-N 3.43Å; W133-Q136 WeakPolarHBondContact O-CA 3.37Å; W133-Q136 WeakPolarHBondContact O-CB 3.32Å; W133-Q136 PolarHBondContact O-N 2.85Å; Q136-Q138 PolarHBondContact O-N 2.9Å; Q136-C139 CarbonylContact O-C 3.6Å; Q136-C139 WeakPolarHBondContact O-CA 3.33Å; Q136-C139 VanDerWaalsContact O-CB 3.24Å; Q136-C139 WeakPolarHBondContact O-CB 3.46Å; Q136-C139 PolarHBondContact O-N 2.54Å; Q136-L140 WeakPolarHBondContact O-CG 3.39Å; Q136-L140 PolarHBondContact O-N 2.84Å |
| 137 | D | 58 | Low | 59 | Low | 60 Ų | 60 | 68.8 Ų | 68.8 | 32% | 0.321 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.8 | -50.9 | 173.8 | -67.6 | -33.9 | 0 | 0 | 0 | 111.4 | W133 E135 C139 L140 F141 | W133-D137 PolarHBondContact O-N 2.82Å; E135-D137 VanDerWaalsContact C-N 3.32Å; E135-D137 PolarHBondContact O-N 2.85Å; D137-C139 PolarHBondContact O-N 3.45Å; D137-L140 PolarHBondContact O-N 2.98Å; D137-F141 WeakPolarHBondContact O-CB 3.4Å; D137-F141 VanDerWaalsContact O-CD2 3.24Å; D137-F141 WeakPolarHBondContact O-CD2 3.48Å; D137-F141 PolarHBondContact O-N 2.99Å |
| 138 | Q | 62.3 | Low | 57.8 | Low | 109 Ų | 109 | 72.3 Ų | 72.3 | 51% | 0.509 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.9 | -27.9 | 175.9 | -67.5 | -176.3 | 32.3 | 0 | 0 | 112.8 | E135 Q136 K142 | E135-Q138 PolarHBondContact O-N 2.94Å; Q136-Q138 PolarHBondContact O-N 2.9Å; Q138-K142 WeakPolarHBondContact O-CG 3.42Å; Q138-K142 PolarHBondContact O-N 2.81Å |
| 139 | C | 63.6 | Low | 56.4 | Low | 14 Ų | 14 | 80 Ų | 80 | 10% | 0.095 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -74 | -47.4 | 177.3 | -139.1 | 0 | 0 | 0 | 0 | 111.1 | P125 C127 C128 E135 Q136 D137 F141 K142 Q143 | P125-C139 HydrophobicContact CB-CB 4Å; P125-C139 HydrophobicContact CG-CB 4.11Å; C127-C139 WeakPolarHBondContact CB-SG 3.3Å; C127-C139 WeakPolarHBondContact SG-CA 3.41Å; C127-C139 WeakPolarHBondContact SG-CB 3.42Å; C127-C139 PolarHBondContact SG-O 3.11Å; C127-C139 CovalentContact SG-SG 2.02Å; C127-C139 PolarHBondContact SG-SG 2.69Å; C128-C139 HydrophobicContact CB-CB 4.38Å; C128-C139 WeakPolarHBondContact CB-SG 3.46Å; C128-C139 PolarHBondContact N-SG 3.34Å; E135-C139 WeakPolarHBondContact O-CB 3.34Å; E135-C139 PolarHBondContact O-N 3.08Å; Q136-C139 CarbonylContact O-C 3.6Å; Q136-C139 WeakPolarHBondContact O-CA 3.33Å; Q136-C139 VanDerWaalsContact O-CB 3.24Å; Q136-C139 WeakPolarHBondContact O-CB 3.46Å; Q136-C139 PolarHBondContact O-N 2.54Å; D137-C139 PolarHBondContact O-N 3.45Å; C139-F141 PolarHBondContact O-N 3.13Å; C139-K142 PolarHBondContact O-N 2.88Å; C139-Q143 PolarHBondContact O-N 3.28Å |
| 140 | L | 58.4 | Low | 55.3 | Low | 32 Ų | 32 | 81.3 Ų | 81.3 | 17% | 0.168 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -56.2 | -49.2 | 171.1 | -71.5 | 168.6 | 0 | 0 | 0 | 110.7 | P122 P125 Q136 D137 K142 Q143 I144 | P122-L140 HydrophobicContact CG-CD2 3.67Å; P125-L140 HydrophobicContact CB-CD2 3.82Å; P125-L140 HydrophobicContact CB-CG 3.91Å; P125-L140 HydrophobicContact CG-CD2 4.34Å; P125-L140 HydrophobicContact CG-CG 4.07Å; Q136-L140 WeakPolarHBondContact O-CG 3.39Å; Q136-L140 PolarHBondContact O-N 2.84Å; D137-L140 PolarHBondContact O-N 2.98Å; L140-K142 PolarHBondContact O-N 2.92Å; L140-K142 VanDerWaalsContact O-N 3.14Å; L140-Q143 PolarHBondContact O-N 2.66Å; L140-I144 HydrophobicContact CB-CD1 4.34Å; L140-I144 VanDerWaalsContact O-CB 3.29Å; L140-I144 WeakPolarHBondContact O-CB 3.16Å; L140-I144 WeakPolarHBondContact O-CD1 3.46Å; L140-I144 VanDerWaalsContact O-CG1 3.23Å; L140-I144 WeakPolarHBondContact O-CG1 3.49Å; L140-I144 PolarHBondContact O-N 3.42Å |
| 141 | F | 58.5 | Low | 54 | Low | 91 Ų | 91 | 87.8 Ų | 87.8 | 40% | 0.399 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.1 | -29 | 174.5 | -89.4 | -66.8 | 0 | 0 | 0 | 113.9 | D137 C139 Q145 L156 | D137-F141 WeakPolarHBondContact O-CB 3.4Å; D137-F141 VanDerWaalsContact O-CD2 3.24Å; D137-F141 WeakPolarHBondContact O-CD2 3.48Å; D137-F141 PolarHBondContact O-N 2.99Å; C139-F141 PolarHBondContact O-N 3.13Å; F141-Q145 VanDerWaalsContact O-CG 3.26Å; F141-Q145 WeakPolarHBondContact O-CG 3Å; F141-Q145 PolarHBondContact O-NE2 2.97Å; F141-L156 HydrophobicContact CE1-CB 3.82Å; F141-L156 HydrophobicContact CZ-CB 4.05Å |
| 142 | K | 54.9 | Low | 53 | Low | 128 Ų | 128 | 92.5 Ų | 92.5 | 56% | 0.557 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -84.5 | -42 | 176 | -76.9 | 170.3 | -176.5 | 166.4 | 0 | 112.8 | Q138 C139 L140 Q145 F146 | Q138-K142 WeakPolarHBondContact O-CG 3.42Å; Q138-K142 PolarHBondContact O-N 2.81Å; C139-K142 PolarHBondContact O-N 2.88Å; L140-K142 PolarHBondContact O-N 2.92Å; L140-K142 VanDerWaalsContact O-N 3.14Å; K142-Q145 WeakPolarHBondContact O-CB 3.26Å; K142-Q145 PolarHBondContact O-N 2.86Å; K142-F146 WeakPolarHBondContact O-CD2 3.42Å |
| 143 | Q | 56 | Low | 52 | Low | 56 Ų | 56 | 92.6 Ų | 92.6 | 26% | 0.262 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 177.7 | -73.8 | -173.2 | -63.8 | 0 | 0 | 111.8 | S126 C127 C139 L140 Q145 F146 I147 | S126-Q143 PolarHBondContact OG-NE2 2.89Å; C127-Q143 HydrophobicContact CB-CG 3.84Å; C127-Q143 VanDerWaalsContact SG-CG 3.5Å; C127-Q143 PolarHBondContact SG-OE1 3.18Å; C139-Q143 PolarHBondContact O-N 3.28Å; L140-Q143 PolarHBondContact O-N 2.66Å; Q143-Q145 PolarHBondContact O-N 2.82Å; Q143-F146 PolarHBondContact O-N 3.12Å; Q143-I147 PolarHBondContact O-N 2.86Å |
| 144 | I | 53.3 | Low | 51.1 | Low | 61 Ų | 61 | 97.6 Ų | 97.6 | 31% | 0.313 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -25.2 | 175.9 | -66.1 | 165.6 | 0 | 0 | 0 | 111.2 | L140 F146 I147 I153 | L140-I144 HydrophobicContact CB-CD1 4.34Å; L140-I144 VanDerWaalsContact O-CB 3.29Å; L140-I144 WeakPolarHBondContact O-CB 3.16Å; L140-I144 WeakPolarHBondContact O-CD1 3.46Å; L140-I144 VanDerWaalsContact O-CG1 3.23Å; L140-I144 WeakPolarHBondContact O-CG1 3.49Å; L140-I144 PolarHBondContact O-N 3.42Å; I144-F146 VanDerWaalsContact C-N 3.31Å; I144-F146 PolarHBondContact O-N 2.8Å; I144-I147 PolarHBondContact O-N 2.9Å; I144-I153 HydrophobicContact CG2-CD1 3.79Å; I144-I153 HydrophobicContact CG2-CG1 3.61Å; I144-I153 WeakPolarHBondContact O-CD1 3.21Å |
| 145 | Q | 50.2 | Low | 50.4 | Low | 111 Ų | 111 | 94.8 Ų | 94.8 | 52% | 0.519 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -15.3 | 171.8 | -79.4 | 174.9 | 37.6 | 0 | 0 | 114.6 | F141 K142 Q143 | F141-Q145 VanDerWaalsContact O-CG 3.26Å; F141-Q145 WeakPolarHBondContact O-CG 3Å; F141-Q145 PolarHBondContact O-NE2 2.97Å; K142-Q145 WeakPolarHBondContact O-CB 3.26Å; K142-Q145 PolarHBondContact O-N 2.86Å; Q143-Q145 PolarHBondContact O-N 2.82Å |
| 146 | F | 46.5 | Very low | 49.6 | Very low | 191 Ų | 191 | 94.7 Ų | 94.7 | 84% | 0.838 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -14.1 | 174.5 | -83.4 | -82.1 | 0 | 0 | 0 | 113.5 | K142 Q143 I144 N148 | K142-F146 WeakPolarHBondContact O-CD2 3.42Å; Q143-F146 PolarHBondContact O-N 3.12Å; I144-F146 VanDerWaalsContact C-N 3.31Å; I144-F146 PolarHBondContact O-N 2.8Å; F146-N148 PolarHBondContact O-N 2.91Å |
| 147 | I | 46.6 | Very low | 48.6 | Very low | 114 Ų | 114 | 99.8 Ų | 99.8 | 59% | 0.585 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -95.8 | 91.4 | 175.2 | -56 | 176.4 | 0 | 0 | 0 | 108.6 | Q143 I144 | Q143-I147 PolarHBondContact O-N 2.86Å; I144-I147 PolarHBondContact O-N 2.9Å |
| 148 | N | 37.5 | Very low | 47.9 | Very low | 133 Ų | 133 | 101.4 Ų | 101.4 | 71% | 0.711 | 50% | 0.5 | S | S | * | . | trans | -58.3 | 150.1 | 166.1 | -83.9 | -27 | 0 | 0 | 0 | 110.4 | F146 | F146-N148 PolarHBondContact O-N 2.91Š| ||
| 149 | H | 35.7 | Very low | 46.8 | Very low | 185 Ų | 185 | 98.2 Ų | 98.2 | 86% | 0.856 | 49% | 0.485 | S | S | * | . | trans | 76.2 | 73.9 | -178.5 | -49.9 | -83.8 | 0 | 0 | 0 | 117 | ||||
| 150 | S | 40.2 | Very low | 45.9 | Very low | 60 Ų | 60 | 107.1 Ų | 107.1 | 42% | 0.42 | 52% | 0.523 | S | S | . | . | trans | -162.9 | 149.4 | 134.7 | 59.7 | 0 | 0 | 0 | 0 | 112 | I152 | S150-I152 PolarHBondContact O-N 2.81Å; S150-I152 VanDerWaalsContact O-N 3.16Å | ||
| 151 | N | 44.2 | Very low | 45.7 | Very low | 163 Ų | 163 | 108.1 Ų | 108.1 | 87% | 0.872 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -3.7 | -177 | -72.5 | -13.8 | 0 | 0 | 0 | 114.4 | I153 | N151-I153 PolarHBondContact O-N 2.8Š|
| 152 | I | 45.1 | Very low | 46.2 | Very low | 108 Ų | 108 | 109 Ų | 109 | 55% | 0.554 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.1 | -32.2 | 179.6 | -56.8 | 172.2 | 0 | 0 | 0 | 111 | S150 F154 K155 | S150-I152 PolarHBondContact O-N 2.81Å; S150-I152 VanDerWaalsContact O-N 3.16Å; I152-F154 VanDerWaalsContact C-N 3.27Å; I152-F154 PolarHBondContact O-N 2.82Å; I152-K155 PolarHBondContact O-N 2.79Å |
| 153 | I | 40.3 | Very low | 47.2 | Very low | 41 Ų | 41 | 103.4 Ų | 103.4 | 21% | 0.21 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -63.4 | -26.9 | -170.3 | -54.2 | -176.3 | 0 | 0 | 0 | 113.2 | I144 N151 | I144-I153 HydrophobicContact CG2-CD1 3.79Å; I144-I153 HydrophobicContact CG2-CG1 3.61Å; I144-I153 WeakPolarHBondContact O-CD1 3.21Å; N151-I153 PolarHBondContact O-N 2.8Å |
| 154 | F | 39.9 | Very low | 48.3 | Very low | 174 Ų | 174 | 100.7 Ų | 100.7 | 76% | 0.763 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -82 | -31.3 | -178.9 | -99.2 | -84.4 | 0 | 0 | 0 | 114.1 | I152 K157 | I152-F154 VanDerWaalsContact C-N 3.27Å; I152-F154 PolarHBondContact O-N 2.82Å; F154-K157 PolarHBondContact O-N 2.93Å |
| 155 | K | 44.1 | Very low | 49.7 | Very low | 62 Ų | 62 | 98 Ų | 98 | 27% | 0.27 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 179.6 | -95.4 | -164.4 | 172.3 | -168.1 | 0 | 112.7 | E57 I152 K157 M159 | E57-K155 IonicContact OE1-NZ 2.68Å; E57-K155 PolarHBondContact OE1-NZ 2.82Å; E57-K155 IonicContact OE2-NZ 3.83Å; I152-K155 PolarHBondContact O-N 2.79Å; K155-K157 PolarHBondContact O-N 2.84Å; K155-M159 WeakPolarHBondContact O-CG 3.39Å |
| 156 | L | 44.8 | Very low | 51.3 | Low | 66 Ų | 66 | 92.7 Ų | 92.7 | 35% | 0.346 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -4.6 | -176.9 | -67.7 | 169.3 | 0 | 0 | 0 | 114.1 | F141 | F141-L156 HydrophobicContact CE1-CB 3.82Å; F141-L156 HydrophobicContact CZ-CB 4.05Å |
| 157 | K | 40.9 | Very low | 53 | Low | 136 Ų | 136 | 84.7 Ų | 84.7 | 59% | 0.591 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -17.1 | -170 | -121.3 | 179.4 | -177.8 | 178.6 | 0 | 115.2 | F154 K155 | F154-K157 PolarHBondContact O-N 2.93Å; K155-K157 PolarHBondContact O-N 2.84Å |
| 158 | S | 42.3 | Very low | 54.8 | Low | 94 Ų | 94 | 79.3 Ų | 79.3 | 66% | 0.657 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -104.9 | -6 | -173.9 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 159 | M | 40.8 | Very low | 56.8 | Low | 43 Ų | 43 | 73 Ų | 73 | 21% | 0.212 | 36% | 0.361 | C | S | . | . | trans | -97.9 | 126.7 | -163.3 | -59.6 | -88.1 | -161.4 | 0 | 0 | 112.6 | S110 K155 T161 | S110-M159 WeakPolarHBondContact OG-CE 3.43Å; K155-M159 WeakPolarHBondContact O-CG 3.39Å; M159-T161 HydrophobicContact CB-CG2 3.68Å; M159-T161 WeakPolarHBondContact CB-OG1 3.32Å; M159-T161 HydrophobicContact CG-CG2 3.88Å; M159-T161 PolarHBondContact O-N 3.23Å; M159-T161 VanDerWaalsContact O-N 3.15Å; M159-T161 HydrophobicContact SD-CG2 3.8Å | ||
| 160 | K | 43.4 | Very low | 58.8 | Low | 201 Ų | 201 | 64.6 Ų | 64.6 | 87% | 0.874 | 32% | 0.322 | S | S | * | . | trans | -79.4 | 58.1 | 145.7 | -72 | -178.7 | 178.2 | 175.8 | 0 | 108.3 | Y162 | K160-Y162 PolarHBondContact O-N 2.92Å; K160-Y162 VanDerWaalsContact O-N 3.15Å | ||
| 161 | T | 54.9 | Low | 60.4 | Low | 52 Ų | 52 | 63.4 Ų | 63.4 | 32% | 0.319 | 31% | 0.311 | S | S | . | . | trans | -66.4 | 115.4 | -174.5 | 11.5 | 0 | 0 | 0 | 0 | 109.7 | C107 Q108 M159 C163 | C107-T161 HydrophobicContact CB-CG2 4.17Å; Q108-T161 WeakPolarHBondContact O-CG2 3.06Å; M159-T161 HydrophobicContact CB-CG2 3.68Å; M159-T161 WeakPolarHBondContact CB-OG1 3.32Å; M159-T161 HydrophobicContact CG-CG2 3.88Å; M159-T161 PolarHBondContact O-N 3.23Å; M159-T161 VanDerWaalsContact O-N 3.15Å; M159-T161 HydrophobicContact SD-CG2 3.8Å; T161-C163 PolarHBondContact O-N 2.84Å | ||
| 162 | Y | 68.4 | Low | 61.7 | Low | 109 Ų | 109 | 57 Ų | 57 | 43% | 0.427 | 28% | 0.279 | S | S | . | . | trans | -70 | 119.6 | 160.7 | -61.3 | -81.2 | 0 | 0 | 0 | 108.1 | Q32 Q108 K160 | Q32-Y162 HydrophobicContact CG-CD1 4.05Å; Q32-Y162 HydrophobicContact CG-CG 4.12Å; Q32-Y162 VanDerWaalsContact NE2-CB 3.31Å; Q108-Y162 PolarHBondContact N-O 2.37Å; Q108-Y162 VanDerWaalsContact N-O 3.1Å; K160-Y162 PolarHBondContact O-N 2.92Å; K160-Y162 VanDerWaalsContact O-N 3.15Å | ||
| 163 | C | 75.9 | Confident | 63 | Low | 11 Ų | 11 | 52.2 Ų | 52.2 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 160.9 | -179.3 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | N33 Q105 C106 C107 T161 | N33-C163 WeakPolarHBondContact CA-O 3.48Å; N33-C163 PolarHBondContact N-O 2.81Å; Q105-C163 HydrophobicContact CG-CB 4.42Å; C106-C163 CarbonylContact O-C 3.52Å; C106-C163 WeakPolarHBondContact O-CA 3.07Å; C106-C163 WeakPolarHBondContact O-CB 3.07Å; C107-C163 HydrophobicContact CB-CB 4.18Å; C107-C163 WeakPolarHBondContact CB-SG 3.35Å; C107-C163 WeakPolarHBondContact SG-CB 3.42Å; C107-C163 CovalentContact SG-SG 2.04Å; C107-C163 PolarHBondContact SG-SG 2.81Å; T161-C163 PolarHBondContact O-N 2.84Å |
| 164 | G | 79.5 | Confident | 64.7 | Low | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 151.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | E34 Q105 C106 | E34-G164 VanDerWaalsContact O-CA 3.24Å; E34-G164 WeakPolarHBondContact O-CA 3.42Å; Q105-G164 WeakPolarHBondContact CA-O 3.43Å; C106-G164 PolarHBondContact N-O 2.77Å; C106-G164 PolarHBondContact O-N 2.84Å |
| 165 | S | 82.4 | Confident | 66.5 | Low | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.028 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 151.6 | -174.2 | 68 | 0 | 0 | 0 | 0 | 113.8 | L30 E34 H35 H36 Y104 | L30-S165 VanDerWaalsContact CD2-C 3.48Å; E34-S165 PolarHBondContact O-N 2.92Å; H35-S165 CarbonylContact C-O 3.56Å; H35-S165 WeakPolarHBondContact CA-O 3.21Å; H35-S165 PolarHBondContact ND1-OG 2.88Å; H36-S165 PolarHBondContact N-O 3.44Å; Y104-S165 CarbonylContact O-C 3.53Å; Y104-S165 WeakPolarHBondContact O-CA 3.25Å; Y104-S165 WeakPolarHBondContact O-CB 3.42Å |
| 166 | V | 83.6 | Confident | 68.1 | Low | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 140.1 | 175.3 | 67.6 | 0 | 0 | 0 | 0 | 110.9 | L30 H36 Y39 L50 Y104 L168 | L30-V166 HydrophobicContact CD2-CB 3.81Å; L30-V166 HydrophobicContact CD2-CG1 3.91Å; H36-V166 HydrophobicContact CB-CB 4.49Å; H36-V166 HydrophobicContact CB-CG2 4.23Å; H36-V166 WeakPolarHBondContact O-CA 3.49Å; Y39-V166 HydrophobicContact CG-CG2 4.45Å; L50-V166 HydrophobicContact CD1-CG1 4.19Å; L50-V166 HydrophobicContact CD2-CG1 4.25Å; Y104-V166 PolarHBondContact N-O 3.4Å; Y104-V166 PolarHBondContact O-N 2.82Å; V166-L168 HydrophobicContact CG1-CD2 3.86Å; V166-L168 HydrophobicContact CG1-CG 4.4Å; V166-L168 HydrophobicContact CG2-CD2 4.07Å |
| 167 | F | 82.7 | Confident | 69.9 | Low | 23 Ų | 23 | 47.6 Ų | 47.6 | 10% | 0.101 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.4 | 170 | -168.6 | -80 | 0 | 0 | 0 | 110.3 | H36 Y39 R101 G102 L103 H169 R239 | H36-F167 PolarHBondContact O-N 2.9Å; Y39-F167 PolarHBondContact N-O 2.81Å; Y39-F167 VanDerWaalsContact N-O 3.1Å; R101-F167 HydrophobicContact CG-CE1 4.14Å; R101-F167 HydrophobicContact CG-CZ 4.2Å; G102-F167 WeakPolarHBondContact O-CA 3.34Å; L103-F167 HydrophobicContact CB-CD2 4.19Å; F167-H169 AromaticContact CD1-CD2 3.61Å; F167-H169 AromaticContact CD1-NE2 3.56Å; F167-H169 AromaticContact CE1-NE2 3.85Å; F167-R239 HydrophobicContact CD1-CG 3.85Å; F167-R239 HydrophobicContact CD2-CB 4.36Å; F167-R239 HydrophobicContact CD2-CG 3.96Å; F167-R239 HydrophobicContact CE1-CB 4.06Å; F167-R239 HydrophobicContact CE1-CG 3.8Å; F167-R239 HydrophobicContact CE2-CB 3.81Å; F167-R239 HydrophobicContact CE2-CG 3.9Å; F167-R239 HydrophobicContact CG-CG 3.93Å; F167-R239 HydrophobicContact CZ-CB 3.64Å; F167-R239 HydrophobicContact CZ-CG 3.83Å |
| 168 | L | 84.3 | Confident | 71.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 123.5 | -176.4 | -58.9 | -173.3 | 0 | 0 | 0 | 111.6 | Y39 I41 I48 L50 G102 Y104 V166 | Y39-L168 HydrophobicContact CD1-CD2 3.96Å; Y39-L168 HydrophobicContact CG-CD2 4.26Å; I41-L168 HydrophobicContact CD1-CB 3.87Å; I41-L168 HydrophobicContact CD1-CD1 4.02Å; I41-L168 HydrophobicContact CD1-CD2 4.37Å; I41-L168 HydrophobicContact CD1-CG 4.3Å; I48-L168 HydrophobicContact CD1-CD1 4.13Å; I48-L168 HydrophobicContact CG2-CD1 4.17Å; L50-L168 HydrophobicContact CD1-CD1 4.31Å; L50-L168 HydrophobicContact CD2-CD1 4.29Å; L50-L168 HydrophobicContact CD2-CD2 4.24Å; G102-L168 PolarHBondContact N-O 2.82Å; G102-L168 PolarHBondContact O-N 3.49Å; Y104-L168 HydrophobicContact CD2-CB 4.17Å; Y104-L168 HydrophobicContact CD2-CD1 3.53Å; Y104-L168 HydrophobicContact CD2-CG 3.56Å; Y104-L168 HydrophobicContact CE1-CD1 4.39Å; Y104-L168 HydrophobicContact CE2-CB 3.89Å; Y104-L168 HydrophobicContact CE2-CD1 3.36Å; Y104-L168 HydrophobicContact CE2-CG 3.65Å; Y104-L168 HydrophobicContact CG-CD1 4.13Å; Y104-L168 HydrophobicContact CG-CG 4.42Å; V166-L168 HydrophobicContact CG1-CD2 3.86Å; V166-L168 HydrophobicContact CG1-CG 4.4Å; V166-L168 HydrophobicContact CG2-CD2 4.07Å |
| 169 | H | 79 | Confident | 73.8 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 121.3 | 174 | -76.4 | -106.8 | 0 | 0 | 0 | 110.6 | Y39 D40 I41 F167 N196 | Y39-H169 PolarHBondContact O-N 2.81Å; D40-H169 WeakPolarHBondContact OD1-CB 3.22Å; D40-H169 IonicContact OD1-CG 3.7Å; I41-H169 PolarHBondContact N-O 2.95Å; F167-H169 AromaticContact CD1-CD2 3.61Å; F167-H169 AromaticContact CD1-NE2 3.56Å; F167-H169 AromaticContact CE1-NE2 3.85Å; H169-N196 PolarHBondContact CE1-O 3.14Å; H169-N196 VanDerWaalsContact CE1-O 3.28Å; H169-N196 PolarHBondContact ND1-O 2.74Å; H169-N196 VanDerWaalsContact ND1-O 3.14Å |
| 170 | M | 77.9 | Confident | 75.6 | Confident | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.039 | 22% | 0.219 | C | C | . | . | trans | -93 | 11 | -177 | -68 | -59.2 | -60.5 | 0 | 0 | 114.1 | I41 L88 R97 F100 R101 S172 | I41-M170 HydrophobicContact CB-SD 4.38Å; I41-M170 HydrophobicContact CD1-SD 3.47Å; I41-M170 WeakPolarHBondContact CD1-SD 3.36Å; L88-M170 HydrophobicContact CD1-CE 3.97Å; L88-M170 HydrophobicContact CD2-CE 3.63Å; L88-M170 HydrophobicContact CG-CE 4.45Å; R97-M170 HydrophobicContact CB-CE 4.04Å; R97-M170 HydrophobicContact CG-CE 4.47Å; R97-M170 WeakPolarHBondContact O-CB 3.46Å; R97-M170 VanDerWaalsContact O-CE 3.31Å; R97-M170 WeakPolarHBondContact O-CE 3.49Å; R97-M170 WeakPolarHBondContact O-CG 3.43Å; F100-M170 HydrophobicContact CB-CE 4.07Å; F100-M170 HydrophobicContact CB-CG 4.04Å; F100-M170 HydrophobicContact CB-SD 3.82Å; R101-M170 HydrophobicContact CB-CB 4.42Å; R101-M170 HydrophobicContact CB-CG 4.08Å; M170-S172 PolarHBondContact O-N 3.37Å; M170-S172 PolarHBondContact O-OG 2.9Å | ||
| 171 | N | 73.2 | Confident | 77.1 | Confident | 36 Ų | 36 | 38.4 Ų | 38.4 | 19% | 0.193 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 49.8 | 28.1 | -177.3 | -74.1 | -57 | 0 | 0 | 0 | 114.6 | I41 L195 N196 M263 | I41-N171 PolarHBondContact O-ND2 2.72Å; N171-L195 WeakPolarHBondContact CA-O 3.42Å; N171-N196 VanDerWaalsContact OD1-CB 3.28Å; N171-N196 WeakPolarHBondContact OD1-CB 3.47Å; N171-M263 WeakPolarHBondContact O-CE 3.45Å |
| 172 | S | 72.1 | Confident | 78 | Confident | 27 Ų | 27 | 36.3 Ų | 36.3 | 19% | 0.189 | 19% | 0.191 | C | C | . | . | trans | -156.5 | 153.5 | -174.1 | 50.4 | 0 | 0 | 0 | 0 | 110.8 | M170 | M170-S172 PolarHBondContact O-N 3.37Å; M170-S172 PolarHBondContact O-OG 2.9Å | ||
| 173 | V | 73.2 | Confident | 77.9 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | trans | -144.9 | 145.3 | -177.4 | 175.4 | 0 | 0 | 0 | 0 | 109.1 | M175 P193 L195 | V173-M175 HydrophobicContact CB-CE 4.16Å; V173-M175 PolarHBondContact O-N 3.04Å; V173-P193 HydrophobicContact CG1-CG 3.8Å; V173-P193 HydrophobicContact CG2-CG 4.01Å; V173-L195 HydrophobicContact CG2-CD2 4.21Å | ||
| 174 | T | 75.2 | Confident | 77 | Confident | 40 Ų | 40 | 43.2 Ų | 43.2 | 25% | 0.245 | 22% | 0.221 | C | C | . | . | trans | -73.6 | 115 | 179.7 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | T98 T176 R267 | T98-T174 HydrophobicContact CG2-CG2 4.14Å; T98-T174 WeakPolarHBondContact OG1-CG2 3.44Å; T174-T176 PolarHBondContact O-N 3.44Å; T174-R267 PolarHBondContact O-NE 2.99Å; T174-R267 PolarHBondContact O-NH2 2.04Å; T174-R267 PolarHBondContact OG1-NH2 3.45Å | ||
| 175 | M | 77.3 | Confident | 75.9 | Confident | 38 Ų | 38 | 50.3 Ų | 50.3 | 19% | 0.187 | 26% | 0.259 | C | S | . | . | trans | -81.2 | 10.4 | -176.5 | -58 | -53.7 | 172.3 | 0 | 0 | 115.4 | V173 Y260 E265 R267 | V173-M175 HydrophobicContact CB-CE 4.16Å; V173-M175 PolarHBondContact O-N 3.04Å; M175-Y260 HydrophobicContact CE-CD2 3.53Å; M175-Y260 HydrophobicContact CE-CE2 3.95Å; M175-Y260 HydrophobicContact CE-CG 4.08Å; M175-Y260 HydrophobicContact SD-CD2 3.84Å; M175-Y260 HydrophobicContact SD-CE2 3.99Å; M175-E265 HydrophobicContact CE-CB 3.83Å; M175-E265 WeakPolarHBondContact CE-OE2 3.37Å; M175-E265 HydrophobicContact CG-CB 4.11Å; M175-E265 HydrophobicContact SD-CB 4.21Å; M175-R267 HydrophobicContact SD-CB 4.01Å | ||
| 176 | T | 78.4 | Confident | 75 | Confident | 93 Ų | 93 | 54.9 Ų | 54.9 | 57% | 0.571 | 28% | 0.28 | S | S | * | . | trans | -61.6 | 138.8 | 174.3 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | T174 | T174-T176 PolarHBondContact O-N 3.44Š| ||
| 177 | T | 81.7 | Confident | 74.2 | Confident | 75 Ų | 75 | 57.5 Ų | 57.5 | 46% | 0.46 | 30% | 0.297 | S | S | . | . | trans | -55.3 | 139.9 | 171.1 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | I268 | T177-I268 WeakPolarHBondContact CA-O 3.28Å; T177-I268 HydrophobicContact CG2-CB 4.23Å; T177-I268 HydrophobicContact CG2-CG2 4.11Å | ||
| 178 | I | 82 | Confident | 73.8 | Confident | 33 Ų | 33 | 57 Ų | 57 | 17% | 0.169 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.7 | -179 | -48.7 | 168.2 | 0 | 0 | 0 | 109.7 | P191 R267 I268 I269 Q270 | I178-P191 HydrophobicContact CD1-CB 4.33Å; I178-P191 HydrophobicContact CD1-CG 3.59Å; I178-P191 HydrophobicContact CG2-CG 4.34Å; I178-R267 HydrophobicContact CD1-CG 4.39Å; I178-I268 PolarHBondContact N-O 2.82Å; I178-I269 HydrophobicContact CB-CG1 4.39Å; I178-I269 HydrophobicContact CD1-CD1 4.16Å; I178-I269 HydrophobicContact CD1-CG1 3.98Å; I178-I269 WeakPolarHBondContact O-CA 3.35Å; I178-Q270 PolarHBondContact O-N 3.08Å |
| 179 | H | 83.9 | Confident | 73.5 | Confident | 117 Ų | 117 | 57.5 Ų | 57.5 | 54% | 0.542 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 132.6 | 167.7 | -60.9 | -67.6 | 0 | 0 | 0 | 110.1 | Q270 I272 | H179-Q270 PolarHBondContact CE1-OE1 3.07Å; H179-Q270 PolarHBondContact ND1-OE1 3.1Å; H179-I272 HydrophobicContact CB-CD1 3.83Å; H179-I272 HydrophobicContact CB-CG1 4.46Å |
| 180 | L | 78.9 | Confident | 73.7 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 14% | 0.136 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 102.9 | -174 | -176.8 | 66 | 0 | 0 | 0 | 111.1 | I182 M188 I190 M256 I269 Q270 P271 I272 | L180-I182 PolarHBondContact O-N 3.13Å; L180-M188 HydrophobicContact CD1-CE 4.05Å; L180-M188 HydrophobicContact CD2-CE 4.04Å; L180-M188 HydrophobicContact CG-CE 3.74Å; L180-I190 HydrophobicContact CD2-CG1 4.29Å; L180-M256 HydrophobicContact CD2-CE 4.33Å; L180-I269 HydrophobicContact CB-CG2 4.1Å; L180-I269 HydrophobicContact CD2-CG2 4.14Å; L180-Q270 PolarHBondContact N-O 2.81Å; L180-P271 WeakPolarHBondContact O-CA 3.46Å; L180-I272 PolarHBondContact O-N 2.94Å |
| 181 | D | 75.8 | Confident | 73.9 | Confident | 106 Ų | 106 | 58.5 Ų | 58.5 | 57% | 0.567 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 123.2 | -179.2 | -74.5 | -44.9 | 0 | 0 | 0 | 112.9 | I183 M188 | D181-I183 PolarHBondContact O-N 2.99Å; D181-M188 VanDerWaalsContact O-CE 3.25Å; D181-M188 WeakPolarHBondContact O-CE 3.07Å |
| 182 | I | 72.9 | Confident | 74.4 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | trans | -85.6 | 82.8 | -177.7 | -63 | -179.6 | 0 | 0 | 0 | 111.4 | L180 M188 K246 F249 P271 I272 W273 | L180-I182 PolarHBondContact O-N 3.13Å; I182-M188 HydrophobicContact CB-CE 4.45Å; I182-M188 HydrophobicContact CB-SD 4.4Å; I182-M188 HydrophobicContact CG1-CE 3.96Å; I182-M188 HydrophobicContact CG1-SD 4.25Å; I182-M188 HydrophobicContact CG2-SD 4.16Å; I182-K246 HydrophobicContact CG2-CD 4.46Å; I182-K246 HydrophobicContact CG2-CG 4.34Å; I182-F249 HydrophobicContact CD1-CD1 4.39Å; I182-P271 HydrophobicContact CD1-CB 3.55Å; I182-P271 HydrophobicContact CG1-CB 4.31Å; I182-I272 WeakPolarHBondContact CB-O 3.28Å; I182-I272 PolarHBondContact N-O 3.34Å; I182-W273 HydrophobicContact CB-CE3 4.38Å; I182-W273 HydrophobicContact CD1-CD2 3.71Å; I182-W273 HydrophobicContact CD1-CE3 4.09Å; I182-W273 HydrophobicContact CD1-CG 4.27Å; I182-W273 HydrophobicContact CD1-CH2 3.88Å; I182-W273 HydrophobicContact CD1-CZ2 3.46Å; I182-W273 VanDerWaalsContact CD1-CZ2 3.46Å; I182-W273 HydrophobicContact CD1-CZ3 4.18Å; I182-W273 HydrophobicContact CG2-CE3 4.03Å; I182-W273 HydrophobicContact CG2-CH2 4.22Å; I182-W273 HydrophobicContact CG2-CZ3 3.8Å | ||
| 183 | I | 65.3 | Low | 74.9 | Confident | 93 Ų | 93 | 56.1 Ų | 56.1 | 48% | 0.477 | 29% | 0.291 | S | S | . | . | trans | -62.1 | 142.9 | 174.1 | -52.4 | 177.3 | 0 | 0 | 0 | 110.3 | D181 Q186 K246 | D181-I183 PolarHBondContact O-N 2.99Å; I183-Q186 HydrophobicContact CG2-CG 4.44Å; I183-K246 WeakPolarHBondContact O-CD 3.48Å | ||
| 184 | R | 57.5 | Low | 75.1 | Confident | 173 Ų | 173 | 55.8 Ų | 55.8 | 65% | 0.653 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 123.6 | 179.5 | -56.7 | -160.6 | 172.5 | -178.7 | 1.6 | 111.4 | ||
| 185 | N | 57.3 | Low | 75.2 | Confident | 148 Ų | 148 | 54.1 Ų | 54.1 | 79% | 0.791 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 32.6 | 167.6 | -51.4 | 0.8 | 0 | 0 | 0 | 115.6 | ||
| 186 | Q | 64 | Low | 74.9 | Confident | 100 Ų | 100 | 53.8 Ų | 53.8 | 47% | 0.467 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -120.8 | 157.3 | 170.2 | -71.4 | 179.7 | -17.8 | 0 | 0 | 110.4 | I183 | I183-Q186 HydrophobicContact CG2-CG 4.44Š|
| 187 | P | 66.4 | Low | 74.4 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 36% | 0.357 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 148.6 | 166.6 | 30.7 | -35.1 | 0 | 0 | 0 | 109.9 | C130 L245 | C130-P187 HydrophobicContact CB-CB 4.34Å; P187-L245 HydrophobicContact CB-CD2 4.48Å |
| 188 | M | 73.3 | Confident | 73.5 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 6% | 0.059 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 129.1 | -177.7 | -65.8 | -170.7 | 66.1 | 0 | 0 | 110.8 | L180 D181 I182 L244 F249 | L180-M188 HydrophobicContact CD1-CE 4.05Å; L180-M188 HydrophobicContact CD2-CE 4.04Å; L180-M188 HydrophobicContact CG-CE 3.74Å; D181-M188 VanDerWaalsContact O-CE 3.25Å; D181-M188 WeakPolarHBondContact O-CE 3.07Å; I182-M188 HydrophobicContact CB-CE 4.45Å; I182-M188 HydrophobicContact CB-SD 4.4Å; I182-M188 HydrophobicContact CG1-CE 3.96Å; I182-M188 HydrophobicContact CG1-SD 4.25Å; I182-M188 HydrophobicContact CG2-SD 4.16Å; M188-L244 PolarHBondContact N-O 3.11Å; M188-L244 PolarHBondContact O-N 2.85Å; M188-F249 HydrophobicContact CB-CE2 4.04Å; M188-F249 HydrophobicContact CB-CZ 4.31Å; M188-F249 HydrophobicContact SD-CE2 4.19Å; M188-F249 HydrophobicContact SD-CZ 4.42Å |
| 189 | L | 79.1 | Confident | 72.4 | Confident | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 130.7 | 168.1 | 174.1 | 59.8 | 0 | 0 | 0 | 109.6 | E124 P129 P191 F240 | E124-L189 VanDerWaalsContact OE2-CD2 3.25Å; E124-L189 WeakPolarHBondContact OE2-CD2 3.35Å; P129-L189 HydrophobicContact CB-CB 4.19Å; L189-P191 WeakPolarHBondContact O-CD 3.33Å; L189-F240 HydrophobicContact CD1-CB 4.46Å; L189-F240 HydrophobicContact CD1-CD2 3.73Å; L189-F240 HydrophobicContact CD2-CB 4.1Å; L189-F240 HydrophobicContact CD2-CD2 4.41Å |
| 190 | I | 82.3 | Confident | 70.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 107.1 | 165.5 | -60.5 | 169 | 0 | 0 | 0 | 106.8 | L180 C192 L242 L244 F249 M256 I269 | L180-I190 HydrophobicContact CD2-CG1 4.29Å; I190-C192 VanDerWaalsContact C-N 3.3Å; I190-C192 PolarHBondContact O-N 3.21Å; I190-L242 WeakPolarHBondContact CA-O 3.35Å; I190-L242 HydrophobicContact CB-CB 4.19Å; I190-L242 VanDerWaalsContact CB-O 3.3Å; I190-L242 WeakPolarHBondContact CB-O 3.19Å; I190-L242 HydrophobicContact CD1-CD2 4.03Å; I190-L242 PolarHBondContact N-O 2.9Å; I190-L242 PolarHBondContact O-N 2.9Å; I190-L244 HydrophobicContact CD1-CD1 3.39Å; I190-L244 HydrophobicContact CD1-CG 3.84Å; I190-F249 HydrophobicContact CD1-CE1 4.17Å; I190-F249 HydrophobicContact CD1-CZ 3.76Å; I190-F249 HydrophobicContact CG1-CE1 4.5Å; I190-F249 HydrophobicContact CG1-CZ 3.92Å; I190-M256 HydrophobicContact CB-CE 4.4Å; I190-M256 HydrophobicContact CD1-CE 3.78Å; I190-M256 HydrophobicContact CD1-SD 3.6Å; I190-M256 VanDerWaalsContact CD1-SD 3.6Å; I190-M256 HydrophobicContact CG1-CE 3.85Å; I190-M256 HydrophobicContact CG1-SD 4.34Å; I190-M256 HydrophobicContact CG2-CE 3.68Å; I190-M256 HydrophobicContact CG2-SD 4.31Å; I190-I269 HydrophobicContact CG2-CD1 3.49Å; I190-I269 VanDerWaalsContact CG2-CD1 3.49Å |
| 191 | P | 82.7 | Confident | 69.6 | Low | 29 Ų | 29 | 59.9 Ų | 59.9 | 19% | 0.188 | 30% | 0.3 | C | S | . | . | trans | -76.1 | 77.7 | -173.9 | 29.9 | -36.6 | 0 | 0 | 0 | 112.5 | I178 L189 P193 F240 R267 I269 | I178-P191 HydrophobicContact CD1-CB 4.33Å; I178-P191 HydrophobicContact CD1-CG 3.59Å; I178-P191 HydrophobicContact CG2-CG 4.34Å; L189-P191 WeakPolarHBondContact O-CD 3.33Å; P191-P193 VanDerWaalsContact O-CD 3.32Å; P191-P193 WeakPolarHBondContact O-CD 3.32Å; P191-F240 WeakPolarHBondContact CA-O 3.48Å; P191-R267 PolarHBondContact O-NH1 3.49Å; P191-I269 HydrophobicContact CG-CD1 4.38Å | ||
| 192 | C | 83.7 | Confident | 68.4 | Low | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -109.6 | 74.1 | 163 | -61.4 | 0 | 0 | 0 | 0 | 109.8 | I190 F206 I208 Y236 G241 C258 | I190-C192 VanDerWaalsContact C-N 3.3Å; I190-C192 PolarHBondContact O-N 3.21Å; C192-F206 HydrophobicContact CB-CE2 4.38Å; C192-F206 HydrophobicContact CB-CZ 3.85Å; C192-I208 HydrophobicContact CB-CD1 4.08Å; C192-I208 HydrophobicContact CB-CG1 4.43Å; C192-Y236 VanDerWaalsContact O-CE2 3.31Å; C192-Y236 WeakPolarHBondContact O-CE2 3.44Å; C192-Y236 PolarHBondContact O-OH 2.8Å; C192-G241 WeakPolarHBondContact O-CA 3.39Å; C192-C258 VanDerWaalsContact CA-SG 3.56Å; C192-C258 HydrophobicContact CB-CB 3.67Å; C192-C258 WeakPolarHBondContact CB-SG 3.07Å; C192-C258 WeakPolarHBondContact SG-CB 3.48Å; C192-C258 CovalentContact SG-SG 2.03Å; C192-C258 PolarHBondContact SG-SG 2.91Å | ||
| 193 | P | 81.8 | Confident | 67.3 | Low | 13 Ų | 13 | 63.5 Ų | 63.5 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | trans | -70 | 152.9 | -178.6 | 30.4 | -36.5 | 0 | 0 | 0 | 112.1 | V173 P191 R239 Y260 | V173-P193 HydrophobicContact CG1-CG 3.8Å; V173-P193 HydrophobicContact CG2-CG 4.01Å; P191-P193 VanDerWaalsContact O-CD 3.32Å; P191-P193 WeakPolarHBondContact O-CD 3.32Å; P193-R239 WeakPolarHBondContact CB-O 3.04Å; P193-Y260 VanDerWaalsContact O-CE1 3.25Å; P193-Y260 WeakPolarHBondContact O-CE1 3.48Å; P193-Y260 PolarHBondContact O-OH 3.08Å | ||
| 194 | G | 77 | Confident | 66.9 | Low | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | trans | -80.3 | 146.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R101 Y236 N238 | R101-G194 VanDerWaalsContact CZ-O 3.23Å; R101-G194 PolarHBondContact NH1-O 3.2Å; R101-G194 PolarHBondContact NH2-O 3.31Å; G194-Y236 PolarHBondContact N-OH 2.86Å; G194-N238 PolarHBondContact N-O 3.26Å | ||
| 195 | L | 77.1 | Confident | 67 | Low | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -62.6 | -59 | -175.9 | -71.6 | 165.5 | 0 | 0 | 0 | 112.1 | N171 V173 Y260 Q262 M263 | N171-L195 WeakPolarHBondContact CA-O 3.42Å; V173-L195 HydrophobicContact CG2-CD2 4.21Å; L195-Y260 HydrophobicContact CD1-CD1 4.07Å; L195-Y260 HydrophobicContact CD2-CD1 4.44Å; L195-Y260 HydrophobicContact CG-CD1 3.96Å; L195-Y260 HydrophobicContact CG-CE1 4.4Å; L195-Q262 HydrophobicContact CD1-CB 4.07Å; L195-M263 HydrophobicContact CD1-CG 4.05Å; L195-M263 HydrophobicContact CD2-CE 4.44Å; L195-M263 HydrophobicContact CD2-CG 4.3Å |
| 196 | N | 72.7 | Confident | 67.6 | Low | 31 Ų | 31 | 50.7 Ų | 50.7 | 17% | 0.166 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -105.9 | -179 | 179 | 76.8 | 8.2 | 0 | 0 | 0 | 111.8 | D40 H169 N171 T198 Y199 | D40-N196 VanDerWaalsContact OD1-CA 3.26Å; D40-N196 WeakPolarHBondContact OD1-CA 3.48Å; D40-N196 WeakPolarHBondContact OD1-CB 3.27Å; H169-N196 PolarHBondContact CE1-O 3.14Å; H169-N196 VanDerWaalsContact CE1-O 3.28Å; H169-N196 PolarHBondContact ND1-O 2.74Å; H169-N196 VanDerWaalsContact ND1-O 3.14Å; N171-N196 VanDerWaalsContact OD1-CB 3.28Å; N171-N196 WeakPolarHBondContact OD1-CB 3.47Å; N196-T198 PolarHBondContact ND2-OG1 2.87Å; N196-T198 PolarHBondContact OD1-N 2.97Å; N196-T198 PolarHBondContact OD1-OG1 3.34Å; N196-Y199 WeakPolarHBondContact OD1-CD2 3.26Å; N196-Y199 PolarHBondContact OD1-N 3.2Å |
| 197 | S | 67.5 | Low | 68 | Low | 8 Ų | 8 | 46.9 Ų | 46.9 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -83.2 | -36.1 | 178.1 | 78.8 | 0 | 0 | 0 | 0 | 113.3 | Q38 D40 Y199 N238 | Q38-S197 PolarHBondContact NE2-O 3.27Å; D40-S197 VanDerWaalsContact CG-OG 3.3Å; D40-S197 PolarHBondContact OD1-N 2.87Å; D40-S197 VanDerWaalsContact OD2-CB 3.3Å; D40-S197 WeakPolarHBondContact OD2-CB 3.44Å; D40-S197 PolarHBondContact OD2-N 2.79Å; D40-S197 VanDerWaalsContact OD2-N 3.16Å; D40-S197 PolarHBondContact OD2-OG 3.47Å; S197-Y199 PolarHBondContact O-N 3.16Å; S197-Y199 VanDerWaalsContact O-N 3.08Å; S197-N238 PolarHBondContact O-ND2 3.31Å |
| 198 | T | 62.5 | Low | 68.4 | Low | 94 Ų | 94 | 45 Ų | 45 | 58% | 0.577 | 25% | 0.246 | S | C | * | . | trans | -74.3 | 6.3 | -171.9 | 47.7 | 0 | 0 | 0 | 0 | 115.6 | N196 Q200 | N196-T198 PolarHBondContact ND2-OG1 2.87Å; N196-T198 PolarHBondContact OD1-N 2.97Å; N196-T198 PolarHBondContact OD1-OG1 3.34Å; T198-Q200 PolarHBondContact O-N 3.4Å | ||
| 199 | Y | 57.8 | Low | 68.7 | Low | 26 Ų | 26 | 45.3 Ų | 45.3 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | trans | -60.7 | 100.5 | 175.5 | -116.7 | -83.8 | 0 | 0 | 0 | 112.6 | N196 S197 L205 F206 N238 Q262 | N196-Y199 WeakPolarHBondContact OD1-CD2 3.26Å; N196-Y199 PolarHBondContact OD1-N 3.2Å; S197-Y199 PolarHBondContact O-N 3.16Å; S197-Y199 VanDerWaalsContact O-N 3.08Å; Y199-L205 HydrophobicContact CE1-CB 4.27Å; Y199-L205 WeakPolarHBondContact OH-CB 3.37Å; Y199-L205 PolarHBondContact OH-O 2.83Å; Y199-F206 HydrophobicContact CE1-CB 3.81Å; Y199-F206 VanDerWaalsContact OH-CB 3.27Å; Y199-F206 WeakPolarHBondContact OH-CB 3.33Å; Y199-N238 VanDerWaalsContact CB-ND2 3.29Å; Y199-N238 WeakPolarHBondContact CB-ND2 3.19Å; Y199-N238 WeakPolarHBondContact CB-OD1 3.38Å; Y199-N238 PolarHBondContact O-ND2 3.34Å; Y199-Q262 PolarHBondContact OH-OE1 2.86Å | ||
| 200 | Q | 53.4 | Low | 68.6 | Low | 173 Ų | 173 | 46.1 Ų | 46.1 | 81% | 0.808 | 25% | 0.251 | S | S | * | . | trans | -113.5 | 103.3 | 166.9 | -72.4 | -170.7 | -29.9 | 0 | 0 | 109.9 | T198 D202 | T198-Q200 PolarHBondContact O-N 3.4Å; Q200-D202 PolarHBondContact O-N 2.91Å | ||
| 201 | E | 51.4 | Low | 68.1 | Low | 171 Ų | 171 | 47.2 Ų | 47.2 | 80% | 0.799 | 26% | 0.256 | S | S | * | . | trans | 45.5 | -12.7 | 167.9 | -63 | -151.4 | 123.9 | 0 | 0 | 122.2 | S203 K226 | E201-S203 PolarHBondContact O-N 3.09Å; E201-K226 PolarHBondContact O-NZ 3.25Å | ||
| 202 | D | 50.8 | Low | 67.2 | Low | 102 Ų | 102 | 47.9 Ų | 47.9 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | trans | -52.1 | 121 | -168.4 | -116.1 | -16.5 | 0 | 0 | 0 | 112.7 | Q200 S204 | Q200-D202 PolarHBondContact O-N 2.91Å; D202-S204 PolarHBondContact O-N 3.07Å | ||
| 203 | S | 50.6 | Low | 66 | Low | 87 Ų | 87 | 51 Ų | 51 | 61% | 0.608 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -14.3 | -171.3 | 58.4 | 0 | 0 | 0 | 0 | 113.7 | E201 K261 | E201-S203 PolarHBondContact O-N 3.09Å; S203-K261 PolarHBondContact O-NZ 3.34Å |
| 204 | S | 56.2 | Low | 64.5 | Low | 67 Ų | 67 | 54 Ų | 54 | 47% | 0.469 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -41.6 | -179.8 | 45.9 | 0 | 0 | 0 | 0 | 113.1 | D202 K261 | D202-S204 PolarHBondContact O-N 3.07Å; S204-K261 WeakPolarHBondContact O-CD 2.88Å; S204-K261 PolarHBondContact O-NZ 3.42Å |
| 205 | L | 59.9 | Low | 63.1 | Low | 62 Ų | 62 | 60.1 Ų | 60.1 | 33% | 0.325 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -21.5 | -159.6 | -60.4 | 171 | 0 | 0 | 0 | 116.2 | Y199 K261 Q262 | Y199-L205 HydrophobicContact CE1-CB 4.27Å; Y199-L205 WeakPolarHBondContact OH-CB 3.37Å; Y199-L205 PolarHBondContact OH-O 2.83Å; L205-K261 WeakPolarHBondContact O-CB 3.47Å; L205-K261 PolarHBondContact O-N 3.44Å; L205-Q262 HydrophobicContact CB-CG 4.33Å; L205-Q262 HydrophobicContact CD2-CG 3.95Å |
| 206 | F | 69.2 | Low | 61.7 | Low | 16 Ų | 16 | 69.5 Ų | 69.5 | 7% | 0.07 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 140.9 | -179.1 | 167 | -103.3 | 0 | 0 | 0 | 111.7 | C192 Y199 I208 Y236 C258 N259 Y260 | C192-F206 HydrophobicContact CB-CE2 4.38Å; C192-F206 HydrophobicContact CB-CZ 3.85Å; Y199-F206 HydrophobicContact CE1-CB 3.81Å; Y199-F206 VanDerWaalsContact OH-CB 3.27Å; Y199-F206 WeakPolarHBondContact OH-CB 3.33Å; F206-I208 HydrophobicContact CE1-CD1 3.83Å; F206-I208 HydrophobicContact CE1-CG1 3.64Å; F206-I208 HydrophobicContact CE2-CG1 4.33Å; F206-I208 HydrophobicContact CZ-CD1 3.76Å; F206-I208 HydrophobicContact CZ-CG1 3.44Å; F206-I208 VanDerWaalsContact CZ-CG1 3.44Å; F206-Y236 AromaticContact CE1-CE2 3.95Å; F206-Y236 HydrophobicContact CE1-CE2 3.95Å; F206-Y236 AromaticContact CE1-CZ 3.95Å; F206-Y236 HydrophobicContact CZ-CE2 4.24Å; F206-C258 HydrophobicContact CE2-CB 4.12Å; F206-N259 WeakPolarHBondContact CA-O 3.34Å; F206-N259 WeakPolarHBondContact CD2-O 3.39Å; F206-Y260 AromaticContact CD2-CD1 3.89Å; F206-Y260 HydrophobicContact CD2-CD1 3.89Å; F206-Y260 AromaticContact CD2-CE1 3.94Å; F206-Y260 HydrophobicContact CD2-CE1 3.94Å; F206-Y260 HydrophobicContact CE2-CD1 4.12Å; F206-Y260 AromaticContact CE2-CE1 3.72Å; F206-Y260 HydrophobicContact CE2-CE1 3.72Å |
| 207 | S | 72.3 | Confident | 60.6 | Low | 20 Ų | 20 | 72 Ų | 72 | 14% | 0.14 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 154.6 | 168 | 57.7 | 0 | 0 | 0 | 0 | 111.6 | D209 N259 | S207-D209 WeakPolarHBondContact CB-OD2 3.29Å; S207-D209 PolarHBondContact OG-OD2 3.21Å; S207-N259 PolarHBondContact N-O 3.23Å; S207-N259 PolarHBondContact O-N 3.1Å; S207-N259 WeakPolarHBondContact OG-CB 3.49Å; S207-N259 PolarHBondContact OG-ND2 3.17Å |
| 208 | I | 76 | Confident | 59.7 | Low | 14 Ų | 14 | 72 Ų | 72 | 7% | 0.072 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 123.8 | 163.7 | -61.5 | 173.4 | 0 | 0 | 0 | 105.3 | C192 F206 F225 L242 L257 | C192-I208 HydrophobicContact CB-CD1 4.08Å; C192-I208 HydrophobicContact CB-CG1 4.43Å; F206-I208 HydrophobicContact CE1-CD1 3.83Å; F206-I208 HydrophobicContact CE1-CG1 3.64Å; F206-I208 HydrophobicContact CE2-CG1 4.33Å; F206-I208 HydrophobicContact CZ-CD1 3.76Å; F206-I208 HydrophobicContact CZ-CG1 3.44Å; F206-I208 VanDerWaalsContact CZ-CG1 3.44Å; I208-F225 HydrophobicContact CB-CB 4.13Å; I208-F225 HydrophobicContact CG2-CB 4.27Å; I208-F225 WeakPolarHBondContact O-CB 3.46Å; I208-F225 PolarHBondContact O-N 2.85Å; I208-L242 HydrophobicContact CD1-CB 3.95Å; I208-L242 HydrophobicContact CD1-CD2 3.75Å; I208-L242 HydrophobicContact CD1-CG 4.29Å; I208-L257 WeakPolarHBondContact CA-O 3.27Å |
| 209 | D | 78.7 | Confident | 59.1 | Low | 19 Ų | 19 | 74.8 Ų | 74.8 | 10% | 0.102 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 150.3 | -173.9 | -54.1 | -62.4 | 0 | 0 | 0 | 109.2 | S207 W222 Y223 P224 M256 L257 | S207-D209 WeakPolarHBondContact CB-OD2 3.29Å; S207-D209 PolarHBondContact OG-OD2 3.21Å; D209-W222 HydrophobicContact CB-CB 4.42Å; D209-W222 HydrophobicContact CB-CE3 4.2Å; D209-Y223 CarbonylContact C-O 3.6Å; D209-Y223 WeakPolarHBondContact CA-O 3.38Å; D209-P224 VanDerWaalsContact OD1-CA 3.24Å; D209-P224 WeakPolarHBondContact OD1-CA 3.47Å; D209-P224 WeakPolarHBondContact OD1-CB 3.25Å; D209-M256 CarbonylContact O-C 3.59Å; D209-M256 VanDerWaalsContact O-CA 3.29Å; D209-M256 WeakPolarHBondContact O-CA 3.44Å; D209-L257 HydrophobicContact CB-CB 4.42Å; D209-L257 PolarHBondContact N-O 2.96Å; D209-L257 PolarHBondContact O-N 2.97Å |
| 210 | Y | 76.4 | Confident | 59 | Low | 29 Ų | 29 | 82.3 Ų | 82.3 | 11% | 0.114 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 156.8 | -177.1 | 72.9 | -92.6 | 0 | 0 | 0 | 113.7 | L212 Y223 F225 M253 Y255 | Y210-L212 HydrophobicContact CD2-CD2 4.26Å; Y210-L212 HydrophobicContact CD2-CG 4.36Å; Y210-L212 HydrophobicContact CE2-CD1 4.33Å; Y210-L212 HydrophobicContact CE2-CD2 3.94Å; Y210-L212 HydrophobicContact CE2-CG 3.97Å; Y210-Y223 WeakPolarHBondContact CD1-O 3.37Å; Y210-Y223 HydrophobicContact CD2-CD2 4.4Å; Y210-Y223 WeakPolarHBondContact CE1-O 3.3Å; Y210-Y223 AromaticContact CE2-CD2 3.98Å; Y210-Y223 HydrophobicContact CE2-CD2 3.98Å; Y210-Y223 HydrophobicContact CE2-CG 4.05Å; Y210-Y223 AromaticContact CZ-CG 3.99Å; Y210-Y223 PolarHBondContact N-O 3.01Å; Y210-Y223 PolarHBondContact O-N 2.99Å; Y210-F225 HydrophobicContact CD1-CD2 4.32Å; Y210-M253 HydrophobicContact CD2-CG 4.24Å; Y210-M253 HydrophobicContact CD2-SD 4.4Å; Y210-M253 HydrophobicContact CG-SD 4.32Å; Y210-Y255 WeakPolarHBondContact CA-O 3.41Å |
| 211 | Q | 72.5 | Confident | 59.2 | Low | 23 Ų | 23 | 77.9 Ų | 77.9 | 11% | 0.107 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145.2 | 180 | -166 | 177.4 | 35.6 | 0 | 0 | 112.1 | Y219 W222 M253 L254 Y255 | Q211-Y219 PolarHBondContact NE2-O 2.84Å; Q211-W222 HydrophobicContact CB-CE3 4.23Å; Q211-W222 HydrophobicContact CB-CH2 4.45Å; Q211-W222 HydrophobicContact CB-CZ3 4.12Å; Q211-M253 WeakPolarHBondContact O-CA 3.19Å; Q211-L254 PolarHBondContact O-N 2.84Å; Q211-Y255 PolarHBondContact N-O 2.85Å |
| 212 | L | 64.2 | Low | 60.1 | Low | 43 Ų | 43 | 74.8 Ų | 74.8 | 23% | 0.225 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 162.8 | 178.2 | -63.8 | 174.8 | 0 | 0 | 0 | 112.5 | Y210 Y223 P250 I252 L254 | Y210-L212 HydrophobicContact CD2-CD2 4.26Å; Y210-L212 HydrophobicContact CD2-CG 4.36Å; Y210-L212 HydrophobicContact CE2-CD1 4.33Å; Y210-L212 HydrophobicContact CE2-CD2 3.94Å; Y210-L212 HydrophobicContact CE2-CG 3.97Å; L212-Y223 HydrophobicContact CB-CE2 4.49Å; L212-Y223 HydrophobicContact CD1-CD2 4.3Å; L212-Y223 HydrophobicContact CD1-CE2 3.87Å; L212-Y223 HydrophobicContact CG-CD2 4.32Å; L212-Y223 HydrophobicContact CG-CE2 4.12Å; L212-P250 HydrophobicContact CD2-CG 4.35Å; L212-I252 CarbonylContact C-O 3.6Å; L212-I252 VanDerWaalsContact CA-O 3.26Å; L212-I252 WeakPolarHBondContact CA-O 3.18Å; L212-I252 HydrophobicContact CB-CG2 4.4Å; L212-I252 HydrophobicContact CD2-CB 4.14Å; L212-I252 HydrophobicContact CD2-CG2 4.24Å; L212-L254 WeakPolarHBondContact O-CD1 3.47Å |
| 213 | T | 58.3 | Low | 60.9 | Low | 67 Ų | 67 | 73.6 Ų | 73.6 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | trans | -42 | 151.1 | -177.9 | 48.5 | 0 | 0 | 0 | 0 | 115.4 | H215 S218 I252 L254 | T213-H215 PolarHBondContact O-N 2.65Å; T213-S218 PolarHBondContact O-OG 2.8Å; T213-I252 HydrophobicContact CG2-CB 4.45Å; T213-I252 HydrophobicContact CG2-CG2 3.65Å; T213-I252 PolarHBondContact N-O 3.27Å; T213-I252 WeakPolarHBondContact OG1-CG2 3.29Å; T213-L254 HydrophobicContact CG2-CD2 4.49Å | ||
| 214 | P | 51.2 | Low | 61.7 | Low | 75 Ų | 75 | 71.4 Ų | 71.4 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | trans | -77.3 | 80.9 | -168.6 | 33.1 | -36.7 | 0 | 0 | 0 | 113.4 | Y219 | P214-Y219 HydrophobicContact CB-CE1 4.08Å; P214-Y219 HydrophobicContact CB-CE2 3.82Å; P214-Y219 VanDerWaalsContact CB-CZ 3.5Å; P214-Y219 WeakPolarHBondContact CB-OH 3.44Å | ||
| 215 | H | 46 | Very low | 62.2 | Low | 130 Ų | 130 | 69 Ų | 69 | 60% | 0.602 | 34% | 0.338 | S | S | * | . | trans | -72.8 | 150.3 | 152.7 | -160.9 | -105.9 | 0 | 0 | 0 | 108.2 | T213 S217 S218 | T213-H215 PolarHBondContact O-N 2.65Å; H215-S217 PolarHBondContact ND1-OG 3.06Å; H215-S217 PolarHBondContact O-N 3.44Å; H215-S218 PolarHBondContact N-OG 2.04Å; H215-S218 PolarHBondContact O-N 3.24Å; H215-S218 PolarHBondContact O-OG 2.99Å; H215-S218 VanDerWaalsContact O-OG 3.07Å | ||
| 216 | K | 47.9 | Very low | 62.1 | Low | 202 Ų | 202 | 70.7 Ų | 70.7 | 88% | 0.878 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -20.9 | -178.1 | -79.3 | -172.9 | 173.5 | -177.2 | 0 | 113.8 | ||
| 217 | S | 50.3 | Low | 61.2 | Low | 83 Ų | 83 | 76.9 Ų | 76.9 | 58% | 0.58 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -5.2 | 176 | 55.1 | 0 | 0 | 0 | 0 | 115.7 | H215 | H215-S217 PolarHBondContact ND1-OG 3.06Å; H215-S217 PolarHBondContact O-N 3.44Å |
| 218 | S | 49.3 | Very low | 59.9 | Low | 9 Ų | 9 | 80.8 Ų | 80.8 | 6% | 0.063 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -8.3 | -176 | 63.2 | 0 | 0 | 0 | 0 | 115.1 | T213 H215 Q220 L221 | T213-S218 PolarHBondContact O-OG 2.8Å; H215-S218 PolarHBondContact N-OG 2.04Å; H215-S218 PolarHBondContact O-N 3.24Å; H215-S218 PolarHBondContact O-OG 2.99Å; H215-S218 VanDerWaalsContact O-OG 3.07Å; S218-Q220 PolarHBondContact O-N 3.48Å; S218-L221 PolarHBondContact O-N 2.94Å |
| 219 | Y | 48.2 | Very low | 58.2 | Low | 153 Ų | 153 | 89.3 Ų | 89.3 | 60% | 0.6 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.3 | 179.6 | -80.5 | -81.1 | 0 | 0 | 0 | 114.7 | Q211 P214 | Q211-Y219 PolarHBondContact NE2-O 2.84Å; P214-Y219 HydrophobicContact CB-CE1 4.08Å; P214-Y219 HydrophobicContact CB-CE2 3.82Å; P214-Y219 VanDerWaalsContact CB-CZ 3.5Å; P214-Y219 WeakPolarHBondContact CB-OH 3.44Å |
| 220 | Q | 55.4 | Low | 56.5 | Low | 184 Ų | 184 | 97.4 Ų | 97.4 | 86% | 0.86 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -0.3 | 179.1 | -67.5 | 176.7 | -28.4 | 0 | 0 | 113.9 | S218 | S218-Q220 PolarHBondContact O-N 3.48Š|
| 221 | L | 59.4 | Low | 55.2 | Low | 79 Ų | 79 | 99.8 Ų | 99.8 | 41% | 0.414 | 48% | 0.481 | S | S | . | . | trans | -98.1 | 99.6 | -172.8 | -69.4 | 175 | 0 | 0 | 0 | 112.2 | S218 Y223 | S218-L221 PolarHBondContact O-N 2.94Å; L221-Y223 HydrophobicContact CB-CE2 3.96Å | ||
| 222 | W | 68.5 | Low | 54.1 | Low | 107 Ų | 107 | 100.3 Ų | 100.3 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 131.2 | 162.8 | -71.4 | 99.5 | 0 | 0 | 0 | 110.2 | D209 Q211 L257 | D209-W222 HydrophobicContact CB-CB 4.42Å; D209-W222 HydrophobicContact CB-CE3 4.2Å; Q211-W222 HydrophobicContact CB-CE3 4.23Å; Q211-W222 HydrophobicContact CB-CH2 4.45Å; Q211-W222 HydrophobicContact CB-CZ3 4.12Å; W222-L257 HydrophobicContact CD2-CD2 4.42Å; W222-L257 HydrophobicContact CE3-CB 4.14Å; W222-L257 HydrophobicContact CE3-CD2 4.41Å; W222-L257 HydrophobicContact CH2-CB 3.97Å; W222-L257 HydrophobicContact CH2-CD1 4.35Å; W222-L257 HydrophobicContact CH2-CD2 4.36Å; W222-L257 HydrophobicContact CH2-CG 4.49Å; W222-L257 HydrophobicContact CZ2-CD2 4.35Å; W222-L257 HydrophobicContact CZ3-CB 3.64Å; W222-L257 HydrophobicContact CZ3-CD2 4.4Å |
| 223 | Y | 68.2 | Low | 53.6 | Low | 76 Ų | 76 | 106.2 Ų | 106.2 | 30% | 0.298 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122.9 | -178.8 | -64.2 | -85.7 | 0 | 0 | 0 | 110.5 | D209 Y210 L212 L221 | D209-Y223 CarbonylContact C-O 3.6Å; D209-Y223 WeakPolarHBondContact CA-O 3.38Å; Y210-Y223 WeakPolarHBondContact CD1-O 3.37Å; Y210-Y223 HydrophobicContact CD2-CD2 4.4Å; Y210-Y223 WeakPolarHBondContact CE1-O 3.3Å; Y210-Y223 AromaticContact CE2-CD2 3.98Å; Y210-Y223 HydrophobicContact CE2-CD2 3.98Å; Y210-Y223 HydrophobicContact CE2-CG 4.05Å; Y210-Y223 AromaticContact CZ-CG 3.99Å; Y210-Y223 PolarHBondContact N-O 3.01Å; Y210-Y223 PolarHBondContact O-N 2.99Å; L212-Y223 HydrophobicContact CB-CE2 4.49Å; L212-Y223 HydrophobicContact CD1-CD2 4.3Å; L212-Y223 HydrophobicContact CD1-CE2 3.87Å; L212-Y223 HydrophobicContact CG-CD2 4.32Å; L212-Y223 HydrophobicContact CG-CE2 4.12Å; L221-Y223 HydrophobicContact CB-CE2 3.96Å |
| 224 | P | 68.7 | Low | 53.9 | Low | 41 Ų | 41 | 107.6 Ų | 107.6 | 27% | 0.266 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 129.1 | -177.5 | 30 | -35.2 | 0 | 0 | 0 | 112.4 | D209 K226 Q227 | D209-P224 VanDerWaalsContact OD1-CA 3.24Å; D209-P224 WeakPolarHBondContact OD1-CA 3.47Å; D209-P224 WeakPolarHBondContact OD1-CB 3.25Å; P224-K226 PolarHBondContact O-N 3.22Å; P224-K226 VanDerWaalsContact O-N 3.13Å; P224-Q227 VanDerWaalsContact CG-CD 3.48Å; P224-Q227 HydrophobicContact CG-CG 3.85Å; P224-Q227 PolarHBondContact O-N 3.1Å |
| 225 | F | 65.9 | Low | 54.7 | Low | 18 Ų | 18 | 109.5 Ų | 109.5 | 8% | 0.079 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -60.8 | -27.3 | -177.5 | -153.2 | -87.2 | 0 | 0 | 0 | 112.9 | I208 Y210 Q227 I232 Y234 L242 L244 | I208-F225 HydrophobicContact CB-CB 4.13Å; I208-F225 HydrophobicContact CG2-CB 4.27Å; I208-F225 WeakPolarHBondContact O-CB 3.46Å; I208-F225 PolarHBondContact O-N 2.85Å; Y210-F225 HydrophobicContact CD1-CD2 4.32Å; F225-Q227 PolarHBondContact O-N 3.36Å; F225-Q227 VanDerWaalsContact O-N 3.16Å; F225-I232 HydrophobicContact CE1-CG2 3.91Å; F225-I232 HydrophobicContact CZ-CD1 4.32Å; F225-I232 HydrophobicContact CZ-CG2 3.85Å; F225-Y234 HydrophobicContact CD1-CD1 4.27Å; F225-Y234 HydrophobicContact CD1-CE1 4.47Å; F225-Y234 AromaticContact CE1-CD1 3.82Å; F225-Y234 HydrophobicContact CE1-CD1 3.82Å; F225-Y234 HydrophobicContact CE1-CE1 4.45Å; F225-Y234 HydrophobicContact CE1-CG 4.14Å; F225-L242 HydrophobicContact CD1-CD2 4.11Å; F225-L242 HydrophobicContact CE1-CD2 3.93Å; F225-L242 HydrophobicContact CE2-CD2 4.38Å; F225-L242 HydrophobicContact CG-CD2 4.43Å; F225-L242 HydrophobicContact CZ-CD2 4.09Å; F225-L244 HydrophobicContact CE1-CD2 3.98Å; F225-L244 HydrophobicContact CE2-CD1 3.89Å; F225-L244 HydrophobicContact CZ-CD1 3.54Å; F225-L244 HydrophobicContact CZ-CD2 3.59Å; F225-L244 HydrophobicContact CZ-CG 4.19Å |
| 226 | K | 57.7 | Low | 56.1 | Low | 96 Ų | 96 | 106.2 Ų | 106.2 | 42% | 0.417 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -69.9 | -0.3 | 178.7 | -82.5 | -172.3 | 171.4 | -179.7 | 0 | 115.1 | E201 P224 | E201-K226 PolarHBondContact O-NZ 3.25Å; P224-K226 PolarHBondContact O-N 3.22Å; P224-K226 VanDerWaalsContact O-N 3.13Å |
| 227 | Q | 49.6 | Very low | 57.2 | Low | 147 Ų | 147 | 97.4 Ų | 97.4 | 69% | 0.687 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -89.3 | -17.6 | -178.2 | -80 | -178.3 | -8.9 | 0 | 0 | 116.3 | P224 F225 K229 | P224-Q227 VanDerWaalsContact CG-CD 3.48Å; P224-Q227 HydrophobicContact CG-CG 3.85Å; P224-Q227 PolarHBondContact O-N 3.1Å; F225-Q227 PolarHBondContact O-N 3.36Å; F225-Q227 VanDerWaalsContact O-N 3.16Å; Q227-K229 VanDerWaalsContact C-N 3.31Å; Q227-K229 PolarHBondContact O-N 3.13Å |
| 228 | F | 45 | Very low | 58.4 | Low | 102 Ų | 102 | 94.4 Ų | 94.4 | 45% | 0.447 | 43% | 0.43 | S | S | . | . | trans | -82.8 | 62.5 | -178.7 | -81.4 | -66 | 0 | 0 | 0 | 114.4 | H230 S231 I232 | F228-H230 PolarHBondContact O-N 2.91Å; F228-S231 WeakPolarHBondContact CD1-OG 3.28Å; F228-S231 PolarHBondContact O-N 3.33Å; F228-I232 HydrophobicContact CB-CB 4.5Å; F228-I232 HydrophobicContact CB-CD1 4.03Å; F228-I232 HydrophobicContact CB-CG1 4.11Å; F228-I232 HydrophobicContact CD2-CD1 3.78Å; F228-I232 HydrophobicContact CG-CD1 4.05Å; F228-I232 HydrophobicContact CG-CG1 4.45Å | ||
| 229 | K | 40.6 | Very low | 59.5 | Low | 192 Ų | 192 | 96 Ų | 96 | 84% | 0.835 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -14.8 | -175.5 | -85.6 | -172.9 | 172.2 | -178.2 | 0 | 117 | Q227 | Q227-K229 VanDerWaalsContact C-N 3.31Å; Q227-K229 PolarHBondContact O-N 3.13Å |
| 230 | H | 42.9 | Very low | 60.7 | Low | 189 Ų | 189 | 89.3 Ų | 89.3 | 88% | 0.875 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.5 | 8.1 | -175 | -69.7 | -26.3 | 0 | 0 | 0 | 116.2 | F228 | F228-H230 PolarHBondContact O-N 2.91Š|
| 231 | S | 48.5 | Very low | 61.8 | Low | 80 Ų | 80 | 80.6 Ų | 80.6 | 56% | 0.559 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.4 | -16.7 | -171.8 | 57.2 | 0 | 0 | 0 | 0 | 117.6 | F228 | F228-S231 WeakPolarHBondContact CD1-OG 3.28Å; F228-S231 PolarHBondContact O-N 3.33Å |
| 232 | I | 50.1 | Low | 62.7 | Low | 33 Ų | 33 | 77 Ų | 77 | 17% | 0.169 | 35% | 0.349 | C | S | . | . | trans | -122 | 103.3 | -177.9 | -57.9 | 179.6 | 0 | 0 | 0 | 110 | F225 F228 Y234 L244 Q248 | F225-I232 HydrophobicContact CE1-CG2 3.91Å; F225-I232 HydrophobicContact CZ-CD1 4.32Å; F225-I232 HydrophobicContact CZ-CG2 3.85Å; F228-I232 HydrophobicContact CB-CB 4.5Å; F228-I232 HydrophobicContact CB-CD1 4.03Å; F228-I232 HydrophobicContact CB-CG1 4.11Å; F228-I232 HydrophobicContact CD2-CD1 3.78Å; F228-I232 HydrophobicContact CG-CD1 4.05Å; F228-I232 HydrophobicContact CG-CG1 4.45Å; I232-Y234 HydrophobicContact CG2-CD1 4.34Å; I232-Y234 WeakPolarHBondContact O-CD1 3.19Å; I232-Y234 PolarHBondContact O-N 3.44Å; I232-L244 HydrophobicContact CG2-CD2 4.14Å; I232-Q248 HydrophobicContact CG2-CB 4.14Å; I232-Q248 HydrophobicContact CG2-CG 4.07Å | ||
| 233 | Q | 54.9 | Low | 63.2 | Low | 168 Ų | 168 | 72.4 Ų | 72.4 | 79% | 0.785 | 33% | 0.333 | S | S | * | . | trans | -75.1 | 99.9 | 165.3 | -74.4 | -172.9 | -59.3 | 0 | 0 | 109.5 | Q248 | Q233-Q248 PolarHBondContact O-NE2 2.71Å; Q233-Q248 PolarHBondContact O-OE1 2.93Å | ||
| 234 | Y | 63.3 | Low | 63.3 | Low | 95 Ų | 95 | 69.1 Ų | 69.1 | 37% | 0.373 | 32% | 0.32 | S | S | . | . | trans | -105.4 | 156.9 | 170.3 | 62.2 | -93.1 | 0 | 0 | 0 | 110.9 | F225 I232 L242 L244 | F225-Y234 HydrophobicContact CD1-CD1 4.27Å; F225-Y234 HydrophobicContact CD1-CE1 4.47Å; F225-Y234 AromaticContact CE1-CD1 3.82Å; F225-Y234 HydrophobicContact CE1-CD1 3.82Å; F225-Y234 HydrophobicContact CE1-CE1 4.45Å; F225-Y234 HydrophobicContact CE1-CG 4.14Å; I232-Y234 HydrophobicContact CG2-CD1 4.34Å; I232-Y234 WeakPolarHBondContact O-CD1 3.19Å; I232-Y234 PolarHBondContact O-N 3.44Å; Y234-L242 HydrophobicContact CD2-CD1 3.42Å; Y234-L242 VanDerWaalsContact CD2-CD1 3.42Å; Y234-L242 HydrophobicContact CE2-CD1 4.25Å; Y234-L242 HydrophobicContact CG-CD1 3.8Å; Y234-L244 VanDerWaalsContact CB-CD2 3.45Å | ||
| 235 | Y | 69 | Low | 63.2 | Low | 116 Ų | 116 | 71.4 Ų | 71.4 | 46% | 0.455 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 135.2 | 168 | 176 | -110.3 | 0 | 0 | 0 | 108.3 | D237 F240 L242 C243 | Y235-D237 HydrophobicContact CE1-CB 4.1Å; Y235-F240 HydrophobicContact CE1-CE2 4.34Å; Y235-F240 HydrophobicContact CE1-CZ 4.16Å; Y235-L242 CarbonylContact O-C 3.6Å; Y235-C243 HydrophobicContact CD1-CB 4.5Å; Y235-C243 PolarHBondContact N-O 2.85Å; Y235-C243 VanDerWaalsContact N-O 3.14Å; Y235-C243 PolarHBondContact O-N 3.47Å |
| 236 | Y | 74 | Confident | 62.8 | Low | 60 Ų | 60 | 72.9 Ų | 72.9 | 24% | 0.235 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 130.7 | 179.9 | 179.5 | -99.2 | 0 | 0 | 0 | 109.8 | C192 G194 F206 N238 G241 L242 | C192-Y236 VanDerWaalsContact O-CE2 3.31Å; C192-Y236 WeakPolarHBondContact O-CE2 3.44Å; C192-Y236 PolarHBondContact O-OH 2.8Å; G194-Y236 PolarHBondContact N-OH 2.86Å; F206-Y236 AromaticContact CE1-CE2 3.95Å; F206-Y236 HydrophobicContact CE1-CE2 3.95Å; F206-Y236 AromaticContact CE1-CZ 3.95Å; F206-Y236 HydrophobicContact CZ-CE2 4.24Å; Y236-N238 VanDerWaalsContact CE1-OD1 3.24Å; Y236-N238 WeakPolarHBondContact CE1-OD1 3.25Å; Y236-G241 WeakPolarHBondContact CA-O 3.12Å; Y236-L242 HydrophobicContact CD2-CB 4.1Å; Y236-L242 HydrophobicContact CD2-CD1 4.33Å |
| 237 | D | 72.2 | Confident | 62.9 | Low | 18 Ų | 18 | 73.5 Ų | 73.5 | 10% | 0.096 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.6 | 177.3 | -170.6 | -52.7 | 0 | 0 | 0 | 109.2 | Y235 R239 F240 G241 | Y235-D237 HydrophobicContact CE1-CB 4.1Å; D237-R239 PolarHBondContact O-N 3.4Å; D237-R239 WeakPolarHBondContact OD1-CB 3.42Å; D237-R239 VanDerWaalsContact OD1-CG 3.27Å; D237-R239 WeakPolarHBondContact OD1-CG 3.14Å; D237-R239 IonicContact OD1-CZ 2.74Å; D237-R239 PolarHBondContact OD1-N 2.84Å; D237-R239 IonicContact OD1-NE 2.6Å; D237-R239 PolarHBondContact OD1-NE 3.42Å; D237-R239 IonicContact OD1-NH2 2.81Å; D237-R239 IonicContact OD2-CZ 2.68Å; D237-R239 IonicContact OD2-NE 3.22Å; D237-R239 PolarHBondContact OD2-NE 3.31Å; D237-R239 IonicContact OD2-NH2 3.79Å; D237-R239 PolarHBondContact OD2-NH2 3.42Å; D237-F240 HydrophobicContact CB-CD1 4.2Å; D237-F240 HydrophobicContact CB-CD2 3.89Å; D237-F240 HydrophobicContact CB-CE1 3.79Å; D237-F240 HydrophobicContact CB-CE2 3.46Å; D237-F240 VanDerWaalsContact CB-CE2 3.46Å; D237-F240 HydrophobicContact CB-CG 4.26Å; D237-F240 HydrophobicContact CB-CZ 3.41Å; D237-F240 VanDerWaalsContact CB-CZ 3.41Å; D237-F240 PolarHBondContact O-N 3.06Å; D237-G241 PolarHBondContact N-O 3.01Å; D237-G241 PolarHBondContact O-N 3.49Å |
| 238 | N | 74.6 | Confident | 63.6 | Low | 19 Ų | 19 | 67.9 Ų | 67.9 | 10% | 0.102 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -25.3 | -178.5 | -68.4 | -18.2 | 0 | 0 | 0 | 112.6 | R101 G194 S197 Y199 Y236 | R101-N238 PolarHBondContact NH2-O 2.87Å; G194-N238 PolarHBondContact N-O 3.26Å; S197-N238 PolarHBondContact O-ND2 3.31Å; Y199-N238 VanDerWaalsContact CB-ND2 3.29Å; Y199-N238 WeakPolarHBondContact CB-ND2 3.19Å; Y199-N238 WeakPolarHBondContact CB-OD1 3.38Å; Y199-N238 PolarHBondContact O-ND2 3.34Å; Y236-N238 VanDerWaalsContact CE1-OD1 3.24Å; Y236-N238 WeakPolarHBondContact CE1-OD1 3.25Å |
| 239 | R | 72 | Confident | 64.5 | Low | 44 Ų | 44 | 63.7 Ų | 63.7 | 17% | 0.166 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -46.6 | -177.8 | -61.7 | 174.2 | -68.4 | 168 | 0.6 | 112.4 | F167 P193 D237 | F167-R239 HydrophobicContact CD1-CG 3.85Å; F167-R239 HydrophobicContact CD2-CB 4.36Å; F167-R239 HydrophobicContact CD2-CG 3.96Å; F167-R239 HydrophobicContact CE1-CB 4.06Å; F167-R239 HydrophobicContact CE1-CG 3.8Å; F167-R239 HydrophobicContact CE2-CB 3.81Å; F167-R239 HydrophobicContact CE2-CG 3.9Å; F167-R239 HydrophobicContact CG-CG 3.93Å; F167-R239 HydrophobicContact CZ-CB 3.64Å; F167-R239 HydrophobicContact CZ-CG 3.83Å; P193-R239 WeakPolarHBondContact CB-O 3.04Å; D237-R239 PolarHBondContact O-N 3.4Å; D237-R239 WeakPolarHBondContact OD1-CB 3.42Å; D237-R239 VanDerWaalsContact OD1-CG 3.27Å; D237-R239 WeakPolarHBondContact OD1-CG 3.14Å; D237-R239 IonicContact OD1-CZ 2.74Å; D237-R239 PolarHBondContact OD1-N 2.84Å; D237-R239 IonicContact OD1-NE 2.6Å; D237-R239 PolarHBondContact OD1-NE 3.42Å; D237-R239 IonicContact OD1-NH2 2.81Å; D237-R239 IonicContact OD2-CZ 2.68Å; D237-R239 IonicContact OD2-NE 3.22Å; D237-R239 PolarHBondContact OD2-NE 3.31Å; D237-R239 IonicContact OD2-NH2 3.79Å; D237-R239 PolarHBondContact OD2-NH2 3.42Å |
| 240 | F | 73.7 | Confident | 65.3 | Low | 12 Ų | 12 | 57.1 Ų | 57.1 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123 | -31.6 | -168.6 | 47.5 | -105 | 0 | 0 | 0 | 115.8 | E124 L189 P191 Y235 D237 | E124-F240 WeakPolarHBondContact OE1-CB 3.44Å; L189-F240 HydrophobicContact CD1-CB 4.46Å; L189-F240 HydrophobicContact CD1-CD2 3.73Å; L189-F240 HydrophobicContact CD2-CB 4.1Å; L189-F240 HydrophobicContact CD2-CD2 4.41Å; P191-F240 WeakPolarHBondContact CA-O 3.48Å; Y235-F240 HydrophobicContact CE1-CE2 4.34Å; Y235-F240 HydrophobicContact CE1-CZ 4.16Å; D237-F240 HydrophobicContact CB-CD1 4.2Å; D237-F240 HydrophobicContact CB-CD2 3.89Å; D237-F240 HydrophobicContact CB-CE1 3.79Å; D237-F240 HydrophobicContact CB-CE2 3.46Å; D237-F240 VanDerWaalsContact CB-CE2 3.46Å; D237-F240 HydrophobicContact CB-CG 4.26Å; D237-F240 HydrophobicContact CB-CZ 3.41Å; D237-F240 VanDerWaalsContact CB-CZ 3.41Å; D237-F240 PolarHBondContact O-N 3.06Å |
| 241 | G | 78.8 | Confident | 66 | Low | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 125.3 | -144.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | C192 Y236 D237 | C192-G241 WeakPolarHBondContact O-CA 3.39Å; Y236-G241 WeakPolarHBondContact CA-O 3.12Å; D237-G241 PolarHBondContact N-O 3.01Å; D237-G241 PolarHBondContact O-N 3.49Å |
| 242 | L | 78.5 | Confident | 66.8 | Low | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 112.1 | -166.9 | -178.5 | 76.7 | 0 | 0 | 0 | 111.7 | I190 I208 F225 Y234 Y235 Y236 L244 | I190-L242 WeakPolarHBondContact CA-O 3.35Å; I190-L242 HydrophobicContact CB-CB 4.19Å; I190-L242 VanDerWaalsContact CB-O 3.3Å; I190-L242 WeakPolarHBondContact CB-O 3.19Å; I190-L242 HydrophobicContact CD1-CD2 4.03Å; I190-L242 PolarHBondContact N-O 2.9Å; I190-L242 PolarHBondContact O-N 2.9Å; I208-L242 HydrophobicContact CD1-CB 3.95Å; I208-L242 HydrophobicContact CD1-CD2 3.75Å; I208-L242 HydrophobicContact CD1-CG 4.29Å; F225-L242 HydrophobicContact CD1-CD2 4.11Å; F225-L242 HydrophobicContact CE1-CD2 3.93Å; F225-L242 HydrophobicContact CE2-CD2 4.38Å; F225-L242 HydrophobicContact CG-CD2 4.43Å; F225-L242 HydrophobicContact CZ-CD2 4.09Å; Y234-L242 HydrophobicContact CD2-CD1 3.42Å; Y234-L242 VanDerWaalsContact CD2-CD1 3.42Å; Y234-L242 HydrophobicContact CE2-CD1 4.25Å; Y234-L242 HydrophobicContact CG-CD1 3.8Å; Y235-L242 CarbonylContact O-C 3.6Å; Y236-L242 HydrophobicContact CD2-CB 4.1Å; Y236-L242 HydrophobicContact CD2-CD1 4.33Å; L242-L244 HydrophobicContact CD2-CD2 4.31Å; L242-L244 HydrophobicContact CD2-CG 4.39Å; L242-L244 HydrophobicContact CG-CD2 4.26Å; L242-L244 HydrophobicContact CG-CG 4.42Å |
| 243 | C | 78.2 | Confident | 67.6 | Low | 10 Ų | 10 | 57.4 Ų | 57.4 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 127 | 176 | -89.6 | 0 | 0 | 0 | 0 | 112.7 | C130 Y235 | C130-C243 WeakPolarHBondContact CA-SG 3.49Å; C130-C243 HydrophobicContact CB-CB 3.78Å; C130-C243 WeakPolarHBondContact CB-SG 3.03Å; C130-C243 WeakPolarHBondContact SG-CB 3.47Å; C130-C243 CovalentContact SG-SG 2.03Å; C130-C243 PolarHBondContact SG-SG 2.88Å; Y235-C243 HydrophobicContact CD1-CB 4.5Å; Y235-C243 PolarHBondContact N-O 2.85Å; Y235-C243 VanDerWaalsContact N-O 3.14Å; Y235-C243 PolarHBondContact O-N 3.47Å |
| 244 | L | 71 | Confident | 68.4 | Low | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 154.7 | 178.6 | -62.5 | -172 | 0 | 0 | 0 | 112.5 | M188 I190 F225 I232 Y234 L242 F249 | M188-L244 PolarHBondContact N-O 3.11Å; M188-L244 PolarHBondContact O-N 2.85Å; I190-L244 HydrophobicContact CD1-CD1 3.39Å; I190-L244 HydrophobicContact CD1-CG 3.84Å; F225-L244 HydrophobicContact CE1-CD2 3.98Å; F225-L244 HydrophobicContact CE2-CD1 3.89Å; F225-L244 HydrophobicContact CZ-CD1 3.54Å; F225-L244 HydrophobicContact CZ-CD2 3.59Å; F225-L244 HydrophobicContact CZ-CG 4.19Å; I232-L244 HydrophobicContact CG2-CD2 4.14Å; Y234-L244 VanDerWaalsContact CB-CD2 3.45Å; L242-L244 HydrophobicContact CD2-CD2 4.31Å; L242-L244 HydrophobicContact CD2-CG 4.39Å; L242-L244 HydrophobicContact CG-CD2 4.26Å; L242-L244 HydrophobicContact CG-CG 4.42Å; L244-F249 HydrophobicContact CB-CD2 4.4Å; L244-F249 HydrophobicContact CB-CE2 3.74Å; L244-F249 HydrophobicContact CB-CZ 4.43Å; L244-F249 HydrophobicContact CD1-CD2 4.38Å; L244-F249 HydrophobicContact CD1-CE2 3.92Å; L244-F249 HydrophobicContact CD1-CZ 4.08Å; L244-F249 HydrophobicContact CG-CE2 4.43Å |
| 245 | L | 67.7 | Low | 69.2 | Low | 89 Ų | 89 | 51.9 Ų | 51.9 | 47% | 0.466 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 142.1 | 164.7 | -66.3 | 173.3 | 0 | 0 | 0 | 109.8 | P187 S247 Q248 | P187-L245 HydrophobicContact CB-CD2 4.48Å; L245-S247 PolarHBondContact O-N 3.02Å; L245-Q248 VanDerWaalsContact O-CB 3.29Å; L245-Q248 WeakPolarHBondContact O-CB 3.19Å; L245-Q248 PolarHBondContact O-N 2.88Å |
| 246 | K | 56.6 | Low | 69.8 | Low | 50 Ų | 50 | 46.3 Ų | 46.3 | 22% | 0.217 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -53.9 | -26.9 | 179.9 | -162.4 | -161.8 | 173.5 | -173.9 | 0 | 114.5 | I182 I183 Q248 F249 | I182-K246 HydrophobicContact CG2-CD 4.46Å; I182-K246 HydrophobicContact CG2-CG 4.34Å; I183-K246 WeakPolarHBondContact O-CD 3.48Å; K246-Q248 PolarHBondContact O-N 3.03Å; K246-Q248 VanDerWaalsContact O-N 3.16Å; K246-F249 PolarHBondContact O-N 3.24Å |
| 247 | S | 60.3 | Low | 70.3 | Confident | 109 Ų | 109 | 44 Ų | 44 | 76% | 0.762 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -61.5 | -15.3 | 173.9 | 45.1 | 0 | 0 | 0 | 0 | 114.4 | L245 | L245-S247 PolarHBondContact O-N 3.02Š|
| 248 | Q | 63.2 | Low | 71 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 13% | 0.131 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -97.9 | -11.3 | -177.4 | -59.6 | 161.7 | -21.5 | 0 | 0 | 112.7 | I232 Q233 L245 K246 P250 | I232-Q248 HydrophobicContact CG2-CB 4.14Å; I232-Q248 HydrophobicContact CG2-CG 4.07Å; Q233-Q248 PolarHBondContact O-NE2 2.71Å; Q233-Q248 PolarHBondContact O-OE1 2.93Å; L245-Q248 VanDerWaalsContact O-CB 3.29Å; L245-Q248 WeakPolarHBondContact O-CB 3.19Å; L245-Q248 PolarHBondContact O-N 2.88Å; K246-Q248 PolarHBondContact O-N 3.03Å; K246-Q248 VanDerWaalsContact O-N 3.16Å; Q248-P250 VanDerWaalsContact O-CD 3.26Å; Q248-P250 WeakPolarHBondContact O-CD 3.5Å |
| 249 | F | 63.8 | Low | 71.4 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -85.7 | 110.9 | 173.7 | -76 | -97.8 | 0 | 0 | 0 | 110.5 | I182 M188 I190 L244 K246 M253 M256 W273 | I182-F249 HydrophobicContact CD1-CD1 4.39Å; M188-F249 HydrophobicContact CB-CE2 4.04Å; M188-F249 HydrophobicContact CB-CZ 4.31Å; M188-F249 HydrophobicContact SD-CE2 4.19Å; M188-F249 HydrophobicContact SD-CZ 4.42Å; I190-F249 HydrophobicContact CD1-CE1 4.17Å; I190-F249 HydrophobicContact CD1-CZ 3.76Å; I190-F249 HydrophobicContact CG1-CE1 4.5Å; I190-F249 HydrophobicContact CG1-CZ 3.92Å; L244-F249 HydrophobicContact CB-CD2 4.4Å; L244-F249 HydrophobicContact CB-CE2 3.74Å; L244-F249 HydrophobicContact CB-CZ 4.43Å; L244-F249 HydrophobicContact CD1-CD2 4.38Å; L244-F249 HydrophobicContact CD1-CE2 3.92Å; L244-F249 HydrophobicContact CD1-CZ 4.08Å; L244-F249 HydrophobicContact CG-CE2 4.43Å; K246-F249 PolarHBondContact O-N 3.24Å; F249-M253 HydrophobicContact CD1-CE 3.62Å; F249-M253 HydrophobicContact CE1-CE 3.81Å; F249-M256 HydrophobicContact CE1-CE 4.38Å; F249-M256 HydrophobicContact CE1-SD 4.47Å; F249-W273 HydrophobicContact CB-CH2 4.14Å; F249-W273 HydrophobicContact CB-CZ2 4.35Å |
| 250 | P | 57.2 | Low | 71.8 | Confident | 54 Ų | 54 | 41.7 Ų | 41.7 | 35% | 0.351 | 21% | 0.206 | S | C | . | . | trans | -67.6 | 138 | 169.4 | 28 | -31.7 | 0 | 0 | 0 | 109.6 | L212 Q248 I252 M253 W273 | L212-P250 HydrophobicContact CD2-CG 4.35Å; Q248-P250 VanDerWaalsContact O-CD 3.26Å; Q248-P250 WeakPolarHBondContact O-CD 3.5Å; P250-I252 PolarHBondContact O-N 2.99Å; P250-M253 HydrophobicContact CG-CB 4.32Å; P250-M253 PolarHBondContact O-N 2.64Å; P250-W273 WeakPolarHBondContact O-CZ2 3.39Å | ||
| 251 | R | 59.1 | Low | 71.9 | Confident | 212 Ų | 212 | 45.6 Ų | 45.6 | 80% | 0.8 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | 6.4 | 176.1 | -65.5 | -169.7 | -174 | 179.1 | 4.7 | 115.4 | W273 | R251-W273 HydrophobicContact CB-CH2 4.41Å; R251-W273 HydrophobicContact CG-CH2 4.11Å; R251-W273 HydrophobicContact CG-CZ3 4.02Å |
| 252 | I | 63.8 | Low | 71.5 | Confident | 86 Ų | 86 | 49.8 Ų | 49.8 | 44% | 0.441 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -4.1 | -163.8 | -45.7 | -179.7 | 0 | 0 | 0 | 109.3 | L212 T213 P250 | L212-I252 CarbonylContact C-O 3.6Å; L212-I252 VanDerWaalsContact CA-O 3.26Å; L212-I252 WeakPolarHBondContact CA-O 3.18Å; L212-I252 HydrophobicContact CB-CG2 4.4Å; L212-I252 HydrophobicContact CD2-CB 4.14Å; L212-I252 HydrophobicContact CD2-CG2 4.24Å; T213-I252 HydrophobicContact CG2-CB 4.45Å; T213-I252 HydrophobicContact CG2-CG2 3.65Å; T213-I252 PolarHBondContact N-O 3.27Å; T213-I252 WeakPolarHBondContact OG1-CG2 3.29Å; P250-I252 PolarHBondContact O-N 2.99Å |
| 253 | M | 67.7 | Low | 71.1 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 128 | -179.7 | -165 | 177.3 | 77.5 | 0 | 0 | 111.7 | Y210 Q211 F249 P250 M256 P271 | Y210-M253 HydrophobicContact CD2-CG 4.24Å; Y210-M253 HydrophobicContact CD2-SD 4.4Å; Y210-M253 HydrophobicContact CG-SD 4.32Å; Q211-M253 WeakPolarHBondContact O-CA 3.19Å; F249-M253 HydrophobicContact CD1-CE 3.62Å; F249-M253 HydrophobicContact CE1-CE 3.81Å; P250-M253 HydrophobicContact CG-CB 4.32Å; P250-M253 PolarHBondContact O-N 2.64Å; M253-M256 HydrophobicContact CE-CE 3.95Å; M253-M256 HydrophobicContact CE-CG 3.54Å; M253-M256 HydrophobicContact CE-SD 3.43Å; M253-M256 WeakPolarHBondContact CE-SD 3.34Å; M253-M256 HydrophobicContact SD-CG 3.6Å; M253-M256 VanDerWaalsContact SD-CG 3.6Å; M253-M256 HydrophobicContact SD-SD 3.87Å; M253-P271 HydrophobicContact CE-CB 4.31Å; M253-P271 HydrophobicContact CE-CG 3.87Å |
| 254 | L | 72.3 | Confident | 71 | Confident | 59 Ų | 59 | 60.3 Ų | 60.3 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -44.5 | -180 | -64 | 176.9 | 0 | 0 | 0 | 112.9 | Q211 L212 T213 P271 | Q211-L254 PolarHBondContact O-N 2.84Å; L212-L254 WeakPolarHBondContact O-CD1 3.47Å; T213-L254 HydrophobicContact CG2-CD2 4.49Å; L254-P271 WeakPolarHBondContact O-CD 3.25Å |
| 255 | Y | 80.3 | Confident | 71.3 | Confident | 88 Ų | 88 | 64.1 Ų | 64.1 | 35% | 0.345 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 155.4 | -173.7 | -60.2 | -73.6 | 0 | 0 | 0 | 110.5 | Y210 Q211 I268 Q270 | Y210-Y255 WeakPolarHBondContact CA-O 3.41Å; Q211-Y255 PolarHBondContact N-O 2.85Å; Y255-I268 HydrophobicContact CD1-CG2 4.06Å; Y255-Q270 HydrophobicContact CD1-CB 4.25Å; Y255-Q270 HydrophobicContact CD1-CG 4.14Å; Y255-Q270 HydrophobicContact CE1-CB 4.35Å; Y255-Q270 HydrophobicContact CE1-CG 3.91Å |
| 256 | M | 81 | Confident | 72 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 157.5 | 160.7 | -58.8 | 174.7 | -62.8 | 0 | 0 | 109.8 | L180 I190 D209 F249 M253 I269 | L180-M256 HydrophobicContact CD2-CE 4.33Å; I190-M256 HydrophobicContact CB-CE 4.4Å; I190-M256 HydrophobicContact CD1-CE 3.78Å; I190-M256 HydrophobicContact CD1-SD 3.6Å; I190-M256 VanDerWaalsContact CD1-SD 3.6Å; I190-M256 HydrophobicContact CG1-CE 3.85Å; I190-M256 HydrophobicContact CG1-SD 4.34Å; I190-M256 HydrophobicContact CG2-CE 3.68Å; I190-M256 HydrophobicContact CG2-SD 4.31Å; D209-M256 CarbonylContact O-C 3.59Å; D209-M256 VanDerWaalsContact O-CA 3.29Å; D209-M256 WeakPolarHBondContact O-CA 3.44Å; F249-M256 HydrophobicContact CE1-CE 4.38Å; F249-M256 HydrophobicContact CE1-SD 4.47Å; M253-M256 HydrophobicContact CE-CE 3.95Å; M253-M256 HydrophobicContact CE-CG 3.54Å; M253-M256 HydrophobicContact CE-SD 3.43Å; M253-M256 WeakPolarHBondContact CE-SD 3.34Å; M253-M256 HydrophobicContact SD-CG 3.6Å; M253-M256 VanDerWaalsContact SD-CG 3.6Å; M253-M256 HydrophobicContact SD-SD 3.87Å; M256-I269 HydrophobicContact CB-CB 4.36Å; M256-I269 HydrophobicContact CE-CB 4.04Å; M256-I269 HydrophobicContact CE-CG2 3.68Å; M256-I269 PolarHBondContact N-O 2.83Å; M256-I269 PolarHBondContact O-N 3.07Å |
| 257 | L | 84.7 | Confident | 73.3 | Confident | 10 Ų | 10 | 63.6 Ų | 63.6 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 115.3 | -173.8 | -166.2 | 72.5 | 0 | 0 | 0 | 108.7 | I208 D209 W222 Q266 R267 I268 | I208-L257 WeakPolarHBondContact CA-O 3.27Å; D209-L257 HydrophobicContact CB-CB 4.42Å; D209-L257 PolarHBondContact N-O 2.96Å; D209-L257 PolarHBondContact O-N 2.97Å; W222-L257 HydrophobicContact CD2-CD2 4.42Å; W222-L257 HydrophobicContact CE3-CB 4.14Å; W222-L257 HydrophobicContact CE3-CD2 4.41Å; W222-L257 HydrophobicContact CH2-CB 3.97Å; W222-L257 HydrophobicContact CH2-CD1 4.35Å; W222-L257 HydrophobicContact CH2-CD2 4.36Å; W222-L257 HydrophobicContact CH2-CG 4.49Å; W222-L257 HydrophobicContact CZ2-CD2 4.35Å; W222-L257 HydrophobicContact CZ3-CB 3.64Å; W222-L257 HydrophobicContact CZ3-CD2 4.4Å; L257-Q266 HydrophobicContact CD1-CB 3.88Å; L257-Q266 HydrophobicContact CD1-CG 4.46Å; L257-Q266 HydrophobicContact CG-CB 4.33Å; L257-R267 WeakPolarHBondContact CA-O 3.35Å; L257-I268 HydrophobicContact CD1-CG1 3.89Å |
| 258 | C | 86.4 | Confident | 74.5 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 116.4 | 164.8 | -34.2 | 0 | 0 | 0 | 0 | 107.4 | C192 F206 Y260 Q266 R267 | C192-C258 VanDerWaalsContact CA-SG 3.56Å; C192-C258 HydrophobicContact CB-CB 3.67Å; C192-C258 WeakPolarHBondContact CB-SG 3.07Å; C192-C258 WeakPolarHBondContact SG-CB 3.48Å; C192-C258 CovalentContact SG-SG 2.03Å; C192-C258 PolarHBondContact SG-SG 2.91Å; F206-C258 HydrophobicContact CE2-CB 4.12Å; C258-Y260 HydrophobicContact CB-CD2 4.38Å; C258-Y260 HydrophobicContact CB-CE2 3.64Å; C258-Q266 CarbonylContact O-C 3.49Å; C258-Q266 WeakPolarHBondContact O-CA 3.29Å; C258-R267 HydrophobicContact CB-CB 3.95Å; C258-R267 PolarHBondContact N-O 2.96Å; C258-R267 PolarHBondContact O-N 3.37Å |
| 259 | N | 83.4 | Confident | 75.6 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 16% | 0.16 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 105.4 | -173.8 | -177.1 | -6.4 | 0 | 0 | 0 | 110.6 | F206 S207 K261 | F206-N259 WeakPolarHBondContact CA-O 3.34Å; F206-N259 WeakPolarHBondContact CD2-O 3.39Å; S207-N259 PolarHBondContact N-O 3.23Å; S207-N259 PolarHBondContact O-N 3.1Å; S207-N259 WeakPolarHBondContact OG-CB 3.49Å; S207-N259 PolarHBondContact OG-ND2 3.17Å; N259-K261 PolarHBondContact O-N 2.85Å |
| 260 | Y | 81.1 | Confident | 76.5 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 73.6 | -174.5 | -65.2 | -77.8 | 0 | 0 | 0 | 110.7 | M175 P193 L195 F206 C258 Q262 M263 N264 E265 R267 | M175-Y260 HydrophobicContact CE-CD2 3.53Å; M175-Y260 HydrophobicContact CE-CE2 3.95Å; M175-Y260 HydrophobicContact CE-CG 4.08Å; M175-Y260 HydrophobicContact SD-CD2 3.84Å; M175-Y260 HydrophobicContact SD-CE2 3.99Å; P193-Y260 VanDerWaalsContact O-CE1 3.25Å; P193-Y260 WeakPolarHBondContact O-CE1 3.48Å; P193-Y260 PolarHBondContact O-OH 3.08Å; L195-Y260 HydrophobicContact CD1-CD1 4.07Å; L195-Y260 HydrophobicContact CD2-CD1 4.44Å; L195-Y260 HydrophobicContact CG-CD1 3.96Å; L195-Y260 HydrophobicContact CG-CE1 4.4Å; F206-Y260 AromaticContact CD2-CD1 3.89Å; F206-Y260 HydrophobicContact CD2-CD1 3.89Å; F206-Y260 AromaticContact CD2-CE1 3.94Å; F206-Y260 HydrophobicContact CD2-CE1 3.94Å; F206-Y260 HydrophobicContact CE2-CD1 4.12Å; F206-Y260 AromaticContact CE2-CE1 3.72Å; F206-Y260 HydrophobicContact CE2-CE1 3.72Å; C258-Y260 HydrophobicContact CB-CD2 4.38Å; C258-Y260 HydrophobicContact CB-CE2 3.64Å; Y260-Q262 PolarHBondContact O-N 3.03Å; Y260-M263 PolarHBondContact O-N 2.83Å; Y260-N264 PolarHBondContact O-N 3.32Å; Y260-E265 WeakPolarHBondContact CB-O 3.32Å; Y260-E265 PolarHBondContact N-O 3.1Å; Y260-E265 PolarHBondContact O-N 3.37Å; Y260-R267 HydrophobicContact CE2-CB 4.09Å |
| 261 | K | 74.3 | Confident | 77.5 | Confident | 95 Ų | 95 | 60.5 Ų | 60.5 | 41% | 0.413 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -25.5 | -173.4 | -57.5 | 166.3 | 175.4 | 174.9 | 0 | 114.3 | S203 S204 L205 N259 M263 | S203-K261 PolarHBondContact O-NZ 3.34Å; S204-K261 WeakPolarHBondContact O-CD 2.88Å; S204-K261 PolarHBondContact O-NZ 3.42Å; L205-K261 WeakPolarHBondContact O-CB 3.47Å; L205-K261 PolarHBondContact O-N 3.44Å; N259-K261 PolarHBondContact O-N 2.85Å; K261-M263 VanDerWaalsContact C-N 3.35Å |
| 262 | Q | 70.8 | Confident | 78.3 | Confident | 88 Ų | 88 | 53.9 Ų | 53.9 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -31.1 | 174.3 | -71.9 | 176.5 | -50.6 | 0 | 0 | 113.9 | L195 Y199 L205 Y260 | L195-Q262 HydrophobicContact CD1-CB 4.07Å; Y199-Q262 PolarHBondContact OH-OE1 2.86Å; L205-Q262 HydrophobicContact CB-CG 4.33Å; L205-Q262 HydrophobicContact CD2-CG 3.95Å; Y260-Q262 PolarHBondContact O-N 3.03Å |
| 263 | M | 70.4 | Confident | 78.6 | Confident | 85 Ų | 85 | 53.5 Ų | 53.5 | 42% | 0.419 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -9.2 | 176.4 | -61.9 | -56.4 | -150.4 | 0 | 0 | 112.7 | N171 L195 Y260 K261 E265 | N171-M263 WeakPolarHBondContact O-CE 3.45Å; L195-M263 HydrophobicContact CD1-CG 4.05Å; L195-M263 HydrophobicContact CD2-CE 4.44Å; L195-M263 HydrophobicContact CD2-CG 4.3Å; Y260-M263 PolarHBondContact O-N 2.83Å; K261-M263 VanDerWaalsContact C-N 3.35Å; M263-E265 HydrophobicContact CB-CB 4.07Å; M263-E265 HydrophobicContact CB-CG 3.92Å; M263-E265 PolarHBondContact O-N 3.05Å |
| 264 | N | 75.6 | Confident | 78.1 | Confident | 150 Ų | 150 | 56.4 Ų | 56.4 | 80% | 0.802 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 28.6 | -167.3 | -156.4 | 37.5 | 0 | 0 | 0 | 113.4 | Y260 | Y260-N264 PolarHBondContact O-N 3.32Š|
| 265 | E | 77 | Confident | 77.1 | Confident | 86 Ų | 86 | 61.7 Ų | 61.7 | 40% | 0.402 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 158.4 | -176.9 | -70.8 | -174.6 | 135.2 | 0 | 0 | 112.4 | M175 Y260 M263 | M175-E265 HydrophobicContact CE-CB 3.83Å; M175-E265 WeakPolarHBondContact CE-OE2 3.37Å; M175-E265 HydrophobicContact CG-CB 4.11Å; M175-E265 HydrophobicContact SD-CB 4.21Å; Y260-E265 WeakPolarHBondContact CB-O 3.32Å; Y260-E265 PolarHBondContact N-O 3.1Å; Y260-E265 PolarHBondContact O-N 3.37Å; M263-E265 HydrophobicContact CB-CB 4.07Å; M263-E265 HydrophobicContact CB-CG 3.92Å; M263-E265 PolarHBondContact O-N 3.05Å |
| 266 | Q | 82.3 | Confident | 75.5 | Confident | 105 Ų | 105 | 66.6 Ų | 66.6 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 140.7 | -177.7 | -61.9 | 179.1 | -1.8 | 0 | 0 | 111.6 | L257 C258 | L257-Q266 HydrophobicContact CD1-CB 3.88Å; L257-Q266 HydrophobicContact CD1-CG 4.46Å; L257-Q266 HydrophobicContact CG-CB 4.33Å; C258-Q266 CarbonylContact O-C 3.49Å; C258-Q266 WeakPolarHBondContact O-CA 3.29Å |
| 267 | R | 84.7 | Confident | 73.7 | Confident | 23 Ų | 23 | 72.2 Ų | 72.2 | 9% | 0.087 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121 | 176.5 | -167.4 | -175.9 | -150.3 | -154.6 | 3.4 | 110 | T174 M175 I178 P191 L257 C258 Y260 | T174-R267 PolarHBondContact O-NE 2.99Å; T174-R267 PolarHBondContact O-NH2 2.04Å; T174-R267 PolarHBondContact OG1-NH2 3.45Å; M175-R267 HydrophobicContact SD-CB 4.01Å; I178-R267 HydrophobicContact CD1-CG 4.39Å; P191-R267 PolarHBondContact O-NH1 3.49Å; L257-R267 WeakPolarHBondContact CA-O 3.35Å; C258-R267 HydrophobicContact CB-CB 3.95Å; C258-R267 PolarHBondContact N-O 2.96Å; C258-R267 PolarHBondContact O-N 3.37Å; Y260-R267 HydrophobicContact CE2-CB 4.09Å |
| 268 | I | 85.6 | Confident | 72.1 | Confident | 65 Ų | 65 | 79.1 Ų | 79.1 | 33% | 0.333 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 135.2 | -177.9 | -59.3 | 172.7 | 0 | 0 | 0 | 110.3 | T177 I178 Y255 L257 | T177-I268 WeakPolarHBondContact CA-O 3.28Å; T177-I268 HydrophobicContact CG2-CB 4.23Å; T177-I268 HydrophobicContact CG2-CG2 4.11Å; I178-I268 PolarHBondContact N-O 2.82Å; Y255-I268 HydrophobicContact CD1-CG2 4.06Å; L257-I268 HydrophobicContact CD1-CG1 3.89Å |
| 269 | I | 85.8 | Confident | 70.8 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 120 | 175.4 | -54 | -177.7 | 0 | 0 | 0 | 109 | I178 L180 I190 P191 M256 P271 | I178-I269 HydrophobicContact CB-CG1 4.39Å; I178-I269 HydrophobicContact CD1-CD1 4.16Å; I178-I269 HydrophobicContact CD1-CG1 3.98Å; I178-I269 WeakPolarHBondContact O-CA 3.35Å; L180-I269 HydrophobicContact CB-CG2 4.1Å; L180-I269 HydrophobicContact CD2-CG2 4.14Å; I190-I269 HydrophobicContact CG2-CD1 3.49Å; I190-I269 VanDerWaalsContact CG2-CD1 3.49Å; P191-I269 HydrophobicContact CG-CD1 4.38Å; M256-I269 HydrophobicContact CB-CB 4.36Å; M256-I269 HydrophobicContact CE-CB 4.04Å; M256-I269 HydrophobicContact CE-CG2 3.68Å; M256-I269 PolarHBondContact N-O 2.83Å; M256-I269 PolarHBondContact O-N 3.07Å; I269-P271 WeakPolarHBondContact O-CD 3.47Å |
| 270 | Q | 84 | Confident | 70 | Confident | 64 Ų | 64 | 84.6 Ų | 84.6 | 30% | 0.299 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 105.1 | -176.5 | -170.4 | 177.6 | 9.7 | 0 | 0 | 110.8 | I178 H179 L180 Y255 I272 | I178-Q270 PolarHBondContact O-N 3.08Å; H179-Q270 PolarHBondContact CE1-OE1 3.07Å; H179-Q270 PolarHBondContact ND1-OE1 3.1Å; L180-Q270 PolarHBondContact N-O 2.81Å; Y255-Q270 HydrophobicContact CD1-CB 4.25Å; Y255-Q270 HydrophobicContact CD1-CG 4.14Å; Y255-Q270 HydrophobicContact CE1-CB 4.35Å; Y255-Q270 HydrophobicContact CE1-CG 3.91Å; Q270-I272 PolarHBondContact O-N 3.3Å |
| 271 | P | 78.1 | Confident | 69.7 | Low | 11 Ų | 11 | 86.4 Ų | 86.4 | 7% | 0.071 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 126.5 | 173.2 | 25.7 | -36.3 | 0 | 0 | 0 | 112.8 | L180 I182 M253 L254 I269 | L180-P271 WeakPolarHBondContact O-CA 3.46Å; I182-P271 HydrophobicContact CD1-CB 3.55Å; I182-P271 HydrophobicContact CG1-CB 4.31Å; M253-P271 HydrophobicContact CE-CB 4.31Å; M253-P271 HydrophobicContact CE-CG 3.87Å; L254-P271 WeakPolarHBondContact O-CD 3.25Å; I269-P271 WeakPolarHBondContact O-CD 3.47Å |
| 272 | I | 75.7 | Confident | 69.9 | Low | 74 Ų | 74 | 82 Ų | 82 | 38% | 0.379 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 116.8 | 172 | -61.9 | -176.2 | 0 | 0 | 0 | 109.2 | H179 L180 I182 Q270 | H179-I272 HydrophobicContact CB-CD1 3.83Å; H179-I272 HydrophobicContact CB-CG1 4.46Å; L180-I272 PolarHBondContact O-N 2.94Å; I182-I272 WeakPolarHBondContact CB-O 3.28Å; I182-I272 PolarHBondContact N-O 3.34Å; Q270-I272 PolarHBondContact O-N 3.3Å |
| 273 | W | 68.6 | Low | 70.4 | Confident | 77 Ų | 77 | 79.7 Ų | 79.7 | 29% | 0.292 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -97 | 136.7 | 176.8 | -68.9 | 93.3 | 0 | 0 | 0 | 111.2 | I182 F249 P250 R251 | I182-W273 HydrophobicContact CB-CE3 4.38Å; I182-W273 HydrophobicContact CD1-CD2 3.71Å; I182-W273 HydrophobicContact CD1-CE3 4.09Å; I182-W273 HydrophobicContact CD1-CG 4.27Å; I182-W273 HydrophobicContact CD1-CH2 3.88Å; I182-W273 HydrophobicContact CD1-CZ2 3.46Å; I182-W273 VanDerWaalsContact CD1-CZ2 3.46Å; I182-W273 HydrophobicContact CD1-CZ3 4.18Å; I182-W273 HydrophobicContact CG2-CE3 4.03Å; I182-W273 HydrophobicContact CG2-CH2 4.22Å; I182-W273 HydrophobicContact CG2-CZ3 3.8Å; F249-W273 HydrophobicContact CB-CH2 4.14Å; F249-W273 HydrophobicContact CB-CZ2 4.35Å; P250-W273 WeakPolarHBondContact O-CZ2 3.39Å; R251-W273 HydrophobicContact CB-CH2 4.41Å; R251-W273 HydrophobicContact CG-CH2 4.11Å; R251-W273 HydrophobicContact CG-CZ3 4.02Å |
| 274 | P | 58.5 | Low | 70.9 | Confident | 72 Ų | 72 | 75.9 Ų | 75.9 | 47% | 0.468 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 140.9 | 175.3 | 27.7 | -34.5 | 0 | 0 | 0 | 112.1 | ||
| 275 | L | 50.5 | Low | 70.9 | Confident | 169 Ų | 169 | 69.9 Ų | 69.9 | 89% | 0.885 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -51 | 153.8 | -177.9 | -73.4 | 160.1 | 0 | 0 | 0 | 114.4 | ||
| 276 | Q | 47 | Very low | 70.8 | Confident | 192 Ų | 192 | 66 Ų | 66 | 90% | 0.897 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -72.8 | 151.8 | 173 | -59.5 | -166 | 21.2 | 0 | 0 | 111.3 | ||
| 277 | S | 43.1 | Very low | 70.2 | Confident | 118 Ų | 118 | 64 Ų | 64 | 83% | 0.825 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -71 | 138.3 | -178.1 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 278 | L | 51 | Low | 69.5 | Low | 155 Ų | 155 | 65 Ų | 65 | 81% | 0.812 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 154.4 | -179.7 | -67 | 82.8 | 0 | 0 | 0 | 112.7 | I280 | L278-I280 WeakPolarHBondContact O-CG1 3.38Å; L278-I280 PolarHBondContact O-N 3Å |
| 279 | V | 59.5 | Low | 68.5 | Low | 76 Ų | 76 | 66.3 Ų | 66.3 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 125.5 | 167.9 | -166.4 | 0 | 0 | 0 | 0 | 108.6 | A426 P427 | V279-A426 HydrophobicContact CG1-CB 3.68Å; V279-P427 VanDerWaalsContact O-CD 3.31Å; V279-P427 WeakPolarHBondContact O-CD 3.02Å |
| 280 | I | 66 | Low | 67.2 | Low | 69 Ų | 69 | 70 Ų | 70 | 35% | 0.354 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -94.2 | 133.8 | -169.8 | -47.2 | 177.5 | 0 | 0 | 0 | 109.8 | L278 Y326 Q328 I331 | L278-I280 WeakPolarHBondContact O-CG1 3.38Å; L278-I280 PolarHBondContact O-N 3Å; I280-Y326 VanDerWaalsContact O-CE1 3.22Å; I280-Y326 WeakPolarHBondContact O-CE1 3.43Å; I280-Y326 PolarHBondContact O-OH 2.8Å; I280-Q328 HydrophobicContact CD1-CB 4.3Å; I280-Q328 HydrophobicContact CD1-CG 3.75Å; I280-Q328 VanDerWaalsContact CD1-NE2 3.35Å; I280-I331 HydrophobicContact CB-CD1 4.09Å |
| 281 | S | 75 | Confident | 65.9 | Low | 41 Ų | 41 | 70.3 Ų | 70.3 | 29% | 0.287 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -71 | 155.6 | 172.1 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | Y326 P427 | S281-Y326 WeakPolarHBondContact O-CE1 3.4Å; S281-P427 WeakPolarHBondContact CB-O 3.3Å |
| 282 | P | 78.9 | Confident | 64.6 | Low | 2 Ų | 2 | 77.8 Ų | 77.8 | 1% | 0.013 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 140.1 | 176.6 | 27 | -32.8 | 0 | 0 | 0 | 111.4 | I284 Y326 L339 V419 S429 | P282-I284 PolarHBondContact O-N 2.95Å; P282-Y326 HydrophobicContact CB-CD2 4.43Å; P282-Y326 HydrophobicContact CB-CE1 4.45Å; P282-Y326 HydrophobicContact CB-CE2 3.87Å; P282-Y326 WeakPolarHBondContact CD-OH 3.27Å; P282-L339 HydrophobicContact CB-CD2 4.16Å; P282-L339 HydrophobicContact CG-CD2 4.27Å; P282-V419 HydrophobicContact CB-CG1 4.4Å; P282-V419 HydrophobicContact CG-CB 4.18Å; P282-V419 HydrophobicContact CG-CG1 3.86Å; P282-S429 VanDerWaalsContact O-CB 3.26Å; P282-S429 WeakPolarHBondContact O-CB 3.4Å; P282-S429 PolarHBondContact O-OG 2.72Å |
| 283 | I | 81.6 | Confident | 62.8 | Low | 39 Ų | 39 | 82.5 Ų | 82.5 | 20% | 0.2 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 116.2 | 172.9 | -56.4 | 175.2 | 0 | 0 | 0 | 108.1 | S325 | I283-S325 PolarHBondContact N-O 2.88Å; I283-S325 PolarHBondContact O-N 2.88Å; I283-S325 PolarHBondContact O-OG 3.16Å |
| 284 | I | 80.5 | Confident | 60.8 | Low | 5 Ų | 5 | 86.2 Ų | 86.2 | 3% | 0.026 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 123.6 | 176.3 | -55.4 | 170.8 | 0 | 0 | 0 | 110.6 | P282 I286 C322 I323 V419 S429 R431 | P282-I284 PolarHBondContact O-N 2.95Å; I284-I286 HydrophobicContact CG2-CD1 4.32Å; I284-I286 HydrophobicContact CG2-CG1 3.93Å; I284-C322 WeakPolarHBondContact CG2-SG 3.08Å; I284-I323 CarbonylContact C-O 3.48Å; I284-I323 VanDerWaalsContact CA-O 3.31Å; I284-I323 WeakPolarHBondContact CA-O 3.34Å; I284-V419 HydrophobicContact CD1-CB 3.83Å; I284-V419 HydrophobicContact CD1-CG2 3.6Å; I284-V419 HydrophobicContact CG1-CB 3.99Å; I284-V419 HydrophobicContact CG1-CG2 3.69Å; I284-S429 VanDerWaalsContact CD1-C 3.45Å; I284-S429 WeakPolarHBondContact CD1-O 3.46Å; I284-S429 WeakPolarHBondContact CD1-OG 3.42Å; I284-R431 HydrophobicContact CB-CG 3.62Å; I284-R431 HydrophobicContact CD1-CG 4.21Å; I284-R431 HydrophobicContact CG2-CB 4.11Å; I284-R431 HydrophobicContact CG2-CG 3.59Å |
| 285 | H | 75 | Confident | 59.4 | Low | 25 Ų | 25 | 91.6 Ų | 91.6 | 12% | 0.116 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 144.1 | 165.6 | -55.7 | -71.1 | 0 | 0 | 0 | 109.4 | Y287 L301 I323 | H285-Y287 HydrophobicContact CB-CE2 3.92Å; H285-L301 PolarHBondContact CE1-O 2.73Å; H285-L301 PolarHBondContact ND1-O 2.85Å; H285-I323 HydrophobicContact CB-CB 4.44Å; H285-I323 PolarHBondContact N-O 2.8Å; H285-I323 PolarHBondContact O-N 3.41Å |
| 286 | I | 76.1 | Confident | 58.3 | Low | 5 Ų | 5 | 92.3 Ų | 92.3 | 3% | 0.026 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 139.9 | 174.1 | -47.5 | -174 | 0 | 0 | 0 | 111 | I284 I321 C322 C417 R431 I433 | I284-I286 HydrophobicContact CG2-CD1 4.32Å; I284-I286 HydrophobicContact CG2-CG1 3.93Å; I286-I321 VanDerWaalsContact CA-O 3.31Å; I286-I321 WeakPolarHBondContact CA-O 3.44Å; I286-I321 WeakPolarHBondContact CG2-O 3.46Å; I286-C322 HydrophobicContact CD1-CB 4.39Å; I286-C322 HydrophobicContact CG1-CB 4.25Å; I286-C417 HydrophobicContact CD1-CB 3.83Å; I286-R431 HydrophobicContact CD1-CB 3.56Å; I286-R431 HydrophobicContact CD1-CG 4.25Å; I286-R431 HydrophobicContact CG1-CB 4.36Å; I286-I433 HydrophobicContact CB-CD1 4.33Å; I286-I433 HydrophobicContact CD1-CD1 3.75Å; I286-I433 HydrophobicContact CD1-CG1 3.95Å; I286-I433 HydrophobicContact CG2-CD1 3.67Å |
| 287 | Y | 69.4 | Low | 57.5 | Low | 62 Ų | 62 | 86.4 Ų | 86.4 | 24% | 0.243 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 148.5 | 179.2 | -55.1 | -100.5 | 0 | 0 | 0 | 109.9 | H285 Y299 L320 I321 I323 | H285-Y287 HydrophobicContact CB-CE2 3.92Å; Y287-Y299 WeakPolarHBondContact CE1-O 3.33Å; Y287-L320 WeakPolarHBondContact O-CA 3.43Å; Y287-I321 PolarHBondContact N-O 3.22Å; Y287-I321 PolarHBondContact O-N 3.28Å; Y287-I323 HydrophobicContact CD2-CD1 4Å; Y287-I323 HydrophobicContact CD2-CG1 4.12Å; Y287-I323 HydrophobicContact CE2-CD1 3.49Å; Y287-I323 VanDerWaalsContact CE2-CD1 3.49Å; Y287-I323 HydrophobicContact CE2-CG1 3.85Å |
| 288 | L | 70.2 | Confident | 56.9 | Low | 44 Ų | 44 | 85.5 Ų | 85.5 | 23% | 0.23 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 143.3 | 165.5 | -90.7 | 68.1 | 0 | 0 | 0 | 109 | F309 L318 R319 L320 | L288-F309 HydrophobicContact CD1-CD2 3.96Å; L288-F309 HydrophobicContact CD1-CE1 4.39Å; L288-F309 HydrophobicContact CD1-CE2 3.81Å; L288-F309 HydrophobicContact CD1-CG 4.3Å; L288-F309 HydrophobicContact CD1-CZ 4.04Å; L288-F309 HydrophobicContact CD2-CB 4.11Å; L288-F309 HydrophobicContact CD2-CD1 4.29Å; L288-F309 HydrophobicContact CD2-CD2 4.37Å; L288-F309 HydrophobicContact CD2-CG 4.02Å; L288-L318 HydrophobicContact CD2-CD1 4.26Å; L288-R319 CarbonylContact C-O 3.57Å; L288-R319 WeakPolarHBondContact CA-O 3.41Å; L288-L320 HydrophobicContact CD1-CD2 3.8Å; L288-L320 HydrophobicContact CD1-CG 4.22Å; L288-L320 HydrophobicContact CG-CD2 4.34Å; L288-L320 HydrophobicContact CG-CG 4.32Å |
| 289 | Q | 64.6 | Low | 56.2 | Low | 92 Ų | 92 | 80.6 Ų | 80.6 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 128.9 | 174.7 | 172 | 175.9 | 24 | 0 | 0 | 109.7 | R319 | Q289-R319 HydrophobicContact CB-CB 4.13Å; Q289-R319 HydrophobicContact CB-CG 4.48Å; Q289-R319 PolarHBondContact N-O 2.91Å; Q289-R319 PolarHBondContact O-N 3.48Å |
| 290 | S | 57.2 | Low | 55 | Low | 78 Ų | 78 | 84.4 Ų | 84.4 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 145.1 | 167.3 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 291 | I | 57.6 | Low | 53.5 | Low | 71 Ų | 71 | 82 Ų | 82 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -101.7 | 17.3 | -172.1 | -62.6 | 169.7 | 0 | 0 | 0 | 111.8 | L317 R319 | I291-L317 HydrophobicContact CD1-CB 4.25Å; I291-L317 HydrophobicContact CD1-CD2 3.58Å; I291-L317 HydrophobicContact CD1-CG 4.5Å; I291-R319 HydrophobicContact CD1-CB 3.98Å; I291-R319 HydrophobicContact CG1-CB 4.23Å |
| 292 | K | 50.4 | Low | 51.5 | Low | 167 Ų | 167 | 86.1 Ų | 86.1 | 73% | 0.726 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -133.4 | 136.2 | 166.5 | -73.2 | -162.2 | 169.5 | -159.2 | 0 | 111.9 | ||
| 293 | E | 37.8 | Very low | 49.4 | Very low | 173 Ų | 173 | 90.9 Ų | 90.9 | 81% | 0.808 | 44% | 0.442 | S | S | * | . | S | Bend | trans | 43.7 | 105.6 | 162.7 | -75.1 | 153.4 | -147.9 | 0 | 0 | 118.5 | ||
| 294 | I | 27.5 | Very low | 47.2 | Very low | 156 Ų | 156 | 92.2 Ų | 92.2 | 80% | 0.8 | 45% | 0.449 | S | S | * | . | trans | 42.9 | 103.2 | 143.6 | -47.9 | 173.7 | 0 | 0 | 0 | 116.7 | ||||
| 295 | E | 28.3 | Very low | 45.9 | Very low | 184 Ų | 184 | 95.2 Ų | 95.2 | 86% | 0.86 | 47% | 0.47 | S | S | * | . | -170.4 | 175.5 | 91.2 | -146.4 | 159.2 | -127 | 0 | 0 | 111.5 | |||||
| 296 | Y | 27.1 | Very low | 45 | Very low | 184 Ų | 184 | 95 Ų | 95 | 72% | 0.722 | 47% | 0.469 | S | S | * | . | trans | -80.7 | 146.5 | 177.9 | -83.9 | -99.3 | 0 | 0 | 0 | 112.3 | ||||
| 297 | T | 31.4 | Very low | 44.3 | Very low | 69 Ų | 69 | 95.4 Ų | 95.4 | 42% | 0.423 | 47% | 0.471 | S | S | . | . | 179.4 | 157.7 | 125.4 | 32.7 | 0 | 0 | 0 | 0 | 113.9 | Q494 | T297-Q494 VanDerWaalsContact CB-NE2 3.31Å; T297-Q494 HydrophobicContact CG2-CG 4.27Å; T297-Q494 VanDerWaalsContact CG2-NE2 3.28Å; T297-Q494 VanDerWaalsContact CG2-OE1 3.26Å; T297-Q494 VanDerWaalsContact OG1-CG 3.3Å; T297-Q494 WeakPolarHBondContact OG1-CG 2.99Å; T297-Q494 PolarHBondContact OG1-NE2 2.84Å; T297-Q494 VanDerWaalsContact OG1-NE2 3.12Å | |||
| 298 | T | 30.7 | Very low | 44.2 | Very low | 98 Ų | 98 | 94.3 Ų | 94.3 | 60% | 0.601 | 47% | 0.47 | S | S | * | . | trans | -112.9 | 114.6 | -173.2 | 41.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 299 | Y | 34.8 | Very low | 44.2 | Very low | 53 Ų | 53 | 93.7 Ų | 93.7 | 21% | 0.208 | 47% | 0.465 | C | S | . | . | trans | -102 | 115.9 | 179.1 | -75.3 | -71.1 | 0 | 0 | 0 | 113.1 | Y287 L301 Q494 P495 P518 W525 | Y287-Y299 WeakPolarHBondContact CE1-O 3.33Å; Y299-L301 PolarHBondContact O-N 2.88Å; Y299-Q494 VanDerWaalsContact CZ-NE2 3.35Å; Y299-Q494 WeakPolarHBondContact OH-CA 3.44Å; Y299-Q494 VanDerWaalsContact OH-CB 3.29Å; Y299-Q494 WeakPolarHBondContact OH-CB 3.13Å; Y299-Q494 WeakPolarHBondContact OH-CG 3.49Å; Y299-Q494 PolarHBondContact OH-NE2 3.44Å; Y299-P495 HydrophobicContact CE1-CG 4.21Å; Y299-P495 WeakPolarHBondContact OH-CD 3.43Å; Y299-P495 WeakPolarHBondContact OH-CG 2.98Å; Y299-P495 PolarHBondContact OH-O 3.3Å; Y299-P495 VanDerWaalsContact OH-O 3.07Å; Y299-P518 HydrophobicContact CE1-CG 4.3Å; Y299-W525 AromaticContact CD1-CH2 3.51Å; Y299-W525 HydrophobicContact CD1-CH2 3.51Å; Y299-W525 AromaticContact CD1-CZ3 3.38Å; Y299-W525 HydrophobicContact CD1-CZ3 3.38Å; Y299-W525 HydrophobicContact CD2-CH2 4.01Å; Y299-W525 AromaticContact CE1-CH2 3.77Å; Y299-W525 HydrophobicContact CE1-CH2 3.77Å; Y299-W525 AromaticContact CE1-CZ3 3.65Å; Y299-W525 HydrophobicContact CE1-CZ3 3.65Å; Y299-W525 HydrophobicContact CE2-CH2 4.24Å; Y299-W525 AromaticContact CG-CH2 3.62Å; Y299-W525 HydrophobicContact CG-CH2 3.62Å; Y299-W525 AromaticContact CG-CZ3 3.95Å; Y299-W525 HydrophobicContact CG-CZ3 3.95Å | ||
| 300 | K | 34.5 | Very low | 44.5 | Very low | 156 Ų | 156 | 91.8 Ų | 91.8 | 68% | 0.678 | 45% | 0.454 | S | S | * | . | trans | -86.3 | 102.3 | -175.9 | -164 | 173.2 | -170.8 | 172 | 0 | 111.6 | ||||
| 301 | L | 35.9 | Very low | 45.2 | Very low | 19 Ų | 19 | 88.6 Ų | 88.6 | 10% | 0.099 | 43% | 0.43 | C | S | . | . | trans | -95.2 | 138.9 | -176 | -109.9 | 161 | 0 | 0 | 0 | 112.9 | H285 Y299 L307 R520 | H285-L301 PolarHBondContact CE1-O 2.73Å; H285-L301 PolarHBondContact ND1-O 2.85Å; Y299-L301 PolarHBondContact O-N 2.88Å; L301-L307 HydrophobicContact CD1-CD1 4.02Å; L301-L307 HydrophobicContact CD1-CD2 3.82Å; L301-L307 HydrophobicContact CD2-CD1 4.32Å; L301-L307 HydrophobicContact CD2-CD2 3.91Å; L301-R520 HydrophobicContact CD1-CB 4.48Å; L301-R520 HydrophobicContact CD2-CB 4.03Å; L301-R520 VanDerWaalsContact CD2-O 3.3Å; L301-R520 WeakPolarHBondContact CD2-O 3.39Å; L301-R520 HydrophobicContact CG-CB 4.29Å | ||
| 302 | M | 31.2 | Very low | 45.6 | Very low | 126 Ų | 126 | 88.1 Ų | 88.1 | 62% | 0.621 | 43% | 0.426 | S | S | * | . | trans | -116 | 164.9 | 179.4 | -95.3 | -72.7 | -168.2 | 0 | 0 | 111.9 | I304 | M302-I304 PolarHBondContact O-N 3.22Å; M302-I304 VanDerWaalsContact O-N 3.13Å | ||
| 303 | N | 36.3 | Very low | 46.3 | Very low | 102 Ų | 102 | 85.1 Ų | 85.1 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | trans | -59.9 | 106.2 | -166.3 | -77.3 | -17.9 | 0 | 0 | 0 | 115.7 | R431 | N303-R431 PolarHBondContact OD1-NH2 3.47Š| ||
| 304 | I | 35.4 | Very low | 47.7 | Very low | 68 Ų | 68 | 83.7 Ų | 83.7 | 35% | 0.349 | 41% | 0.407 | S | S | . | . | trans | -138.5 | 148.4 | 161.6 | -64.5 | -177 | 0 | 0 | 0 | 109.6 | M302 R431 T521 K522 | M302-I304 PolarHBondContact O-N 3.22Å; M302-I304 VanDerWaalsContact O-N 3.13Å; I304-R431 PolarHBondContact O-NH1 3.43Å; I304-T521 VanDerWaalsContact CB-O 3.3Å; I304-T521 WeakPolarHBondContact CB-O 3.16Å; I304-T521 HydrophobicContact CD1-CG2 3.97Å; I304-T521 WeakPolarHBondContact CD1-O 3.39Å; I304-T521 VanDerWaalsContact CG2-O 3.25Å; I304-T521 WeakPolarHBondContact CG2-O 3.38Å; I304-K522 HydrophobicContact CG2-CG 3.82Å | ||
| 305 | S | 51.5 | Low | 49.6 | Very low | 67 Ų | 67 | 77.8 Ų | 77.8 | 47% | 0.469 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -72.5 | 131.9 | -178.1 | 39.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 306 | I | 56.5 | Low | 51.5 | Low | 21 Ų | 21 | 76.7 Ų | 76.7 | 11% | 0.108 | 37% | 0.371 | C | S | . | . | trans | 52 | 106.7 | -177.8 | -56.6 | 171.1 | 0 | 0 | 0 | 114 | L353 I432 Q434 | I306-L353 HydrophobicContact CD1-CD2 3.81Å; I306-L353 HydrophobicContact CD1-CG 4.38Å; I306-I432 HydrophobicContact CG1-CB 4.43Å; I306-I432 HydrophobicContact CG1-CG2 4.44Å; I306-Q434 HydrophobicContact CG2-CB 4.06Å | ||
| 307 | L | 62 | Low | 53.7 | Low | 13 Ų | 13 | 71.8 Ų | 71.8 | 7% | 0.068 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 122 | 174.9 | -95 | 156.6 | 0 | 0 | 0 | 110.6 | L301 F309 I432 Q434 R520 | L301-L307 HydrophobicContact CD1-CD1 4.02Å; L301-L307 HydrophobicContact CD1-CD2 3.82Å; L301-L307 HydrophobicContact CD2-CD1 4.32Å; L301-L307 HydrophobicContact CD2-CD2 3.91Å; L307-F309 HydrophobicContact CB-CE2 3.99Å; L307-F309 HydrophobicContact CD2-CE2 4.45Å; L307-F309 HydrophobicContact CD2-CZ 4.47Å; L307-I432 PolarHBondContact N-O 2.91Å; L307-Q434 PolarHBondContact O-N 2.72Å; L307-R520 HydrophobicContact CD2-CG 4.48Å |
| 308 | I | 67.9 | Low | 55.9 | Low | 40 Ų | 40 | 68.9 Ų | 68.9 | 21% | 0.205 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.8 | 179.6 | -56.1 | 178 | 0 | 0 | 0 | 108.7 | Q434 V436 R520 D523 | I308-Q434 WeakPolarHBondContact CA-O 3.03Å; I308-Q434 HydrophobicContact CG1-CB 4.36Å; I308-V436 HydrophobicContact CG2-CG2 3.69Å; I308-R520 PolarHBondContact O-NH2 2.72Å; I308-D523 HydrophobicContact CB-CB 4.29Å |
| 309 | F | 70.6 | Confident | 58.2 | Low | 30 Ų | 30 | 67.7 Ų | 67.7 | 13% | 0.132 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130 | 173.6 | -70.3 | -88.4 | 0 | 0 | 0 | 110.9 | L288 L307 I433 Q434 V436 | L288-F309 HydrophobicContact CD1-CD2 3.96Å; L288-F309 HydrophobicContact CD1-CE1 4.39Å; L288-F309 HydrophobicContact CD1-CE2 3.81Å; L288-F309 HydrophobicContact CD1-CG 4.3Å; L288-F309 HydrophobicContact CD1-CZ 4.04Å; L288-F309 HydrophobicContact CD2-CB 4.11Å; L288-F309 HydrophobicContact CD2-CD1 4.29Å; L288-F309 HydrophobicContact CD2-CD2 4.37Å; L288-F309 HydrophobicContact CD2-CG 4.02Å; L307-F309 HydrophobicContact CB-CE2 3.99Å; L307-F309 HydrophobicContact CD2-CE2 4.45Å; L307-F309 HydrophobicContact CD2-CZ 4.47Å; F309-I433 HydrophobicContact CD2-CG2 3.6Å; F309-I433 HydrophobicContact CE2-CG2 3.78Å; F309-Q434 PolarHBondContact N-O 2.68Å; F309-V436 PolarHBondContact O-N 2.76Å |
| 310 | R | 71.1 | Confident | 60.5 | Low | 52 Ų | 52 | 65.1 Ų | 65.1 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 113.4 | 178.3 | -65.7 | -177.1 | -178.7 | 102.7 | 4.1 | 109.9 | T438 E488 D523 | R310-T438 HydrophobicContact CB-CG2 3.88Å; R310-T438 HydrophobicContact CG-CG2 4.03Å; R310-E488 WeakPolarHBondContact CD-O 3.01Å; R310-D523 IonicContact CZ-OD2 3.64Å; R310-D523 PolarHBondContact NH1-O 3.02Å; R310-D523 IonicContact NH1-OD2 3.87Å; R310-D523 IonicContact NH2-OD2 3.81Å; R310-D523 PolarHBondContact NH2-OD2 3.11Å |
| 311 | I | 70 | Confident | 62.9 | Low | 11 Ų | 11 | 59 Ų | 59 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 144.8 | 179.9 | 61 | 169.8 | 0 | 0 | 0 | 111.5 | L318 L399 I435 V436 K437 T438 | I311-L318 HydrophobicContact CD1-CD1 4.03Å; I311-L318 HydrophobicContact CG2-CD1 4.35Å; I311-L399 HydrophobicContact CD1-CD1 3.47Å; I311-L399 VanDerWaalsContact CD1-CD1 3.47Å; I311-I435 HydrophobicContact CD1-CG2 3.44Å; I311-I435 VanDerWaalsContact CD1-CG2 3.44Å; I311-I435 HydrophobicContact CG1-CG2 3.93Å; I311-V436 WeakPolarHBondContact CG1-O 3.42Å; I311-V436 PolarHBondContact N-O 2.92Å; I311-K437 HydrophobicContact CD1-CG 3.97Å; I311-K437 HydrophobicContact CG1-CG 4.08Å; I311-K437 WeakPolarHBondContact O-CA 3.03Å; I311-T438 PolarHBondContact O-N 2.73Å; I311-T438 PolarHBondContact O-OG1 3.44Å |
| 312 | K | 66.3 | Low | 65.3 | Low | 61 Ų | 61 | 58.1 Ų | 58.1 | 27% | 0.265 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 143.1 | 171.7 | -76 | 177.2 | 176.1 | 167.9 | 0 | 110.1 | H314 T315 T491 D492 | K312-H314 PolarHBondContact O-N 3.5Å; K312-T315 PolarHBondContact O-N 2.87Å; K312-T315 VanDerWaalsContact O-N 3.08Å; K312-T315 PolarHBondContact O-OG1 3.33Å; K312-T491 HydrophobicContact CB-CG2 4.35Å; K312-T491 HydrophobicContact CD-CG2 4.43Å; K312-T491 VanDerWaalsContact CD-OG1 3.27Å; K312-T491 WeakPolarHBondContact CD-OG1 3.41Å; K312-T491 WeakPolarHBondContact CE-OG1 3.39Å; K312-T491 HydrophobicContact CG-CG2 4.05Å; K312-D492 WeakPolarHBondContact CE-OD1 3.45Å; K312-D492 IonicContact NZ-OD1 3.16Å; K312-D492 PolarHBondContact NZ-OD1 3.06Å; K312-D492 IonicContact NZ-OD2 3.78Å; K312-D492 PolarHBondContact NZ-OD2 3.16Å |
| 313 | Q | 65.7 | Low | 67.9 | Low | 105 Ų | 105 | 53.7 Ų | 53.7 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -22.4 | -174.5 | -163.1 | 166.9 | -14.4 | 0 | 0 | 115 | ||
| 314 | H | 67.2 | Low | 70.2 | Confident | 142 Ų | 142 | 48.8 Ų | 48.8 | 66% | 0.657 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -1.2 | -178.6 | -52.7 | -62.2 | 0 | 0 | 0 | 115.2 | K312 K316 N440 | K312-H314 PolarHBondContact O-N 3.5Å; H314-K316 PolarHBondContact O-N 2.85Å; H314-K316 VanDerWaalsContact O-N 3.13Å; H314-N440 PolarHBondContact NE2-ND2 2.82Å; H314-N440 VanDerWaalsContact NE2-ND2 3.1Å |
| 315 | T | 66.6 | Low | 72.6 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 20% | 0.202 | 22% | 0.221 | C | C | . | . | trans | -70.4 | 107.8 | -179.2 | -54.4 | 0 | 0 | 0 | 0 | 111 | K312 L318 L399 | K312-T315 PolarHBondContact O-N 2.87Å; K312-T315 VanDerWaalsContact O-N 3.08Å; K312-T315 PolarHBondContact O-OG1 3.33Å; T315-L318 HydrophobicContact CG2-CD1 4.41Å; T315-L318 HydrophobicContact CG2-CD2 3.75Å; T315-L318 HydrophobicContact CG2-CG 3.92Å; T315-L399 WeakPolarHBondContact O-CD1 2.97Å | ||
| 316 | K | 69.6 | Low | 74 | Confident | 160 Ų | 160 | 43 Ų | 43 | 70% | 0.696 | 20% | 0.2 | S | C | * | . | trans | -86.7 | -35.3 | -175.4 | -66.1 | -168.9 | 176.8 | -171.6 | 0 | 115.4 | H314 L399 | H314-K316 PolarHBondContact O-N 2.85Å; H314-K316 VanDerWaalsContact O-N 3.13Å; K316-L399 WeakPolarHBondContact O-CB 3.37Å; K316-L399 PolarHBondContact O-N 2.8Å | ||
| 317 | L | 73.5 | Confident | 74.8 | Confident | 82 Ų | 82 | 45.8 Ų | 45.8 | 43% | 0.429 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 129.5 | -169.2 | -124.5 | 160.4 | 0 | 0 | 0 | 109.8 | I291 | I291-L317 HydrophobicContact CD1-CB 4.25Å; I291-L317 HydrophobicContact CD1-CD2 3.58Å; I291-L317 HydrophobicContact CD1-CG 4.5Å |
| 318 | L | 76 | Confident | 75.1 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 136.5 | -176.6 | -74.7 | 173.4 | 0 | 0 | 0 | 110.7 | L288 I311 T315 L397 L399 I435 | L288-L318 HydrophobicContact CD2-CD1 4.26Å; I311-L318 HydrophobicContact CD1-CD1 4.03Å; I311-L318 HydrophobicContact CG2-CD1 4.35Å; T315-L318 HydrophobicContact CG2-CD1 4.41Å; T315-L318 HydrophobicContact CG2-CD2 3.75Å; T315-L318 HydrophobicContact CG2-CG 3.92Å; L318-L397 PolarHBondContact N-O 2.78Å; L318-L397 PolarHBondContact O-N 2.04Å; L318-L399 HydrophobicContact CD1-CD1 3.74Å; L318-L399 HydrophobicContact CG-CD1 4.38Å; L318-I435 HydrophobicContact CD1-CD1 4.29Å |
| 319 | R | 80.4 | Confident | 75 | Confident | 72 Ų | 72 | 54.2 Ų | 54.2 | 27% | 0.272 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.7 | 170.9 | 171 | 165.4 | -68.4 | 148.4 | 4.1 | 109.7 | L288 Q289 I291 I321 D396 | L288-R319 CarbonylContact C-O 3.57Å; L288-R319 WeakPolarHBondContact CA-O 3.41Å; Q289-R319 HydrophobicContact CB-CB 4.13Å; Q289-R319 HydrophobicContact CB-CG 4.48Å; Q289-R319 PolarHBondContact N-O 2.91Å; Q289-R319 PolarHBondContact O-N 3.48Å; I291-R319 HydrophobicContact CD1-CB 3.98Å; I291-R319 HydrophobicContact CG1-CB 4.23Å; R319-I321 HydrophobicContact CG-CD1 4.39Å; R319-I321 HydrophobicContact CG-CG1 3.98Å; R319-D396 VanDerWaalsContact CB-OD1 3.3Å; R319-D396 WeakPolarHBondContact CB-OD1 3.29Å; R319-D396 VanDerWaalsContact CG-OD1 3.24Å; R319-D396 WeakPolarHBondContact CG-OD1 3.39Å; R319-D396 IonicContact CZ-OD1 3.66Å; R319-D396 IonicContact CZ-OD2 2.67Å; R319-D396 IonicContact NE-OD1 3.58Å; R319-D396 PolarHBondContact NE-OD1 2.82Å; R319-D396 IonicContact NE-OD2 3.89Å; R319-D396 IonicContact NH2-OD1 3.56Å; R319-D396 PolarHBondContact NH2-OD1 2.81Å; R319-D396 IonicContact NH2-OD2 2.72Å; R319-D396 PolarHBondContact NH2-OD2 2.95Å |
| 320 | L | 83.4 | Confident | 74.8 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.7 | 170.9 | -62.8 | 103.8 | 0 | 0 | 0 | 109.6 | Y287 L288 W343 K394 Y395 L397 I415 I433 I435 | Y287-L320 WeakPolarHBondContact O-CA 3.43Å; L288-L320 HydrophobicContact CD1-CD2 3.8Å; L288-L320 HydrophobicContact CD1-CG 4.22Å; L288-L320 HydrophobicContact CG-CD2 4.34Å; L288-L320 HydrophobicContact CG-CG 4.32Å; L320-W343 HydrophobicContact CB-CH2 3.79Å; L320-W343 HydrophobicContact CB-CZ3 4.04Å; L320-K394 WeakPolarHBondContact O-CA 3.27Å; L320-Y395 HydrophobicContact CD1-CD1 4.02Å; L320-Y395 PolarHBondContact N-O 2.84Å; L320-Y395 PolarHBondContact O-N 2.97Å; L320-L397 HydrophobicContact CD1-CB 3.66Å; L320-L397 HydrophobicContact CD1-CD2 4.33Å; L320-I415 HydrophobicContact CD1-CD1 3.96Å; L320-I415 HydrophobicContact CD2-CD1 4.01Å; L320-I433 HydrophobicContact CD2-CD1 3.43Å; L320-I433 VanDerWaalsContact CD2-CD1 3.43Å; L320-I435 HydrophobicContact CD2-CD1 4.48Å |
| 321 | I | 83.3 | Confident | 74.6 | Confident | 28 Ų | 28 | 57.2 Ų | 57.2 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 109.6 | -179.2 | -46.8 | -176.9 | 0 | 0 | 0 | 109.1 | I286 Y287 R319 I323 Y392 S393 K394 | I286-I321 VanDerWaalsContact CA-O 3.31Å; I286-I321 WeakPolarHBondContact CA-O 3.44Å; I286-I321 WeakPolarHBondContact CG2-O 3.46Å; Y287-I321 PolarHBondContact N-O 3.22Å; Y287-I321 PolarHBondContact O-N 3.28Å; R319-I321 HydrophobicContact CG-CD1 4.39Å; R319-I321 HydrophobicContact CG-CG1 3.98Å; I321-I323 HydrophobicContact CG2-CG1 4.32Å; I321-Y392 HydrophobicContact CG2-CD2 4.17Å; I321-S393 CarbonylContact C-O 3.57Å; I321-S393 WeakPolarHBondContact CA-O 3.47Å; I321-K394 HydrophobicContact CG1-CG 4.27Å; I321-K394 HydrophobicContact CG2-CG 4.29Å |
| 322 | C | 87.6 | Confident | 74.4 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 117.1 | -179.8 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | I284 I286 F341 W343 Y392 S393 C417 | I284-C322 WeakPolarHBondContact CG2-SG 3.08Å; I286-C322 HydrophobicContact CD1-CB 4.39Å; I286-C322 HydrophobicContact CG1-CB 4.25Å; C322-F341 HydrophobicContact CB-CD1 4.49Å; C322-F341 VanDerWaalsContact O-CE1 3.28Å; C322-F341 WeakPolarHBondContact O-CE1 3.18Å; C322-W343 HydrophobicContact CB-CH2 3.51Å; C322-W343 HydrophobicContact CB-CZ2 3.33Å; C322-W343 HydrophobicContact CB-CZ3 4.49Å; C322-Y392 CarbonylContact O-C 3.55Å; C322-Y392 VanDerWaalsContact O-CA 3.27Å; C322-Y392 WeakPolarHBondContact O-CA 3.47Å; C322-S393 PolarHBondContact N-O 2.86Å; C322-S393 PolarHBondContact O-N 2.86Å; C322-C417 HydrophobicContact CB-CB 3.87Å; C322-C417 WeakPolarHBondContact CB-SG 3.49Å; C322-C417 WeakPolarHBondContact SG-CB 3.39Å; C322-C417 CovalentContact SG-SG 2.04Å; C322-C417 PolarHBondContact SG-SG 2.91Å |
| 323 | I | 84.5 | Confident | 74.2 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 16% | 0.164 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 115 | -177.4 | -46.5 | -164 | 0 | 0 | 0 | 109.5 | I284 H285 Y287 I321 Y390 A391 | I284-I323 CarbonylContact C-O 3.48Å; I284-I323 VanDerWaalsContact CA-O 3.31Å; I284-I323 WeakPolarHBondContact CA-O 3.34Å; H285-I323 HydrophobicContact CB-CB 4.44Å; H285-I323 PolarHBondContact N-O 2.8Å; H285-I323 PolarHBondContact O-N 3.41Å; Y287-I323 HydrophobicContact CD2-CD1 4Å; Y287-I323 HydrophobicContact CD2-CG1 4.12Å; Y287-I323 HydrophobicContact CE2-CD1 3.49Å; Y287-I323 VanDerWaalsContact CE2-CD1 3.49Å; Y287-I323 HydrophobicContact CE2-CG1 3.85Å; I321-I323 HydrophobicContact CG2-CG1 4.32Å; I323-Y390 HydrophobicContact CG2-CD2 4.1Å; I323-A391 CarbonylContact C-O 3.58Å; I323-A391 WeakPolarHBondContact CA-O 3.42Å; I323-A391 WeakPolarHBondContact CG2-O 3.47Å |
| 324 | G | 85.7 | Confident | 74.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 130.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | L339 Y390 A391 | G324-L339 WeakPolarHBondContact O-CD1 3.32Å; G324-Y390 VanDerWaalsContact O-CA 3.26Å; G324-Y390 WeakPolarHBondContact O-CA 3.25Å; G324-A391 PolarHBondContact N-O 2.81Å; G324-A391 PolarHBondContact O-N 3.01Å |
| 325 | S | 85.2 | Confident | 74.1 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 155.1 | -171.9 | 68.7 | 0 | 0 | 0 | 0 | 115.3 | I283 L389 | I283-S325 PolarHBondContact N-O 2.88Å; I283-S325 PolarHBondContact O-N 2.88Å; I283-S325 PolarHBondContact O-OG 3.16Å; S325-L389 CarbonylContact C-O 3.57Å; S325-L389 VanDerWaalsContact CA-O 3.32Å; S325-L389 WeakPolarHBondContact CA-O 3.37Å |
| 326 | Y | 80.9 | Confident | 74.3 | Confident | 6 Ų | 6 | 50.7 Ų | 50.7 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 122.5 | 175.7 | -78.2 | -69 | 0 | 0 | 0 | 111.3 | I280 S281 P282 I331 V332 I336 L339 I388 L389 T421 | I280-Y326 VanDerWaalsContact O-CE1 3.22Å; I280-Y326 WeakPolarHBondContact O-CE1 3.43Å; I280-Y326 PolarHBondContact O-OH 2.8Å; S281-Y326 WeakPolarHBondContact O-CE1 3.4Å; P282-Y326 HydrophobicContact CB-CD2 4.43Å; P282-Y326 HydrophobicContact CB-CE1 4.45Å; P282-Y326 HydrophobicContact CB-CE2 3.87Å; P282-Y326 WeakPolarHBondContact CD-OH 3.27Å; Y326-I331 HydrophobicContact CD1-CB 4.44Å; Y326-I331 HydrophobicContact CD1-CD1 3.55Å; Y326-I331 HydrophobicContact CD1-CG2 4.02Å; Y326-I331 HydrophobicContact CD2-CG2 3.85Å; Y326-I331 HydrophobicContact CE1-CD1 3.47Å; Y326-I331 VanDerWaalsContact CE1-CD1 3.47Å; Y326-I331 HydrophobicContact CE1-CG2 4.41Å; Y326-I331 HydrophobicContact CE2-CG2 4.26Å; Y326-I331 HydrophobicContact CG-CB 4.43Å; Y326-I331 HydrophobicContact CG-CD1 4.32Å; Y326-I331 HydrophobicContact CG-CG2 3.7Å; Y326-V332 WeakPolarHBondContact O-CG2 3.43Å; Y326-I336 HydrophobicContact CD2-CD1 4.06Å; Y326-I336 HydrophobicContact CE2-CD1 3.44Å; Y326-I336 VanDerWaalsContact CE2-CD1 3.44Å; Y326-L339 HydrophobicContact CE2-CD2 4.38Å; Y326-I388 WeakPolarHBondContact O-CA 3.32Å; Y326-L389 PolarHBondContact N-O 2.87Å; Y326-L389 PolarHBondContact O-N 3.01Å; Y326-T421 HydrophobicContact CE2-CG2 4Å |
| 327 | T | 72.6 | Confident | 74.8 | Confident | 81 Ų | 81 | 46 Ų | 46 | 50% | 0.497 | 23% | 0.227 | S | C | . | . | trans | -102 | -5.8 | 174.2 | 58.2 | 0 | 0 | 0 | 0 | 113.1 | K329 I388 | T327-K329 PolarHBondContact O-N 2.81Å; T327-I388 HydrophobicContact CG2-CD1 4.49Å; T327-I388 HydrophobicContact CG2-CG1 4.33Å; T327-I388 HydrophobicContact CG2-CG2 4.49Å | ||
| 328 | Q | 69.6 | Low | 75.3 | Confident | 100 Ų | 100 | 46.7 Ų | 46.7 | 47% | 0.467 | 23% | 0.227 | S | C | . | . | trans | -77.6 | 114.7 | -173.1 | -165.1 | 79.8 | -39.8 | 0 | 0 | 110.6 | I280 Y330 I331 V332 | I280-Q328 HydrophobicContact CD1-CB 4.3Å; I280-Q328 HydrophobicContact CD1-CG 3.75Å; I280-Q328 VanDerWaalsContact CD1-NE2 3.35Å; Q328-Y330 PolarHBondContact O-N 3.06Å; Q328-I331 HydrophobicContact CB-CD1 4.31Å; Q328-I331 HydrophobicContact CB-CG1 4.43Å; Q328-I331 PolarHBondContact O-N 3.15Å; Q328-V332 PolarHBondContact O-N 3Å | ||
| 329 | K | 65.6 | Low | 75.9 | Confident | 129 Ų | 129 | 46.3 Ų | 46.3 | 56% | 0.561 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -49.1 | -33.5 | -173.3 | -173 | 168.5 | -178.2 | 176.1 | 0 | 114.3 | T327 H333 | T327-K329 PolarHBondContact O-N 2.81Å; K329-H333 WeakPolarHBondContact CE-NE2 3.46Å; K329-H333 WeakPolarHBondContact CG-NE2 3.35Å; K329-H333 WeakPolarHBondContact O-CB 3.49Å; K329-H333 PolarHBondContact O-CD2 3.09Å; K329-H333 VanDerWaalsContact O-CG 3.29Å; K329-H333 PolarHBondContact O-N 3.06Å; K329-H333 VanDerWaalsContact O-N 3.11Å |
| 330 | Y | 65.5 | Low | 76.4 | Confident | 133 Ų | 133 | 43.5 Ų | 43.5 | 52% | 0.522 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.3 | -36.2 | 176.1 | 178.1 | -126.7 | 0 | 0 | 0 | 114.3 | Q328 K334 | Q328-Y330 PolarHBondContact O-N 3.06Å; Y330-K334 PolarHBondContact O-N 3.06Å |
| 331 | I | 67.3 | Low | 76.8 | Confident | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.062 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75.8 | -35 | 178.5 | -62.3 | 176.8 | 0 | 0 | 0 | 110.1 | I280 Y326 Q328 H333 K334 I336 | I280-I331 HydrophobicContact CB-CD1 4.09Å; Y326-I331 HydrophobicContact CD1-CB 4.44Å; Y326-I331 HydrophobicContact CD1-CD1 3.55Å; Y326-I331 HydrophobicContact CD1-CG2 4.02Å; Y326-I331 HydrophobicContact CD2-CG2 3.85Å; Y326-I331 HydrophobicContact CE1-CD1 3.47Å; Y326-I331 VanDerWaalsContact CE1-CD1 3.47Å; Y326-I331 HydrophobicContact CE1-CG2 4.41Å; Y326-I331 HydrophobicContact CE2-CG2 4.26Å; Y326-I331 HydrophobicContact CG-CB 4.43Å; Y326-I331 HydrophobicContact CG-CD1 4.32Å; Y326-I331 HydrophobicContact CG-CG2 3.7Å; Q328-I331 HydrophobicContact CB-CD1 4.31Å; Q328-I331 HydrophobicContact CB-CG1 4.43Å; Q328-I331 PolarHBondContact O-N 3.15Å; I331-H333 VanDerWaalsContact C-N 3.28Å; I331-H333 PolarHBondContact O-N 3.13Å; I331-K334 CarbonylContact O-C 3.59Å; I331-K334 PolarHBondContact O-N 2.82Å; I331-I336 HydrophobicContact CG2-CD1 3.76Å; I331-I336 HydrophobicContact CG2-CG1 4.42Å |
| 332 | V | 65.2 | Low | 77.1 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.6 | -17.2 | 177.1 | -168.6 | 0 | 0 | 0 | 0 | 112.6 | Y326 Q328 Q381 L389 | Y326-V332 WeakPolarHBondContact O-CG2 3.43Å; Q328-V332 PolarHBondContact O-N 3Å; V332-Q381 HydrophobicContact CG1-CG 4Å; V332-L389 HydrophobicContact CG1-CB 4.48Å; V332-L389 HydrophobicContact CG2-CB 4.09Å |
| 333 | H | 62.5 | Low | 77.2 | Confident | 34 Ų | 34 | 46.2 Ų | 46.2 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -6.9 | 169.4 | -72.4 | -32.7 | 0 | 0 | 0 | 114.9 | K329 I331 Q1425 E1426 | K329-H333 WeakPolarHBondContact CE-NE2 3.46Å; K329-H333 WeakPolarHBondContact CG-NE2 3.35Å; K329-H333 WeakPolarHBondContact O-CB 3.49Å; K329-H333 PolarHBondContact O-CD2 3.09Å; K329-H333 VanDerWaalsContact O-CG 3.29Å; K329-H333 PolarHBondContact O-N 3.06Å; K329-H333 VanDerWaalsContact O-N 3.11Å; I331-H333 VanDerWaalsContact C-N 3.28Å; I331-H333 PolarHBondContact O-N 3.13Å; H333-Q1425 PolarHBondContact CE1-OE1 3.22Å; H333-E1426 HydrophobicContact CB-CG 4.37Å; H333-E1426 WeakPolarHBondContact O-CG 3.18Å |
| 334 | K | 67.1 | Low | 77.1 | Confident | 103 Ų | 103 | 45 Ų | 45 | 45% | 0.448 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -134.9 | 80.4 | 163.1 | -73.7 | -155.5 | 168.7 | -158.6 | 0 | 107 | Y330 I331 R424 E1426 | Y330-K334 PolarHBondContact O-N 3.06Å; I331-K334 CarbonylContact O-C 3.59Å; I331-K334 PolarHBondContact O-N 2.82Å; K334-R424 VanDerWaalsContact O-CZ 3.32Å; K334-R424 PolarHBondContact O-NH1 3.22Å; K334-R424 PolarHBondContact O-NH2 2.95Å; K334-E1426 WeakPolarHBondContact CE-OE2 3.32Å; K334-E1426 IonicContact NZ-OE2 3.95Å |
| 335 | P | 64.3 | Low | 77 | Confident | 74 Ų | 74 | 47.1 Ų | 47.1 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | trans | -57.3 | 148.6 | -171.3 | 22.8 | -33.2 | 0 | 0 | 0 | 111.5 | L389 | P335-L389 HydrophobicContact CB-CD1 3.94Å; P335-L389 HydrophobicContact CB-CD2 4.12Å | ||
| 336 | I | 71.2 | Confident | 76.5 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | -91.3 | 131.2 | 169.8 | -65.9 | 158.7 | 0 | 0 | 0 | 105.2 | Y326 I331 K338 T379 L389 T421 D423 R424 | Y326-I336 HydrophobicContact CD2-CD1 4.06Å; Y326-I336 HydrophobicContact CE2-CD1 3.44Å; Y326-I336 VanDerWaalsContact CE2-CD1 3.44Å; I331-I336 HydrophobicContact CG2-CD1 3.76Å; I331-I336 HydrophobicContact CG2-CG1 4.42Å; I336-K338 VanDerWaalsContact CG2-O 3.32Å; I336-K338 WeakPolarHBondContact CG2-O 3.35Å; I336-K338 PolarHBondContact O-N 3.23Å; I336-T379 WeakPolarHBondContact O-CG2 3.42Å; I336-T379 PolarHBondContact O-OG1 3.29Å; I336-L389 HydrophobicContact CB-CD2 4.35Å; I336-T421 HydrophobicContact CD1-CG2 3.94Å; I336-T421 HydrophobicContact CG2-CG2 4.23Å; I336-D423 HydrophobicContact CG2-CB 4.23Å; I336-R424 HydrophobicContact CG1-CG 4.39Å | ||
| 337 | S | 78.6 | Confident | 75.8 | Confident | 62 Ų | 62 | 52 Ų | 52 | 43% | 0.434 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -68.9 | -37.6 | -170.2 | 71 | 0 | 0 | 0 | 0 | 112.9 | T378 T379 D423 | S337-T378 WeakPolarHBondContact O-CA 3.19Å; S337-T379 PolarHBondContact O-N 2.71Å; S337-T379 VanDerWaalsContact O-N 3.15Å; S337-D423 WeakPolarHBondContact CA-OD2 3.37Å; S337-D423 VanDerWaalsContact CB-OD2 3.29Å; S337-D423 WeakPolarHBondContact CB-OD2 3.42Å; S337-D423 PolarHBondContact N-OD2 2.83Å; S337-D423 PolarHBondContact OG-OD1 3.24Å; S337-D423 PolarHBondContact OG-OD2 2.84Å |
| 338 | K | 85.5 | Confident | 75.1 | Confident | 96 Ų | 96 | 53.1 Ų | 53.1 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 148.5 | -174.2 | -63.5 | 177.2 | -173.6 | 177.5 | 0 | 112.1 | I336 L377 T378 P422 | I336-K338 VanDerWaalsContact CG2-O 3.32Å; I336-K338 WeakPolarHBondContact CG2-O 3.35Å; I336-K338 PolarHBondContact O-N 3.23Å; K338-L377 CarbonylContact C-O 3.46Å; K338-L377 VanDerWaalsContact CA-O 3.26Å; K338-L377 WeakPolarHBondContact CA-O 3.39Å; K338-T378 HydrophobicContact CG-CG2 4.49Å; K338-P422 HydrophobicContact CB-CG 4.32Å |
| 339 | L | 87.5 | Confident | 74.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.8 | 164.2 | -74 | 167.2 | 0 | 0 | 0 | 108.3 | P282 G324 Y326 F341 C376 L377 T379 A391 V419 T421 | P282-L339 HydrophobicContact CB-CD2 4.16Å; P282-L339 HydrophobicContact CG-CD2 4.27Å; G324-L339 WeakPolarHBondContact O-CD1 3.32Å; Y326-L339 HydrophobicContact CE2-CD2 4.38Å; L339-F341 HydrophobicContact CB-CE2 3.7Å; L339-F341 HydrophobicContact CB-CZ 4.08Å; L339-F341 WeakPolarHBondContact O-CD2 3.29Å; L339-F341 WeakPolarHBondContact O-CE2 3.26Å; L339-C376 WeakPolarHBondContact O-CA 3.43Å; L339-L377 PolarHBondContact N-O 3.35Å; L339-L377 PolarHBondContact O-N 3.16Å; L339-T379 HydrophobicContact CB-CG2 4.48Å; L339-T379 HydrophobicContact CD1-CG2 3.88Å; L339-T379 HydrophobicContact CG-CG2 3.79Å; L339-A391 HydrophobicContact CB-CB 4.18Å; L339-A391 HydrophobicContact CD1-CB 4.05Å; L339-V419 HydrophobicContact CB-CG1 4.14Å; L339-V419 HydrophobicContact CD2-CG1 3.93Å; L339-V419 HydrophobicContact CG-CG1 4.48Å; L339-T421 HydrophobicContact CD2-CG2 3.61Å |
| 340 | C | 90.3 | Very high | 73.8 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 9% | 0.088 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 118.3 | 179.2 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | E375 C376 V419 T420 | C340-E375 WeakPolarHBondContact CA-O 3.3Å; C340-C376 HydrophobicContact CB-CB 4.15Å; C340-C376 WeakPolarHBondContact CB-SG 3.08Å; C340-C376 WeakPolarHBondContact SG-CB 3.39Å; C340-C376 CovalentContact SG-SG 2.04Å; C340-C376 PolarHBondContact SG-SG 3.01Å; C340-V419 WeakPolarHBondContact O-CA 3.45Å; C340-T420 WeakPolarHBondContact CB-OG1 3.18Å; C340-T420 PolarHBondContact N-O 3.18Å; C340-T420 PolarHBondContact O-N 3.41Å; C340-T420 PolarHBondContact O-OG1 2.87Å |
| 341 | F | 91.9 | Very high | 73.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 139.3 | 179.9 | -62.3 | -99.3 | 0 | 0 | 0 | 109.6 | C322 L339 T374 E375 L377 A391 E418 V419 | C322-F341 HydrophobicContact CB-CD1 4.49Å; C322-F341 VanDerWaalsContact O-CE1 3.28Å; C322-F341 WeakPolarHBondContact O-CE1 3.18Å; L339-F341 HydrophobicContact CB-CE2 3.7Å; L339-F341 HydrophobicContact CB-CZ 4.08Å; L339-F341 WeakPolarHBondContact O-CD2 3.29Å; L339-F341 WeakPolarHBondContact O-CE2 3.26Å; F341-T374 CarbonylContact O-C 3.49Å; F341-T374 VanDerWaalsContact O-CA 3.3Å; F341-T374 WeakPolarHBondContact O-CA 3.25Å; F341-E375 HydrophobicContact CB-CG 4.27Å; F341-E375 PolarHBondContact N-O 2.83Å; F341-E375 PolarHBondContact O-N 2.71Å; F341-L377 HydrophobicContact CD2-CB 4.5Å; F341-L377 HydrophobicContact CD2-CD1 4.03Å; F341-L377 HydrophobicContact CD2-CG 4.3Å; F341-L377 HydrophobicContact CE2-CB 4.26Å; F341-L377 HydrophobicContact CE2-CD1 4.11Å; F341-L377 HydrophobicContact CE2-CG 4.48Å; F341-A391 HydrophobicContact CE2-CB 3.79Å; F341-A391 HydrophobicContact CZ-CB 3.92Å; F341-A391 WeakPolarHBondContact CZ-O 2.97Å; F341-E418 CarbonylContact C-O 3.52Å; F341-E418 VanDerWaalsContact CA-O 3.3Å; F341-E418 WeakPolarHBondContact CA-O 3.41Å; F341-V419 HydrophobicContact CD1-CG2 3.49Å; F341-V419 VanDerWaalsContact CD1-CG2 3.49Å; F341-V419 HydrophobicContact CE1-CG1 4.22Å; F341-V419 HydrophobicContact CE1-CG2 3.56Å; F341-V419 HydrophobicContact CG-CG2 4.32Å; F341-V419 HydrophobicContact CZ-CG1 4.31Å; F341-V419 HydrophobicContact CZ-CG2 4.43Å |
| 342 | R | 89.6 | Confident | 72.2 | Confident | 83 Ų | 83 | 55.9 Ų | 55.9 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.9 | 168.3 | -47.5 | -173.3 | 169.9 | 137.9 | -17.7 | 111.5 | W371 R373 T374 C417 E418 | R342-W371 HydrophobicContact CB-CD2 3.67Å; R342-W371 HydrophobicContact CB-CE3 3.29Å; R342-W371 HydrophobicContact CB-CG 4.3Å; R342-W371 HydrophobicContact CB-CH2 4.14Å; R342-W371 HydrophobicContact CB-CZ2 4.46Å; R342-W371 HydrophobicContact CB-CZ3 3.56Å; R342-W371 HydrophobicContact CG-CD2 4.32Å; R342-W371 HydrophobicContact CG-CE3 4.37Å; R342-R373 CarbonylContact C-O 3.43Å; R342-R373 VanDerWaalsContact CA-O 3.31Å; R342-R373 WeakPolarHBondContact CA-O 3.28Å; R342-T374 HydrophobicContact CG-CG2 4.06Å; R342-C417 WeakPolarHBondContact O-CA 3.02Å; R342-E418 HydrophobicContact CB-CB 4.23Å; R342-E418 WeakPolarHBondContact CD-OE1 3.3Å; R342-E418 IonicContact CZ-OE1 3.88Å; R342-E418 PolarHBondContact N-O 3.4Å; R342-E418 IonicContact NE-OE1 4Å; R342-E418 IonicContact NH1-OE1 3.57Å; R342-E418 PolarHBondContact NH1-OE1 2.02Å; R342-E418 PolarHBondContact O-N 2.88Å |
| 343 | W | 89.7 | Confident | 71.3 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 140.6 | 178 | -64.4 | 90.2 | 0 | 0 | 0 | 111.8 | L320 C322 E372 R373 S393 Y395 I415 L416 C417 | L320-W343 HydrophobicContact CB-CH2 3.79Å; L320-W343 HydrophobicContact CB-CZ3 4.04Å; C322-W343 HydrophobicContact CB-CH2 3.51Å; C322-W343 HydrophobicContact CB-CZ2 3.33Å; C322-W343 HydrophobicContact CB-CZ3 4.49Å; W343-E372 PolarHBondContact O-N 3.23Å; W343-R373 HydrophobicContact CB-CB 4.41Å; W343-R373 PolarHBondContact N-O 3.48Å; W343-S393 PolarHBondContact NE1-OG 2.83Å; W343-Y395 HydrophobicContact CB-CD2 3.77Å; W343-Y395 HydrophobicContact CB-CE2 4.08Å; W343-Y395 HydrophobicContact CB-CG 4.48Å; W343-Y395 HydrophobicContact CD2-CD2 4.05Å; W343-Y395 AromaticContact CD2-CG 3.88Å; W343-Y395 HydrophobicContact CD2-CG 3.88Å; W343-Y395 VanDerWaalsContact CE2-CB 3.47Å; W343-Y395 HydrophobicContact CE3-CD1 4.35Å; W343-Y395 HydrophobicContact CE3-CD2 4.44Å; W343-Y395 HydrophobicContact CE3-CG 4.02Å; W343-Y395 AromaticContact CG-CD2 3.78Å; W343-Y395 HydrophobicContact CG-CD2 3.78Å; W343-Y395 HydrophobicContact CG-CG 4.12Å; W343-Y395 HydrophobicContact CZ3-CG 4.47Å; W343-I415 HydrophobicContact CE3-CG2 3.76Å; W343-I415 HydrophobicContact CZ3-CG2 3.94Å; W343-L416 WeakPolarHBondContact CA-O 3.36Å; W343-C417 HydrophobicContact CD2-CB 4.43Å; W343-C417 HydrophobicContact CE3-CB 4.11Å; W343-C417 HydrophobicContact CH2-CB 4.36Å; W343-C417 HydrophobicContact CZ3-CB 4.07Å |
| 344 | K | 84.3 | Confident | 70.2 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 121.9 | -179.6 | 174.8 | 166.3 | 173.2 | 168.3 | 0 | 109.6 | L346 D366 S369 W371 L416 | K344-L346 HydrophobicContact CD-CD2 4.43Å; K344-L346 HydrophobicContact CG-CD2 4.14Å; K344-D366 PolarHBondContact NZ-O 3.43Å; K344-S369 WeakPolarHBondContact CE-O 3.04Å; K344-S369 WeakPolarHBondContact CE-OG 3.43Å; K344-S369 PolarHBondContact NZ-O 2.72Å; K344-S369 PolarHBondContact NZ-OG 2.69Å; K344-W371 HydrophobicContact CB-CD2 4.47Å; K344-W371 HydrophobicContact CB-CE3 3.6Å; K344-W371 HydrophobicContact CB-CZ3 3.84Å; K344-W371 HydrophobicContact CD-CD2 4.46Å; K344-W371 HydrophobicContact CD-CE3 4.23Å; K344-W371 HydrophobicContact CD-CZ3 4.41Å; K344-L416 HydrophobicContact CB-CB 4.46Å; K344-L416 PolarHBondContact N-O 2.93Å; K344-L416 VanDerWaalsContact N-O 3.17Å; K344-L416 WeakPolarHBondContact O-CB 3.13Å; K344-L416 PolarHBondContact O-N 2.89Å |
| 345 | I | 82.4 | Confident | 68.5 | Low | 46 Ų | 46 | 63 Ų | 63 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 142.6 | 164.2 | -68.4 | 170.6 | 0 | 0 | 0 | 108.4 | E372 Y395 L397 I415 | I345-E372 VanDerWaalsContact CB-OE1 3.26Å; I345-E372 WeakPolarHBondContact CB-OE1 3.45Å; I345-E372 WeakPolarHBondContact CG1-OE1 3.34Å; I345-E372 PolarHBondContact N-OE1 2.91Å; I345-Y395 WeakPolarHBondContact CD1-OH 3.02Å; I345-L397 HydrophobicContact CD1-CD1 4.05Å; I345-I415 HydrophobicContact CG1-CG1 4.42Å |
| 346 | L | 74.1 | Confident | 67.2 | Low | 8 Ų | 8 | 64.6 Ų | 64.6 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 123.6 | 176.6 | -61.6 | 174.5 | 0 | 0 | 0 | 109.7 | K344 V351 F414 L416 I432 | K344-L346 HydrophobicContact CD-CD2 4.43Å; K344-L346 HydrophobicContact CG-CD2 4.14Å; L346-V351 HydrophobicContact CB-CG2 4.14Å; L346-V351 HydrophobicContact CD1-CG2 4.15Å; L346-F414 HydrophobicContact CB-CB 3.93Å; L346-F414 PolarHBondContact N-O 2.69Å; L346-L416 HydrophobicContact CD1-CB 4.15Å; L346-L416 HydrophobicContact CG-CB 4.35Å; L346-I432 HydrophobicContact CD1-CD1 3.98Å; L346-I432 HydrophobicContact CD1-CG1 4.2Å; L346-I432 HydrophobicContact CD1-CG2 4.46Å |
| 347 | N | 66.4 | Low | 65.5 | Low | 105 Ų | 105 | 69.2 Ų | 69.2 | 56% | 0.561 | 37% | 0.366 | S | S | * | . | trans | -68.6 | 152.7 | 166.8 | -67.5 | 3.2 | 0 | 0 | 0 | 109.6 | D349 N350 | N347-D349 PolarHBondContact O-N 2.88Å; N347-N350 PolarHBondContact O-N 2.83Å; N347-N350 VanDerWaalsContact O-N 3.12Å | ||
| 348 | Q | 59.1 | Low | 63.1 | Low | 105 Ų | 105 | 72.8 Ų | 72.8 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -58.4 | -34.3 | -175.6 | -86.7 | 177.8 | -104.6 | 0 | 0 | 113.4 | N350 V351 F414 | Q348-N350 PolarHBondContact O-N 3.49Å; Q348-V351 PolarHBondContact O-N 3.24Å; Q348-F414 HydrophobicContact CG-CD2 4.19Å; Q348-F414 HydrophobicContact CG-CE2 3.85Å |
| 349 | D | 55.8 | Low | 60.7 | Low | 138 Ų | 138 | 74 Ų | 74 | 74% | 0.738 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -63.3 | -26.9 | -179.1 | -46.6 | -69.6 | 0 | 0 | 0 | 113 | N347 V351 | N347-D349 PolarHBondContact O-N 2.88Å; D349-V351 VanDerWaalsContact C-N 3.26Å; D349-V351 PolarHBondContact O-N 3.19Å |
| 350 | N | 51.2 | Low | 57.9 | Low | 81 Ų | 81 | 83.5 Ų | 83.5 | 43% | 0.433 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -81.6 | -0 | -177.5 | -65 | -2.2 | 0 | 0 | 0 | 113.2 | N347 Q348 | N347-N350 PolarHBondContact O-N 2.83Å; N347-N350 VanDerWaalsContact O-N 3.12Å; Q348-N350 PolarHBondContact O-N 3.49Å |
| 351 | V | 52.6 | Low | 55.3 | Low | 19 Ų | 19 | 90 Ų | 90 | 12% | 0.115 | 46% | 0.459 | C | S | . | . | trans | -122.5 | 77 | -173.8 | -166.3 | 0 | 0 | 0 | 0 | 111.3 | L346 Q348 D349 L353 | L346-V351 HydrophobicContact CB-CG2 4.14Å; L346-V351 HydrophobicContact CD1-CG2 4.15Å; Q348-V351 PolarHBondContact O-N 3.24Å; D349-V351 VanDerWaalsContact C-N 3.26Å; D349-V351 PolarHBondContact O-N 3.19Å; V351-L353 VanDerWaalsContact C-N 3.3Å; V351-L353 HydrophobicContact CG1-CD1 3.9Å; V351-L353 HydrophobicContact CG1-CG 4.05Å; V351-L353 PolarHBondContact O-N 2.88Å | ||
| 352 | K | 47.7 | Very low | 52.8 | Low | 194 Ų | 194 | 98.2 Ų | 98.2 | 84% | 0.843 | 50% | 0.497 | S | S | * | . | trans | -67.6 | 83.9 | 172.9 | -77.4 | -177.3 | 177 | 172.9 | 0 | 111.8 | S354 | K352-S354 PolarHBondContact O-N 3.02Š| ||
| 353 | L | 45.8 | Very low | 50.5 | Low | 78 Ų | 78 | 99.9 Ų | 99.9 | 41% | 0.408 | 51% | 0.505 | S | S | . | . | trans | -72.5 | 16.3 | -175.5 | -105.6 | 148.6 | 0 | 0 | 0 | 115.6 | I306 V351 I356 | I306-L353 HydrophobicContact CD1-CD2 3.81Å; I306-L353 HydrophobicContact CD1-CG 4.38Å; V351-L353 VanDerWaalsContact C-N 3.3Å; V351-L353 HydrophobicContact CG1-CD1 3.9Å; V351-L353 HydrophobicContact CG1-CG 4.05Å; V351-L353 PolarHBondContact O-N 2.88Å; L353-I356 HydrophobicContact CD2-CD1 3.82Å; L353-I356 WeakPolarHBondContact O-CD1 3.14Å | ||
| 354 | S | 38.2 | Very low | 48.3 | Very low | 98 Ų | 98 | 109.3 Ų | 109.3 | 69% | 0.685 | 55% | 0.549 | S | S | * | . | trans | -79.5 | -27.7 | -157.1 | 53.6 | 0 | 0 | 0 | 0 | 116.6 | K352 | K352-S354 PolarHBondContact O-N 3.02Š| ||
| 355 | N | 33.2 | Very low | 46.8 | Very low | 114 Ų | 114 | 110.9 Ų | 110.9 | 61% | 0.61 | 56% | 0.557 | S | S | * | * | trans | -121.6 | 110.9 | -179.9 | -71.5 | -6.1 | 0 | 0 | 0 | 110 | F359 | N355-F359 HydrophobicContact CB-CE2 3.79Å; N355-F359 VanDerWaalsContact O-CD2 3.26Å; N355-F359 WeakPolarHBondContact O-CD2 3.36Å; N355-F359 VanDerWaalsContact O-CE2 3.31Å; N355-F359 WeakPolarHBondContact O-CE2 3.21Å | ||
| 356 | I | 35.3 | Very low | 45.3 | Very low | 107 Ų | 107 | 113 Ų | 113 | 55% | 0.549 | 57% | 0.569 | S | S | . | * | trans | -115.1 | -4.9 | -171.7 | -62.6 | 179.6 | 0 | 0 | 0 | 113 | L353 | L353-I356 HydrophobicContact CD2-CD1 3.82Å; L353-I356 WeakPolarHBondContact O-CD1 3.14Å | ||
| 357 | S | 35.8 | Very low | 44.2 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 69% | 0.692 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -74.9 | -46.7 | -177.8 | 50.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 358 | D | 29.5 | Very low | 43.7 | Very low | 138 Ų | 138 | 125 Ų | 125 | 74% | 0.738 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -129.5 | 63.9 | -161 | -56.7 | -76.7 | 0 | 0 | 0 | 112.9 | ||
| 359 | F | 33.8 | Very low | 43.8 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 54% | 0.535 | 61% | 0.61 | S | S | . | * | trans | -121.8 | 99.8 | -179.8 | -89.7 | -92.8 | 0 | 0 | 0 | 113.6 | N355 E361 | N355-F359 HydrophobicContact CB-CE2 3.79Å; N355-F359 VanDerWaalsContact O-CD2 3.26Å; N355-F359 WeakPolarHBondContact O-CD2 3.36Å; N355-F359 VanDerWaalsContact O-CE2 3.31Å; N355-F359 WeakPolarHBondContact O-CE2 3.21Å; F359-E361 WeakPolarHBondContact CD1-O 3.23Å | ||
| 360 | Q | 29.4 | Very low | 44.5 | Very low | 198 Ų | 198 | 120.5 Ų | 120.5 | 93% | 0.925 | 61% | 0.609 | S | S | * | * | trans | -112.7 | 3 | 162.6 | -139.5 | 177.2 | -5.6 | 0 | 0 | 112.7 | ||||
| 361 | E | 36.2 | Very low | 45.9 | Very low | 149 Ų | 149 | 120.5 Ų | 120.5 | 70% | 0.696 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -127.6 | 136.4 | -171.9 | -58.7 | -168.7 | 146.6 | 0 | 0 | 112.8 | F359 | F359-E361 WeakPolarHBondContact CD1-O 3.23Š|
| 362 | H | 38.7 | Very low | 47.2 | Very low | 173 Ų | 173 | 124.4 Ų | 124.4 | 80% | 0.801 | 62% | 0.62 | S | S | * | * | trans | 18.7 | 105.4 | 160.8 | -54.5 | 89.7 | 0 | 0 | 0 | 119.4 | Q364 | H362-Q364 PolarHBondContact O-N 2.74Š| ||
| 363 | Y | 40.5 | Very low | 49 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 47% | 0.467 | 60% | 0.599 | S | S | . | * | trans | -69.1 | 117.6 | 154.1 | -85.7 | -104 | 0 | 0 | 0 | 109.4 | I365 | Y363-I365 PolarHBondContact O-N 3.2Å; Y363-I365 VanDerWaalsContact O-N 3.1Å | ||
| 364 | Q | 44.4 | Very low | 50.9 | Low | 199 Ų | 199 | 120.1 Ų | 120.1 | 93% | 0.93 | 60% | 0.602 | S | S | * | * | trans | -73.1 | 94.6 | 159.4 | -74.7 | -175.2 | -49.3 | 0 | 0 | 108.7 | H362 | H362-Q364 PolarHBondContact O-N 2.74Š| ||
| 365 | I | 52.5 | Low | 53.4 | Low | 39 Ų | 39 | 117.2 Ų | 117.2 | 20% | 0.2 | 58% | 0.578 | C | S | . | * | trans | -81.9 | 130.9 | 165.4 | -64.9 | 152.6 | 0 | 0 | 0 | 106.9 | Y363 E367 L416 | Y363-I365 PolarHBondContact O-N 3.2Å; Y363-I365 VanDerWaalsContact O-N 3.1Å; I365-E367 PolarHBondContact O-N 2.66Å; I365-L416 HydrophobicContact CD1-CD2 3.61Å | ||
| 366 | D | 50.5 | Low | 56.1 | Low | 91 Ų | 91 | 115 Ų | 115 | 49% | 0.487 | 57% | 0.571 | S | S | . | * | trans | -61.3 | 120.5 | 178 | -159.1 | -34.5 | 0 | 0 | 0 | 110.7 | K344 Q368 S369 | K344-D366 PolarHBondContact NZ-O 3.43Å; D366-Q368 PolarHBondContact O-N 3.49Å; D366-Q368 WeakPolarHBondContact OD1-CG 3.3Å; D366-Q368 PolarHBondContact OD1-N 2.76Å; D366-S369 PolarHBondContact O-OG 2.65Å | ||
| 367 | E | 52.3 | Low | 58.6 | Low | 188 Ų | 188 | 112.5 Ų | 112.5 | 88% | 0.879 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -19.7 | -173.6 | -65.7 | -163.8 | 136.3 | 0 | 0 | 112.6 | I365 S369 | I365-E367 PolarHBondContact O-N 2.66Å; E367-S369 VanDerWaalsContact C-N 3.32Å; E367-S369 PolarHBondContact O-N 2.87Å |
| 368 | Q | 56.3 | Low | 61 | Low | 176 Ų | 176 | 111.8 Ų | 111.8 | 82% | 0.822 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -24.6 | -171.7 | -62.3 | -172.1 | 12.6 | 0 | 0 | 114.5 | D366 | D366-Q368 PolarHBondContact O-N 3.49Å; D366-Q368 WeakPolarHBondContact OD1-CG 3.3Å; D366-Q368 PolarHBondContact OD1-N 2.76Å |
| 369 | S | 60.7 | Low | 63.6 | Low | 37 Ų | 37 | 106.5 Ų | 106.5 | 26% | 0.259 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -87.1 | 124.9 | 179.6 | 36.9 | 0 | 0 | 0 | 0 | 111.4 | K344 D366 E367 | K344-S369 WeakPolarHBondContact CE-O 3.04Å; K344-S369 WeakPolarHBondContact CE-OG 3.43Å; K344-S369 PolarHBondContact NZ-O 2.72Å; K344-S369 PolarHBondContact NZ-OG 2.69Å; D366-S369 PolarHBondContact O-OG 2.65Å; E367-S369 VanDerWaalsContact C-N 3.32Å; E367-S369 PolarHBondContact O-N 2.87Å |
| 370 | P | 70.4 | Confident | 65.8 | Low | 111 Ų | 111 | 105.2 Ų | 105.2 | 72% | 0.721 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 158.7 | -170.4 | 27.6 | -35.8 | 0 | 0 | 0 | 113.6 | ||
| 371 | W | 80.7 | Confident | 68 | Low | 82 Ų | 82 | 98.5 Ų | 98.5 | 31% | 0.311 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 127.2 | 169.2 | -61.9 | 97.7 | 0 | 0 | 0 | 110 | R342 K344 L416 E418 | R342-W371 HydrophobicContact CB-CD2 3.67Å; R342-W371 HydrophobicContact CB-CE3 3.29Å; R342-W371 HydrophobicContact CB-CG 4.3Å; R342-W371 HydrophobicContact CB-CH2 4.14Å; R342-W371 HydrophobicContact CB-CZ2 4.46Å; R342-W371 HydrophobicContact CB-CZ3 3.56Å; R342-W371 HydrophobicContact CG-CD2 4.32Å; R342-W371 HydrophobicContact CG-CE3 4.37Å; K344-W371 HydrophobicContact CB-CD2 4.47Å; K344-W371 HydrophobicContact CB-CE3 3.6Å; K344-W371 HydrophobicContact CB-CZ3 3.84Å; K344-W371 HydrophobicContact CD-CD2 4.46Å; K344-W371 HydrophobicContact CD-CE3 4.23Å; K344-W371 HydrophobicContact CD-CZ3 4.41Å; W371-L416 HydrophobicContact CH2-CD2 3.73Å; W371-L416 HydrophobicContact CZ3-CD2 3.77Å; W371-L416 HydrophobicContact CZ3-CG 4.27Å; W371-E418 HydrophobicContact CH2-CB 3.72Å; W371-E418 HydrophobicContact CH2-CG 4.34Å; W371-E418 WeakPolarHBondContact CH2-OE2 3.13Å; W371-E418 HydrophobicContact CZ3-CB 4.01Å |
| 372 | E | 80.4 | Confident | 69.3 | Low | 101 Ų | 101 | 92.9 Ų | 92.9 | 47% | 0.472 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -71.3 | -33.1 | -179 | -71.2 | 168.7 | -129 | 0 | 0 | 112.9 | W343 I345 Y395 | W343-E372 PolarHBondContact O-N 3.23Å; I345-E372 VanDerWaalsContact CB-OE1 3.26Å; I345-E372 WeakPolarHBondContact CB-OE1 3.45Å; I345-E372 WeakPolarHBondContact CG1-OE1 3.34Å; I345-E372 PolarHBondContact N-OE1 2.91Å; E372-Y395 WeakPolarHBondContact OE2-CE2 3.22Å; E372-Y395 PolarHBondContact OE2-OH 2.81Å |
| 373 | R | 84.7 | Confident | 70 | Confident | 103 Ų | 103 | 88.8 Ų | 88.8 | 39% | 0.389 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 130.6 | -179.6 | -175.4 | 171.8 | 177.1 | 164.6 | -7.2 | 110.1 | R342 W343 E375 K394 | R342-R373 CarbonylContact C-O 3.43Å; R342-R373 VanDerWaalsContact CA-O 3.31Å; R342-R373 WeakPolarHBondContact CA-O 3.28Å; W343-R373 HydrophobicContact CB-CB 4.41Å; W343-R373 PolarHBondContact N-O 3.48Å; R373-E375 IonicContact CZ-OE2 3.37Å; R373-E375 IonicContact NE-OE1 3.89Å; R373-E375 IonicContact NE-OE2 2.68Å; R373-E375 PolarHBondContact NE-OE2 3.41Å; R373-E375 IonicContact NH2-OE1 3.23Å; R373-E375 IonicContact NH2-OE2 2.93Å; R373-E375 PolarHBondContact NH2-OE2 3.28Å; R373-K394 VanDerWaalsContact CZ-O 3.23Å; R373-K394 PolarHBondContact NH1-O 3.04Å; R373-K394 PolarHBondContact NH2-O 3.03Å |
| 374 | T | 86.3 | Confident | 70.5 | Confident | 78 Ų | 78 | 84.9 Ų | 84.9 | 48% | 0.479 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 128.1 | 171.3 | -67.7 | 0 | 0 | 0 | 0 | 108.8 | F341 R342 | F341-T374 CarbonylContact O-C 3.49Å; F341-T374 VanDerWaalsContact O-CA 3.3Å; F341-T374 WeakPolarHBondContact O-CA 3.25Å; R342-T374 HydrophobicContact CG-CG2 4.06Å |
| 375 | E | 89.9 | Confident | 70.4 | Confident | 37 Ų | 37 | 83.1 Ų | 83.1 | 17% | 0.173 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 132.4 | 178 | 60.8 | -171 | -157.4 | 0 | 0 | 112.6 | C340 F341 R373 L377 S393 | C340-E375 WeakPolarHBondContact CA-O 3.3Å; F341-E375 HydrophobicContact CB-CG 4.27Å; F341-E375 PolarHBondContact N-O 2.83Å; F341-E375 PolarHBondContact O-N 2.71Å; R373-E375 IonicContact CZ-OE2 3.37Å; R373-E375 IonicContact NE-OE1 3.89Å; R373-E375 IonicContact NE-OE2 2.68Å; R373-E375 PolarHBondContact NE-OE2 3.41Å; R373-E375 IonicContact NH2-OE1 3.23Å; R373-E375 IonicContact NH2-OE2 2.93Å; R373-E375 PolarHBondContact NH2-OE2 3.28Å; E375-L377 HydrophobicContact CG-CD1 4.28Å; E375-L377 HydrophobicContact CG-CD2 4.48Å; E375-L377 HydrophobicContact CG-CG 4.22Å; E375-S393 WeakPolarHBondContact OE1-CA 3.35Å; E375-S393 WeakPolarHBondContact OE1-CB 3.1Å; E375-S393 PolarHBondContact OE1-OG 3.04Å |
| 376 | C | 89.7 | Confident | 70.2 | Confident | 69 Ų | 69 | 89.3 Ų | 89.3 | 47% | 0.466 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 100.9 | 179.7 | -65.7 | 0 | 0 | 0 | 0 | 110.6 | L339 C340 | L339-C376 WeakPolarHBondContact O-CA 3.43Å; C340-C376 HydrophobicContact CB-CB 4.15Å; C340-C376 WeakPolarHBondContact CB-SG 3.08Å; C340-C376 WeakPolarHBondContact SG-CB 3.39Å; C340-C376 CovalentContact SG-SG 2.04Å; C340-C376 PolarHBondContact SG-SG 3.01Å |
| 377 | L | 88.1 | Confident | 70.5 | Confident | 53 Ų | 53 | 86.9 Ų | 86.9 | 28% | 0.277 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 139.6 | -171.6 | -59.2 | 175 | 0 | 0 | 0 | 111 | K338 L339 F341 E375 A391 Y392 | K338-L377 CarbonylContact C-O 3.46Å; K338-L377 VanDerWaalsContact CA-O 3.26Å; K338-L377 WeakPolarHBondContact CA-O 3.39Å; L339-L377 PolarHBondContact N-O 3.35Å; L339-L377 PolarHBondContact O-N 3.16Å; F341-L377 HydrophobicContact CD2-CB 4.5Å; F341-L377 HydrophobicContact CD2-CD1 4.03Å; F341-L377 HydrophobicContact CD2-CG 4.3Å; F341-L377 HydrophobicContact CE2-CB 4.26Å; F341-L377 HydrophobicContact CE2-CD1 4.11Å; F341-L377 HydrophobicContact CE2-CG 4.48Å; E375-L377 HydrophobicContact CG-CD1 4.28Å; E375-L377 HydrophobicContact CG-CD2 4.48Å; E375-L377 HydrophobicContact CG-CG 4.22Å; L377-A391 HydrophobicContact CB-CB 4.13Å; L377-Y392 WeakPolarHBondContact CD1-O 3.03Å |
| 378 | T | 86.2 | Confident | 71.2 | Confident | 85 Ų | 85 | 79.6 Ų | 79.6 | 52% | 0.521 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 140 | 174 | 44.8 | 0 | 0 | 0 | 0 | 111.2 | S337 K338 | S337-T378 WeakPolarHBondContact O-CA 3.19Å; K338-T378 HydrophobicContact CG-CG2 4.49Å |
| 379 | T | 83.4 | Confident | 72.4 | Confident | 26 Ų | 26 | 71.3 Ų | 71.3 | 16% | 0.16 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 133.8 | 178.3 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | I336 S337 L339 L389 Y390 | I336-T379 WeakPolarHBondContact O-CG2 3.42Å; I336-T379 PolarHBondContact O-OG1 3.29Å; S337-T379 PolarHBondContact O-N 2.71Å; S337-T379 VanDerWaalsContact O-N 3.15Å; L339-T379 HydrophobicContact CB-CG2 4.48Å; L339-T379 HydrophobicContact CD1-CG2 3.88Å; L339-T379 HydrophobicContact CG-CG2 3.79Å; T379-L389 HydrophobicContact CG2-CD2 4.41Å; T379-L389 HydrophobicContact CG2-CG 4.3Å; T379-L389 VanDerWaalsContact OG1-CD1 3.28Å; T379-L389 WeakPolarHBondContact OG1-CD1 3.34Å; T379-Y390 CarbonylContact C-O 3.57Å; T379-Y390 WeakPolarHBondContact CA-O 3.36Å |
| 380 | H | 81.8 | Confident | 73.6 | Confident | 96 Ų | 96 | 72 Ų | 72 | 44% | 0.444 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 145.3 | 169.5 | -56.2 | -92.2 | 0 | 0 | 0 | 110 | L389 Y390 | H380-L389 CarbonylContact O-C 3.54Å; H380-L389 WeakPolarHBondContact O-CA 2.97Å; H380-Y390 HydrophobicContact CB-CD1 4.24Å; H380-Y390 HydrophobicContact CB-CE1 3.69Å; H380-Y390 PolarHBondContact N-O 2.82Å; H380-Y390 VanDerWaalsContact O-CD1 3.27Å; H380-Y390 WeakPolarHBondContact O-CD1 3.05Å; H380-Y390 PolarHBondContact O-N 3.24Å |
| 381 | Q | 73.9 | Confident | 74.4 | Confident | 57 Ų | 57 | 66.8 Ų | 66.8 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126.7 | 179.2 | 179.7 | 169.3 | -17.3 | 0 | 0 | 111.1 | V332 F383 I388 L389 | V332-Q381 HydrophobicContact CG1-CG 4Å; Q381-F383 HydrophobicContact CB-CE2 4.21Å; Q381-F383 HydrophobicContact CB-CZ 4.2Å; Q381-F383 HydrophobicContact CG-CE1 4.15Å; Q381-F383 HydrophobicContact CG-CE2 4.25Å; Q381-F383 HydrophobicContact CG-CZ 3.96Å; Q381-I388 WeakPolarHBondContact CA-O 3Å; Q381-L389 HydrophobicContact CB-CD1 3.95Å |
| 382 | T | 64.6 | Low | 74.8 | Confident | 31 Ų | 31 | 67.4 Ų | 67.4 | 19% | 0.19 | 33% | 0.329 | C | S | . | . | trans | -85.2 | 115.1 | 173.1 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | N384 S387 I388 Y390 | T382-N384 PolarHBondContact O-N 2.88Å; T382-S387 WeakPolarHBondContact O-CA 3.35Å; T382-I388 PolarHBondContact N-O 3.44Å; T382-I388 WeakPolarHBondContact OG1-CB 3.01Å; T382-I388 PolarHBondContact OG1-N 2.93Å; T382-I388 PolarHBondContact OG1-O 2.74Å; T382-Y390 HydrophobicContact CG2-CD1 4.42Å; T382-Y390 HydrophobicContact CG2-CE1 3.89Å | ||
| 383 | F | 52.4 | Low | 75.3 | Confident | 86 Ų | 86 | 62.6 Ų | 62.6 | 38% | 0.377 | 31% | 0.307 | S | S | . | . | trans | -81.6 | 62.6 | 179.1 | -67.6 | -78.4 | 0 | 0 | 0 | 112.3 | Q381 K1420 | Q381-F383 HydrophobicContact CB-CE2 4.21Å; Q381-F383 HydrophobicContact CB-CZ 4.2Å; Q381-F383 HydrophobicContact CG-CE1 4.15Å; Q381-F383 HydrophobicContact CG-CE2 4.25Å; Q381-F383 HydrophobicContact CG-CZ 3.96Å; F383-K1420 HydrophobicContact CB-CD 4.48Å; F383-K1420 PolarHBondContact O-NZ 3.33Å | ||
| 384 | N | 51.9 | Low | 75.4 | Confident | 38 Ų | 38 | 62 Ų | 62 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -128.9 | 170.1 | 178.9 | -86.6 | -31.9 | 0 | 0 | 0 | 112 | T382 F386 S387 | T382-N384 PolarHBondContact O-N 2.88Å; N384-F386 CarbonylContact O-C 3.51Å; N384-F386 VanDerWaalsContact O-C 3.29Å; N384-F386 PolarHBondContact O-N 2.76Å; N384-S387 WeakPolarHBondContact O-CA 3.1Å; N384-S387 PolarHBondContact O-N 3.4Å; N384-S387 VanDerWaalsContact O-N 3.08Å; N384-S387 PolarHBondContact O-OG 3.02Å |
| 385 | K | 41.4 | Very low | 75.4 | Confident | 162 Ų | 162 | 59.4 Ų | 59.4 | 70% | 0.704 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -59.9 | -26.1 | -174.1 | -158.7 | 167.2 | -165.9 | 157 | 0 | 114.4 | N1279 | K385-N1279 WeakPolarHBondContact CD-OD1 3.14Š|
| 386 | F | 47.9 | Very low | 75.2 | Confident | 168 Ų | 168 | 61.3 Ų | 61.3 | 74% | 0.737 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -106.7 | 94.9 | 157.2 | -57.6 | -77.7 | 0 | 0 | 0 | 106.2 | N384 I388 | N384-F386 CarbonylContact O-C 3.51Å; N384-F386 VanDerWaalsContact O-C 3.29Å; N384-F386 PolarHBondContact O-N 2.76Å; F386-I388 PolarHBondContact O-N 3.3Å |
| 387 | S | 58.4 | Low | 74.7 | Confident | 40 Ų | 40 | 58.2 Ų | 58.2 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | trans | -75.5 | 125 | -180 | -40 | 0 | 0 | 0 | 0 | 108.1 | T382 N384 | T382-S387 WeakPolarHBondContact O-CA 3.35Å; N384-S387 WeakPolarHBondContact O-CA 3.1Å; N384-S387 PolarHBondContact O-N 3.4Å; N384-S387 VanDerWaalsContact O-N 3.08Å; N384-S387 PolarHBondContact O-OG 3.02Å | ||
| 388 | I | 67.1 | Low | 74.3 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 18% | 0.179 | 28% | 0.277 | C | S | . | . | trans | -121 | 124.8 | -179.2 | -49.6 | -179.1 | 0 | 0 | 0 | 108.4 | Y326 T327 Q381 T382 F386 | Y326-I388 WeakPolarHBondContact O-CA 3.32Å; T327-I388 HydrophobicContact CG2-CD1 4.49Å; T327-I388 HydrophobicContact CG2-CG1 4.33Å; T327-I388 HydrophobicContact CG2-CG2 4.49Å; Q381-I388 WeakPolarHBondContact CA-O 3Å; T382-I388 PolarHBondContact N-O 3.44Å; T382-I388 WeakPolarHBondContact OG1-CB 3.01Å; T382-I388 PolarHBondContact OG1-N 2.93Å; T382-I388 PolarHBondContact OG1-O 2.74Å; F386-I388 PolarHBondContact O-N 3.3Å | ||
| 389 | L | 81.5 | Confident | 73.5 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 126 | 168.5 | -168.4 | 76.6 | 0 | 0 | 0 | 107.9 | S325 Y326 V332 P335 I336 T379 H380 Q381 | S325-L389 CarbonylContact C-O 3.57Å; S325-L389 VanDerWaalsContact CA-O 3.32Å; S325-L389 WeakPolarHBondContact CA-O 3.37Å; Y326-L389 PolarHBondContact N-O 2.87Å; Y326-L389 PolarHBondContact O-N 3.01Å; V332-L389 HydrophobicContact CG1-CB 4.48Å; V332-L389 HydrophobicContact CG2-CB 4.09Å; P335-L389 HydrophobicContact CB-CD1 3.94Å; P335-L389 HydrophobicContact CB-CD2 4.12Å; I336-L389 HydrophobicContact CB-CD2 4.35Å; T379-L389 HydrophobicContact CG2-CD2 4.41Å; T379-L389 HydrophobicContact CG2-CG 4.3Å; T379-L389 VanDerWaalsContact OG1-CD1 3.28Å; T379-L389 WeakPolarHBondContact OG1-CD1 3.34Å; H380-L389 CarbonylContact O-C 3.54Å; H380-L389 WeakPolarHBondContact O-CA 2.97Å; Q381-L389 HydrophobicContact CB-CD1 3.95Å |
| 390 | Y | 85.7 | Confident | 72.7 | Confident | 52 Ų | 52 | 56.1 Ų | 56.1 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 157 | -174.2 | 76 | -72.4 | 0 | 0 | 0 | 113.6 | I323 G324 T379 H380 T382 Y392 | I323-Y390 HydrophobicContact CG2-CD2 4.1Å; G324-Y390 VanDerWaalsContact O-CA 3.26Å; G324-Y390 WeakPolarHBondContact O-CA 3.25Å; T379-Y390 CarbonylContact C-O 3.57Å; T379-Y390 WeakPolarHBondContact CA-O 3.36Å; H380-Y390 HydrophobicContact CB-CD1 4.24Å; H380-Y390 HydrophobicContact CB-CE1 3.69Å; H380-Y390 PolarHBondContact N-O 2.82Å; H380-Y390 VanDerWaalsContact O-CD1 3.27Å; H380-Y390 WeakPolarHBondContact O-CD1 3.05Å; H380-Y390 PolarHBondContact O-N 3.24Å; T382-Y390 HydrophobicContact CG2-CD1 4.42Å; T382-Y390 HydrophobicContact CG2-CE1 3.89Å; Y390-Y392 HydrophobicContact CD2-CD1 4.38Å; Y390-Y392 HydrophobicContact CE2-CD1 4.03Å; Y390-Y392 HydrophobicContact CE2-CE1 4.38Å |
| 391 | A | 87.3 | Confident | 71.5 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 163.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | I323 G324 L339 F341 L377 | I323-A391 CarbonylContact C-O 3.58Å; I323-A391 WeakPolarHBondContact CA-O 3.42Å; I323-A391 WeakPolarHBondContact CG2-O 3.47Å; G324-A391 PolarHBondContact N-O 2.81Å; G324-A391 PolarHBondContact O-N 3.01Å; L339-A391 HydrophobicContact CB-CB 4.18Å; L339-A391 HydrophobicContact CD1-CB 4.05Å; F341-A391 HydrophobicContact CE2-CB 3.79Å; F341-A391 HydrophobicContact CZ-CB 3.92Å; F341-A391 WeakPolarHBondContact CZ-O 2.97Å; L377-A391 HydrophobicContact CB-CB 4.13Å |
| 392 | Y | 88.8 | Confident | 70.6 | Confident | 96 Ų | 96 | 59.4 Ų | 59.4 | 38% | 0.376 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 134.3 | -179.5 | 64 | -91.4 | 0 | 0 | 0 | 113.5 | I321 C322 L377 Y390 K394 | I321-Y392 HydrophobicContact CG2-CD2 4.17Å; C322-Y392 CarbonylContact O-C 3.55Å; C322-Y392 VanDerWaalsContact O-CA 3.27Å; C322-Y392 WeakPolarHBondContact O-CA 3.47Å; L377-Y392 WeakPolarHBondContact CD1-O 3.03Å; Y390-Y392 HydrophobicContact CD2-CD1 4.38Å; Y390-Y392 HydrophobicContact CE2-CD1 4.03Å; Y390-Y392 HydrophobicContact CE2-CE1 4.38Å; Y392-K394 HydrophobicContact CD2-CG 4.45Å |
| 393 | S | 90.5 | Very high | 69.7 | Low | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 144.4 | 174 | -179.9 | 0 | 0 | 0 | 0 | 111 | I321 C322 W343 E375 | I321-S393 CarbonylContact C-O 3.57Å; I321-S393 WeakPolarHBondContact CA-O 3.47Å; C322-S393 PolarHBondContact N-O 2.86Å; C322-S393 PolarHBondContact O-N 2.86Å; W343-S393 PolarHBondContact NE1-OG 2.83Å; E375-S393 WeakPolarHBondContact OE1-CA 3.35Å; E375-S393 WeakPolarHBondContact OE1-CB 3.1Å; E375-S393 PolarHBondContact OE1-OG 3.04Å |
| 394 | K | 87.3 | Confident | 69.2 | Low | 90 Ų | 90 | 64.4 Ų | 64.4 | 39% | 0.391 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 126.3 | 176.7 | -69.8 | 172.5 | 175.2 | 162.4 | 0 | 109.7 | L320 I321 R373 Y392 | L320-K394 WeakPolarHBondContact O-CA 3.27Å; I321-K394 HydrophobicContact CG1-CG 4.27Å; I321-K394 HydrophobicContact CG2-CG 4.29Å; R373-K394 VanDerWaalsContact CZ-O 3.23Å; R373-K394 PolarHBondContact NH1-O 3.04Å; R373-K394 PolarHBondContact NH2-O 3.03Å; Y392-K394 HydrophobicContact CD2-CG 4.45Å |
| 395 | Y | 86.7 | Confident | 68.6 | Low | 24 Ų | 24 | 70.8 Ų | 70.8 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 122.3 | 178.6 | 174.5 | -81.9 | 0 | 0 | 0 | 109.3 | L320 W343 I345 E372 L397 | L320-Y395 HydrophobicContact CD1-CD1 4.02Å; L320-Y395 PolarHBondContact N-O 2.84Å; L320-Y395 PolarHBondContact O-N 2.97Å; W343-Y395 HydrophobicContact CB-CD2 3.77Å; W343-Y395 HydrophobicContact CB-CE2 4.08Å; W343-Y395 HydrophobicContact CB-CG 4.48Å; W343-Y395 HydrophobicContact CD2-CD2 4.05Å; W343-Y395 AromaticContact CD2-CG 3.88Å; W343-Y395 HydrophobicContact CD2-CG 3.88Å; W343-Y395 VanDerWaalsContact CE2-CB 3.47Å; W343-Y395 HydrophobicContact CE3-CD1 4.35Å; W343-Y395 HydrophobicContact CE3-CD2 4.44Å; W343-Y395 HydrophobicContact CE3-CG 4.02Å; W343-Y395 AromaticContact CG-CD2 3.78Å; W343-Y395 HydrophobicContact CG-CD2 3.78Å; W343-Y395 HydrophobicContact CG-CG 4.12Å; W343-Y395 HydrophobicContact CZ3-CG 4.47Å; I345-Y395 WeakPolarHBondContact CD1-OH 3.02Å; E372-Y395 WeakPolarHBondContact OE2-CE2 3.22Å; E372-Y395 PolarHBondContact OE2-OH 2.81Å; Y395-L397 HydrophobicContact CE1-CB 4.12Å; Y395-L397 HydrophobicContact CE1-CD1 4.04Å |
| 396 | D | 84.7 | Confident | 68.4 | Low | 77 Ų | 77 | 69.7 Ų | 69.7 | 41% | 0.412 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 113.6 | -175.7 | -68.9 | -14.7 | 0 | 0 | 0 | 109.9 | R319 | R319-D396 VanDerWaalsContact CB-OD1 3.3Å; R319-D396 WeakPolarHBondContact CB-OD1 3.29Å; R319-D396 VanDerWaalsContact CG-OD1 3.24Å; R319-D396 WeakPolarHBondContact CG-OD1 3.39Å; R319-D396 IonicContact CZ-OD1 3.66Å; R319-D396 IonicContact CZ-OD2 2.67Å; R319-D396 IonicContact NE-OD1 3.58Å; R319-D396 PolarHBondContact NE-OD1 2.82Å; R319-D396 IonicContact NE-OD2 3.89Å; R319-D396 IonicContact NH2-OD1 3.56Å; R319-D396 PolarHBondContact NH2-OD1 2.81Å; R319-D396 IonicContact NH2-OD2 2.72Å; R319-D396 PolarHBondContact NH2-OD2 2.95Å |
| 397 | L | 80.3 | Confident | 67.7 | Low | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122 | -177.5 | -176.8 | 77 | 0 | 0 | 0 | 110.9 | L318 L320 I345 Y395 L399 I415 I435 | L318-L397 PolarHBondContact N-O 2.78Å; L318-L397 PolarHBondContact O-N 2.04Å; L320-L397 HydrophobicContact CD1-CB 3.66Å; L320-L397 HydrophobicContact CD1-CD2 4.33Å; I345-L397 HydrophobicContact CD1-CD1 4.05Å; Y395-L397 HydrophobicContact CE1-CB 4.12Å; Y395-L397 HydrophobicContact CE1-CD1 4.04Å; L397-L399 HydrophobicContact CD2-CD2 3.57Å; L397-L399 HydrophobicContact CD2-CG 3.88Å; L397-L399 HydrophobicContact CG-CD2 4.2Å; L397-L399 HydrophobicContact CG-CG 4.29Å; L397-I415 HydrophobicContact CD1-CD1 4.01Å; L397-I415 HydrophobicContact CD2-CD1 3.76Å; L397-I415 HydrophobicContact CG-CD1 4.39Å; L397-I435 HydrophobicContact CD2-CD1 3.55Å |
| 398 | D | 77.9 | Confident | 66.6 | Low | 46 Ų | 46 | 73 Ų | 73 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 102.2 | 171.1 | -178 | -5.7 | 0 | 0 | 0 | 110.1 | S400 K401 | D398-S400 PolarHBondContact O-N 2.03Å; D398-S400 WeakPolarHBondContact OD1-CB 3.21Å; D398-S400 PolarHBondContact OD1-N 3.35Å; D398-S400 PolarHBondContact OD1-OG 3.48Å; D398-S400 PolarHBondContact OD2-OG 2.96Å; D398-K401 HydrophobicContact CB-CD 4.24Å; D398-K401 HydrophobicContact CB-CG 4.42Å; D398-K401 PolarHBondContact O-N 2.82Å; D398-K401 WeakPolarHBondContact OD2-CE 3.41Å; D398-K401 IonicContact OD2-NZ 3.84Å |
| 399 | L | 70.8 | Confident | 65.2 | Low | 6 Ų | 6 | 76.5 Ų | 76.5 | 3% | 0.031 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 7.2 | -179.2 | -73.9 | 173.9 | 0 | 0 | 0 | 113.8 | I311 T315 K316 L318 L397 K437 | I311-L399 HydrophobicContact CD1-CD1 3.47Å; I311-L399 VanDerWaalsContact CD1-CD1 3.47Å; T315-L399 WeakPolarHBondContact O-CD1 2.97Å; K316-L399 WeakPolarHBondContact O-CB 3.37Å; K316-L399 PolarHBondContact O-N 2.8Å; L318-L399 HydrophobicContact CD1-CD1 3.74Å; L318-L399 HydrophobicContact CG-CD1 4.38Å; L397-L399 HydrophobicContact CD2-CD2 3.57Å; L397-L399 HydrophobicContact CD2-CG 3.88Å; L397-L399 HydrophobicContact CG-CD2 4.2Å; L397-L399 HydrophobicContact CG-CG 4.29Å; L399-K437 PolarHBondContact O-NZ 2.69Å |
| 400 | S | 65.6 | Low | 63.5 | Low | 68 Ų | 68 | 80.3 Ų | 80.3 | 48% | 0.476 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -18.7 | 169.3 | 74.6 | 0 | 0 | 0 | 0 | 113.7 | D398 S403 | D398-S400 PolarHBondContact O-N 2.03Å; D398-S400 WeakPolarHBondContact OD1-CB 3.21Å; D398-S400 PolarHBondContact OD1-N 3.35Å; D398-S400 PolarHBondContact OD1-OG 3.48Å; D398-S400 PolarHBondContact OD2-OG 2.96Å; S400-S403 PolarHBondContact O-OG 3.14Å |
| 401 | K | 57.9 | Low | 62.1 | Low | 167 Ų | 167 | 82.1 Ų | 82.1 | 73% | 0.726 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -18.4 | 177.8 | -68.2 | 178 | -178.2 | 172.8 | 0 | 113.9 | D398 S403 | D398-K401 HydrophobicContact CB-CD 4.24Å; D398-K401 HydrophobicContact CB-CG 4.42Å; D398-K401 PolarHBondContact O-N 2.82Å; D398-K401 WeakPolarHBondContact OD2-CE 3.41Å; D398-K401 IonicContact OD2-NZ 3.84Å; K401-S403 VanDerWaalsContact C-N 3.26Å; K401-S403 PolarHBondContact O-N 2.8Å |
| 402 | T | 54.9 | Low | 61.1 | Low | 54 Ų | 54 | 83.7 Ų | 83.7 | 33% | 0.331 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 9.8 | 178.9 | 51.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 403 | S | 45.2 | Very low | 60.4 | Low | 75 Ų | 75 | 79.7 Ų | 79.7 | 52% | 0.524 | 45% | 0.445 | S | S | . | . | trans | -117.3 | 74 | 177.6 | 58 | 0 | 0 | 0 | 0 | 111.8 | S400 K401 | S400-S403 PolarHBondContact O-OG 3.14Å; K401-S403 VanDerWaalsContact C-N 3.26Å; K401-S403 PolarHBondContact O-N 2.8Å | ||
| 404 | N | 40.7 | Very low | 59.9 | Low | 147 Ų | 147 | 80 Ų | 80 | 79% | 0.786 | 45% | 0.446 | S | S | * | . | trans | -128.7 | 133 | 159.2 | -98.1 | -3 | 0 | 0 | 0 | 109.2 | ||||
| 405 | E | 39.5 | Very low | 59.7 | Low | 173 Ų | 173 | 75.8 Ų | 75.8 | 81% | 0.808 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 69.2 | 124.6 | 163.4 | -61.2 | -179.5 | -166.7 | 0 | 0 | 120.3 | ||
| 406 | T | 37.9 | Very low | 59.6 | Low | 138 Ų | 138 | 74.6 Ų | 74.6 | 85% | 0.847 | 42% | 0.423 | S | S | * | . | trans | 75.8 | 135 | 169.9 | 71.7 | 0 | 0 | 0 | 0 | 119.3 | S408 | T406-S408 PolarHBondContact O-N 2.86Š| ||
| 407 | N | 33.5 | Very low | 59.7 | Low | 175 Ų | 175 | 71 Ų | 71 | 94% | 0.936 | 40% | 0.404 | S | S | * | . | trans | -82.6 | 109.8 | -175.9 | -68 | -48 | 0 | 0 | 0 | 111.4 | ||||
| 408 | S | 34.9 | Very low | 60.1 | Low | 103 Ų | 103 | 71 Ų | 71 | 72% | 0.72 | 40% | 0.404 | S | S | * | . | trans | -141.9 | 149.2 | 152.1 | 66.6 | 0 | 0 | 0 | 0 | 111.1 | T406 | T406-S408 PolarHBondContact O-N 2.86Š| ||
| 409 | S | 38.2 | Very low | 60.7 | Low | 108 Ų | 108 | 68.9 Ų | 68.9 | 76% | 0.755 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -67.8 | 151.1 | 177.1 | 53.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 410 | V | 44.6 | Very low | 61.4 | Low | 82 Ų | 82 | 70 Ų | 70 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | trans | 81.2 | 83.6 | 178.9 | -163.5 | 0 | 0 | 0 | 0 | 114 | N412 | V410-N412 HydrophobicContact CG1-CB 4.4Å; V410-N412 VanDerWaalsContact CG1-CG 3.44Å; V410-N412 VanDerWaalsContact CG1-ND2 3.3Å; V410-N412 WeakPolarHBondContact CG1-ND2 3.19Å; V410-N412 WeakPolarHBondContact CG1-OD1 3.35Å; V410-N412 PolarHBondContact O-N 2.95Å | ||
| 411 | N | 56.8 | Low | 62.1 | Low | 91 Ų | 91 | 67.2 Ų | 67.2 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | trans | -66.1 | 78.3 | 164 | -89.6 | -67.1 | 0 | 0 | 0 | 111 | K437 | N411-K437 HydrophobicContact CB-CB 4.44Å; N411-K437 HydrophobicContact CB-CD 3.98Å; N411-K437 HydrophobicContact CB-CG 4.42Å | ||
| 412 | N | 66.8 | Low | 62.9 | Low | 33 Ų | 33 | 63 Ų | 63 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 117.7 | 169.7 | -80.9 | -29.4 | 0 | 0 | 0 | 109.8 | V410 F414 Q434 I435 | V410-N412 HydrophobicContact CG1-CB 4.4Å; V410-N412 VanDerWaalsContact CG1-CG 3.44Å; V410-N412 VanDerWaalsContact CG1-ND2 3.3Å; V410-N412 WeakPolarHBondContact CG1-ND2 3.19Å; V410-N412 WeakPolarHBondContact CG1-OD1 3.35Å; V410-N412 PolarHBondContact O-N 2.95Å; N412-F414 HydrophobicContact CB-CD2 4.26Å; N412-F414 HydrophobicContact CB-CE2 3.7Å; N412-F414 HydrophobicContact CB-CZ 4.36Å; N412-Q434 VanDerWaalsContact CG-NE2 3.31Å; N412-Q434 PolarHBondContact ND2-NE2 2.97Å; N412-Q434 PolarHBondContact OD1-NE2 2.9Å; N412-I435 WeakPolarHBondContact CA-O 3.44Å |
| 413 | T | 74 | Confident | 63.5 | Low | 12 Ų | 12 | 64.3 Ų | 64.3 | 7% | 0.074 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 117.8 | 166.5 | -47.9 | 0 | 0 | 0 | 0 | 109.1 | I415 I435 | T413-I415 HydrophobicContact CG2-CD1 4.43Å; T413-I415 HydrophobicContact CG2-CG1 4.2Å; T413-I435 PolarHBondContact N-O 2.73Å; T413-I435 VanDerWaalsContact N-O 3.08Å; T413-I435 PolarHBondContact O-N 2.94Å |
| 414 | F | 79.2 | Confident | 64.3 | Low | 8 Ų | 8 | 64.4 Ų | 64.4 | 4% | 0.035 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 133 | 174.7 | -68.3 | -87.1 | 0 | 0 | 0 | 110.6 | L346 Q348 N412 I432 I433 Q434 | L346-F414 HydrophobicContact CB-CB 3.93Å; L346-F414 PolarHBondContact N-O 2.69Å; Q348-F414 HydrophobicContact CG-CD2 4.19Å; Q348-F414 HydrophobicContact CG-CE2 3.85Å; N412-F414 HydrophobicContact CB-CD2 4.26Å; N412-F414 HydrophobicContact CB-CE2 3.7Å; N412-F414 HydrophobicContact CB-CZ 4.36Å; F414-I432 HydrophobicContact CD1-CG2 4.11Å; F414-I433 VanDerWaalsContact CA-O 3.28Å; F414-I433 WeakPolarHBondContact CA-O 3.49Å; F414-Q434 HydrophobicContact CD1-CB 3.92Å; F414-Q434 HydrophobicContact CD1-CG 4.14Å; F414-Q434 HydrophobicContact CE1-CB 3.65Å; F414-Q434 HydrophobicContact CE1-CG 3.59Å; F414-Q434 HydrophobicContact CE2-CG 4.49Å; F414-Q434 HydrophobicContact CZ-CB 4.37Å; F414-Q434 HydrophobicContact CZ-CG 3.79Å |
| 415 | I | 83.3 | Confident | 65.2 | Low | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 126.4 | -176.9 | -55.8 | 179.1 | 0 | 0 | 0 | 109.3 | L320 W343 I345 L397 T413 I432 I433 I435 | L320-I415 HydrophobicContact CD1-CD1 3.96Å; L320-I415 HydrophobicContact CD2-CD1 4.01Å; W343-I415 HydrophobicContact CE3-CG2 3.76Å; W343-I415 HydrophobicContact CZ3-CG2 3.94Å; I345-I415 HydrophobicContact CG1-CG1 4.42Å; L397-I415 HydrophobicContact CD1-CD1 4.01Å; L397-I415 HydrophobicContact CD2-CD1 3.76Å; L397-I415 HydrophobicContact CG-CD1 4.39Å; T413-I415 HydrophobicContact CG2-CD1 4.43Å; T413-I415 HydrophobicContact CG2-CG1 4.2Å; I415-I432 WeakPolarHBondContact O-CA 3.44Å; I415-I433 PolarHBondContact N-O 2.67Å; I415-I433 PolarHBondContact O-N 2.62Å; I415-I435 HydrophobicContact CD1-CD1 3.88Å |
| 416 | L | 84.7 | Confident | 66.4 | Low | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 129.4 | 173.8 | 175.1 | 65.8 | 0 | 0 | 0 | 110.3 | W343 K344 L346 I365 W371 Q430 R431 I432 | W343-L416 WeakPolarHBondContact CA-O 3.36Å; K344-L416 HydrophobicContact CB-CB 4.46Å; K344-L416 PolarHBondContact N-O 2.93Å; K344-L416 VanDerWaalsContact N-O 3.17Å; K344-L416 WeakPolarHBondContact O-CB 3.13Å; K344-L416 PolarHBondContact O-N 2.89Å; L346-L416 HydrophobicContact CD1-CB 4.15Å; L346-L416 HydrophobicContact CG-CB 4.35Å; I365-L416 HydrophobicContact CD1-CD2 3.61Å; W371-L416 HydrophobicContact CH2-CD2 3.73Å; W371-L416 HydrophobicContact CZ3-CD2 3.77Å; W371-L416 HydrophobicContact CZ3-CG 4.27Å; L416-Q430 HydrophobicContact CD1-CB 4.01Å; L416-Q430 HydrophobicContact CD1-CG 4.16Å; L416-R431 WeakPolarHBondContact CA-O 3.27Å; L416-I432 HydrophobicContact CD1-CG1 3.86Å |
| 417 | C | 87.9 | Confident | 67.7 | Low | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.8 | 156.7 | -180 | 0 | 0 | 0 | 0 | 109.4 | I286 C322 R342 W343 Q430 R431 | I286-C417 HydrophobicContact CD1-CB 3.83Å; C322-C417 HydrophobicContact CB-CB 3.87Å; C322-C417 WeakPolarHBondContact CB-SG 3.49Å; C322-C417 WeakPolarHBondContact SG-CB 3.39Å; C322-C417 CovalentContact SG-SG 2.04Å; C322-C417 PolarHBondContact SG-SG 2.91Å; R342-C417 WeakPolarHBondContact O-CA 3.02Å; W343-C417 HydrophobicContact CD2-CB 4.43Å; W343-C417 HydrophobicContact CE3-CB 4.11Å; W343-C417 HydrophobicContact CH2-CB 4.36Å; W343-C417 HydrophobicContact CZ3-CB 4.07Å; C417-Q430 CarbonylContact O-C 3.58Å; C417-Q430 WeakPolarHBondContact O-CA 3.25Å; C417-R431 PolarHBondContact N-O 2.82Å; C417-R431 PolarHBondContact O-N 2.78Å |
| 418 | E | 88.3 | Confident | 69.5 | Low | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.028 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 142.5 | 169.3 | 176 | 173.5 | 104.6 | 0 | 0 | 110.1 | F341 R342 W371 T420 I428 S429 Q430 | F341-E418 CarbonylContact C-O 3.52Å; F341-E418 VanDerWaalsContact CA-O 3.3Å; F341-E418 WeakPolarHBondContact CA-O 3.41Å; R342-E418 HydrophobicContact CB-CB 4.23Å; R342-E418 WeakPolarHBondContact CD-OE1 3.3Å; R342-E418 IonicContact CZ-OE1 3.88Å; R342-E418 PolarHBondContact N-O 3.4Å; R342-E418 IonicContact NE-OE1 4Å; R342-E418 IonicContact NH1-OE1 3.57Å; R342-E418 PolarHBondContact NH1-OE1 2.02Å; R342-E418 PolarHBondContact O-N 2.88Å; W371-E418 HydrophobicContact CH2-CB 3.72Å; W371-E418 HydrophobicContact CH2-CG 4.34Å; W371-E418 WeakPolarHBondContact CH2-OE2 3.13Å; W371-E418 HydrophobicContact CZ3-CB 4.01Å; E418-T420 HydrophobicContact CG-CG2 4.16Å; E418-I428 HydrophobicContact CG-CG2 3.6Å; E418-S429 WeakPolarHBondContact CA-O 3.46Å; E418-Q430 HydrophobicContact CB-CG 4.06Å; E418-Q430 HydrophobicContact CG-CG 4.04Å; E418-Q430 PolarHBondContact OE2-NE2 2.72Å |
| 419 | V | 88.9 | Confident | 71.7 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 125.2 | 172.3 | -173.4 | 0 | 0 | 0 | 0 | 110.9 | P282 I284 L339 C340 F341 S429 | P282-V419 HydrophobicContact CB-CG1 4.4Å; P282-V419 HydrophobicContact CG-CB 4.18Å; P282-V419 HydrophobicContact CG-CG1 3.86Å; I284-V419 HydrophobicContact CD1-CB 3.83Å; I284-V419 HydrophobicContact CD1-CG2 3.6Å; I284-V419 HydrophobicContact CG1-CB 3.99Å; I284-V419 HydrophobicContact CG1-CG2 3.69Å; L339-V419 HydrophobicContact CB-CG1 4.14Å; L339-V419 HydrophobicContact CD2-CG1 3.93Å; L339-V419 HydrophobicContact CG-CG1 4.48Å; C340-V419 WeakPolarHBondContact O-CA 3.45Å; F341-V419 HydrophobicContact CD1-CG2 3.49Å; F341-V419 VanDerWaalsContact CD1-CG2 3.49Å; F341-V419 HydrophobicContact CE1-CG1 4.22Å; F341-V419 HydrophobicContact CE1-CG2 3.56Å; F341-V419 HydrophobicContact CG-CG2 4.32Å; F341-V419 HydrophobicContact CZ-CG1 4.31Å; F341-V419 HydrophobicContact CZ-CG2 4.43Å; V419-S429 PolarHBondContact N-O 3.13Å; V419-S429 PolarHBondContact O-N 3.18Å; V419-S429 VanDerWaalsContact O-N 3.15Å |
| 420 | T | 86.8 | Confident | 73.8 | Confident | 29 Ų | 29 | 46.3 Ų | 46.3 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 157.7 | 179.5 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | C340 E418 I428 | C340-T420 WeakPolarHBondContact CB-OG1 3.18Å; C340-T420 PolarHBondContact N-O 3.18Å; C340-T420 PolarHBondContact O-N 3.41Å; C340-T420 PolarHBondContact O-OG1 2.87Å; E418-T420 HydrophobicContact CG-CG2 4.16Å; T420-I428 HydrophobicContact CG2-CB 4.37Å; T420-I428 HydrophobicContact CG2-CD1 4.39Å; T420-I428 HydrophobicContact CG2-CG1 3.98Å; T420-I428 HydrophobicContact CG2-CG2 3.91Å |
| 421 | T | 80.8 | Confident | 75.5 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | trans | -112.2 | 100.9 | 176.8 | 52.6 | 0 | 0 | 0 | 0 | 109.9 | Y326 I336 L339 D423 R424 A426 | Y326-T421 HydrophobicContact CE2-CG2 4Å; I336-T421 HydrophobicContact CD1-CG2 3.94Å; I336-T421 HydrophobicContact CG2-CG2 4.23Å; L339-T421 HydrophobicContact CD2-CG2 3.61Å; T421-D423 PolarHBondContact O-N 2.84Å; T421-R424 PolarHBondContact O-N 3.23Å; T421-R424 PolarHBondContact OG1-O 2.71Å; T421-A426 WeakPolarHBondContact OG1-CB 2.97Å | ||
| 422 | P | 73.7 | Confident | 76.5 | Confident | 78 Ų | 78 | 40.7 Ų | 40.7 | 51% | 0.506 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -34.1 | 179.8 | 22.9 | -33.4 | 0 | 0 | 0 | 112.6 | K338 R424 | K338-P422 HydrophobicContact CB-CG 4.32Å; P422-R424 VanDerWaalsContact C-N 3.28Å; P422-R424 PolarHBondContact O-N 2.82Å |
| 423 | D | 67.3 | Low | 77 | Confident | 82 Ų | 82 | 39.1 Ų | 39.1 | 44% | 0.439 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -3.5 | -173.9 | -46.2 | -21.1 | 0 | 0 | 0 | 114.1 | I336 S337 T421 | I336-D423 HydrophobicContact CG2-CB 4.23Å; S337-D423 WeakPolarHBondContact CA-OD2 3.37Å; S337-D423 VanDerWaalsContact CB-OD2 3.29Å; S337-D423 WeakPolarHBondContact CB-OD2 3.42Å; S337-D423 PolarHBondContact N-OD2 2.83Å; S337-D423 PolarHBondContact OG-OD1 3.24Å; S337-D423 PolarHBondContact OG-OD2 2.84Å; T421-D423 PolarHBondContact O-N 2.84Å |
| 424 | R | 62.6 | Low | 77.3 | Confident | 76 Ų | 76 | 40 Ų | 40 | 29% | 0.287 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -149.6 | 141.3 | -176.7 | -68.5 | -167.4 | 175 | 141.2 | 15.5 | 112.7 | K334 I336 T421 P422 A426 | K334-R424 VanDerWaalsContact O-CZ 3.32Å; K334-R424 PolarHBondContact O-NH1 3.22Å; K334-R424 PolarHBondContact O-NH2 2.95Å; I336-R424 HydrophobicContact CG1-CG 4.39Å; T421-R424 PolarHBondContact O-N 3.23Å; T421-R424 PolarHBondContact OG1-O 2.71Å; P422-R424 VanDerWaalsContact C-N 3.28Å; P422-R424 PolarHBondContact O-N 2.82Å; R424-A426 PolarHBondContact O-N 3.45Å |
| 425 | M | 60.2 | Low | 77.2 | Confident | 185 Ų | 185 | 39.7 Ų | 39.7 | 91% | 0.911 | 21% | 0.209 | S | C | * | . | trans | -71.7 | 54.2 | 168.2 | -57.5 | 177.2 | 77.5 | 0 | 0 | 111.9 | ||||
| 426 | A | 63.2 | Low | 76.6 | Confident | 17 Ų | 17 | 41.1 Ų | 41.1 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -83 | 146.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | V279 T421 R424 | V279-A426 HydrophobicContact CG1-CB 3.68Å; T421-A426 WeakPolarHBondContact OG1-CB 2.97Å; R424-A426 PolarHBondContact O-N 3.45Å |
| 427 | P | 66.3 | Low | 75.9 | Confident | 76 Ų | 76 | 43.3 Ų | 43.3 | 49% | 0.494 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -61.8 | 146.5 | 173.5 | 22 | -27.6 | 0 | 0 | 0 | 111 | V279 S281 | V279-P427 VanDerWaalsContact O-CD 3.31Å; V279-P427 WeakPolarHBondContact O-CD 3.02Å; S281-P427 WeakPolarHBondContact CB-O 3.3Å |
| 428 | I | 72.1 | Confident | 74.8 | Confident | 98 Ų | 98 | 44.9 Ų | 44.9 | 50% | 0.503 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -59.8 | 140.3 | 178.8 | -57.6 | -177 | 0 | 0 | 0 | 109.5 | E418 T420 Q430 | E418-I428 HydrophobicContact CG-CG2 3.6Å; T420-I428 HydrophobicContact CG2-CB 4.37Å; T420-I428 HydrophobicContact CG2-CD1 4.39Å; T420-I428 HydrophobicContact CG2-CG1 3.98Å; T420-I428 HydrophobicContact CG2-CG2 3.91Å; I428-Q430 HydrophobicContact CG2-CG 4.06Å |
| 429 | S | 80.3 | Confident | 73.3 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 134.6 | 172.6 | -160.2 | 0 | 0 | 0 | 0 | 109.4 | P282 I284 E418 V419 | P282-S429 VanDerWaalsContact O-CB 3.26Å; P282-S429 WeakPolarHBondContact O-CB 3.4Å; P282-S429 PolarHBondContact O-OG 2.72Å; I284-S429 VanDerWaalsContact CD1-C 3.45Å; I284-S429 WeakPolarHBondContact CD1-O 3.46Å; I284-S429 WeakPolarHBondContact CD1-OG 3.42Å; E418-S429 WeakPolarHBondContact CA-O 3.46Å; V419-S429 PolarHBondContact N-O 3.13Å; V419-S429 PolarHBondContact O-N 3.18Å; V419-S429 VanDerWaalsContact O-N 3.15Å |
| 430 | Q | 82.2 | Confident | 71.5 | Confident | 68 Ų | 68 | 54.4 Ų | 54.4 | 32% | 0.318 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 147.6 | -177 | -77.6 | 174.6 | -5.5 | 0 | 0 | 111.4 | L416 C417 E418 I428 | L416-Q430 HydrophobicContact CD1-CB 4.01Å; L416-Q430 HydrophobicContact CD1-CG 4.16Å; C417-Q430 CarbonylContact O-C 3.58Å; C417-Q430 WeakPolarHBondContact O-CA 3.25Å; E418-Q430 HydrophobicContact CB-CG 4.06Å; E418-Q430 HydrophobicContact CG-CG 4.04Å; E418-Q430 PolarHBondContact OE2-NE2 2.72Å; I428-Q430 HydrophobicContact CG2-CG 4.06Å |
| 431 | R | 79.3 | Confident | 69.8 | Low | 36 Ų | 36 | 61.9 Ų | 61.9 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 119.1 | 178.8 | -85.7 | -77.8 | 157.8 | -137 | -9.7 | 110.6 | I284 I286 N303 I304 L416 C417 | I284-R431 HydrophobicContact CB-CG 3.62Å; I284-R431 HydrophobicContact CD1-CG 4.21Å; I284-R431 HydrophobicContact CG2-CB 4.11Å; I284-R431 HydrophobicContact CG2-CG 3.59Å; I286-R431 HydrophobicContact CD1-CB 3.56Å; I286-R431 HydrophobicContact CD1-CG 4.25Å; I286-R431 HydrophobicContact CG1-CB 4.36Å; N303-R431 PolarHBondContact OD1-NH2 3.47Å; I304-R431 PolarHBondContact O-NH1 3.43Å; L416-R431 WeakPolarHBondContact CA-O 3.27Å; C417-R431 PolarHBondContact N-O 2.82Å; C417-R431 PolarHBondContact O-N 2.78Å |
| 432 | I | 79.3 | Confident | 68.3 | Low | 19 Ų | 19 | 67 Ų | 67 | 10% | 0.097 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 136.6 | 170 | -59.2 | 172.6 | 0 | 0 | 0 | 109.8 | I306 L307 L346 F414 I415 L416 | I306-I432 HydrophobicContact CG1-CB 4.43Å; I306-I432 HydrophobicContact CG1-CG2 4.44Å; L307-I432 PolarHBondContact N-O 2.91Å; L346-I432 HydrophobicContact CD1-CD1 3.98Å; L346-I432 HydrophobicContact CD1-CG1 4.2Å; L346-I432 HydrophobicContact CD1-CG2 4.46Å; F414-I432 HydrophobicContact CD1-CG2 4.11Å; I415-I432 WeakPolarHBondContact O-CA 3.44Å; L416-I432 HydrophobicContact CD1-CG1 3.86Å |
| 433 | I | 77.6 | Confident | 67.4 | Low | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 145.7 | 175.5 | -42.4 | 165.9 | 0 | 0 | 0 | 108.1 | I286 F309 L320 F414 I415 | I286-I433 HydrophobicContact CB-CD1 4.33Å; I286-I433 HydrophobicContact CD1-CD1 3.75Å; I286-I433 HydrophobicContact CD1-CG1 3.95Å; I286-I433 HydrophobicContact CG2-CD1 3.67Å; F309-I433 HydrophobicContact CD2-CG2 3.6Å; F309-I433 HydrophobicContact CE2-CG2 3.78Å; L320-I433 HydrophobicContact CD2-CD1 3.43Å; L320-I433 VanDerWaalsContact CD2-CD1 3.43Å; F414-I433 VanDerWaalsContact CA-O 3.28Å; F414-I433 WeakPolarHBondContact CA-O 3.49Å; I415-I433 PolarHBondContact N-O 2.67Å; I415-I433 PolarHBondContact O-N 2.62Å |
| 434 | Q | 78.9 | Confident | 66.8 | Low | 30 Ų | 30 | 65 Ų | 65 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.9 | 169.4 | -177.3 | -176.6 | -9.9 | 0 | 0 | 109.1 | I306 L307 I308 F309 N412 F414 V436 | I306-Q434 HydrophobicContact CG2-CB 4.06Å; L307-Q434 PolarHBondContact O-N 2.72Å; I308-Q434 WeakPolarHBondContact CA-O 3.03Å; I308-Q434 HydrophobicContact CG1-CB 4.36Å; F309-Q434 PolarHBondContact N-O 2.68Å; N412-Q434 VanDerWaalsContact CG-NE2 3.31Å; N412-Q434 PolarHBondContact ND2-NE2 2.97Å; N412-Q434 PolarHBondContact OD1-NE2 2.9Å; F414-Q434 HydrophobicContact CD1-CB 3.92Å; F414-Q434 HydrophobicContact CD1-CG 4.14Å; F414-Q434 HydrophobicContact CE1-CB 3.65Å; F414-Q434 HydrophobicContact CE1-CG 3.59Å; F414-Q434 HydrophobicContact CE2-CG 4.49Å; F414-Q434 HydrophobicContact CZ-CB 4.37Å; F414-Q434 HydrophobicContact CZ-CG 3.79Å; Q434-V436 HydrophobicContact CG-CG2 3.98Å |
| 435 | I | 76.5 | Confident | 66.6 | Low | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 126.1 | 172.6 | -60.6 | 174.7 | 0 | 0 | 0 | 108.2 | I311 L318 L320 L397 N412 T413 I415 | I311-I435 HydrophobicContact CD1-CG2 3.44Å; I311-I435 VanDerWaalsContact CD1-CG2 3.44Å; I311-I435 HydrophobicContact CG1-CG2 3.93Å; L318-I435 HydrophobicContact CD1-CD1 4.29Å; L320-I435 HydrophobicContact CD2-CD1 4.48Å; L397-I435 HydrophobicContact CD2-CD1 3.55Å; N412-I435 WeakPolarHBondContact CA-O 3.44Å; T413-I435 PolarHBondContact N-O 2.73Å; T413-I435 VanDerWaalsContact N-O 3.08Å; T413-I435 PolarHBondContact O-N 2.94Å; I415-I435 HydrophobicContact CD1-CD1 3.88Å |
| 436 | V | 72.4 | Confident | 67 | Low | 30 Ų | 30 | 58.6 Ų | 58.6 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 117.8 | -178.1 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | I308 F309 I311 Q434 T438 | I308-V436 HydrophobicContact CG2-CG2 3.69Å; F309-V436 PolarHBondContact O-N 2.76Å; I311-V436 WeakPolarHBondContact CG1-O 3.42Å; I311-V436 PolarHBondContact N-O 2.92Å; Q434-V436 HydrophobicContact CG-CG2 3.98Å; V436-T438 PolarHBondContact O-N 3.06Å |
| 437 | K | 69.7 | Low | 67.3 | Low | 47 Ų | 47 | 61.2 Ų | 61.2 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 117.1 | 170.6 | -65.5 | 176.6 | -177.3 | 171.2 | 0 | 109 | I311 L399 N411 | I311-K437 HydrophobicContact CD1-CG 3.97Å; I311-K437 HydrophobicContact CG1-CG 4.08Å; I311-K437 WeakPolarHBondContact O-CA 3.03Å; L399-K437 PolarHBondContact O-NZ 2.69Å; N411-K437 HydrophobicContact CB-CB 4.44Å; N411-K437 HydrophobicContact CB-CD 3.98Å; N411-K437 HydrophobicContact CB-CG 4.42Å |
| 438 | T | 63.5 | Low | 67.5 | Low | 32 Ų | 32 | 60.3 Ų | 60.3 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 147.1 | 177.8 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | R310 I311 V436 | R310-T438 HydrophobicContact CB-CG2 3.88Å; R310-T438 HydrophobicContact CG-CG2 4.03Å; I311-T438 PolarHBondContact O-N 2.73Å; I311-T438 PolarHBondContact O-OG1 3.44Å; V436-T438 PolarHBondContact O-N 3.06Å |
| 439 | T | 57.4 | Low | 67.5 | Low | 117 Ų | 117 | 57.9 Ų | 57.9 | 72% | 0.718 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 136 | -178 | 41.8 | 0 | 0 | 0 | 0 | 112 | Q441 | T439-Q441 PolarHBondContact O-N 2.89Å; T439-Q441 VanDerWaalsContact O-N 3.12Å |
| 440 | N | 51.5 | Low | 66.9 | Low | 89 Ų | 89 | 61.5 Ų | 61.5 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -76.7 | 90.5 | -179.7 | -63.7 | -22.4 | 0 | 0 | 0 | 111.7 | H314 | H314-N440 PolarHBondContact NE2-ND2 2.82Å; H314-N440 VanDerWaalsContact NE2-ND2 3.1Å |
| 441 | Q | 51 | Low | 66.2 | Low | 187 Ų | 187 | 65.1 Ų | 65.1 | 87% | 0.874 | 33% | 0.329 | S | S | * | . | trans | -159.2 | -6 | 166.5 | -125.7 | 167.9 | 17.2 | 0 | 0 | 120.5 | T439 | T439-Q441 PolarHBondContact O-N 2.89Å; T439-Q441 VanDerWaalsContact O-N 3.12Å | ||
| 442 | I | 50.2 | Low | 65.5 | Low | 118 Ų | 118 | 64.5 Ų | 64.5 | 61% | 0.605 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -118.9 | 152.5 | -173.2 | -62.5 | -178.5 | 0 | 0 | 0 | 112.8 | E488 | I442-E488 WeakPolarHBondContact CB-OE2 3.26Å; I442-E488 WeakPolarHBondContact CG2-OE1 3.06Å |
| 443 | S | 53.1 | Low | 64.7 | Low | 57 Ų | 57 | 70.7 Ų | 70.7 | 40% | 0.399 | 36% | 0.364 | S | S | . | . | trans | -59.1 | 138.4 | -176.5 | 56.8 | 0 | 0 | 0 | 0 | 113 | K445 | S443-K445 PolarHBondContact O-N 2.86Å; S443-K445 WeakPolarHBondContact OG-CD 3.24Å; S443-K445 WeakPolarHBondContact OG-CE 3.48Å; S443-K445 PolarHBondContact OG-NZ 3.44Å | ||
| 444 | N | 54.4 | Low | 64 | Low | 61 Ų | 61 | 71.8 Ų | 71.8 | 33% | 0.326 | 37% | 0.371 | S | S | . | . | trans | -73.2 | 64.4 | -175.1 | -137.4 | -0.8 | 0 | 0 | 0 | 113.4 | H489 I549 | N444-H489 PolarHBondContact ND2-CE1 3.36Å; N444-H489 PolarHBondContact ND2-NE2 3.33Å; N444-H489 VanDerWaalsContact ND2-NE2 3.12Å; N444-H489 PolarHBondContact OD1-CE1 2.82Å; N444-H489 VanDerWaalsContact OD1-CE1 3.3Å; N444-I549 HydrophobicContact CB-CD1 3.86Å | ||
| 445 | K | 59 | Low | 63.4 | Low | 114 Ų | 114 | 73.2 Ų | 73.2 | 50% | 0.496 | 38% | 0.379 | S | S | . | . | trans | -77.7 | 129 | -175.8 | -76.6 | 169.5 | 178 | 161.8 | 0 | 111.2 | S443 H447 | S443-K445 PolarHBondContact O-N 2.86Å; S443-K445 WeakPolarHBondContact OG-CD 3.24Å; S443-K445 WeakPolarHBondContact OG-CE 3.48Å; S443-K445 PolarHBondContact OG-NZ 3.44Å; K445-H447 PolarHBondContact O-CD2 3.18Å; K445-H447 PolarHBondContact O-N 3.06Å | ||
| 446 | L | 68.1 | Low | 62.8 | Low | 13 Ų | 13 | 75.8 Ų | 75.8 | 7% | 0.068 | 39% | 0.394 | C | S | . | . | trans | -81.7 | 96.7 | 171.2 | -172.6 | 68.3 | 0 | 0 | 0 | 109.4 | I448 F485 T487 I544 Y546 I549 R551 | L446-I448 HydrophobicContact CD2-CD1 4.25Å; L446-I448 HydrophobicContact CG-CD1 4.46Å; L446-I448 HydrophobicContact CG-CG1 4.27Å; L446-F485 HydrophobicContact CD1-CB 4.29Å; L446-F485 HydrophobicContact CD1-CD2 3.83Å; L446-F485 HydrophobicContact CD1-CG 4.48Å; L446-T487 HydrophobicContact CD1-CG2 4.22Å; L446-I544 HydrophobicContact CD2-CG1 4.38Å; L446-Y546 HydrophobicContact CD1-CD2 3.82Å; L446-Y546 HydrophobicContact CD1-CE2 4.08Å; L446-I549 HydrophobicContact CB-CG2 3.87Å; L446-R551 HydrophobicContact CD2-CB 4.15Å; L446-R551 HydrophobicContact CD2-CG 3.93Å | ||
| 447 | H | 71.4 | Confident | 62.1 | Low | 72 Ų | 72 | 75 Ų | 75 | 33% | 0.333 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 139.7 | 173.3 | -68.8 | -95.6 | 0 | 0 | 0 | 110 | K445 F485 W486 | K445-H447 PolarHBondContact O-CD2 3.18Å; K445-H447 PolarHBondContact O-N 3.06Å; H447-F485 WeakPolarHBondContact O-CA 3.02Å; H447-F485 VanDerWaalsContact O-CB 3.3Å; H447-F485 WeakPolarHBondContact O-CB 3.12Å; H447-W486 HydrophobicContact CB-CD2 3.51Å; H447-W486 HydrophobicContact CB-CE3 3.88Å; H447-W486 HydrophobicContact CB-CG 4.08Å; H447-W486 HydrophobicContact CB-CH2 3.86Å; H447-W486 HydrophobicContact CB-CZ2 3.47Å; H447-W486 VanDerWaalsContact CB-CZ2 3.47Å; H447-W486 HydrophobicContact CB-CZ3 4.04Å; H447-W486 AromaticContact CD2-NE1 3.62Å; H447-W486 AromaticContact CG-CE2 3.62Å; H447-W486 AromaticContact CG-CZ2 3.79Å; H447-W486 AromaticContact CG-NE1 3.57Å; H447-W486 PolarHBondContact N-O 3.16Å; H447-W486 AromaticContact ND1-CZ2 4Å; H447-W486 PolarHBondContact O-N 3.12Å |
| 448 | I | 69.8 | Low | 61.5 | Low | 56 Ų | 56 | 75.1 Ų | 75.1 | 29% | 0.287 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 134.9 | -177.6 | -63.3 | 174.7 | 0 | 0 | 0 | 109.8 | L446 Y450 I483 S484 F485 I544 R551 F553 | L446-I448 HydrophobicContact CD2-CD1 4.25Å; L446-I448 HydrophobicContact CG-CD1 4.46Å; L446-I448 HydrophobicContact CG-CG1 4.27Å; I448-Y450 HydrophobicContact CG2-CD1 4.19Å; I448-I483 HydrophobicContact CG2-CG2 3.75Å; I448-S484 CarbonylContact C-O 3.48Å; I448-S484 WeakPolarHBondContact CA-O 3.25Å; I448-F485 HydrophobicContact CG1-CB 4.3Å; I448-I544 HydrophobicContact CD1-CD1 3.91Å; I448-I544 HydrophobicContact CD1-CG1 4.4Å; I448-I544 HydrophobicContact CG1-CD1 4.12Å; I448-R551 HydrophobicContact CD1-CB 3.68Å; I448-R551 HydrophobicContact CD1-CG 3.67Å; I448-F553 HydrophobicContact CD1-CZ 4.44Å; I448-F553 HydrophobicContact CG2-CZ 4.22Å |
| 449 | S | 70.8 | Confident | 60.9 | Low | 47 Ų | 47 | 80.1 Ų | 80.1 | 33% | 0.329 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.3 | 166.1 | 53.2 | 0 | 0 | 0 | 0 | 108.6 | I483 S484 | S449-I483 CarbonylContact O-C 3.54Å; S449-I483 WeakPolarHBondContact O-CA 3.42Å; S449-S484 PolarHBondContact N-O 3.31Å; S449-S484 PolarHBondContact O-N 3.25Å; S449-S484 VanDerWaalsContact OG-CB 3.23Å; S449-S484 WeakPolarHBondContact OG-CB 3.41Å; S449-S484 PolarHBondContact OG-O 2.02Å; S449-S484 PolarHBondContact OG-OG 3.15Å |
| 450 | Y | 69.3 | Low | 60.2 | Low | 97 Ų | 97 | 81.3 Ų | 81.3 | 38% | 0.38 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 152 | -178.4 | 60.9 | -93.9 | 0 | 0 | 0 | 112.7 | I448 V456 L470 N482 F553 | I448-Y450 HydrophobicContact CG2-CD1 4.19Å; Y450-V456 HydrophobicContact CE2-CG2 3.76Å; Y450-V456 WeakPolarHBondContact OH-CG2 3.48Å; Y450-L470 HydrophobicContact CE1-CD2 3.86Å; Y450-N482 CarbonylContact C-O 3.55Å; Y450-N482 VanDerWaalsContact CA-O 3.27Å; Y450-N482 WeakPolarHBondContact CA-O 3.49Å; Y450-F553 HydrophobicContact CD1-CE1 4.49Å |
| 451 | H | 66.3 | Low | 59.8 | Low | 143 Ų | 143 | 86.5 Ų | 86.5 | 66% | 0.662 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 125.7 | 175.8 | -168.2 | 24.1 | 0 | 0 | 0 | 109.5 | N482 | H451-N482 PolarHBondContact N-O 3.33Å; H451-N482 PolarHBondContact O-N 2.68Å |
| 452 | C | 64.3 | Low | 59.2 | Low | 23 Ų | 23 | 83 Ų | 83 | 16% | 0.155 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 160.6 | -178.3 | 65.7 | 0 | 0 | 0 | 0 | 110.1 | C454 L481 | C452-C454 HydrophobicContact CB-CB 3.84Å; C452-C454 WeakPolarHBondContact CB-SG 3.36Å; C452-C454 PolarHBondContact O-N 2.63Å; C452-C454 VanDerWaalsContact SG-CA 3.53Å; C452-C454 WeakPolarHBondContact SG-CB 3.48Å; C452-C454 PolarHBondContact SG-N 3.14Å; C452-C454 PolarHBondContact SG-O 2.91Å; C452-C454 CovalentContact SG-SG 2.04Å; C452-C454 PolarHBondContact SG-SG 3.47Å; C452-L481 HydrophobicContact CB-CD1 3.65Å; C452-L481 HydrophobicContact CB-CG 4.26Å |
| 453 | N | 63.4 | Low | 58.6 | Low | 149 Ų | 149 | 82.4 Ų | 82.4 | 80% | 0.797 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -88.3 | 57.8 | 160.6 | -70.3 | 11.1 | 0 | 0 | 0 | 109.1 | ||
| 454 | C | 63.5 | Low | 58.1 | Low | 24 Ų | 24 | 83.8 Ų | 83.8 | 16% | 0.162 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.1 | -176.1 | 76 | 0 | 0 | 0 | 0 | 111.3 | C452 L473 I474 | C452-C454 HydrophobicContact CB-CB 3.84Å; C452-C454 WeakPolarHBondContact CB-SG 3.36Å; C452-C454 PolarHBondContact O-N 2.63Å; C452-C454 VanDerWaalsContact SG-CA 3.53Å; C452-C454 WeakPolarHBondContact SG-CB 3.48Å; C452-C454 PolarHBondContact SG-N 3.14Å; C452-C454 PolarHBondContact SG-O 2.91Å; C452-C454 CovalentContact SG-SG 2.04Å; C452-C454 PolarHBondContact SG-SG 3.47Å; C454-L473 WeakPolarHBondContact CA-O 3.19Å; C454-I474 HydrophobicContact CB-CD1 4.45Å; C454-I474 HydrophobicContact CB-CG1 3.85Å |
| 455 | M | 65.6 | Low | 58.1 | Low | 61 Ų | 61 | 85.2 Ų | 85.2 | 30% | 0.3 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 121.9 | -178.3 | -178.5 | 172.6 | -171.7 | 0 | 0 | 108.9 | L457 L473 I682 I684 | M455-L457 HydrophobicContact CE-CD2 4.47Å; M455-L457 HydrophobicContact CG-CD2 4.37Å; M455-L473 HydrophobicContact CB-CB 4.29Å; M455-L473 PolarHBondContact N-O 3.28Å; M455-L473 PolarHBondContact O-N 3.1Å; M455-L473 HydrophobicContact SD-CD2 4.42Å; M455-I682 WeakPolarHBondContact CE-O 3.48Å; M455-I684 HydrophobicContact CE-CD1 4.44Å; M455-I684 HydrophobicContact CE-CG1 3.46Å; M455-I684 VanDerWaalsContact CE-CG1 3.46Å; M455-I684 HydrophobicContact SD-CD1 4.39Å; M455-I684 HydrophobicContact SD-CG1 3.77Å |
| 456 | V | 65.1 | Low | 57.8 | Low | 55 Ų | 55 | 84.3 Ų | 84.3 | 33% | 0.333 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 132.1 | -178.4 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | Y450 L470 L472 | Y450-V456 HydrophobicContact CE2-CG2 3.76Å; Y450-V456 WeakPolarHBondContact OH-CG2 3.48Å; V456-L470 HydrophobicContact CG1-CD1 3.75Å; V456-L470 HydrophobicContact CG1-CD2 4.11Å; V456-L470 HydrophobicContact CG1-CG 4.03Å; V456-L472 HydrophobicContact CB-CD2 4.25Å; V456-L472 HydrophobicContact CG1-CD2 4.21Å; V456-L472 HydrophobicContact CG2-CD2 3.84Å |
| 457 | L | 57.5 | Low | 57.2 | Low | 12 Ų | 12 | 89.9 Ų | 89.9 | 6% | 0.063 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 109.4 | 179.8 | -61.6 | 175.5 | 0 | 0 | 0 | 108.4 | M455 S471 L473 F596 I682 | M455-L457 HydrophobicContact CE-CD2 4.47Å; M455-L457 HydrophobicContact CG-CD2 4.37Å; L457-S471 PolarHBondContact N-O 3.21Å; L457-S471 WeakPolarHBondContact O-CB 3.46Å; L457-S471 PolarHBondContact O-N 3.12Å; L457-L473 HydrophobicContact CD1-CB 3.88Å; L457-L473 HydrophobicContact CD1-CD2 4.41Å; L457-F596 HydrophobicContact CB-CD1 4.37Å; L457-F596 HydrophobicContact CB-CE1 4.37Å; L457-F596 HydrophobicContact CD1-CD1 3.85Å; L457-F596 HydrophobicContact CD1-CD2 3.88Å; L457-F596 HydrophobicContact CD1-CE1 3.55Å; L457-F596 HydrophobicContact CD1-CE2 3.58Å; L457-F596 HydrophobicContact CD1-CG 4.02Å; L457-F596 HydrophobicContact CD1-CZ 3.41Å; L457-F596 VanDerWaalsContact CD1-CZ 3.41Å; L457-I682 HydrophobicContact CD2-CB 3.88Å; L457-I682 HydrophobicContact CD2-CD1 3.7Å; L457-I682 HydrophobicContact CD2-CG1 4.36Å; L457-I682 HydrophobicContact CD2-CG2 3.92Å |
| 458 | G | 56.7 | Low | 56.5 | Low | 51 Ų | 51 | 87.7 Ų | 87.7 | 53% | 0.526 | 49% | 0.489 | S | S | . | . | S | Bend | trans | 149.7 | 157.3 | -171 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 459 | D | 50.5 | Low | 56.3 | Low | 137 Ų | 137 | 88.7 Ų | 88.7 | 73% | 0.733 | 50% | 0.498 | S | S | * | . | trans | -64.7 | 164.7 | -163.2 | -81.6 | -64 | 0 | 0 | 0 | 117.1 | K461 F464 | D459-K461 PolarHBondContact O-N 3.15Å; D459-F464 VanDerWaalsContact O-CZ 3.25Å; D459-F464 WeakPolarHBondContact O-CZ 3.39Å | ||
| 460 | N | 43.9 | Very low | 56.2 | Low | 141 Ų | 141 | 87.4 Ų | 87.4 | 75% | 0.754 | 49% | 0.487 | S | S | * | . | trans | -61.5 | 130.2 | -170.9 | -78.4 | -66.1 | 0 | 0 | 0 | 114.2 | S462 | N460-S462 PolarHBondContact O-N 3.15Å; N460-S462 VanDerWaalsContact O-N 3.08Å | ||
| 461 | K | 41.3 | Very low | 56.2 | Low | 198 Ų | 198 | 83.8 Ų | 83.8 | 86% | 0.861 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -6.7 | 94.1 | 154.3 | -57.9 | 169.7 | -176.4 | 170.5 | 0 | 115.8 | D459 | D459-K461 PolarHBondContact O-N 3.15Š|
| 462 | S | 38.6 | Very low | 56.4 | Low | 113 Ų | 113 | 77 Ų | 77 | 79% | 0.79 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -178.2 | -49.1 | 144.1 | 42.9 | 0 | 0 | 0 | 0 | 113.4 | N460 | N460-S462 PolarHBondContact O-N 3.15Å; N460-S462 VanDerWaalsContact O-N 3.08Å |
| 463 | S | 38.3 | Very low | 56.7 | Low | 107 Ų | 107 | 76.3 Ų | 76.3 | 75% | 0.748 | 44% | 0.44 | S | S | * | . | trans | -132.2 | 87.7 | -168 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 464 | F | 43.8 | Very low | 56.9 | Low | 85 Ų | 85 | 69.4 Ų | 69.4 | 37% | 0.373 | 40% | 0.403 | S | S | . | . | trans | -102 | 121 | 172.4 | -77 | -81.2 | 0 | 0 | 0 | 111.7 | D459 R551 | D459-F464 VanDerWaalsContact O-CZ 3.25Å; D459-F464 WeakPolarHBondContact O-CZ 3.39Å; F464-R551 PolarHBondContact O-NH2 3.39Å | ||
| 465 | S | 53 | Low | 56.7 | Low | 91 Ų | 91 | 73.9 Ų | 73.9 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | trans | -62.5 | 157 | 171.8 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | N467 S468 R551 | S465-N467 PolarHBondContact O-N 2.81Å; S465-S468 WeakPolarHBondContact O-CB 3.32Å; S465-S468 PolarHBondContact O-N 3.12Å; S465-S468 VanDerWaalsContact O-N 3.1Å; S465-S468 PolarHBondContact O-OG 3.41Å; S465-R551 PolarHBondContact O-NH1 3.17Å; S465-R551 PolarHBondContact O-NH2 3Å | ||
| 466 | D | 53.2 | Low | 56.4 | Low | 96 Ų | 96 | 75.7 Ų | 75.7 | 51% | 0.513 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -7.7 | -162.4 | -68 | -52.2 | 0 | 0 | 0 | 116.8 | R551 | D466-R551 IonicContact OD1-CZ 3.79Å; D466-R551 IonicContact OD1-NE 3.89Å; D466-R551 IonicContact OD1-NH2 2.87Å; D466-R551 PolarHBondContact OD1-NH2 2.03Å |
| 467 | N | 54.9 | Low | 56 | Low | 130 Ų | 130 | 77 Ų | 77 | 70% | 0.695 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | 10.8 | 173.9 | -77.7 | -58.7 | 0 | 0 | 0 | 114.3 | S465 T469 | S465-N467 PolarHBondContact O-N 2.81Å; N467-T469 PolarHBondContact O-N 2.95Å |
| 468 | S | 57.7 | Low | 56 | Low | 25 Ų | 25 | 80.1 Ų | 80.1 | 18% | 0.175 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 124.7 | -176.6 | 71.9 | 0 | 0 | 0 | 0 | 113.3 | S465 R551 | S465-S468 WeakPolarHBondContact O-CB 3.32Å; S465-S468 PolarHBondContact O-N 3.12Å; S465-S468 VanDerWaalsContact O-N 3.1Å; S465-S468 PolarHBondContact O-OG 3.41Å; S468-R551 PolarHBondContact OG-NH1 3.19Å |
| 469 | T | 64.6 | Low | 56.2 | Low | 77 Ų | 77 | 78 Ų | 78 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 121.9 | 170.6 | 48.5 | 0 | 0 | 0 | 0 | 111.6 | N467 T552 | N467-T469 PolarHBondContact O-N 2.95Å; T469-T552 WeakPolarHBondContact CA-O 3.2Å; T469-T552 WeakPolarHBondContact CG2-OG1 3.44Å |
| 470 | L | 69 | Low | 57 | Low | 20 Ų | 20 | 76.1 Ų | 76.1 | 11% | 0.105 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 122.8 | 173.8 | -165.6 | 74.4 | 0 | 0 | 0 | 111.1 | Y450 V456 L472 T552 F553 Q554 | Y450-L470 HydrophobicContact CE1-CD2 3.86Å; V456-L470 HydrophobicContact CG1-CD1 3.75Å; V456-L470 HydrophobicContact CG1-CD2 4.11Å; V456-L470 HydrophobicContact CG1-CG 4.03Å; L470-L472 HydrophobicContact CD2-CD2 3.89Å; L470-L472 HydrophobicContact CD2-CG 4.49Å; L470-L472 HydrophobicContact CG-CD2 4.24Å; L470-T552 PolarHBondContact N-O 2.78Å; L470-T552 VanDerWaalsContact N-O 3.07Å; L470-F553 HydrophobicContact CB-CD1 3.85Å; L470-F553 HydrophobicContact CB-CE1 4.37Å; L470-F553 HydrophobicContact CD2-CD1 3.77Å; L470-F553 HydrophobicContact CD2-CE1 3.79Å; L470-F553 HydrophobicContact CG-CD1 4.38Å; L470-F553 CarbonylContact O-C 3.57Å; L470-F553 VanDerWaalsContact O-CA 3.28Å; L470-F553 WeakPolarHBondContact O-CA 3.27Å; L470-Q554 PolarHBondContact O-N 2.98Å |
| 471 | S | 69.3 | Low | 58.2 | Low | 21 Ų | 21 | 69.5 Ų | 69.5 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 133 | 176.3 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | L457 Q554 | L457-S471 PolarHBondContact N-O 3.21Å; L457-S471 WeakPolarHBondContact O-CB 3.46Å; L457-S471 PolarHBondContact O-N 3.12Å; S471-Q554 CarbonylContact C-O 3.49Å; S471-Q554 WeakPolarHBondContact CA-O 3.22Å |
| 472 | L | 71.2 | Confident | 59.7 | Low | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 115.9 | -175.5 | -62.2 | -179.5 | 0 | 0 | 0 | 110.9 | V456 L470 L481 F553 Q554 I555 F556 | V456-L472 HydrophobicContact CB-CD2 4.25Å; V456-L472 HydrophobicContact CG1-CD2 4.21Å; V456-L472 HydrophobicContact CG2-CD2 3.84Å; L470-L472 HydrophobicContact CD2-CD2 3.89Å; L470-L472 HydrophobicContact CD2-CG 4.49Å; L470-L472 HydrophobicContact CG-CD2 4.24Å; L472-L481 HydrophobicContact CD1-CD1 3.93Å; L472-F553 HydrophobicContact CD1-CB 4.38Å; L472-F553 HydrophobicContact CD1-CD1 3.96Å; L472-Q554 PolarHBondContact N-O 3.3Å; L472-I555 HydrophobicContact CB-CG1 4Å; L472-I555 HydrophobicContact CD1-CG1 3.94Å; L472-I555 HydrophobicContact CG-CG1 4.46Å; L472-I555 WeakPolarHBondContact O-CA 3.32Å; L472-F556 PolarHBondContact O-N 3.17Å |
| 473 | L | 69.1 | Low | 61.5 | Low | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 128.4 | 178.1 | -173.7 | 75.9 | 0 | 0 | 0 | 110.7 | C454 M455 L457 F556 V558 I561 F596 I684 | C454-L473 WeakPolarHBondContact CA-O 3.19Å; M455-L473 HydrophobicContact CB-CB 4.29Å; M455-L473 PolarHBondContact N-O 3.28Å; M455-L473 PolarHBondContact O-N 3.1Å; M455-L473 HydrophobicContact SD-CD2 4.42Å; L457-L473 HydrophobicContact CD1-CB 3.88Å; L457-L473 HydrophobicContact CD1-CD2 4.41Å; L473-F556 CarbonylContact C-O 3.49Å; L473-F556 WeakPolarHBondContact CA-O 3.02Å; L473-F556 HydrophobicContact CD1-CB 4.14Å; L473-V558 HydrophobicContact CD1-CG2 3.79Å; L473-I561 HydrophobicContact CD2-CD1 4.1Å; L473-F596 HydrophobicContact CD1-CE2 4.46Å; L473-I684 HydrophobicContact CD2-CD1 3.84Å |
| 474 | I | 67.5 | Low | 63.2 | Low | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.4 | -176.9 | -46.4 | -171.3 | 0 | 0 | 0 | 111.3 | C454 V479 I555 F556 I557 V558 | C454-I474 HydrophobicContact CB-CD1 4.45Å; C454-I474 HydrophobicContact CB-CG1 3.85Å; I474-V479 HydrophobicContact CD1-CB 4.34Å; I474-V479 HydrophobicContact CD1-CG1 3.72Å; I474-V479 HydrophobicContact CD1-CG2 3.66Å; I474-V479 HydrophobicContact CG2-CG2 4.15Å; I474-I555 HydrophobicContact CD1-CG2 3.47Å; I474-I555 VanDerWaalsContact CD1-CG2 3.47Å; I474-I555 HydrophobicContact CG1-CG2 4.08Å; I474-F556 PolarHBondContact N-O 2.77Å; I474-I557 HydrophobicContact CB-CG1 4.34Å; I474-I557 HydrophobicContact CD1-CG1 4.27Å; I474-V558 PolarHBondContact O-N 2.9Å |
| 475 | K | 60.5 | Low | 64.8 | Low | 118 Ų | 118 | 49.5 Ų | 49.5 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | trans | -92.6 | -10.7 | -168.2 | -169.2 | 169.6 | -178.7 | 174.8 | 0 | 115.9 | I561 | K475-I561 HydrophobicContact CG-CD1 4.24Š| ||
| 476 | N | 59.7 | Low | 65.7 | Low | 98 Ų | 98 | 48.4 Ų | 48.4 | 52% | 0.524 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -132.8 | 156.6 | -170.1 | -79.2 | -6.8 | 0 | 0 | 0 | 113.1 | S478 | N476-S478 PolarHBondContact O-N 2.89Š|
| 477 | N | 56.6 | Low | 66.4 | Low | 82 Ų | 82 | 43.9 Ų | 43.9 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -63.7 | -1.8 | 174.9 | -64.4 | -29.1 | 0 | 0 | 0 | 115.3 | M533 | N477-M533 PolarHBondContact O-N 2.89Š|
| 478 | S | 56.7 | Low | 66.9 | Low | 78 Ų | 78 | 40.7 Ų | 40.7 | 55% | 0.545 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 134.3 | 176.5 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | N476 I531 | N476-S478 PolarHBondContact O-N 2.89Å; S478-I531 CarbonylContact C-O 3.58Å; S478-I531 WeakPolarHBondContact CA-O 3.01Å |
| 479 | V | 61.4 | Low | 67.2 | Low | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127 | 179.5 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | I474 L481 K530 I531 I557 | I474-V479 HydrophobicContact CD1-CB 4.34Å; I474-V479 HydrophobicContact CD1-CG1 3.72Å; I474-V479 HydrophobicContact CD1-CG2 3.66Å; I474-V479 HydrophobicContact CG2-CG2 4.15Å; V479-L481 HydrophobicContact CG1-CB 3.96Å; V479-K530 WeakPolarHBondContact O-CA 3.41Å; V479-I531 HydrophobicContact CB-CB 3.88Å; V479-I531 HydrophobicContact CB-CD1 4.37Å; V479-I531 HydrophobicContact CB-CG1 3.96Å; V479-I531 HydrophobicContact CG1-CD1 4.49Å; V479-I531 HydrophobicContact CG1-CG1 4.39Å; V479-I531 HydrophobicContact CG2-CB 3.96Å; V479-I531 HydrophobicContact CG2-CD1 4.36Å; V479-I531 HydrophobicContact CG2-CG1 4.29Å; V479-I531 PolarHBondContact N-O 2.98Å; V479-I531 PolarHBondContact O-N 3.48Å; V479-I557 HydrophobicContact CG2-CD1 4.17Å |
| 480 | N | 66.7 | Low | 67.2 | Low | 98 Ų | 98 | 39.6 Ų | 39.6 | 52% | 0.524 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 123.6 | 151.9 | -63.1 | -36.8 | 0 | 0 | 0 | 106.2 | K530 | N480-K530 VanDerWaalsContact OD1-CE 3.29Å; N480-K530 WeakPolarHBondContact OD1-CE 3.14Å |
| 481 | L | 70.1 | Confident | 66.5 | Low | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 115 | 179.6 | -169.4 | 115.7 | 0 | 0 | 0 | 108.3 | C452 L472 V479 I483 I529 L542 I555 | C452-L481 HydrophobicContact CB-CD1 3.65Å; C452-L481 HydrophobicContact CB-CG 4.26Å; L472-L481 HydrophobicContact CD1-CD1 3.93Å; V479-L481 HydrophobicContact CG1-CB 3.96Å; L481-I483 HydrophobicContact CD2-CD1 3.7Å; L481-I483 HydrophobicContact CD2-CG1 3.93Å; L481-I529 HydrophobicContact CB-CB 4.36Å; L481-I529 HydrophobicContact CD2-CD1 4.09Å; L481-I529 PolarHBondContact N-O 3.46Å; L481-I529 PolarHBondContact O-N 3.26Å; L481-L542 HydrophobicContact CD2-CD2 3.76Å; L481-I555 HydrophobicContact CD2-CD1 4.41Å |
| 482 | N | 73 | Confident | 66 | Low | 60 Ų | 60 | 45 Ų | 45 | 32% | 0.321 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.9 | -178.1 | -60.2 | -11.8 | 0 | 0 | 0 | 108.4 | Y450 H451 F528 | Y450-N482 CarbonylContact C-O 3.55Å; Y450-N482 VanDerWaalsContact CA-O 3.27Å; Y450-N482 WeakPolarHBondContact CA-O 3.49Å; H451-N482 PolarHBondContact N-O 3.33Å; H451-N482 PolarHBondContact O-N 2.68Å; N482-F528 HydrophobicContact CB-CD1 4.4Å; N482-F528 HydrophobicContact CB-CE1 4.44Å; N482-F528 VanDerWaalsContact OD1-CD1 3.23Å; N482-F528 WeakPolarHBondContact OD1-CD1 3.32Å |
| 483 | I | 75.3 | Confident | 65.5 | Low | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 119.7 | 175.9 | -52.8 | 166.3 | 0 | 0 | 0 | 109.5 | I448 S449 L481 K526 C527 L542 I544 F553 | I448-I483 HydrophobicContact CG2-CG2 3.75Å; S449-I483 CarbonylContact O-C 3.54Å; S449-I483 WeakPolarHBondContact O-CA 3.42Å; L481-I483 HydrophobicContact CD2-CD1 3.7Å; L481-I483 HydrophobicContact CD2-CG1 3.93Å; I483-K526 CarbonylContact O-C 3.1Å; I483-K526 VanDerWaalsContact O-CA 3.3Å; I483-K526 WeakPolarHBondContact O-CA 3.04Å; I483-C527 PolarHBondContact N-O 2.75Å; I483-C527 PolarHBondContact O-N 2.88Å; I483-L542 HydrophobicContact CD1-CD2 3.55Å; I483-I544 HydrophobicContact CD1-CD1 4.5Å; I483-I544 HydrophobicContact CG2-CD1 3.62Å; I483-F553 HydrophobicContact CD1-CD2 4.4Å; I483-F553 HydrophobicContact CD1-CE1 4.28Å; I483-F553 HydrophobicContact CD1-CE2 3.92Å; I483-F553 HydrophobicContact CD1-CZ 3.85Å |
| 484 | S | 74.6 | Confident | 65.3 | Low | 23 Ų | 23 | 53.5 Ų | 53.5 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 128.8 | 168 | -4.9 | 0 | 0 | 0 | 0 | 110.3 | I448 S449 W525 | I448-S484 CarbonylContact C-O 3.48Å; I448-S484 WeakPolarHBondContact CA-O 3.25Å; S449-S484 PolarHBondContact N-O 3.31Å; S449-S484 PolarHBondContact O-N 3.25Å; S449-S484 VanDerWaalsContact OG-CB 3.23Å; S449-S484 WeakPolarHBondContact OG-CB 3.41Å; S449-S484 PolarHBondContact OG-O 2.02Å; S449-S484 PolarHBondContact OG-OG 3.15Å; S484-W525 CarbonylContact C-O 3.29Å; S484-W525 VanDerWaalsContact CA-O 3.29Å; S484-W525 WeakPolarHBondContact CA-O 3.01Å |
| 485 | F | 76.7 | Confident | 65.5 | Low | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 156.8 | 176.1 | 66.5 | -88.3 | 0 | 0 | 0 | 112.6 | L446 H447 I448 P495 F496 P518 W525 C527 I544 Y546 | L446-F485 HydrophobicContact CD1-CB 4.29Å; L446-F485 HydrophobicContact CD1-CD2 3.83Å; L446-F485 HydrophobicContact CD1-CG 4.48Å; H447-F485 WeakPolarHBondContact O-CA 3.02Å; H447-F485 VanDerWaalsContact O-CB 3.3Å; H447-F485 WeakPolarHBondContact O-CB 3.12Å; I448-F485 HydrophobicContact CG1-CB 4.3Å; F485-P495 HydrophobicContact CE2-CB 3.81Å; F485-P495 HydrophobicContact CZ-CB 4.13Å; F485-F496 WeakPolarHBondContact CZ-O 2.98Å; F485-P518 HydrophobicContact CE1-CB 4.28Å; F485-P518 HydrophobicContact CZ-CB 3.99Å; F485-W525 HydrophobicContact CD1-CB 4.47Å; F485-W525 WeakPolarHBondContact CD1-O 3.37Å; F485-W525 HydrophobicContact CD2-CB 4.42Å; F485-W525 HydrophobicContact CE1-CB 4.22Å; F485-W525 HydrophobicContact CE2-CB 4.19Å; F485-W525 HydrophobicContact CZ-CB 4.09Å; F485-W525 PolarHBondContact N-O 2.89Å; F485-W525 PolarHBondContact O-N 2.92Å; F485-C527 HydrophobicContact CE1-CB 4.22Å; F485-I544 HydrophobicContact CB-CD1 4.2Å; F485-I544 HydrophobicContact CD1-CB 4.41Å; F485-I544 HydrophobicContact CD1-CD1 4.01Å; F485-I544 HydrophobicContact CE1-CB 4.31Å; F485-I544 HydrophobicContact CG-CD1 4.23Å; F485-Y546 HydrophobicContact CD2-CD2 4.19Å; F485-Y546 AromaticContact CD2-CE2 3.75Å; F485-Y546 HydrophobicContact CD2-CE2 3.75Å; F485-Y546 HydrophobicContact CE2-CD2 4.05Å; F485-Y546 AromaticContact CE2-CE2 3.79Å; F485-Y546 HydrophobicContact CE2-CE2 3.79Å |
| 486 | W | 71.4 | Confident | 66.1 | Low | 67 Ų | 67 | 50.2 Ų | 50.2 | 25% | 0.254 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 163.9 | 177.5 | 67.2 | 96.7 | 0 | 0 | 0 | 112.7 | H447 T524 | H447-W486 HydrophobicContact CB-CD2 3.51Å; H447-W486 HydrophobicContact CB-CE3 3.88Å; H447-W486 HydrophobicContact CB-CG 4.08Å; H447-W486 HydrophobicContact CB-CH2 3.86Å; H447-W486 HydrophobicContact CB-CZ2 3.47Å; H447-W486 VanDerWaalsContact CB-CZ2 3.47Å; H447-W486 HydrophobicContact CB-CZ3 4.04Å; H447-W486 AromaticContact CD2-NE1 3.62Å; H447-W486 AromaticContact CG-CE2 3.62Å; H447-W486 AromaticContact CG-CZ2 3.79Å; H447-W486 AromaticContact CG-NE1 3.57Å; H447-W486 PolarHBondContact N-O 3.16Å; H447-W486 AromaticContact ND1-CZ2 4Å; H447-W486 PolarHBondContact O-N 3.12Å; W486-T524 HydrophobicContact CB-CG2 4.03Å; W486-T524 HydrophobicContact CD2-CG2 3.56Å; W486-T524 HydrophobicContact CE3-CG2 3.35Å; W486-T524 HydrophobicContact CG-CG2 3.89Å; W486-T524 HydrophobicContact CZ3-CG2 4.01Å |
| 487 | T | 69.2 | Low | 67.1 | Low | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | trans | -122.7 | 168.4 | 171.7 | 50 | 0 | 0 | 0 | 0 | 110.8 | L446 H489 Y546 | L446-T487 HydrophobicContact CD1-CG2 4.22Å; T487-H489 WeakPolarHBondContact CB-O 3.02Å; T487-H489 PolarHBondContact OG1-O 3.04Å; T487-Y546 HydrophobicContact CG2-CD2 3.55Å; T487-Y546 HydrophobicContact CG2-CE2 3.61Å; T487-Y546 HydrophobicContact CG2-CG 4.05Å; T487-Y546 VanDerWaalsContact OG1-CZ 3.25Å; T487-Y546 PolarHBondContact OG1-OH 2.9Å | ||
| 488 | E | 65 | Low | 68 | Low | 62 Ų | 62 | 46.4 Ų | 46.4 | 29% | 0.29 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -76.1 | -27.1 | 177.9 | -61.7 | -175.6 | 170.7 | 0 | 0 | 112.9 | R310 I442 | R310-E488 WeakPolarHBondContact CD-O 3.01Å; I442-E488 WeakPolarHBondContact CB-OE2 3.26Å; I442-E488 WeakPolarHBondContact CG2-OE1 3.06Å |
| 489 | H | 64.5 | Low | 68.9 | Low | 45 Ų | 45 | 44.3 Ų | 44.3 | 21% | 0.208 | 23% | 0.227 | C | C | . | . | trans | -137.6 | 155.4 | 170.2 | 62.2 | -94.2 | 0 | 0 | 0 | 111.4 | N444 T487 | N444-H489 PolarHBondContact ND2-CE1 3.36Å; N444-H489 PolarHBondContact ND2-NE2 3.33Å; N444-H489 VanDerWaalsContact ND2-NE2 3.12Å; N444-H489 PolarHBondContact OD1-CE1 2.82Å; N444-H489 VanDerWaalsContact OD1-CE1 3.3Å; T487-H489 WeakPolarHBondContact CB-O 3.02Å; T487-H489 PolarHBondContact OG1-O 3.04Å | ||
| 490 | E | 63.7 | Low | 69.3 | Low | 35 Ų | 35 | 49 Ų | 49 | 16% | 0.164 | 25% | 0.249 | C | C | . | . | trans | -131 | 13.2 | -168.9 | -56.3 | -174.3 | 101.6 | 0 | 0 | 113.4 | D492 R520 W525 Y546 | E490-D492 PolarHBondContact O-N 3.44Å; E490-R520 IonicContact OE1-CZ 3.59Å; E490-R520 IonicContact OE1-NH1 2.67Å; E490-R520 PolarHBondContact OE1-NH1 2.8Å; E490-R520 IonicContact OE1-NH2 2.77Å; E490-R520 IonicContact OE2-CZ 2.62Å; E490-R520 VanDerWaalsContact OE2-CZ 3.26Å; E490-R520 IonicContact OE2-NH1 2.73Å; E490-R520 PolarHBondContact OE2-NH1 2.76Å; E490-R520 IonicContact OE2-NH2 3.67Å; E490-R520 PolarHBondContact OE2-NH2 2.9Å; E490-W525 PolarHBondContact OE1-NE1 2.81Å; E490-Y546 HydrophobicContact CB-CE1 4.44Å; E490-Y546 HydrophobicContact CG-CE1 4.15Å; E490-Y546 PolarHBondContact OE1-OH 2.78Å; E490-Y546 VanDerWaalsContact OE1-OH 3.08Å | ||
| 491 | T | 55.2 | Low | 69.1 | Low | 58 Ų | 58 | 45.7 Ų | 45.7 | 36% | 0.356 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -81.1 | -13.6 | -164 | 48.9 | 0 | 0 | 0 | 0 | 115.6 | K312 | K312-T491 HydrophobicContact CB-CG2 4.35Å; K312-T491 HydrophobicContact CD-CG2 4.43Å; K312-T491 VanDerWaalsContact CD-OG1 3.27Å; K312-T491 WeakPolarHBondContact CD-OG1 3.41Å; K312-T491 WeakPolarHBondContact CE-OG1 3.39Å; K312-T491 HydrophobicContact CG-CG2 4.05Å |
| 492 | D | 57.6 | Low | 68.6 | Low | 96 Ų | 96 | 50.9 Ų | 50.9 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -121.5 | -14.9 | -159.8 | -60 | 10 | 0 | 0 | 0 | 114.5 | K312 E490 | K312-D492 WeakPolarHBondContact CE-OD1 3.45Å; K312-D492 IonicContact NZ-OD1 3.16Å; K312-D492 PolarHBondContact NZ-OD1 3.06Å; K312-D492 IonicContact NZ-OD2 3.78Å; K312-D492 PolarHBondContact NZ-OD2 3.16Å; E490-D492 PolarHBondContact O-N 3.44Å |
| 493 | N | 61.2 | Low | 67.6 | Low | 96 Ų | 96 | 52.1 Ų | 52.1 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -157.4 | 147.1 | -170.2 | -102.6 | -73 | 0 | 0 | 0 | 113.5 | P495 G547 | N493-P495 WeakPolarHBondContact O-CD 3.49Å; N493-G547 VanDerWaalsContact CG-CA 3.48Å; N493-G547 WeakPolarHBondContact OD1-CA 2.99Å |
| 494 | Q | 64.8 | Low | 66.1 | Low | 91 Ų | 91 | 53.8 Ų | 53.8 | 43% | 0.425 | 29% | 0.289 | S | S | . | . | trans | -64.8 | 128.9 | 173.3 | -80.2 | -148.1 | -83.9 | 0 | 0 | 112.4 | T297 Y299 Y546 G547 | T297-Q494 VanDerWaalsContact CB-NE2 3.31Å; T297-Q494 HydrophobicContact CG2-CG 4.27Å; T297-Q494 VanDerWaalsContact CG2-NE2 3.28Å; T297-Q494 VanDerWaalsContact CG2-OE1 3.26Å; T297-Q494 VanDerWaalsContact OG1-CG 3.3Å; T297-Q494 WeakPolarHBondContact OG1-CG 2.99Å; T297-Q494 PolarHBondContact OG1-NE2 2.84Å; T297-Q494 VanDerWaalsContact OG1-NE2 3.12Å; Y299-Q494 VanDerWaalsContact CZ-NE2 3.35Å; Y299-Q494 WeakPolarHBondContact OH-CA 3.44Å; Y299-Q494 VanDerWaalsContact OH-CB 3.29Å; Y299-Q494 WeakPolarHBondContact OH-CB 3.13Å; Y299-Q494 WeakPolarHBondContact OH-CG 3.49Å; Y299-Q494 PolarHBondContact OH-NE2 3.44Å; Q494-Y546 WeakPolarHBondContact O-CA 3.23Å; Q494-G547 PolarHBondContact O-N 2.9Å | ||
| 495 | P | 71.7 | Confident | 64.6 | Low | 9 Ų | 9 | 56 Ų | 56 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 135.2 | 155.3 | 21.7 | -31.3 | 0 | 0 | 0 | 111.6 | Y299 F485 N493 W525 G545 Y546 | Y299-P495 HydrophobicContact CE1-CG 4.21Å; Y299-P495 WeakPolarHBondContact OH-CD 3.43Å; Y299-P495 WeakPolarHBondContact OH-CG 2.98Å; Y299-P495 PolarHBondContact OH-O 3.3Å; Y299-P495 VanDerWaalsContact OH-O 3.07Å; F485-P495 HydrophobicContact CE2-CB 3.81Å; F485-P495 HydrophobicContact CZ-CB 4.13Å; N493-P495 WeakPolarHBondContact O-CD 3.49Å; P495-W525 HydrophobicContact CB-CD2 4.26Å; P495-W525 HydrophobicContact CB-CG 4.41Å; P495-W525 HydrophobicContact CG-CD2 3.86Å; P495-W525 HydrophobicContact CG-CE3 4.15Å; P495-W525 HydrophobicContact CG-CG 4.44Å; P495-W525 HydrophobicContact CG-CH2 3.94Å; P495-W525 HydrophobicContact CG-CZ2 3.65Å; P495-W525 HydrophobicContact CG-CZ3 4.19Å; P495-G545 CarbonylContact C-O 3.31Å; P495-G545 VanDerWaalsContact CA-O 3.24Å; P495-G545 WeakPolarHBondContact CA-O 3.11Å; P495-Y546 HydrophobicContact CB-CD1 3.87Å; P495-Y546 HydrophobicContact CB-CD2 4.23Å; P495-Y546 HydrophobicContact CB-CE1 3.79Å; P495-Y546 HydrophobicContact CB-CE2 4.14Å; P495-Y546 HydrophobicContact CB-CG 4.13Å; P495-Y546 HydrophobicContact CG-CD1 4.15Å; P495-Y546 HydrophobicContact CG-CE1 3.86Å |
| 496 | F | 74 | Confident | 63.1 | Low | 45 Ų | 45 | 65.2 Ų | 65.2 | 20% | 0.197 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 159.5 | -178.8 | 66.6 | -95.2 | 0 | 0 | 0 | 113.2 | F485 I498 I544 G545 G547 K550 | F485-F496 WeakPolarHBondContact CZ-O 2.98Å; F496-I498 HydrophobicContact CD2-CD1 3.97Å; F496-I498 HydrophobicContact CD2-CG1 4.14Å; F496-I498 HydrophobicContact CG-CD1 4.48Å; F496-I544 VanDerWaalsContact CE2-C 3.4Å; F496-I544 WeakPolarHBondContact O-CA 3.26Å; F496-G545 WeakPolarHBondContact CD1-O 3.3Å; F496-G545 VanDerWaalsContact CZ-CA 3.5Å; F496-G545 PolarHBondContact N-O 2.75Å; F496-G545 PolarHBondContact O-N 3.29Å; F496-G547 WeakPolarHBondContact CE1-O 3.12Å; F496-K550 HydrophobicContact CZ-CB 3.8Å |
| 497 | C | 78.7 | Confident | 61.7 | Low | 11 Ų | 11 | 66.3 Ų | 66.3 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 120.7 | 169.2 | -171.5 | 0 | 0 | 0 | 0 | 109.2 | I516 C527 S543 I544 | C497-I516 HydrophobicContact CB-CG2 3.87Å; C497-I516 WeakPolarHBondContact O-CG2 3.21Å; C497-I516 WeakPolarHBondContact SG-CG2 3.1Å; C497-C527 HydrophobicContact CB-CB 3.68Å; C497-C527 WeakPolarHBondContact CB-SG 3.47Å; C497-C527 WeakPolarHBondContact SG-CB 3.33Å; C497-C527 CovalentContact SG-SG 2.02Å; C497-C527 PolarHBondContact SG-SG 3.17Å; C497-S543 CarbonylContact C-O 3.12Å; C497-S543 WeakPolarHBondContact CA-O 3.34Å; C497-I544 HydrophobicContact CB-CG2 4.17Å; C497-I544 VanDerWaalsContact SG-CG2 3.51Å |
| 498 | I | 77 | Confident | 60.6 | Low | 90 Ų | 90 | 71.1 Ų | 71.1 | 46% | 0.462 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 119.2 | -165.9 | -57.6 | 172.6 | 0 | 0 | 0 | 110.1 | F496 M500 L542 S543 | F496-I498 HydrophobicContact CD2-CD1 3.97Å; F496-I498 HydrophobicContact CD2-CG1 4.14Å; F496-I498 HydrophobicContact CG-CD1 4.48Å; I498-M500 HydrophobicContact CG2-CG 4.38Å; I498-L542 CarbonylContact O-C 3.49Å; I498-L542 WeakPolarHBondContact O-CA 3.12Å; I498-S543 PolarHBondContact N-O 2.68Å; I498-S543 PolarHBondContact O-N 2.95Å |
| 499 | L | 76 | Confident | 59.7 | Low | 34 Ų | 34 | 73.5 Ų | 73.5 | 18% | 0.178 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.8 | 174.5 | -175.9 | 73.4 | 0 | 0 | 0 | 111.1 | T514 I516 I529 I531 M540 L542 | L499-T514 HydrophobicContact CD2-CG2 4.18Å; L499-I516 HydrophobicContact CB-CD1 3.3Å; L499-I516 HydrophobicContact CD2-CD1 3.9Å; L499-I516 HydrophobicContact CG-CD1 4.24Å; L499-I529 HydrophobicContact CD2-CG2 4.48Å; L499-I531 HydrophobicContact CD2-CD1 3.9Å; L499-M540 HydrophobicContact CD1-CB 4.22Å; L499-M540 HydrophobicContact CD1-SD 4.04Å; L499-M540 HydrophobicContact CD2-CE 4.41Å; L499-M540 HydrophobicContact CD2-SD 4.33Å; L499-L542 HydrophobicContact CB-CD1 4.32Å; L499-L542 HydrophobicContact CD1-CB 3.86Å; L499-L542 HydrophobicContact CD1-CD1 4.43Å |
| 500 | M | 69.7 | Low | 58.6 | Low | 104 Ų | 104 | 77.5 Ų | 77.5 | 51% | 0.512 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.6 | 172.6 | -60 | -153.5 | -65.5 | 0 | 0 | 110.8 | I498 M540 T541 | I498-M500 HydrophobicContact CG2-CG 4.38Å; M500-M540 CarbonylContact O-C 3.48Å; M500-M540 WeakPolarHBondContact O-CA 3.34Å; M500-T541 PolarHBondContact N-O 2.88Å; M500-T541 PolarHBondContact O-N 2.72Å |
| 501 | K | 61.2 | Low | 57.5 | Low | 28 Ų | 28 | 79 Ų | 79 | 12% | 0.122 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 119.9 | 168.9 | -67.7 | -176.5 | 177.3 | -176.4 | 0 | 109.2 | M504 T511 | K501-M504 HydrophobicContact CD-SD 4.15Å; K501-T511 PolarHBondContact NZ-OG1 2.78Å |
| 502 | H | 59.1 | Low | 56.8 | Low | 112 Ų | 112 | 83.2 Ų | 83.2 | 52% | 0.519 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -77.3 | 151.2 | 170 | -75.3 | -83.5 | 0 | 0 | 0 | 110.2 | M504 T541 | H502-M504 PolarHBondContact O-N 3.15Å; H502-T541 PolarHBondContact CD2-OG1 2.87Å; H502-T541 PolarHBondContact NE2-OG1 2.93Å |
| 503 | G | 53.8 | Low | 56.1 | Low | 85 Ų | 85 | 84.1 Ų | 84.1 | 88% | 0.876 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 82.3 | -7.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 504 | M | 42.1 | Very low | 55.5 | Low | 36 Ų | 36 | 82 Ų | 82 | 18% | 0.177 | 43% | 0.428 | C | S | . | . | trans | -90.3 | 136.9 | 173.8 | -60.4 | -149.5 | 81.6 | 0 | 0 | 112 | K501 H502 E508 | K501-M504 HydrophobicContact CD-SD 4.15Å; H502-M504 PolarHBondContact O-N 3.15Å; M504-E508 HydrophobicContact CE-CB 3.65Å; M504-E508 HydrophobicContact CE-CG 4.42Å; M504-E508 VanDerWaalsContact CE-OE2 3.3Å; M504-E508 WeakPolarHBondContact CE-OE2 3.48Å; M504-E508 HydrophobicContact SD-CB 4.47Å | ||
| 505 | P | 43.2 | Very low | 54.7 | Low | 70 Ų | 70 | 85.4 Ų | 85.4 | 46% | 0.455 | 44% | 0.444 | S | S | . | . | trans | -64.2 | 154.9 | 172.4 | 28.2 | -34.4 | 0 | 0 | 0 | 111.4 | S507 E508 | P505-S507 PolarHBondContact O-N 2.86Å; P505-E508 HydrophobicContact CG-CG 4.21Å; P505-E508 PolarHBondContact O-N 2.94Å | ||
| 506 | K | 46.8 | Very low | 54 | Low | 193 Ų | 193 | 86.3 Ų | 86.3 | 84% | 0.839 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -18.3 | -175.5 | -68.6 | -176 | 178.6 | 178.4 | 0 | 114.4 | ||
| 507 | S | 42.3 | Very low | 53.1 | Low | 90 Ų | 90 | 89.9 Ų | 89.9 | 63% | 0.629 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -37.5 | 173.4 | 41.3 | 0 | 0 | 0 | 0 | 113.7 | P505 | P505-S507 PolarHBondContact O-N 2.86Š|
| 508 | E | 45.4 | Very low | 52.4 | Low | 103 Ų | 103 | 90.4 Ų | 90.4 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -7.9 | -164.8 | -65.4 | -169 | 121.3 | 0 | 0 | 114.9 | M504 P505 K510 | M504-E508 HydrophobicContact CE-CB 3.65Å; M504-E508 HydrophobicContact CE-CG 4.42Å; M504-E508 VanDerWaalsContact CE-OE2 3.3Å; M504-E508 WeakPolarHBondContact CE-OE2 3.48Å; M504-E508 HydrophobicContact SD-CB 4.47Å; P505-E508 HydrophobicContact CG-CG 4.21Å; P505-E508 PolarHBondContact O-N 2.94Å; E508-K510 PolarHBondContact O-N 3.03Å |
| 509 | Q | 44.8 | Very low | 51.8 | Low | 112 Ų | 112 | 89.1 Ų | 89.1 | 52% | 0.523 | 47% | 0.466 | S | S | . | . | trans | -60 | -12.8 | 178.2 | -69.7 | -176.4 | -28.7 | 0 | 0 | 114.1 | T511 | Q509-T511 PolarHBondContact O-N 2.83Š| ||
| 510 | K | 42.3 | Very low | 51.3 | Low | 129 Ų | 129 | 87.9 Ų | 87.9 | 56% | 0.561 | 46% | 0.459 | S | S | * | . | trans | -80.6 | 36.9 | -179.7 | -68.9 | 169.9 | -180 | 159.5 | 0 | 114.3 | E508 K512 T1283 | E508-K510 PolarHBondContact O-N 3.03Å; K510-K512 PolarHBondContact O-N 2.88Å; K510-K512 VanDerWaalsContact O-N 3.16Å; K510-T1283 PolarHBondContact NZ-OG1 2.95Å | ||
| 511 | T | 40.2 | Very low | 51 | Low | 68 Ų | 68 | 83.7 Ų | 83.7 | 42% | 0.417 | 44% | 0.439 | S | S | . | . | trans | -70.4 | 105.6 | 171.7 | 40.6 | 0 | 0 | 0 | 0 | 111.3 | K501 Q509 E513 | K501-T511 PolarHBondContact NZ-OG1 2.78Å; Q509-T511 PolarHBondContact O-N 2.83Å; T511-E513 PolarHBondContact O-N 2.73Å | ||
| 512 | K | 40.4 | Very low | 51.3 | Low | 146 Ų | 146 | 86.3 Ų | 86.3 | 64% | 0.635 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 25.9 | -162.9 | -67.2 | 172.6 | 176.4 | 162.2 | 0 | 117.6 | K510 N1282 | K510-K512 PolarHBondContact O-N 2.88Å; K510-K512 VanDerWaalsContact O-N 3.16Å; K512-N1282 PolarHBondContact NZ-OD1 2.9Å |
| 513 | E | 44.3 | Very low | 51.6 | Low | 115 Ų | 115 | 83 Ų | 83 | 54% | 0.537 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | -11.1 | -174.2 | -68.5 | -165.2 | 141.4 | 0 | 0 | 116.6 | T511 Q515 K532 | T511-E513 PolarHBondContact O-N 2.73Å; E513-Q515 PolarHBondContact O-N 3.25Å; E513-K532 WeakPolarHBondContact OE2-CB 3.15Å; E513-K532 WeakPolarHBondContact OE2-CD 3.41Å |
| 514 | T | 47.1 | Very low | 52.5 | Low | 50 Ų | 50 | 79.9 Ų | 79.9 | 31% | 0.307 | 40% | 0.401 | S | S | . | . | trans | -92.6 | 87.9 | 175.2 | 48.5 | 0 | 0 | 0 | 0 | 112.2 | L499 I531 | L499-T514 HydrophobicContact CD2-CG2 4.18Å; T514-I531 HydrophobicContact CG2-CB 4.43Å; T514-I531 HydrophobicContact CG2-CG1 4Å; T514-I531 HydrophobicContact CG2-CG2 4.16Å | ||
| 515 | Q | 48.7 | Very low | 54 | Low | 164 Ų | 164 | 78.9 Ų | 78.9 | 77% | 0.766 | 40% | 0.395 | S | S | * | . | trans | -79.3 | 128.9 | 157.9 | -78.1 | -172.4 | -37 | 0 | 0 | 109.1 | E513 | E513-Q515 PolarHBondContact O-N 3.25Š| ||
| 516 | I | 56.6 | Low | 55.4 | Low | 28 Ų | 28 | 78.9 Ų | 78.9 | 14% | 0.144 | 39% | 0.388 | C | S | . | . | trans | -141.8 | 87.9 | -174.5 | -56 | -174.3 | 0 | 0 | 0 | 107.9 | C497 L499 C527 I529 | C497-I516 HydrophobicContact CB-CG2 3.87Å; C497-I516 WeakPolarHBondContact O-CG2 3.21Å; C497-I516 WeakPolarHBondContact SG-CG2 3.1Å; L499-I516 HydrophobicContact CB-CD1 3.3Å; L499-I516 HydrophobicContact CD2-CD1 3.9Å; L499-I516 HydrophobicContact CG-CD1 4.24Å; I516-C527 WeakPolarHBondContact CG2-SG 3.48Å; I516-I529 HydrophobicContact CD1-CD1 4.24Å; I516-I529 HydrophobicContact CD1-CG1 4.17Å; I516-I529 HydrophobicContact CD1-CG2 3.97Å; I516-I529 HydrophobicContact CG1-CG1 4.17Å; I516-I529 HydrophobicContact CG1-CG2 4.3Å; I516-I529 HydrophobicContact CG2-CD1 4.39Å; I516-I529 HydrophobicContact CG2-CG1 4.19Å | ||
| 517 | N | 56.1 | Low | 56.8 | Low | 120 Ų | 120 | 69.7 Ų | 69.7 | 64% | 0.642 | 35% | 0.348 | S | S | * | . | trans | -122 | 141 | 173.4 | -71.6 | 2.1 | 0 | 0 | 0 | 108.7 | I519 | N517-I519 PolarHBondContact O-N 2.74Š| ||
| 518 | P | 62.6 | Low | 58.1 | Low | 21 Ų | 21 | 69.4 Ų | 69.4 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 119.9 | 170.4 | 30.8 | -32.9 | 0 | 0 | 0 | 109.8 | Y299 F485 W525 | Y299-P518 HydrophobicContact CE1-CG 4.3Å; F485-P518 HydrophobicContact CE1-CB 4.28Å; F485-P518 HydrophobicContact CZ-CB 3.99Å; P518-W525 HydrophobicContact CB-CB 4.39Å; P518-W525 HydrophobicContact CB-CE3 3.92Å; P518-W525 HydrophobicContact CG-CE3 4.39Å |
| 519 | I | 65.2 | Low | 59.3 | Low | 64 Ų | 64 | 64.7 Ų | 64.7 | 33% | 0.328 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 109.3 | 179.8 | -55.2 | -179.2 | 0 | 0 | 0 | 108.8 | N517 K526 F528 | N517-I519 PolarHBondContact O-N 2.74Å; I519-K526 PolarHBondContact N-O 3.11Å; I519-K526 PolarHBondContact O-N 2.78Å; I519-F528 HydrophobicContact CD1-CD2 3.9Å; I519-F528 HydrophobicContact CD1-CE2 4.27Å; I519-F528 HydrophobicContact CG1-CD2 4.44Å |
| 520 | R | 66.1 | Low | 60.3 | Low | 7 Ų | 7 | 66 Ų | 66 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 137.2 | 171.6 | -167.8 | -171.7 | -165.6 | 92.6 | -0.6 | 110.1 | L301 L307 I308 E490 K522 T524 W525 | L301-R520 HydrophobicContact CD1-CB 4.48Å; L301-R520 HydrophobicContact CD2-CB 4.03Å; L301-R520 VanDerWaalsContact CD2-O 3.3Å; L301-R520 WeakPolarHBondContact CD2-O 3.39Å; L301-R520 HydrophobicContact CG-CB 4.29Å; L307-R520 HydrophobicContact CD2-CG 4.48Å; I308-R520 PolarHBondContact O-NH2 2.72Å; E490-R520 IonicContact OE1-CZ 3.59Å; E490-R520 IonicContact OE1-NH1 2.67Å; E490-R520 PolarHBondContact OE1-NH1 2.8Å; E490-R520 IonicContact OE1-NH2 2.77Å; E490-R520 IonicContact OE2-CZ 2.62Å; E490-R520 VanDerWaalsContact OE2-CZ 3.26Å; E490-R520 IonicContact OE2-NH1 2.73Å; E490-R520 PolarHBondContact OE2-NH1 2.76Å; E490-R520 IonicContact OE2-NH2 3.67Å; E490-R520 PolarHBondContact OE2-NH2 2.9Å; R520-K522 PolarHBondContact NE-O 3.23Å; R520-T524 WeakPolarHBondContact CA-O 3.38Å; R520-W525 HydrophobicContact CB-CD2 3.92Å; R520-W525 HydrophobicContact CB-CE3 3.79Å; R520-W525 HydrophobicContact CB-CH2 4.14Å; R520-W525 HydrophobicContact CB-CZ2 4.23Å; R520-W525 HydrophobicContact CB-CZ3 3.9Å; R520-W525 HydrophobicContact CG-CD2 4.38Å; R520-W525 HydrophobicContact CG-CZ2 4.46Å |
| 521 | T | 63 | Low | 61.3 | Low | 17 Ų | 17 | 60.1 Ų | 60.1 | 10% | 0.104 | 29% | 0.292 | C | S | . | . | trans | -115.7 | -53.3 | -176.5 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | I304 T524 K526 | I304-T521 VanDerWaalsContact CB-O 3.3Å; I304-T521 WeakPolarHBondContact CB-O 3.16Å; I304-T521 HydrophobicContact CD1-CG2 3.97Å; I304-T521 WeakPolarHBondContact CD1-O 3.39Å; I304-T521 VanDerWaalsContact CG2-O 3.25Å; I304-T521 WeakPolarHBondContact CG2-O 3.38Å; T521-T524 PolarHBondContact N-O 3.05Å; T521-T524 PolarHBondContact OG1-O 3.11Å; T521-T524 PolarHBondContact OG1-OG1 3.2Å; T521-K526 HydrophobicContact CG2-CB 4.32Å; T521-K526 HydrophobicContact CG2-CD 3.74Å; T521-K526 HydrophobicContact CG2-CG 3.9Å | ||
| 522 | K | 66.3 | Low | 62.2 | Low | 82 Ų | 82 | 63.1 Ų | 63.1 | 36% | 0.357 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -128.7 | -71.2 | 161.2 | -78.1 | -170.3 | 170.2 | -172.5 | 0 | 108.8 | I304 R520 | I304-K522 HydrophobicContact CG2-CG 3.82Å; R520-K522 PolarHBondContact NE-O 3.23Å |
| 523 | D | 67.4 | Low | 62.9 | Low | 42 Ų | 42 | 56.8 Ų | 56.8 | 23% | 0.225 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -127.7 | 7.4 | -177.6 | 71.8 | -49.9 | 0 | 0 | 0 | 112 | I308 R310 | I308-D523 HydrophobicContact CB-CB 4.29Å; R310-D523 IonicContact CZ-OD2 3.64Å; R310-D523 PolarHBondContact NH1-O 3.02Å; R310-D523 IonicContact NH1-OD2 3.87Å; R310-D523 IonicContact NH2-OD2 3.81Å; R310-D523 PolarHBondContact NH2-OD2 3.11Å |
| 524 | T | 71.1 | Confident | 63.4 | Low | 20 Ų | 20 | 58.9 Ų | 58.9 | 12% | 0.123 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -133.8 | 149.6 | -179.5 | 62.7 | 0 | 0 | 0 | 0 | 111.8 | W486 R520 T521 | W486-T524 HydrophobicContact CB-CG2 4.03Å; W486-T524 HydrophobicContact CD2-CG2 3.56Å; W486-T524 HydrophobicContact CE3-CG2 3.35Å; W486-T524 HydrophobicContact CG-CG2 3.89Å; W486-T524 HydrophobicContact CZ3-CG2 4.01Å; R520-T524 WeakPolarHBondContact CA-O 3.38Å; T521-T524 PolarHBondContact N-O 3.05Å; T521-T524 PolarHBondContact OG1-O 3.11Å; T521-T524 PolarHBondContact OG1-OG1 3.2Å |
| 525 | W | 73.3 | Confident | 63.7 | Low | 16 Ų | 16 | 61.1 Ų | 61.1 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 119.9 | -178.1 | -65.5 | 85 | 0 | 0 | 0 | 111.5 | Y299 S484 F485 E490 P495 P518 R520 Y546 | Y299-W525 AromaticContact CD1-CH2 3.51Å; Y299-W525 HydrophobicContact CD1-CH2 3.51Å; Y299-W525 AromaticContact CD1-CZ3 3.38Å; Y299-W525 HydrophobicContact CD1-CZ3 3.38Å; Y299-W525 HydrophobicContact CD2-CH2 4.01Å; Y299-W525 AromaticContact CE1-CH2 3.77Å; Y299-W525 HydrophobicContact CE1-CH2 3.77Å; Y299-W525 AromaticContact CE1-CZ3 3.65Å; Y299-W525 HydrophobicContact CE1-CZ3 3.65Å; Y299-W525 HydrophobicContact CE2-CH2 4.24Å; Y299-W525 AromaticContact CG-CH2 3.62Å; Y299-W525 HydrophobicContact CG-CH2 3.62Å; Y299-W525 AromaticContact CG-CZ3 3.95Å; Y299-W525 HydrophobicContact CG-CZ3 3.95Å; S484-W525 CarbonylContact C-O 3.29Å; S484-W525 VanDerWaalsContact CA-O 3.29Å; S484-W525 WeakPolarHBondContact CA-O 3.01Å; F485-W525 HydrophobicContact CD1-CB 4.47Å; F485-W525 WeakPolarHBondContact CD1-O 3.37Å; F485-W525 HydrophobicContact CD2-CB 4.42Å; F485-W525 HydrophobicContact CE1-CB 4.22Å; F485-W525 HydrophobicContact CE2-CB 4.19Å; F485-W525 HydrophobicContact CZ-CB 4.09Å; F485-W525 PolarHBondContact N-O 2.89Å; F485-W525 PolarHBondContact O-N 2.92Å; E490-W525 PolarHBondContact OE1-NE1 2.81Å; P495-W525 HydrophobicContact CB-CD2 4.26Å; P495-W525 HydrophobicContact CB-CG 4.41Å; P495-W525 HydrophobicContact CG-CD2 3.86Å; P495-W525 HydrophobicContact CG-CE3 4.15Å; P495-W525 HydrophobicContact CG-CG 4.44Å; P495-W525 HydrophobicContact CG-CH2 3.94Å; P495-W525 HydrophobicContact CG-CZ2 3.65Å; P495-W525 HydrophobicContact CG-CZ3 4.19Å; P518-W525 HydrophobicContact CB-CB 4.39Å; P518-W525 HydrophobicContact CB-CE3 3.92Å; P518-W525 HydrophobicContact CG-CE3 4.39Å; R520-W525 HydrophobicContact CB-CD2 3.92Å; R520-W525 HydrophobicContact CB-CE3 3.79Å; R520-W525 HydrophobicContact CB-CH2 4.14Å; R520-W525 HydrophobicContact CB-CZ2 4.23Å; R520-W525 HydrophobicContact CB-CZ3 3.9Å; R520-W525 HydrophobicContact CG-CD2 4.38Å; R520-W525 HydrophobicContact CG-CZ2 4.46Å; W525-Y546 AromaticContact CD1-CZ 3.93Å; W525-Y546 AromaticContact NE1-CZ 4Å; W525-Y546 PolarHBondContact NE1-OH 2.99Å |
| 526 | K | 73.2 | Confident | 64 | Low | 69 Ų | 69 | 56.9 Ų | 56.9 | 30% | 0.3 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 111.9 | 177.1 | -65.4 | -169.7 | -171.1 | 178.2 | 0 | 111.1 | I483 I519 T521 F528 | I483-K526 CarbonylContact O-C 3.1Å; I483-K526 VanDerWaalsContact O-CA 3.3Å; I483-K526 WeakPolarHBondContact O-CA 3.04Å; I519-K526 PolarHBondContact N-O 3.11Å; I519-K526 PolarHBondContact O-N 2.78Å; T521-K526 HydrophobicContact CG2-CB 4.32Å; T521-K526 HydrophobicContact CG2-CD 3.74Å; T521-K526 HydrophobicContact CG2-CG 3.9Å; K526-F528 HydrophobicContact CB-CD2 3.93Å; K526-F528 HydrophobicContact CB-CE2 3.43Å; K526-F528 VanDerWaalsContact CB-CE2 3.43Å; K526-F528 HydrophobicContact CB-CZ 4.1Å; K526-F528 HydrophobicContact CD-CE2 4.15Å; K526-F528 HydrophobicContact CD-CZ 4Å; K526-F528 HydrophobicContact CG-CE2 4.39Å |
| 527 | C | 75.7 | Confident | 64.1 | Low | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 116.9 | 160.5 | -172.2 | 0 | 0 | 0 | 0 | 109.4 | I483 F485 C497 I516 | I483-C527 PolarHBondContact N-O 2.75Å; I483-C527 PolarHBondContact O-N 2.88Å; F485-C527 HydrophobicContact CE1-CB 4.22Å; C497-C527 HydrophobicContact CB-CB 3.68Å; C497-C527 WeakPolarHBondContact CB-SG 3.47Å; C497-C527 WeakPolarHBondContact SG-CB 3.33Å; C497-C527 CovalentContact SG-SG 2.02Å; C497-C527 PolarHBondContact SG-SG 3.17Å; I516-C527 WeakPolarHBondContact CG2-SG 3.48Å |
| 528 | F | 70.6 | Confident | 64.5 | Low | 84 Ų | 84 | 55.2 Ų | 55.2 | 37% | 0.368 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.5 | 172.1 | -71.4 | -93.4 | 0 | 0 | 0 | 109 | N482 I519 K526 | N482-F528 HydrophobicContact CB-CD1 4.4Å; N482-F528 HydrophobicContact CB-CE1 4.44Å; N482-F528 VanDerWaalsContact OD1-CD1 3.23Å; N482-F528 WeakPolarHBondContact OD1-CD1 3.32Å; I519-F528 HydrophobicContact CD1-CD2 3.9Å; I519-F528 HydrophobicContact CD1-CE2 4.27Å; I519-F528 HydrophobicContact CG1-CD2 4.44Å; K526-F528 HydrophobicContact CB-CD2 3.93Å; K526-F528 HydrophobicContact CB-CE2 3.43Å; K526-F528 VanDerWaalsContact CB-CE2 3.43Å; K526-F528 HydrophobicContact CB-CZ 4.1Å; K526-F528 HydrophobicContact CD-CE2 4.15Å; K526-F528 HydrophobicContact CD-CZ 4Å; K526-F528 HydrophobicContact CG-CE2 4.39Å |
| 529 | I | 70 | Confident | 64.8 | Low | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 122.9 | 178.4 | -52.2 | 179.3 | 0 | 0 | 0 | 108.8 | L481 L499 I516 I531 L542 | L481-I529 HydrophobicContact CB-CB 4.36Å; L481-I529 HydrophobicContact CD2-CD1 4.09Å; L481-I529 PolarHBondContact N-O 3.46Å; L481-I529 PolarHBondContact O-N 3.26Å; L499-I529 HydrophobicContact CD2-CG2 4.48Å; I516-I529 HydrophobicContact CD1-CD1 4.24Å; I516-I529 HydrophobicContact CD1-CG1 4.17Å; I516-I529 HydrophobicContact CD1-CG2 3.97Å; I516-I529 HydrophobicContact CG1-CG1 4.17Å; I516-I529 HydrophobicContact CG1-CG2 4.3Å; I516-I529 HydrophobicContact CG2-CD1 4.39Å; I516-I529 HydrophobicContact CG2-CG1 4.19Å; I529-I531 HydrophobicContact CG2-CD1 3.92Å; I529-I531 HydrophobicContact CG2-CG1 3.74Å; I529-L542 HydrophobicContact CD1-CD1 3.45Å; I529-L542 VanDerWaalsContact CD1-CD1 3.45Å; I529-L542 HydrophobicContact CD1-CD2 3.35Å; I529-L542 HydrophobicContact CD1-CG 4.03Å |
| 530 | K | 65.9 | Low | 65.1 | Low | 139 Ų | 139 | 54 Ų | 54 | 60% | 0.604 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.7 | 174.4 | -165.6 | 160.8 | -170.1 | 168.5 | 0 | 109.2 | V479 N480 | V479-K530 WeakPolarHBondContact O-CA 3.41Å; N480-K530 VanDerWaalsContact OD1-CE 3.29Å; N480-K530 WeakPolarHBondContact OD1-CE 3.14Å |
| 531 | I | 63.9 | Low | 65.7 | Low | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 133 | -177.3 | -34.6 | -176.2 | 0 | 0 | 0 | 108.9 | S478 V479 L499 T514 I529 M533 M540 | S478-I531 CarbonylContact C-O 3.58Å; S478-I531 WeakPolarHBondContact CA-O 3.01Å; V479-I531 HydrophobicContact CB-CB 3.88Å; V479-I531 HydrophobicContact CB-CD1 4.37Å; V479-I531 HydrophobicContact CB-CG1 3.96Å; V479-I531 HydrophobicContact CG1-CD1 4.49Å; V479-I531 HydrophobicContact CG1-CG1 4.39Å; V479-I531 HydrophobicContact CG2-CB 3.96Å; V479-I531 HydrophobicContact CG2-CD1 4.36Å; V479-I531 HydrophobicContact CG2-CG1 4.29Å; V479-I531 PolarHBondContact N-O 2.98Å; V479-I531 PolarHBondContact O-N 3.48Å; L499-I531 HydrophobicContact CD2-CD1 3.9Å; T514-I531 HydrophobicContact CG2-CB 4.43Å; T514-I531 HydrophobicContact CG2-CG1 4Å; T514-I531 HydrophobicContact CG2-CG2 4.16Å; I529-I531 HydrophobicContact CG2-CD1 3.92Å; I529-I531 HydrophobicContact CG2-CG1 3.74Å; I531-M533 HydrophobicContact CG2-CE 3.97Å; I531-M533 HydrophobicContact CG2-CG 4.22Å; I531-M533 HydrophobicContact CG2-SD 3.98Å; I531-M540 HydrophobicContact CD1-CE 3.74Å; I531-M540 HydrophobicContact CD1-SD 3.61Å; I531-M540 HydrophobicContact CG2-CE 4.39Å |
| 532 | K | 58.2 | Low | 66.6 | Low | 131 Ų | 131 | 54 Ų | 54 | 57% | 0.57 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.7 | 172 | -145 | -177.6 | -178.1 | -174.6 | 0 | 106.8 | E513 | E513-K532 WeakPolarHBondContact OE2-CB 3.15Å; E513-K532 WeakPolarHBondContact OE2-CD 3.41Å |
| 533 | M | 56.2 | Low | 67.3 | Low | 13 Ų | 13 | 51.1 Ų | 51.1 | 6% | 0.064 | 26% | 0.26 | C | S | . | . | trans | -119.5 | 125.2 | -176.7 | -67.9 | -58.3 | -147.9 | 0 | 0 | 111.1 | N477 I531 Q538 M540 I557 | N477-M533 PolarHBondContact O-N 2.89Å; I531-M533 HydrophobicContact CG2-CE 3.97Å; I531-M533 HydrophobicContact CG2-CG 4.22Å; I531-M533 HydrophobicContact CG2-SD 3.98Å; M533-Q538 HydrophobicContact CE-CB 4.32Å; M533-M540 HydrophobicContact CE-CE 3.32Å; M533-I557 HydrophobicContact CE-CD1 3.68Å; M533-I557 HydrophobicContact CG-CD1 3.98Å | ||
| 534 | N | 53.9 | Low | 68 | Low | 159 Ų | 159 | 49.1 Ų | 49.1 | 85% | 0.85 | 25% | 0.249 | S | C | * | . | trans | -99.1 | -3.1 | 172.4 | -70.1 | 3.7 | 0 | 0 | 0 | 112.6 | ||||
| 535 | L | 53.5 | Low | 68.2 | Low | 96 Ų | 96 | 48.2 Ų | 48.2 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -111.9 | 144.1 | -176.3 | -72.3 | 167.7 | 0 | 0 | 0 | 110.8 | ||
| 536 | P | 54.2 | Low | 68.1 | Low | 75 Ų | 75 | 47.9 Ų | 47.9 | 49% | 0.487 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -62.3 | 146.6 | 171.5 | -16.6 | 29.7 | 0 | 0 | 0 | 112 | K559 | P536-K559 HydrophobicContact CB-CB 4.46Å; P536-K559 HydrophobicContact CB-CD 4.08Å; P536-K559 HydrophobicContact CG-CD 4.15Å |
| 537 | N | 59.4 | Low | 67.8 | Low | 78 Ų | 78 | 45.8 Ų | 45.8 | 42% | 0.417 | 24% | 0.24 | S | C | . | . | trans | 42 | 98.3 | 158.9 | -56.4 | -10.8 | 0 | 0 | 0 | 116.9 | I557 K559 M588 | N537-I557 WeakPolarHBondContact CA-O 3.23Å; N537-K559 PolarHBondContact OD1-N 3.38Å; N537-M588 WeakPolarHBondContact ND2-CE 3.42Å | ||
| 538 | Q | 64.5 | Low | 67.4 | Low | 36 Ų | 36 | 54.6 Ų | 54.6 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 150.2 | 178.8 | -65.8 | -162.7 | -12.6 | 0 | 0 | 113.2 | M533 I557 | M533-Q538 HydrophobicContact CE-CB 4.32Å; Q538-I557 PolarHBondContact N-O 3.46Å; Q538-I557 PolarHBondContact O-N 3.5Å |
| 539 | T | 68.2 | Low | 67.4 | Low | 56 Ų | 56 | 53.1 Ų | 53.1 | 34% | 0.344 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 144.4 | 170.1 | 46.2 | 0 | 0 | 0 | 0 | 111.8 | I555 F556 | T539-I555 WeakPolarHBondContact CA-O 3.03Å; T539-F556 HydrophobicContact CG2-CD1 3.43Å; T539-F556 VanDerWaalsContact CG2-CD1 3.43Å; T539-F556 HydrophobicContact CG2-CE1 3.62Å; T539-F556 HydrophobicContact CG2-CG 4.26Å |
| 540 | M | 73.3 | Confident | 67.5 | Low | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 147.9 | -174 | 40.2 | 161 | 69.3 | 0 | 0 | 110.5 | L499 M500 I531 M533 I555 I557 | L499-M540 HydrophobicContact CD1-CB 4.22Å; L499-M540 HydrophobicContact CD1-SD 4.04Å; L499-M540 HydrophobicContact CD2-CE 4.41Å; L499-M540 HydrophobicContact CD2-SD 4.33Å; M500-M540 CarbonylContact O-C 3.48Å; M500-M540 WeakPolarHBondContact O-CA 3.34Å; I531-M540 HydrophobicContact CD1-CE 3.74Å; I531-M540 HydrophobicContact CD1-SD 3.61Å; I531-M540 HydrophobicContact CG2-CE 4.39Å; M533-M540 HydrophobicContact CE-CE 3.32Å; M540-I555 HydrophobicContact CG-CB 3.77Å; M540-I555 HydrophobicContact CG-CG2 3.83Å; M540-I555 WeakPolarHBondContact CG-O 3.3Å; M540-I555 PolarHBondContact N-O 3.37Å; M540-I555 PolarHBondContact O-N 3.47Å; M540-I555 HydrophobicContact SD-CB 3.99Å; M540-I555 HydrophobicContact SD-CD1 4.47Å; M540-I555 HydrophobicContact SD-CG2 3.64Å; M540-I557 HydrophobicContact CE-CD1 3.81Å; M540-I557 HydrophobicContact SD-CD1 4.07Å |
| 541 | T | 78.6 | Confident | 68.1 | Low | 24 Ų | 24 | 53.6 Ų | 53.6 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 125.3 | -174.4 | -52.6 | 0 | 0 | 0 | 0 | 109.3 | M500 H502 F553 | M500-T541 PolarHBondContact N-O 2.88Å; M500-T541 PolarHBondContact O-N 2.72Å; H502-T541 PolarHBondContact CD2-OG1 2.87Å; H502-T541 PolarHBondContact NE2-OG1 2.93Å; T541-F553 CarbonylContact C-O 3.56Å; T541-F553 WeakPolarHBondContact CA-O 3.36Å |
| 542 | L | 80.2 | Confident | 68.7 | Low | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.5 | 179 | 170.2 | 63.4 | 0 | 0 | 0 | 109.9 | L481 I483 I498 L499 I529 I544 T552 F553 I555 | L481-L542 HydrophobicContact CD2-CD2 3.76Å; I483-L542 HydrophobicContact CD1-CD2 3.55Å; I498-L542 CarbonylContact O-C 3.49Å; I498-L542 WeakPolarHBondContact O-CA 3.12Å; L499-L542 HydrophobicContact CB-CD1 4.32Å; L499-L542 HydrophobicContact CD1-CB 3.86Å; L499-L542 HydrophobicContact CD1-CD1 4.43Å; I529-L542 HydrophobicContact CD1-CD1 3.45Å; I529-L542 VanDerWaalsContact CD1-CD1 3.45Å; I529-L542 HydrophobicContact CD1-CD2 3.35Å; I529-L542 HydrophobicContact CD1-CG 4.03Å; L542-I544 HydrophobicContact CD1-CG2 4.34Å; L542-I544 HydrophobicContact CG-CG2 4.33Å; L542-T552 CarbonylContact O-C 3.56Å; L542-T552 VanDerWaalsContact O-CA 3.25Å; L542-T552 WeakPolarHBondContact O-CA 3.42Å; L542-F553 HydrophobicContact CB-CB 4.22Å; L542-F553 HydrophobicContact CB-CD2 4.46Å; L542-F553 HydrophobicContact CD2-CD2 4.18Å; L542-F553 HydrophobicContact CG-CD2 4.19Å; L542-F553 PolarHBondContact N-O 3.38Å; L542-F553 PolarHBondContact O-N 2.87Å; L542-I555 HydrophobicContact CB-CD1 4.27Å; L542-I555 HydrophobicContact CD2-CD1 4.29Å |
| 543 | S | 81 | Confident | 69.6 | Low | 23 Ų | 23 | 48.9 Ų | 48.9 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.9 | 177 | -54.7 | 0 | 0 | 0 | 0 | 110.4 | C497 I498 R551 | C497-S543 CarbonylContact C-O 3.12Å; C497-S543 WeakPolarHBondContact CA-O 3.34Å; I498-S543 PolarHBondContact N-O 2.68Å; I498-S543 PolarHBondContact O-N 2.95Å; S543-R551 WeakPolarHBondContact CA-O 3.44Å |
| 544 | I | 82.8 | Confident | 70.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 155.2 | 173.1 | 74.3 | -178.4 | 0 | 0 | 0 | 110.3 | L446 I448 I483 F485 F496 C497 L542 K550 R551 F553 | L446-I544 HydrophobicContact CD2-CG1 4.38Å; I448-I544 HydrophobicContact CD1-CD1 3.91Å; I448-I544 HydrophobicContact CD1-CG1 4.4Å; I448-I544 HydrophobicContact CG1-CD1 4.12Å; I483-I544 HydrophobicContact CD1-CD1 4.5Å; I483-I544 HydrophobicContact CG2-CD1 3.62Å; F485-I544 HydrophobicContact CB-CD1 4.2Å; F485-I544 HydrophobicContact CD1-CB 4.41Å; F485-I544 HydrophobicContact CD1-CD1 4.01Å; F485-I544 HydrophobicContact CE1-CB 4.31Å; F485-I544 HydrophobicContact CG-CD1 4.23Å; F496-I544 VanDerWaalsContact CE2-C 3.4Å; F496-I544 WeakPolarHBondContact O-CA 3.26Å; C497-I544 HydrophobicContact CB-CG2 4.17Å; C497-I544 VanDerWaalsContact SG-CG2 3.51Å; L542-I544 HydrophobicContact CD1-CG2 4.34Å; L542-I544 HydrophobicContact CG-CG2 4.33Å; I544-K550 CarbonylContact O-C 3.51Å; I544-K550 WeakPolarHBondContact O-CA 3.39Å; I544-R551 HydrophobicContact CG1-CB 4.37Å; I544-R551 PolarHBondContact N-O 3.04Å; I544-R551 PolarHBondContact O-N 3.5Å; I544-F553 HydrophobicContact CD1-CE2 3.77Å; I544-F553 HydrophobicContact CD1-CZ 4.09Å; I544-F553 HydrophobicContact CG1-CE2 4.05Å; I544-F553 HydrophobicContact CG2-CE2 4.5Å |
| 545 | G | 75.3 | Confident | 71.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163.9 | -168.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | P495 F496 I549 | P495-G545 CarbonylContact C-O 3.31Å; P495-G545 VanDerWaalsContact CA-O 3.24Å; P495-G545 WeakPolarHBondContact CA-O 3.11Å; F496-G545 WeakPolarHBondContact CD1-O 3.3Å; F496-G545 VanDerWaalsContact CZ-CA 3.5Å; F496-G545 PolarHBondContact N-O 2.75Å; F496-G545 PolarHBondContact O-N 3.29Å; G545-I549 CarbonylContact C-O 3.56Å; G545-I549 WeakPolarHBondContact CA-O 3.29Å |
| 546 | Y | 72 | Confident | 72.4 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 4% | 0.039 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 118.8 | 168.8 | -70.9 | -115.2 | 0 | 0 | 0 | 108 | L446 F485 T487 E490 Q494 P495 W525 E548 I549 | L446-Y546 HydrophobicContact CD1-CD2 3.82Å; L446-Y546 HydrophobicContact CD1-CE2 4.08Å; F485-Y546 HydrophobicContact CD2-CD2 4.19Å; F485-Y546 AromaticContact CD2-CE2 3.75Å; F485-Y546 HydrophobicContact CD2-CE2 3.75Å; F485-Y546 HydrophobicContact CE2-CD2 4.05Å; F485-Y546 AromaticContact CE2-CE2 3.79Å; F485-Y546 HydrophobicContact CE2-CE2 3.79Å; T487-Y546 HydrophobicContact CG2-CD2 3.55Å; T487-Y546 HydrophobicContact CG2-CE2 3.61Å; T487-Y546 HydrophobicContact CG2-CG 4.05Å; T487-Y546 VanDerWaalsContact OG1-CZ 3.25Å; T487-Y546 PolarHBondContact OG1-OH 2.9Å; E490-Y546 HydrophobicContact CB-CE1 4.44Å; E490-Y546 HydrophobicContact CG-CE1 4.15Å; E490-Y546 PolarHBondContact OE1-OH 2.78Å; E490-Y546 VanDerWaalsContact OE1-OH 3.08Å; Q494-Y546 WeakPolarHBondContact O-CA 3.23Å; P495-Y546 HydrophobicContact CB-CD1 3.87Å; P495-Y546 HydrophobicContact CB-CD2 4.23Å; P495-Y546 HydrophobicContact CB-CE1 3.79Å; P495-Y546 HydrophobicContact CB-CE2 4.14Å; P495-Y546 HydrophobicContact CB-CG 4.13Å; P495-Y546 HydrophobicContact CG-CD1 4.15Å; P495-Y546 HydrophobicContact CG-CE1 3.86Å; W525-Y546 AromaticContact CD1-CZ 3.93Å; W525-Y546 AromaticContact NE1-CZ 4Å; W525-Y546 PolarHBondContact NE1-OH 2.99Å; Y546-E548 PolarHBondContact O-N 2.81Å; Y546-I549 PolarHBondContact N-O 2.87Å; Y546-I549 PolarHBondContact O-N 2.71Å |
| 547 | G | 67.5 | Low | 73.1 | Confident | 25 Ų | 25 | 37.6 Ų | 37.6 | 26% | 0.258 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | -123.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N493 Q494 F496 | N493-G547 VanDerWaalsContact CG-CA 3.48Å; N493-G547 WeakPolarHBondContact OD1-CA 2.99Å; Q494-G547 PolarHBondContact O-N 2.9Å; F496-G547 WeakPolarHBondContact CE1-O 3.12Å |
| 548 | E | 67 | Low | 73.2 | Confident | 184 Ų | 184 | 34.3 Ų | 34.3 | 86% | 0.86 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -26.6 | 177.4 | -58.4 | -159.3 | 133.8 | 0 | 0 | 114 | Y546 K550 | Y546-E548 PolarHBondContact O-N 2.81Å; E548-K550 PolarHBondContact O-N 3Å |
| 549 | I | 69.3 | Low | 72.9 | Confident | 54 Ų | 54 | 37 Ų | 37 | 28% | 0.277 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 98 | -173.8 | -55.5 | 162.7 | 0 | 0 | 0 | 108.4 | N444 L446 G545 Y546 | N444-I549 HydrophobicContact CB-CD1 3.86Å; L446-I549 HydrophobicContact CB-CG2 3.87Å; G545-I549 CarbonylContact C-O 3.56Å; G545-I549 WeakPolarHBondContact CA-O 3.29Å; Y546-I549 PolarHBondContact N-O 2.87Å; Y546-I549 PolarHBondContact O-N 2.71Å |
| 550 | K | 73.6 | Confident | 72.3 | Confident | 116 Ų | 116 | 35.6 Ų | 35.6 | 50% | 0.504 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140.9 | -172.4 | 72.6 | -163.3 | 175.7 | -161.9 | 0 | 112.7 | F496 I544 E548 | F496-K550 HydrophobicContact CZ-CB 3.8Å; I544-K550 CarbonylContact O-C 3.51Å; I544-K550 WeakPolarHBondContact O-CA 3.39Å; E548-K550 PolarHBondContact O-N 3Å |
| 551 | R | 76.8 | Confident | 71.4 | Confident | 36 Ų | 36 | 37.1 Ų | 37.1 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 139.3 | 171.1 | -78.2 | -85.9 | -175.1 | 151.6 | -0.1 | 110.1 | L446 I448 F464 S465 D466 S468 S543 I544 | L446-R551 HydrophobicContact CD2-CB 4.15Å; L446-R551 HydrophobicContact CD2-CG 3.93Å; I448-R551 HydrophobicContact CD1-CB 3.68Å; I448-R551 HydrophobicContact CD1-CG 3.67Å; F464-R551 PolarHBondContact O-NH2 3.39Å; S465-R551 PolarHBondContact O-NH1 3.17Å; S465-R551 PolarHBondContact O-NH2 3Å; D466-R551 IonicContact OD1-CZ 3.79Å; D466-R551 IonicContact OD1-NE 3.89Å; D466-R551 IonicContact OD1-NH2 2.87Å; D466-R551 PolarHBondContact OD1-NH2 2.03Å; S468-R551 PolarHBondContact OG-NH1 3.19Å; S543-R551 WeakPolarHBondContact CA-O 3.44Å; I544-R551 HydrophobicContact CG1-CB 4.37Å; I544-R551 PolarHBondContact N-O 3.04Å; I544-R551 PolarHBondContact O-N 3.5Å |
| 552 | T | 77.2 | Confident | 70.1 | Confident | 33 Ų | 33 | 42.8 Ų | 42.8 | 20% | 0.202 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 140.6 | -174 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | T469 L470 L542 | T469-T552 WeakPolarHBondContact CA-O 3.2Å; T469-T552 WeakPolarHBondContact CG2-OG1 3.44Å; L470-T552 PolarHBondContact N-O 2.78Å; L470-T552 VanDerWaalsContact N-O 3.07Å; L542-T552 CarbonylContact O-C 3.56Å; L542-T552 VanDerWaalsContact O-CA 3.25Å; L542-T552 WeakPolarHBondContact O-CA 3.42Å |
| 553 | F | 78 | Confident | 68.8 | Low | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 130.6 | 176.4 | -52.6 | -110.1 | 0 | 0 | 0 | 108.8 | I448 Y450 L470 L472 I483 T541 L542 I544 | I448-F553 HydrophobicContact CD1-CZ 4.44Å; I448-F553 HydrophobicContact CG2-CZ 4.22Å; Y450-F553 HydrophobicContact CD1-CE1 4.49Å; L470-F553 HydrophobicContact CB-CD1 3.85Å; L470-F553 HydrophobicContact CB-CE1 4.37Å; L470-F553 HydrophobicContact CD2-CD1 3.77Å; L470-F553 HydrophobicContact CD2-CE1 3.79Å; L470-F553 HydrophobicContact CG-CD1 4.38Å; L470-F553 CarbonylContact O-C 3.57Å; L470-F553 VanDerWaalsContact O-CA 3.28Å; L470-F553 WeakPolarHBondContact O-CA 3.27Å; L472-F553 HydrophobicContact CD1-CB 4.38Å; L472-F553 HydrophobicContact CD1-CD1 3.96Å; I483-F553 HydrophobicContact CD1-CD2 4.4Å; I483-F553 HydrophobicContact CD1-CE1 4.28Å; I483-F553 HydrophobicContact CD1-CE2 3.92Å; I483-F553 HydrophobicContact CD1-CZ 3.85Å; T541-F553 CarbonylContact C-O 3.56Å; T541-F553 WeakPolarHBondContact CA-O 3.36Å; L542-F553 HydrophobicContact CB-CB 4.22Å; L542-F553 HydrophobicContact CB-CD2 4.46Å; L542-F553 HydrophobicContact CD2-CD2 4.18Å; L542-F553 HydrophobicContact CG-CD2 4.19Å; L542-F553 PolarHBondContact N-O 3.38Å; L542-F553 PolarHBondContact O-N 2.87Å; I544-F553 HydrophobicContact CD1-CE2 3.77Å; I544-F553 HydrophobicContact CD1-CZ 4.09Å; I544-F553 HydrophobicContact CG1-CE2 4.05Å; I544-F553 HydrophobicContact CG2-CE2 4.5Å |
| 554 | Q | 75.8 | Confident | 67.6 | Low | 77 Ų | 77 | 49.1 Ų | 49.1 | 36% | 0.36 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 115.5 | 168.8 | -66.5 | -169.4 | 15.5 | 0 | 0 | 109.1 | L470 S471 L472 F556 | L470-Q554 PolarHBondContact O-N 2.98Å; S471-Q554 CarbonylContact C-O 3.49Å; S471-Q554 WeakPolarHBondContact CA-O 3.22Å; L472-Q554 PolarHBondContact N-O 3.3Å; Q554-F556 HydrophobicContact CB-CD2 4.49Å; Q554-F556 HydrophobicContact CB-CE2 3.73Å; Q554-F556 HydrophobicContact CB-CZ 4.32Å |
| 555 | I | 75.5 | Confident | 66.8 | Low | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.3 | -179.3 | -69.7 | 158.4 | 0 | 0 | 0 | 109 | L472 I474 L481 T539 M540 L542 I557 | L472-I555 HydrophobicContact CB-CG1 4Å; L472-I555 HydrophobicContact CD1-CG1 3.94Å; L472-I555 HydrophobicContact CG-CG1 4.46Å; L472-I555 WeakPolarHBondContact O-CA 3.32Å; I474-I555 HydrophobicContact CD1-CG2 3.47Å; I474-I555 VanDerWaalsContact CD1-CG2 3.47Å; I474-I555 HydrophobicContact CG1-CG2 4.08Å; L481-I555 HydrophobicContact CD2-CD1 4.41Å; T539-I555 WeakPolarHBondContact CA-O 3.03Å; M540-I555 HydrophobicContact CG-CB 3.77Å; M540-I555 HydrophobicContact CG-CG2 3.83Å; M540-I555 WeakPolarHBondContact CG-O 3.3Å; M540-I555 PolarHBondContact N-O 3.37Å; M540-I555 PolarHBondContact O-N 3.47Å; M540-I555 HydrophobicContact SD-CB 3.99Å; M540-I555 HydrophobicContact SD-CD1 4.47Å; M540-I555 HydrophobicContact SD-CG2 3.64Å; L542-I555 HydrophobicContact CB-CD1 4.27Å; L542-I555 HydrophobicContact CD2-CD1 4.29Å; I555-I557 HydrophobicContact CG2-CG1 4.09Å |
| 556 | F | 71 | Confident | 66.8 | Low | 20 Ų | 20 | 50.4 Ų | 50.4 | 9% | 0.088 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 110.9 | 178.8 | -63.8 | -96 | 0 | 0 | 0 | 108.9 | L472 L473 I474 T539 Q554 F596 | L472-F556 PolarHBondContact O-N 3.17Å; L473-F556 CarbonylContact C-O 3.49Å; L473-F556 WeakPolarHBondContact CA-O 3.02Å; L473-F556 HydrophobicContact CD1-CB 4.14Å; I474-F556 PolarHBondContact N-O 2.77Å; T539-F556 HydrophobicContact CG2-CD1 3.43Å; T539-F556 VanDerWaalsContact CG2-CD1 3.43Å; T539-F556 HydrophobicContact CG2-CE1 3.62Å; T539-F556 HydrophobicContact CG2-CG 4.26Å; Q554-F556 HydrophobicContact CB-CD2 4.49Å; Q554-F556 HydrophobicContact CB-CE2 3.73Å; Q554-F556 HydrophobicContact CB-CZ 4.32Å; F556-F596 HydrophobicContact CD1-CZ 4.44Å; F556-F596 HydrophobicContact CD2-CE1 4.25Å; F556-F596 HydrophobicContact CD2-CZ 4.12Å; F556-F596 HydrophobicContact CE2-CE1 4.12Å; F556-F596 HydrophobicContact CE2-CZ 4.38Å; F556-F596 HydrophobicContact CG-CZ 4.17Å; F556-F596 HydrophobicContact CZ-CE1 4.44Å |
| 557 | I | 67.8 | Low | 67.1 | Low | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.041 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.1 | 177.9 | -59.7 | 176.1 | 0 | 0 | 0 | 108.6 | I474 V479 M533 N537 Q538 M540 I555 | I474-I557 HydrophobicContact CB-CG1 4.34Å; I474-I557 HydrophobicContact CD1-CG1 4.27Å; V479-I557 HydrophobicContact CG2-CD1 4.17Å; M533-I557 HydrophobicContact CE-CD1 3.68Å; M533-I557 HydrophobicContact CG-CD1 3.98Å; N537-I557 WeakPolarHBondContact CA-O 3.23Å; Q538-I557 PolarHBondContact N-O 3.46Å; Q538-I557 PolarHBondContact O-N 3.5Å; M540-I557 HydrophobicContact CE-CD1 3.81Å; M540-I557 HydrophobicContact SD-CD1 4.07Å; I555-I557 HydrophobicContact CG2-CG1 4.09Å |
| 558 | V | 63 | Low | 67.7 | Low | 9 Ų | 9 | 53.8 Ų | 53.8 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | trans | -113.1 | 125.9 | 173.9 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | L473 I474 S560 I561 L564 M588 | L473-V558 HydrophobicContact CD1-CG2 3.79Å; I474-V558 PolarHBondContact O-N 2.9Å; V558-S560 VanDerWaalsContact C-N 3.3Å; V558-S560 PolarHBondContact O-N 2.04Å; V558-I561 HydrophobicContact CB-CG1 4.23Å; V558-I561 HydrophobicContact CG1-CG1 3.86Å; V558-L564 HydrophobicContact CG1-CD1 4.5Å; V558-M588 HydrophobicContact CG1-CE 3.73Å; V558-M588 HydrophobicContact CG2-CE 4.24Å | ||
| 559 | K | 57.5 | Low | 68.4 | Low | 93 Ų | 93 | 49.2 Ų | 49.2 | 40% | 0.404 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -61.2 | -38.8 | -173.3 | -167.3 | -162.6 | 176.4 | -157.3 | 0 | 112.7 | P536 N537 | P536-K559 HydrophobicContact CB-CB 4.46Å; P536-K559 HydrophobicContact CB-CD 4.08Å; P536-K559 HydrophobicContact CG-CD 4.15Å; N537-K559 PolarHBondContact OD1-N 3.38Å |
| 560 | S | 55.8 | Low | 68.7 | Low | 25 Ų | 25 | 50.4 Ų | 50.4 | 18% | 0.175 | 25% | 0.25 | C | C | . | . | trans | -157.5 | 122.6 | 173.4 | -176.5 | 0 | 0 | 0 | 0 | 109.4 | V558 L562 E563 | V558-S560 VanDerWaalsContact C-N 3.3Å; V558-S560 PolarHBondContact O-N 2.04Å; S560-L562 VanDerWaalsContact C-N 3.26Å; S560-L562 PolarHBondContact OG-N 2.84Å; S560-L562 VanDerWaalsContact OG-N 3.1Å; S560-E563 WeakPolarHBondContact CB-OE2 3.29Å; S560-E563 PolarHBondContact OG-N 2.73Å; S560-E563 VanDerWaalsContact OG-N 3.07Å | ||
| 561 | I | 54.4 | Low | 68.8 | Low | 34 Ų | 34 | 46.3 Ų | 46.3 | 17% | 0.174 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -80.2 | -16.8 | 163.5 | -59.9 | 174.3 | 0 | 0 | 0 | 109.7 | L473 K475 V558 E563 L564 | L473-I561 HydrophobicContact CD2-CD1 4.1Å; K475-I561 HydrophobicContact CG-CD1 4.24Å; V558-I561 HydrophobicContact CB-CG1 4.23Å; V558-I561 HydrophobicContact CG1-CG1 3.86Å; I561-E563 VanDerWaalsContact C-N 3.32Å; I561-L564 PolarHBondContact O-N 2.91Å |
| 562 | L | 51.3 | Low | 68.3 | Low | 144 Ų | 144 | 50 Ų | 50 | 75% | 0.754 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -12.2 | 179.8 | -70.5 | 159.2 | 0 | 0 | 0 | 113.5 | S560 | S560-L562 VanDerWaalsContact C-N 3.26Å; S560-L562 PolarHBondContact OG-N 2.84Å; S560-L562 VanDerWaalsContact OG-N 3.1Å |
| 563 | E | 52.5 | Low | 67.4 | Low | 134 Ų | 134 | 50.2 Ų | 50.2 | 63% | 0.626 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -2.5 | 169.2 | -68.8 | 171.1 | 166.6 | 0 | 0 | 111.8 | S560 I561 T565 | S560-E563 WeakPolarHBondContact CB-OE2 3.29Å; S560-E563 PolarHBondContact OG-N 2.73Å; S560-E563 VanDerWaalsContact OG-N 3.07Å; I561-E563 VanDerWaalsContact C-N 3.32Å; E563-T565 PolarHBondContact O-N 2.98Å |
| 564 | L | 55.6 | Low | 66.4 | Low | 21 Ų | 21 | 52.8 Ų | 52.8 | 11% | 0.11 | 27% | 0.267 | C | S | . | . | trans | -99.3 | 72.4 | -178.4 | -62.3 | -175.7 | 0 | 0 | 0 | 111.5 | V558 I561 M588 I592 F686 | V558-L564 HydrophobicContact CG1-CD1 4.5Å; I561-L564 PolarHBondContact O-N 2.91Å; L564-M588 HydrophobicContact CD1-CB 4.32Å; L564-M588 HydrophobicContact CD1-CE 4.1Å; L564-M588 HydrophobicContact CD1-CG 3.84Å; L564-M588 HydrophobicContact CD1-SD 3.98Å; L564-M588 HydrophobicContact CD2-CB 3.8Å; L564-M588 HydrophobicContact CD2-CG 3.99Å; L564-M588 HydrophobicContact CD2-SD 3.8Å; L564-M588 HydrophobicContact CG-SD 4.48Å; L564-I592 HydrophobicContact CD1-CD1 3.96Å; L564-F686 HydrophobicContact CB-CD1 4.26Å; L564-F686 HydrophobicContact CB-CE1 4.33Å; L564-F686 HydrophobicContact CD1-CE1 4.29Å | ||
| 565 | T | 65.2 | Low | 65.5 | Low | 27 Ų | 27 | 49.3 Ų | 49.3 | 17% | 0.166 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -86 | 148.1 | 176.7 | 51.3 | 0 | 0 | 0 | 0 | 113.3 | E563 N586 N687 H689 | E563-T565 PolarHBondContact O-N 2.98Å; T565-N586 PolarHBondContact O-ND2 2.73Å; T565-N687 CarbonylContact C-O 3.59Å; T565-N687 WeakPolarHBondContact CA-O 3.09Å; T565-N687 WeakPolarHBondContact CB-O 3.07Å; T565-N687 WeakPolarHBondContact CG2-O 3.31Å; T565-H689 PolarHBondContact OG1-CD2 3.26Å; T565-H689 VanDerWaalsContact OG1-CD2 3.31Å; T565-H689 PolarHBondContact OG1-NE2 3.24Å |
| 566 | R | 75.9 | Confident | 64.5 | Low | 1 Ų | 1 | 51.5 Ų | 51.5 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -73.9 | 158.6 | 160.4 | -75.6 | -158.5 | 166.4 | -152.3 | 4.8 | 110.8 | C583 I584 E589 F624 S678 F686 N687 S688 | R566-C583 WeakPolarHBondContact CD-SG 3.24Å; R566-C583 PolarHBondContact NH1-O 3.08Å; R566-I584 WeakPolarHBondContact CA-O 3.2Å; R566-I584 WeakPolarHBondContact CB-O 3.35Å; R566-E589 VanDerWaalsContact CG-OE2 3.25Å; R566-E589 WeakPolarHBondContact CG-OE2 3.48Å; R566-E589 IonicContact CZ-OE1 3.28Å; R566-E589 VanDerWaalsContact CZ-OE1 3.28Å; R566-E589 IonicContact CZ-OE2 3.72Å; R566-E589 IonicContact NE-OE1 2.99Å; R566-E589 PolarHBondContact NE-OE1 2.9Å; R566-E589 IonicContact NE-OE2 2.9Å; R566-E589 PolarHBondContact NE-OE2 3.04Å; R566-E589 IonicContact NH2-OE1 2.72Å; R566-E589 PolarHBondContact NH2-OE1 3.22Å; R566-E589 IonicContact NH2-OE2 3.77Å; R566-F624 PolarHBondContact NH1-O 3.37Å; R566-S678 PolarHBondContact NE-OG 3.14Å; R566-F686 HydrophobicContact CG-CB 4.45Å; R566-N687 PolarHBondContact N-O 3.17Å; R566-S688 WeakPolarHBondContact O-CA 3.18Å; R566-S688 WeakPolarHBondContact O-CB 3.42Å |
| 567 | N | 77.6 | Confident | 63.9 | Low | 91 Ų | 91 | 57.7 Ų | 57.7 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 141.1 | 171.1 | -72 | -8.1 | 0 | 0 | 0 | 110.7 | E569 C583 I584 | N567-E569 HydrophobicContact CB-CG 4.43Å; N567-C583 CarbonylContact O-C 3.57Å; N567-C583 WeakPolarHBondContact O-CA 3.48Å; N567-I584 PolarHBondContact N-O 2.76Å; N567-I584 VanDerWaalsContact N-O 3.08Å; N567-I584 PolarHBondContact O-N 3.44Å |
| 568 | V | 80.1 | Confident | 63.9 | Low | 14 Ų | 14 | 61.1 Ų | 61.1 | 9% | 0.085 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 113.5 | 165.6 | 176.3 | 0 | 0 | 0 | 0 | 108 | H582 W606 V674 C676 | V568-H582 WeakPolarHBondContact CA-O 3.48Å; V568-W606 HydrophobicContact CG1-CZ3 4.25Å; V568-W606 HydrophobicContact CG2-CZ3 4.46Å; V568-V674 HydrophobicContact CG1-CB 4.41Å; V568-V674 HydrophobicContact CG1-CG1 4.22Å; V568-C676 HydrophobicContact CG2-CB 4.43Å |
| 569 | E | 82.1 | Confident | 64.1 | Low | 89 Ų | 89 | 61.8 Ų | 61.8 | 42% | 0.416 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 166.9 | 180 | -60.8 | -170.7 | -178.8 | 0 | 0 | 111.8 | N567 L571 L581 H582 I584 | N567-E569 HydrophobicContact CB-CG 4.43Å; E569-L571 VanDerWaalsContact C-N 3.25Å; E569-L571 PolarHBondContact O-N 2.89Å; E569-L581 WeakPolarHBondContact O-CA 3.03Å; E569-H582 HydrophobicContact CB-CB 4.4Å; E569-H582 PolarHBondContact N-O 3.14Å; E569-H582 PolarHBondContact O-N 3.36Å; E569-H582 VanDerWaalsContact O-N 3.16Å; E569-I584 HydrophobicContact CG-CD1 4.22Å; E569-I584 WeakPolarHBondContact OE2-CD1 3.05Å |
| 570 | N | 76.8 | Confident | 65.1 | Low | 78 Ų | 78 | 62.7 Ų | 62.7 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | trans | 62 | 12.4 | -177 | -72.4 | -17.5 | 0 | 0 | 0 | 117.4 | Q572 Y580 H582 | N570-Q572 PolarHBondContact O-N 3.48Å; N570-Q572 VanDerWaalsContact O-N 3.07Å; N570-Y580 WeakPolarHBondContact CB-O 3.38Å; N570-Y580 PolarHBondContact ND2-O 2.95Å; N570-H582 PolarHBondContact ND2-CD2 2.86Å; N570-H582 VanDerWaalsContact ND2-CD2 3.28Å; N570-H582 PolarHBondContact ND2-NE2 3.18Å | ||
| 571 | L | 74.4 | Confident | 66.4 | Low | 31 Ų | 31 | 61.5 Ų | 61.5 | 16% | 0.162 | 31% | 0.308 | C | S | . | . | trans | -74.1 | 96.6 | 167.8 | -171.2 | 71.2 | 0 | 0 | 0 | 110.5 | E569 L581 L672 V674 S691 T693 | E569-L571 VanDerWaalsContact C-N 3.25Å; E569-L571 PolarHBondContact O-N 2.89Å; L571-L581 HydrophobicContact CB-CD2 3.91Å; L571-L581 HydrophobicContact CD1-CD1 4.38Å; L571-L581 HydrophobicContact CD1-CD2 3.89Å; L571-L672 HydrophobicContact CD1-CD2 3.93Å; L571-L672 HydrophobicContact CD1-CG 4.46Å; L571-V674 HydrophobicContact CD1-CG2 3.93Å; L571-V674 HydrophobicContact CD2-CG2 4.41Å; L571-S691 WeakPolarHBondContact CD2-O 3.27Å; L571-T693 HydrophobicContact CD1-CG2 4.16Å; L571-T693 HydrophobicContact CD2-CG2 4.22Å; L571-T693 HydrophobicContact CG-CG2 3.93Å | ||
| 572 | Q | 66.8 | Low | 67.8 | Low | 112 Ų | 112 | 61.7 Ų | 61.7 | 52% | 0.523 | 31% | 0.308 | S | S | . | . | trans | -104.8 | 151.5 | 179.7 | -61.1 | 178.9 | 3.5 | 0 | 0 | 111.1 | N570 Q574 | N570-Q572 PolarHBondContact O-N 3.48Å; N570-Q572 VanDerWaalsContact O-N 3.07Å; Q572-Q574 VanDerWaalsContact C-N 3.28Å; Q572-Q574 PolarHBondContact O-N 2.82Å | ||
| 573 | S | 57.4 | Low | 69.4 | Low | 38 Ų | 38 | 54.9 Ų | 54.9 | 27% | 0.266 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -68.4 | -25.6 | 175.1 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | I575 T693 L694 | S573-I575 VanDerWaalsContact C-N 3.34Å; S573-I575 PolarHBondContact O-N 3.32Å; S573-T693 VanDerWaalsContact CA-OG1 3.24Å; S573-T693 WeakPolarHBondContact CA-OG1 3.35Å; S573-T693 WeakPolarHBondContact CB-OG1 3.45Å; S573-T693 PolarHBondContact N-OG1 3.3Å; S573-L694 WeakPolarHBondContact CB-O 3.23Å |
| 574 | Q | 58 | Low | 70.8 | Confident | 61 Ų | 61 | 49.9 Ų | 49.9 | 29% | 0.285 | 25% | 0.249 | S | C | . | . | trans | -84.1 | 66.3 | -175.8 | -60.5 | -175.2 | -91.3 | 0 | 0 | 112.7 | Q572 T576 L798 | Q572-Q574 VanDerWaalsContact C-N 3.28Å; Q572-Q574 PolarHBondContact O-N 2.82Å; Q574-T576 PolarHBondContact O-N 3.1Å; Q574-L798 PolarHBondContact NE2-O 3.24Å | ||
| 575 | I | 57.8 | Low | 72 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 61 | 173 | -44.5 | -176.4 | 0 | 0 | 0 | 110.4 | S573 P632 I642 L672 L695 | S573-I575 VanDerWaalsContact C-N 3.34Å; S573-I575 PolarHBondContact O-N 3.32Å; I575-P632 HydrophobicContact CG2-CB 4.22Å; I575-P632 HydrophobicContact CG2-CG 4.33Å; I575-I642 HydrophobicContact CD1-CD1 4.28Å; I575-L672 HydrophobicContact CD1-CD2 3.43Å; I575-L672 VanDerWaalsContact CD1-CD2 3.43Å; I575-L695 HydrophobicContact CD1-CD1 4.34Å; I575-L695 HydrophobicContact CD1-CD2 3.58Å; I575-L695 HydrophobicContact CG1-CD2 3.8Å |
| 576 | T | 52.5 | Low | 72.5 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 29% | 0.288 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -8.6 | 173.9 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | Q574 | Q574-T576 PolarHBondContact O-N 3.1Š|
| 577 | Q | 60.3 | Low | 72.5 | Confident | 151 Ų | 151 | 56 Ų | 56 | 71% | 0.706 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -132.1 | 166.8 | 173 | -65.4 | -174.4 | -11.2 | 0 | 0 | 109.2 | S579 | Q577-S579 PolarHBondContact O-N 3.25Š|
| 578 | Q | 66.2 | Low | 72 | Confident | 79 Ų | 79 | 54.1 Ų | 54.1 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | trans | -70 | 120.2 | 177.3 | -170.3 | -158.2 | -81.1 | 0 | 0 | 110.4 | Y580 K629 L630 I631 | Q578-Y580 PolarHBondContact NE2-OH 2.83Å; Q578-K629 HydrophobicContact CG-CD 4.44Å; Q578-K629 HydrophobicContact CG-CG 4.14Å; Q578-L630 WeakPolarHBondContact CA-O 3.45Å; Q578-L630 VanDerWaalsContact CG-O 3.31Å; Q578-L630 WeakPolarHBondContact CG-O 3.38Å; Q578-I631 HydrophobicContact CG-CG1 4.4Å | ||
| 579 | S | 67.6 | Low | 71.8 | Confident | 23 Ų | 23 | 53.4 Ų | 53.4 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 149.9 | 178.9 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | Q577 L630 | Q577-S579 PolarHBondContact O-N 3.25Å; S579-L630 PolarHBondContact N-O 3.34Å; S579-L630 PolarHBondContact O-N 3.24Å; S579-L630 WeakPolarHBondContact OG-CB 3.11Å |
| 580 | Y | 79.5 | Confident | 71.5 | Confident | 112 Ų | 112 | 53.2 Ų | 53.2 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 109.2 | 178.7 | -66.4 | -78.2 | 0 | 0 | 0 | 108.4 | N570 Q578 H582 I627 F628 K629 | N570-Y580 WeakPolarHBondContact CB-O 3.38Å; N570-Y580 PolarHBondContact ND2-O 2.95Å; Q578-Y580 PolarHBondContact NE2-OH 2.83Å; Y580-H582 PolarHBondContact O-CD2 2.73Å; Y580-H582 VanDerWaalsContact O-CD2 3.23Å; Y580-I627 HydrophobicContact CD1-CG2 3.81Å; Y580-I627 HydrophobicContact CG-CG2 4.26Å; Y580-F628 CarbonylContact C-O 3.52Å; Y580-F628 WeakPolarHBondContact CA-O 3.4Å; Y580-K629 HydrophobicContact CD1-CB 4.37Å; Y580-K629 HydrophobicContact CE1-CD 4.22Å; Y580-K629 HydrophobicContact CE1-CG 4.45Å |
| 581 | L | 82.1 | Confident | 71.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 139.6 | 176.6 | -54.6 | -179.3 | 0 | 0 | 0 | 110 | E569 L571 W606 I627 F628 L630 V674 | E569-L581 WeakPolarHBondContact O-CA 3.03Å; L571-L581 HydrophobicContact CB-CD2 3.91Å; L571-L581 HydrophobicContact CD1-CD1 4.38Å; L571-L581 HydrophobicContact CD1-CD2 3.89Å; L581-W606 HydrophobicContact CB-CH2 3.93Å; L581-W606 HydrophobicContact CB-CZ3 3.84Å; L581-W606 HydrophobicContact CD1-CZ3 4.36Å; L581-I627 CarbonylContact O-C 3.58Å; L581-I627 VanDerWaalsContact O-CA 3.25Å; L581-I627 WeakPolarHBondContact O-CA 3.49Å; L581-F628 HydrophobicContact CB-CB 4.41Å; L581-F628 PolarHBondContact N-O 3.29Å; L581-F628 PolarHBondContact O-N 2.85Å; L581-L630 HydrophobicContact CD1-CD1 3.86Å; L581-L630 HydrophobicContact CD2-CD1 4.16Å; L581-L630 HydrophobicContact CG-CD1 4.06Å; L581-V674 HydrophobicContact CD1-CB 4.37Å; L581-V674 HydrophobicContact CD1-CG1 3.98Å; L581-V674 HydrophobicContact CD1-CG2 3.92Å |
| 582 | H | 84.7 | Confident | 70.9 | Confident | 39 Ų | 39 | 51.8 Ų | 51.8 | 18% | 0.181 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.3 | 178.8 | -63.3 | -118.3 | 0 | 0 | 0 | 110.7 | V568 E569 N570 Y580 I584 H626 | V568-H582 WeakPolarHBondContact CA-O 3.48Å; E569-H582 HydrophobicContact CB-CB 4.4Å; E569-H582 PolarHBondContact N-O 3.14Å; E569-H582 PolarHBondContact O-N 3.36Å; E569-H582 VanDerWaalsContact O-N 3.16Å; N570-H582 PolarHBondContact ND2-CD2 2.86Å; N570-H582 VanDerWaalsContact ND2-CD2 3.28Å; N570-H582 PolarHBondContact ND2-NE2 3.18Å; Y580-H582 PolarHBondContact O-CD2 2.73Å; Y580-H582 VanDerWaalsContact O-CD2 3.23Å; H582-I584 HydrophobicContact CB-CD1 4.27Å; H582-I584 HydrophobicContact CB-CG1 4.04Å; H582-H626 WeakPolarHBondContact CA-O 3.48Å |
| 583 | C | 84.4 | Confident | 71 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 94.9 | 176.7 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | R566 N567 V604 W606 H626 C676 | R566-C583 WeakPolarHBondContact CD-SG 3.24Å; R566-C583 PolarHBondContact NH1-O 3.08Å; N567-C583 CarbonylContact O-C 3.57Å; N567-C583 WeakPolarHBondContact O-CA 3.48Å; C583-V604 HydrophobicContact CB-CG1 4.39Å; C583-W606 HydrophobicContact CB-CH2 3.54Å; C583-W606 HydrophobicContact CB-CZ2 3.54Å; C583-W606 HydrophobicContact CB-CZ3 4.25Å; C583-H626 HydrophobicContact CB-CB 4.45Å; C583-H626 PolarHBondContact N-O 3.03Å; C583-C676 HydrophobicContact CB-CB 3.73Å; C583-C676 WeakPolarHBondContact CB-SG 3.38Å; C583-C676 WeakPolarHBondContact SG-CB 3.15Å; C583-C676 CovalentContact SG-SG 2.04Å; C583-C676 PolarHBondContact SG-SG 3.48Å |
| 584 | I | 82.9 | Confident | 71.8 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 15% | 0.149 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 132.5 | -166.2 | -53.1 | -167 | 0 | 0 | 0 | 112 | R566 N567 E569 H582 E625 | R566-I584 WeakPolarHBondContact CA-O 3.2Å; R566-I584 WeakPolarHBondContact CB-O 3.35Å; N567-I584 PolarHBondContact N-O 2.76Å; N567-I584 VanDerWaalsContact N-O 3.08Å; N567-I584 PolarHBondContact O-N 3.44Å; E569-I584 HydrophobicContact CG-CD1 4.22Å; E569-I584 WeakPolarHBondContact OE2-CD1 3.05Å; H582-I584 HydrophobicContact CB-CD1 4.27Å; H582-I584 HydrophobicContact CB-CG1 4.04Å; I584-E625 HydrophobicContact CG1-CG 4.41Å |
| 585 | P | 80 | Confident | 72.1 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 134 | 174.9 | 31 | -33.2 | 0 | 0 | 0 | 112.4 | E589 R590 F624 | P585-E589 WeakPolarHBondContact CA-OE2 3.34Å; P585-E589 HydrophobicContact CB-CB 4.27Å; P585-E589 HydrophobicContact CB-CG 4.05Å; P585-E589 VanDerWaalsContact CB-OE2 3.22Å; P585-E589 WeakPolarHBondContact CB-OE2 3.36Å; P585-R590 HydrophobicContact CB-CG 4.41Å; P585-R590 HydrophobicContact CG-CG 4.39Å; P585-R590 PolarHBondContact O-NE 2.77Å; P585-R590 PolarHBondContact O-NH2 2.85Å; P585-F624 HydrophobicContact CB-CD1 4.21Å; P585-F624 WeakPolarHBondContact CD-O 3.37Å; P585-F624 HydrophobicContact CG-CB 3.91Å; P585-F624 HydrophobicContact CG-CD1 3.67Å; P585-F624 HydrophobicContact CG-CG 4.09Å |
| 586 | N | 75.3 | Confident | 72.5 | Confident | 43 Ų | 43 | 57.6 Ų | 57.6 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 162.9 | 175 | 69.7 | 62.4 | 0 | 0 | 0 | 112.2 | T565 M588 E589 R590 | T565-N586 PolarHBondContact O-ND2 2.73Å; N586-M588 PolarHBondContact O-N 2.78Å; N586-M588 VanDerWaalsContact O-N 3.13Å; N586-M588 WeakPolarHBondContact OD1-CA 3.48Å; N586-M588 PolarHBondContact OD1-N 3.47Å; N586-E589 WeakPolarHBondContact O-CB 3.46Å; N586-E589 PolarHBondContact O-N 3.4Å; N586-E589 VanDerWaalsContact O-N 3.11Å; N586-E589 PolarHBondContact OD1-N 2.86Å; N586-R590 WeakPolarHBondContact O-CG 3.49Å; N586-R590 PolarHBondContact O-N 2.62Å |
| 587 | D | 75.2 | Confident | 73.1 | Confident | 132 Ų | 132 | 57.7 Ų | 57.7 | 71% | 0.706 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.9 | -26.8 | -175.4 | -62.1 | -43.6 | 0 | 0 | 0 | 114.1 | S591 | D587-S591 VanDerWaalsContact O-CB 3.29Å; D587-S591 WeakPolarHBondContact O-CB 3.33Å; D587-S591 PolarHBondContact O-N 2.88Å |
| 588 | M | 68 | Low | 73.6 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 26% | 0.256 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -83.8 | -30.7 | 178.5 | -170.1 | 163.3 | 172 | 0 | 0 | 112.4 | N537 V558 L564 N586 S591 I592 | N537-M588 WeakPolarHBondContact ND2-CE 3.42Å; V558-M588 HydrophobicContact CG1-CE 3.73Å; V558-M588 HydrophobicContact CG2-CE 4.24Å; L564-M588 HydrophobicContact CD1-CB 4.32Å; L564-M588 HydrophobicContact CD1-CE 4.1Å; L564-M588 HydrophobicContact CD1-CG 3.84Å; L564-M588 HydrophobicContact CD1-SD 3.98Å; L564-M588 HydrophobicContact CD2-CB 3.8Å; L564-M588 HydrophobicContact CD2-CG 3.99Å; L564-M588 HydrophobicContact CD2-SD 3.8Å; L564-M588 HydrophobicContact CG-SD 4.48Å; N586-M588 PolarHBondContact O-N 2.78Å; N586-M588 VanDerWaalsContact O-N 3.13Å; N586-M588 WeakPolarHBondContact OD1-CA 3.48Å; N586-M588 PolarHBondContact OD1-N 3.47Å; M588-S591 PolarHBondContact O-N 3.36Å; M588-I592 HydrophobicContact CE-CD1 4.36Å; M588-I592 HydrophobicContact CG-CD1 4.18Å; M588-I592 VanDerWaalsContact O-CB 3.32Å; M588-I592 WeakPolarHBondContact O-CB 3.17Å; M588-I592 WeakPolarHBondContact O-CD1 3.02Å; M588-I592 WeakPolarHBondContact O-CG1 3.44Å; M588-I592 PolarHBondContact O-N 2.82Å |
| 589 | E | 75.5 | Confident | 73.8 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.3 | -48.1 | 162.8 | 178.8 | 175.9 | -178.6 | 0 | 0 | 109.6 | R566 P585 N586 S591 I592 A593 S678 Y680 F686 | R566-E589 VanDerWaalsContact CG-OE2 3.25Å; R566-E589 WeakPolarHBondContact CG-OE2 3.48Å; R566-E589 IonicContact CZ-OE1 3.28Å; R566-E589 VanDerWaalsContact CZ-OE1 3.28Å; R566-E589 IonicContact CZ-OE2 3.72Å; R566-E589 IonicContact NE-OE1 2.99Å; R566-E589 PolarHBondContact NE-OE1 2.9Å; R566-E589 IonicContact NE-OE2 2.9Å; R566-E589 PolarHBondContact NE-OE2 3.04Å; R566-E589 IonicContact NH2-OE1 2.72Å; R566-E589 PolarHBondContact NH2-OE1 3.22Å; R566-E589 IonicContact NH2-OE2 3.77Å; P585-E589 WeakPolarHBondContact CA-OE2 3.34Å; P585-E589 HydrophobicContact CB-CB 4.27Å; P585-E589 HydrophobicContact CB-CG 4.05Å; P585-E589 VanDerWaalsContact CB-OE2 3.22Å; P585-E589 WeakPolarHBondContact CB-OE2 3.36Å; N586-E589 WeakPolarHBondContact O-CB 3.46Å; N586-E589 PolarHBondContact O-N 3.4Å; N586-E589 VanDerWaalsContact O-N 3.11Å; N586-E589 PolarHBondContact OD1-N 2.86Å; E589-S591 VanDerWaalsContact C-N 3.35Å; E589-S591 PolarHBondContact O-N 3.07Å; E589-I592 PolarHBondContact O-N 3.12Å; E589-A593 WeakPolarHBondContact O-CB 3.5Å; E589-A593 PolarHBondContact O-N 3.46Å; E589-S678 PolarHBondContact OE1-OG 3.38Å; E589-Y680 HydrophobicContact CG-CE2 4.38Å; E589-Y680 WeakPolarHBondContact OE1-CE2 3.3Å; E589-Y680 PolarHBondContact OE1-OH 2.81Å; E589-F686 HydrophobicContact CB-CD1 4.28Å; E589-F686 HydrophobicContact CB-CE1 4.08Å; E589-F686 HydrophobicContact CB-CE2 4.47Å; E589-F686 HydrophobicContact CB-CZ 4.18Å; E589-F686 HydrophobicContact CG-CD1 4.3Å; E589-F686 HydrophobicContact CG-CD2 3.84Å; E589-F686 HydrophobicContact CG-CE1 4.22Å; E589-F686 HydrophobicContact CG-CE2 3.74Å; E589-F686 HydrophobicContact CG-CG 4.12Å; E589-F686 HydrophobicContact CG-CZ 3.94Å |
| 590 | R | 75.7 | Confident | 74.2 | Confident | 84 Ų | 84 | 58.7 Ų | 58.7 | 32% | 0.317 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 176 | -63.1 | 175.7 | -169 | -139.4 | -2.4 | 111.9 | P585 N586 A593 Q594 | P585-R590 HydrophobicContact CB-CG 4.41Å; P585-R590 HydrophobicContact CG-CG 4.39Å; P585-R590 PolarHBondContact O-NE 2.77Å; P585-R590 PolarHBondContact O-NH2 2.85Å; N586-R590 WeakPolarHBondContact O-CG 3.49Å; N586-R590 PolarHBondContact O-N 2.62Å; R590-A593 PolarHBondContact O-N 3.24Å; R590-Q594 WeakPolarHBondContact O-CB 3.26Å; R590-Q594 VanDerWaalsContact O-CG 3.28Å; R590-Q594 WeakPolarHBondContact O-CG 3.26Å; R590-Q594 PolarHBondContact O-N 2.81Å |
| 591 | S | 70.6 | Confident | 74 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 41% | 0.406 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 179.4 | -171.7 | 0 | 0 | 0 | 0 | 113 | D587 M588 E589 R595 | D587-S591 VanDerWaalsContact O-CB 3.29Å; D587-S591 WeakPolarHBondContact O-CB 3.33Å; D587-S591 PolarHBondContact O-N 2.88Å; M588-S591 PolarHBondContact O-N 3.36Å; E589-S591 VanDerWaalsContact C-N 3.35Å; E589-S591 PolarHBondContact O-N 3.07Å; S591-R595 WeakPolarHBondContact O-CB 3.44Å; S591-R595 PolarHBondContact O-N 3.15Å |
| 592 | I | 67.5 | Low | 73.9 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 11% | 0.108 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.2 | -49.3 | 173.3 | -74.3 | 167 | 0 | 0 | 0 | 109.9 | L564 M588 E589 R595 F596 I684 F686 | L564-I592 HydrophobicContact CD1-CD1 3.96Å; M588-I592 HydrophobicContact CE-CD1 4.36Å; M588-I592 HydrophobicContact CG-CD1 4.18Å; M588-I592 VanDerWaalsContact O-CB 3.32Å; M588-I592 WeakPolarHBondContact O-CB 3.17Å; M588-I592 WeakPolarHBondContact O-CD1 3.02Å; M588-I592 WeakPolarHBondContact O-CG1 3.44Å; M588-I592 PolarHBondContact O-N 2.82Å; E589-I592 PolarHBondContact O-N 3.12Å; I592-R595 PolarHBondContact O-N 2.91Å; I592-F596 HydrophobicContact CG2-CD2 3.89Å; I592-F596 HydrophobicContact CG2-CE2 4.05Å; I592-F596 WeakPolarHBondContact O-CD2 3.39Å; I592-F596 PolarHBondContact O-N 2.83Å; I592-F596 VanDerWaalsContact O-N 3.13Å; I592-I684 HydrophobicContact CG2-CD1 4.5Å; I592-F686 HydrophobicContact CD1-CE1 4.46Å; I592-F686 HydrophobicContact CD1-CZ 4.31Å; I592-F686 HydrophobicContact CG2-CZ 4.34Å |
| 593 | A | 70.8 | Confident | 73.9 | Confident | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.033 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.5 | -53.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E589 R590 R595 F596 G597 Y598 F624 Y680 | E589-A593 WeakPolarHBondContact O-CB 3.5Å; E589-A593 PolarHBondContact O-N 3.46Å; R590-A593 PolarHBondContact O-N 3.24Å; A593-R595 VanDerWaalsContact C-N 3.33Å; A593-R595 PolarHBondContact O-N 3.22Å; A593-F596 PolarHBondContact O-N 2.91Å; A593-G597 PolarHBondContact O-N 2.84Å; A593-G597 VanDerWaalsContact O-N 3.1Å; A593-Y598 CarbonylContact C-O 3.58Å; A593-Y598 WeakPolarHBondContact CA-O 3.43Å; A593-Y598 WeakPolarHBondContact CB-O 3.16Å; A593-Y598 PolarHBondContact O-N 3.05Å; A593-Y598 VanDerWaalsContact O-O 3.09Å; A593-F624 HydrophobicContact CB-CE1 4.25Å; A593-F624 HydrophobicContact CB-CZ 4.14Å; A593-Y680 HydrophobicContact CB-CE1 4.06Å |
| 594 | Q | 72.6 | Confident | 73.8 | Confident | 132 Ų | 132 | 57 Ų | 57 | 62% | 0.617 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -54.4 | -44.8 | 174.1 | -76.7 | 176.2 | -15 | 0 | 0 | 112.8 | R590 F596 G597 | R590-Q594 WeakPolarHBondContact O-CB 3.26Å; R590-Q594 VanDerWaalsContact O-CG 3.28Å; R590-Q594 WeakPolarHBondContact O-CG 3.26Å; R590-Q594 PolarHBondContact O-N 2.81Å; Q594-F596 VanDerWaalsContact C-N 3.28Å; Q594-F596 PolarHBondContact O-N 2.83Å; Q594-G597 PolarHBondContact O-N 2.85Å |
| 595 | R | 65.9 | Low | 73.9 | Confident | 166 Ų | 166 | 56.4 Ų | 56.4 | 63% | 0.626 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -73.8 | -17.6 | -174.4 | -163.9 | 167.3 | -163.8 | 145.6 | 4.9 | 114 | S591 I592 A593 | S591-R595 WeakPolarHBondContact O-CB 3.44Å; S591-R595 PolarHBondContact O-N 3.15Å; I592-R595 PolarHBondContact O-N 2.91Å; A593-R595 VanDerWaalsContact C-N 3.33Å; A593-R595 PolarHBondContact O-N 3.22Å |
| 596 | F | 64.5 | Low | 74.2 | Confident | 35 Ų | 35 | 56.3 Ų | 56.3 | 15% | 0.154 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 7.4 | 172.3 | -63.8 | -59.4 | 0 | 0 | 0 | 113.5 | L457 L473 F556 I592 A593 Q594 Y598 | L457-F596 HydrophobicContact CB-CD1 4.37Å; L457-F596 HydrophobicContact CB-CE1 4.37Å; L457-F596 HydrophobicContact CD1-CD1 3.85Å; L457-F596 HydrophobicContact CD1-CD2 3.88Å; L457-F596 HydrophobicContact CD1-CE1 3.55Å; L457-F596 HydrophobicContact CD1-CE2 3.58Å; L457-F596 HydrophobicContact CD1-CG 4.02Å; L457-F596 HydrophobicContact CD1-CZ 3.41Å; L457-F596 VanDerWaalsContact CD1-CZ 3.41Å; L473-F596 HydrophobicContact CD1-CE2 4.46Å; F556-F596 HydrophobicContact CD1-CZ 4.44Å; F556-F596 HydrophobicContact CD2-CE1 4.25Å; F556-F596 HydrophobicContact CD2-CZ 4.12Å; F556-F596 HydrophobicContact CE2-CE1 4.12Å; F556-F596 HydrophobicContact CE2-CZ 4.38Å; F556-F596 HydrophobicContact CG-CZ 4.17Å; F556-F596 HydrophobicContact CZ-CE1 4.44Å; I592-F596 HydrophobicContact CG2-CD2 3.89Å; I592-F596 HydrophobicContact CG2-CE2 4.05Å; I592-F596 WeakPolarHBondContact O-CD2 3.39Å; I592-F596 PolarHBondContact O-N 2.83Å; I592-F596 VanDerWaalsContact O-N 3.13Å; A593-F596 PolarHBondContact O-N 2.91Å; Q594-F596 VanDerWaalsContact C-N 3.28Å; Q594-F596 PolarHBondContact O-N 2.83Å; F596-Y598 VanDerWaalsContact C-N 3.33Å; F596-Y598 HydrophobicContact CB-CD2 3.77Å; F596-Y598 HydrophobicContact CB-CE2 3.97Å; F596-Y598 VanDerWaalsContact O-CD2 3.25Å; F596-Y598 WeakPolarHBondContact O-CD2 2.78Å; F596-Y598 WeakPolarHBondContact O-CE2 3.3Å; F596-Y598 PolarHBondContact O-N 3.25Å |
| 597 | G | 66.5 | Low | 74.7 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 52% | 0.515 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 4.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | A593 Q594 | A593-G597 PolarHBondContact O-N 2.84Å; A593-G597 VanDerWaalsContact O-N 3.1Å; Q594-G597 PolarHBondContact O-N 2.85Å |
| 598 | Y | 71.2 | Confident | 75 | Confident | 64 Ų | 64 | 49.6 Ų | 49.6 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | trans | -89.3 | 119.2 | 178.5 | -61.8 | -81.7 | 0 | 0 | 0 | 110 | A593 F596 Y680 E681 I682 | A593-Y598 CarbonylContact C-O 3.58Å; A593-Y598 WeakPolarHBondContact CA-O 3.43Å; A593-Y598 WeakPolarHBondContact CB-O 3.16Å; A593-Y598 PolarHBondContact O-N 3.05Å; A593-Y598 VanDerWaalsContact O-O 3.09Å; F596-Y598 VanDerWaalsContact C-N 3.33Å; F596-Y598 HydrophobicContact CB-CD2 3.77Å; F596-Y598 HydrophobicContact CB-CE2 3.97Å; F596-Y598 VanDerWaalsContact O-CD2 3.25Å; F596-Y598 WeakPolarHBondContact O-CD2 2.78Å; F596-Y598 WeakPolarHBondContact O-CE2 3.3Å; F596-Y598 PolarHBondContact O-N 3.25Å; Y598-Y680 HydrophobicContact CG-CD1 4.41Å; Y598-E681 HydrophobicContact CE1-CB 4.16Å; Y598-I682 HydrophobicContact CD2-CD1 4Å; Y598-I682 HydrophobicContact CE1-CG2 4.37Å; Y598-I682 HydrophobicContact CE2-CD1 3.89Å; Y598-I682 HydrophobicContact CE2-CG1 4.29Å; Y598-I682 HydrophobicContact CE2-CG2 3.82Å; Y598-I682 VanDerWaalsContact OH-CG2 3.28Å; Y598-I682 WeakPolarHBondContact OH-CG2 3.49Å | ||
| 599 | H | 69.4 | Low | 75.7 | Confident | 125 Ų | 125 | 47.8 Ų | 47.8 | 58% | 0.579 | 23% | 0.232 | S | C | * | . | trans | -93.9 | -8.2 | -177.6 | -66.3 | -59.7 | 0 | 0 | 0 | 114.5 | F624 | H599-F624 WeakPolarHBondContact O-CD2 3.35Å; H599-F624 WeakPolarHBondContact O-CE2 2.97Å; H599-F624 WeakPolarHBondContact O-CZ 3.33Å | ||
| 600 | Y | 76 | Confident | 75.6 | Confident | 85 Ų | 85 | 48.3 Ų | 48.3 | 33% | 0.333 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -163.5 | 157.2 | -179.5 | 40.6 | -99.7 | 0 | 0 | 0 | 110.6 | K622 Y680 | Y600-K622 HydrophobicContact CD1-CB 4.2Å; Y600-K622 HydrophobicContact CD2-CB 4.02Å; Y600-K622 HydrophobicContact CD2-CD 4.38Å; Y600-K622 HydrophobicContact CD2-CG 3.92Å; Y600-K622 HydrophobicContact CE1-CB 4.27Å; Y600-K622 HydrophobicContact CE1-CD 4.42Å; Y600-K622 HydrophobicContact CE2-CB 4.09Å; Y600-K622 HydrophobicContact CE2-CD 3.64Å; Y600-K622 HydrophobicContact CE2-CG 3.69Å; Y600-K622 HydrophobicContact CG-CB 4.08Å; Y600-K622 HydrophobicContact CG-CG 4.49Å; Y600-K622 PolarHBondContact OH-NZ 3.33Å; Y600-Y680 VanDerWaalsContact C-CE1 3.47Å; Y600-Y680 WeakPolarHBondContact O-CD1 3.32Å; Y600-Y680 WeakPolarHBondContact O-CE1 3Å |
| 601 | P | 74.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -72.6 | 159.2 | 167.5 | 33 | -36.2 | 0 | 0 | 0 | 111.3 | V604 H626 Y680 | P601-V604 HydrophobicContact CG-CG2 4.09Å; P601-H626 WeakPolarHBondContact CG-CE1 3.33Å; P601-Y680 HydrophobicContact CB-CD2 4.3Å; P601-Y680 HydrophobicContact CB-CE1 4.4Å; P601-Y680 HydrophobicContact CB-CE2 4.07Å | ||
| 602 | N | 80.2 | Confident | 75.1 | Confident | 65 Ų | 65 | 51.2 Ų | 51.2 | 35% | 0.348 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -76.6 | -38.1 | 174.2 | -98.6 | 16.7 | 0 | 0 | 0 | 112.8 | V679 E681 | N602-V679 PolarHBondContact N-O 3.14Å; N602-E681 VanDerWaalsContact CG-CG 3.49Å; N602-E681 WeakPolarHBondContact ND2-CG 3.44Å; N602-E681 WeakPolarHBondContact OD1-CG 3.17Å |
| 603 | H | 84.1 | Confident | 75.3 | Confident | 49 Ų | 49 | 55.4 Ų | 55.4 | 23% | 0.227 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 156.6 | 174.6 | 58.9 | -92.8 | 0 | 0 | 0 | 111.9 | T618 T619 Y620 S678 V679 | H603-T618 HydrophobicContact CB-CG2 3.84Å; H603-T619 CarbonylContact C-O 3.58Å; H603-T619 VanDerWaalsContact CA-O 3.31Å; H603-T619 WeakPolarHBondContact CA-O 3.24Å; H603-Y620 HydrophobicContact CB-CD1 3.63Å; H603-Y620 HydrophobicContact CB-CE1 3.64Å; H603-Y620 HydrophobicContact CB-CG 4.32Å; H603-S678 WeakPolarHBondContact O-CA 3.31Å; H603-V679 PolarHBondContact N-O 3.39Å; H603-V679 WeakPolarHBondContact NE2-CG2 3.44Å; H603-V679 PolarHBondContact O-N 3.45Å |
| 604 | V | 82.5 | Confident | 75.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118 | 170.2 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | C583 P601 T619 H626 C676 S677 | C583-V604 HydrophobicContact CB-CG1 4.39Å; P601-V604 HydrophobicContact CG-CG2 4.09Å; V604-T619 PolarHBondContact N-O 3.33Å; V604-T619 PolarHBondContact O-N 3.28Å; V604-T619 PolarHBondContact O-OG1 2.76Å; V604-H626 HydrophobicContact CB-CB 4.25Å; V604-H626 HydrophobicContact CG1-CB 4.36Å; V604-H626 HydrophobicContact CG2-CB 4.26Å; V604-H626 WeakPolarHBondContact CG2-ND1 3Å; V604-C676 HydrophobicContact CG1-CB 3.95Å; V604-S677 CarbonylContact C-O 3.44Å; V604-S677 VanDerWaalsContact CA-O 3.26Å; V604-S677 WeakPolarHBondContact CA-O 3.39Å |
| 605 | T | 86.1 | Confident | 75.5 | Confident | 18 Ų | 18 | 55.8 Ų | 55.8 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 114.4 | 175.7 | -51.9 | 0 | 0 | 0 | 0 | 109.7 | F607 T618 C676 S677 | T605-F607 HydrophobicContact CG2-CD2 4.22Å; T605-F607 HydrophobicContact CG2-CE1 4.21Å; T605-F607 HydrophobicContact CG2-CE2 3.6Å; T605-F607 HydrophobicContact CG2-CZ 3.6Å; T605-F607 WeakPolarHBondContact O-CD2 3.23Å; T605-F607 WeakPolarHBondContact O-CE2 3.29Å; T605-T618 PolarHBondContact OG1-OG1 2.71Å; T605-C676 CarbonylContact O-C 3.55Å; T605-C676 WeakPolarHBondContact O-CA 3.35Å; T605-S677 PolarHBondContact N-O 3.24Å; T605-S677 PolarHBondContact O-N 2.83Å |
| 606 | W | 85.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 145 | 169.3 | -60.2 | 81.9 | 0 | 0 | 0 | 109.5 | V568 L581 C583 N616 Y617 T619 H626 F628 V674 R675 C676 | V568-W606 HydrophobicContact CG1-CZ3 4.25Å; V568-W606 HydrophobicContact CG2-CZ3 4.46Å; L581-W606 HydrophobicContact CB-CH2 3.93Å; L581-W606 HydrophobicContact CB-CZ3 3.84Å; L581-W606 HydrophobicContact CD1-CZ3 4.36Å; C583-W606 HydrophobicContact CB-CH2 3.54Å; C583-W606 HydrophobicContact CB-CZ2 3.54Å; C583-W606 HydrophobicContact CB-CZ3 4.25Å; W606-N616 CarbonylContact O-C 3.59Å; W606-N616 WeakPolarHBondContact O-CA 3.49Å; W606-Y617 PolarHBondContact N-O 3.43Å; W606-Y617 PolarHBondContact O-N 2.89Å; W606-T619 PolarHBondContact NE1-OG1 2.88Å; W606-H626 HydrophobicContact CZ2-CB 4.28Å; W606-H626 WeakPolarHBondContact CZ2-O 3Å; W606-F628 HydrophobicContact CB-CD2 4.35Å; W606-F628 AromaticContact CD1-CD2 3.88Å; W606-F628 HydrophobicContact CD2-CB 3.83Å; W606-F628 HydrophobicContact CD2-CD2 4.23Å; W606-F628 HydrophobicContact CD2-CG 4.21Å; W606-F628 HydrophobicContact CE3-CB 4.1Å; W606-F628 HydrophobicContact CG-CB 4.4Å; W606-F628 AromaticContact CG-CD2 3.91Å; W606-F628 HydrophobicContact CG-CD2 3.91Å; W606-F628 HydrophobicContact CG-CG 4.34Å; W606-F628 HydrophobicContact CH2-CB 3.93Å; W606-F628 HydrophobicContact CZ2-CB 3.68Å; W606-F628 HydrophobicContact CZ3-CB 4.16Å; W606-V674 HydrophobicContact CE3-CG1 3.76Å; W606-V674 HydrophobicContact CZ3-CG1 4.11Å; W606-R675 CarbonylContact C-O 3.5Å; W606-R675 WeakPolarHBondContact CA-O 3.43Å; W606-C676 HydrophobicContact CD2-CB 4.11Å; W606-C676 HydrophobicContact CE3-CB 4Å; W606-C676 HydrophobicContact CZ3-CB 4.32Å |
| 607 | F | 85.7 | Confident | 76.9 | Confident | 32 Ų | 32 | 53.3 Ų | 53.3 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 127 | 172.5 | -53.5 | -109 | 0 | 0 | 0 | 106.9 | T605 Q615 N616 V674 R675 | T605-F607 HydrophobicContact CG2-CD2 4.22Å; T605-F607 HydrophobicContact CG2-CE1 4.21Å; T605-F607 HydrophobicContact CG2-CE2 3.6Å; T605-F607 HydrophobicContact CG2-CZ 3.6Å; T605-F607 WeakPolarHBondContact O-CD2 3.23Å; T605-F607 WeakPolarHBondContact O-CE2 3.29Å; F607-Q615 CarbonylContact C-O 3.54Å; F607-Q615 VanDerWaalsContact CA-O 3.32Å; F607-Q615 WeakPolarHBondContact CA-O 3.48Å; F607-N616 HydrophobicContact CD1-CB 4.19Å; F607-N616 WeakPolarHBondContact CD1-OD1 3.48Å; F607-N616 HydrophobicContact CE1-CB 4.39Å; F607-V674 WeakPolarHBondContact O-CA 3.44Å; F607-R675 HydrophobicContact CB-CG 3.76Å; F607-R675 HydrophobicContact CD2-CG 4.18Å; F607-R675 VanDerWaalsContact CE2-NH1 3.26Å; F607-R675 HydrophobicContact CG-CG 4.29Å; F607-R675 VanDerWaalsContact CG-NH1 3.34Å; F607-R675 VanDerWaalsContact CG-NH2 3.34Å; F607-R675 PolarHBondContact N-O 2.82Å; F607-R675 PolarHBondContact O-N 3.22Å |
| 608 | I | 82.4 | Confident | 77.6 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 122.3 | -170.7 | -58.7 | 179.9 | 0 | 0 | 0 | 107.2 | I614 Q615 Y617 F628 L644 L672 C673 V674 | I608-I614 CarbonylContact O-C 3.51Å; I608-I614 WeakPolarHBondContact O-CA 3.37Å; I608-Q615 PolarHBondContact N-O 2.81Å; I608-Q615 PolarHBondContact O-N 2.74Å; I608-Y617 HydrophobicContact CD1-CD2 4.16Å; I608-Y617 HydrophobicContact CD1-CE2 4.44Å; I608-F628 HydrophobicContact CD1-CD1 4.13Å; I608-F628 HydrophobicContact CD1-CE1 3.52Å; I608-F628 HydrophobicContact CD1-CE2 4.49Å; I608-F628 HydrophobicContact CD1-CZ 3.72Å; I608-L644 HydrophobicContact CD1-CD1 4.26Å; I608-L644 HydrophobicContact CD1-CD2 3.98Å; I608-L672 HydrophobicContact CG2-CD1 3.6Å; I608-C673 CarbonylContact C-O 3.43Å; I608-C673 WeakPolarHBondContact CA-O 3.45Å; I608-V674 HydrophobicContact CG1-CG1 4.3Å; I608-V674 HydrophobicContact CG1-CG2 4.29Å; I608-V674 HydrophobicContact CG2-CG2 4.39Å |
| 609 | S | 80.9 | Confident | 77.7 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.3 | -180 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | H613 L672 C673 | S609-H613 WeakPolarHBondContact CA-O 3.17Å; S609-L672 WeakPolarHBondContact O-CA 3.11Å; S609-C673 PolarHBondContact N-O 2.83Å; S609-C673 PolarHBondContact O-N 2.71Å |
| 610 | M | 74.8 | Confident | 78 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 5% | 0.054 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 113.6 | 174.2 | -68.1 | -175.7 | -67 | 0 | 0 | 108.6 | N612 H613 I642 L665 P669 L672 | M610-N612 PolarHBondContact O-N 2.74Å; M610-N612 VanDerWaalsContact O-N 3.12Å; M610-H613 PolarHBondContact N-O 2.93Å; M610-H613 WeakPolarHBondContact O-CB 3.45Å; M610-H613 PolarHBondContact O-N 2.88Å; M610-I642 HydrophobicContact SD-CD1 4.32Å; M610-L665 HydrophobicContact CB-CD1 4.02Å; M610-L665 HydrophobicContact CE-CD1 4.05Å; M610-L665 HydrophobicContact SD-CD1 4.38Å; M610-P669 HydrophobicContact CB-CB 4.08Å; M610-P669 HydrophobicContact CB-CG 4.42Å; M610-P669 HydrophobicContact CG-CG 4.46Å; M610-P669 HydrophobicContact SD-CG 4.22Å; M610-L672 HydrophobicContact CG-CD1 3.52Å; M610-L672 HydrophobicContact SD-CD1 4.17Å |
| 611 | D | 68.1 | Low | 77.6 | Confident | 53 Ų | 53 | 53.4 Ų | 53.4 | 28% | 0.283 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44.2 | 45 | -177.4 | -71.6 | 8.3 | 0 | 0 | 0 | 114.2 | K670 Q671 | D611-K670 PolarHBondContact OD1-N 2.8Å; D611-K670 WeakPolarHBondContact OD2-CG 3.09Å; D611-K670 PolarHBondContact OD2-N 2.84Å; D611-Q671 PolarHBondContact N-O 3.31Å; D611-Q671 PolarHBondContact OD1-N 3.22Å |
| 612 | N | 67.4 | Low | 77.3 | Confident | 150 Ų | 150 | 60 Ų | 60 | 80% | 0.802 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -3.4 | -175.8 | -48.3 | -66.1 | 0 | 0 | 0 | 117.4 | M610 I614 | M610-N612 PolarHBondContact O-N 2.74Å; M610-N612 VanDerWaalsContact O-N 3.12Å; N612-I614 PolarHBondContact O-N 2.95Å |
| 613 | H | 70.9 | Confident | 76.9 | Confident | 109 Ų | 109 | 59.5 Ų | 59.5 | 51% | 0.505 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 107.9 | 170.1 | -72.9 | -83.2 | 0 | 0 | 0 | 111 | S609 M610 | S609-H613 WeakPolarHBondContact CA-O 3.17Å; M610-H613 PolarHBondContact N-O 2.93Å; M610-H613 WeakPolarHBondContact O-CB 3.45Å; M610-H613 PolarHBondContact O-N 2.88Å |
| 614 | I | 72.3 | Confident | 76 | Confident | 99 Ų | 99 | 59.7 Ų | 59.7 | 51% | 0.508 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128.1 | -179.2 | -50.8 | 177 | 0 | 0 | 0 | 110.9 | I608 N612 | I608-I614 CarbonylContact O-C 3.51Å; I608-I614 WeakPolarHBondContact O-CA 3.37Å; N612-I614 PolarHBondContact O-N 2.95Å |
| 615 | Q | 76.2 | Confident | 75.3 | Confident | 45 Ų | 45 | 64 Ų | 64 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 153.2 | 168.7 | -66.2 | -174.9 | -65.9 | 0 | 0 | 111.4 | F607 I608 Y617 L663 | F607-Q615 CarbonylContact C-O 3.54Å; F607-Q615 VanDerWaalsContact CA-O 3.32Å; F607-Q615 WeakPolarHBondContact CA-O 3.48Å; I608-Q615 PolarHBondContact N-O 2.81Å; I608-Q615 PolarHBondContact O-N 2.74Å; Q615-Y617 HydrophobicContact CB-CE2 3.75Å; Q615-Y617 PolarHBondContact OE1-OH 2.95Å; Q615-L663 HydrophobicContact CG-CD1 3.81Å |
| 616 | N | 79.9 | Confident | 74.8 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 55% | 0.551 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 133.5 | -174.7 | -50.2 | -12.7 | 0 | 0 | 0 | 110.2 | W606 F607 | W606-N616 CarbonylContact O-C 3.59Å; W606-N616 WeakPolarHBondContact O-CA 3.49Å; F607-N616 HydrophobicContact CD1-CB 4.19Å; F607-N616 WeakPolarHBondContact CD1-OD1 3.48Å; F607-N616 HydrophobicContact CE1-CB 4.39Å |
| 617 | Y | 80.2 | Confident | 74.3 | Confident | 46 Ų | 46 | 67.2 Ų | 67.2 | 18% | 0.18 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 108.9 | -179 | -66.7 | -89 | 0 | 0 | 0 | 111.5 | W606 I608 Q615 F628 L644 | W606-Y617 PolarHBondContact N-O 3.43Å; W606-Y617 PolarHBondContact O-N 2.89Å; I608-Y617 HydrophobicContact CD1-CD2 4.16Å; I608-Y617 HydrophobicContact CD1-CE2 4.44Å; Q615-Y617 HydrophobicContact CB-CE2 3.75Å; Q615-Y617 PolarHBondContact OE1-OH 2.95Å; Y617-F628 HydrophobicContact CD1-CE2 4.41Å; Y617-F628 HydrophobicContact CD1-CZ 4.45Å; Y617-F628 HydrophobicContact CD2-CE2 4.39Å; Y617-F628 HydrophobicContact CD2-CZ 4.17Å; Y617-F628 AromaticContact CG-CE2 3.93Å; Y617-F628 HydrophobicContact CG-CE2 3.93Å; Y617-F628 HydrophobicContact CG-CZ 4.06Å; Y617-L644 HydrophobicContact CE1-CB 4.49Å; Y617-L644 HydrophobicContact CE2-CB 4.43Å; Y617-L644 HydrophobicContact CE2-CD1 3.62Å; Y617-L644 WeakPolarHBondContact OH-CD1 3.39Å |
| 618 | T | 79.7 | Confident | 73.8 | Confident | 47 Ų | 47 | 66 Ų | 66 | 29% | 0.288 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 139.3 | 177.3 | -48.8 | 0 | 0 | 0 | 0 | 111.5 | H603 T605 Y620 Q646 | H603-T618 HydrophobicContact CB-CG2 3.84Å; T605-T618 PolarHBondContact OG1-OG1 2.71Å; T618-Y620 HydrophobicContact CG2-CD2 4.4Å; T618-Y620 HydrophobicContact CG2-CE1 4.35Å; T618-Y620 HydrophobicContact CG2-CE2 3.74Å; T618-Q646 PolarHBondContact O-NE2 3.4Å |
| 619 | T | 74.5 | Confident | 73.4 | Confident | 26 Ų | 26 | 68 Ų | 68 | 16% | 0.16 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.2 | 178.4 | 54.4 | 0 | 0 | 0 | 0 | 110.6 | H603 V604 W606 H626 | H603-T619 CarbonylContact C-O 3.58Å; H603-T619 VanDerWaalsContact CA-O 3.31Å; H603-T619 WeakPolarHBondContact CA-O 3.24Å; V604-T619 PolarHBondContact N-O 3.33Å; V604-T619 PolarHBondContact O-N 3.28Å; V604-T619 PolarHBondContact O-OG1 2.76Å; W606-T619 PolarHBondContact NE1-OG1 2.88Å; T619-H626 PolarHBondContact OG1-CD2 3.29Å |
| 620 | Y | 75.2 | Confident | 72.9 | Confident | 166 Ų | 166 | 67.4 Ų | 67.4 | 65% | 0.651 | 33% | 0.329 | S | S | * | . | trans | -113.7 | 95.4 | -176.8 | -61 | -91.6 | 0 | 0 | 0 | 108.9 | H603 T618 | H603-Y620 HydrophobicContact CB-CD1 3.63Å; H603-Y620 HydrophobicContact CB-CE1 3.64Å; H603-Y620 HydrophobicContact CB-CG 4.32Å; T618-Y620 HydrophobicContact CG2-CD2 4.4Å; T618-Y620 HydrophobicContact CG2-CE1 4.35Å; T618-Y620 HydrophobicContact CG2-CE2 3.74Å | ||
| 621 | N | 68.3 | Low | 72.5 | Confident | 86 Ų | 86 | 68.6 Ų | 68.6 | 46% | 0.46 | 34% | 0.335 | S | S | . | . | trans | -141 | 141 | 178.5 | -166.3 | 3.3 | 0 | 0 | 0 | 109.7 | T623 H626 | N621-T623 PolarHBondContact ND2-OG1 3.12Å; N621-T623 PolarHBondContact O-N 3.12Å; N621-T623 VanDerWaalsContact O-N 3.16Å; N621-H626 WeakPolarHBondContact CA-NE2 3.13Å; N621-H626 VanDerWaalsContact CB-NE2 3.32Å; N621-H626 WeakPolarHBondContact CB-NE2 3.27Å; N621-H626 PolarHBondContact N-NE2 3.13Å; N621-H626 PolarHBondContact O-CE1 2.92Å; N621-H626 PolarHBondContact O-NE2 2.97Å | ||
| 622 | K | 67.8 | Low | 72 | Confident | 140 Ų | 140 | 67 Ų | 67 | 61% | 0.609 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -89.2 | 43.4 | -176.4 | -68.2 | -169.7 | 163 | -153.7 | 0 | 112.1 | Y600 | Y600-K622 HydrophobicContact CD1-CB 4.2Å; Y600-K622 HydrophobicContact CD2-CB 4.02Å; Y600-K622 HydrophobicContact CD2-CD 4.38Å; Y600-K622 HydrophobicContact CD2-CG 3.92Å; Y600-K622 HydrophobicContact CE1-CB 4.27Å; Y600-K622 HydrophobicContact CE1-CD 4.42Å; Y600-K622 HydrophobicContact CE2-CB 4.09Å; Y600-K622 HydrophobicContact CE2-CD 3.64Å; Y600-K622 HydrophobicContact CE2-CG 3.69Å; Y600-K622 HydrophobicContact CG-CB 4.08Å; Y600-K622 HydrophobicContact CG-CG 4.49Å; Y600-K622 PolarHBondContact OH-NZ 3.33Å |
| 623 | T | 71.3 | Confident | 71.4 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -118.7 | 153.2 | 178.8 | 52.1 | 0 | 0 | 0 | 0 | 109.8 | N621 E625 H626 | N621-T623 PolarHBondContact ND2-OG1 3.12Å; N621-T623 PolarHBondContact O-N 3.12Å; N621-T623 VanDerWaalsContact O-N 3.16Å; T623-E625 WeakPolarHBondContact CB-O 3.12Å; T623-E625 PolarHBondContact OG1-O 3.47Å; T623-H626 PolarHBondContact O-CE1 3.05Å; T623-H626 PolarHBondContact O-ND1 3.42Å |
| 624 | F | 65.6 | Low | 70.5 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -70.9 | -39.2 | 172.7 | -98.4 | -58.4 | 0 | 0 | 0 | 111.5 | R566 P585 A593 H599 | R566-F624 PolarHBondContact NH1-O 3.37Å; P585-F624 HydrophobicContact CB-CD1 4.21Å; P585-F624 WeakPolarHBondContact CD-O 3.37Å; P585-F624 HydrophobicContact CG-CB 3.91Å; P585-F624 HydrophobicContact CG-CD1 3.67Å; P585-F624 HydrophobicContact CG-CG 4.09Å; A593-F624 HydrophobicContact CB-CE1 4.25Å; A593-F624 HydrophobicContact CB-CZ 4.14Å; H599-F624 WeakPolarHBondContact O-CD2 3.35Å; H599-F624 WeakPolarHBondContact O-CE2 2.97Å; H599-F624 WeakPolarHBondContact O-CZ 3.33Å |
| 625 | E | 68 | Low | 69.2 | Low | 90 Ų | 90 | 64.8 Ų | 64.8 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -93.8 | 125.8 | 175.6 | -67.8 | 168.9 | -156.6 | 0 | 0 | 109.9 | I584 T623 | I584-E625 HydrophobicContact CG1-CG 4.41Å; T623-E625 WeakPolarHBondContact CB-O 3.12Å; T623-E625 PolarHBondContact OG1-O 3.47Å |
| 626 | H | 75 | Confident | 67.8 | Low | 3 Ų | 3 | 69.2 Ų | 69.2 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 141.7 | 171.7 | -73.4 | 60.3 | 0 | 0 | 0 | 109.3 | H582 C583 P601 V604 W606 T619 N621 T623 | H582-H626 WeakPolarHBondContact CA-O 3.48Å; C583-H626 HydrophobicContact CB-CB 4.45Å; C583-H626 PolarHBondContact N-O 3.03Å; P601-H626 WeakPolarHBondContact CG-CE1 3.33Å; V604-H626 HydrophobicContact CB-CB 4.25Å; V604-H626 HydrophobicContact CG1-CB 4.36Å; V604-H626 HydrophobicContact CG2-CB 4.26Å; V604-H626 WeakPolarHBondContact CG2-ND1 3Å; W606-H626 HydrophobicContact CZ2-CB 4.28Å; W606-H626 WeakPolarHBondContact CZ2-O 3Å; T619-H626 PolarHBondContact OG1-CD2 3.29Å; N621-H626 WeakPolarHBondContact CA-NE2 3.13Å; N621-H626 VanDerWaalsContact CB-NE2 3.32Å; N621-H626 WeakPolarHBondContact CB-NE2 3.27Å; N621-H626 PolarHBondContact N-NE2 3.13Å; N621-H626 PolarHBondContact O-CE1 2.92Å; N621-H626 PolarHBondContact O-NE2 2.97Å; T623-H626 PolarHBondContact O-CE1 3.05Å; T623-H626 PolarHBondContact O-ND1 3.42Å |
| 627 | I | 76.4 | Confident | 66.1 | Low | 83 Ų | 83 | 69.2 Ų | 69.2 | 43% | 0.426 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 137.5 | -178.5 | -56.9 | 177.9 | 0 | 0 | 0 | 109.6 | Y580 L581 | Y580-I627 HydrophobicContact CD1-CG2 3.81Å; Y580-I627 HydrophobicContact CG-CG2 4.26Å; L581-I627 CarbonylContact O-C 3.58Å; L581-I627 VanDerWaalsContact O-CA 3.25Å; L581-I627 WeakPolarHBondContact O-CA 3.49Å |
| 628 | F | 75 | Confident | 64.4 | Low | 7 Ų | 7 | 73.1 Ų | 73.1 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.7 | 174.6 | -168.8 | -82.5 | 0 | 0 | 0 | 111.2 | Y580 L581 W606 I608 Y617 L644 | Y580-F628 CarbonylContact C-O 3.52Å; Y580-F628 WeakPolarHBondContact CA-O 3.4Å; L581-F628 HydrophobicContact CB-CB 4.41Å; L581-F628 PolarHBondContact N-O 3.29Å; L581-F628 PolarHBondContact O-N 2.85Å; W606-F628 HydrophobicContact CB-CD2 4.35Å; W606-F628 AromaticContact CD1-CD2 3.88Å; W606-F628 HydrophobicContact CD2-CB 3.83Å; W606-F628 HydrophobicContact CD2-CD2 4.23Å; W606-F628 HydrophobicContact CD2-CG 4.21Å; W606-F628 HydrophobicContact CE3-CB 4.1Å; W606-F628 HydrophobicContact CG-CB 4.4Å; W606-F628 AromaticContact CG-CD2 3.91Å; W606-F628 HydrophobicContact CG-CD2 3.91Å; W606-F628 HydrophobicContact CG-CG 4.34Å; W606-F628 HydrophobicContact CH2-CB 3.93Å; W606-F628 HydrophobicContact CZ2-CB 3.68Å; W606-F628 HydrophobicContact CZ3-CB 4.16Å; I608-F628 HydrophobicContact CD1-CD1 4.13Å; I608-F628 HydrophobicContact CD1-CE1 3.52Å; I608-F628 HydrophobicContact CD1-CE2 4.49Å; I608-F628 HydrophobicContact CD1-CZ 3.72Å; Y617-F628 HydrophobicContact CD1-CE2 4.41Å; Y617-F628 HydrophobicContact CD1-CZ 4.45Å; Y617-F628 HydrophobicContact CD2-CE2 4.39Å; Y617-F628 HydrophobicContact CD2-CZ 4.17Å; Y617-F628 AromaticContact CG-CE2 3.93Å; Y617-F628 HydrophobicContact CG-CE2 3.93Å; Y617-F628 HydrophobicContact CG-CZ 4.06Å; F628-L644 HydrophobicContact CE1-CB 4.46Å; F628-L644 HydrophobicContact CE1-CD2 3.9Å; F628-L644 HydrophobicContact CZ-CB 4.27Å; F628-L644 HydrophobicContact CZ-CD2 4.41Å |
| 629 | K | 73.7 | Confident | 62.6 | Low | 44 Ų | 44 | 78 Ų | 78 | 19% | 0.191 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.6 | -170 | 174.4 | 170.5 | 164.3 | 156.4 | 0 | 112.3 | Q578 Y580 I631 T647 | Q578-K629 HydrophobicContact CG-CD 4.44Å; Q578-K629 HydrophobicContact CG-CG 4.14Å; Y580-K629 HydrophobicContact CD1-CB 4.37Å; Y580-K629 HydrophobicContact CE1-CD 4.22Å; Y580-K629 HydrophobicContact CE1-CG 4.45Å; K629-I631 HydrophobicContact CG-CG1 4.09Å; K629-T647 HydrophobicContact CB-CG2 4.03Å; K629-T647 HydrophobicContact CD-CG2 3.66Å; K629-T647 HydrophobicContact CG-CG2 4.5Å |
| 630 | L | 70.6 | Confident | 61.2 | Low | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 133 | 171.4 | -87.7 | 161.1 | 0 | 0 | 0 | 110.2 | Q578 S579 L581 I642 L644 L672 | Q578-L630 WeakPolarHBondContact CA-O 3.45Å; Q578-L630 VanDerWaalsContact CG-O 3.31Å; Q578-L630 WeakPolarHBondContact CG-O 3.38Å; S579-L630 PolarHBondContact N-O 3.34Å; S579-L630 PolarHBondContact O-N 3.24Å; S579-L630 WeakPolarHBondContact OG-CB 3.11Å; L581-L630 HydrophobicContact CD1-CD1 3.86Å; L581-L630 HydrophobicContact CD2-CD1 4.16Å; L581-L630 HydrophobicContact CG-CD1 4.06Å; L630-I642 HydrophobicContact CD2-CG2 3.59Å; L630-L644 HydrophobicContact CD2-CD2 3.53Å; L630-L644 HydrophobicContact CG-CD2 4.43Å; L630-L672 HydrophobicContact CD1-CD2 4.16Å; L630-L672 HydrophobicContact CD2-CD2 4.46Å |
| 631 | I | 65.8 | Low | 59.9 | Low | 35 Ų | 35 | 73.5 Ų | 73.5 | 18% | 0.179 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 116.4 | 177 | -45 | 179.5 | 0 | 0 | 0 | 109.8 | Q578 K629 V643 N645 | Q578-I631 HydrophobicContact CG-CG1 4.4Å; K629-I631 HydrophobicContact CG-CG1 4.09Å; I631-V643 PolarHBondContact N-O 3.13Å; I631-V643 VanDerWaalsContact N-O 3.14Å; I631-V643 PolarHBondContact O-N 2.84Å; I631-N645 HydrophobicContact CD1-CB 3.68Å; I631-N645 HydrophobicContact CG1-CB 4.49Å |
| 632 | P | 58.1 | Low | 59.2 | Low | 19 Ų | 19 | 70.7 Ų | 70.7 | 12% | 0.123 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 129.3 | 164.4 | 28.3 | -29.8 | 0 | 0 | 0 | 110 | I575 Y634 | I575-P632 HydrophobicContact CG2-CB 4.22Å; I575-P632 HydrophobicContact CG2-CG 4.33Å; P632-Y634 HydrophobicContact CB-CE2 4.35Å |
| 633 | F | 54.7 | Low | 58.7 | Low | 115 Ų | 115 | 66.6 Ų | 66.6 | 50% | 0.504 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 113.8 | -179.5 | -146.4 | -78.4 | 0 | 0 | 0 | 109.4 | M641 V643 | F633-M641 PolarHBondContact N-O 3.04Å; F633-M641 PolarHBondContact O-N 2.73Å; F633-V643 HydrophobicContact CB-CB 4.49Å; F633-V643 HydrophobicContact CB-CG2 3.68Å; F633-V643 HydrophobicContact CD2-CG2 4.02Å; F633-V643 HydrophobicContact CG-CG2 4.07Å |
| 634 | Y | 52.5 | Low | 57.9 | Low | 111 Ų | 111 | 65.5 Ų | 65.5 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 103.7 | 177.4 | -67.5 | -82.4 | 0 | 0 | 0 | 109.2 | P632 P640 | P632-Y634 HydrophobicContact CB-CE2 4.35Å; Y634-P640 HydrophobicContact CD1-CB 3.81Å; Y634-P640 HydrophobicContact CE1-CB 3.67Å |
| 635 | N | 44.2 | Very low | 57.3 | Low | 87 Ų | 87 | 67 Ų | 67 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | trans | -78.3 | 146.2 | 166.5 | -161.4 | 4.9 | 0 | 0 | 0 | 109.4 | T637 M641 | N635-T637 PolarHBondContact O-N 3.49Å; N635-M641 HydrophobicContact CB-CE 4.09Å | ||
| 636 | V | 46.6 | Very low | 56.4 | Low | 137 Ų | 137 | 68.5 Ų | 68.5 | 83% | 0.83 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -72.2 | -19.4 | -167.1 | -177.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 637 | T | 44.9 | Very low | 55.1 | Low | 103 Ų | 103 | 73 Ų | 73 | 63% | 0.632 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -125.7 | 72.6 | -170.9 | 58 | 0 | 0 | 0 | 0 | 112.1 | N635 | N635-T637 PolarHBondContact O-N 3.49Š|
| 638 | N | 44.8 | Very low | 53.3 | Low | 129 Ų | 129 | 71.9 Ų | 71.9 | 69% | 0.69 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 84.9 | 137.9 | 176.7 | -48.4 | -37.5 | 0 | 0 | 0 | 116.8 | ||
| 639 | Y | 42 | Very low | 51.3 | Low | 148 Ų | 148 | 79.2 Ų | 79.2 | 58% | 0.58 | 42% | 0.424 | S | S | * | . | trans | 59.8 | 127 | 172.5 | -51 | -75.3 | 0 | 0 | 0 | 118 | N666 | Y639-N666 VanDerWaalsContact CG-O 3.3Š| ||
| 640 | P | 45.3 | Very low | 49.3 | Very low | 41 Ų | 41 | 84.1 Ų | 84.1 | 27% | 0.266 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 136.5 | 170.2 | 30.5 | -31 | 0 | 0 | 0 | 111 | Y634 W668 | Y634-P640 HydrophobicContact CD1-CB 3.81Å; Y634-P640 HydrophobicContact CE1-CB 3.67Å; P640-W668 HydrophobicContact CB-CE3 4.03Å; P640-W668 HydrophobicContact CB-CZ3 3.8Å; P640-W668 HydrophobicContact CG-CD2 4.16Å; P640-W668 HydrophobicContact CG-CE3 3.58Å; P640-W668 HydrophobicContact CG-CZ3 3.82Å |
| 641 | M | 46.7 | Very low | 47.4 | Very low | 58 Ų | 58 | 95.5 Ų | 95.5 | 29% | 0.286 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 158.7 | 178.4 | -68.4 | -177.6 | -75.5 | 0 | 0 | 111.5 | F633 N635 | F633-M641 PolarHBondContact N-O 3.04Å; F633-M641 PolarHBondContact O-N 2.73Å; N635-M641 HydrophobicContact CB-CE 4.09Å |
| 642 | I | 55.3 | Low | 46 | Very low | 27 Ų | 27 | 102.7 Ų | 102.7 | 14% | 0.138 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.9 | 170.4 | -59.5 | 177.4 | 0 | 0 | 0 | 108.1 | I575 M610 L630 L644 W668 P669 L695 | I575-I642 HydrophobicContact CD1-CD1 4.28Å; M610-I642 HydrophobicContact SD-CD1 4.32Å; L630-I642 HydrophobicContact CD2-CG2 3.59Å; I642-L644 HydrophobicContact CG2-CD2 4.3Å; I642-W668 HydrophobicContact CD1-CZ3 4.45Å; I642-W668 HydrophobicContact CG1-CH2 4.47Å; I642-W668 HydrophobicContact CG1-CZ3 4.05Å; I642-P669 HydrophobicContact CD1-CG 4.18Å; I642-L695 HydrophobicContact CD1-CD1 4Å |
| 643 | V | 55.9 | Low | 44.8 | Very low | 54 Ų | 54 | 110.9 Ų | 110.9 | 33% | 0.327 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.2 | 125.5 | 178.5 | 176.5 | 0 | 0 | 0 | 0 | 109.7 | I631 F633 | I631-V643 PolarHBondContact N-O 3.13Å; I631-V643 VanDerWaalsContact N-O 3.14Å; I631-V643 PolarHBondContact O-N 2.84Å; F633-V643 HydrophobicContact CB-CB 4.49Å; F633-V643 HydrophobicContact CB-CG2 3.68Å; F633-V643 HydrophobicContact CD2-CG2 4.02Å; F633-V643 HydrophobicContact CG-CG2 4.07Å |
| 644 | L | 54.3 | Low | 43.9 | Very low | 30 Ų | 30 | 109.9 Ų | 109.9 | 16% | 0.157 | 56% | 0.561 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 108.8 | -178.4 | -57.6 | 171.5 | 0 | 0 | 0 | 108 | I608 Y617 F628 L630 I642 | I608-L644 HydrophobicContact CD1-CD1 4.26Å; I608-L644 HydrophobicContact CD1-CD2 3.98Å; Y617-L644 HydrophobicContact CE1-CB 4.49Å; Y617-L644 HydrophobicContact CE2-CB 4.43Å; Y617-L644 HydrophobicContact CE2-CD1 3.62Å; Y617-L644 WeakPolarHBondContact OH-CD1 3.39Å; F628-L644 HydrophobicContact CE1-CB 4.46Å; F628-L644 HydrophobicContact CE1-CD2 3.9Å; F628-L644 HydrophobicContact CZ-CB 4.27Å; F628-L644 HydrophobicContact CZ-CD2 4.41Å; L630-L644 HydrophobicContact CD2-CD2 3.53Å; L630-L644 HydrophobicContact CG-CD2 4.43Å; I642-L644 HydrophobicContact CG2-CD2 4.3Å |
| 645 | N | 54.2 | Low | 43.1 | Very low | 85 Ų | 85 | 112.3 Ų | 112.3 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | trans | -124.9 | 121.5 | -167.9 | -166 | -5.5 | 0 | 0 | 0 | 111.7 | I631 | I631-N645 HydrophobicContact CD1-CB 3.68Å; I631-N645 HydrophobicContact CG1-CB 4.49Å | ||
| 646 | Q | 48.9 | Very low | 42.7 | Very low | 121 Ų | 121 | 115.5 Ų | 115.5 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | trans | -72.6 | 129.3 | -180 | -77 | -175.6 | -33.7 | 0 | 0 | 111.6 | T618 G648 | T618-Q646 PolarHBondContact O-NE2 3.4Å; Q646-G648 PolarHBondContact O-N 3.05Å | ||
| 647 | T | 47.7 | Very low | 42.2 | Very low | 99 Ų | 99 | 114.1 Ų | 114.1 | 61% | 0.607 | 58% | 0.581 | S | S | * | * | trans | -85.5 | 94.7 | 179.1 | 49.9 | 0 | 0 | 0 | 0 | 112.2 | K629 | K629-T647 HydrophobicContact CB-CG2 4.03Å; K629-T647 HydrophobicContact CD-CG2 3.66Å; K629-T647 HydrophobicContact CG-CG2 4.5Å | ||
| 648 | G | 39.1 | Very low | 41.6 | Very low | 59 Ų | 59 | 112.7 Ų | 112.7 | 61% | 0.608 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 99.9 | 129.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | Q646 L650 | Q646-G648 PolarHBondContact O-N 3.05Å; G648-L650 PolarHBondContact O-N 2.79Å |
| 649 | N | 32.9 | Very low | 41 | Very low | 160 Ų | 160 | 115.5 Ų | 115.5 | 86% | 0.856 | 60% | 0.596 | S | S | * | * | trans | 58.3 | 45.2 | 148.5 | -60.3 | 15.7 | 0 | 0 | 0 | 119.3 | ||||
| 650 | L | 30.8 | Very low | 40.7 | Very low | 147 Ų | 147 | 114.5 Ų | 114.5 | 77% | 0.77 | 60% | 0.6 | S | S | * | * | trans | -126.7 | 91.6 | 153.4 | -79.2 | 171.6 | 0 | 0 | 0 | 109.9 | G648 | G648-L650 PolarHBondContact O-N 2.79Š| ||
| 651 | W | 31.3 | Very low | 40.2 | Very low | 240 Ų | 240 | 119.8 Ų | 119.8 | 91% | 0.909 | 63% | 0.626 | S | S | * | * | trans | -116.7 | 1.3 | 178.7 | -90.1 | 52.9 | 0 | 0 | 0 | 113.6 | ||||
| 652 | E | 36.5 | Very low | 39.9 | Very low | 186 Ų | 186 | 122.1 Ų | 122.1 | 87% | 0.869 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -93.6 | 10.5 | -168.5 | -61.1 | -170.9 | 146.9 | 0 | 0 | 115.5 | ||
| 653 | R | 32.9 | Very low | 39.2 | Very low | 191 Ų | 191 | 124.5 Ų | 124.5 | 72% | 0.721 | 65% | 0.652 | S | S | * | * | trans | -135.6 | 82.2 | 174 | -68 | -168.5 | -178.4 | -168.2 | 1 | 112.8 | N655 | R653-N655 VanDerWaalsContact C-N 3.29Å; R653-N655 PolarHBondContact O-N 2.85Å | ||
| 654 | P | 34.4 | Very low | 38.6 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 62% | 0.617 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -66.7 | -25.3 | 180 | -21.8 | 34.5 | 0 | 0 | 0 | 114.5 | E656 | P654-E656 PolarHBondContact O-N 2.79Š|
| 655 | N | 36.6 | Very low | 38.2 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 86% | 0.861 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -86.5 | 3.7 | -159.8 | -65.5 | 3.7 | 0 | 0 | 0 | 115.9 | R653 | R653-N655 VanDerWaalsContact C-N 3.29Å; R653-N655 PolarHBondContact O-N 2.85Å |
| 656 | E | 36.2 | Very low | 37.9 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 72% | 0.724 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -110.9 | 0.2 | 179 | -69.7 | 179 | 176 | 0 | 0 | 113.7 | P654 G658 | P654-E656 PolarHBondContact O-N 2.79Å; E656-G658 PolarHBondContact O-N 2.8Å; E656-G658 VanDerWaalsContact O-N 3.08Å |
| 657 | L | 34.8 | Very low | 38.1 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 57% | 0.565 | 68% | 0.684 | S | S | * | * | trans | -74.1 | 5.3 | -174.2 | -88 | 76.9 | 0 | 0 | 0 | 115.7 | H659 L660 | L657-H659 PolarHBondContact O-N 2.79Å; L657-L660 HydrophobicContact CB-CD1 4.37Å; L657-L660 HydrophobicContact CD2-CD1 3.92Å; L657-L660 HydrophobicContact CG-CD1 3.95Å; L657-L660 PolarHBondContact O-N 2.68Å | ||
| 658 | G | 32.5 | Very low | 38.7 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 75% | 0.753 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 1.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | E656 | E656-G658 PolarHBondContact O-N 2.8Å; E656-G658 VanDerWaalsContact O-N 3.08Å |
| 659 | H | 33.7 | Very low | 39.8 | Very low | 188 Ų | 188 | 127.4 Ų | 127.4 | 87% | 0.87 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | 13.7 | -179.8 | -69.8 | -33.4 | 0 | 0 | 0 | 114.7 | L657 N661 | L657-H659 PolarHBondContact O-N 2.79Å; H659-N661 PolarHBondContact O-N 2.81Å |
| 660 | L | 34.5 | Very low | 41.5 | Very low | 127 Ų | 127 | 125 Ų | 125 | 67% | 0.665 | 62% | 0.619 | S | S | * | * | trans | -76.1 | 59.4 | 169.5 | -81.4 | 162.8 | 0 | 0 | 0 | 112.4 | L657 N662 | L657-L660 HydrophobicContact CB-CD1 4.37Å; L657-L660 HydrophobicContact CD2-CD1 3.92Å; L657-L660 HydrophobicContact CG-CD1 3.95Å; L657-L660 PolarHBondContact O-N 2.68Å; L660-N662 PolarHBondContact O-N 2.97Å | ||
| 661 | N | 35.6 | Very low | 43.6 | Very low | 152 Ų | 152 | 121.9 Ų | 121.9 | 81% | 0.813 | 60% | 0.601 | S | S | * | * | trans | -69.2 | 110 | 160 | -91.3 | -7.8 | 0 | 0 | 0 | 108.3 | H659 L663 | H659-N661 PolarHBondContact O-N 2.81Å; N661-L663 PolarHBondContact O-N 2.89Å | ||
| 662 | N | 39.9 | Very low | 45.9 | Very low | 107 Ų | 107 | 110.5 Ų | 110.5 | 57% | 0.572 | 56% | 0.558 | S | S | * | * | trans | -48.7 | 120.9 | 172.1 | -72.8 | -22.5 | 0 | 0 | 0 | 110.1 | L660 Y664 | L660-N662 PolarHBondContact O-N 2.97Å; N662-Y664 HydrophobicContact CB-CD2 3.73Å; N662-Y664 HydrophobicContact CB-CE1 4.44Å; N662-Y664 HydrophobicContact CB-CE2 3.36Å; N662-Y664 HydrophobicContact CB-CG 4.42Å; N662-Y664 PolarHBondContact ND2-OH 2.83Å; N662-Y664 VanDerWaalsContact ND2-OH 3.12Å; N662-Y664 WeakPolarHBondContact O-CD2 3.29Å; N662-Y664 PolarHBondContact O-N 2.77Å | ||
| 663 | L | 40.1 | Very low | 48.1 | Very low | 76 Ų | 76 | 102 Ų | 102 | 40% | 0.398 | 52% | 0.519 | S | S | . | . | trans | -81.3 | 75.3 | 179.9 | -141.2 | 166.1 | 0 | 0 | 0 | 108.9 | Q615 N661 L665 | Q615-L663 HydrophobicContact CG-CD1 3.81Å; N661-L663 PolarHBondContact O-N 2.89Å; L663-L665 VanDerWaalsContact C-N 3.31Å; L663-L665 HydrophobicContact CD2-CG 4.23Å; L663-L665 PolarHBondContact O-N 2.84Å | ||
| 664 | Y | 43.5 | Very low | 50.7 | Low | 159 Ų | 159 | 93 Ų | 93 | 62% | 0.624 | 49% | 0.485 | S | S | * | . | trans | -65.9 | 85 | 178.4 | -70.9 | -74.9 | 0 | 0 | 0 | 111.1 | N662 N666 | N662-Y664 HydrophobicContact CB-CD2 3.73Å; N662-Y664 HydrophobicContact CB-CE1 4.44Å; N662-Y664 HydrophobicContact CB-CE2 3.36Å; N662-Y664 HydrophobicContact CB-CG 4.42Å; N662-Y664 PolarHBondContact ND2-OH 2.83Å; N662-Y664 VanDerWaalsContact ND2-OH 3.12Å; N662-Y664 WeakPolarHBondContact O-CD2 3.29Å; N662-Y664 PolarHBondContact O-N 2.77Å; Y664-N666 PolarHBondContact O-N 3.07Å | ||
| 665 | L | 46.1 | Very low | 53.2 | Low | 50 Ų | 50 | 91.6 Ų | 91.6 | 26% | 0.262 | 47% | 0.467 | S | S | . | . | trans | -74.9 | 105 | 159.4 | -79.6 | 164.6 | 0 | 0 | 0 | 108.2 | M610 L663 D667 | M610-L665 HydrophobicContact CB-CD1 4.02Å; M610-L665 HydrophobicContact CE-CD1 4.05Å; M610-L665 HydrophobicContact SD-CD1 4.38Å; L663-L665 VanDerWaalsContact C-N 3.31Å; L663-L665 HydrophobicContact CD2-CG 4.23Å; L663-L665 PolarHBondContact O-N 2.84Å; L665-D667 PolarHBondContact O-N 3.48Å | ||
| 666 | N | 48.3 | Very low | 55.6 | Low | 121 Ų | 121 | 84 Ų | 84 | 65% | 0.647 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -67.8 | -23.5 | 172.7 | -72.4 | -16.2 | 0 | 0 | 0 | 112.2 | Y639 Y664 | Y639-N666 VanDerWaalsContact CG-O 3.3Å; Y664-N666 PolarHBondContact O-N 3.07Å |
| 667 | D | 53.5 | Low | 58 | Low | 121 Ų | 121 | 77.2 Ų | 77.2 | 65% | 0.647 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -101.9 | 143.7 | 178.2 | -69 | -57.6 | 0 | 0 | 0 | 111.6 | L665 P669 | L665-D667 PolarHBondContact O-N 3.48Å; D667-P669 WeakPolarHBondContact O-CD 3.49Å |
| 668 | W | 59.1 | Low | 60.4 | Low | 51 Ų | 51 | 72 Ų | 72 | 19% | 0.193 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 117.9 | 173.4 | -177 | -110.1 | 0 | 0 | 0 | 109.8 | P640 I642 K670 L695 | P640-W668 HydrophobicContact CB-CE3 4.03Å; P640-W668 HydrophobicContact CB-CZ3 3.8Å; P640-W668 HydrophobicContact CG-CD2 4.16Å; P640-W668 HydrophobicContact CG-CE3 3.58Å; P640-W668 HydrophobicContact CG-CZ3 3.82Å; I642-W668 HydrophobicContact CD1-CZ3 4.45Å; I642-W668 HydrophobicContact CG1-CH2 4.47Å; I642-W668 HydrophobicContact CG1-CZ3 4.05Å; W668-K670 PolarHBondContact O-N 2.89Å; W668-L695 PolarHBondContact NE1-O 2.88Å; W668-L695 VanDerWaalsContact NE1-O 3.13Å |
| 669 | P | 63 | Low | 62.7 | Low | 7 Ų | 7 | 69.5 Ų | 69.5 | 5% | 0.045 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 138.7 | -173.9 | 22.7 | -30.9 | 0 | 0 | 0 | 111 | M610 I642 D667 L695 | M610-P669 HydrophobicContact CB-CB 4.08Å; M610-P669 HydrophobicContact CB-CG 4.42Å; M610-P669 HydrophobicContact CG-CG 4.46Å; M610-P669 HydrophobicContact SD-CG 4.22Å; I642-P669 HydrophobicContact CD1-CG 4.18Å; D667-P669 WeakPolarHBondContact O-CD 3.49Å; P669-L695 HydrophobicContact CG-CD1 4.05Å; P669-L695 WeakPolarHBondContact O-CB 3.3Å |
| 670 | K | 67.8 | Low | 64.6 | Low | 110 Ų | 110 | 60.9 Ų | 60.9 | 48% | 0.478 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -71.9 | -36 | -178.3 | -58.6 | 169.3 | -167.3 | 176.1 | 0 | 111.3 | D611 W668 L694 L695 I701 | D611-K670 PolarHBondContact OD1-N 2.8Å; D611-K670 WeakPolarHBondContact OD2-CG 3.09Å; D611-K670 PolarHBondContact OD2-N 2.84Å; W668-K670 PolarHBondContact O-N 2.89Å; K670-L694 WeakPolarHBondContact O-CA 3.47Å; K670-L695 PolarHBondContact O-N 3.42Å; K670-I701 HydrophobicContact CD-CD1 4.27Å |
| 671 | Q | 74.5 | Confident | 66.3 | Low | 82 Ų | 82 | 61.2 Ų | 61.2 | 38% | 0.383 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 127.7 | -174.5 | -175.3 | 172.3 | -22 | 0 | 0 | 111 | D611 C673 C692 L694 | D611-Q671 PolarHBondContact N-O 3.31Å; D611-Q671 PolarHBondContact OD1-N 3.22Å; Q671-C673 PolarHBondContact NE2-SG 3.23Å; Q671-C692 HydrophobicContact CG-CB 4.38Å; Q671-C692 PolarHBondContact NE2-SG 2.94Å; Q671-C692 VanDerWaalsContact NE2-SG 3.44Å; Q671-L694 HydrophobicContact CB-CD2 4.12Å; Q671-L694 HydrophobicContact CG-CD2 4.39Å |
| 672 | L | 79.7 | Confident | 67.6 | Low | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 123.1 | 169.7 | 175 | 70.9 | 0 | 0 | 0 | 108.9 | L571 I575 I608 S609 M610 L630 V674 C692 T693 L695 | L571-L672 HydrophobicContact CD1-CD2 3.93Å; L571-L672 HydrophobicContact CD1-CG 4.46Å; I575-L672 HydrophobicContact CD1-CD2 3.43Å; I575-L672 VanDerWaalsContact CD1-CD2 3.43Å; I608-L672 HydrophobicContact CG2-CD1 3.6Å; S609-L672 WeakPolarHBondContact O-CA 3.11Å; M610-L672 HydrophobicContact CG-CD1 3.52Å; M610-L672 HydrophobicContact SD-CD1 4.17Å; L630-L672 HydrophobicContact CD1-CD2 4.16Å; L630-L672 HydrophobicContact CD2-CD2 4.46Å; L672-V674 HydrophobicContact CG-CG2 4.45Å; L672-C692 CarbonylContact O-C 3.55Å; L672-C692 WeakPolarHBondContact O-CA 3.38Å; L672-T693 HydrophobicContact CB-CG2 4.15Å; L672-T693 PolarHBondContact N-O 2.67Å; L672-T693 PolarHBondContact O-N 3.28Å; L672-L695 HydrophobicContact CB-CD1 3.95Å; L672-L695 HydrophobicContact CB-CG 4.33Å |
| 673 | C | 84.1 | Confident | 68.9 | Low | 8 Ų | 8 | 52.4 Ų | 52.4 | 5% | 0.054 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 145 | 173.2 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | I608 S609 Q671 E690 S691 C692 | I608-C673 CarbonylContact C-O 3.43Å; I608-C673 WeakPolarHBondContact CA-O 3.45Å; S609-C673 PolarHBondContact N-O 2.83Å; S609-C673 PolarHBondContact O-N 2.71Å; Q671-C673 PolarHBondContact NE2-SG 3.23Å; C673-E690 HydrophobicContact CB-CG 3.71Å; C673-S691 CarbonylContact C-O 3.43Å; C673-S691 WeakPolarHBondContact CA-O 3.27Å; C673-C692 HydrophobicContact CB-CB 4.09Å; C673-C692 WeakPolarHBondContact CB-SG 3.13Å; C673-C692 WeakPolarHBondContact SG-CB 3.28Å; C673-C692 CovalentContact SG-SG 2.04Å; C673-C692 PolarHBondContact SG-SG 2.73Å |
| 674 | V | 86.1 | Confident | 70.1 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 135.8 | 179.2 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | V568 L571 L581 W606 F607 I608 L672 S691 | V568-V674 HydrophobicContact CG1-CB 4.41Å; V568-V674 HydrophobicContact CG1-CG1 4.22Å; L571-V674 HydrophobicContact CD1-CG2 3.93Å; L571-V674 HydrophobicContact CD2-CG2 4.41Å; L581-V674 HydrophobicContact CD1-CB 4.37Å; L581-V674 HydrophobicContact CD1-CG1 3.98Å; L581-V674 HydrophobicContact CD1-CG2 3.92Å; W606-V674 HydrophobicContact CE3-CG1 3.76Å; W606-V674 HydrophobicContact CZ3-CG1 4.11Å; F607-V674 WeakPolarHBondContact O-CA 3.44Å; I608-V674 HydrophobicContact CG1-CG1 4.3Å; I608-V674 HydrophobicContact CG1-CG2 4.29Å; I608-V674 HydrophobicContact CG2-CG2 4.39Å; L672-V674 HydrophobicContact CG-CG2 4.45Å; V674-S691 PolarHBondContact N-O 2.9Å; V674-S691 PolarHBondContact O-N 3.04Å |
| 675 | R | 87.6 | Confident | 71.7 | Confident | 67 Ų | 67 | 47.1 Ų | 47.1 | 25% | 0.253 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 152.1 | 164.9 | 60.8 | -176.7 | -179.5 | 79.1 | 4.3 | 110.7 | W606 F607 S688 E690 | W606-R675 CarbonylContact C-O 3.5Å; W606-R675 WeakPolarHBondContact CA-O 3.43Å; F607-R675 HydrophobicContact CB-CG 3.76Å; F607-R675 HydrophobicContact CD2-CG 4.18Å; F607-R675 VanDerWaalsContact CE2-NH1 3.26Å; F607-R675 HydrophobicContact CG-CG 4.29Å; F607-R675 VanDerWaalsContact CG-NH1 3.34Å; F607-R675 VanDerWaalsContact CG-NH2 3.34Å; F607-R675 PolarHBondContact N-O 2.82Å; F607-R675 PolarHBondContact O-N 3.22Å; R675-S688 WeakPolarHBondContact CA-OG 3.19Å; R675-S688 WeakPolarHBondContact CB-OG 3.44Å; R675-E690 HydrophobicContact CB-CB 4.39Å |
| 676 | C | 87.9 | Confident | 73.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 158.7 | 172.3 | 67 | 0 | 0 | 0 | 0 | 111.5 | V568 C583 V604 T605 W606 N687 S688 | V568-C676 HydrophobicContact CG2-CB 4.43Å; C583-C676 HydrophobicContact CB-CB 3.73Å; C583-C676 WeakPolarHBondContact CB-SG 3.38Å; C583-C676 WeakPolarHBondContact SG-CB 3.15Å; C583-C676 CovalentContact SG-SG 2.04Å; C583-C676 PolarHBondContact SG-SG 3.48Å; V604-C676 HydrophobicContact CG1-CB 3.95Å; T605-C676 CarbonylContact O-C 3.55Å; T605-C676 WeakPolarHBondContact O-CA 3.35Å; W606-C676 HydrophobicContact CD2-CB 4.11Å; W606-C676 HydrophobicContact CE3-CB 4Å; W606-C676 HydrophobicContact CZ3-CB 4.32Å; C676-N687 CarbonylContact O-C 3.59Å; C676-N687 WeakPolarHBondContact O-CA 3.26Å; C676-S688 PolarHBondContact N-OG 3.49Å; C676-S688 PolarHBondContact O-N 2.93Å |
| 677 | S | 85.8 | Confident | 74.7 | Confident | 13 Ų | 13 | 43.1 Ų | 43.1 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 113.9 | 179.5 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | V604 T605 F686 N687 | V604-S677 CarbonylContact C-O 3.44Å; V604-S677 VanDerWaalsContact CA-O 3.26Å; V604-S677 WeakPolarHBondContact CA-O 3.39Å; T605-S677 PolarHBondContact N-O 3.24Å; T605-S677 PolarHBondContact O-N 2.83Å; S677-F686 CarbonylContact C-O 3.59Å; S677-F686 VanDerWaalsContact CA-O 3.3Å; S677-F686 WeakPolarHBondContact CA-O 3.37Å; S677-N687 VanDerWaalsContact CB-OD1 3.29Å; S677-N687 WeakPolarHBondContact CB-OD1 3.46Å; S677-N687 PolarHBondContact OG-OD1 2.86Å |
| 678 | S | 84.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 144.8 | 175.1 | 71.6 | 0 | 0 | 0 | 0 | 111 | R566 E589 H603 H685 F686 | R566-S678 PolarHBondContact NE-OG 3.14Å; E589-S678 PolarHBondContact OE1-OG 3.38Å; H603-S678 WeakPolarHBondContact O-CA 3.31Å; S678-H685 CarbonylContact O-C 3.58Å; S678-H685 VanDerWaalsContact O-CA 3.25Å; S678-H685 WeakPolarHBondContact O-CA 3.47Å; S678-F686 PolarHBondContact N-O 3.43Å; S678-F686 PolarHBondContact O-N 3.05Å |
| 679 | V | 79.9 | Confident | 77.1 | Confident | 19 Ų | 19 | 41.5 Ų | 41.5 | 12% | 0.115 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 124.7 | 178.8 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | N602 H603 I684 H685 | N602-V679 PolarHBondContact N-O 3.14Å; H603-V679 PolarHBondContact N-O 3.39Å; H603-V679 WeakPolarHBondContact NE2-CG2 3.44Å; H603-V679 PolarHBondContact O-N 3.45Å; V679-I684 WeakPolarHBondContact CA-O 3.35Å; V679-H685 WeakPolarHBondContact CG1-ND1 3.38Å; V679-H685 WeakPolarHBondContact CG2-ND1 3.41Å |
| 680 | Y | 75.6 | Confident | 78 | Confident | 7 Ų | 7 | 45.8 Ų | 45.8 | 3% | 0.027 | 23% | 0.226 | C | C | . | . | trans | -94 | 159.8 | 175.8 | -71.3 | -98 | 0 | 0 | 0 | 111.6 | E589 A593 Y598 Y600 P601 I682 G683 I684 F686 | E589-Y680 HydrophobicContact CG-CE2 4.38Å; E589-Y680 WeakPolarHBondContact OE1-CE2 3.3Å; E589-Y680 PolarHBondContact OE1-OH 2.81Å; A593-Y680 HydrophobicContact CB-CE1 4.06Å; Y598-Y680 HydrophobicContact CG-CD1 4.41Å; Y600-Y680 VanDerWaalsContact C-CE1 3.47Å; Y600-Y680 WeakPolarHBondContact O-CD1 3.32Å; Y600-Y680 WeakPolarHBondContact O-CE1 3Å; P601-Y680 HydrophobicContact CB-CD2 4.3Å; P601-Y680 HydrophobicContact CB-CE1 4.4Å; P601-Y680 HydrophobicContact CB-CE2 4.07Å; Y680-I682 PolarHBondContact O-N 2.6Å; Y680-G683 PolarHBondContact O-N 3.22Å; Y680-I684 PolarHBondContact N-O 2.97Å; Y680-F686 HydrophobicContact CD2-CD2 4.09Å; Y680-F686 AromaticContact CD2-CE2 4Å; Y680-F686 HydrophobicContact CD2-CE2 4Å; Y680-F686 AromaticContact CE2-CD2 3.73Å; Y680-F686 HydrophobicContact CE2-CD2 3.73Å; Y680-F686 AromaticContact CE2-CE2 3.7Å; Y680-F686 HydrophobicContact CE2-CE2 3.7Å | ||
| 681 | E | 69 | Low | 78.7 | Confident | 135 Ų | 135 | 42.5 Ų | 42.5 | 63% | 0.631 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -40.2 | 179.7 | -75.8 | -178.5 | 145.2 | 0 | 0 | 113.7 | Y598 N602 G683 | Y598-E681 HydrophobicContact CE1-CB 4.16Å; N602-E681 VanDerWaalsContact CG-CG 3.49Å; N602-E681 WeakPolarHBondContact ND2-CG 3.44Å; N602-E681 WeakPolarHBondContact OD1-CG 3.17Å; E681-G683 PolarHBondContact O-N 3.08Å; E681-G683 VanDerWaalsContact O-N 3.1Å |
| 682 | I | 63.2 | Low | 79 | Confident | 40 Ų | 40 | 41.6 Ų | 41.6 | 21% | 0.205 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -5.5 | 174.6 | 45.8 | 173.3 | 0 | 0 | 0 | 114.7 | M455 L457 Y598 Y680 I684 | M455-I682 WeakPolarHBondContact CE-O 3.48Å; L457-I682 HydrophobicContact CD2-CB 3.88Å; L457-I682 HydrophobicContact CD2-CD1 3.7Å; L457-I682 HydrophobicContact CD2-CG1 4.36Å; L457-I682 HydrophobicContact CD2-CG2 3.92Å; Y598-I682 HydrophobicContact CD2-CD1 4Å; Y598-I682 HydrophobicContact CE1-CG2 4.37Å; Y598-I682 HydrophobicContact CE2-CD1 3.89Å; Y598-I682 HydrophobicContact CE2-CG1 4.29Å; Y598-I682 HydrophobicContact CE2-CG2 3.82Å; Y598-I682 VanDerWaalsContact OH-CG2 3.28Å; Y598-I682 WeakPolarHBondContact OH-CG2 3.49Å; Y680-I682 PolarHBondContact O-N 2.6Å; I682-I684 HydrophobicContact CD1-CB 4.46Å; I682-I684 HydrophobicContact CD1-CD1 3.5Å; I682-I684 HydrophobicContact CD1-CG1 3.76Å; I682-I684 HydrophobicContact CG1-CB 4.48Å; I682-I684 HydrophobicContact CG1-CD1 4.34Å; I682-I684 HydrophobicContact CG1-CG1 4.04Å |
| 683 | G | 66.2 | Low | 78.6 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 34% | 0.34 | 22% | 0.224 | S | C | . | . | trans | 79.9 | 19.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y680 E681 | Y680-G683 PolarHBondContact O-N 3.22Å; E681-G683 PolarHBondContact O-N 3.08Å; E681-G683 VanDerWaalsContact O-N 3.1Å | ||
| 684 | I | 67.1 | Low | 77.8 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | trans | -78.4 | 129.7 | 167.8 | -60.9 | -175 | 0 | 0 | 0 | 108.4 | M455 L473 I592 V679 Y680 I682 F686 | M455-I684 HydrophobicContact CE-CD1 4.44Å; M455-I684 HydrophobicContact CE-CG1 3.46Å; M455-I684 VanDerWaalsContact CE-CG1 3.46Å; M455-I684 HydrophobicContact SD-CD1 4.39Å; M455-I684 HydrophobicContact SD-CG1 3.77Å; L473-I684 HydrophobicContact CD2-CD1 3.84Å; I592-I684 HydrophobicContact CG2-CD1 4.5Å; V679-I684 WeakPolarHBondContact CA-O 3.35Å; Y680-I684 PolarHBondContact N-O 2.97Å; I682-I684 HydrophobicContact CD1-CB 4.46Å; I682-I684 HydrophobicContact CD1-CD1 3.5Å; I682-I684 HydrophobicContact CD1-CG1 3.76Å; I682-I684 HydrophobicContact CG1-CB 4.48Å; I682-I684 HydrophobicContact CG1-CD1 4.34Å; I682-I684 HydrophobicContact CG1-CG1 4.04Å; I684-F686 HydrophobicContact CB-CE2 4.41Å; I684-F686 HydrophobicContact CG2-CD2 3.91Å; I684-F686 HydrophobicContact CG2-CE2 3.35Å; I684-F686 HydrophobicContact CG2-CZ 3.72Å | ||
| 685 | H | 75.5 | Confident | 76.8 | Confident | 114 Ų | 114 | 47.8 Ų | 47.8 | 53% | 0.528 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 129.5 | 175.4 | -45.7 | -72.5 | 0 | 0 | 0 | 110.5 | S678 V679 | S678-H685 CarbonylContact O-C 3.58Å; S678-H685 VanDerWaalsContact O-CA 3.25Å; S678-H685 WeakPolarHBondContact O-CA 3.47Å; V679-H685 WeakPolarHBondContact CG1-ND1 3.38Å; V679-H685 WeakPolarHBondContact CG2-ND1 3.41Å |
| 686 | F | 76.9 | Confident | 75.3 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.022 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122.8 | 169.3 | -60.5 | -94.1 | 0 | 0 | 0 | 109.9 | L564 R566 E589 I592 S677 S678 Y680 I684 | L564-F686 HydrophobicContact CB-CD1 4.26Å; L564-F686 HydrophobicContact CB-CE1 4.33Å; L564-F686 HydrophobicContact CD1-CE1 4.29Å; R566-F686 HydrophobicContact CG-CB 4.45Å; E589-F686 HydrophobicContact CB-CD1 4.28Å; E589-F686 HydrophobicContact CB-CE1 4.08Å; E589-F686 HydrophobicContact CB-CE2 4.47Å; E589-F686 HydrophobicContact CB-CZ 4.18Å; E589-F686 HydrophobicContact CG-CD1 4.3Å; E589-F686 HydrophobicContact CG-CD2 3.84Å; E589-F686 HydrophobicContact CG-CE1 4.22Å; E589-F686 HydrophobicContact CG-CE2 3.74Å; E589-F686 HydrophobicContact CG-CG 4.12Å; E589-F686 HydrophobicContact CG-CZ 3.94Å; I592-F686 HydrophobicContact CD1-CE1 4.46Å; I592-F686 HydrophobicContact CD1-CZ 4.31Å; I592-F686 HydrophobicContact CG2-CZ 4.34Å; S677-F686 CarbonylContact C-O 3.59Å; S677-F686 VanDerWaalsContact CA-O 3.3Å; S677-F686 WeakPolarHBondContact CA-O 3.37Å; S678-F686 PolarHBondContact N-O 3.43Å; S678-F686 PolarHBondContact O-N 3.05Å; Y680-F686 HydrophobicContact CD2-CD2 4.09Å; Y680-F686 AromaticContact CD2-CE2 4Å; Y680-F686 HydrophobicContact CD2-CE2 4Å; Y680-F686 AromaticContact CE2-CD2 3.73Å; Y680-F686 HydrophobicContact CE2-CD2 3.73Å; Y680-F686 AromaticContact CE2-CE2 3.7Å; Y680-F686 HydrophobicContact CE2-CE2 3.7Å; I684-F686 HydrophobicContact CB-CE2 4.41Å; I684-F686 HydrophobicContact CG2-CD2 3.91Å; I684-F686 HydrophobicContact CG2-CE2 3.35Å; I684-F686 HydrophobicContact CG2-CZ 3.72Å |
| 687 | N | 80.1 | Confident | 73.6 | Confident | 81 Ų | 81 | 49.7 Ų | 49.7 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 148.7 | 179.9 | -64.7 | -20 | 0 | 0 | 0 | 110.3 | T565 R566 C676 S677 | T565-N687 CarbonylContact C-O 3.59Å; T565-N687 WeakPolarHBondContact CA-O 3.09Å; T565-N687 WeakPolarHBondContact CB-O 3.07Å; T565-N687 WeakPolarHBondContact CG2-O 3.31Å; R566-N687 PolarHBondContact N-O 3.17Å; C676-N687 CarbonylContact O-C 3.59Å; C676-N687 WeakPolarHBondContact O-CA 3.26Å; S677-N687 VanDerWaalsContact CB-OD1 3.29Å; S677-N687 WeakPolarHBondContact CB-OD1 3.46Å; S677-N687 PolarHBondContact OG-OD1 2.86Å |
| 688 | S | 83.5 | Confident | 71.9 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -77.8 | 164.3 | 161.2 | 73.7 | 0 | 0 | 0 | 0 | 111.3 | R566 R675 C676 | R566-S688 WeakPolarHBondContact O-CA 3.18Å; R566-S688 WeakPolarHBondContact O-CB 3.42Å; R675-S688 WeakPolarHBondContact CA-OG 3.19Å; R675-S688 WeakPolarHBondContact CB-OG 3.44Å; C676-S688 PolarHBondContact N-OG 3.49Å; C676-S688 PolarHBondContact O-N 2.93Å |
| 689 | H | 80.1 | Confident | 70 | Confident | 130 Ų | 130 | 57.4 Ų | 57.4 | 60% | 0.602 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 161.6 | 153.3 | -69.5 | -61.6 | 0 | 0 | 0 | 110.1 | T565 S691 | T565-H689 PolarHBondContact OG1-CD2 3.26Å; T565-H689 VanDerWaalsContact OG1-CD2 3.31Å; T565-H689 PolarHBondContact OG1-NE2 3.24Å; H689-S691 PolarHBondContact O-N 3.49Å |
| 690 | E | 82.3 | Confident | 68.3 | Low | 97 Ų | 97 | 58.9 Ų | 58.9 | 45% | 0.453 | 31% | 0.313 | S | S | . | . | trans | -83.6 | 110.1 | 173.4 | -173.6 | 163.8 | -98.8 | 0 | 0 | 109.5 | C673 R675 | C673-E690 HydrophobicContact CB-CG 3.71Å; R675-E690 HydrophobicContact CB-CB 4.39Å | ||
| 691 | S | 81.9 | Confident | 66.7 | Low | 41 Ų | 41 | 61.8 Ų | 61.8 | 29% | 0.287 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 119.9 | 175.5 | -70.6 | 0 | 0 | 0 | 0 | 108.4 | L571 C673 V674 H689 | L571-S691 WeakPolarHBondContact CD2-O 3.27Å; C673-S691 CarbonylContact C-O 3.43Å; C673-S691 WeakPolarHBondContact CA-O 3.27Å; V674-S691 PolarHBondContact N-O 2.9Å; V674-S691 PolarHBondContact O-N 3.04Å; H689-S691 PolarHBondContact O-N 3.49Å |
| 692 | C | 82.3 | Confident | 65.5 | Low | 63 Ų | 63 | 59.5 Ų | 59.5 | 43% | 0.426 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 145.1 | 178.5 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | Q671 L672 C673 | Q671-C692 HydrophobicContact CG-CB 4.38Å; Q671-C692 PolarHBondContact NE2-SG 2.94Å; Q671-C692 VanDerWaalsContact NE2-SG 3.44Å; L672-C692 CarbonylContact O-C 3.55Å; L672-C692 WeakPolarHBondContact O-CA 3.38Å; C673-C692 HydrophobicContact CB-CB 4.09Å; C673-C692 WeakPolarHBondContact CB-SG 3.13Å; C673-C692 WeakPolarHBondContact SG-CB 3.28Å; C673-C692 CovalentContact SG-SG 2.04Å; C673-C692 PolarHBondContact SG-SG 2.73Å |
| 693 | T | 71.1 | Confident | 64.5 | Low | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.117 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 140.2 | 170.6 | -166.3 | 0 | 0 | 0 | 0 | 110.2 | L571 S573 L672 L695 | L571-T693 HydrophobicContact CD1-CG2 4.16Å; L571-T693 HydrophobicContact CD2-CG2 4.22Å; L571-T693 HydrophobicContact CG-CG2 3.93Å; S573-T693 VanDerWaalsContact CA-OG1 3.24Å; S573-T693 WeakPolarHBondContact CA-OG1 3.35Å; S573-T693 WeakPolarHBondContact CB-OG1 3.45Å; S573-T693 PolarHBondContact N-OG1 3.3Å; L672-T693 HydrophobicContact CB-CG2 4.15Å; L672-T693 PolarHBondContact N-O 2.67Å; L672-T693 PolarHBondContact O-N 3.28Å; T693-L695 HydrophobicContact CG2-CD2 4.04Å |
| 694 | L | 67.5 | Low | 63.4 | Low | 110 Ų | 110 | 66 Ų | 66 | 58% | 0.576 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.5 | 172.9 | -72.4 | 166.9 | 0 | 0 | 0 | 108.8 | S573 K670 Q671 | S573-L694 WeakPolarHBondContact CB-O 3.23Å; K670-L694 WeakPolarHBondContact O-CA 3.47Å; Q671-L694 HydrophobicContact CB-CD2 4.12Å; Q671-L694 HydrophobicContact CG-CD2 4.39Å |
| 695 | L | 64.1 | Low | 62.3 | Low | 9 Ų | 9 | 71.4 Ų | 71.4 | 5% | 0.047 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -100 | 4.2 | -177.7 | -58.5 | 176.7 | 0 | 0 | 0 | 113.1 | I575 I642 W668 P669 K670 L672 T693 | I575-L695 HydrophobicContact CD1-CD1 4.34Å; I575-L695 HydrophobicContact CD1-CD2 3.58Å; I575-L695 HydrophobicContact CG1-CD2 3.8Å; I642-L695 HydrophobicContact CD1-CD1 4Å; W668-L695 PolarHBondContact NE1-O 2.88Å; W668-L695 VanDerWaalsContact NE1-O 3.13Å; P669-L695 HydrophobicContact CG-CD1 4.05Å; P669-L695 WeakPolarHBondContact O-CB 3.3Å; K670-L695 PolarHBondContact O-N 3.42Å; L672-L695 HydrophobicContact CB-CD1 3.95Å; L672-L695 HydrophobicContact CB-CG 4.33Å; T693-L695 HydrophobicContact CG2-CD2 4.04Å |
| 696 | N | 55.4 | Low | 60.8 | Low | 62 Ų | 62 | 72.5 Ų | 72.5 | 33% | 0.332 | 38% | 0.38 | S | S | . | . | trans | -119.4 | 111 | 176.1 | -76.9 | -43.3 | 0 | 0 | 0 | 110.5 | F698 | N696-F698 PolarHBondContact O-N 2.02Š| ||
| 697 | D | 52.1 | Low | 59 | Low | 45 Ų | 45 | 75.5 Ų | 75.5 | 24% | 0.241 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -77.6 | 2.5 | 177.6 | -84.9 | -69.9 | 0 | 0 | 0 | 114.5 | S799 | D697-S799 WeakPolarHBondContact OD2-CB 3.29Š|
| 698 | F | 51.7 | Low | 57 | Low | 56 Ų | 56 | 75.6 Ų | 75.6 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -152.4 | 148.9 | 177.5 | -90.1 | -82 | 0 | 0 | 0 | 111.8 | N696 V700 I759 | N696-F698 PolarHBondContact O-N 2.02Å; F698-V700 HydrophobicContact CB-CG2 4.01Å; F698-V700 PolarHBondContact O-N 3.34Å; F698-I759 HydrophobicContact CE2-CG2 3.62Å; F698-I759 HydrophobicContact CZ-CD1 4.49Å; F698-I759 HydrophobicContact CZ-CG2 3.66Å |
| 699 | N | 44.3 | Very low | 54.9 | Low | 119 Ų | 119 | 80.5 Ų | 80.5 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | trans | -69.9 | 75.1 | 159.7 | -93.4 | 26.4 | 0 | 0 | 0 | 110.4 | I701 D702 | N699-I701 PolarHBondContact O-N 3.19Å; N699-D702 WeakPolarHBondContact CB-OD2 3.38Å; N699-D702 PolarHBondContact ND2-OD2 2.85Å | ||
| 700 | V | 44.4 | Very low | 53.1 | Low | 51 Ų | 51 | 83 Ų | 83 | 31% | 0.309 | 46% | 0.456 | S | S | . | . | trans | -66.1 | -31.6 | 171.7 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | F698 D702 I703 F704 | F698-V700 HydrophobicContact CB-CG2 4.01Å; F698-V700 PolarHBondContact O-N 3.34Å; V700-D702 PolarHBondContact O-N 2.89Å; V700-I703 PolarHBondContact O-N 3.27Å; V700-F704 HydrophobicContact CG1-CD2 3.51Å; V700-F704 HydrophobicContact CG1-CE2 3.6Å; V700-F704 WeakPolarHBondContact O-CD2 3.42Å; V700-F704 PolarHBondContact O-N 3.5Å | ||
| 701 | I | 41.9 | Very low | 51.3 | Low | 67 Ų | 67 | 89.1 Ų | 89.1 | 34% | 0.344 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -41.2 | -172.7 | -58.9 | 176.2 | 0 | 0 | 0 | 112.4 | K670 N699 I703 F704 N705 | K670-I701 HydrophobicContact CD-CD1 4.27Å; N699-I701 PolarHBondContact O-N 3.19Å; I701-I703 PolarHBondContact O-N 3.09Å; I701-F704 PolarHBondContact O-N 2.93Å; I701-N705 VanDerWaalsContact CG2-ND2 3.34Å; I701-N705 WeakPolarHBondContact CG2-ND2 3.42Å; I701-N705 VanDerWaalsContact O-CB 3.3Å; I701-N705 WeakPolarHBondContact O-CB 3.33Å; I701-N705 PolarHBondContact O-N 2.9Å |
| 702 | D | 44.7 | Very low | 49.6 | Very low | 87 Ų | 87 | 91.1 Ų | 91.1 | 47% | 0.465 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.5 | -20.1 | -176.6 | -61.5 | -38.9 | 0 | 0 | 0 | 113.7 | N699 V700 N706 | N699-D702 WeakPolarHBondContact CB-OD2 3.38Å; N699-D702 PolarHBondContact ND2-OD2 2.85Å; V700-D702 PolarHBondContact O-N 2.89Å; D702-N706 PolarHBondContact O-ND2 3.3Å |
| 703 | I | 42.3 | Very low | 47.7 | Very low | 93 Ų | 93 | 92.7 Ų | 92.7 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -89.7 | -41.2 | 176.9 | -63.6 | 173.3 | 0 | 0 | 0 | 110.6 | V700 I701 T707 | V700-I703 PolarHBondContact O-N 3.27Å; I701-I703 PolarHBondContact O-N 3.09Å; I703-T707 PolarHBondContact O-OG1 3.31Å |
| 704 | F | 43.3 | Very low | 46.5 | Very low | 117 Ų | 117 | 100 Ų | 100 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.4 | -38.8 | 178.8 | -83.4 | -94.5 | 0 | 0 | 0 | 112.7 | V700 I701 N706 T707 L713 | V700-F704 HydrophobicContact CG1-CD2 3.51Å; V700-F704 HydrophobicContact CG1-CE2 3.6Å; V700-F704 WeakPolarHBondContact O-CD2 3.42Å; V700-F704 PolarHBondContact O-N 3.5Å; I701-F704 PolarHBondContact O-N 2.93Å; F704-N706 PolarHBondContact O-N 3.17Å; F704-T707 PolarHBondContact O-N 3.36Å; F704-T707 PolarHBondContact O-OG1 3.28Å; F704-L713 HydrophobicContact CE1-CD2 4.14Å; F704-L713 HydrophobicContact CZ-CD2 4.38Å |
| 705 | N | 43.9 | Very low | 45.5 | Very low | 125 Ų | 125 | 98.3 Ų | 98.3 | 67% | 0.668 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -22.1 | 179.9 | -73.7 | 8.1 | 0 | 0 | 0 | 113.4 | I701 | I701-N705 VanDerWaalsContact CG2-ND2 3.34Å; I701-N705 WeakPolarHBondContact CG2-ND2 3.42Å; I701-N705 VanDerWaalsContact O-CB 3.3Å; I701-N705 WeakPolarHBondContact O-CB 3.33Å; I701-N705 PolarHBondContact O-N 2.9Å |
| 706 | N | 42.6 | Very low | 44.6 | Very low | 137 Ų | 137 | 100.3 Ų | 100.3 | 73% | 0.733 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 0 | 178.8 | -80.1 | -58.1 | 0 | 0 | 0 | 114.2 | D702 F704 | D702-N706 PolarHBondContact O-ND2 3.3Å; F704-N706 PolarHBondContact O-N 3.17Å |
| 707 | T | 40.2 | Very low | 44.2 | Very low | 68 Ų | 68 | 107.7 Ų | 107.7 | 42% | 0.417 | 55% | 0.55 | S | S | . | . | trans | -116 | 72.3 | 179 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | I703 F704 N709 | I703-T707 PolarHBondContact O-OG1 3.31Å; F704-T707 PolarHBondContact O-N 3.36Å; F704-T707 PolarHBondContact O-OG1 3.28Å; T707-N709 PolarHBondContact O-N 2.93Å | ||
| 708 | G | 38.3 | Very low | 44.1 | Very low | 82 Ų | 82 | 109.1 Ų | 109.1 | 85% | 0.845 | 58% | 0.575 | S | S | * | * | trans | -67.8 | 26.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 709 | N | 38.4 | Very low | 44.3 | Very low | 112 Ų | 112 | 113.1 Ų | 113.1 | 60% | 0.599 | 59% | 0.592 | S | S | * | * | trans | -139.9 | 114.8 | 179.4 | -101 | -41.9 | 0 | 0 | 0 | 110.5 | T707 R711 | T707-N709 PolarHBondContact O-N 2.93Å; N709-R711 PolarHBondContact O-N 2.91Å | ||
| 710 | H | 43.5 | Very low | 44.9 | Very low | 183 Ų | 183 | 111.7 Ų | 111.7 | 85% | 0.847 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -3.8 | -176.3 | -92 | -79.2 | 0 | 0 | 0 | 116 | ||
| 711 | R | 44.1 | Very low | 46.2 | Very low | 226 Ų | 226 | 112.9 Ų | 112.9 | 85% | 0.853 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -25.3 | -174.3 | -65.3 | -174.9 | 178.4 | -177.4 | 0.1 | 114.3 | N709 L713 | N709-R711 PolarHBondContact O-N 2.91Å; R711-L713 VanDerWaalsContact C-N 3.29Å; R711-L713 PolarHBondContact O-N 2.81Å |
| 712 | D | 44.9 | Very low | 48.1 | Very low | 83 Ų | 83 | 109.8 Ų | 109.8 | 44% | 0.444 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -77.5 | -10 | -170.2 | -67.7 | -45 | 0 | 0 | 0 | 114.9 | Q714 S715 | D712-Q714 PolarHBondContact O-N 3.21Å; D712-Q714 VanDerWaalsContact O-N 3.1Å; D712-S715 WeakPolarHBondContact O-CB 3.41Å; D712-S715 PolarHBondContact O-N 3.19Å; D712-S715 PolarHBondContact O-OG 3.06Å |
| 713 | L | 42.8 | Very low | 49.7 | Very low | 95 Ų | 95 | 107.8 Ų | 107.8 | 50% | 0.497 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -55 | -28.8 | -178.8 | -89.6 | 158.9 | 0 | 0 | 0 | 114.3 | F704 R711 I716 | F704-L713 HydrophobicContact CE1-CD2 4.14Å; F704-L713 HydrophobicContact CZ-CD2 4.38Å; R711-L713 VanDerWaalsContact C-N 3.29Å; R711-L713 PolarHBondContact O-N 2.81Å; L713-I716 HydrophobicContact CD2-CD1 4.35Å |
| 714 | Q | 45.8 | Very low | 51.8 | Low | 173 Ų | 173 | 103.4 Ų | 103.4 | 81% | 0.808 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -72.7 | -27.3 | 177.1 | -68.4 | -171.4 | -8.7 | 0 | 0 | 113.3 | D712 I716 | D712-Q714 PolarHBondContact O-N 3.21Å; D712-Q714 VanDerWaalsContact O-N 3.1Å; Q714-I716 PolarHBondContact O-N 2.95Å |
| 715 | S | 46 | Very low | 53.5 | Low | 74 Ų | 74 | 98.8 Ų | 98.8 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -67.6 | -20.9 | -178.2 | 73 | 0 | 0 | 0 | 0 | 113.9 | D712 R717 | D712-S715 WeakPolarHBondContact O-CB 3.41Å; D712-S715 PolarHBondContact O-N 3.19Å; D712-S715 PolarHBondContact O-OG 3.06Å; S715-R717 VanDerWaalsContact C-N 3.31Å; S715-R717 PolarHBondContact O-N 3.06Å |
| 716 | I | 47 | Very low | 55.2 | Low | 52 Ų | 52 | 93 Ų | 93 | 27% | 0.267 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -72.8 | -23.5 | -167.5 | -59.9 | 178.5 | 0 | 0 | 0 | 112.2 | L713 Q714 G718 K719 Y763 | L713-I716 HydrophobicContact CD2-CD1 4.35Å; Q714-I716 PolarHBondContact O-N 2.95Å; I716-G718 PolarHBondContact O-N 3.16Å; I716-K719 PolarHBondContact O-N 3.08Å; I716-Y763 HydrophobicContact CG2-CE1 4.09Å |
| 717 | R | 46.8 | Very low | 56.8 | Low | 216 Ų | 216 | 90 Ų | 90 | 82% | 0.815 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -58.1 | -20.9 | -177.3 | -75.4 | -175.5 | 170.8 | -176.7 | -2.3 | 115 | S715 | S715-R717 VanDerWaalsContact C-N 3.31Å; S715-R717 PolarHBondContact O-N 3.06Å |
| 718 | G | 49.7 | Very low | 58.4 | Low | 75 Ų | 75 | 88.2 Ų | 88.2 | 77% | 0.773 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -91.3 | -2.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | I716 | I716-G718 PolarHBondContact O-N 3.16Š|
| 719 | K | 54.6 | Low | 59.7 | Low | 141 Ų | 141 | 88.1 Ų | 88.1 | 61% | 0.613 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -90.3 | 152 | -175.2 | -67.8 | 179.9 | -179.4 | 174.4 | 0 | 112.5 | I716 | I716-K719 PolarHBondContact O-N 3.08Š|
| 720 | K | 57.2 | Low | 60.4 | Low | 89 Ų | 89 | 91.6 Ų | 91.6 | 39% | 0.387 | 45% | 0.449 | S | S | . | . | trans | -45.7 | 146.8 | -168.8 | -73.1 | -172.9 | 176.1 | -175.9 | 0 | 114.6 | S739 Y828 | K720-S739 PolarHBondContact NZ-OG 2.74Å; K720-Y828 PolarHBondContact NZ-OH 3.46Å | ||
| 721 | Q | 72.3 | Confident | 60.9 | Low | 76 Ų | 76 | 85 Ų | 85 | 36% | 0.355 | 42% | 0.424 | S | S | . | . | trans | -104.4 | -33.9 | -166.9 | -81.9 | -168.6 | 20.4 | 0 | 0 | 114.3 | R760 K761 E826 | Q721-R760 VanDerWaalsContact CB-CZ 3.49Å; Q721-R760 VanDerWaalsContact CD-NH2 3.35Å; Q721-R760 WeakPolarHBondContact O-CA 3.44Å; Q721-R760 WeakPolarHBondContact O-CD 3.49Å; Q721-R760 PolarHBondContact O-NH1 3.06Å; Q721-R760 VanDerWaalsContact OE1-CZ 3.26Å; Q721-K761 PolarHBondContact O-N 3.2Å; Q721-K761 VanDerWaalsContact O-N 3.17Å; Q721-E826 WeakPolarHBondContact CB-OE2 3.05Å; Q721-E826 PolarHBondContact N-OE1 3.35Å; Q721-E826 PolarHBondContact N-OE2 3.16Å | ||
| 722 | L | 81.6 | Confident | 61.1 | Low | 1 Ų | 1 | 79.8 Ų | 79.8 | 1% | 0.005 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 137.1 | 175.9 | -172.6 | 69.6 | 0 | 0 | 0 | 111.8 | I759 P775 E826 Y828 | L722-I759 WeakPolarHBondContact CA-O 3.42Å; L722-P775 HydrophobicContact CD1-CB 3.69Å; L722-E826 HydrophobicContact CB-CB 4.01Å; L722-E826 WeakPolarHBondContact CB-OE2 3.05Å; L722-E826 HydrophobicContact CD2-CB 3.98Å; L722-E826 WeakPolarHBondContact CD2-O 3.34Å; L722-E826 PolarHBondContact N-OE2 2.85Å; L722-Y828 HydrophobicContact CB-CE2 4.35Å; L722-Y828 HydrophobicContact CD2-CD2 4.04Å; L722-Y828 HydrophobicContact CD2-CE2 4.25Å; L722-Y828 HydrophobicContact CG-CD2 4.33Å; L722-Y828 HydrophobicContact CG-CE2 4.24Å; L722-Y828 WeakPolarHBondContact O-CE2 3.23Å |
| 723 | Y | 78.7 | Confident | 61.6 | Low | 46 Ų | 46 | 81.1 Ų | 81.1 | 18% | 0.18 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 147.8 | 173.5 | -62.8 | -98.4 | 0 | 0 | 0 | 108.8 | E736 I759 K761 | Y723-E736 HydrophobicContact CD1-CG 4.34Å; Y723-E736 WeakPolarHBondContact CD1-OE1 3.28Å; Y723-I759 PolarHBondContact N-O 3.34Å; Y723-I759 PolarHBondContact O-N 3.18Å; Y723-K761 HydrophobicContact CE2-CB 4.18Å; Y723-K761 HydrophobicContact CE2-CD 4.33Å |
| 724 | F | 85.8 | Confident | 62.6 | Low | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 123.8 | 173.3 | 176.9 | -148.8 | 0 | 0 | 0 | 108.2 | I726 V737 L756 E757 L777 L819 C821 Y828 | F724-I726 HydrophobicContact CE1-CD1 4.33Å; F724-I726 HydrophobicContact CE2-CG1 4.35Å; F724-I726 HydrophobicContact CZ-CD1 4.14Å; F724-I726 HydrophobicContact CZ-CG1 4.25Å; F724-V737 HydrophobicContact CB-CB 4.02Å; F724-V737 HydrophobicContact CB-CG2 4.45Å; F724-V737 HydrophobicContact CD1-CB 3.74Å; F724-V737 HydrophobicContact CD1-CG1 3.9Å; F724-V737 HydrophobicContact CD1-CG2 3.69Å; F724-V737 HydrophobicContact CE1-CG2 4.16Å; F724-V737 HydrophobicContact CG-CB 4.15Å; F724-V737 HydrophobicContact CG-CG2 4.12Å; F724-V737 WeakPolarHBondContact O-CB 3.44Å; F724-V737 PolarHBondContact O-N 3.46Å; F724-L756 HydrophobicContact CE2-CB 4.24Å; F724-L756 HydrophobicContact CE2-CD2 4.14Å; F724-L756 HydrophobicContact CZ-CD2 4.22Å; F724-E757 CarbonylContact C-O 3.56Å; F724-E757 WeakPolarHBondContact CA-O 3.36Å; F724-L777 HydrophobicContact CE2-CD1 3.87Å; F724-L777 HydrophobicContact CZ-CD1 4.3Å; F724-L819 HydrophobicContact CZ-CB 4.16Å; F724-L819 HydrophobicContact CZ-CD1 4.42Å; F724-C821 HydrophobicContact CB-CB 3.78Å; F724-C821 HydrophobicContact CD1-CB 3.82Å; F724-C821 HydrophobicContact CD2-CB 3.64Å; F724-C821 HydrophobicContact CE1-CB 4.29Å; F724-C821 HydrophobicContact CE2-CB 4.14Å; F724-C821 HydrophobicContact CG-CB 3.48Å; F724-C821 VanDerWaalsContact CG-CB 3.48Å; F724-C821 HydrophobicContact CZ-CB 4.45Å; F724-Y828 HydrophobicContact CB-CD2 4.18Å; F724-Y828 HydrophobicContact CB-CG 4.43Å |
| 725 | V | 80.5 | Confident | 63.6 | Low | 21 Ų | 21 | 77.8 Ų | 77.8 | 13% | 0.127 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 139.4 | -174.2 | -173.5 | 0 | 0 | 0 | 0 | 110 | F734 Y735 L756 E757 I759 | V725-F734 HydrophobicContact CG1-CB 3.93Å; V725-Y735 CarbonylContact C-O 3.54Å; V725-Y735 WeakPolarHBondContact CA-O 3.37Å; V725-L756 CarbonylContact O-C 3.57Å; V725-L756 WeakPolarHBondContact O-CA 3.37Å; V725-E757 HydrophobicContact CB-CB 4.18Å; V725-E757 PolarHBondContact N-O 2.8Å; V725-E757 PolarHBondContact O-N 2.97Å; V725-I759 HydrophobicContact CG2-CD1 4.01Å |
| 726 | I | 79 | Confident | 64.9 | Low | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.01 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121.6 | 176.6 | -55.4 | -170.1 | 0 | 0 | 0 | 109.1 | F724 L728 Y735 V737 I746 I754 L756 I830 | F724-I726 HydrophobicContact CE1-CD1 4.33Å; F724-I726 HydrophobicContact CE2-CG1 4.35Å; F724-I726 HydrophobicContact CZ-CD1 4.14Å; F724-I726 HydrophobicContact CZ-CG1 4.25Å; I726-L728 HydrophobicContact CG2-CD2 4.31Å; I726-Y735 PolarHBondContact N-O 2.85Å; I726-Y735 PolarHBondContact O-N 3.22Å; I726-V737 HydrophobicContact CD1-CG2 3.95Å; I726-V737 HydrophobicContact CG1-CG2 3.97Å; I726-I746 HydrophobicContact CD1-CD1 4.02Å; I726-I754 HydrophobicContact CG2-CG2 3.7Å; I726-L756 HydrophobicContact CB-CD2 4.3Å; I726-L756 HydrophobicContact CD1-CD2 4.06Å; I726-L756 HydrophobicContact CG1-CD2 3.73Å; I726-L756 HydrophobicContact CG2-CD2 4.08Å; I726-I830 HydrophobicContact CD1-CD1 3.85Å; I726-I830 HydrophobicContact CD1-CG2 4.49Å |
| 727 | E | 76.6 | Confident | 66 | Low | 74 Ų | 74 | 76.4 Ų | 76.4 | 35% | 0.346 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 133.8 | -176.7 | 164.3 | -174.1 | -146 | 0 | 0 | 109.1 | I754 S755 K806 | E727-I754 WeakPolarHBondContact O-CA 3.44Å; E727-S755 PolarHBondContact N-O 3.04Å; E727-S755 PolarHBondContact O-N 2.93Å; E727-S755 WeakPolarHBondContact OE2-CB 3.39Å; E727-S755 PolarHBondContact OE2-OG 2.66Å; E727-K806 IonicContact OE2-NZ 2.8Å; E727-K806 PolarHBondContact OE2-NZ 3.43Å |
| 728 | L | 73 | Confident | 67 | Low | 32 Ų | 32 | 68.4 Ų | 68.4 | 17% | 0.168 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 137.2 | -174 | -59.3 | -179.9 | 0 | 0 | 0 | 112.6 | I726 N730 S731 Y735 L748 T752 I754 | I726-L728 HydrophobicContact CG2-CD2 4.31Å; L728-N730 PolarHBondContact O-N 2.87Å; L728-S731 WeakPolarHBondContact O-CB 3.34Å; L728-S731 PolarHBondContact O-N 2.95Å; L728-S731 PolarHBondContact O-OG 3.15Å; L728-Y735 HydrophobicContact CD1-CE2 3.97Å; L728-Y735 HydrophobicContact CG-CE2 4.41Å; L728-L748 HydrophobicContact CD1-CD2 3.9Å; L728-L748 HydrophobicContact CD2-CD1 4.1Å; L728-L748 HydrophobicContact CD2-CD2 4.26Å; L728-T752 HydrophobicContact CD2-CG2 4.21Å; L728-I754 HydrophobicContact CD2-CB 4.48Å; L728-I754 HydrophobicContact CD2-CG1 3.95Å; L728-I754 HydrophobicContact CD2-CG2 4.29Å |
| 729 | N | 66.3 | Low | 67.8 | Low | 79 Ų | 79 | 68.2 Ų | 68.2 | 42% | 0.422 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 28 | 73.1 | 159.2 | -95.1 | 10.9 | 0 | 0 | 0 | 117.2 | S731 T752 F753 | N729-S731 PolarHBondContact O-N 3.41Å; N729-T752 HydrophobicContact CB-CG2 4.45Å; N729-F753 PolarHBondContact N-O 3.08Å; N729-F753 WeakPolarHBondContact OD1-CB 3.45Å; N729-F753 WeakPolarHBondContact OD1-CD2 3.3Å; N729-F753 PolarHBondContact OD1-N 2.94Å |
| 730 | N | 51.3 | Low | 68.4 | Low | 186 Ų | 186 | 69.6 Ų | 69.6 | 100% | 0.995 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 21.5 | 175.5 | -75.7 | 9.8 | 0 | 0 | 0 | 115.5 | L728 | L728-N730 PolarHBondContact O-N 2.87Š|
| 731 | S | 54.6 | Low | 68.8 | Low | 45 Ų | 45 | 69 Ų | 69 | 32% | 0.315 | 35% | 0.352 | S | S | . | . | trans | -96.6 | 148.4 | 179.9 | 72.9 | 0 | 0 | 0 | 0 | 110.3 | L728 N729 Q733 | L728-S731 WeakPolarHBondContact O-CB 3.34Å; L728-S731 PolarHBondContact O-N 2.95Å; L728-S731 PolarHBondContact O-OG 3.15Å; N729-S731 PolarHBondContact O-N 3.41Å; S731-Q733 PolarHBondContact O-N 3.27Å; S731-Q733 PolarHBondContact OG-N 3.07Å | ||
| 732 | S | 49.1 | Very low | 68.9 | Low | 116 Ų | 116 | 67.8 Ų | 67.8 | 81% | 0.811 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -72.9 | 14.1 | 170.1 | 50.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 733 | Q | 54.9 | Low | 68.7 | Low | 110 Ų | 110 | 73.3 Ų | 73.3 | 51% | 0.514 | 38% | 0.377 | S | S | . | . | trans | -99.4 | 102.2 | -179.5 | -66.7 | -175.9 | -16.8 | 0 | 0 | 110.5 | S731 Y735 | S731-Q733 PolarHBondContact O-N 3.27Å; S731-Q733 PolarHBondContact OG-N 3.07Å; Q733-Y735 HydrophobicContact CB-CE2 4.2Å; Q733-Y735 PolarHBondContact OE1-OH 3.04Å | ||
| 734 | F | 63.7 | Low | 68.4 | Low | 154 Ų | 154 | 71.5 Ų | 71.5 | 68% | 0.675 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 139 | 166.8 | 49.1 | -89.7 | 0 | 0 | 0 | 109.4 | V725 | V725-F734 HydrophobicContact CG1-CB 3.93Å |
| 735 | Y | 67.7 | Low | 67.9 | Low | 44 Ų | 44 | 74.2 Ų | 74.2 | 17% | 0.173 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 109.5 | -177.6 | -63.6 | -70.9 | 0 | 0 | 0 | 110.6 | V725 I726 L728 Q733 V737 V919 F921 | V725-Y735 CarbonylContact C-O 3.54Å; V725-Y735 WeakPolarHBondContact CA-O 3.37Å; I726-Y735 PolarHBondContact N-O 2.85Å; I726-Y735 PolarHBondContact O-N 3.22Å; L728-Y735 HydrophobicContact CD1-CE2 3.97Å; L728-Y735 HydrophobicContact CG-CE2 4.41Å; Q733-Y735 HydrophobicContact CB-CE2 4.2Å; Q733-Y735 PolarHBondContact OE1-OH 3.04Å; Y735-V737 PolarHBondContact O-N 2.81Å; Y735-V919 HydrophobicContact CE1-CG1 3.71Å; Y735-V919 HydrophobicContact CE1-CG2 4.29Å; Y735-F921 AromaticContact CD1-CE2 3.48Å; Y735-F921 HydrophobicContact CD1-CE2 3.48Å; Y735-F921 VanDerWaalsContact CD1-CE2 3.48Å; Y735-F921 AromaticContact CD1-CZ 3.75Å; Y735-F921 HydrophobicContact CD1-CZ 3.75Å; Y735-F921 HydrophobicContact CD2-CZ 4.28Å; Y735-F921 AromaticContact CE1-CE2 3.9Å; Y735-F921 HydrophobicContact CE1-CE2 3.9Å; Y735-F921 HydrophobicContact CE1-CZ 4.42Å; Y735-F921 AromaticContact CG-CE2 3.9Å; Y735-F921 HydrophobicContact CG-CE2 3.9Å; Y735-F921 AromaticContact CG-CZ 3.64Å; Y735-F921 HydrophobicContact CG-CZ 3.64Å |
| 736 | E | 72.4 | Confident | 67.5 | Low | 97 Ų | 97 | 74 Ų | 74 | 45% | 0.453 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 112.6 | 173.5 | -169.4 | -172.9 | 140.3 | 0 | 0 | 110.2 | Y723 N738 | Y723-E736 HydrophobicContact CD1-CG 4.34Å; Y723-E736 WeakPolarHBondContact CD1-OE1 3.28Å; E736-N738 PolarHBondContact O-N 2.87Å; E736-N738 PolarHBondContact O-ND2 3.27Å |
| 737 | V | 70.2 | Confident | 66.9 | Low | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.006 | 39% | 0.389 | C | S | . | . | trans | -74.6 | 77 | 175.9 | -174.6 | 0 | 0 | 0 | 0 | 109 | F724 I726 Y735 Y828 I830 | F724-V737 HydrophobicContact CB-CB 4.02Å; F724-V737 HydrophobicContact CB-CG2 4.45Å; F724-V737 HydrophobicContact CD1-CB 3.74Å; F724-V737 HydrophobicContact CD1-CG1 3.9Å; F724-V737 HydrophobicContact CD1-CG2 3.69Å; F724-V737 HydrophobicContact CE1-CG2 4.16Å; F724-V737 HydrophobicContact CG-CB 4.15Å; F724-V737 HydrophobicContact CG-CG2 4.12Å; F724-V737 WeakPolarHBondContact O-CB 3.44Å; F724-V737 PolarHBondContact O-N 3.46Å; I726-V737 HydrophobicContact CD1-CG2 3.95Å; I726-V737 HydrophobicContact CG1-CG2 3.97Å; Y735-V737 PolarHBondContact O-N 2.81Å; V737-Y828 HydrophobicContact CG1-CD1 4.18Å; V737-Y828 HydrophobicContact CG1-CG 4.35Å; V737-Y828 VanDerWaalsContact O-CD1 3.3Å; V737-Y828 WeakPolarHBondContact O-CD1 3.5Å; V737-Y828 VanDerWaalsContact O-CE1 3.25Å; V737-Y828 WeakPolarHBondContact O-CE1 3.5Å; V737-I830 HydrophobicContact CB-CD1 4.23Å; V737-I830 HydrophobicContact CG1-CD1 3.63Å; V737-I830 HydrophobicContact CG1-CG1 4.13Å; V737-I830 HydrophobicContact CG2-CD1 3.49Å; V737-I830 VanDerWaalsContact CG2-CD1 3.49Å | ||
| 738 | N | 68.1 | Low | 66.6 | Low | 48 Ų | 48 | 72.2 Ų | 72.2 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | trans | -72.1 | -179.4 | 168.1 | 65.6 | 59.2 | 0 | 0 | 0 | 111 | E736 H740 Y741 N742 | E736-N738 PolarHBondContact O-N 2.87Å; E736-N738 PolarHBondContact O-ND2 3.27Å; N738-H740 PolarHBondContact O-N 2.88Å; N738-H740 VanDerWaalsContact O-N 3.11Å; N738-H740 WeakPolarHBondContact OD1-CB 3.49Å; N738-H740 PolarHBondContact OD1-N 3.38Å; N738-Y741 WeakPolarHBondContact ND2-CE2 3.28Å; N738-Y741 PolarHBondContact O-N 3.36Å; N738-Y741 VanDerWaalsContact O-N 3.08Å; N738-N742 PolarHBondContact O-N 3.08Å | ||
| 739 | S | 65.5 | Low | 66.4 | Low | 71 Ų | 71 | 72.4 Ų | 72.4 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -8.6 | -175.2 | 33.9 | 0 | 0 | 0 | 0 | 115.7 | K720 | K720-S739 PolarHBondContact NZ-OG 2.74Š|
| 740 | H | 67.5 | Low | 66.5 | Low | 170 Ų | 170 | 71 Ų | 71 | 79% | 0.787 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -21.2 | 171.1 | -65.1 | -35.2 | 0 | 0 | 0 | 113.4 | N738 | N738-H740 PolarHBondContact O-N 2.88Å; N738-H740 VanDerWaalsContact O-N 3.11Å; N738-H740 WeakPolarHBondContact OD1-CB 3.49Å; N738-H740 PolarHBondContact OD1-N 3.38Å |
| 741 | Y | 65.6 | Low | 67.4 | Low | 76 Ų | 76 | 65.4 Ų | 65.4 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 1 | 176.8 | -57.3 | -53.5 | 0 | 0 | 0 | 113.2 | N738 N743 S744 F921 | N738-Y741 WeakPolarHBondContact ND2-CE2 3.28Å; N738-Y741 PolarHBondContact O-N 3.36Å; N738-Y741 VanDerWaalsContact O-N 3.08Å; Y741-N743 PolarHBondContact O-N 2.87Å; Y741-S744 WeakPolarHBondContact O-CB 3.28Å; Y741-S744 PolarHBondContact O-N 2.82Å; Y741-S744 VanDerWaalsContact O-N 3.13Å; Y741-S744 PolarHBondContact O-OG 3.39Å; Y741-F921 HydrophobicContact CD1-CB 3.7Å; Y741-F921 AromaticContact CD1-CD1 3.91Å; Y741-F921 HydrophobicContact CD1-CD1 3.91Å; Y741-F921 HydrophobicContact CD1-CD2 4.1Å; Y741-F921 AromaticContact CD1-CG 3.61Å; Y741-F921 HydrophobicContact CD1-CG 3.61Å; Y741-F921 HydrophobicContact CE1-CB 3.62Å; Y741-F921 HydrophobicContact CE1-CD1 4.37Å; Y741-F921 AromaticContact CE1-CD2 3.72Å; Y741-F921 HydrophobicContact CE1-CD2 3.72Å; Y741-F921 AromaticContact CE1-CG 3.63Å; Y741-F921 HydrophobicContact CE1-CG 3.63Å; Y741-F921 HydrophobicContact CG-CD1 4.31Å; Y741-F921 HydrophobicContact CG-CG 4.35Å |
| 742 | N | 74.1 | Confident | 68.1 | Low | 50 Ų | 50 | 63.9 Ų | 63.9 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 128.1 | 173.4 | -157.6 | -3.8 | 0 | 0 | 0 | 110.2 | N738 S744 Q827 Y828 V829 | N738-N742 PolarHBondContact O-N 3.08Å; N742-S744 VanDerWaalsContact C-N 3.34Å; N742-Q827 PolarHBondContact ND2-O 2.91Å; N742-Y828 HydrophobicContact CB-CD1 4.13Å; N742-Y828 WeakPolarHBondContact OD1-CA 3.16Å; N742-V829 PolarHBondContact OD1-N 2.88Å |
| 743 | N | 78.5 | Confident | 69.3 | Low | 117 Ų | 117 | 63.4 Ų | 63.4 | 63% | 0.626 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 18.3 | -168.5 | -51.9 | -63.2 | 0 | 0 | 0 | 116.1 | Y741 V829 | Y741-N743 PolarHBondContact O-N 2.87Å; N743-V829 WeakPolarHBondContact CA-O 3.34Å; N743-V829 PolarHBondContact N-O 3.12Å |
| 744 | S | 73.1 | Confident | 70.4 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 157.3 | 175.6 | 73.1 | 0 | 0 | 0 | 0 | 114 | Y741 N742 K831 | Y741-S744 WeakPolarHBondContact O-CB 3.28Å; Y741-S744 PolarHBondContact O-N 2.82Å; Y741-S744 VanDerWaalsContact O-N 3.13Å; Y741-S744 PolarHBondContact O-OG 3.39Å; N742-S744 VanDerWaalsContact C-N 3.34Å; S744-K831 PolarHBondContact O-N 2.84Å |
| 745 | E | 73.9 | Confident | 71.2 | Confident | 57 Ų | 57 | 51.4 Ų | 51.4 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 101.7 | 178.2 | -82.3 | 173.2 | -174.7 | 0 | 0 | 110.8 | K831 | E745-K831 HydrophobicContact CG-CB 3.95Å; E745-K831 HydrophobicContact CG-CD 3.95Å; E745-K831 HydrophobicContact CG-CG 4.33Å; E745-K831 WeakPolarHBondContact OE1-CE 3.32Å; E745-K831 IonicContact OE1-NZ 2.66Å; E745-K831 PolarHBondContact OE1-NZ 3.28Å |
| 746 | I | 72 | Confident | 72 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 9% | 0.092 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 127.7 | 178 | -46.3 | 176.6 | 0 | 0 | 0 | 109.5 | I726 L748 I830 K831 I832 H833 F921 | I726-I746 HydrophobicContact CD1-CD1 4.02Å; I746-L748 HydrophobicContact CG2-CD1 4.49Å; I746-L748 HydrophobicContact CG2-CD2 3.9Å; I746-L748 HydrophobicContact CG2-CG 3.84Å; I746-I830 HydrophobicContact CD1-CD1 4.2Å; I746-I830 HydrophobicContact CD1-CG2 3.63Å; I746-I830 HydrophobicContact CG1-CG2 3.85Å; I746-K831 PolarHBondContact N-O 3.38Å; I746-I832 HydrophobicContact CB-CG1 4.37Å; I746-I832 HydrophobicContact CD1-CG1 4.42Å; I746-I832 WeakPolarHBondContact O-CA 3.45Å; I746-H833 PolarHBondContact O-N 2.88Å; I746-F921 HydrophobicContact CD1-CD1 4.23Å; I746-F921 HydrophobicContact CD1-CE1 3.64Å; I746-F921 HydrophobicContact CG1-CD1 3.94Å; I746-F921 HydrophobicContact CG1-CE1 3.87Å |
| 747 | S | 67.3 | Low | 72.6 | Confident | 21 Ų | 21 | 45.6 Ų | 45.6 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 118.9 | 166.7 | -71.6 | 0 | 0 | 0 | 0 | 111 | H833 I923 | S747-H833 CarbonylContact C-O 3.55Å; S747-H833 WeakPolarHBondContact CA-O 3.26Å; S747-I923 WeakPolarHBondContact OG-CG2 3.39Å |
| 748 | L | 70.8 | Confident | 73.4 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 160.2 | 179.9 | -67.9 | 178.4 | 0 | 0 | 0 | 112.6 | L728 I746 I754 L811 I832 H833 T834 F835 | L728-L748 HydrophobicContact CD1-CD2 3.9Å; L728-L748 HydrophobicContact CD2-CD1 4.1Å; L728-L748 HydrophobicContact CD2-CD2 4.26Å; I746-L748 HydrophobicContact CG2-CD1 4.49Å; I746-L748 HydrophobicContact CG2-CD2 3.9Å; I746-L748 HydrophobicContact CG2-CG 3.84Å; L748-I754 HydrophobicContact CD1-CD1 3.71Å; L748-I754 HydrophobicContact CD1-CG1 3.92Å; L748-L811 HydrophobicContact CB-CD1 4.44Å; L748-L811 HydrophobicContact CD1-CD1 4.07Å; L748-I832 HydrophobicContact CB-CG2 4.4Å; L748-I832 HydrophobicContact CD1-CD1 4.08Å; L748-I832 HydrophobicContact CD1-CG2 3.85Å; L748-I832 HydrophobicContact CG-CG2 4.24Å; L748-H833 PolarHBondContact N-O 2.88Å; L748-T834 CarbonylContact O-C 3.55Å; L748-T834 VanDerWaalsContact O-CA 3.27Å; L748-T834 WeakPolarHBondContact O-CA 3.31Å; L748-F835 WeakPolarHBondContact O-CD1 3.32Å; L748-F835 WeakPolarHBondContact O-CE1 3.42Å; L748-F835 PolarHBondContact O-N 2.88Å |
| 749 | V | 67.8 | Low | 74.1 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 22% | 0.218 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 141.7 | 177.2 | 167.4 | 0 | 0 | 0 | 0 | 110.6 | T752 F835 Q837 | V749-T752 WeakPolarHBondContact O-CB 3.44Å; V749-T752 PolarHBondContact O-N 2.88Å; V749-T752 PolarHBondContact O-OG1 2.91Å; V749-F835 HydrophobicContact CG2-CE1 4.13Å; V749-F835 HydrophobicContact CG2-CE2 3.78Å; V749-F835 HydrophobicContact CG2-CZ 3.51Å; V749-Q837 HydrophobicContact CG1-CG 3.8Å; V749-Q837 HydrophobicContact CG2-CG 4.09Å |
| 750 | Q | 69.5 | Low | 74.9 | Confident | 50 Ų | 50 | 41.3 Ų | 41.3 | 23% | 0.234 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 140 | 169.7 | -74 | 167.8 | -4.6 | 0 | 0 | 111.2 | F835 | Q750-F835 WeakPolarHBondContact CG-O 3.44Å; Q750-F835 PolarHBondContact N-O 2.81Å |
| 751 | S | 69.7 | Low | 75.1 | Confident | 69 Ų | 69 | 35.1 Ų | 35.1 | 48% | 0.483 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 29.4 | -170.5 | -45.9 | 0 | 0 | 0 | 0 | 115 | L811 | S751-L811 PolarHBondContact N-O 3.17Š|
| 752 | T | 68.1 | Low | 75.1 | Confident | 12 Ų | 12 | 32.5 Ų | 32.5 | 7% | 0.074 | 17% | 0.171 | C | C | . | . | trans | -87.8 | 131.9 | 166.2 | -53.4 | 0 | 0 | 0 | 0 | 110.1 | L728 N729 V749 L811 | L728-T752 HydrophobicContact CD2-CG2 4.21Å; N729-T752 HydrophobicContact CB-CG2 4.45Å; V749-T752 WeakPolarHBondContact O-CB 3.44Å; V749-T752 PolarHBondContact O-N 2.88Å; V749-T752 PolarHBondContact O-OG1 2.91Å; T752-L811 WeakPolarHBondContact O-CB 3.37Å; T752-L811 PolarHBondContact O-N 2.94Å; T752-L811 VanDerWaalsContact O-N 3.16Å | ||
| 753 | F | 75.7 | Confident | 74.4 | Confident | 106 Ų | 106 | 35 Ų | 35 | 47% | 0.465 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 131.9 | 163.2 | -66.3 | -98 | 0 | 0 | 0 | 109.4 | N729 I809 H810 | N729-F753 PolarHBondContact N-O 3.08Å; N729-F753 WeakPolarHBondContact OD1-CB 3.45Å; N729-F753 WeakPolarHBondContact OD1-CD2 3.3Å; N729-F753 PolarHBondContact OD1-N 2.94Å; F753-I809 WeakPolarHBondContact CA-O 3.46Å; F753-H810 HydrophobicContact CD1-CB 4.2Å; F753-H810 AromaticContact CD1-CD2 3.54Å; F753-H810 AromaticContact CD2-CD2 3.71Å; F753-H810 HydrophobicContact CE1-CB 4.18Å; F753-H810 AromaticContact CE1-CD2 3.33Å; F753-H810 WeakPolarHBondContact CE1-CD2 3.12Å; F753-H810 AromaticContact CE1-CG 3.83Å; F753-H810 AromaticContact CE1-NE2 3.99Å; F753-H810 AromaticContact CE2-CD2 3.5Å; F753-H810 AromaticContact CE2-NE2 3.54Å; F753-H810 AromaticContact CG-CD2 3.73Å; F753-H810 AromaticContact CZ-CD2 3.32Å; F753-H810 WeakPolarHBondContact CZ-CD2 3.49Å; F753-H810 AromaticContact CZ-NE2 3.48Å; F753-H810 WeakPolarHBondContact CZ-NE2 3.29Å |
| 754 | I | 76.8 | Confident | 73.4 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 135.1 | 171.2 | -51.8 | 160 | 0 | 0 | 0 | 108.7 | I726 E727 L728 L748 L756 V808 I809 L811 I832 | I726-I754 HydrophobicContact CG2-CG2 3.7Å; E727-I754 WeakPolarHBondContact O-CA 3.44Å; L728-I754 HydrophobicContact CD2-CB 4.48Å; L728-I754 HydrophobicContact CD2-CG1 3.95Å; L728-I754 HydrophobicContact CD2-CG2 4.29Å; L748-I754 HydrophobicContact CD1-CD1 3.71Å; L748-I754 HydrophobicContact CD1-CG1 3.92Å; I754-L756 HydrophobicContact CG2-CD2 3.5Å; I754-L756 HydrophobicContact CG2-CG 3.95Å; I754-V808 CarbonylContact O-C 3.55Å; I754-V808 WeakPolarHBondContact O-CA 3.44Å; I754-I809 PolarHBondContact N-O 2.02Å; I754-I809 PolarHBondContact O-N 3.13Å; I754-L811 HydrophobicContact CD1-CD1 3.42Å; I754-L811 VanDerWaalsContact CD1-CD1 3.42Å; I754-L811 HydrophobicContact CD1-CD2 4.41Å; I754-L811 HydrophobicContact CD1-CG 4.03Å; I754-L811 HydrophobicContact CG1-CD1 4.06Å; I754-I832 HydrophobicContact CD1-CD1 3.49Å; I754-I832 VanDerWaalsContact CD1-CD1 3.49Å |
| 755 | S | 81.2 | Confident | 72.2 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 8% | 0.077 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 122.6 | 163.8 | 159 | 0 | 0 | 0 | 0 | 108.3 | E727 K806 | E727-S755 PolarHBondContact N-O 3.04Å; E727-S755 PolarHBondContact O-N 2.93Å; E727-S755 WeakPolarHBondContact OE2-CB 3.39Å; E727-S755 PolarHBondContact OE2-OG 2.66Å; S755-K806 WeakPolarHBondContact OG-CE 3.49Å; S755-K806 PolarHBondContact OG-NZ 2.89Å |
| 756 | L | 85.2 | Confident | 71.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.2 | 179.4 | -61.9 | -179.5 | 0 | 0 | 0 | 109.6 | F724 V725 I726 I754 L777 K806 K807 I809 L819 | F724-L756 HydrophobicContact CE2-CB 4.24Å; F724-L756 HydrophobicContact CE2-CD2 4.14Å; F724-L756 HydrophobicContact CZ-CD2 4.22Å; V725-L756 CarbonylContact O-C 3.57Å; V725-L756 WeakPolarHBondContact O-CA 3.37Å; I726-L756 HydrophobicContact CB-CD2 4.3Å; I726-L756 HydrophobicContact CD1-CD2 4.06Å; I726-L756 HydrophobicContact CG1-CD2 3.73Å; I726-L756 HydrophobicContact CG2-CD2 4.08Å; I754-L756 HydrophobicContact CG2-CD2 3.5Å; I754-L756 HydrophobicContact CG2-CG 3.95Å; L756-L777 HydrophobicContact CB-CD2 3.95Å; L756-K806 CarbonylContact O-C 3.52Å; L756-K806 WeakPolarHBondContact O-CA 3.5Å; L756-K807 WeakPolarHBondContact CB-O 3.2Å; L756-K807 PolarHBondContact N-O 3.29Å; L756-K807 PolarHBondContact O-N 3.48Å; L756-I809 HydrophobicContact CD1-CD1 3.53Å; L756-I809 HydrophobicContact CD1-CG1 4.26Å; L756-I809 HydrophobicContact CG-CD1 4.31Å; L756-L819 HydrophobicContact CD1-CD1 3.62Å; L756-L819 HydrophobicContact CD1-CD2 3.64Å; L756-L819 HydrophobicContact CD1-CG 4.18Å; L756-L819 HydrophobicContact CD2-CD1 3.66Å; L756-L819 HydrophobicContact CG-CD1 4.29Å |
| 757 | E | 84.7 | Confident | 70.6 | Confident | 19 Ų | 19 | 49.8 Ų | 49.8 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 115.3 | 178.5 | -39.6 | -165.4 | 136.7 | 0 | 0 | 111.3 | F724 V725 I759 K804 V805 K806 | F724-E757 CarbonylContact C-O 3.56Å; F724-E757 WeakPolarHBondContact CA-O 3.36Å; V725-E757 HydrophobicContact CB-CB 4.18Å; V725-E757 PolarHBondContact N-O 2.8Å; V725-E757 PolarHBondContact O-N 2.97Å; E757-I759 HydrophobicContact CB-CD1 3.96Å; E757-I759 HydrophobicContact CB-CG1 3.96Å; E757-K804 WeakPolarHBondContact OE1-CE 3.38Å; E757-K804 IonicContact OE1-NZ 2.83Å; E757-K804 PolarHBondContact OE1-NZ 3.48Å; E757-K804 WeakPolarHBondContact OE2-CE 3.48Å; E757-K804 IonicContact OE2-NZ 2.67Å; E757-K804 PolarHBondContact OE2-NZ 3.11Å; E757-V805 WeakPolarHBondContact CA-O 3.48Å; E757-K806 HydrophobicContact CG-CB 4.39Å; E757-K806 HydrophobicContact CG-CD 4.44Å; E757-K806 HydrophobicContact CG-CG 4.12Å; E757-K806 VanDerWaalsContact OE1-CD 3.28Å; E757-K806 WeakPolarHBondContact OE1-CD 3.45Å; E757-K806 WeakPolarHBondContact OE1-CE 3.24Å; E757-K806 IonicContact OE1-NZ 2.69Å; E757-K806 PolarHBondContact OE1-NZ 2.93Å |
| 758 | C | 87.5 | Confident | 70.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 109.5 | 176.8 | -170.4 | 0 | 0 | 0 | 0 | 108.5 | P775 E776 L777 K804 V805 C821 | C758-P775 WeakPolarHBondContact O-CG 3.43Å; C758-E776 PolarHBondContact SG-O 2.7Å; C758-L777 HydrophobicContact CB-CB 4.07Å; C758-L777 HydrophobicContact CB-CD1 4.28Å; C758-L777 HydrophobicContact CB-CD2 4.42Å; C758-L777 HydrophobicContact CB-CG 4.49Å; C758-K804 WeakPolarHBondContact O-CA 3.25Å; C758-V805 HydrophobicContact CB-CB 4.46Å; C758-V805 PolarHBondContact N-O 3.27Å; C758-V805 PolarHBondContact O-N 3.45Å; C758-C821 WeakPolarHBondContact CA-SG 3.33Å; C758-C821 HydrophobicContact CB-CB 3.85Å; C758-C821 WeakPolarHBondContact CB-SG 3.49Å; C758-C821 WeakPolarHBondContact SG-CA 3.45Å; C758-C821 WeakPolarHBondContact SG-CB 3.24Å; C758-C821 CovalentContact SG-SG 2.03Å; C758-C821 PolarHBondContact SG-SG 3.44Å |
| 759 | I | 82.2 | Confident | 69.4 | Low | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.1 | -161 | -45.2 | 174.5 | 0 | 0 | 0 | 111.8 | F698 L722 Y723 V725 E757 F803 K804 | F698-I759 HydrophobicContact CE2-CG2 3.62Å; F698-I759 HydrophobicContact CZ-CD1 4.49Å; F698-I759 HydrophobicContact CZ-CG2 3.66Å; L722-I759 WeakPolarHBondContact CA-O 3.42Å; Y723-I759 PolarHBondContact N-O 3.34Å; Y723-I759 PolarHBondContact O-N 3.18Å; V725-I759 HydrophobicContact CG2-CD1 4.01Å; E757-I759 HydrophobicContact CB-CD1 3.96Å; E757-I759 HydrophobicContact CB-CG1 3.96Å; I759-F803 CarbonylContact C-O 3.55Å; I759-F803 VanDerWaalsContact CA-O 3.27Å; I759-F803 WeakPolarHBondContact CA-O 3.3Å; I759-F803 WeakPolarHBondContact CG2-O 3.33Å; I759-K804 HydrophobicContact CD1-CD 4.09Å; I759-K804 HydrophobicContact CD1-CG 4.5Å; I759-K804 HydrophobicContact CG1-CB 4.13Å; I759-K804 HydrophobicContact CG1-CD 4.16Å; I759-K804 HydrophobicContact CG1-CG 4.03Å; I759-K804 HydrophobicContact CG2-CB 4.22Å |
| 760 | R | 82.6 | Confident | 69.2 | Low | 23 Ų | 23 | 63.9 Ų | 63.9 | 9% | 0.087 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 115.3 | -177.3 | 179 | 70.2 | -159.2 | 69.2 | 20.6 | 109.6 | Q721 P775 S802 F803 | Q721-R760 VanDerWaalsContact CB-CZ 3.49Å; Q721-R760 VanDerWaalsContact CD-NH2 3.35Å; Q721-R760 WeakPolarHBondContact O-CA 3.44Å; Q721-R760 WeakPolarHBondContact O-CD 3.49Å; Q721-R760 PolarHBondContact O-NH1 3.06Å; Q721-R760 VanDerWaalsContact OE1-CZ 3.26Å; R760-P775 HydrophobicContact CB-CB 4.49Å; R760-P775 HydrophobicContact CB-CG 4.11Å; R760-S802 CarbonylContact O-C 3.54Å; R760-S802 VanDerWaalsContact O-CA 3.27Å; R760-S802 WeakPolarHBondContact O-CA 3.43Å; R760-F803 HydrophobicContact CB-CB 4.42Å; R760-F803 HydrophobicContact CB-CD2 4.15Å; R760-F803 HydrophobicContact CG-CD2 4.02Å; R760-F803 PolarHBondContact N-O 3.47Å; R760-F803 PolarHBondContact O-N 3.22Å |
| 761 | K | 71.2 | Confident | 68.8 | Low | 40 Ų | 40 | 72 Ų | 72 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.6 | -172.9 | -163.6 | 172.7 | -172.4 | 172.1 | 0 | 114.6 | Q721 Y723 | Q721-K761 PolarHBondContact O-N 3.2Å; Q721-K761 VanDerWaalsContact O-N 3.17Å; Y723-K761 HydrophobicContact CE2-CB 4.18Å; Y723-K761 HydrophobicContact CE2-CD 4.33Å |
| 762 | L | 64.8 | Low | 68.5 | Low | 22 Ų | 22 | 78.4 Ų | 78.4 | 12% | 0.115 | 36% | 0.356 | C | S | . | . | trans | -87.3 | 151.6 | 173.8 | -85.7 | -176.8 | 0 | 0 | 0 | 112.7 | T764 Y801 F803 | L762-T764 WeakPolarHBondContact CD1-O 3.49Å; L762-T764 VanDerWaalsContact CD2-O 3.23Å; L762-T764 WeakPolarHBondContact CD2-O 3.45Å; L762-Y801 PolarHBondContact N-O 2.81Å; L762-F803 HydrophobicContact CD1-CD1 4.49Å; L762-F803 HydrophobicContact CD1-CE1 3.37Å; L762-F803 HydrophobicContact CD1-CZ 3.48Å; L762-F803 VanDerWaalsContact CD1-CZ 3.48Å; L762-F803 HydrophobicContact CD2-CE1 4.23Å; L762-F803 HydrophobicContact CD2-CE2 4.02Å; L762-F803 HydrophobicContact CD2-CZ 3.43Å; L762-F803 VanDerWaalsContact CD2-CZ 3.43Å; L762-F803 HydrophobicContact CG-CE1 3.65Å; L762-F803 HydrophobicContact CG-CE2 4.14Å; L762-F803 HydrophobicContact CG-CZ 3.36Å | ||
| 763 | Y | 59.8 | Low | 68.7 | Low | 103 Ų | 103 | 81.2 Ų | 81.2 | 40% | 0.404 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -115.3 | -14.6 | 166.4 | -65 | -70.8 | 0 | 0 | 0 | 112.9 | I716 | I716-Y763 HydrophobicContact CG2-CE1 4.09Š|
| 764 | T | 57.6 | Low | 68.8 | Low | 109 Ų | 109 | 78.2 Ų | 78.2 | 67% | 0.669 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -146.2 | 148.5 | 174.7 | 48.4 | 0 | 0 | 0 | 0 | 108.6 | L762 P766 | L762-T764 WeakPolarHBondContact CD1-O 3.49Å; L762-T764 VanDerWaalsContact CD2-O 3.23Å; L762-T764 WeakPolarHBondContact CD2-O 3.45Å; T764-P766 WeakPolarHBondContact O-CD 3.3Å |
| 765 | K | 47.8 | Very low | 69.1 | Low | 151 Ų | 151 | 78.2 Ų | 78.2 | 66% | 0.657 | 35% | 0.354 | S | S | * | . | trans | -76.9 | 116.4 | 172.1 | -178 | -178.2 | 179 | -177 | 0 | 108.6 | ||||
| 766 | P | 55.7 | Low | 69.2 | Low | 48 Ų | 48 | 83.7 Ų | 83.7 | 31% | 0.312 | 38% | 0.378 | S | S | . | . | trans | -78.3 | 155.9 | 175.5 | 34.7 | -35.8 | 0 | 0 | 0 | 110.6 | T764 F769 F803 | T764-P766 WeakPolarHBondContact O-CD 3.3Å; P766-F769 HydrophobicContact CG-CD1 4.38Å; P766-F769 HydrophobicContact CG-CE1 3.42Å; P766-F769 VanDerWaalsContact CG-CE1 3.42Å; P766-F769 HydrophobicContact CG-CE2 4.06Å; P766-F769 HydrophobicContact CG-CZ 3.22Å; P766-F803 HydrophobicContact CG-CZ 4.42Å | ||
| 767 | E | 56.2 | Low | 69.2 | Low | 202 Ų | 202 | 84.6 Ų | 84.6 | 94% | 0.944 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -79.9 | -26.1 | -170.7 | -60.3 | 177.3 | 146.8 | 0 | 0 | 113.5 | ||
| 768 | Q | 57.1 | Low | 69.2 | Low | 159 Ų | 159 | 86.4 Ų | 86.4 | 74% | 0.743 | 40% | 0.396 | S | S | * | . | trans | -144.1 | 158.4 | 176.2 | -67.2 | -171.1 | -6.2 | 0 | 0 | 111.1 | ||||
| 769 | F | 57 | Low | 68.9 | Low | 72 Ų | 72 | 87.8 Ų | 87.8 | 32% | 0.316 | 40% | 0.403 | S | S | . | . | trans | -122.1 | 134.8 | 173.7 | -76 | -64.7 | 0 | 0 | 0 | 112.4 | P766 L798 F803 | P766-F769 HydrophobicContact CG-CD1 4.38Å; P766-F769 HydrophobicContact CG-CE1 3.42Å; P766-F769 VanDerWaalsContact CG-CE1 3.42Å; P766-F769 HydrophobicContact CG-CE2 4.06Å; P766-F769 HydrophobicContact CG-CZ 3.22Å; F769-L798 HydrophobicContact CD2-CD2 4.17Å; F769-L798 HydrophobicContact CE2-CD1 3.75Å; F769-L798 HydrophobicContact CE2-CD2 3.74Å; F769-L798 HydrophobicContact CE2-CG 4.43Å; F769-L798 HydrophobicContact CZ-CD1 3.86Å; F769-F803 HydrophobicContact CD1-CZ 4.39Å; F769-F803 HydrophobicContact CE1-CD1 4.2Å; F769-F803 AromaticContact CE1-CE1 3.41Å; F769-F803 HydrophobicContact CE1-CE1 3.41Å; F769-F803 VanDerWaalsContact CE1-CE1 3.41Å; F769-F803 AromaticContact CE1-CE2 3.85Å; F769-F803 HydrophobicContact CE1-CE2 3.85Å; F769-F803 AromaticContact CE1-CZ 3.18Å; F769-F803 HydrophobicContact CE1-CZ 3.18Å; F769-F803 HydrophobicContact CE2-CE1 4.26Å; F769-F803 HydrophobicContact CZ-CD1 4.1Å; F769-F803 AromaticContact CZ-CE1 3.19Å; F769-F803 HydrophobicContact CZ-CE1 3.19Å; F769-F803 HydrophobicContact CZ-CE2 4.45Å; F769-F803 AromaticContact CZ-CZ 3.4Å; F769-F803 HydrophobicContact CZ-CZ 3.4Å; F769-F803 VanDerWaalsContact CZ-CZ 3.4Å | ||
| 770 | K | 63.7 | Low | 68.6 | Low | 137 Ų | 137 | 92.2 Ų | 92.2 | 60% | 0.596 | 43% | 0.426 | S | S | * | . | trans | -105.2 | 144.3 | 166.7 | -66.8 | 170.2 | -177 | 169.8 | 0 | 109.2 | K772 E773 | K770-K772 PolarHBondContact O-N 3.42Å; K770-E773 HydrophobicContact CB-CG 4.26Å; K770-E773 PolarHBondContact N-OE2 3.1Å; K770-E773 WeakPolarHBondContact O-CB 2.99Å; K770-E773 PolarHBondContact O-N 3.07Å | ||
| 771 | R | 60 | Low | 67.9 | Low | 221 Ų | 221 | 93.7 Ų | 93.7 | 83% | 0.834 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -57.2 | -23.7 | -176.7 | -157.5 | 177 | -171.3 | -179.6 | 3.2 | 113.8 | E773 | R771-E773 VanDerWaalsContact C-N 3.25Å; R771-E773 PolarHBondContact O-N 3.42Å |
| 772 | K | 64.8 | Low | 67.4 | Low | 203 Ų | 203 | 95.7 Ų | 95.7 | 88% | 0.883 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -75.2 | -1 | 174.6 | -61.8 | -173.1 | 176.4 | -174.6 | 0 | 114.9 | K770 | K770-K772 PolarHBondContact O-N 3.42Š|
| 773 | E | 71.3 | Confident | 67.1 | Low | 72 Ų | 72 | 100 Ų | 100 | 34% | 0.336 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -107.5 | -3.2 | -174.9 | -62 | 170 | 154.4 | 0 | 0 | 113.4 | K770 R771 Y823 | K770-E773 HydrophobicContact CB-CG 4.26Å; K770-E773 PolarHBondContact N-OE2 3.1Å; K770-E773 WeakPolarHBondContact O-CB 2.99Å; K770-E773 PolarHBondContact O-N 3.07Å; R771-E773 VanDerWaalsContact C-N 3.25Å; R771-E773 PolarHBondContact O-N 3.42Å; E773-Y823 VanDerWaalsContact O-CE2 3.23Å; E773-Y823 WeakPolarHBondContact O-CE2 3.39Å |
| 774 | W | 77.1 | Confident | 66.7 | Low | 43 Ų | 43 | 101.8 Ų | 101.8 | 16% | 0.163 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -80 | 153.5 | 168.2 | -69.9 | 80.6 | 0 | 0 | 0 | 110.8 | W796 I797 L798 F803 V805 | W774-W796 HydrophobicContact CB-CE3 4.12Å; W774-W796 HydrophobicContact CB-CZ3 3.7Å; W774-W796 AromaticContact CD2-CE3 3.68Å; W774-W796 HydrophobicContact CD2-CE3 3.68Å; W774-W796 HydrophobicContact CD2-CZ3 4.21Å; W774-W796 HydrophobicContact CE3-CB 4.47Å; W774-W796 AromaticContact CE3-CE3 3.64Å; W774-W796 HydrophobicContact CE3-CE3 3.64Å; W774-W796 HydrophobicContact CE3-CZ3 4.37Å; W774-W796 AromaticContact CG-CE3 3.91Å; W774-W796 HydrophobicContact CG-CE3 3.91Å; W774-W796 AromaticContact CG-CZ3 3.96Å; W774-W796 HydrophobicContact CG-CZ3 3.96Å; W774-W796 HydrophobicContact CH2-CB 3.9Å; W774-W796 HydrophobicContact CZ2-CB 4.47Å; W774-W796 HydrophobicContact CZ3-CB 3.91Å; W774-W796 HydrophobicContact CZ3-CE3 4.26Å; W774-I797 WeakPolarHBondContact CZ3-O 3.47Å; W774-L798 HydrophobicContact CH2-CB 3.98Å; W774-F803 HydrophobicContact CE3-CB 3.87Å; W774-F803 HydrophobicContact CZ3-CB 3.98Å; W774-V805 HydrophobicContact CE3-CG2 4.1Å |
| 775 | P | 83.4 | Confident | 66.3 | Low | 0 Ų | 0 | 104.7 Ų | 104.7 | 0% | 0 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 138.6 | 169.8 | 33.9 | -35.9 | 0 | 0 | 0 | 110.7 | L722 C758 R760 V805 A822 | L722-P775 HydrophobicContact CD1-CB 3.69Å; C758-P775 WeakPolarHBondContact O-CG 3.43Å; R760-P775 HydrophobicContact CB-CB 4.49Å; R760-P775 HydrophobicContact CB-CG 4.11Å; P775-V805 HydrophobicContact CG-CG2 4.23Å; P775-V805 VanDerWaalsContact O-CG2 3.29Å; P775-V805 WeakPolarHBondContact O-CG2 3.45Å; P775-A822 CarbonylContact C-O 3.48Å; P775-A822 WeakPolarHBondContact CA-O 3.42Å |
| 776 | E | 83.8 | Confident | 66.4 | Low | 126 Ų | 126 | 101.5 Ų | 101.5 | 59% | 0.589 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 135.9 | -179.2 | -62.7 | -177.3 | 159.7 | 0 | 0 | 111 | C758 C821 A822 | C758-E776 PolarHBondContact SG-O 2.7Å; E776-C821 CarbonylContact O-C 3.48Å; E776-C821 VanDerWaalsContact O-CA 3.31Å; E776-C821 WeakPolarHBondContact O-CA 3.05Å; E776-A822 PolarHBondContact N-O 3.19Å; E776-A822 PolarHBondContact O-N 2.88Å |
| 777 | L | 85.9 | Confident | 66.2 | Low | 20 Ų | 20 | 108 Ų | 108 | 11% | 0.105 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 100.1 | 174.6 | -179 | 62.1 | 0 | 0 | 0 | 110.3 | F724 L756 C758 V805 K807 K820 C821 | F724-L777 HydrophobicContact CE2-CD1 3.87Å; F724-L777 HydrophobicContact CZ-CD1 4.3Å; L756-L777 HydrophobicContact CB-CD2 3.95Å; C758-L777 HydrophobicContact CB-CB 4.07Å; C758-L777 HydrophobicContact CB-CD1 4.28Å; C758-L777 HydrophobicContact CB-CD2 4.42Å; C758-L777 HydrophobicContact CB-CG 4.49Å; L777-V805 HydrophobicContact CB-CG1 4.13Å; L777-V805 HydrophobicContact CD2-CG1 4.44Å; L777-K807 HydrophobicContact CD2-CB 3.63Å; L777-K820 CarbonylContact C-O 3.53Å; L777-K820 WeakPolarHBondContact CA-O 3.31Å; L777-C821 HydrophobicContact CD1-CB 4.22Å |
| 778 | T | 83.3 | Confident | 65.9 | Low | 57 Ų | 57 | 105.3 Ų | 105.3 | 35% | 0.35 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 150.4 | -179.8 | 61.6 | 0 | 0 | 0 | 0 | 112.3 | K820 | T778-K820 PolarHBondContact N-O 2.96Å; T778-K820 PolarHBondContact O-N 2.91Å; T778-K820 WeakPolarHBondContact OG1-CB 3.35Å |
| 779 | I | 81.4 | Confident | 65.8 | Low | 29 Ų | 29 | 102.4 Ų | 102.4 | 15% | 0.149 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 114.2 | -178.1 | -56.5 | 176.3 | 0 | 0 | 0 | 106.6 | H792 K807 I809 I817 H818 L819 | I779-H792 VanDerWaalsContact CD1-CE1 3.43Å; I779-H792 WeakPolarHBondContact CD1-CE1 3.42Å; I779-K807 HydrophobicContact CD1-CD 3.62Å; I779-K807 HydrophobicContact CD1-CG 4.16Å; I779-I809 HydrophobicContact CD1-CD1 3.56Å; I779-I809 HydrophobicContact CD1-CG1 3.99Å; I779-I809 HydrophobicContact CG1-CD1 4.35Å; I779-I809 HydrophobicContact CG2-CD1 4.45Å; I779-I817 HydrophobicContact CG2-CG2 3.53Å; I779-H818 WeakPolarHBondContact CA-O 3.12Å; I779-L819 HydrophobicContact CB-CD2 4.36Å; I779-L819 HydrophobicContact CG1-CD2 3.9Å; I779-L819 HydrophobicContact CG2-CD2 4.04Å |
| 780 | N | 77 | Confident | 65.7 | Low | 99 Ų | 99 | 100.6 Ų | 100.6 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.9 | 178.5 | -64.8 | 24 | 0 | 0 | 0 | 109.3 | H818 | N780-H818 HydrophobicContact CB-CB 4.34Å; N780-H818 PolarHBondContact N-O 3.48Å; N780-H818 PolarHBondContact O-N 3.39Å |
| 781 | N | 67.3 | Low | 65.2 | Low | 55 Ų | 55 | 100 Ų | 100 | 29% | 0.294 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 133.9 | 167.3 | 173.9 | 26.4 | 0 | 0 | 0 | 109 | Q783 | N781-Q783 PolarHBondContact ND2-O 3.44Å; N781-Q783 PolarHBondContact OD1-N 2.95Å |
| 782 | T | 60.4 | Low | 65.3 | Low | 82 Ų | 82 | 92.2 Ų | 92.2 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -92.7 | 2.1 | 178.5 | 55.3 | 0 | 0 | 0 | 0 | 114.2 | V816 | T782-V816 PolarHBondContact N-O 2.9Å; T782-V816 PolarHBondContact OG1-O 3.39Å |
| 783 | Q | 58.7 | Low | 65.3 | Low | 111 Ų | 111 | 88.1 Ų | 88.1 | 52% | 0.519 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -127.5 | 101 | -178.2 | -66.9 | -173.2 | -19.4 | 0 | 0 | 113.3 | N781 | N781-Q783 PolarHBondContact ND2-O 3.44Å; N781-Q783 PolarHBondContact OD1-N 2.95Å |
| 784 | N | 51.1 | Low | 65.4 | Low | 141 Ų | 141 | 87.5 Ų | 87.5 | 75% | 0.754 | 46% | 0.455 | S | S | * | . | trans | 66.8 | 146.8 | 168.4 | -67.1 | -6.9 | 0 | 0 | 0 | 119 | T786 | N784-T786 VanDerWaalsContact C-N 3.33Å; N784-T786 PolarHBondContact O-N 2.81Å | ||
| 785 | N | 50 | Low | 65 | Low | 171 Ų | 171 | 88 Ų | 88 | 91% | 0.914 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -85.8 | 50.4 | -164.4 | -58.6 | -7.4 | 0 | 0 | 0 | 113.9 | ||
| 786 | T | 49.7 | Very low | 64.6 | Low | 84 Ų | 84 | 93.7 Ų | 93.7 | 52% | 0.515 | 49% | 0.486 | S | S | . | . | trans | -127.4 | 102.1 | 172.7 | 46.7 | 0 | 0 | 0 | 0 | 111 | N784 D788 | N784-T786 VanDerWaalsContact C-N 3.33Å; N784-T786 PolarHBondContact O-N 2.81Å; T786-D788 VanDerWaalsContact C-N 3.26Å; T786-D788 PolarHBondContact O-N 3.11Å | ||
| 787 | E | 51.6 | Low | 63.7 | Low | 184 Ų | 184 | 89 Ų | 89 | 86% | 0.86 | 46% | 0.464 | S | S | * | . | trans | -73 | -16.8 | -176.2 | -60.6 | -168 | 126.9 | 0 | 0 | 113.4 | H789 L790 | E787-H789 PolarHBondContact O-N 3.14Å; E787-L790 PolarHBondContact O-N 3.44Å | ||
| 788 | D | 49.8 | Very low | 62.7 | Low | 145 Ų | 145 | 90.2 Ų | 90.2 | 78% | 0.775 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 15.3 | -172.2 | -55.4 | -51 | 0 | 0 | 0 | 116.7 | T786 | T786-D788 VanDerWaalsContact C-N 3.26Å; T786-D788 PolarHBondContact O-N 3.11Å |
| 789 | H | 53.7 | Low | 61.4 | Low | 99 Ų | 99 | 87.9 Ų | 87.9 | 46% | 0.458 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | -4.7 | -170.4 | -74 | -3.8 | 0 | 0 | 0 | 115 | E787 K813 | E787-H789 PolarHBondContact O-N 3.14Å; H789-K813 PolarHBondContact CD2-NZ 3.11Å; H789-K813 PolarHBondContact NE2-NZ 3.08Å |
| 790 | L | 55.5 | Low | 60.2 | Low | 33 Ų | 33 | 89 Ų | 89 | 17% | 0.173 | 47% | 0.466 | C | S | . | . | trans | -118.4 | 98 | 177.2 | -69.1 | 168.3 | 0 | 0 | 0 | 110.5 | E787 H792 I809 L815 I817 | E787-L790 PolarHBondContact O-N 3.44Å; L790-H792 PolarHBondContact O-CD2 3.01Å; L790-H792 PolarHBondContact O-N 3.07Å; L790-I809 HydrophobicContact CD2-CG2 3.94Å; L790-L815 HydrophobicContact CD2-CD1 4.28Å; L790-I817 HydrophobicContact CD1-CD1 4.45Å; L790-I817 HydrophobicContact CD2-CD1 4.24Å | ||
| 791 | I | 53.8 | Low | 59.5 | Low | 126 Ų | 126 | 91 Ų | 91 | 65% | 0.646 | 47% | 0.467 | S | S | * | . | trans | -67.4 | 116.9 | 173.2 | -59.8 | 175.3 | 0 | 0 | 0 | 108.3 | ||||
| 792 | H | 62.5 | Low | 59.6 | Low | 57 Ų | 57 | 88.4 Ų | 88.4 | 26% | 0.264 | 45% | 0.454 | S | S | . | . | trans | -123.5 | 82.8 | -169.3 | -81.2 | -36.8 | 0 | 0 | 0 | 113 | I779 L790 T794 V808 | I779-H792 VanDerWaalsContact CD1-CE1 3.43Å; I779-H792 WeakPolarHBondContact CD1-CE1 3.42Å; L790-H792 PolarHBondContact O-CD2 3.01Å; L790-H792 PolarHBondContact O-N 3.07Å; H792-T794 PolarHBondContact O-N 3.41Å; H792-T794 PolarHBondContact O-OG1 2.85Å; H792-V808 PolarHBondContact ND1-O 2.7Å | ||
| 793 | N | 64.2 | Low | 60.3 | Low | 117 Ų | 117 | 85 Ų | 85 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | trans | -74.4 | 115.6 | 170.4 | -70.9 | 5.5 | 0 | 0 | 0 | 109.2 | K807 V808 | N793-K807 WeakPolarHBondContact O-CA 3.36Å; N793-V808 PolarHBondContact O-N 2.83Å | ||
| 794 | T | 72.4 | Confident | 61.2 | Low | 59 Ų | 59 | 80.8 Ų | 80.8 | 36% | 0.362 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.6 | -178.5 | -45.2 | 0 | 0 | 0 | 0 | 109.8 | H792 V805 K806 K807 | H792-T794 PolarHBondContact O-N 3.41Å; H792-T794 PolarHBondContact O-OG1 2.85Å; T794-V805 HydrophobicContact CG2-CG1 4.17Å; T794-K806 CarbonylContact C-O 3.53Å; T794-K806 WeakPolarHBondContact CA-O 3.34Å; T794-K807 HydrophobicContact CG2-CB 4.26Å; T794-K807 HydrophobicContact CG2-CD 4.04Å; T794-K807 HydrophobicContact CG2-CG 4.21Å; T794-K807 WeakPolarHBondContact OG1-CD 3.3Å; T794-K807 VanDerWaalsContact OG1-CE 3.31Å; T794-K807 WeakPolarHBondContact OG1-CE 3.47Å; T794-K807 WeakPolarHBondContact OG1-CG 3.46Å |
| 795 | S | 69.9 | Low | 62.7 | Low | 52 Ų | 52 | 74.2 Ų | 74.2 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.5 | -179.4 | 53.1 | 0 | 0 | 0 | 0 | 111.7 | K806 | S795-K806 PolarHBondContact N-O 2.93Å; S795-K806 PolarHBondContact O-N 2.84Å |
| 796 | W | 74.3 | Confident | 64.2 | Low | 121 Ų | 121 | 68.3 Ų | 68.3 | 46% | 0.458 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 114 | -177.1 | -55.1 | 76.4 | 0 | 0 | 0 | 107.5 | W774 V805 | W774-W796 HydrophobicContact CB-CE3 4.12Å; W774-W796 HydrophobicContact CB-CZ3 3.7Å; W774-W796 AromaticContact CD2-CE3 3.68Å; W774-W796 HydrophobicContact CD2-CE3 3.68Å; W774-W796 HydrophobicContact CD2-CZ3 4.21Å; W774-W796 HydrophobicContact CE3-CB 4.47Å; W774-W796 AromaticContact CE3-CE3 3.64Å; W774-W796 HydrophobicContact CE3-CE3 3.64Å; W774-W796 HydrophobicContact CE3-CZ3 4.37Å; W774-W796 AromaticContact CG-CE3 3.91Å; W774-W796 HydrophobicContact CG-CE3 3.91Å; W774-W796 AromaticContact CG-CZ3 3.96Å; W774-W796 HydrophobicContact CG-CZ3 3.96Å; W774-W796 HydrophobicContact CH2-CB 3.9Å; W774-W796 HydrophobicContact CZ2-CB 4.47Å; W774-W796 HydrophobicContact CZ3-CB 3.91Å; W774-W796 HydrophobicContact CZ3-CE3 4.26Å; W796-V805 HydrophobicContact CD2-CG2 4.16Å; W796-V805 HydrophobicContact CE3-CG2 3.44Å; W796-V805 VanDerWaalsContact CE3-CG2 3.44Å; W796-V805 HydrophobicContact CH2-CG1 4.49Å; W796-V805 HydrophobicContact CH2-CG2 4.25Å; W796-V805 HydrophobicContact CZ3-CG1 4.47Å; W796-V805 HydrophobicContact CZ3-CG2 3.49Å; W796-V805 VanDerWaalsContact CZ3-CG2 3.49Å |
| 797 | I | 65.5 | Low | 65.8 | Low | 26 Ų | 26 | 66 Ų | 66 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125.6 | -171.8 | -61.2 | 165.5 | 0 | 0 | 0 | 108.4 | W774 F803 K804 K806 | W774-I797 WeakPolarHBondContact CZ3-O 3.47Å; I797-F803 CarbonylContact O-C 3.49Å; I797-F803 WeakPolarHBondContact O-CA 3.5Å; I797-K804 HydrophobicContact CB-CB 4.08Å; I797-K804 HydrophobicContact CB-CD 4.49Å; I797-K804 HydrophobicContact CB-CG 4.19Å; I797-K804 HydrophobicContact CD1-CD 4.19Å; I797-K804 HydrophobicContact CD1-CG 4.24Å; I797-K804 PolarHBondContact N-O 3.08Å; I797-K804 PolarHBondContact O-N 2.86Å; I797-K806 HydrophobicContact CD1-CB 4.44Å |
| 798 | L | 64.6 | Low | 67.1 | Low | 46 Ų | 46 | 59.6 Ų | 59.6 | 24% | 0.241 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 114.2 | 177.4 | 160.7 | 66.6 | 0 | 0 | 0 | 108.3 | Q574 F769 W774 F803 | Q574-L798 PolarHBondContact NE2-O 3.24Å; F769-L798 HydrophobicContact CD2-CD2 4.17Å; F769-L798 HydrophobicContact CE2-CD1 3.75Å; F769-L798 HydrophobicContact CE2-CD2 3.74Å; F769-L798 HydrophobicContact CE2-CG 4.43Å; F769-L798 HydrophobicContact CZ-CD1 3.86Å; W774-L798 HydrophobicContact CH2-CB 3.98Å; L798-F803 HydrophobicContact CD1-CD1 3.54Å; L798-F803 HydrophobicContact CD1-CE1 3.53Å |
| 799 | S | 57 | Low | 68.4 | Low | 9 Ų | 9 | 52.8 Ų | 52.8 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 169.4 | 174 | 93.3 | 0 | 0 | 0 | 0 | 110.5 | D697 Y801 S802 | D697-S799 WeakPolarHBondContact OD2-CB 3.29Å; S799-Y801 PolarHBondContact O-N 3.12Å; S799-Y801 VanDerWaalsContact O-N 3.09Å; S799-Y801 PolarHBondContact OG-N 2.89Å; S799-S802 PolarHBondContact N-O 2.87Å; S799-S802 PolarHBondContact OG-N 3.21Å; S799-S802 PolarHBondContact OG-OG 3.01Å |
| 800 | P | 56.1 | Low | 69.5 | Low | 53 Ų | 53 | 49.9 Ų | 49.9 | 34% | 0.344 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -20.6 | 171 | -23.4 | 34.6 | 0 | 0 | 0 | 114.2 | ||
| 801 | Y | 61.9 | Low | 70.1 | Confident | 140 Ų | 140 | 48.3 Ų | 48.3 | 55% | 0.549 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129.9 | 9.4 | -172 | -55.1 | -66.4 | 0 | 0 | 0 | 114.4 | L762 S799 | L762-Y801 PolarHBondContact N-O 2.81Å; S799-Y801 PolarHBondContact O-N 3.12Å; S799-Y801 VanDerWaalsContact O-N 3.09Å; S799-Y801 PolarHBondContact OG-N 2.89Å |
| 802 | S | 69.6 | Low | 70.7 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 158 | -179.7 | 57.6 | 0 | 0 | 0 | 0 | 115.3 | R760 S799 | R760-S802 CarbonylContact O-C 3.54Å; R760-S802 VanDerWaalsContact O-CA 3.27Å; R760-S802 WeakPolarHBondContact O-CA 3.43Å; S799-S802 PolarHBondContact N-O 2.87Å; S799-S802 PolarHBondContact OG-N 3.21Å; S799-S802 PolarHBondContact OG-OG 3.01Å |
| 803 | F | 74.8 | Confident | 70.9 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 4% | 0.044 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 141.6 | 161.1 | -39 | -43.5 | 0 | 0 | 0 | 108.8 | I759 R760 L762 P766 F769 W774 I797 L798 | I759-F803 CarbonylContact C-O 3.55Å; I759-F803 VanDerWaalsContact CA-O 3.27Å; I759-F803 WeakPolarHBondContact CA-O 3.3Å; I759-F803 WeakPolarHBondContact CG2-O 3.33Å; R760-F803 HydrophobicContact CB-CB 4.42Å; R760-F803 HydrophobicContact CB-CD2 4.15Å; R760-F803 HydrophobicContact CG-CD2 4.02Å; R760-F803 PolarHBondContact N-O 3.47Å; R760-F803 PolarHBondContact O-N 3.22Å; L762-F803 HydrophobicContact CD1-CD1 4.49Å; L762-F803 HydrophobicContact CD1-CE1 3.37Å; L762-F803 HydrophobicContact CD1-CZ 3.48Å; L762-F803 VanDerWaalsContact CD1-CZ 3.48Å; L762-F803 HydrophobicContact CD2-CE1 4.23Å; L762-F803 HydrophobicContact CD2-CE2 4.02Å; L762-F803 HydrophobicContact CD2-CZ 3.43Å; L762-F803 VanDerWaalsContact CD2-CZ 3.43Å; L762-F803 HydrophobicContact CG-CE1 3.65Å; L762-F803 HydrophobicContact CG-CE2 4.14Å; L762-F803 HydrophobicContact CG-CZ 3.36Å; P766-F803 HydrophobicContact CG-CZ 4.42Å; F769-F803 HydrophobicContact CD1-CZ 4.39Å; F769-F803 HydrophobicContact CE1-CD1 4.2Å; F769-F803 AromaticContact CE1-CE1 3.41Å; F769-F803 HydrophobicContact CE1-CE1 3.41Å; F769-F803 VanDerWaalsContact CE1-CE1 3.41Å; F769-F803 AromaticContact CE1-CE2 3.85Å; F769-F803 HydrophobicContact CE1-CE2 3.85Å; F769-F803 AromaticContact CE1-CZ 3.18Å; F769-F803 HydrophobicContact CE1-CZ 3.18Å; F769-F803 HydrophobicContact CE2-CE1 4.26Å; F769-F803 HydrophobicContact CZ-CD1 4.1Å; F769-F803 AromaticContact CZ-CE1 3.19Å; F769-F803 HydrophobicContact CZ-CE1 3.19Å; F769-F803 HydrophobicContact CZ-CE2 4.45Å; F769-F803 AromaticContact CZ-CZ 3.4Å; F769-F803 HydrophobicContact CZ-CZ 3.4Å; F769-F803 VanDerWaalsContact CZ-CZ 3.4Å; W774-F803 HydrophobicContact CE3-CB 3.87Å; W774-F803 HydrophobicContact CZ3-CB 3.98Å; I797-F803 CarbonylContact O-C 3.49Å; I797-F803 WeakPolarHBondContact O-CA 3.5Å; L798-F803 HydrophobicContact CD1-CD1 3.54Å; L798-F803 HydrophobicContact CD1-CE1 3.53Å |
| 804 | K | 77.5 | Confident | 70.8 | Confident | 23 Ų | 23 | 47.3 Ų | 47.3 | 10% | 0.1 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 124.8 | -173.4 | 162.4 | 168.3 | 165.7 | 162.5 | 0 | 110.1 | E757 C758 I759 I797 | E757-K804 WeakPolarHBondContact OE1-CE 3.38Å; E757-K804 IonicContact OE1-NZ 2.83Å; E757-K804 PolarHBondContact OE1-NZ 3.48Å; E757-K804 WeakPolarHBondContact OE2-CE 3.48Å; E757-K804 IonicContact OE2-NZ 2.67Å; E757-K804 PolarHBondContact OE2-NZ 3.11Å; C758-K804 WeakPolarHBondContact O-CA 3.25Å; I759-K804 HydrophobicContact CD1-CD 4.09Å; I759-K804 HydrophobicContact CD1-CG 4.5Å; I759-K804 HydrophobicContact CG1-CB 4.13Å; I759-K804 HydrophobicContact CG1-CD 4.16Å; I759-K804 HydrophobicContact CG1-CG 4.03Å; I759-K804 HydrophobicContact CG2-CB 4.22Å; I797-K804 HydrophobicContact CB-CB 4.08Å; I797-K804 HydrophobicContact CB-CD 4.49Å; I797-K804 HydrophobicContact CB-CG 4.19Å; I797-K804 HydrophobicContact CD1-CD 4.19Å; I797-K804 HydrophobicContact CD1-CG 4.24Å; I797-K804 PolarHBondContact N-O 3.08Å; I797-K804 PolarHBondContact O-N 2.86Å |
| 805 | V | 83 | Confident | 70.7 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 104.4 | 169.9 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | E757 C758 W774 P775 L777 T794 W796 | E757-V805 WeakPolarHBondContact CA-O 3.48Å; C758-V805 HydrophobicContact CB-CB 4.46Å; C758-V805 PolarHBondContact N-O 3.27Å; C758-V805 PolarHBondContact O-N 3.45Å; W774-V805 HydrophobicContact CE3-CG2 4.1Å; P775-V805 HydrophobicContact CG-CG2 4.23Å; P775-V805 VanDerWaalsContact O-CG2 3.29Å; P775-V805 WeakPolarHBondContact O-CG2 3.45Å; L777-V805 HydrophobicContact CB-CG1 4.13Å; L777-V805 HydrophobicContact CD2-CG1 4.44Å; T794-V805 HydrophobicContact CG2-CG1 4.17Å; W796-V805 HydrophobicContact CD2-CG2 4.16Å; W796-V805 HydrophobicContact CE3-CG2 3.44Å; W796-V805 VanDerWaalsContact CE3-CG2 3.44Å; W796-V805 HydrophobicContact CH2-CG1 4.49Å; W796-V805 HydrophobicContact CH2-CG2 4.25Å; W796-V805 HydrophobicContact CZ3-CG1 4.47Å; W796-V805 HydrophobicContact CZ3-CG2 3.49Å; W796-V805 VanDerWaalsContact CZ3-CG2 3.49Å |
| 806 | K | 81.8 | Confident | 70.9 | Confident | 46 Ų | 46 | 44.9 Ų | 44.9 | 20% | 0.2 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 130.9 | 176.4 | -179.3 | 174.3 | -170 | 119.5 | 0 | 109.3 | E727 S755 L756 E757 T794 S795 I797 | E727-K806 IonicContact OE2-NZ 2.8Å; E727-K806 PolarHBondContact OE2-NZ 3.43Å; S755-K806 WeakPolarHBondContact OG-CE 3.49Å; S755-K806 PolarHBondContact OG-NZ 2.89Å; L756-K806 CarbonylContact O-C 3.52Å; L756-K806 WeakPolarHBondContact O-CA 3.5Å; E757-K806 HydrophobicContact CG-CB 4.39Å; E757-K806 HydrophobicContact CG-CD 4.44Å; E757-K806 HydrophobicContact CG-CG 4.12Å; E757-K806 VanDerWaalsContact OE1-CD 3.28Å; E757-K806 WeakPolarHBondContact OE1-CD 3.45Å; E757-K806 WeakPolarHBondContact OE1-CE 3.24Å; E757-K806 IonicContact OE1-NZ 2.69Å; E757-K806 PolarHBondContact OE1-NZ 2.93Å; T794-K806 CarbonylContact C-O 3.53Å; T794-K806 WeakPolarHBondContact CA-O 3.34Å; S795-K806 PolarHBondContact N-O 2.93Å; S795-K806 PolarHBondContact O-N 2.84Å; I797-K806 HydrophobicContact CD1-CB 4.44Å |
| 807 | K | 82.9 | Confident | 71.1 | Confident | 37 Ų | 37 | 39.2 Ų | 39.2 | 16% | 0.161 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 124.7 | 178.6 | -167 | 163.9 | -178.7 | -174.1 | 0 | 110.7 | L756 L777 I779 N793 T794 | L756-K807 WeakPolarHBondContact CB-O 3.2Å; L756-K807 PolarHBondContact N-O 3.29Å; L756-K807 PolarHBondContact O-N 3.48Å; L777-K807 HydrophobicContact CD2-CB 3.63Å; I779-K807 HydrophobicContact CD1-CD 3.62Å; I779-K807 HydrophobicContact CD1-CG 4.16Å; N793-K807 WeakPolarHBondContact O-CA 3.36Å; T794-K807 HydrophobicContact CG2-CB 4.26Å; T794-K807 HydrophobicContact CG2-CD 4.04Å; T794-K807 HydrophobicContact CG2-CG 4.21Å; T794-K807 WeakPolarHBondContact OG1-CD 3.3Å; T794-K807 VanDerWaalsContact OG1-CE 3.31Å; T794-K807 WeakPolarHBondContact OG1-CE 3.47Å; T794-K807 WeakPolarHBondContact OG1-CG 3.46Å |
| 808 | V | 78.8 | Confident | 72 | Confident | 49 Ų | 49 | 41 Ų | 41 | 30% | 0.297 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 143.4 | 178.9 | -174.9 | 0 | 0 | 0 | 0 | 110 | I754 H792 N793 | I754-V808 CarbonylContact O-C 3.55Å; I754-V808 WeakPolarHBondContact O-CA 3.44Å; H792-V808 PolarHBondContact ND1-O 2.7Å; N793-V808 PolarHBondContact O-N 2.83Å |
| 809 | I | 77.1 | Confident | 73.1 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 138.7 | 177.7 | -46.3 | -178.6 | 0 | 0 | 0 | 109.1 | F753 I754 L756 I779 L790 L811 L819 | F753-I809 WeakPolarHBondContact CA-O 3.46Å; I754-I809 PolarHBondContact N-O 2.02Å; I754-I809 PolarHBondContact O-N 3.13Å; L756-I809 HydrophobicContact CD1-CD1 3.53Å; L756-I809 HydrophobicContact CD1-CG1 4.26Å; L756-I809 HydrophobicContact CG-CD1 4.31Å; I779-I809 HydrophobicContact CD1-CD1 3.56Å; I779-I809 HydrophobicContact CD1-CG1 3.99Å; I779-I809 HydrophobicContact CG1-CD1 4.35Å; I779-I809 HydrophobicContact CG2-CD1 4.45Å; L790-I809 HydrophobicContact CD2-CG2 3.94Å; I809-L811 HydrophobicContact CG2-CD2 3.88Å; I809-L819 HydrophobicContact CD1-CD2 3.85Å |
| 810 | H | 75.4 | Confident | 74.5 | Confident | 38 Ų | 38 | 41.8 Ų | 41.8 | 18% | 0.176 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 119.9 | 171.9 | -172.9 | -121.9 | 0 | 0 | 0 | 111.5 | F753 N812 | F753-H810 HydrophobicContact CD1-CB 4.2Å; F753-H810 AromaticContact CD1-CD2 3.54Å; F753-H810 AromaticContact CD2-CD2 3.71Å; F753-H810 HydrophobicContact CE1-CB 4.18Å; F753-H810 AromaticContact CE1-CD2 3.33Å; F753-H810 WeakPolarHBondContact CE1-CD2 3.12Å; F753-H810 AromaticContact CE1-CG 3.83Å; F753-H810 AromaticContact CE1-NE2 3.99Å; F753-H810 AromaticContact CE2-CD2 3.5Å; F753-H810 AromaticContact CE2-NE2 3.54Å; F753-H810 AromaticContact CG-CD2 3.73Å; F753-H810 AromaticContact CZ-CD2 3.32Å; F753-H810 WeakPolarHBondContact CZ-CD2 3.49Å; F753-H810 AromaticContact CZ-NE2 3.48Å; F753-H810 WeakPolarHBondContact CZ-NE2 3.29Å; H810-N812 PolarHBondContact CE1-OD1 3.01Å; H810-N812 PolarHBondContact ND1-ND2 3.29Å; H810-N812 PolarHBondContact ND1-OD1 3.02Å; H810-N812 PolarHBondContact O-N 3.42Å |
| 811 | L | 69.4 | Low | 76.1 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -95.3 | 76.3 | -167.8 | -64.6 | 178.5 | 0 | 0 | 0 | 113.8 | L748 S751 T752 I754 I809 I817 I832 T834 | L748-L811 HydrophobicContact CB-CD1 4.44Å; L748-L811 HydrophobicContact CD1-CD1 4.07Å; S751-L811 PolarHBondContact N-O 3.17Å; T752-L811 WeakPolarHBondContact O-CB 3.37Å; T752-L811 PolarHBondContact O-N 2.94Å; T752-L811 VanDerWaalsContact O-N 3.16Å; I754-L811 HydrophobicContact CD1-CD1 3.42Å; I754-L811 VanDerWaalsContact CD1-CD1 3.42Å; I754-L811 HydrophobicContact CD1-CD2 4.41Å; I754-L811 HydrophobicContact CD1-CG 4.03Å; I754-L811 HydrophobicContact CG1-CD1 4.06Å; I809-L811 HydrophobicContact CG2-CD2 3.88Å; L811-I817 HydrophobicContact CD2-CD1 3.52Å; L811-I832 HydrophobicContact CD1-CG2 4.21Å; L811-T834 HydrophobicContact CB-CG2 4.16Å; L811-T834 HydrophobicContact CD1-CG2 3.78Å; L811-T834 HydrophobicContact CD2-CG2 4.32Å; L811-T834 HydrophobicContact CG-CG2 4.33Å | ||
| 812 | N | 67 | Low | 77.3 | Confident | 93 Ų | 93 | 33 Ų | 33 | 50% | 0.497 | 17% | 0.168 | S | C | . | . | trans | -79.2 | -16.6 | -172.1 | -92.8 | -27.6 | 0 | 0 | 0 | 117.1 | H810 | H810-N812 PolarHBondContact CE1-OD1 3.01Å; H810-N812 PolarHBondContact ND1-ND2 3.29Å; H810-N812 PolarHBondContact ND1-OD1 3.02Å; H810-N812 PolarHBondContact O-N 3.42Å | ||
| 813 | K | 66.4 | Low | 78 | Confident | 101 Ų | 101 | 34.5 Ų | 34.5 | 44% | 0.439 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -137.3 | 158.5 | -171 | -75.9 | -179.3 | 177.6 | 179 | 0 | 110.8 | H789 L815 T834 | H789-K813 PolarHBondContact CD2-NZ 3.11Å; H789-K813 PolarHBondContact NE2-NZ 3.08Å; K813-L815 HydrophobicContact CB-CD1 4.34Å; K813-L815 HydrophobicContact CB-CG 4.17Å; K813-L815 PolarHBondContact O-N 3.24Å; K813-T834 PolarHBondContact O-OG1 3.25Å; K813-T834 VanDerWaalsContact O-OG1 3.09Å |
| 814 | P | 61.4 | Low | 78.2 | Confident | 85 Ų | 85 | 42.4 Ų | 42.4 | 55% | 0.552 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -58.2 | 109.9 | 165.6 | 25.4 | -32.9 | 0 | 0 | 0 | 109.5 | T834 | P814-T834 VanDerWaalsContact CA-OG1 3.26Å; P814-T834 WeakPolarHBondContact CA-OG1 3.4Å |
| 815 | L | 70.5 | Confident | 78.3 | Confident | 27 Ų | 27 | 48 Ų | 48 | 14% | 0.141 | 25% | 0.245 | C | C | . | . | trans | -138.8 | 157.6 | -175.8 | -69.5 | 169.8 | 0 | 0 | 0 | 110.4 | L790 K813 I817 T834 | L790-L815 HydrophobicContact CD2-CD1 4.28Å; K813-L815 HydrophobicContact CB-CD1 4.34Å; K813-L815 HydrophobicContact CB-CG 4.17Å; K813-L815 PolarHBondContact O-N 3.24Å; L815-I817 HydrophobicContact CB-CD1 4.3Å; L815-I817 HydrophobicContact CB-CG1 4.08Å; L815-I817 HydrophobicContact CD1-CD1 4.28Å; L815-T834 PolarHBondContact N-OG1 2.83Å; L815-T834 PolarHBondContact O-N 3.42Å; L815-T834 PolarHBondContact O-OG1 2.92Å | ||
| 816 | V | 73.9 | Confident | 78.2 | Confident | 32 Ų | 32 | 50.6 Ų | 50.6 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 114.4 | 167.6 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | T782 I832 | T782-V816 PolarHBondContact N-O 2.9Å; T782-V816 PolarHBondContact OG1-O 3.39Å; V816-I832 WeakPolarHBondContact CA-O 3.3Å |
| 817 | I | 78.4 | Confident | 78.4 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 123.7 | -170.8 | -58.1 | -178 | 0 | 0 | 0 | 109.4 | I779 L790 L811 L815 L819 K831 I832 | I779-I817 HydrophobicContact CG2-CG2 3.53Å; L790-I817 HydrophobicContact CD1-CD1 4.45Å; L790-I817 HydrophobicContact CD2-CD1 4.24Å; L811-I817 HydrophobicContact CD2-CD1 3.52Å; L815-I817 HydrophobicContact CB-CD1 4.3Å; L815-I817 HydrophobicContact CB-CG1 4.08Å; L815-I817 HydrophobicContact CD1-CD1 4.28Å; I817-L819 HydrophobicContact CG2-CD2 3.77Å; I817-L819 HydrophobicContact CG2-CG 4.44Å; I817-K831 CarbonylContact O-C 3.49Å; I817-K831 WeakPolarHBondContact O-CA 3.41Å; I817-I832 PolarHBondContact N-O 3.21Å; I817-I832 PolarHBondContact O-N 3.48Å |
| 818 | H | 84.7 | Confident | 78.6 | Confident | 62 Ų | 62 | 52 Ų | 52 | 29% | 0.287 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 117.9 | 173.4 | -70.6 | -128.2 | 0 | 0 | 0 | 108.9 | I779 N780 | I779-H818 WeakPolarHBondContact CA-O 3.12Å; N780-H818 HydrophobicContact CB-CB 4.34Å; N780-H818 PolarHBondContact N-O 3.48Å; N780-H818 PolarHBondContact O-N 3.39Å |
| 819 | L | 86.6 | Confident | 78.9 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 137 | 174.7 | -56.2 | -178.5 | 0 | 0 | 0 | 109.4 | F724 L756 I779 I809 I817 V829 I830 I832 | F724-L819 HydrophobicContact CZ-CB 4.16Å; F724-L819 HydrophobicContact CZ-CD1 4.42Å; L756-L819 HydrophobicContact CD1-CD1 3.62Å; L756-L819 HydrophobicContact CD1-CD2 3.64Å; L756-L819 HydrophobicContact CD1-CG 4.18Å; L756-L819 HydrophobicContact CD2-CD1 3.66Å; L756-L819 HydrophobicContact CG-CD1 4.29Å; I779-L819 HydrophobicContact CB-CD2 4.36Å; I779-L819 HydrophobicContact CG1-CD2 3.9Å; I779-L819 HydrophobicContact CG2-CD2 4.04Å; I809-L819 HydrophobicContact CD1-CD2 3.85Å; I817-L819 HydrophobicContact CG2-CD2 3.77Å; I817-L819 HydrophobicContact CG2-CG 4.44Å; L819-V829 CarbonylContact O-C 3.57Å; L819-V829 VanDerWaalsContact O-CA 3.31Å; L819-V829 WeakPolarHBondContact O-CA 3.38Å; L819-I830 PolarHBondContact N-O 3.11Å; L819-I830 PolarHBondContact O-N 3.19Å; L819-I832 HydrophobicContact CD1-CD1 3.47Å; L819-I832 VanDerWaalsContact CD1-CD1 3.47Å; L819-I832 HydrophobicContact CD1-CG1 4.02Å; L819-I832 HydrophobicContact CG-CD1 4.35Å |
| 820 | K | 88.2 | Confident | 79.3 | Confident | 71 Ų | 71 | 51.1 Ų | 51.1 | 31% | 0.309 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 127.3 | 172.6 | 161 | 174.6 | 166.2 | 166.7 | 0 | 111 | L777 T778 A822 Q827 Y828 V829 | L777-K820 CarbonylContact C-O 3.53Å; L777-K820 WeakPolarHBondContact CA-O 3.31Å; T778-K820 PolarHBondContact N-O 2.96Å; T778-K820 PolarHBondContact O-N 2.91Å; T778-K820 WeakPolarHBondContact OG1-CB 3.35Å; K820-A822 HydrophobicContact CG-CB 4.35Å; K820-Q827 VanDerWaalsContact CE-OE1 3.23Å; K820-Y828 CarbonylContact C-O 3.55Å; K820-Y828 VanDerWaalsContact CA-O 3.31Å; K820-Y828 WeakPolarHBondContact CA-O 3.07Å; K820-V829 HydrophobicContact CB-CG2 4.17Å; K820-V829 HydrophobicContact CD-CG2 4.3Å; K820-V829 HydrophobicContact CG-CG2 4.23Å |
| 821 | C | 88.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.6 | 169.8 | 168.2 | 0 | 0 | 0 | 0 | 108.6 | F724 C758 E776 L777 Q827 Y828 | F724-C821 HydrophobicContact CB-CB 3.78Å; F724-C821 HydrophobicContact CD1-CB 3.82Å; F724-C821 HydrophobicContact CD2-CB 3.64Å; F724-C821 HydrophobicContact CE1-CB 4.29Å; F724-C821 HydrophobicContact CE2-CB 4.14Å; F724-C821 HydrophobicContact CG-CB 3.48Å; F724-C821 VanDerWaalsContact CG-CB 3.48Å; F724-C821 HydrophobicContact CZ-CB 4.45Å; C758-C821 WeakPolarHBondContact CA-SG 3.33Å; C758-C821 HydrophobicContact CB-CB 3.85Å; C758-C821 WeakPolarHBondContact CB-SG 3.49Å; C758-C821 WeakPolarHBondContact SG-CA 3.45Å; C758-C821 WeakPolarHBondContact SG-CB 3.24Å; C758-C821 CovalentContact SG-SG 2.03Å; C758-C821 PolarHBondContact SG-SG 3.44Å; E776-C821 CarbonylContact O-C 3.48Å; E776-C821 VanDerWaalsContact O-CA 3.31Å; E776-C821 WeakPolarHBondContact O-CA 3.05Å; L777-C821 HydrophobicContact CD1-CB 4.22Å; C821-Q827 CarbonylContact O-C 3.55Å; C821-Q827 WeakPolarHBondContact O-CA 3.31Å; C821-Y828 PolarHBondContact N-O 3.25Å; C821-Y828 PolarHBondContact O-N 3.13Å |
| 822 | A | 86.9 | Confident | 80 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 8% | 0.083 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 148.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | P775 E776 K820 E826 Q827 | P775-A822 CarbonylContact C-O 3.48Å; P775-A822 WeakPolarHBondContact CA-O 3.42Å; E776-A822 PolarHBondContact N-O 3.19Å; E776-A822 PolarHBondContact O-N 2.88Å; K820-A822 HydrophobicContact CG-CB 4.35Å; A822-E826 CarbonylContact C-O 3.5Å; A822-E826 WeakPolarHBondContact CA-O 3.42Å; A822-Q827 HydrophobicContact CB-CB 3.83Å |
| 823 | Y | 84.2 | Confident | 80.5 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 12% | 0.122 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 115.5 | 171.2 | 179.4 | -102.3 | 0 | 0 | 0 | 110.6 | E773 T825 E826 | E773-Y823 VanDerWaalsContact O-CE2 3.23Å; E773-Y823 WeakPolarHBondContact O-CE2 3.39Å; Y823-T825 PolarHBondContact O-N 3.1Å; Y823-E826 PolarHBondContact N-O 2.76Å; Y823-E826 PolarHBondContact O-N 2.8Å |
| 824 | K | 79.6 | Confident | 80.7 | Confident | 177 Ų | 177 | 45.4 Ų | 45.4 | 77% | 0.77 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | -101.3 | -174.4 | -62.5 | -179.5 | 176.5 | 176.7 | 0 | 111.6 | ||
| 825 | T | 79.9 | Confident | 81 | Confident | 141 Ų | 141 | 43.5 Ų | 43.5 | 87% | 0.865 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -15.5 | -179.3 | 48.9 | 0 | 0 | 0 | 0 | 113.9 | Y823 | Y823-T825 PolarHBondContact O-N 3.1Š|
| 826 | E | 81 | Confident | 80.9 | Confident | 57 Ų | 57 | 49.1 Ų | 49.1 | 27% | 0.266 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 127.7 | 175.1 | -66 | -173.7 | 142.8 | 0 | 0 | 109.4 | Q721 L722 A822 Y823 | Q721-E826 WeakPolarHBondContact CB-OE2 3.05Å; Q721-E826 PolarHBondContact N-OE1 3.35Å; Q721-E826 PolarHBondContact N-OE2 3.16Å; L722-E826 HydrophobicContact CB-CB 4.01Å; L722-E826 WeakPolarHBondContact CB-OE2 3.05Å; L722-E826 HydrophobicContact CD2-CB 3.98Å; L722-E826 WeakPolarHBondContact CD2-O 3.34Å; L722-E826 PolarHBondContact N-OE2 2.85Å; A822-E826 CarbonylContact C-O 3.5Å; A822-E826 WeakPolarHBondContact CA-O 3.42Å; Y823-E826 PolarHBondContact N-O 2.76Å; Y823-E826 PolarHBondContact O-N 2.8Å |
| 827 | Q | 86.3 | Confident | 80.8 | Confident | 99 Ų | 99 | 51.1 Ų | 51.1 | 46% | 0.463 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 142 | 171.7 | 64.5 | 176.9 | -13.1 | 0 | 0 | 112.4 | N742 K820 C821 A822 | N742-Q827 PolarHBondContact ND2-O 2.91Å; K820-Q827 VanDerWaalsContact CE-OE1 3.23Å; C821-Q827 CarbonylContact O-C 3.55Å; C821-Q827 WeakPolarHBondContact O-CA 3.31Å; A822-Q827 HydrophobicContact CB-CB 3.83Å |
| 828 | Y | 86.1 | Confident | 80.6 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 129.6 | 172 | -62.3 | -77.9 | 0 | 0 | 0 | 109.3 | K720 L722 F724 V737 N742 K820 C821 | K720-Y828 PolarHBondContact NZ-OH 3.46Å; L722-Y828 HydrophobicContact CB-CE2 4.35Å; L722-Y828 HydrophobicContact CD2-CD2 4.04Å; L722-Y828 HydrophobicContact CD2-CE2 4.25Å; L722-Y828 HydrophobicContact CG-CD2 4.33Å; L722-Y828 HydrophobicContact CG-CE2 4.24Å; L722-Y828 WeakPolarHBondContact O-CE2 3.23Å; F724-Y828 HydrophobicContact CB-CD2 4.18Å; F724-Y828 HydrophobicContact CB-CG 4.43Å; V737-Y828 HydrophobicContact CG1-CD1 4.18Å; V737-Y828 HydrophobicContact CG1-CG 4.35Å; V737-Y828 VanDerWaalsContact O-CD1 3.3Å; V737-Y828 WeakPolarHBondContact O-CD1 3.5Å; V737-Y828 VanDerWaalsContact O-CE1 3.25Å; V737-Y828 WeakPolarHBondContact O-CE1 3.5Å; N742-Y828 HydrophobicContact CB-CD1 4.13Å; N742-Y828 WeakPolarHBondContact OD1-CA 3.16Å; K820-Y828 CarbonylContact C-O 3.55Å; K820-Y828 VanDerWaalsContact CA-O 3.31Å; K820-Y828 WeakPolarHBondContact CA-O 3.07Å; C821-Y828 PolarHBondContact N-O 3.25Å; C821-Y828 PolarHBondContact O-N 3.13Å |
| 829 | V | 85.8 | Confident | 80.4 | Confident | 31 Ų | 31 | 58.8 Ų | 58.8 | 19% | 0.188 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 139 | -179.5 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | N742 N743 L819 K820 | N742-V829 PolarHBondContact OD1-N 2.88Å; N743-V829 WeakPolarHBondContact CA-O 3.34Å; N743-V829 PolarHBondContact N-O 3.12Å; L819-V829 CarbonylContact O-C 3.57Å; L819-V829 VanDerWaalsContact O-CA 3.31Å; L819-V829 WeakPolarHBondContact O-CA 3.38Å; K820-V829 HydrophobicContact CB-CG2 4.17Å; K820-V829 HydrophobicContact CD-CG2 4.3Å; K820-V829 HydrophobicContact CG-CG2 4.23Å |
| 830 | I | 84.4 | Confident | 80.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 143.2 | 175.6 | -79.4 | -170.5 | 0 | 0 | 0 | 109.4 | I726 V737 I746 L819 I832 | I726-I830 HydrophobicContact CD1-CD1 3.85Å; I726-I830 HydrophobicContact CD1-CG2 4.49Å; V737-I830 HydrophobicContact CB-CD1 4.23Å; V737-I830 HydrophobicContact CG1-CD1 3.63Å; V737-I830 HydrophobicContact CG1-CG1 4.13Å; V737-I830 HydrophobicContact CG2-CD1 3.49Å; V737-I830 VanDerWaalsContact CG2-CD1 3.49Å; I746-I830 HydrophobicContact CD1-CD1 4.2Å; I746-I830 HydrophobicContact CD1-CG2 3.63Å; I746-I830 HydrophobicContact CG1-CG2 3.85Å; L819-I830 PolarHBondContact N-O 3.11Å; L819-I830 PolarHBondContact O-N 3.19Å; I830-I832 HydrophobicContact CG2-CG1 4.11Å |
| 831 | K | 82.9 | Confident | 80.2 | Confident | 65 Ų | 65 | 61.3 Ų | 61.3 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 140.7 | 166.4 | -55 | -175.9 | -151.1 | 161.4 | 0 | 109.9 | S744 E745 I746 I817 | S744-K831 PolarHBondContact O-N 2.84Å; E745-K831 HydrophobicContact CG-CB 3.95Å; E745-K831 HydrophobicContact CG-CD 3.95Å; E745-K831 HydrophobicContact CG-CG 4.33Å; E745-K831 WeakPolarHBondContact OE1-CE 3.32Å; E745-K831 IonicContact OE1-NZ 2.66Å; E745-K831 PolarHBondContact OE1-NZ 3.28Å; I746-K831 PolarHBondContact N-O 3.38Å; I817-K831 CarbonylContact O-C 3.49Å; I817-K831 WeakPolarHBondContact O-CA 3.41Å |
| 832 | I | 77.8 | Confident | 80.2 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129 | 172 | -60.7 | -168.1 | 0 | 0 | 0 | 109.3 | I746 L748 I754 L811 V816 I817 L819 I830 T834 | I746-I832 HydrophobicContact CB-CG1 4.37Å; I746-I832 HydrophobicContact CD1-CG1 4.42Å; I746-I832 WeakPolarHBondContact O-CA 3.45Å; L748-I832 HydrophobicContact CB-CG2 4.4Å; L748-I832 HydrophobicContact CD1-CD1 4.08Å; L748-I832 HydrophobicContact CD1-CG2 3.85Å; L748-I832 HydrophobicContact CG-CG2 4.24Å; I754-I832 HydrophobicContact CD1-CD1 3.49Å; I754-I832 VanDerWaalsContact CD1-CD1 3.49Å; L811-I832 HydrophobicContact CD1-CG2 4.21Å; V816-I832 WeakPolarHBondContact CA-O 3.3Å; I817-I832 PolarHBondContact N-O 3.21Å; I817-I832 PolarHBondContact O-N 3.48Å; L819-I832 HydrophobicContact CD1-CD1 3.47Å; L819-I832 VanDerWaalsContact CD1-CD1 3.47Å; L819-I832 HydrophobicContact CD1-CG1 4.02Å; L819-I832 HydrophobicContact CG-CD1 4.35Å; I830-I832 HydrophobicContact CG2-CG1 4.11Å; I832-T834 HydrophobicContact CG2-CG2 4.42Å |
| 833 | H | 77 | Confident | 80.2 | Confident | 31 Ų | 31 | 65 Ų | 65 | 14% | 0.144 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.6 | 174 | -59.4 | -99.7 | 0 | 0 | 0 | 109 | I746 S747 L748 I925 | I746-H833 PolarHBondContact O-N 2.88Å; S747-H833 CarbonylContact C-O 3.55Å; S747-H833 WeakPolarHBondContact CA-O 3.26Å; L748-H833 PolarHBondContact N-O 2.88Å; H833-I925 HydrophobicContact CB-CD1 3.52Å |
| 834 | T | 70.8 | Confident | 80.1 | Confident | 15 Ų | 15 | 67.7 Ų | 67.7 | 9% | 0.092 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.4 | -174.9 | 60.2 | 0 | 0 | 0 | 0 | 113 | L748 L811 K813 P814 L815 I832 | L748-T834 CarbonylContact O-C 3.55Å; L748-T834 VanDerWaalsContact O-CA 3.27Å; L748-T834 WeakPolarHBondContact O-CA 3.31Å; L811-T834 HydrophobicContact CB-CG2 4.16Å; L811-T834 HydrophobicContact CD1-CG2 3.78Å; L811-T834 HydrophobicContact CD2-CG2 4.32Å; L811-T834 HydrophobicContact CG-CG2 4.33Å; K813-T834 PolarHBondContact O-OG1 3.25Å; K813-T834 VanDerWaalsContact O-OG1 3.09Å; P814-T834 VanDerWaalsContact CA-OG1 3.26Å; P814-T834 WeakPolarHBondContact CA-OG1 3.4Å; L815-T834 PolarHBondContact N-OG1 2.83Å; L815-T834 PolarHBondContact O-N 3.42Å; L815-T834 PolarHBondContact O-OG1 2.92Å; I832-T834 HydrophobicContact CG2-CG2 4.42Å |
| 835 | F | 68 | Low | 80 | Confident | 46 Ų | 46 | 59.9 Ų | 59.9 | 20% | 0.202 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 158.1 | -178.7 | 71 | -89.6 | 0 | 0 | 0 | 113.4 | L748 V749 Q750 L885 | L748-F835 WeakPolarHBondContact O-CD1 3.32Å; L748-F835 WeakPolarHBondContact O-CE1 3.42Å; L748-F835 PolarHBondContact O-N 2.88Å; V749-F835 HydrophobicContact CG2-CE1 4.13Å; V749-F835 HydrophobicContact CG2-CE2 3.78Å; V749-F835 HydrophobicContact CG2-CZ 3.51Å; Q750-F835 WeakPolarHBondContact CG-O 3.44Å; Q750-F835 PolarHBondContact N-O 2.81Å; F835-L885 HydrophobicContact CD2-CB 4.05Å; F835-L885 HydrophobicContact CD2-CD1 4.48Å; F835-L885 HydrophobicContact CD2-CD2 4.24Å; F835-L885 HydrophobicContact CD2-CG 4.5Å; F835-L885 HydrophobicContact CE2-CB 4.07Å; F835-L885 HydrophobicContact CE2-CD2 4.35Å |
| 836 | K | 68.4 | Low | 79.6 | Confident | 144 Ų | 144 | 59.1 Ų | 59.1 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | trans | -91.8 | 135.2 | 177.5 | -170.7 | 173.6 | -178.6 | 176.6 | 0 | 110.7 | ||||
| 837 | Q | 70.6 | Confident | 78.9 | Confident | 75 Ų | 75 | 63 Ų | 63 | 35% | 0.35 | 30% | 0.298 | S | S | . | . | trans | -68.9 | 134.8 | 175.6 | -74.7 | -174.1 | -8.3 | 0 | 0 | 111.9 | V749 L885 A958 | V749-Q837 HydrophobicContact CG1-CG 3.8Å; V749-Q837 HydrophobicContact CG2-CG 4.09Å; Q837-L885 WeakPolarHBondContact CA-O 3.25Å; Q837-A958 HydrophobicContact CB-CB 4.26Å | ||
| 838 | N | 75 | Confident | 77.8 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 44% | 0.439 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 138.1 | 179 | -72 | -22.7 | 0 | 0 | 0 | 110.8 | L885 N956 | N838-L885 HydrophobicContact CB-CB 4.41Å; N838-L885 PolarHBondContact N-O 3.5Å; N838-L885 PolarHBondContact O-N 3.18Å; N838-N956 PolarHBondContact O-ND2 3.18Å |
| 839 | K | 79.5 | Confident | 76.5 | Confident | 143 Ų | 143 | 65.7 Ų | 65.7 | 62% | 0.622 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 152 | 174.2 | -80.2 | 179.8 | 178.9 | -179.6 | 0 | 111.8 | A958 | K839-A958 WeakPolarHBondContact CE-O 3.46Å; K839-A958 HydrophobicContact CG-CB 4.15Å; K839-A958 WeakPolarHBondContact CG-O 3.01Å |
| 840 | P | 84.8 | Confident | 75.4 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 140.4 | -179.6 | -19.2 | 33.5 | 0 | 0 | 0 | 112 | I883 P888 A954 N956 G959 T961 | P840-I883 CarbonylContact C-O 3.5Å; P840-I883 VanDerWaalsContact CA-O 3.29Å; P840-I883 WeakPolarHBondContact CA-O 3.35Å; P840-P888 HydrophobicContact CB-CB 3.86Å; P840-P888 HydrophobicContact CB-CG 4.28Å; P840-P888 HydrophobicContact CG-CB 3.97Å; P840-A954 HydrophobicContact CB-CB 3.83Å; P840-N956 WeakPolarHBondContact CD-OD1 3.26Å; P840-N956 HydrophobicContact CG-CB 4.12Å; P840-G959 WeakPolarHBondContact CD-O 3.26Å; P840-G959 WeakPolarHBondContact CG-O 3.37Å; P840-T961 WeakPolarHBondContact O-CB 3.47Å; P840-T961 WeakPolarHBondContact O-CG2 3.43Å; P840-T961 PolarHBondContact O-OG1 3.05Å |
| 841 | Q | 86.6 | Confident | 74 | Confident | 122 Ų | 122 | 73.6 Ų | 73.6 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 118.5 | 174.4 | 174.8 | 177 | -15.2 | 0 | 0 | 110 | L843 A882 I883 | Q841-L843 PolarHBondContact O-N 2.89Å; Q841-A882 CarbonylContact O-C 3.53Å; Q841-A882 VanDerWaalsContact O-CA 3.26Å; Q841-A882 WeakPolarHBondContact O-CA 3.42Å; Q841-I883 HydrophobicContact CB-CD1 4.43Å; Q841-I883 HydrophobicContact CB-CG1 3.92Å; Q841-I883 HydrophobicContact CG-CG1 4.48Å; Q841-I883 PolarHBondContact N-O 3.04Å; Q841-I883 PolarHBondContact O-N 3.12Å |
| 842 | I | 87.9 | Confident | 72.8 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 15% | 0.149 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 117.1 | -179.5 | -63.3 | 173.8 | 0 | 0 | 0 | 110 | K844 Q881 A882 A954 K963 | I842-K844 WeakPolarHBondContact CG2-O 3.45Å; I842-Q881 CarbonylContact C-O 3.5Å; I842-Q881 WeakPolarHBondContact CA-O 3Å; I842-A882 HydrophobicContact CG1-CB 4.09Å; I842-A954 HydrophobicContact CD1-CB 4.16Å; I842-A954 HydrophobicContact CG1-CB 3.94Å; I842-K963 HydrophobicContact CB-CB 4.41Å; I842-K963 HydrophobicContact CD1-CB 3.91Å; I842-K963 HydrophobicContact CG2-CB 3.93Å; I842-K963 HydrophobicContact CG2-CG 4.38Å |
| 843 | L | 86.9 | Confident | 71.3 | Confident | 58 Ų | 58 | 78.6 Ų | 78.6 | 30% | 0.304 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -43 | 176.9 | -58.7 | -177.4 | 0 | 0 | 0 | 112.6 | Q841 I846 Q881 I883 I931 | Q841-L843 PolarHBondContact O-N 2.89Å; L843-I846 VanDerWaalsContact O-CG1 3.24Å; L843-I846 WeakPolarHBondContact O-CG1 3.33Å; L843-Q881 HydrophobicContact CB-CB 4.19Å; L843-Q881 PolarHBondContact N-O 2.86Å; L843-I883 HydrophobicContact CD1-CG2 3.77Å; L843-I883 HydrophobicContact CD2-CD1 4.26Å; L843-I883 HydrophobicContact CD2-CG1 4.39Å; L843-I883 HydrophobicContact CG-CG1 4.46Å; L843-I883 HydrophobicContact CG-CG2 4.4Å; L843-I931 HydrophobicContact CD1-CD1 3.75Å; L843-I931 HydrophobicContact CD1-CG1 3.94Å; L843-I931 HydrophobicContact CD1-CG2 4.41Å |
| 844 | K | 82.8 | Confident | 69.7 | Low | 88 Ų | 88 | 79.9 Ų | 79.9 | 38% | 0.383 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.2 | 170.8 | -63.6 | -172.6 | -172 | 141.9 | 0 | 109.3 | I842 I846 I879 C880 Q881 | I842-K844 WeakPolarHBondContact CG2-O 3.45Å; K844-I846 HydrophobicContact CG-CG1 4.35Å; K844-I879 HydrophobicContact CD-CG2 4.49Å; K844-C880 CarbonylContact O-C 3.43Å; K844-C880 VanDerWaalsContact O-CA 3.26Å; K844-C880 WeakPolarHBondContact O-CA 2.96Å; K844-C880 PolarHBondContact O-SG 3.26Å; K844-Q881 HydrophobicContact CB-CB 3.91Å; K844-Q881 HydrophobicContact CB-CG 4.15Å; K844-Q881 HydrophobicContact CD-CG 4.29Å; K844-Q881 HydrophobicContact CG-CB 4.25Å; K844-Q881 HydrophobicContact CG-CG 4.35Å; K844-Q881 PolarHBondContact N-O 3.25Å; K844-Q881 PolarHBondContact O-N 3.06Å |
| 845 | P | 78 | Confident | 68.2 | Low | 13 Ų | 13 | 84.6 Ų | 84.6 | 8% | 0.084 | 41% | 0.407 | C | S | . | . | cis | -68.2 | 139.5 | -0.5 | 29.9 | -37.9 | 0 | 0 | 0 | 112.3 | W892 K963 I965 | P845-W892 HydrophobicContact CG-CH2 4.44Å; P845-K963 HydrophobicContact CG-CB 4.44Å; P845-K963 HydrophobicContact CG-CG 3.78Å; P845-K963 PolarHBondContact O-NZ 2.84Å; P845-I965 HydrophobicContact CB-CD1 3.64Å; P845-I965 HydrophobicContact CB-CG1 3.77Å; P845-I965 HydrophobicContact CG-CD1 3.67Å; P845-I965 HydrophobicContact CG-CG1 3.52Å | ||
| 846 | I | 70.8 | Confident | 66.5 | Low | 125 Ų | 125 | 89.7 Ų | 89.7 | 64% | 0.641 | 44% | 0.436 | S | S | * | . | trans | -77.1 | -46.8 | 177.9 | -62.4 | 169 | 0 | 0 | 0 | 109.4 | L843 K844 K963 | L843-I846 VanDerWaalsContact O-CG1 3.24Å; L843-I846 WeakPolarHBondContact O-CG1 3.33Å; K844-I846 HydrophobicContact CG-CG1 4.35Å; I846-K963 PolarHBondContact O-NZ 2.9Å | ||
| 847 | E | 66.2 | Low | 64.8 | Low | 137 Ų | 137 | 91 Ų | 91 | 64% | 0.64 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -93.3 | 155.8 | -178 | -57.7 | -172.4 | 163.7 | 0 | 0 | 111.7 | I849 | E847-I849 VanDerWaalsContact C-N 3.34Š|
| 848 | N | 64.4 | Low | 62.8 | Low | 103 Ų | 103 | 96 Ų | 96 | 55% | 0.551 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -88.7 | -4.1 | 178.6 | -61.1 | -17.3 | 0 | 0 | 0 | 112.6 | K963 I965 K966 | N848-K963 WeakPolarHBondContact OD1-CE 3.33Å; N848-I965 CarbonylContact O-C 3.44Å; N848-I965 WeakPolarHBondContact O-CA 3.33Å; N848-K966 PolarHBondContact O-N 2.88Å |
| 849 | I | 59 | Low | 60.7 | Low | 68 Ų | 68 | 97.2 Ų | 97.2 | 35% | 0.349 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 139.6 | -176.8 | -61.9 | 173.8 | 0 | 0 | 0 | 106.7 | E847 F851 K966 I968 | E847-I849 VanDerWaalsContact C-N 3.34Å; I849-F851 HydrophobicContact CG2-CD2 4.14Å; I849-F851 HydrophobicContact CG2-CE1 4.27Å; I849-F851 HydrophobicContact CG2-CE2 3.76Å; I849-F851 HydrophobicContact CG2-CZ 3.84Å; I849-K966 WeakPolarHBondContact CA-O 3.46Å; I849-K966 HydrophobicContact CG1-CB 4.48Å; I849-I968 HydrophobicContact CG2-CD1 3.65Å; I849-I968 HydrophobicContact CG2-CG1 4.11Å |
| 850 | Q | 62.8 | Low | 58.3 | Low | 75 Ų | 75 | 95.7 Ų | 95.7 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 118.7 | 172.9 | -160.3 | 175.1 | -9.1 | 0 | 0 | 108.3 | I965 K966 L967 I968 | Q850-I965 HydrophobicContact CB-CG2 3.92Å; Q850-K966 PolarHBondContact N-O 3.37Å; Q850-L967 HydrophobicContact CB-CD2 3.85Å; Q850-I968 PolarHBondContact O-N 2.9Å; Q850-I968 VanDerWaalsContact O-N 3.15Å |
| 851 | F | 53.9 | Low | 55.7 | Low | 122 Ų | 122 | 101.8 Ų | 101.8 | 54% | 0.535 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 127.6 | -178 | -69.1 | -79.2 | 0 | 0 | 0 | 110.6 | I849 I968 L970 | I849-F851 HydrophobicContact CG2-CD2 4.14Å; I849-F851 HydrophobicContact CG2-CE1 4.27Å; I849-F851 HydrophobicContact CG2-CE2 3.76Å; I849-F851 HydrophobicContact CG2-CZ 3.84Å; F851-I968 WeakPolarHBondContact CA-O 3.45Å; F851-I968 HydrophobicContact CD1-CB 4Å; F851-I968 HydrophobicContact CD1-CG2 4.07Å; F851-I968 HydrophobicContact CE1-CB 4.17Å; F851-I968 HydrophobicContact CE1-CD1 4.07Å; F851-I968 HydrophobicContact CE1-CG2 4.07Å; F851-L970 HydrophobicContact CB-CD1 4.28Å; F851-L970 HydrophobicContact CD1-CD1 3.68Å; F851-L970 HydrophobicContact CD1-CG 4.31Å; F851-L970 HydrophobicContact CE1-CD1 4.39Å; F851-L970 HydrophobicContact CG-CD1 4.27Å |
| 852 | I | 57.2 | Low | 53 | Low | 22 Ų | 22 | 104.1 Ų | 104.1 | 11% | 0.113 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 107.2 | 178 | -59.3 | 151.6 | 0 | 0 | 0 | 107.4 | I876 L967 I968 Y969 L970 | I852-I876 HydrophobicContact CD1-CD1 3.69Å; I852-I876 HydrophobicContact CD1-CG1 4.37Å; I852-I876 HydrophobicContact CD1-CG2 4.4Å; I852-I876 HydrophobicContact CG1-CD1 4.31Å; I852-I876 HydrophobicContact CG1-CG2 4.48Å; I852-I876 HydrophobicContact CG2-CD1 4.34Å; I852-I876 HydrophobicContact CG2-CG1 4.48Å; I852-L967 HydrophobicContact CD1-CB 4.1Å; I852-L967 HydrophobicContact CD1-CD1 4.25Å; I852-L967 HydrophobicContact CD1-CD2 4.23Å; I852-L967 HydrophobicContact CD1-CG 4.42Å; I852-I968 PolarHBondContact N-O 3.18Å; I852-Y969 HydrophobicContact CB-CD1 3.85Å; I852-Y969 HydrophobicContact CB-CE1 4.17Å; I852-Y969 HydrophobicContact CD1-CD1 3.9Å; I852-Y969 HydrophobicContact CD1-CE1 3.58Å; I852-Y969 HydrophobicContact CD1-CE2 4.33Å; I852-Y969 HydrophobicContact CD1-CG 4.4Å; I852-Y969 HydrophobicContact CG1-CE1 4.45Å; I852-Y969 HydrophobicContact CG2-CD1 3.76Å; I852-Y969 HydrophobicContact CG2-CE1 3.85Å; I852-L970 PolarHBondContact O-N 3.1Å |
| 853 | K | 46.1 | Very low | 50.1 | Low | 149 Ų | 149 | 108.7 Ų | 108.7 | 65% | 0.648 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 132.1 | 170.2 | -77.8 | -168.8 | 171.1 | -166.9 | 0 | 110 | ||
| 854 | T | 43.7 | Very low | 47.3 | Very low | 58 Ų | 58 | 115.7 Ų | 115.7 | 36% | 0.356 | 57% | 0.574 | S | S | . | * | trans | -106.6 | 63.5 | 177 | 48.2 | 0 | 0 | 0 | 0 | 111.6 | L856 | T854-L856 PolarHBondContact O-N 3.33Š| ||
| 855 | N | 38.9 | Very low | 44.9 | Very low | 114 Ų | 114 | 117.8 Ų | 117.8 | 61% | 0.61 | 59% | 0.594 | S | S | * | * | trans | -77.8 | 114.5 | 176.1 | -81.5 | 73.3 | 0 | 0 | 0 | 111.2 | ||||
| 856 | L | 33 | Very low | 42.5 | Very low | 153 Ų | 153 | 123.7 Ų | 123.7 | 80% | 0.801 | 62% | 0.623 | S | S | * | * | trans | -86.4 | 171.1 | 158.2 | -75.8 | 85.2 | 0 | 0 | 0 | 110.2 | T854 | T854-L856 PolarHBondContact O-N 3.33Š| ||
| 857 | Q | 33.1 | Very low | 40.6 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | trans | 83.1 | 115.9 | 170.5 | -58.3 | -178.6 | -37.1 | 0 | 0 | 118.1 | ||||
| 858 | Q | 29.4 | Very low | 38.9 | Very low | 179 Ų | 179 | 126 Ų | 126 | 84% | 0.836 | 64% | 0.639 | S | S | * | * | trans | 23.2 | 126 | 134.8 | -62.7 | 152.9 | -45.6 | 0 | 0 | 116.8 | ||||
| 859 | S | 29.1 | Very low | 37.3 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 65% | 0.651 | S | S | * | * | cis | -169.4 | -170.1 | 32.2 | 56 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 860 | T | 30.7 | Very low | 36 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 68% | 0.681 | 67% | 0.672 | S | S | * | * | cis | -155.9 | 177.5 | -1.3 | -18.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 861 | L | 29.1 | Very low | 34.4 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 69% | 0.686 | 70% | 0.696 | S | S | * | * | trans | 39.8 | 94.2 | 148.2 | -74.5 | 160.2 | 0 | 0 | 0 | 119.8 | ||||
| 862 | F | 29.8 | Very low | 33.5 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | 178.2 | 143.5 | 88.2 | -104.5 | -70 | 0 | 0 | 0 | 114.2 | |||||
| 863 | N | 26.8 | Very low | 32.7 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | trans | -28.2 | 132.6 | 175.9 | -49 | -15.9 | 0 | 0 | 0 | 118.5 | ||||
| 864 | Y | 28.9 | Very low | 32.8 | Very low | 206 Ų | 206 | 141.4 Ų | 141.4 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | -161.8 | 158.9 | 84.9 | -115.6 | -87.4 | 0 | 0 | 0 | 113.6 | |||||
| 865 | T | 31.8 | Very low | 33.1 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | trans | -24 | 143.6 | -176.5 | 46.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 866 | I | 27 | Very low | 34.4 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 70% | 0.697 | 72% | 0.716 | S | S | * | * | trans | -112.9 | 146.8 | -177.4 | -60.3 | 162 | 0 | 0 | 0 | 110.7 | T868 | I866-T868 HydrophobicContact CG2-CG2 3.57Š| ||
| 867 | H | 32.1 | Very low | 36.4 | Very low | 200 Ų | 200 | 134.1 Ų | 134.1 | 93% | 0.926 | 70% | 0.698 | S | S | * | * | trans | -118.7 | 133.1 | 146.1 | -103.2 | -79.5 | 0 | 0 | 0 | 109.8 | ||||
| 868 | T | 29.2 | Very low | 38.8 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 68% | 0.681 | 66% | 0.659 | S | S | * | * | trans | -101.7 | 145.2 | -165.9 | 41.6 | 0 | 0 | 0 | 0 | 113.5 | I866 | I866-T868 HydrophobicContact CG2-CG2 3.57Š| ||
| 869 | T | 31.1 | Very low | 41.5 | Very low | 130 Ų | 130 | 120.2 Ų | 120.2 | 80% | 0.798 | 63% | 0.634 | S | S | * | * | trans | -160.2 | 137.6 | 134.4 | 1.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 870 | N | 32.3 | Very low | 44.4 | Very low | 149 Ų | 149 | 115 Ų | 115 | 80% | 0.797 | 60% | 0.598 | S | S | * | * | trans | 56.6 | 73.1 | 159.3 | -60.7 | -7.7 | 0 | 0 | 0 | 119.3 | T872 | N870-T872 PolarHBondContact O-N 3.24Š| ||
| 871 | I | 29.5 | Very low | 47.2 | Very low | 168 Ų | 168 | 111.3 Ų | 111.3 | 86% | 0.862 | 57% | 0.573 | S | S | * | * | trans | -62.8 | 119.6 | 159.4 | -62 | 158.8 | 0 | 0 | 0 | 110.8 | ||||
| 872 | T | 35.1 | Very low | 50 | Low | 113 Ų | 113 | 105.1 Ų | 105.1 | 69% | 0.693 | 54% | 0.54 | S | S | * | . | trans | -143.5 | 106.6 | 158.2 | 48.9 | 0 | 0 | 0 | 0 | 114.4 | N870 | N870-T872 PolarHBondContact O-N 3.24Š| ||
| 873 | K | 40.7 | Very low | 52.7 | Low | 177 Ų | 177 | 98 Ų | 98 | 77% | 0.77 | 51% | 0.51 | S | S | * | . | trans | 54.6 | 99 | 137.2 | -59.9 | 169.3 | -178.8 | 170.8 | 0 | 118.7 | S875 | K873-S875 PolarHBondContact O-N 2.84Š| ||
| 874 | N | 47 | Very low | 55 | Low | 126 Ų | 126 | 92.8 Ų | 92.8 | 67% | 0.674 | 49% | 0.485 | S | S | * | . | trans | 43.5 | 57.8 | 146.3 | -59.1 | 17 | 0 | 0 | 0 | 117 | L941 | N874-L941 HydrophobicContact CB-CD1 4.15Š| ||
| 875 | S | 51.1 | Low | 56.9 | Low | 63 Ų | 63 | 86.7 Ų | 86.7 | 44% | 0.441 | 47% | 0.466 | S | S | . | . | trans | -90.2 | 153.2 | 168 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | K873 L938 | K873-S875 PolarHBondContact O-N 2.84Å; S875-L938 WeakPolarHBondContact CA-O 3.5Å; S875-L938 WeakPolarHBondContact CB-O 3.4Å | ||
| 876 | I | 65.4 | Low | 58.8 | Low | 21 Ų | 21 | 82.1 Ų | 82.1 | 11% | 0.108 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.8 | 176.4 | -61.7 | 149.1 | 0 | 0 | 0 | 108.7 | I852 H937 L938 L941 Y969 | I852-I876 HydrophobicContact CD1-CD1 3.69Å; I852-I876 HydrophobicContact CD1-CG1 4.37Å; I852-I876 HydrophobicContact CD1-CG2 4.4Å; I852-I876 HydrophobicContact CG1-CD1 4.31Å; I852-I876 HydrophobicContact CG1-CG2 4.48Å; I852-I876 HydrophobicContact CG2-CD1 4.34Å; I852-I876 HydrophobicContact CG2-CG1 4.48Å; I876-H937 WeakPolarHBondContact O-CA 3.3Å; I876-L938 HydrophobicContact CB-CB 4.26Å; I876-L938 HydrophobicContact CB-CD1 4.49Å; I876-L938 PolarHBondContact N-O 2.91Å; I876-L938 VanDerWaalsContact N-O 3.15Å; I876-L938 WeakPolarHBondContact O-CD1 3.48Å; I876-L938 PolarHBondContact O-N 3.31Å; I876-L941 HydrophobicContact CD1-CD1 4.13Å; I876-L941 HydrophobicContact CD1-CG 4.41Å; I876-Y969 HydrophobicContact CD1-CE1 3.95Å; I876-Y969 WeakPolarHBondContact CD1-OH 3.31Å |
| 877 | E | 75.2 | Confident | 61.2 | Low | 87 Ų | 87 | 78.7 Ų | 78.7 | 41% | 0.407 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 119 | -176.3 | -51.5 | -163.1 | 151.1 | 0 | 0 | 112.2 | I879 I935 H937 | E877-I879 HydrophobicContact CB-CG1 4.47Å; E877-I935 HydrophobicContact CB-CG2 4.33Å; E877-H937 IonicContact OE1-CE1 3.03Å; E877-H937 PolarHBondContact OE1-CE1 2.71Å; E877-H937 IonicContact OE1-ND1 2.95Å; E877-H937 PolarHBondContact OE1-ND1 3.45Å |
| 878 | L | 82.9 | Confident | 63.6 | Low | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 106.7 | 168.4 | -58.4 | -170.6 | 0 | 0 | 0 | 109.6 | W892 I935 Y936 L938 Y950 I965 L967 | L878-W892 HydrophobicContact CB-CD2 4.32Å; L878-W892 HydrophobicContact CB-CH2 3.88Å; L878-W892 HydrophobicContact CB-CZ2 3.53Å; L878-W892 HydrophobicContact CB-CZ3 4.36Å; L878-W892 HydrophobicContact CD1-CE3 4.3Å; L878-W892 HydrophobicContact CD1-CZ3 4.24Å; L878-W892 WeakPolarHBondContact O-CZ2 3.41Å; L878-W892 PolarHBondContact O-NE1 2.86Å; L878-W892 VanDerWaalsContact O-NE1 3.15Å; L878-I935 WeakPolarHBondContact O-CA 3.49Å; L878-Y936 HydrophobicContact CD1-CD1 4.13Å; L878-Y936 HydrophobicContact CG-CD1 4.44Å; L878-Y936 PolarHBondContact N-O 2.71Å; L878-Y936 PolarHBondContact O-N 2.99Å; L878-L938 HydrophobicContact CD1-CD1 3.86Å; L878-L938 HydrophobicContact CD2-CD1 4.37Å; L878-L938 HydrophobicContact CG-CD1 3.64Å; L878-Y950 HydrophobicContact CD1-CD1 3.7Å; L878-Y950 HydrophobicContact CD1-CD2 3.81Å; L878-Y950 HydrophobicContact CD1-CE1 4.21Å; L878-Y950 HydrophobicContact CD1-CE2 4.31Å; L878-Y950 HydrophobicContact CD1-CG 3.49Å; L878-Y950 VanDerWaalsContact CD1-CG 3.49Å; L878-I965 HydrophobicContact CD2-CD1 4.15Å; L878-L967 HydrophobicContact CD2-CD1 4.35Å; L878-L967 HydrophobicContact CD2-CD2 4.01Å |
| 879 | I | 87.1 | Confident | 66.4 | Low | 59 Ų | 59 | 66 Ų | 66 | 30% | 0.303 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 112.9 | -179.2 | -56.8 | 173 | 0 | 0 | 0 | 109.5 | K844 E877 Q881 T933 I935 | K844-I879 HydrophobicContact CD-CG2 4.49Å; E877-I879 HydrophobicContact CB-CG1 4.47Å; I879-Q881 HydrophobicContact CG2-CG 4.12Å; I879-T933 HydrophobicContact CG2-CG2 4.06Å; I879-I935 HydrophobicContact CG1-CG1 4.26Å; I879-I935 HydrophobicContact CG1-CG2 4.28Å; I879-I935 HydrophobicContact CG2-CG1 4.49Å |
| 880 | C | 89.4 | Confident | 69.3 | Low | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137.8 | 166.9 | -168.1 | 0 | 0 | 0 | 0 | 110.1 | K844 I890 W892 T933 C934 C952 | K844-C880 CarbonylContact O-C 3.43Å; K844-C880 VanDerWaalsContact O-CA 3.26Å; K844-C880 WeakPolarHBondContact O-CA 2.96Å; K844-C880 PolarHBondContact O-SG 3.26Å; C880-I890 HydrophobicContact CB-CG2 4.09Å; C880-W892 HydrophobicContact CB-CH2 4.24Å; C880-W892 HydrophobicContact CB-CZ2 3.54Å; C880-T933 CarbonylContact O-C 3.58Å; C880-T933 WeakPolarHBondContact O-CA 3.44Å; C880-C934 PolarHBondContact N-O 2.83Å; C880-C934 PolarHBondContact O-N 3.23Å; C880-C952 HydrophobicContact CB-CB 3.65Å; C880-C952 WeakPolarHBondContact CB-SG 3.2Å; C880-C952 WeakPolarHBondContact SG-CB 3.49Å; C880-C952 CovalentContact SG-SG 2.02Å; C880-C952 PolarHBondContact SG-SG 2.98Å |
| 881 | Q | 89.7 | Confident | 72.1 | Confident | 33 Ų | 33 | 55.4 Ų | 55.4 | 15% | 0.154 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.5 | 174.9 | -71 | -164.4 | -61.5 | 0 | 0 | 108.5 | I842 L843 K844 I879 I931 Q932 T933 | I842-Q881 CarbonylContact C-O 3.5Å; I842-Q881 WeakPolarHBondContact CA-O 3Å; L843-Q881 HydrophobicContact CB-CB 4.19Å; L843-Q881 PolarHBondContact N-O 2.86Å; K844-Q881 HydrophobicContact CB-CB 3.91Å; K844-Q881 HydrophobicContact CB-CG 4.15Å; K844-Q881 HydrophobicContact CD-CG 4.29Å; K844-Q881 HydrophobicContact CG-CB 4.25Å; K844-Q881 HydrophobicContact CG-CG 4.35Å; K844-Q881 PolarHBondContact N-O 3.25Å; K844-Q881 PolarHBondContact O-N 3.06Å; I879-Q881 HydrophobicContact CG2-CG 4.12Å; Q881-I931 HydrophobicContact CB-CG2 3.57Å; Q881-I931 HydrophobicContact CG-CG2 3.93Å; Q881-Q932 CarbonylContact C-O 3.47Å; Q881-Q932 VanDerWaalsContact CA-O 3.3Å; Q881-Q932 WeakPolarHBondContact CA-O 3.23Å; Q881-T933 HydrophobicContact CG-CG2 3.86Å; Q881-T933 PolarHBondContact NE2-OG1 3.24Å |
| 882 | A | 87.6 | Confident | 75 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 139.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q841 I842 P888 I890 Q932 A954 | Q841-A882 CarbonylContact O-C 3.53Å; Q841-A882 VanDerWaalsContact O-CA 3.26Å; Q841-A882 WeakPolarHBondContact O-CA 3.42Å; I842-A882 HydrophobicContact CG1-CB 4.09Å; A882-P888 HydrophobicContact CB-CG 3.87Å; A882-I890 HydrophobicContact CB-CD1 3.86Å; A882-I890 HydrophobicContact CB-CG1 4.42Å; A882-Q932 PolarHBondContact N-O 3.07Å; A882-Q932 PolarHBondContact O-N 3.35Å; A882-A954 HydrophobicContact CB-CB 3.8Å |
| 883 | I | 87.2 | Confident | 77.5 | Confident | 24 Ų | 24 | 43.4 Ų | 43.4 | 12% | 0.123 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 155.8 | 170.8 | 57.2 | 174 | 0 | 0 | 0 | 110 | P840 Q841 L843 Q929 I931 | P840-I883 CarbonylContact C-O 3.5Å; P840-I883 VanDerWaalsContact CA-O 3.29Å; P840-I883 WeakPolarHBondContact CA-O 3.35Å; Q841-I883 HydrophobicContact CB-CD1 4.43Å; Q841-I883 HydrophobicContact CB-CG1 3.92Å; Q841-I883 HydrophobicContact CG-CG1 4.48Å; Q841-I883 PolarHBondContact N-O 3.04Å; Q841-I883 PolarHBondContact O-N 3.12Å; L843-I883 HydrophobicContact CD1-CG2 3.77Å; L843-I883 HydrophobicContact CD2-CD1 4.26Å; L843-I883 HydrophobicContact CD2-CG1 4.39Å; L843-I883 HydrophobicContact CG-CG1 4.46Å; L843-I883 HydrophobicContact CG-CG2 4.4Å; I883-Q929 HydrophobicContact CG2-CB 4.33Å; I883-I931 HydrophobicContact CG2-CB 4.42Å; I883-I931 HydrophobicContact CG2-CG1 3.84Å |
| 884 | G | 74.5 | Confident | 79.7 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 13% | 0.134 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.9 | 158.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | P886 K887 | G884-P886 CarbonylContact C-O 3.54Å; G884-P886 CarbonylContact O-C 3.56Å; G884-P886 VanDerWaalsContact O-C 3.31Å; G884-K887 PolarHBondContact O-N 3.03Å |
| 885 | L | 69.5 | Low | 81.4 | Confident | 78 Ų | 78 | 33.1 Ų | 33.1 | 41% | 0.408 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 110.8 | 175.9 | -78.4 | 169 | 0 | 0 | 0 | 109.7 | F835 Q837 N838 | F835-L885 HydrophobicContact CD2-CB 4.05Å; F835-L885 HydrophobicContact CD2-CD1 4.48Å; F835-L885 HydrophobicContact CD2-CD2 4.24Å; F835-L885 HydrophobicContact CD2-CG 4.5Å; F835-L885 HydrophobicContact CE2-CB 4.07Å; F835-L885 HydrophobicContact CE2-CD2 4.35Å; Q837-L885 WeakPolarHBondContact CA-O 3.25Å; N838-L885 HydrophobicContact CB-CB 4.41Å; N838-L885 PolarHBondContact N-O 3.5Å; N838-L885 PolarHBondContact O-N 3.18Å |
| 886 | P | 71.4 | Confident | 82.5 | Confident | 36 Ų | 36 | 33.7 Ų | 33.7 | 23% | 0.234 | 17% | 0.172 | C | C | . | . | S | Bend | cis | -63.2 | 166.6 | -5.4 | 28.9 | -35.6 | 0 | 0 | 0 | 112.7 | G884 N956 I957 | G884-P886 CarbonylContact C-O 3.54Å; G884-P886 CarbonylContact O-C 3.56Å; G884-P886 VanDerWaalsContact O-C 3.31Å; P886-N956 HydrophobicContact CG-CB 4.4Å; P886-N956 WeakPolarHBondContact O-CB 3.45Å; P886-N956 PolarHBondContact O-ND2 3.2Å; P886-I957 HydrophobicContact CG-CB 4.29Å; P886-I957 HydrophobicContact CG-CD1 3.91Å; P886-I957 HydrophobicContact CG-CG1 3.88Å |
| 887 | K | 77.1 | Confident | 82.6 | Confident | 64 Ų | 64 | 36.4 Ų | 36.4 | 28% | 0.278 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -51.5 | 142.3 | 179.7 | -157.9 | -179.6 | -159.3 | -161.7 | 0 | 110.6 | G884 I914 Q932 | G884-K887 PolarHBondContact O-N 3.03Å; K887-I914 HydrophobicContact CB-CD1 4.06Å; K887-I914 WeakPolarHBondContact O-CD1 3.47Å; K887-Q932 HydrophobicContact CD-CB 4.36Å; K887-Q932 HydrophobicContact CG-CB 4.12Å |
| 888 | P | 83.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | P | Polyproline II helix | trans | -89.7 | 141 | -176.6 | 32.9 | -34.1 | 0 | 0 | 0 | 113.8 | P840 A882 Q932 A954 T955 N956 | P840-P888 HydrophobicContact CB-CB 3.86Å; P840-P888 HydrophobicContact CB-CG 4.28Å; P840-P888 HydrophobicContact CG-CB 3.97Å; A882-P888 HydrophobicContact CB-CG 3.87Å; P888-Q932 HydrophobicContact CG-CB 4.34Å; P888-Q932 WeakPolarHBondContact O-CG 3.49Å; P888-A954 HydrophobicContact CB-CB 4.19Å; P888-T955 CarbonylContact C-O 3.56Å; P888-T955 WeakPolarHBondContact CA-O 3.29Å; P888-T955 WeakPolarHBondContact CB-O 3.32Å; P888-N956 HydrophobicContact CB-CB 4.42Å |
| 889 | T | 87.9 | Confident | 80.7 | Confident | 46 Ų | 46 | 44.4 Ų | 44.4 | 28% | 0.282 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 137.9 | 160.6 | -9.4 | 0 | 0 | 0 | 0 | 108.8 | A954 T955 | T889-A954 CarbonylContact O-C 3.56Å; T889-A954 WeakPolarHBondContact O-CA 3.4Å; T889-T955 VanDerWaalsContact CB-OG1 3.27Å; T889-T955 WeakPolarHBondContact CB-OG1 3.37Å; T889-T955 PolarHBondContact N-O 3.26Å; T889-T955 PolarHBondContact O-N 2.84Å; T889-T955 PolarHBondContact O-OG1 3.21Å; T889-T955 PolarHBondContact OG1-O 3.04Å; T889-T955 VanDerWaalsContact OG1-O 3.13Å; T889-T955 PolarHBondContact OG1-OG1 3.25Å; T889-T955 VanDerWaalsContact OG1-OG1 3.06Å |
| 890 | I | 90.5 | Very high | 79 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134.5 | 178.8 | -62.3 | -178.8 | 0 | 0 | 0 | 111.2 | C880 A882 T911 C912 Q932 C934 C952 L953 A954 | C880-I890 HydrophobicContact CB-CG2 4.09Å; A882-I890 HydrophobicContact CB-CD1 3.86Å; A882-I890 HydrophobicContact CB-CG1 4.42Å; I890-T911 CarbonylContact O-C 3.56Å; I890-T911 WeakPolarHBondContact O-CA 3.39Å; I890-C912 PolarHBondContact N-O 3.38Å; I890-C912 VanDerWaalsContact N-O 3.09Å; I890-C912 PolarHBondContact O-N 3.07Å; I890-Q932 HydrophobicContact CD1-CB 3.83Å; I890-Q932 HydrophobicContact CD1-CG 3.65Å; I890-Q932 VanDerWaalsContact CD1-O 3.32Å; I890-Q932 WeakPolarHBondContact CD1-O 3.42Å; I890-Q932 HydrophobicContact CG1-CB 4.37Å; I890-Q932 HydrophobicContact CG1-CG 3.92Å; I890-C934 HydrophobicContact CB-CB 3.79Å; I890-C934 HydrophobicContact CD1-CB 4.14Å; I890-C934 HydrophobicContact CG2-CB 3.49Å; I890-C934 VanDerWaalsContact CG2-CB 3.49Å; I890-C952 WeakPolarHBondContact CG2-SG 3.36Å; I890-L953 CarbonylContact C-O 3.58Å; I890-L953 WeakPolarHBondContact CA-O 3.27Å; I890-A954 HydrophobicContact CG1-CB 4.35Å |
| 891 | Q | 91.6 | Very high | 77.4 | Confident | 56 Ų | 56 | 56.4 Ų | 56.4 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132.2 | 174.5 | -56.7 | -171.5 | -36.2 | 0 | 0 | 111 | H910 T911 C952 L953 | Q891-H910 WeakPolarHBondContact CA-O 3.3Å; Q891-T911 HydrophobicContact CG-CG2 4Å; Q891-C952 CarbonylContact O-C 3.58Å; Q891-C952 WeakPolarHBondContact O-CA 3.43Å; Q891-L953 HydrophobicContact CB-CB 4.42Å; Q891-L953 PolarHBondContact N-O 3.23Å; Q891-L953 PolarHBondContact O-N 2.93Å |
| 892 | W | 91 | Very high | 75.7 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.7 | 165.9 | -85.1 | 116 | 0 | 0 | 0 | 109.8 | P845 L878 C880 N908 V909 H910 C934 Q951 C952 I965 | P845-W892 HydrophobicContact CG-CH2 4.44Å; L878-W892 HydrophobicContact CB-CD2 4.32Å; L878-W892 HydrophobicContact CB-CH2 3.88Å; L878-W892 HydrophobicContact CB-CZ2 3.53Å; L878-W892 HydrophobicContact CB-CZ3 4.36Å; L878-W892 HydrophobicContact CD1-CE3 4.3Å; L878-W892 HydrophobicContact CD1-CZ3 4.24Å; L878-W892 WeakPolarHBondContact O-CZ2 3.41Å; L878-W892 PolarHBondContact O-NE1 2.86Å; L878-W892 VanDerWaalsContact O-NE1 3.15Å; C880-W892 HydrophobicContact CB-CH2 4.24Å; C880-W892 HydrophobicContact CB-CZ2 3.54Å; W892-N908 PolarHBondContact O-OD1 2.94Å; W892-N908 VanDerWaalsContact O-OD1 3.12Å; W892-V909 HydrophobicContact CB-CG2 3.93Å; W892-V909 WeakPolarHBondContact O-CG2 3.19Å; W892-V909 PolarHBondContact O-N 3.24Å; W892-H910 HydrophobicContact CB-CB 4.21Å; W892-H910 PolarHBondContact N-O 3.35Å; W892-H910 PolarHBondContact O-N 2.82Å; W892-C934 PolarHBondContact NE1-O 3.06Å; W892-C934 VanDerWaalsContact NE1-O 3.14Å; W892-Q951 CarbonylContact C-O 3.59Å; W892-Q951 WeakPolarHBondContact CA-O 3.5Å; W892-C952 HydrophobicContact CD2-CB 4.46Å; W892-C952 HydrophobicContact CE3-CB 4.13Å; W892-C952 HydrophobicContact CH2-CB 3.98Å; W892-C952 HydrophobicContact CZ2-CB 4.35Å; W892-C952 HydrophobicContact CZ3-CB 3.87Å; W892-I965 HydrophobicContact CH2-CD1 3.6Å; W892-I965 HydrophobicContact CH2-CG1 4.4Å; W892-I965 HydrophobicContact CZ3-CD1 4.05Å |
| 893 | M | 88 | Confident | 74.1 | Confident | 28 Ų | 28 | 60.9 Ų | 60.9 | 14% | 0.138 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.3 | 177.9 | -41.6 | -178.3 | 88.5 | 0 | 0 | 110.9 | W906 F907 Y950 Q951 L953 | M893-W906 HydrophobicContact CB-CB 4.2Å; M893-W906 HydrophobicContact CB-CD2 4.43Å; M893-W906 HydrophobicContact CB-CE3 3.9Å; M893-W906 HydrophobicContact CE-CB 3.76Å; M893-W906 HydrophobicContact SD-CB 4.01Å; M893-W906 HydrophobicContact SD-CG 4.41Å; M893-F907 CarbonylContact C-O 3.51Å; M893-F907 WeakPolarHBondContact CA-O 3.3Å; M893-F907 WeakPolarHBondContact CB-O 3.44Å; M893-Y950 CarbonylContact O-C 3.58Å; M893-Y950 WeakPolarHBondContact O-CA 3.31Å; M893-Q951 HydrophobicContact CB-CB 4.32Å; M893-Q951 PolarHBondContact N-O 2.82Å; M893-Q951 PolarHBondContact O-N 2.78Å; M893-L953 HydrophobicContact SD-CD2 4.22Å |
| 894 | K | 86 | Confident | 72.8 | Confident | 81 Ų | 81 | 64.4 Ų | 64.4 | 35% | 0.352 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 138.8 | 172.7 | -176.6 | 179.3 | 176.5 | -175 | 0 | 109.5 | F907 V909 Y950 | K894-F907 PolarHBondContact N-O 3.38Å; K894-F907 PolarHBondContact O-N 3.48Å; K894-V909 HydrophobicContact CB-CG1 3.57Å; K894-V909 HydrophobicContact CD-CG1 4.45Å; K894-Y950 HydrophobicContact CB-CD1 4.01Å; K894-Y950 HydrophobicContact CB-CE1 3.71Å; K894-Y950 HydrophobicContact CD-CE1 4.12Å; K894-Y950 HydrophobicContact CG-CD1 4.38Å; K894-Y950 HydrophobicContact CG-CE1 3.8Å |
| 895 | A | 82.5 | Confident | 72.7 | Confident | 7 Ų | 7 | 70.4 Ų | 70.4 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 129.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | Y897 F903 W906 H949 | A895-Y897 HydrophobicContact CB-CD2 4.42Å; A895-Y897 HydrophobicContact CB-CE2 3.69Å; A895-F903 HydrophobicContact CB-CD2 4.13Å; A895-F903 HydrophobicContact CB-CE2 3.92Å; A895-W906 HydrophobicContact CB-CE3 4Å; A895-W906 HydrophobicContact CB-CH2 3.98Å; A895-W906 HydrophobicContact CB-CZ3 3.64Å; A895-H949 HydrophobicContact CB-CB 4.02Å; A895-H949 PolarHBondContact N-O 2.86Å |
| 896 | I | 74.1 | Confident | 73.3 | Confident | 74 Ų | 74 | 69.1 Ų | 69.1 | 38% | 0.379 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 131.7 | 169.6 | -55.2 | -179.7 | 0 | 0 | 0 | 108.3 | I904 K905 F907 | I896-I904 HydrophobicContact CG2-CD1 4.23Å; I896-I904 PolarHBondContact O-N 3.07Å; I896-K905 PolarHBondContact N-O 3.3Å; I896-F907 HydrophobicContact CD1-CB 3.92Å; I896-F907 HydrophobicContact CD1-CD2 4.48Å; I896-F907 HydrophobicContact CD1-CG 4.43Å; I896-F907 HydrophobicContact CG1-CB 4.3Å |
| 897 | Y | 67.1 | Low | 73.8 | Confident | 78 Ų | 78 | 73.5 Ų | 73.5 | 31% | 0.306 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 146.1 | 178.3 | -68.6 | -82.2 | 0 | 0 | 0 | 110.6 | A895 K901 S902 F903 H949 | A895-Y897 HydrophobicContact CB-CD2 4.42Å; A895-Y897 HydrophobicContact CB-CE2 3.69Å; Y897-K901 VanDerWaalsContact CD1-O 3.27Å; Y897-K901 WeakPolarHBondContact CD1-O 3.42Å; Y897-S902 CarbonylContact C-O 3.55Å; Y897-S902 VanDerWaalsContact CA-O 3.31Å; Y897-S902 WeakPolarHBondContact CA-O 3.32Å; Y897-F903 HydrophobicContact CE1-CB 4.32Å; Y897-H949 HydrophobicContact CE2-CB 4.48Å; Y897-H949 AromaticContact CE2-ND1 3.99Å; Y897-H949 AromaticContact CZ-ND1 3.84Å; Y897-H949 PolarHBondContact OH-CE1 3.43Å; Y897-H949 VanDerWaalsContact OH-CG 3.25Å; Y897-H949 PolarHBondContact OH-ND1 3.01Å |
| 898 | N | 58.4 | Low | 74.3 | Confident | 74 Ų | 74 | 73.4 Ų | 73.4 | 40% | 0.396 | 35% | 0.353 | S | S | . | . | trans | -76.8 | 169.5 | 168.6 | -155.1 | -16.8 | 0 | 0 | 0 | 110.3 | N900 K901 S902 I904 | N898-N900 PolarHBondContact O-N 3.41Å; N898-N900 VanDerWaalsContact O-N 3.11Å; N898-K901 WeakPolarHBondContact O-CA 3.35Å; N898-K901 PolarHBondContact O-N 3.48Å; N898-S902 WeakPolarHBondContact CB-OG 3.27Å; N898-S902 PolarHBondContact N-O 3.05Å; N898-I904 HydrophobicContact CB-CD1 3.73Å; N898-I904 HydrophobicContact CB-CG1 3.94Å | ||
| 899 | H | 61 | Low | 74.3 | Confident | 181 Ų | 181 | 75.3 Ų | 75.3 | 84% | 0.838 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -36.5 | 173.6 | -66.8 | -85.2 | 0 | 0 | 0 | 112.3 | K901 | H899-K901 PolarHBondContact O-N 3.17Å; H899-K901 VanDerWaalsContact O-N 3.12Å |
| 900 | N | 51.7 | Low | 74.4 | Confident | 141 Ų | 141 | 76.5 Ų | 76.5 | 75% | 0.754 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 12.9 | 177.4 | -59 | 18.2 | 0 | 0 | 0 | 113.8 | N898 S902 | N898-N900 PolarHBondContact O-N 3.41Å; N898-N900 VanDerWaalsContact O-N 3.11Å; N900-S902 PolarHBondContact O-N 3.4Å |
| 901 | K | 55.5 | Low | 74.2 | Confident | 171 Ų | 171 | 79 Ų | 79 | 74% | 0.743 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 55.1 | 18.2 | -172.7 | -62.2 | 173.7 | -178.8 | 167.5 | 0 | 114.6 | Y897 N898 H899 | Y897-K901 VanDerWaalsContact CD1-O 3.27Å; Y897-K901 WeakPolarHBondContact CD1-O 3.42Å; N898-K901 WeakPolarHBondContact O-CA 3.35Å; N898-K901 PolarHBondContact O-N 3.48Å; H899-K901 PolarHBondContact O-N 3.17Å; H899-K901 VanDerWaalsContact O-N 3.12Å |
| 902 | S | 52.6 | Low | 73.9 | Confident | 58 Ų | 58 | 77.3 Ų | 77.3 | 41% | 0.406 | 38% | 0.376 | S | S | . | . | trans | -78.5 | 141.8 | 172.3 | 53.9 | 0 | 0 | 0 | 0 | 111 | Y897 N898 N900 I904 | Y897-S902 CarbonylContact C-O 3.55Å; Y897-S902 VanDerWaalsContact CA-O 3.31Å; Y897-S902 WeakPolarHBondContact CA-O 3.32Å; N898-S902 WeakPolarHBondContact CB-OG 3.27Å; N898-S902 PolarHBondContact N-O 3.05Å; N900-S902 PolarHBondContact O-N 3.4Å; S902-I904 PolarHBondContact O-N 3.09Å | ||
| 903 | F | 54.7 | Low | 73.1 | Confident | 69 Ų | 69 | 80.5 Ų | 80.5 | 30% | 0.303 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 120.1 | -175.6 | 173.8 | -87.3 | 0 | 0 | 0 | 111 | A895 Y897 W906 | A895-F903 HydrophobicContact CB-CD2 4.13Å; A895-F903 HydrophobicContact CB-CE2 3.92Å; Y897-F903 HydrophobicContact CE1-CB 4.32Å; F903-W906 HydrophobicContact CE2-CD2 4.09Å; F903-W906 AromaticContact CE2-CE2 3.78Å; F903-W906 HydrophobicContact CE2-CG 4.35Å; F903-W906 HydrophobicContact CE2-CZ2 4.1Å; F903-W906 AromaticContact CE2-NE1 3.93Å; F903-W906 AromaticContact CZ-CD1 3.6Å; F903-W906 HydrophobicContact CZ-CD2 4.13Å; F903-W906 AromaticContact CZ-CE2 3.87Å; F903-W906 AromaticContact CZ-CG 3.93Å; F903-W906 HydrophobicContact CZ-CG 3.93Å; F903-W906 AromaticContact CZ-NE1 3.55Å |
| 904 | I | 60.1 | Low | 72.1 | Confident | 97 Ų | 97 | 81.9 Ų | 81.9 | 50% | 0.497 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -59 | 179.8 | -59.9 | 173 | 0 | 0 | 0 | 111 | I896 N898 S902 | I896-I904 HydrophobicContact CG2-CD1 4.23Å; I896-I904 PolarHBondContact O-N 3.07Å; N898-I904 HydrophobicContact CB-CD1 3.73Å; N898-I904 HydrophobicContact CB-CG1 3.94Å; S902-I904 PolarHBondContact O-N 3.09Å |
| 905 | K | 73 | Confident | 70.6 | Confident | 140 Ų | 140 | 83.9 Ų | 83.9 | 61% | 0.609 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -160 | 154 | -169.8 | -154.6 | 170.4 | -178.2 | 176.3 | 0 | 111.6 | I896 | I896-K905 PolarHBondContact N-O 3.3Å |
| 906 | W | 81.5 | Confident | 68.9 | Low | 50 Ų | 50 | 90.6 Ų | 90.6 | 19% | 0.189 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 127.8 | 159.3 | -73.5 | 118 | 0 | 0 | 0 | 109.3 | M893 A895 F903 H949 Q951 Q964 | M893-W906 HydrophobicContact CB-CB 4.2Å; M893-W906 HydrophobicContact CB-CD2 4.43Å; M893-W906 HydrophobicContact CB-CE3 3.9Å; M893-W906 HydrophobicContact CE-CB 3.76Å; M893-W906 HydrophobicContact SD-CB 4.01Å; M893-W906 HydrophobicContact SD-CG 4.41Å; A895-W906 HydrophobicContact CB-CE3 4Å; A895-W906 HydrophobicContact CB-CH2 3.98Å; A895-W906 HydrophobicContact CB-CZ3 3.64Å; F903-W906 HydrophobicContact CE2-CD2 4.09Å; F903-W906 AromaticContact CE2-CE2 3.78Å; F903-W906 HydrophobicContact CE2-CG 4.35Å; F903-W906 HydrophobicContact CE2-CZ2 4.1Å; F903-W906 AromaticContact CE2-NE1 3.93Å; F903-W906 AromaticContact CZ-CD1 3.6Å; F903-W906 HydrophobicContact CZ-CD2 4.13Å; F903-W906 AromaticContact CZ-CE2 3.87Å; F903-W906 AromaticContact CZ-CG 3.93Å; F903-W906 HydrophobicContact CZ-CG 3.93Å; F903-W906 AromaticContact CZ-NE1 3.55Å; W906-H949 HydrophobicContact CH2-CB 4.45Å; W906-Q951 HydrophobicContact CD2-CB 4.28Å; W906-Q951 HydrophobicContact CE3-CB 3.96Å; W906-Q951 HydrophobicContact CH2-CB 3.73Å; W906-Q951 HydrophobicContact CZ2-CB 4.03Å; W906-Q951 HydrophobicContact CZ3-CB 3.67Å; W906-Q964 HydrophobicContact CH2-CG 4.19Å; W906-Q964 HydrophobicContact CZ2-CG 4.04Å |
| 907 | F | 81.7 | Confident | 67.3 | Low | 128 Ų | 128 | 94.8 Ų | 94.8 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130.1 | 174.7 | -171.2 | -87.7 | 0 | 0 | 0 | 109.8 | M893 K894 I896 V909 | M893-F907 CarbonylContact C-O 3.51Å; M893-F907 WeakPolarHBondContact CA-O 3.3Å; M893-F907 WeakPolarHBondContact CB-O 3.44Å; K894-F907 PolarHBondContact N-O 3.38Å; K894-F907 PolarHBondContact O-N 3.48Å; I896-F907 HydrophobicContact CD1-CB 3.92Å; I896-F907 HydrophobicContact CD1-CD2 4.48Å; I896-F907 HydrophobicContact CD1-CG 4.43Å; I896-F907 HydrophobicContact CG1-CB 4.3Å; F907-V909 HydrophobicContact CD1-CG1 4.23Å; F907-V909 PolarHBondContact O-N 3.16Å |
| 908 | N | 87.2 | Confident | 66 | Low | 63 Ų | 63 | 99 Ų | 99 | 34% | 0.337 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 119.4 | 177.1 | -176.8 | 8.4 | 0 | 0 | 0 | 109.6 | W892 H910 T911 | W892-N908 PolarHBondContact O-OD1 2.94Å; W892-N908 VanDerWaalsContact O-OD1 3.12Å; N908-H910 PolarHBondContact OD1-N 2.97Å; N908-H910 PolarHBondContact OD1-O 3.43Å; N908-H910 VanDerWaalsContact OD1-O 3.04Å; N908-T911 PolarHBondContact ND2-OG1 3.21Å; N908-T911 PolarHBondContact OD1-OG1 2.92Å |
| 909 | V | 84.7 | Confident | 65.1 | Low | 39 Ų | 39 | 99.2 Ų | 99.2 | 24% | 0.236 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -20.9 | -179.3 | -66.3 | 0 | 0 | 0 | 0 | 113.4 | W892 K894 F907 Y936 Y950 | W892-V909 HydrophobicContact CB-CG2 3.93Å; W892-V909 WeakPolarHBondContact O-CG2 3.19Å; W892-V909 PolarHBondContact O-N 3.24Å; K894-V909 HydrophobicContact CB-CG1 3.57Å; K894-V909 HydrophobicContact CD-CG1 4.45Å; F907-V909 HydrophobicContact CD1-CG1 4.23Å; F907-V909 PolarHBondContact O-N 3.16Å; V909-Y936 HydrophobicContact CB-CE2 4.12Å; V909-Y936 HydrophobicContact CG2-CD1 4.34Å; V909-Y936 HydrophobicContact CG2-CE1 3.95Å; V909-Y936 HydrophobicContact CG2-CE2 4.13Å; V909-Y950 HydrophobicContact CG2-CD1 4.48Å; V909-Y950 HydrophobicContact CG2-CE1 4.38Å |
| 910 | H | 88.7 | Confident | 64.4 | Low | 72 Ų | 72 | 94.7 Ų | 94.7 | 33% | 0.333 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 147.2 | 175 | -175.6 | 68.8 | 0 | 0 | 0 | 110.8 | Q891 W892 N908 C912 I935 Y936 | Q891-H910 WeakPolarHBondContact CA-O 3.3Å; W892-H910 HydrophobicContact CB-CB 4.21Å; W892-H910 PolarHBondContact N-O 3.35Å; W892-H910 PolarHBondContact O-N 2.82Å; N908-H910 PolarHBondContact OD1-N 2.97Å; N908-H910 PolarHBondContact OD1-O 3.43Å; N908-H910 VanDerWaalsContact OD1-O 3.04Å; H910-C912 PolarHBondContact NE2-SG 3.17Å; H910-I935 PolarHBondContact NE2-O 3.06Å; H910-Y936 HydrophobicContact CB-CD2 3.48Å; H910-Y936 VanDerWaalsContact CB-CD2 3.48Å; H910-Y936 HydrophobicContact CB-CE2 4.14Å; H910-Y936 HydrophobicContact CB-CG 4.14Å |
| 911 | T | 87.3 | Confident | 64 | Low | 51 Ų | 51 | 88.6 Ų | 88.6 | 31% | 0.313 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 123.1 | -179.8 | -67.9 | 0 | 0 | 0 | 0 | 110 | I890 Q891 N908 | I890-T911 CarbonylContact O-C 3.56Å; I890-T911 WeakPolarHBondContact O-CA 3.39Å; Q891-T911 HydrophobicContact CG-CG2 4Å; N908-T911 PolarHBondContact ND2-OG1 3.21Å; N908-T911 PolarHBondContact OD1-OG1 2.92Å |
| 912 | C | 85.7 | Confident | 63.4 | Low | 21 Ų | 21 | 86.8 Ų | 86.8 | 14% | 0.142 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 89.4 | 170 | -52.7 | 0 | 0 | 0 | 0 | 108.2 | I890 H910 C934 | I890-C912 PolarHBondContact N-O 3.38Å; I890-C912 VanDerWaalsContact N-O 3.09Å; I890-C912 PolarHBondContact O-N 3.07Å; H910-C912 PolarHBondContact NE2-SG 3.17Å; C912-C934 HydrophobicContact CB-CB 3.61Å; C912-C934 WeakPolarHBondContact CB-SG 3.43Å; C912-C934 WeakPolarHBondContact SG-CA 3.07Å; C912-C934 WeakPolarHBondContact SG-CB 3.38Å; C912-C934 CovalentContact SG-SG 2.03Å; C912-C934 PolarHBondContact SG-SG 3.4Å |
| 913 | S | 73.7 | Confident | 62.7 | Low | 67 Ų | 67 | 86.8 Ų | 86.8 | 47% | 0.469 | 45% | 0.449 | S | S | . | . | trans | -61.1 | 167.4 | 168.2 | 45.3 | 0 | 0 | 0 | 0 | 111.5 | Q932 | S913-Q932 PolarHBondContact O-NE2 3.18Š| ||
| 914 | I | 66.4 | Low | 62 | Low | 58 Ų | 58 | 87.7 Ų | 87.7 | 30% | 0.297 | 46% | 0.463 | S | S | . | . | trans | -90.1 | 147.2 | 160.1 | -63.4 | 158.3 | 0 | 0 | 0 | 105.5 | K887 D916 | K887-I914 HydrophobicContact CB-CD1 4.06Å; K887-I914 WeakPolarHBondContact O-CD1 3.47Å; I914-D916 VanDerWaalsContact C-N 3.28Å; I914-D916 PolarHBondContact O-N 3.39Å | ||
| 915 | D | 55.6 | Low | 61 | Low | 123 Ų | 123 | 87.3 Ų | 87.3 | 66% | 0.658 | 46% | 0.462 | S | S | * | . | trans | -73.3 | 84.2 | 176.8 | -73.4 | -30.4 | 0 | 0 | 0 | 110.1 | N917 K918 | D915-N917 PolarHBondContact O-N 2.74Å; D915-K918 PolarHBondContact O-N 2.9Å; D915-K918 VanDerWaalsContact O-N 3.17Å | ||
| 916 | D | 46.4 | Very low | 59.5 | Low | 147 Ų | 147 | 88.9 Ų | 88.9 | 79% | 0.786 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -6.1 | 179.5 | -66 | -37.7 | 0 | 0 | 0 | 113.6 | I914 | I914-D916 VanDerWaalsContact C-N 3.28Å; I914-D916 PolarHBondContact O-N 3.39Å |
| 917 | N | 39.5 | Very low | 57.6 | Low | 162 Ų | 162 | 93.9 Ų | 93.9 | 87% | 0.866 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 8.5 | 178.5 | -68.9 | -21.8 | 0 | 0 | 0 | 114.7 | D915 | D915-N917 PolarHBondContact O-N 2.74Š|
| 918 | K | 40.9 | Very low | 56 | Low | 168 Ų | 168 | 94.8 Ų | 94.8 | 73% | 0.73 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -131 | 102.4 | 172 | -75.8 | -177.8 | 179.4 | 171.5 | 0 | 111.8 | D915 P920 | D915-K918 PolarHBondContact O-N 2.9Å; D915-K918 VanDerWaalsContact O-N 3.17Å; K918-P920 VanDerWaalsContact O-CD 3.29Å; K918-P920 WeakPolarHBondContact O-CD 3.33Å |
| 919 | V | 39.1 | Very low | 54.2 | Low | 78 Ų | 78 | 98.4 Ų | 98.4 | 47% | 0.473 | 53% | 0.525 | S | S | . | . | trans | -61.1 | 116.2 | 175.2 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | Y735 F921 | Y735-V919 HydrophobicContact CE1-CG1 3.71Å; Y735-V919 HydrophobicContact CE1-CG2 4.29Å; V919-F921 VanDerWaalsContact C-N 3.35Å; V919-F921 HydrophobicContact CB-CD2 4.42Å; V919-F921 HydrophobicContact CG1-CD2 3.65Å; V919-F921 HydrophobicContact CG1-CE2 3.68Å; V919-F921 PolarHBondContact O-N 3.45Å | ||
| 920 | P | 45.5 | Very low | 53.2 | Low | 86 Ų | 86 | 102.5 Ų | 102.5 | 56% | 0.558 | 54% | 0.541 | S | S | * | . | trans | -86.1 | 73.1 | -173.3 | 35.2 | -35 | 0 | 0 | 0 | 111.6 | K918 N922 I923 | K918-P920 VanDerWaalsContact O-CD 3.29Å; K918-P920 WeakPolarHBondContact O-CD 3.33Å; P920-N922 PolarHBondContact O-N 2.97Å; P920-I923 HydrophobicContact CB-CD1 4.42Å; P920-I923 HydrophobicContact CB-CG1 4.15Å; P920-I923 HydrophobicContact CG-CD1 4.29Å | ||
| 921 | F | 45.3 | Very low | 52.4 | Low | 12 Ų | 12 | 102.2 Ų | 102.2 | 5% | 0.053 | 54% | 0.541 | C | S | . | . | trans | -64.3 | -11.3 | 167.2 | -93.6 | -85 | 0 | 0 | 0 | 113.8 | Y735 Y741 I746 V919 | Y735-F921 AromaticContact CD1-CE2 3.48Å; Y735-F921 HydrophobicContact CD1-CE2 3.48Å; Y735-F921 VanDerWaalsContact CD1-CE2 3.48Å; Y735-F921 AromaticContact CD1-CZ 3.75Å; Y735-F921 HydrophobicContact CD1-CZ 3.75Å; Y735-F921 HydrophobicContact CD2-CZ 4.28Å; Y735-F921 AromaticContact CE1-CE2 3.9Å; Y735-F921 HydrophobicContact CE1-CE2 3.9Å; Y735-F921 HydrophobicContact CE1-CZ 4.42Å; Y735-F921 AromaticContact CG-CE2 3.9Å; Y735-F921 HydrophobicContact CG-CE2 3.9Å; Y735-F921 AromaticContact CG-CZ 3.64Å; Y735-F921 HydrophobicContact CG-CZ 3.64Å; Y741-F921 HydrophobicContact CD1-CB 3.7Å; Y741-F921 AromaticContact CD1-CD1 3.91Å; Y741-F921 HydrophobicContact CD1-CD1 3.91Å; Y741-F921 HydrophobicContact CD1-CD2 4.1Å; Y741-F921 AromaticContact CD1-CG 3.61Å; Y741-F921 HydrophobicContact CD1-CG 3.61Å; Y741-F921 HydrophobicContact CE1-CB 3.62Å; Y741-F921 HydrophobicContact CE1-CD1 4.37Å; Y741-F921 AromaticContact CE1-CD2 3.72Å; Y741-F921 HydrophobicContact CE1-CD2 3.72Å; Y741-F921 AromaticContact CE1-CG 3.63Å; Y741-F921 HydrophobicContact CE1-CG 3.63Å; Y741-F921 HydrophobicContact CG-CD1 4.31Å; Y741-F921 HydrophobicContact CG-CG 4.35Å; I746-F921 HydrophobicContact CD1-CD1 4.23Å; I746-F921 HydrophobicContact CD1-CE1 3.64Å; I746-F921 HydrophobicContact CG1-CD1 3.94Å; I746-F921 HydrophobicContact CG1-CE1 3.87Å; V919-F921 VanDerWaalsContact C-N 3.35Å; V919-F921 HydrophobicContact CB-CD2 4.42Å; V919-F921 HydrophobicContact CG1-CD2 3.65Å; V919-F921 HydrophobicContact CG1-CE2 3.68Å; V919-F921 PolarHBondContact O-N 3.45Å | ||
| 922 | N | 41.7 | Very low | 52.3 | Low | 134 Ų | 134 | 100.9 Ų | 100.9 | 72% | 0.717 | 53% | 0.531 | S | S | * | . | B | Isolated β-bridge | trans | -111.4 | 79.6 | 173.2 | -69.4 | -11.2 | 0 | 0 | 0 | 109.8 | P920 | P920-N922 PolarHBondContact O-N 2.97Å |
| 923 | I | 38.1 | Very low | 52.3 | Low | 57 Ų | 57 | 102.5 Ų | 102.5 | 29% | 0.292 | 54% | 0.541 | S | S | . | . | trans | -99 | 77.9 | 158.8 | -62 | 172.9 | 0 | 0 | 0 | 106.3 | S747 P920 I925 | S747-I923 WeakPolarHBondContact OG-CG2 3.39Å; P920-I923 HydrophobicContact CB-CD1 4.42Å; P920-I923 HydrophobicContact CB-CG1 4.15Å; P920-I923 HydrophobicContact CG-CD1 4.29Å; I923-I925 PolarHBondContact O-N 2.87Å | ||
| 924 | S | 40.3 | Very low | 53 | Low | 88 Ų | 88 | 99.4 Ų | 99.4 | 62% | 0.615 | 52% | 0.519 | S | S | * | . | trans | -62.3 | 115.6 | 175.3 | 54.8 | 0 | 0 | 0 | 0 | 109.5 | K926 | S924-K926 VanDerWaalsContact C-N 3.3Å; S924-K926 PolarHBondContact O-N 3.24Å | ||
| 925 | I | 38.2 | Very low | 54 | Low | 89 Ų | 89 | 99.7 Ų | 99.7 | 46% | 0.456 | 52% | 0.52 | S | S | . | . | trans | -78.2 | 86.6 | 179.9 | -61.2 | 172.1 | 0 | 0 | 0 | 108.5 | H833 I923 | H833-I925 HydrophobicContact CB-CD1 3.52Å; I923-I925 PolarHBondContact O-N 2.87Å | ||
| 926 | K | 41.9 | Very low | 55.4 | Low | 174 Ų | 174 | 96.3 Ų | 96.3 | 76% | 0.757 | 50% | 0.499 | S | S | * | . | trans | -137.6 | 87.3 | 166.8 | -74 | -164.5 | 172.7 | -173 | 0 | 110 | S924 D928 | S924-K926 VanDerWaalsContact C-N 3.3Å; S924-K926 PolarHBondContact O-N 3.24Å; K926-D928 VanDerWaalsContact C-N 3.34Å; K926-D928 PolarHBondContact O-N 3.18Å | ||
| 927 | D | 42.4 | Very low | 57 | Low | 154 Ų | 154 | 93.5 Ų | 93.5 | 82% | 0.824 | 48% | 0.481 | S | S | * | . | S | Bend | trans | 54.7 | 29.8 | 131.1 | -48.6 | -37.9 | 0 | 0 | 0 | 119.7 | ||
| 928 | D | 47 | Very low | 58.5 | Low | 148 Ų | 148 | 86.7 Ų | 86.7 | 79% | 0.791 | 45% | 0.445 | S | S | * | . | trans | -137.9 | 132.4 | 159.4 | -122.5 | -35.8 | 0 | 0 | 0 | 112.7 | K926 Q930 | K926-D928 VanDerWaalsContact C-N 3.34Å; K926-D928 PolarHBondContact O-N 3.18Å; D928-Q930 PolarHBondContact O-N 3.5Å | ||
| 929 | Q | 49.7 | Very low | 59.3 | Low | 139 Ų | 139 | 83.9 Ų | 83.9 | 65% | 0.65 | 44% | 0.442 | S | S | * | . | trans | -72.5 | 101 | -175.6 | -64.5 | -177.5 | 5.5 | 0 | 0 | 109.3 | I883 I931 | I883-Q929 HydrophobicContact CG2-CB 4.33Å; Q929-I931 VanDerWaalsContact O-CG1 3.29Å; Q929-I931 WeakPolarHBondContact O-CG1 3.42Å; Q929-I931 PolarHBondContact O-N 3.14Å | ||
| 930 | Q | 64.8 | Low | 60 | Low | 124 Ų | 124 | 85.5 Ų | 85.5 | 58% | 0.579 | 45% | 0.452 | S | S | * | . | trans | -56.3 | 92.2 | -169 | -70.1 | -163.2 | 5.5 | 0 | 0 | 114.8 | D928 Q932 | D928-Q930 PolarHBondContact O-N 3.5Å; Q930-Q932 PolarHBondContact O-N 2.79Å | ||
| 931 | I | 71.8 | Confident | 60.3 | Low | 67 Ų | 67 | 85 Ų | 85 | 34% | 0.344 | 44% | 0.444 | S | S | . | . | trans | -69.9 | 115.4 | 174 | -51.4 | -177.9 | 0 | 0 | 0 | 108.5 | L843 Q881 I883 Q929 T933 | L843-I931 HydrophobicContact CD1-CD1 3.75Å; L843-I931 HydrophobicContact CD1-CG1 3.94Å; L843-I931 HydrophobicContact CD1-CG2 4.41Å; Q881-I931 HydrophobicContact CB-CG2 3.57Å; Q881-I931 HydrophobicContact CG-CG2 3.93Å; I883-I931 HydrophobicContact CG2-CB 4.42Å; I883-I931 HydrophobicContact CG2-CG1 3.84Å; Q929-I931 VanDerWaalsContact O-CG1 3.29Å; Q929-I931 WeakPolarHBondContact O-CG1 3.42Å; Q929-I931 PolarHBondContact O-N 3.14Å; I931-T933 PolarHBondContact O-N 2.91Å | ||
| 932 | Q | 83.4 | Confident | 60.2 | Low | 22 Ų | 22 | 94.1 Ų | 94.1 | 10% | 0.103 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 124.2 | 158.7 | -175.2 | 73.9 | -20.1 | 0 | 0 | 107.7 | Q881 A882 K887 P888 I890 S913 Q930 | Q881-Q932 CarbonylContact C-O 3.47Å; Q881-Q932 VanDerWaalsContact CA-O 3.3Å; Q881-Q932 WeakPolarHBondContact CA-O 3.23Å; A882-Q932 PolarHBondContact N-O 3.07Å; A882-Q932 PolarHBondContact O-N 3.35Å; K887-Q932 HydrophobicContact CD-CB 4.36Å; K887-Q932 HydrophobicContact CG-CB 4.12Å; P888-Q932 HydrophobicContact CG-CB 4.34Å; P888-Q932 WeakPolarHBondContact O-CG 3.49Å; I890-Q932 HydrophobicContact CD1-CB 3.83Å; I890-Q932 HydrophobicContact CD1-CG 3.65Å; I890-Q932 VanDerWaalsContact CD1-O 3.32Å; I890-Q932 WeakPolarHBondContact CD1-O 3.42Å; I890-Q932 HydrophobicContact CG1-CB 4.37Å; I890-Q932 HydrophobicContact CG1-CG 3.92Å; S913-Q932 PolarHBondContact O-NE2 3.18Å; Q930-Q932 PolarHBondContact O-N 2.79Å |
| 933 | T | 86.7 | Confident | 60.3 | Low | 56 Ų | 56 | 95.6 Ų | 95.6 | 34% | 0.344 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.8 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 108.9 | I879 C880 Q881 I931 I935 | I879-T933 HydrophobicContact CG2-CG2 4.06Å; C880-T933 CarbonylContact O-C 3.58Å; C880-T933 WeakPolarHBondContact O-CA 3.44Å; Q881-T933 HydrophobicContact CG-CG2 3.86Å; Q881-T933 PolarHBondContact NE2-OG1 3.24Å; I931-T933 PolarHBondContact O-N 2.91Å; T933-I935 HydrophobicContact CG2-CD1 4.43Å; T933-I935 HydrophobicContact CG2-CG1 4.08Å |
| 934 | C | 88.7 | Confident | 60.4 | Low | 1 Ų | 1 | 98.7 Ų | 98.7 | 1% | 0.007 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 115 | -178.6 | -170.6 | 0 | 0 | 0 | 0 | 110.1 | C880 I890 W892 C912 | C880-C934 PolarHBondContact N-O 2.83Å; C880-C934 PolarHBondContact O-N 3.23Å; I890-C934 HydrophobicContact CB-CB 3.79Å; I890-C934 HydrophobicContact CD1-CB 4.14Å; I890-C934 HydrophobicContact CG2-CB 3.49Å; I890-C934 VanDerWaalsContact CG2-CB 3.49Å; W892-C934 PolarHBondContact NE1-O 3.06Å; W892-C934 VanDerWaalsContact NE1-O 3.14Å; C912-C934 HydrophobicContact CB-CB 3.61Å; C912-C934 WeakPolarHBondContact CB-SG 3.43Å; C912-C934 WeakPolarHBondContact SG-CA 3.07Å; C912-C934 WeakPolarHBondContact SG-CB 3.38Å; C912-C934 CovalentContact SG-SG 2.03Å; C912-C934 PolarHBondContact SG-SG 3.4Å |
| 935 | I | 87.1 | Confident | 60.4 | Low | 64 Ų | 64 | 101.6 Ų | 101.6 | 33% | 0.328 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.8 | -172.4 | -51.7 | -177.5 | 0 | 0 | 0 | 108.8 | E877 L878 I879 H910 T933 | E877-I935 HydrophobicContact CB-CG2 4.33Å; L878-I935 WeakPolarHBondContact O-CA 3.49Å; I879-I935 HydrophobicContact CG1-CG1 4.26Å; I879-I935 HydrophobicContact CG1-CG2 4.28Å; I879-I935 HydrophobicContact CG2-CG1 4.49Å; H910-I935 PolarHBondContact NE2-O 3.06Å; T933-I935 HydrophobicContact CG2-CD1 4.43Å; T933-I935 HydrophobicContact CG2-CG1 4.08Å |
| 936 | Y | 84.8 | Confident | 60.9 | Low | 52 Ų | 52 | 103.6 Ų | 103.6 | 20% | 0.204 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 117 | 174.8 | 172.5 | -108.1 | 0 | 0 | 0 | 109.9 | L878 V909 H910 L938 Y950 | L878-Y936 HydrophobicContact CD1-CD1 4.13Å; L878-Y936 HydrophobicContact CG-CD1 4.44Å; L878-Y936 PolarHBondContact N-O 2.71Å; L878-Y936 PolarHBondContact O-N 2.99Å; V909-Y936 HydrophobicContact CB-CE2 4.12Å; V909-Y936 HydrophobicContact CG2-CD1 4.34Å; V909-Y936 HydrophobicContact CG2-CE1 3.95Å; V909-Y936 HydrophobicContact CG2-CE2 4.13Å; H910-Y936 HydrophobicContact CB-CD2 3.48Å; H910-Y936 VanDerWaalsContact CB-CD2 3.48Å; H910-Y936 HydrophobicContact CB-CE2 4.14Å; H910-Y936 HydrophobicContact CB-CG 4.14Å; Y936-L938 HydrophobicContact CD1-CD1 3.78Å; Y936-L938 HydrophobicContact CE1-CD1 3.73Å; Y936-L938 HydrophobicContact CE1-CG 3.99Å; Y936-Y950 HydrophobicContact CE1-CE1 4.02Å |
| 937 | H | 79.9 | Confident | 61.7 | Low | 88 Ų | 88 | 100.3 Ų | 100.3 | 41% | 0.407 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 116.3 | 179.9 | -48.6 | -96.6 | 0 | 0 | 0 | 109.7 | I876 E877 T939 | I876-H937 WeakPolarHBondContact O-CA 3.3Å; E877-H937 IonicContact OE1-CE1 3.03Å; E877-H937 PolarHBondContact OE1-CE1 2.71Å; E877-H937 IonicContact OE1-ND1 2.95Å; E877-H937 PolarHBondContact OE1-ND1 3.45Å; H937-T939 PolarHBondContact O-N 3.1Å |
| 938 | L | 70.2 | Confident | 62.8 | Low | 20 Ų | 20 | 94.5 Ų | 94.5 | 11% | 0.105 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 119.5 | 168.7 | -72.7 | 75.7 | 0 | 0 | 0 | 108.5 | S875 I876 L878 Y936 Y950 L967 | S875-L938 WeakPolarHBondContact CA-O 3.5Å; S875-L938 WeakPolarHBondContact CB-O 3.4Å; I876-L938 HydrophobicContact CB-CB 4.26Å; I876-L938 HydrophobicContact CB-CD1 4.49Å; I876-L938 PolarHBondContact N-O 2.91Å; I876-L938 VanDerWaalsContact N-O 3.15Å; I876-L938 WeakPolarHBondContact O-CD1 3.48Å; I876-L938 PolarHBondContact O-N 3.31Å; L878-L938 HydrophobicContact CD1-CD1 3.86Å; L878-L938 HydrophobicContact CD2-CD1 4.37Å; L878-L938 HydrophobicContact CG-CD1 3.64Å; Y936-L938 HydrophobicContact CD1-CD1 3.78Å; Y936-L938 HydrophobicContact CE1-CD1 3.73Å; Y936-L938 HydrophobicContact CE1-CG 3.99Å; L938-Y950 HydrophobicContact CD2-CE2 4.18Å; L938-Y950 WeakPolarHBondContact CD2-OH 3.41Å; L938-L967 HydrophobicContact CD2-CD1 3.86Å |
| 939 | T | 57.9 | Low | 64.4 | Low | 109 Ų | 109 | 89.5 Ų | 89.5 | 67% | 0.669 | 46% | 0.458 | S | S | * | . | trans | -106.5 | -3 | -176.3 | 49.2 | 0 | 0 | 0 | 0 | 114.6 | H937 | H937-T939 PolarHBondContact O-N 3.1Š| ||
| 940 | T | 53.9 | Low | 66.2 | Low | 112 Ų | 112 | 83.3 Ų | 83.3 | 69% | 0.687 | 43% | 0.428 | S | S | * | . | trans | -126.4 | 87.6 | -173.1 | 55.7 | 0 | 0 | 0 | 0 | 112.4 | K942 | T940-K942 VanDerWaalsContact C-N 3.27Å; T940-K942 PolarHBondContact O-N 3.45Å | ||
| 941 | L | 52 | Low | 67.4 | Low | 74 Ų | 74 | 78 Ų | 78 | 39% | 0.387 | 40% | 0.404 | S | S | . | . | trans | -89.9 | 32 | -177.3 | -140.8 | 168.9 | 0 | 0 | 0 | 112.7 | N874 I876 Y969 | N874-L941 HydrophobicContact CB-CD1 4.15Å; I876-L941 HydrophobicContact CD1-CD1 4.13Å; I876-L941 HydrophobicContact CD1-CG 4.41Å; L941-Y969 HydrophobicContact CD1-CE1 4.36Å; L941-Y969 HydrophobicContact CD2-CD1 4.45Å; L941-Y969 HydrophobicContact CD2-CE1 3.65Å; L941-Y969 HydrophobicContact CG-CE1 4.12Å | ||
| 942 | K | 43.3 | Very low | 68.3 | Low | 204 Ų | 204 | 74.8 Ų | 74.8 | 89% | 0.887 | 39% | 0.387 | S | S | * | . | trans | -126.7 | 7.6 | -166.5 | -112.7 | -170.2 | 177.4 | -166.4 | 0 | 117.1 | T940 | T940-K942 VanDerWaalsContact C-N 3.27Å; T940-K942 PolarHBondContact O-N 3.45Å | ||
| 943 | E | 43.7 | Very low | 68.8 | Low | 166 Ų | 166 | 75.1 Ų | 75.1 | 78% | 0.776 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -107 | 99.4 | 172.4 | -69.3 | -175.3 | 151.8 | 0 | 0 | 111.1 | ||
| 944 | T | 39.9 | Very low | 69 | Low | 121 Ų | 121 | 72.4 Ų | 72.4 | 74% | 0.742 | 37% | 0.373 | S | S | * | . | trans | 22.5 | 118.7 | 147.2 | 36.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 945 | L | 41.8 | Very low | 68.9 | Low | 150 Ų | 150 | 74.3 Ų | 74.3 | 79% | 0.785 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 69.8 | 88.6 | 142.6 | -64.9 | 161.4 | 0 | 0 | 0 | 119.1 | ||
| 946 | N | 49.1 | Very low | 68.6 | Low | 130 Ų | 130 | 72.4 Ų | 72.4 | 70% | 0.695 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 59.8 | 113 | 140.3 | -66.3 | -20 | 0 | 0 | 0 | 120.1 | ||
| 947 | Q | 56.9 | Low | 68.1 | Low | 106 Ų | 106 | 76.4 Ų | 76.4 | 50% | 0.495 | 40% | 0.398 | S | S | . | . | trans | 75.7 | 70.2 | 163.7 | -50.7 | -177.4 | 15.6 | 0 | 0 | 117.1 | H949 K966 | Q947-H949 PolarHBondContact O-ND1 3.2Å; Q947-K966 VanDerWaalsContact CD-CE 3.44Å | ||
| 948 | S | 66 | Low | 67.7 | Low | 32 Ų | 32 | 73.4 Ų | 73.4 | 22% | 0.224 | 39% | 0.389 | C | S | . | . | trans | -77.7 | 142.5 | 165.5 | 57.3 | 0 | 0 | 0 | 0 | 111.8 | L967 | S948-L967 PolarHBondContact O-N 2.98Š| ||
| 949 | H | 81.4 | Confident | 68.3 | Low | 42 Ų | 42 | 73.6 Ų | 73.6 | 19% | 0.194 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.6 | 178 | -66.2 | 69.1 | 0 | 0 | 0 | 110.2 | A895 Y897 W906 Q947 I965 | A895-H949 HydrophobicContact CB-CB 4.02Å; A895-H949 PolarHBondContact N-O 2.86Å; Y897-H949 HydrophobicContact CE2-CB 4.48Å; Y897-H949 AromaticContact CE2-ND1 3.99Å; Y897-H949 AromaticContact CZ-ND1 3.84Å; Y897-H949 PolarHBondContact OH-CE1 3.43Å; Y897-H949 VanDerWaalsContact OH-CG 3.25Å; Y897-H949 PolarHBondContact OH-ND1 3.01Å; W906-H949 HydrophobicContact CH2-CB 4.45Å; Q947-H949 PolarHBondContact O-ND1 3.2Å; H949-I965 CarbonylContact C-O 3.46Å; H949-I965 WeakPolarHBondContact CA-O 3.46Å |
| 950 | Y | 87 | Confident | 69.7 | Low | 9 Ų | 9 | 74.3 Ų | 74.3 | 4% | 0.035 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 158.6 | 179.1 | -70.3 | -90.3 | 0 | 0 | 0 | 110.7 | L878 M893 K894 V909 Y936 L938 Q964 I965 L967 | L878-Y950 HydrophobicContact CD1-CD1 3.7Å; L878-Y950 HydrophobicContact CD1-CD2 3.81Å; L878-Y950 HydrophobicContact CD1-CE1 4.21Å; L878-Y950 HydrophobicContact CD1-CE2 4.31Å; L878-Y950 HydrophobicContact CD1-CG 3.49Å; L878-Y950 VanDerWaalsContact CD1-CG 3.49Å; M893-Y950 CarbonylContact O-C 3.58Å; M893-Y950 WeakPolarHBondContact O-CA 3.31Å; K894-Y950 HydrophobicContact CB-CD1 4.01Å; K894-Y950 HydrophobicContact CB-CE1 3.71Å; K894-Y950 HydrophobicContact CD-CE1 4.12Å; K894-Y950 HydrophobicContact CG-CD1 4.38Å; K894-Y950 HydrophobicContact CG-CE1 3.8Å; V909-Y950 HydrophobicContact CG2-CD1 4.48Å; V909-Y950 HydrophobicContact CG2-CE1 4.38Å; Y936-Y950 HydrophobicContact CE1-CE1 4.02Å; L938-Y950 HydrophobicContact CD2-CE2 4.18Å; L938-Y950 WeakPolarHBondContact CD2-OH 3.41Å; Y950-Q964 CarbonylContact O-C 3.54Å; Y950-Q964 VanDerWaalsContact O-CA 3.26Å; Y950-Q964 WeakPolarHBondContact O-CA 3.24Å; Y950-I965 PolarHBondContact N-O 2.95Å; Y950-I965 PolarHBondContact O-N 2.91Å; Y950-L967 HydrophobicContact CD2-CD1 4.02Å; Y950-L967 HydrophobicContact CD2-CG 4.21Å; Y950-L967 HydrophobicContact CE2-CD1 3.73Å; Y950-L967 HydrophobicContact CE2-CG 4.35Å |
| 951 | Q | 89.6 | Confident | 71.4 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 126.7 | 176.8 | -179.3 | 174 | -84.9 | 0 | 0 | 109.9 | W892 M893 W906 F962 K963 Q964 | W892-Q951 CarbonylContact C-O 3.59Å; W892-Q951 WeakPolarHBondContact CA-O 3.5Å; M893-Q951 HydrophobicContact CB-CB 4.32Å; M893-Q951 PolarHBondContact N-O 2.82Å; M893-Q951 PolarHBondContact O-N 2.78Å; W906-Q951 HydrophobicContact CD2-CB 4.28Å; W906-Q951 HydrophobicContact CE3-CB 3.96Å; W906-Q951 HydrophobicContact CH2-CB 3.73Å; W906-Q951 HydrophobicContact CZ2-CB 4.03Å; W906-Q951 HydrophobicContact CZ3-CB 3.67Å; Q951-F962 HydrophobicContact CG-CB 4.07Å; Q951-F962 HydrophobicContact CG-CD2 4.25Å; Q951-F962 VanDerWaalsContact OE1-CD2 3.29Å; Q951-K963 CarbonylContact C-O 3.49Å; Q951-K963 WeakPolarHBondContact CA-O 3.5Å; Q951-Q964 HydrophobicContact CB-CG 3.98Å; Q951-Q964 HydrophobicContact CG-CG 3.93Å |
| 952 | C | 92.1 | Very high | 73.3 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 132.9 | 159 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | C880 I890 Q891 W892 F962 K963 | C880-C952 HydrophobicContact CB-CB 3.65Å; C880-C952 WeakPolarHBondContact CB-SG 3.2Å; C880-C952 WeakPolarHBondContact SG-CB 3.49Å; C880-C952 CovalentContact SG-SG 2.02Å; C880-C952 PolarHBondContact SG-SG 2.98Å; I890-C952 WeakPolarHBondContact CG2-SG 3.36Å; Q891-C952 CarbonylContact O-C 3.58Å; Q891-C952 WeakPolarHBondContact O-CA 3.43Å; W892-C952 HydrophobicContact CD2-CB 4.46Å; W892-C952 HydrophobicContact CE3-CB 4.13Å; W892-C952 HydrophobicContact CH2-CB 3.98Å; W892-C952 HydrophobicContact CZ2-CB 4.35Å; W892-C952 HydrophobicContact CZ3-CB 3.87Å; C952-F962 CarbonylContact O-C 3.56Å; C952-F962 WeakPolarHBondContact O-CA 3.19Å; C952-F962 WeakPolarHBondContact O-CB 3.42Å; C952-K963 PolarHBondContact N-O 2.79Å; C952-K963 PolarHBondContact O-N 2.79Å |
| 953 | L | 92.4 | Very high | 75.4 | Confident | 28 Ų | 28 | 63.6 Ų | 63.6 | 15% | 0.147 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124.2 | 174.3 | 169.6 | 63.5 | 0 | 0 | 0 | 108 | I890 Q891 M893 T955 H960 F962 | I890-L953 CarbonylContact C-O 3.58Å; I890-L953 WeakPolarHBondContact CA-O 3.27Å; Q891-L953 HydrophobicContact CB-CB 4.42Å; Q891-L953 PolarHBondContact N-O 3.23Å; Q891-L953 PolarHBondContact O-N 2.93Å; M893-L953 HydrophobicContact SD-CD2 4.22Å; L953-T955 HydrophobicContact CD1-CG2 4.23Å; L953-T955 HydrophobicContact CG-CG2 4.14Å; L953-H960 HydrophobicContact CD1-CB 4.27Å; L953-F962 HydrophobicContact CB-CB 4.49Å; L953-F962 HydrophobicContact CD1-CB 4.14Å |
| 954 | A | 91.4 | Very high | 77.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 131.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110 | P840 I842 A882 P888 T889 I890 H960 T961 | P840-A954 HydrophobicContact CB-CB 3.83Å; I842-A954 HydrophobicContact CD1-CB 4.16Å; I842-A954 HydrophobicContact CG1-CB 3.94Å; A882-A954 HydrophobicContact CB-CB 3.8Å; P888-A954 HydrophobicContact CB-CB 4.19Å; T889-A954 CarbonylContact O-C 3.56Å; T889-A954 WeakPolarHBondContact O-CA 3.4Å; I890-A954 HydrophobicContact CG1-CB 4.35Å; A954-H960 CarbonylContact O-C 3.33Å; A954-H960 VanDerWaalsContact O-CA 3.25Å; A954-H960 WeakPolarHBondContact O-CA 3.29Å; A954-T961 PolarHBondContact N-O 2.94Å; A954-T961 PolarHBondContact O-N 2.58Å |
| 955 | T | 86.5 | Confident | 79.5 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 25% | 0.245 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 135.5 | -172.2 | 53.4 | 0 | 0 | 0 | 0 | 112 | P888 T889 L953 H960 | P888-T955 CarbonylContact C-O 3.56Å; P888-T955 WeakPolarHBondContact CA-O 3.29Å; P888-T955 WeakPolarHBondContact CB-O 3.32Å; T889-T955 VanDerWaalsContact CB-OG1 3.27Å; T889-T955 WeakPolarHBondContact CB-OG1 3.37Å; T889-T955 PolarHBondContact N-O 3.26Å; T889-T955 PolarHBondContact O-N 2.84Å; T889-T955 PolarHBondContact O-OG1 3.21Å; T889-T955 PolarHBondContact OG1-O 3.04Å; T889-T955 VanDerWaalsContact OG1-O 3.13Å; T889-T955 PolarHBondContact OG1-OG1 3.25Å; T889-T955 VanDerWaalsContact OG1-OG1 3.06Å; L953-T955 HydrophobicContact CD1-CG2 4.23Å; L953-T955 HydrophobicContact CG-CG2 4.14Å; T955-H960 HydrophobicContact CG2-CB 3.87Å |
| 956 | N | 80.6 | Confident | 81.2 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | -178.2 | 166.9 | 77.8 | -0.3 | 0 | 0 | 0 | 110.9 | N838 P840 P886 P888 A958 G959 | N838-N956 PolarHBondContact O-ND2 3.18Å; P840-N956 WeakPolarHBondContact CD-OD1 3.26Å; P840-N956 HydrophobicContact CG-CB 4.12Å; P886-N956 HydrophobicContact CG-CB 4.4Å; P886-N956 WeakPolarHBondContact O-CB 3.45Å; P886-N956 PolarHBondContact O-ND2 3.2Å; P888-N956 HydrophobicContact CB-CB 4.42Å; N956-A958 PolarHBondContact O-N 2.97Å; N956-A958 VanDerWaalsContact O-N 3.16Å; N956-A958 WeakPolarHBondContact OD1-CA 3.47Å; N956-A958 WeakPolarHBondContact OD1-CB 3.45Å; N956-A958 PolarHBondContact OD1-N 2.88Å; N956-G959 PolarHBondContact N-O 2.68Å; N956-G959 PolarHBondContact O-N 3.41Å; N956-G959 VanDerWaalsContact O-O 3.05Å; N956-G959 PolarHBondContact OD1-N 2.81Å; N956-G959 PolarHBondContact OD1-O 3.48Å |
| 957 | I | 74.7 | Confident | 82.3 | Confident | 135 Ų | 135 | 42.6 Ų | 42.6 | 69% | 0.692 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.9 | -178.4 | -50.4 | -179.7 | 0 | 0 | 0 | 112.4 | P886 | P886-I957 HydrophobicContact CG-CB 4.29Å; P886-I957 HydrophobicContact CG-CD1 3.91Å; P886-I957 HydrophobicContact CG-CG1 3.88Å |
| 958 | A | 72.6 | Confident | 82.5 | Confident | 26 Ų | 26 | 39.7 Ų | 39.7 | 22% | 0.215 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -13.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q837 K839 N956 | Q837-A958 HydrophobicContact CB-CB 4.26Å; K839-A958 WeakPolarHBondContact CE-O 3.46Å; K839-A958 HydrophobicContact CG-CB 4.15Å; K839-A958 WeakPolarHBondContact CG-O 3.01Å; N956-A958 PolarHBondContact O-N 2.97Å; N956-A958 VanDerWaalsContact O-N 3.16Å; N956-A958 WeakPolarHBondContact OD1-CA 3.47Å; N956-A958 WeakPolarHBondContact OD1-CB 3.45Å; N956-A958 PolarHBondContact OD1-N 2.88Å |
| 959 | G | 81.3 | Confident | 82.2 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 24% | 0.237 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.2 | -160.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | P840 N956 | P840-G959 WeakPolarHBondContact CD-O 3.26Å; P840-G959 WeakPolarHBondContact CG-O 3.37Å; N956-G959 PolarHBondContact N-O 2.68Å; N956-G959 PolarHBondContact O-N 3.41Å; N956-G959 VanDerWaalsContact O-O 3.05Å; N956-G959 PolarHBondContact OD1-N 2.81Å; N956-G959 PolarHBondContact OD1-O 3.48Å |
| 960 | H | 88.9 | Confident | 80.6 | Confident | 125 Ų | 125 | 44 Ų | 44 | 58% | 0.579 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132 | 152.8 | -176.9 | 63.7 | -98.6 | 0 | 0 | 0 | 112.4 | L953 A954 T955 | L953-H960 HydrophobicContact CD1-CB 4.27Å; A954-H960 CarbonylContact O-C 3.33Å; A954-H960 VanDerWaalsContact O-CA 3.25Å; A954-H960 WeakPolarHBondContact O-CA 3.29Å; T955-H960 HydrophobicContact CG2-CB 3.87Å |
| 961 | T | 89 | Confident | 78.6 | Confident | 46 Ų | 46 | 49.6 Ų | 49.6 | 28% | 0.282 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 156.5 | 168.2 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | P840 A954 | P840-T961 WeakPolarHBondContact O-CB 3.47Å; P840-T961 WeakPolarHBondContact O-CG2 3.43Å; P840-T961 PolarHBondContact O-OG1 3.05Å; A954-T961 PolarHBondContact N-O 2.94Å; A954-T961 PolarHBondContact O-N 2.58Å |
| 962 | F | 91.1 | Very high | 76.3 | Confident | 80 Ų | 80 | 52 Ų | 52 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 156 | -178.8 | 68.6 | -91 | 0 | 0 | 0 | 113.2 | Q951 C952 L953 Q964 | Q951-F962 HydrophobicContact CG-CB 4.07Å; Q951-F962 HydrophobicContact CG-CD2 4.25Å; Q951-F962 VanDerWaalsContact OE1-CD2 3.29Å; C952-F962 CarbonylContact O-C 3.56Å; C952-F962 WeakPolarHBondContact O-CA 3.19Å; C952-F962 WeakPolarHBondContact O-CB 3.42Å; L953-F962 HydrophobicContact CB-CB 4.49Å; L953-F962 HydrophobicContact CD1-CB 4.14Å; F962-Q964 HydrophobicContact CD2-CG 4.46Å |
| 963 | K | 87.4 | Confident | 73.8 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 17% | 0.17 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 133 | -178.3 | -171.9 | 67.7 | 177.5 | -76.2 | 0 | 109.6 | I842 P845 I846 N848 Q951 C952 | I842-K963 HydrophobicContact CB-CB 4.41Å; I842-K963 HydrophobicContact CD1-CB 3.91Å; I842-K963 HydrophobicContact CG2-CB 3.93Å; I842-K963 HydrophobicContact CG2-CG 4.38Å; P845-K963 HydrophobicContact CG-CB 4.44Å; P845-K963 HydrophobicContact CG-CG 3.78Å; P845-K963 PolarHBondContact O-NZ 2.84Å; I846-K963 PolarHBondContact O-NZ 2.9Å; N848-K963 WeakPolarHBondContact OD1-CE 3.33Å; Q951-K963 CarbonylContact C-O 3.49Å; Q951-K963 WeakPolarHBondContact CA-O 3.5Å; C952-K963 PolarHBondContact N-O 2.79Å; C952-K963 PolarHBondContact O-N 2.79Å |
| 964 | Q | 87 | Confident | 71.1 | Confident | 68 Ų | 68 | 63.1 Ų | 63.1 | 32% | 0.318 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 141.3 | -174.8 | -69.4 | 169.4 | 6.2 | 0 | 0 | 111.4 | W906 Y950 Q951 F962 | W906-Q964 HydrophobicContact CH2-CG 4.19Å; W906-Q964 HydrophobicContact CZ2-CG 4.04Å; Y950-Q964 CarbonylContact O-C 3.54Å; Y950-Q964 VanDerWaalsContact O-CA 3.26Å; Y950-Q964 WeakPolarHBondContact O-CA 3.24Å; Q951-Q964 HydrophobicContact CB-CG 3.98Å; Q951-Q964 HydrophobicContact CG-CG 3.93Å; F962-Q964 HydrophobicContact CD2-CG 4.46Å |
| 965 | I | 83.6 | Confident | 68.3 | Low | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 139.3 | 171.7 | -53.1 | 178.3 | 0 | 0 | 0 | 109 | P845 N848 Q850 L878 W892 H949 Y950 L967 | P845-I965 HydrophobicContact CB-CD1 3.64Å; P845-I965 HydrophobicContact CB-CG1 3.77Å; P845-I965 HydrophobicContact CG-CD1 3.67Å; P845-I965 HydrophobicContact CG-CG1 3.52Å; N848-I965 CarbonylContact O-C 3.44Å; N848-I965 WeakPolarHBondContact O-CA 3.33Å; Q850-I965 HydrophobicContact CB-CG2 3.92Å; L878-I965 HydrophobicContact CD2-CD1 4.15Å; W892-I965 HydrophobicContact CH2-CD1 3.6Å; W892-I965 HydrophobicContact CH2-CG1 4.4Å; W892-I965 HydrophobicContact CZ3-CD1 4.05Å; H949-I965 CarbonylContact C-O 3.46Å; H949-I965 WeakPolarHBondContact CA-O 3.46Å; Y950-I965 PolarHBondContact N-O 2.95Å; Y950-I965 PolarHBondContact O-N 2.91Å; I965-L967 HydrophobicContact CG2-CD2 3.96Å |
| 966 | K | 77.6 | Confident | 65.6 | Low | 55 Ų | 55 | 74.2 Ų | 74.2 | 24% | 0.239 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.7 | 161.4 | -175.4 | 174.1 | -172.6 | 164.7 | 0 | 109.9 | N848 I849 Q850 Q947 I968 | N848-K966 PolarHBondContact O-N 2.88Å; I849-K966 WeakPolarHBondContact CA-O 3.46Å; I849-K966 HydrophobicContact CG1-CB 4.48Å; Q850-K966 PolarHBondContact N-O 3.37Å; Q947-K966 VanDerWaalsContact CD-CE 3.44Å; K966-I968 HydrophobicContact CG-CG1 4.27Å |
| 967 | L | 71.2 | Confident | 63.3 | Low | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 130.3 | 173.9 | -66.1 | -174.2 | 0 | 0 | 0 | 110.2 | Q850 I852 L878 L938 S948 Y950 I965 | Q850-L967 HydrophobicContact CB-CD2 3.85Å; I852-L967 HydrophobicContact CD1-CB 4.1Å; I852-L967 HydrophobicContact CD1-CD1 4.25Å; I852-L967 HydrophobicContact CD1-CD2 4.23Å; I852-L967 HydrophobicContact CD1-CG 4.42Å; L878-L967 HydrophobicContact CD2-CD1 4.35Å; L878-L967 HydrophobicContact CD2-CD2 4.01Å; L938-L967 HydrophobicContact CD2-CD1 3.86Å; S948-L967 PolarHBondContact O-N 2.98Å; Y950-L967 HydrophobicContact CD2-CD1 4.02Å; Y950-L967 HydrophobicContact CD2-CG 4.21Å; Y950-L967 HydrophobicContact CE2-CD1 3.73Å; Y950-L967 HydrophobicContact CE2-CG 4.35Å; I965-L967 HydrophobicContact CG2-CD2 3.96Å |
| 968 | I | 61.8 | Low | 61.2 | Low | 45 Ų | 45 | 77.1 Ų | 77.1 | 23% | 0.231 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 119.8 | 177.8 | -56.3 | -177.4 | 0 | 0 | 0 | 108.3 | I849 Q850 F851 I852 K966 | I849-I968 HydrophobicContact CG2-CD1 3.65Å; I849-I968 HydrophobicContact CG2-CG1 4.11Å; Q850-I968 PolarHBondContact O-N 2.9Å; Q850-I968 VanDerWaalsContact O-N 3.15Å; F851-I968 WeakPolarHBondContact CA-O 3.45Å; F851-I968 HydrophobicContact CD1-CB 4Å; F851-I968 HydrophobicContact CD1-CG2 4.07Å; F851-I968 HydrophobicContact CE1-CB 4.17Å; F851-I968 HydrophobicContact CE1-CD1 4.07Å; F851-I968 HydrophobicContact CE1-CG2 4.07Å; I852-I968 PolarHBondContact N-O 3.18Å; K966-I968 HydrophobicContact CG-CG1 4.27Å |
| 969 | Y | 58.7 | Low | 59.6 | Low | 90 Ų | 90 | 84.7 Ų | 84.7 | 35% | 0.353 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 139.5 | 171.4 | -66.6 | -82.7 | 0 | 0 | 0 | 109.9 | I852 I876 L941 | I852-Y969 HydrophobicContact CB-CD1 3.85Å; I852-Y969 HydrophobicContact CB-CE1 4.17Å; I852-Y969 HydrophobicContact CD1-CD1 3.9Å; I852-Y969 HydrophobicContact CD1-CE1 3.58Å; I852-Y969 HydrophobicContact CD1-CE2 4.33Å; I852-Y969 HydrophobicContact CD1-CG 4.4Å; I852-Y969 HydrophobicContact CG1-CE1 4.45Å; I852-Y969 HydrophobicContact CG2-CD1 3.76Å; I852-Y969 HydrophobicContact CG2-CE1 3.85Å; I876-Y969 HydrophobicContact CD1-CE1 3.95Å; I876-Y969 WeakPolarHBondContact CD1-OH 3.31Å; L941-Y969 HydrophobicContact CD1-CE1 4.36Å; L941-Y969 HydrophobicContact CD2-CD1 4.45Å; L941-Y969 HydrophobicContact CD2-CE1 3.65Å; L941-Y969 HydrophobicContact CG-CE1 4.12Å |
| 970 | L | 48.7 | Very low | 57.7 | Low | 75 Ų | 75 | 86.9 Ų | 86.9 | 39% | 0.393 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 110.3 | 171.7 | -82.8 | 165.4 | 0 | 0 | 0 | 108.6 | F851 I852 | F851-L970 HydrophobicContact CB-CD1 4.28Å; F851-L970 HydrophobicContact CD1-CD1 3.68Å; F851-L970 HydrophobicContact CD1-CG 4.31Å; F851-L970 HydrophobicContact CE1-CD1 4.39Å; F851-L970 HydrophobicContact CG-CD1 4.27Å; I852-L970 PolarHBondContact O-N 3.1Å |
| 971 | D | 44.7 | Very low | 55.5 | Low | 127 Ų | 127 | 85.9 Ų | 85.9 | 68% | 0.679 | 46% | 0.459 | S | S | * | . | trans | -78.3 | 135.3 | 171 | -161 | -27.1 | 0 | 0 | 0 | 109.3 | T973 | D971-T973 PolarHBondContact OD1-OG1 2.87Š| ||
| 972 | T | 41.8 | Very low | 53.2 | Low | 64 Ų | 64 | 91.5 Ų | 91.5 | 39% | 0.393 | 48% | 0.481 | S | S | . | . | trans | -121.1 | 64.3 | -168.6 | 55.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 973 | T | 38.8 | Very low | 50.8 | Low | 115 Ų | 115 | 93.6 Ų | 93.6 | 71% | 0.706 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -119.2 | -0.2 | 178 | 42.7 | 0 | 0 | 0 | 0 | 113.8 | D971 | D971-T973 PolarHBondContact OD1-OG1 2.87Š|
| 974 | L | 36.2 | Very low | 48.7 | Very low | 145 Ų | 145 | 97 Ų | 97 | 76% | 0.759 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -125.7 | 157.3 | 170 | -87.6 | 83.5 | 0 | 0 | 0 | 111.4 | ||
| 975 | M | 31.4 | Very low | 46.7 | Very low | 167 Ų | 167 | 98.8 Ų | 98.8 | 82% | 0.823 | 52% | 0.523 | S | S | * | . | trans | 67.7 | 77 | 172.7 | -59.4 | -67.7 | 102.1 | 0 | 0 | 116.2 | ||||
| 976 | S | 30.7 | Very low | 44.6 | Very low | 106 Ų | 106 | 105 Ų | 105 | 74% | 0.741 | 55% | 0.553 | S | S | * | * | trans | -59.7 | 170 | 139.1 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 977 | S | 32 | Very low | 42.9 | Very low | 106 Ų | 106 | 106.9 Ų | 106.9 | 74% | 0.741 | 56% | 0.564 | S | S | * | * | trans | 62.9 | 81.6 | -179.4 | 67 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 978 | N | 31.2 | Very low | 41.8 | Very low | 115 Ų | 115 | 113.7 Ų | 113.7 | 62% | 0.615 | 59% | 0.594 | S | S | * | * | trans | -164.7 | 91.6 | 150.2 | -114.8 | -71 | 0 | 0 | 0 | 112.5 | T980 | N978-T980 PolarHBondContact O-N 3.11Å; N978-T980 VanDerWaalsContact OD1-CG2 3.26Å; N978-T980 WeakPolarHBondContact OD1-CG2 3.26Å; N978-T980 PolarHBondContact OD1-OG1 2.84Å | ||
| 979 | E | 39 | Very low | 41.1 | Very low | 186 Ų | 186 | 119.5 Ų | 119.5 | 87% | 0.869 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -12.8 | 174 | -61.6 | -177.9 | 124.3 | 0 | 0 | 112.9 | I981 Q982 | E979-I981 PolarHBondContact O-N 3.08Å; E979-Q982 PolarHBondContact O-N 3.4Å |
| 980 | T | 41.2 | Very low | 40.7 | Very low | 69 Ų | 69 | 119.5 Ų | 119.5 | 42% | 0.423 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -56.3 | -23.7 | -177.9 | 61.3 | 0 | 0 | 0 | 0 | 114.3 | N978 Q984 | N978-T980 PolarHBondContact O-N 3.11Å; N978-T980 VanDerWaalsContact OD1-CG2 3.26Å; N978-T980 WeakPolarHBondContact OD1-CG2 3.26Å; N978-T980 PolarHBondContact OD1-OG1 2.84Å; T980-Q984 WeakPolarHBondContact O-CB 3.16Å; T980-Q984 WeakPolarHBondContact O-CG 3.42Å; T980-Q984 PolarHBondContact O-N 3.43Å |
| 981 | I | 42.5 | Very low | 40.9 | Very low | 104 Ų | 104 | 119.7 Ų | 119.7 | 53% | 0.533 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -78.9 | -37.6 | -171.8 | -60.4 | 178.2 | 0 | 0 | 0 | 112.5 | E979 Q984 I985 | E979-I981 PolarHBondContact O-N 3.08Å; I981-Q984 PolarHBondContact O-N 3.36Å; I981-I985 HydrophobicContact CG2-CD1 4.19Å; I981-I985 WeakPolarHBondContact O-CG1 3.34Å; I981-I985 PolarHBondContact O-N 3.19Å; I981-I985 VanDerWaalsContact O-N 3.12Å |
| 982 | Q | 40 | Very low | 41.2 | Very low | 163 Ų | 163 | 116.4 Ų | 116.4 | 76% | 0.762 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.3 | -39.1 | 171.5 | -85.1 | -164.4 | -8.3 | 0 | 0 | 110.9 | E979 Q984 I985 M986 | E979-Q982 PolarHBondContact O-N 3.4Å; Q982-Q984 VanDerWaalsContact C-N 3.31Å; Q982-Q984 PolarHBondContact O-N 2.85Å; Q982-I985 PolarHBondContact O-N 3.05Å; Q982-I985 VanDerWaalsContact O-N 3.12Å; Q982-M986 PolarHBondContact O-N 3.46Å |
| 983 | L | 40.8 | Very low | 41.6 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -58.8 | -43.3 | 171.9 | -130 | 79.7 | 0 | 0 | 0 | 111 | I985 M987 | L983-I985 VanDerWaalsContact C-N 3.3Å; L983-I985 PolarHBondContact O-N 3.04Å; L983-M987 WeakPolarHBondContact O-CA 3.43Å; L983-M987 WeakPolarHBondContact O-CB 3.28Å; L983-M987 WeakPolarHBondContact O-CG 3.18Å; L983-M987 PolarHBondContact O-N 3.04Å |
| 984 | Q | 44.1 | Very low | 42.3 | Very low | 111 Ų | 111 | 118.3 Ų | 118.3 | 52% | 0.519 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.5 | -22.7 | 176 | -80.9 | -168.5 | 13.7 | 0 | 0 | 114.9 | T980 I981 Q982 K988 | T980-Q984 WeakPolarHBondContact O-CB 3.16Å; T980-Q984 WeakPolarHBondContact O-CG 3.42Å; T980-Q984 PolarHBondContact O-N 3.43Å; I981-Q984 PolarHBondContact O-N 3.36Å; Q982-Q984 VanDerWaalsContact C-N 3.31Å; Q982-Q984 PolarHBondContact O-N 2.85Å; Q984-K988 VanDerWaalsContact O-CB 3.26Å; Q984-K988 WeakPolarHBondContact O-CB 3.27Å; Q984-K988 VanDerWaalsContact O-CG 3.23Å; Q984-K988 WeakPolarHBondContact O-CG 3.33Å; Q984-K988 PolarHBondContact O-N 2.68Å |
| 985 | I | 44.4 | Very low | 43.1 | Very low | 105 Ų | 105 | 114.3 Ų | 114.3 | 54% | 0.538 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -89.3 | -40.4 | 178.4 | -67.4 | 168.6 | 0 | 0 | 0 | 111.1 | I981 Q982 L983 K988 K989 | I981-I985 HydrophobicContact CG2-CD1 4.19Å; I981-I985 WeakPolarHBondContact O-CG1 3.34Å; I981-I985 PolarHBondContact O-N 3.19Å; I981-I985 VanDerWaalsContact O-N 3.12Å; Q982-I985 PolarHBondContact O-N 3.05Å; Q982-I985 VanDerWaalsContact O-N 3.12Å; L983-I985 VanDerWaalsContact C-N 3.3Å; L983-I985 PolarHBondContact O-N 3.04Å; I985-K988 PolarHBondContact O-N 3.26Å; I985-K989 PolarHBondContact O-N 3.49Å |
| 986 | M | 40.2 | Very low | 44.4 | Very low | 133 Ų | 133 | 114.1 Ų | 114.1 | 66% | 0.655 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -55.2 | -53.6 | 163.5 | -78.4 | -67.4 | -159.6 | 0 | 0 | 109.6 | Q982 K988 K989 I990 | Q982-M986 PolarHBondContact O-N 3.46Å; M986-K988 VanDerWaalsContact C-N 3.29Å; M986-K988 PolarHBondContact O-N 3.11Å; M986-K989 PolarHBondContact O-N 3.01Å; M986-K989 VanDerWaalsContact O-N 3.11Å; M986-I990 HydrophobicContact CB-CD1 4.47Å; M986-I990 WeakPolarHBondContact O-CB 3.47Å; M986-I990 WeakPolarHBondContact O-CG1 3.45Å; M986-I990 PolarHBondContact O-N 3.15Å |
| 987 | M | 42.3 | Very low | 45.8 | Very low | 95 Ų | 95 | 112.5 Ų | 112.5 | 47% | 0.468 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.9 | -29.6 | 175.2 | -70.4 | -80.8 | -94.1 | 0 | 0 | 112.4 | L983 I991 | L983-M987 WeakPolarHBondContact O-CA 3.43Å; L983-M987 WeakPolarHBondContact O-CB 3.28Å; L983-M987 WeakPolarHBondContact O-CG 3.18Å; L983-M987 PolarHBondContact O-N 3.04Å; M987-I991 HydrophobicContact CB-CD1 4.16Å; M987-I991 WeakPolarHBondContact O-CA 3.31Å; M987-I991 WeakPolarHBondContact O-CB 3.24Å; M987-I991 WeakPolarHBondContact O-CD1 3.25Å; M987-I991 WeakPolarHBondContact O-CG1 3.4Å; M987-I991 PolarHBondContact O-N 3.47Å |
| 988 | K | 47.2 | Very low | 47.3 | Very low | 143 Ų | 143 | 110.7 Ų | 110.7 | 62% | 0.622 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.5 | -31.4 | 173.4 | -87.2 | 169.1 | -179.4 | 164.8 | 0 | 113.5 | Q984 I985 M986 S992 | Q984-K988 VanDerWaalsContact O-CB 3.26Å; Q984-K988 WeakPolarHBondContact O-CB 3.27Å; Q984-K988 VanDerWaalsContact O-CG 3.23Å; Q984-K988 WeakPolarHBondContact O-CG 3.33Å; Q984-K988 PolarHBondContact O-N 2.68Å; I985-K988 PolarHBondContact O-N 3.26Å; M986-K988 VanDerWaalsContact C-N 3.29Å; M986-K988 PolarHBondContact O-N 3.11Å; K988-S992 VanDerWaalsContact O-CB 3.25Å; K988-S992 WeakPolarHBondContact O-CB 3.24Å; K988-S992 PolarHBondContact O-N 3.47Å |
| 989 | K | 47.2 | Very low | 48.7 | Very low | 166 Ų | 166 | 108.3 Ų | 108.3 | 72% | 0.722 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -75.4 | -40.9 | 170.1 | -79.7 | -172 | 174.7 | -177.9 | 0 | 112 | I985 M986 S992 W993 | I985-K989 PolarHBondContact O-N 3.49Å; M986-K989 PolarHBondContact O-N 3.01Å; M986-K989 VanDerWaalsContact O-N 3.11Å; K989-S992 CarbonylContact O-C 3.45Å; K989-S992 WeakPolarHBondContact O-CB 3.43Å; K989-S992 PolarHBondContact O-N 3.05Å; K989-W993 WeakPolarHBondContact O-CB 3.41Å; K989-W993 PolarHBondContact O-N 3.35Å |
| 990 | I | 50.2 | Low | 49.9 | Very low | 90 Ų | 90 | 102 Ų | 102 | 46% | 0.462 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.1 | -41.5 | 175.7 | -65.9 | 168.4 | 0 | 0 | 0 | 110.4 | M986 S992 W993 I994 | M986-I990 HydrophobicContact CB-CD1 4.47Å; M986-I990 WeakPolarHBondContact O-CB 3.47Å; M986-I990 WeakPolarHBondContact O-CG1 3.45Å; M986-I990 PolarHBondContact O-N 3.15Å; I990-S992 VanDerWaalsContact C-N 3.3Å; I990-S992 PolarHBondContact O-N 3.39Å; I990-W993 CarbonylContact O-C 3.53Å; I990-W993 PolarHBondContact O-N 3.39Å; I990-I994 HydrophobicContact CG2-CD1 3.88Å; I990-I994 HydrophobicContact CG2-CG1 4.47Å; I990-I994 WeakPolarHBondContact O-CB 2.95Å; I990-I994 WeakPolarHBondContact O-CD1 3.42Å; I990-I994 WeakPolarHBondContact O-CG1 3.37Å; I990-I994 PolarHBondContact O-N 3.26Å |
| 991 | I | 53.8 | Low | 51.5 | Low | 80 Ų | 80 | 102.5 Ų | 102.5 | 41% | 0.41 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.7 | -28.2 | 170.9 | -67 | 164.2 | 0 | 0 | 0 | 110.9 | M987 C995 | M987-I991 HydrophobicContact CB-CD1 4.16Å; M987-I991 WeakPolarHBondContact O-CA 3.31Å; M987-I991 WeakPolarHBondContact O-CB 3.24Å; M987-I991 WeakPolarHBondContact O-CD1 3.25Å; M987-I991 WeakPolarHBondContact O-CG1 3.4Å; M987-I991 PolarHBondContact O-N 3.47Å; I991-C995 WeakPolarHBondContact O-CA 3.3Å; I991-C995 WeakPolarHBondContact O-CB 3.44Å; I991-C995 PolarHBondContact O-N 3.25Å; I991-C995 PolarHBondContact O-SG 3.21Å |
| 992 | S | 49.5 | Very low | 52.7 | Low | 57 Ų | 57 | 100.7 Ų | 100.7 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.3 | -42.6 | 169.3 | -167.8 | 0 | 0 | 0 | 0 | 111.8 | K988 K989 I990 I994 C995 F996 | K988-S992 VanDerWaalsContact O-CB 3.25Å; K988-S992 WeakPolarHBondContact O-CB 3.24Å; K988-S992 PolarHBondContact O-N 3.47Å; K989-S992 CarbonylContact O-C 3.45Å; K989-S992 WeakPolarHBondContact O-CB 3.43Å; K989-S992 PolarHBondContact O-N 3.05Å; I990-S992 VanDerWaalsContact C-N 3.3Å; I990-S992 PolarHBondContact O-N 3.39Å; S992-I994 VanDerWaalsContact C-N 3.32Å; S992-C995 CarbonylContact O-C 3.53Å; S992-C995 PolarHBondContact O-N 2.88Å; S992-F996 WeakPolarHBondContact O-CB 3.47Å; S992-F996 WeakPolarHBondContact O-CD2 3.45Å; S992-F996 PolarHBondContact O-N 2.93Å |
| 993 | W | 51.6 | Low | 53.9 | Low | 171 Ų | 171 | 97.7 Ų | 97.7 | 65% | 0.648 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.3 | -31.7 | 177.1 | -145 | 61.3 | 0 | 0 | 0 | 111.9 | K989 I990 I997 I998 | K989-W993 WeakPolarHBondContact O-CB 3.41Å; K989-W993 PolarHBondContact O-N 3.35Å; I990-W993 CarbonylContact O-C 3.53Å; I990-W993 PolarHBondContact O-N 3.39Å; W993-I997 HydrophobicContact CD2-CD1 4.26Å; W993-I997 HydrophobicContact CG-CD1 4.49Å; W993-I997 HydrophobicContact CZ2-CD1 4.08Å; W993-I997 WeakPolarHBondContact O-CA 3.15Å; W993-I997 VanDerWaalsContact O-CB 3.3Å; W993-I997 WeakPolarHBondContact O-CB 3.39Å; W993-I997 PolarHBondContact O-N 2.96Å; W993-I998 PolarHBondContact O-N 3.33Å |
| 994 | I | 52.3 | Low | 55.6 | Low | 49 Ų | 49 | 96.3 Ų | 96.3 | 25% | 0.251 | 48% | 0.475 | S | S | . | . | I | π-helix | trans | -62.2 | -66.7 | 161.7 | -66.9 | 160.7 | 0 | 0 | 0 | 107.7 | I990 S992 F996 I997 I998 L999 | I990-I994 HydrophobicContact CG2-CD1 3.88Å; I990-I994 HydrophobicContact CG2-CG1 4.47Å; I990-I994 WeakPolarHBondContact O-CB 2.95Å; I990-I994 WeakPolarHBondContact O-CD1 3.42Å; I990-I994 WeakPolarHBondContact O-CG1 3.37Å; I990-I994 PolarHBondContact O-N 3.26Å; S992-I994 VanDerWaalsContact C-N 3.32Å; I994-F996 PolarHBondContact O-N 3.25Å; I994-I997 CarbonylContact O-C 3.57Å; I994-I997 PolarHBondContact O-N 3.49Å; I994-I998 HydrophobicContact CB-CB 4.15Å; I994-I998 HydrophobicContact CG1-CB 3.98Å; I994-I998 HydrophobicContact CG1-CD1 3.95Å; I994-I998 HydrophobicContact CG1-CG1 4.22Å; I994-I998 HydrophobicContact CG2-CB 4.16Å; I994-I998 CarbonylContact O-C 3.59Å; I994-I998 PolarHBondContact O-N 3.1Å; I994-L999 HydrophobicContact CG2-CB 4.23Å; I994-L999 WeakPolarHBondContact O-CA 3.38Å; I994-L999 WeakPolarHBondContact O-CB 3.35Å; I994-L999 PolarHBondContact O-N 3.27Å |
| 995 | C | 54.3 | Low | 57.2 | Low | 60 Ų | 60 | 95.9 Ų | 95.9 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -47.5 | -26.8 | -178.6 | -75.7 | 0 | 0 | 0 | 0 | 116.3 | I991 S992 L999 | I991-C995 WeakPolarHBondContact O-CA 3.3Å; I991-C995 WeakPolarHBondContact O-CB 3.44Å; I991-C995 PolarHBondContact O-N 3.25Å; I991-C995 PolarHBondContact O-SG 3.21Å; S992-C995 CarbonylContact O-C 3.53Å; S992-C995 PolarHBondContact O-N 2.88Å; C995-L999 VanDerWaalsContact CA-CB 3.42Å; C995-L999 HydrophobicContact CB-CD2 4.24Å |
| 996 | F | 57.1 | Low | 58.3 | Low | 163 Ų | 163 | 95.3 Ų | 95.3 | 72% | 0.715 | 47% | 0.473 | S | S | * | . | I | π-helix | trans | -105.5 | -19 | 177.3 | -84.2 | -84.5 | 0 | 0 | 0 | 116.4 | S992 I994 P1000 | S992-F996 WeakPolarHBondContact O-CB 3.47Å; S992-F996 WeakPolarHBondContact O-CD2 3.45Å; S992-F996 PolarHBondContact O-N 2.93Å; I994-F996 PolarHBondContact O-N 3.25Å; F996-P1000 VanDerWaalsContact C-CD 3.48Å; F996-P1000 VanDerWaalsContact C-CG 3.47Å; F996-P1000 WeakPolarHBondContact O-CG 3.1Å |
| 997 | I | 61.9 | Low | 59.7 | Low | 72 Ų | 72 | 92.4 Ų | 92.4 | 37% | 0.369 | 46% | 0.463 | S | S | . | . | I | π-helix | trans | -127.1 | -61.6 | 177.2 | -56.4 | -179.9 | 0 | 0 | 0 | 110 | W993 I994 L999 P1000 I1001 | W993-I997 HydrophobicContact CD2-CD1 4.26Å; W993-I997 HydrophobicContact CG-CD1 4.49Å; W993-I997 HydrophobicContact CZ2-CD1 4.08Å; W993-I997 WeakPolarHBondContact O-CA 3.15Å; W993-I997 VanDerWaalsContact O-CB 3.3Å; W993-I997 WeakPolarHBondContact O-CB 3.39Å; W993-I997 PolarHBondContact O-N 2.96Å; I994-I997 CarbonylContact O-C 3.57Å; I994-I997 PolarHBondContact O-N 3.49Å; I997-L999 PolarHBondContact O-N 2.8Å; I997-P1000 WeakPolarHBondContact O-CD 3.45Å; I997-P1000 WeakPolarHBondContact O-CG 3.35Å; I997-I1001 HydrophobicContact CG2-CD1 3.85Å; I997-I1001 VanDerWaalsContact O-CB 3.23Å; I997-I1001 WeakPolarHBondContact O-CB 3.34Å; I997-I1001 WeakPolarHBondContact O-CG1 3.34Å; I997-I1001 PolarHBondContact O-N 2.89Å |
| 998 | I | 62 | Low | 61.2 | Low | 68 Ų | 68 | 92 Ų | 92 | 35% | 0.349 | 46% | 0.462 | S | S | . | . | I | π-helix | trans | -75.3 | -3.8 | -176.1 | -35 | -179.8 | 0 | 0 | 0 | 112.7 | W993 I994 I1002 | W993-I998 PolarHBondContact O-N 3.33Å; I994-I998 HydrophobicContact CB-CB 4.15Å; I994-I998 HydrophobicContact CG1-CB 3.98Å; I994-I998 HydrophobicContact CG1-CD1 3.95Å; I994-I998 HydrophobicContact CG1-CG1 4.22Å; I994-I998 HydrophobicContact CG2-CB 4.16Å; I994-I998 CarbonylContact O-C 3.59Å; I994-I998 PolarHBondContact O-N 3.1Å; I998-I1002 HydrophobicContact CG2-CD1 4.06Å; I998-I1002 HydrophobicContact CG2-CG1 4.33Å; I998-I1002 WeakPolarHBondContact O-CA 3.19Å; I998-I1002 WeakPolarHBondContact O-CB 3.41Å; I998-I1002 WeakPolarHBondContact O-CD1 3.45Å; I998-I1002 WeakPolarHBondContact O-CG1 3.42Å; I998-I1002 PolarHBondContact O-N 3.39Å |
| 999 | L | 61.2 | Low | 62.5 | Low | 65 Ų | 65 | 86.3 Ų | 86.3 | 34% | 0.34 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -107.2 | -33.1 | 176.7 | -166.2 | 82.4 | 0 | 0 | 0 | 113 | I994 C995 I997 I1001 I1002 L1003 | I994-L999 HydrophobicContact CG2-CB 4.23Å; I994-L999 WeakPolarHBondContact O-CA 3.38Å; I994-L999 WeakPolarHBondContact O-CB 3.35Å; I994-L999 PolarHBondContact O-N 3.27Å; C995-L999 VanDerWaalsContact CA-CB 3.42Å; C995-L999 HydrophobicContact CB-CD2 4.24Å; I997-L999 PolarHBondContact O-N 2.8Å; L999-I1001 VanDerWaalsContact C-N 3.26Å; L999-I1002 CarbonylContact O-C 3.45Å; L999-L1003 HydrophobicContact CD1-CD1 4.44Å; L999-L1003 HydrophobicContact CG-CD1 4.04Å; L999-L1003 WeakPolarHBondContact O-CA 3.47Å; L999-L1003 VanDerWaalsContact O-CB 3.22Å; L999-L1003 WeakPolarHBondContact O-CB 3.36Å; L999-L1003 VanDerWaalsContact O-CD1 3.27Å; L999-L1003 WeakPolarHBondContact O-CD1 3.45Å; L999-L1003 PolarHBondContact O-N 3.12Å |
| 1000 | P | 63.8 | Low | 63.4 | Low | 54 Ų | 54 | 82.7 Ų | 82.7 | 35% | 0.351 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65 | -34.5 | 154 | 19.1 | -26.1 | 0 | 0 | 0 | 110.5 | F996 I997 L1003 I1004 | F996-P1000 VanDerWaalsContact C-CD 3.48Å; F996-P1000 VanDerWaalsContact C-CG 3.47Å; F996-P1000 WeakPolarHBondContact O-CG 3.1Å; I997-P1000 WeakPolarHBondContact O-CD 3.45Å; I997-P1000 WeakPolarHBondContact O-CG 3.35Å; P1000-L1003 CarbonylContact O-C 3.6Å; P1000-L1003 PolarHBondContact O-N 3.25Å; P1000-I1004 WeakPolarHBondContact O-CB 3.32Å; P1000-I1004 WeakPolarHBondContact O-CD1 3.27Å; P1000-I1004 WeakPolarHBondContact O-CG1 3.37Å; P1000-I1004 PolarHBondContact O-N 2.82Å |
| 1001 | I | 74.1 | Confident | 64.1 | Low | 79 Ų | 79 | 82.9 Ų | 82.9 | 41% | 0.405 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.5 | -37.3 | 170.6 | -66.2 | 170.3 | 0 | 0 | 0 | 111.8 | I997 L999 I1004 L1005 | I997-I1001 HydrophobicContact CG2-CD1 3.85Å; I997-I1001 VanDerWaalsContact O-CB 3.23Å; I997-I1001 WeakPolarHBondContact O-CB 3.34Å; I997-I1001 WeakPolarHBondContact O-CG1 3.34Å; I997-I1001 PolarHBondContact O-N 2.89Å; L999-I1001 VanDerWaalsContact C-N 3.26Å; I1001-I1004 CarbonylContact O-C 3.53Å; I1001-I1004 PolarHBondContact O-N 3.14Å; I1001-L1005 HydrophobicContact CG2-CD1 3.72Å; I1001-L1005 HydrophobicContact CG2-CG 4.11Å; I1001-L1005 VanDerWaalsContact O-CB 3.25Å; I1001-L1005 WeakPolarHBondContact O-CB 3.43Å; I1001-L1005 VanDerWaalsContact O-CG 3.28Å; I1001-L1005 WeakPolarHBondContact O-CG 3.23Å; I1001-L1005 PolarHBondContact O-N 3.02Å |
| 1002 | I | 68.2 | Low | 64.6 | Low | 67 Ų | 67 | 84.7 Ų | 84.7 | 34% | 0.344 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -74.6 | -25.4 | 171 | -77.7 | 165.6 | 0 | 0 | 0 | 111.8 | I998 L999 I1004 L1005 L1006 | I998-I1002 HydrophobicContact CG2-CD1 4.06Å; I998-I1002 HydrophobicContact CG2-CG1 4.33Å; I998-I1002 WeakPolarHBondContact O-CA 3.19Å; I998-I1002 WeakPolarHBondContact O-CB 3.41Å; I998-I1002 WeakPolarHBondContact O-CD1 3.45Å; I998-I1002 WeakPolarHBondContact O-CG1 3.42Å; I998-I1002 PolarHBondContact O-N 3.39Å; L999-I1002 CarbonylContact O-C 3.45Å; I1002-I1004 VanDerWaalsContact C-N 3.34Å; I1002-L1005 CarbonylContact O-C 3.47Å; I1002-L1006 HydrophobicContact CG2-CD1 3.56Å; I1002-L1006 HydrophobicContact CG2-CG 3.92Å; I1002-L1006 WeakPolarHBondContact O-CA 3.34Å; I1002-L1006 WeakPolarHBondContact O-CB 3.33Å; I1002-L1006 WeakPolarHBondContact O-CG 3.47Å; I1002-L1006 PolarHBondContact O-N 3.41Å |
| 1003 | L | 65.9 | Low | 65.3 | Low | 100 Ų | 100 | 89 Ų | 89 | 52% | 0.524 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73.4 | -28.4 | 165.4 | -100.9 | 79 | 0 | 0 | 0 | 111.1 | L999 P1000 T1007 | L999-L1003 HydrophobicContact CD1-CD1 4.44Å; L999-L1003 HydrophobicContact CG-CD1 4.04Å; L999-L1003 WeakPolarHBondContact O-CA 3.47Å; L999-L1003 VanDerWaalsContact O-CB 3.22Å; L999-L1003 WeakPolarHBondContact O-CB 3.36Å; L999-L1003 VanDerWaalsContact O-CD1 3.27Å; L999-L1003 WeakPolarHBondContact O-CD1 3.45Å; L999-L1003 PolarHBondContact O-N 3.12Å; P1000-L1003 CarbonylContact O-C 3.6Å; P1000-L1003 PolarHBondContact O-N 3.25Å; L1003-T1007 WeakPolarHBondContact O-CA 3.48Å; L1003-T1007 WeakPolarHBondContact O-CB 3.4Å; L1003-T1007 WeakPolarHBondContact O-CG2 3.33Å; L1003-T1007 PolarHBondContact O-N 2.88Å; L1003-T1007 PolarHBondContact O-OG1 2.78Å |
| 1004 | I | 76.6 | Confident | 65.5 | Low | 94 Ų | 94 | 84.4 Ų | 84.4 | 48% | 0.482 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -80.3 | -26.3 | 173.1 | -72.8 | 163.3 | 0 | 0 | 0 | 111 | P1000 I1001 I1002 T1007 L1008 | P1000-I1004 WeakPolarHBondContact O-CB 3.32Å; P1000-I1004 WeakPolarHBondContact O-CD1 3.27Å; P1000-I1004 WeakPolarHBondContact O-CG1 3.37Å; P1000-I1004 PolarHBondContact O-N 2.82Å; I1001-I1004 CarbonylContact O-C 3.53Å; I1001-I1004 PolarHBondContact O-N 3.14Å; I1002-I1004 VanDerWaalsContact C-N 3.34Å; I1004-T1007 WeakPolarHBondContact CA-OG1 3.48Å; I1004-T1007 PolarHBondContact O-OG1 3.35Å; I1004-L1008 HydrophobicContact CG2-CD1 3.9Å; I1004-L1008 HydrophobicContact CG2-CG 4.43Å; I1004-L1008 WeakPolarHBondContact O-CA 3.37Å; I1004-L1008 WeakPolarHBondContact O-CB 3.35Å; I1004-L1008 WeakPolarHBondContact O-CD1 3.33Å; I1004-L1008 WeakPolarHBondContact O-CG 3.01Å; I1004-L1008 PolarHBondContact O-N 2.68Å |
| 1005 | L | 76.3 | Confident | 65.6 | Low | 103 Ų | 103 | 84.9 Ų | 84.9 | 54% | 0.539 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -95.7 | -6.4 | 173.7 | -68.3 | 174.2 | 0 | 0 | 0 | 112.9 | I1001 I1002 G1009 | I1001-L1005 HydrophobicContact CG2-CD1 3.72Å; I1001-L1005 HydrophobicContact CG2-CG 4.11Å; I1001-L1005 VanDerWaalsContact O-CB 3.25Å; I1001-L1005 WeakPolarHBondContact O-CB 3.43Å; I1001-L1005 VanDerWaalsContact O-CG 3.28Å; I1001-L1005 WeakPolarHBondContact O-CG 3.23Å; I1001-L1005 PolarHBondContact O-N 3.02Å; I1002-L1005 CarbonylContact O-C 3.47Å; L1005-G1009 VanDerWaalsContact C-N 3.31Å; L1005-G1009 WeakPolarHBondContact O-CA 3.18Å; L1005-G1009 PolarHBondContact O-N 2.88Å |
| 1006 | L | 69.2 | Low | 65.6 | Low | 92 Ų | 92 | 89.8 Ų | 89.8 | 48% | 0.482 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -102.8 | -20 | 162 | -71.2 | 171.4 | 0 | 0 | 0 | 111.1 | I1002 I1010 | I1002-L1006 HydrophobicContact CG2-CD1 3.56Å; I1002-L1006 HydrophobicContact CG2-CG 3.92Å; I1002-L1006 WeakPolarHBondContact O-CA 3.34Å; I1002-L1006 WeakPolarHBondContact O-CB 3.33Å; I1002-L1006 WeakPolarHBondContact O-CG 3.47Å; I1002-L1006 PolarHBondContact O-N 3.41Å; L1006-I1010 WeakPolarHBondContact O-CA 3.4Å; L1006-I1010 WeakPolarHBondContact O-CB 3.28Å; L1006-I1010 VanDerWaalsContact O-CD1 3.32Å; L1006-I1010 WeakPolarHBondContact O-CD1 3.47Å; L1006-I1010 WeakPolarHBondContact O-CG1 3.45Å; L1006-I1010 PolarHBondContact O-N 3.42Å |
| 1007 | T | 67.9 | Low | 65.2 | Low | 73 Ų | 73 | 88.7 Ų | 88.7 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -81.5 | -48.2 | 161.9 | 62.8 | 0 | 0 | 0 | 0 | 109 | L1003 I1004 G1009 I1010 I1011 | L1003-T1007 WeakPolarHBondContact O-CA 3.48Å; L1003-T1007 WeakPolarHBondContact O-CB 3.4Å; L1003-T1007 WeakPolarHBondContact O-CG2 3.33Å; L1003-T1007 PolarHBondContact O-N 2.88Å; L1003-T1007 PolarHBondContact O-OG1 2.78Å; I1004-T1007 WeakPolarHBondContact CA-OG1 3.48Å; I1004-T1007 PolarHBondContact O-OG1 3.35Å; T1007-G1009 PolarHBondContact O-N 3.05Å; T1007-I1010 PolarHBondContact O-N 3.49Å; T1007-I1011 WeakPolarHBondContact O-CA 3.46Å; T1007-I1011 WeakPolarHBondContact O-CB 3.48Å; T1007-I1011 WeakPolarHBondContact O-CD1 3.31Å; T1007-I1011 WeakPolarHBondContact O-CG1 3.48Å; T1007-I1011 PolarHBondContact O-N 3.26Å |
| 1008 | L | 75.1 | Confident | 64.6 | Low | 85 Ų | 85 | 91 Ų | 91 | 45% | 0.445 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.1 | -23.4 | 163.2 | -67 | 166.9 | 0 | 0 | 0 | 111.7 | I1004 L1012 | I1004-L1008 HydrophobicContact CG2-CD1 3.9Å; I1004-L1008 HydrophobicContact CG2-CG 4.43Å; I1004-L1008 WeakPolarHBondContact O-CA 3.37Å; I1004-L1008 WeakPolarHBondContact O-CB 3.35Å; I1004-L1008 WeakPolarHBondContact O-CD1 3.33Å; I1004-L1008 WeakPolarHBondContact O-CG 3.01Å; I1004-L1008 PolarHBondContact O-N 2.68Å; L1008-L1012 WeakPolarHBondContact O-CA 3.43Å; L1008-L1012 WeakPolarHBondContact O-CB 3.41Å; L1008-L1012 WeakPolarHBondContact O-CD1 3.49Å; L1008-L1012 WeakPolarHBondContact O-CG 3.14Å; L1008-L1012 PolarHBondContact O-N 2.65Å |
| 1009 | G | 74.4 | Confident | 63.4 | Low | 25 Ų | 25 | 93.5 Ų | 93.5 | 26% | 0.258 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -83.8 | -31.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1005 T1007 W1013 | L1005-G1009 VanDerWaalsContact C-N 3.31Å; L1005-G1009 WeakPolarHBondContact O-CA 3.18Å; L1005-G1009 PolarHBondContact O-N 2.88Å; T1007-G1009 PolarHBondContact O-N 3.05Å; G1009-W1013 WeakPolarHBondContact O-CA 3.45Å; G1009-W1013 WeakPolarHBondContact O-CB 3.29Å; G1009-W1013 PolarHBondContact O-N 2.74Å |
| 1010 | I | 65.8 | Low | 62.4 | Low | 90 Ų | 90 | 98.1 Ų | 98.1 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -86.9 | -27.2 | 171.4 | -66.6 | 164.2 | 0 | 0 | 0 | 109.8 | L1006 T1007 L1014 | L1006-I1010 WeakPolarHBondContact O-CA 3.4Å; L1006-I1010 WeakPolarHBondContact O-CB 3.28Å; L1006-I1010 VanDerWaalsContact O-CD1 3.32Å; L1006-I1010 WeakPolarHBondContact O-CD1 3.47Å; L1006-I1010 WeakPolarHBondContact O-CG1 3.45Å; L1006-I1010 PolarHBondContact O-N 3.42Å; T1007-I1010 PolarHBondContact O-N 3.49Å; I1010-L1014 HydrophobicContact CG2-CD1 3.76Å; I1010-L1014 HydrophobicContact CG2-CG 4.08Å; I1010-L1014 WeakPolarHBondContact O-CA 3.3Å; I1010-L1014 WeakPolarHBondContact O-CB 3.44Å; I1010-L1014 WeakPolarHBondContact O-CD1 3.46Å; I1010-L1014 WeakPolarHBondContact O-CG 3.24Å; I1010-L1014 PolarHBondContact O-N 2.92Å |
| 1011 | I | 64.3 | Low | 61.3 | Low | 93 Ų | 93 | 103.3 Ų | 103.3 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.8 | -40.1 | 167.2 | -66.2 | 163.1 | 0 | 0 | 0 | 109.2 | T1007 C1015 | T1007-I1011 WeakPolarHBondContact O-CA 3.46Å; T1007-I1011 WeakPolarHBondContact O-CB 3.48Å; T1007-I1011 WeakPolarHBondContact O-CD1 3.31Å; T1007-I1011 WeakPolarHBondContact O-CG1 3.48Å; T1007-I1011 PolarHBondContact O-N 3.26Å; I1011-C1015 WeakPolarHBondContact O-CA 3.23Å; I1011-C1015 WeakPolarHBondContact O-CB 3.47Å; I1011-C1015 PolarHBondContact O-N 3.46Å; I1011-C1015 PolarHBondContact O-SG 2.88Å |
| 1012 | L | 65 | Low | 59.1 | Low | 119 Ų | 119 | 106.5 Ų | 106.5 | 62% | 0.623 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -72.6 | -34 | 170.2 | -74.5 | 165.8 | 0 | 0 | 0 | 111.7 | L1008 C1015 Y1016 | L1008-L1012 WeakPolarHBondContact O-CA 3.43Å; L1008-L1012 WeakPolarHBondContact O-CB 3.41Å; L1008-L1012 WeakPolarHBondContact O-CD1 3.49Å; L1008-L1012 WeakPolarHBondContact O-CG 3.14Å; L1008-L1012 PolarHBondContact O-N 2.65Å; L1012-C1015 CarbonylContact O-C 3.51Å; L1012-Y1016 WeakPolarHBondContact O-CA 3.5Å; L1012-Y1016 WeakPolarHBondContact O-CB 3.33Å; L1012-Y1016 PolarHBondContact O-N 3.03Å |
| 1013 | W | 64.6 | Low | 57.1 | Low | 148 Ų | 148 | 110.3 Ų | 110.3 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72.2 | -40.2 | 174.3 | -179.5 | 78.5 | 0 | 0 | 0 | 111.6 | G1009 K1017 | G1009-W1013 WeakPolarHBondContact O-CA 3.45Å; G1009-W1013 WeakPolarHBondContact O-CB 3.29Å; G1009-W1013 PolarHBondContact O-N 2.74Å; W1013-K1017 HydrophobicContact CH2-CD 4.36Å; W1013-K1017 VanDerWaalsContact CH2-NZ 3.31Å; W1013-K1017 HydrophobicContact CZ2-CD 4.22Å; W1013-K1017 WeakPolarHBondContact O-CB 3.31Å; W1013-K1017 PolarHBondContact O-N 3.49Å |
| 1014 | L | 54.5 | Low | 55.2 | Low | 73 Ų | 73 | 110.8 Ų | 110.8 | 38% | 0.382 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.1 | -47.5 | 170.2 | -71 | 169 | 0 | 0 | 0 | 110.1 | I1010 Y1016 K1017 I1018 | I1010-L1014 HydrophobicContact CG2-CD1 3.76Å; I1010-L1014 HydrophobicContact CG2-CG 4.08Å; I1010-L1014 WeakPolarHBondContact O-CA 3.3Å; I1010-L1014 WeakPolarHBondContact O-CB 3.44Å; I1010-L1014 WeakPolarHBondContact O-CD1 3.46Å; I1010-L1014 WeakPolarHBondContact O-CG 3.24Å; I1010-L1014 PolarHBondContact O-N 2.92Å; L1014-Y1016 VanDerWaalsContact C-N 3.34Å; L1014-Y1016 PolarHBondContact O-N 2.8Å; L1014-K1017 CarbonylContact O-C 3.19Å; L1014-K1017 VanDerWaalsContact O-C 3.25Å; L1014-K1017 WeakPolarHBondContact O-CA 3.25Å; L1014-K1017 PolarHBondContact O-N 2.79Å; L1014-I1018 HydrophobicContact CB-CD1 4.09Å; L1014-I1018 HydrophobicContact CD2-CD1 4.47Å; L1014-I1018 WeakPolarHBondContact O-CA 3.47Å; L1014-I1018 WeakPolarHBondContact O-CB 3.46Å; L1014-I1018 WeakPolarHBondContact O-CD1 3.44Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.12Å; L1014-I1018 PolarHBondContact O-N 2.68Å |
| 1015 | C | 55.2 | Low | 52.8 | Low | 59 Ų | 59 | 111.9 Ų | 111.9 | 40% | 0.399 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.8 | -23 | 176.9 | -68.7 | 0 | 0 | 0 | 0 | 113.8 | I1011 L1012 N1019 | I1011-C1015 WeakPolarHBondContact O-CA 3.23Å; I1011-C1015 WeakPolarHBondContact O-CB 3.47Å; I1011-C1015 PolarHBondContact O-N 3.46Å; I1011-C1015 PolarHBondContact O-SG 2.88Å; L1012-C1015 CarbonylContact O-C 3.51Å; C1015-N1019 WeakPolarHBondContact O-CA 3.26Å; C1015-N1019 WeakPolarHBondContact O-CB 3.3Å; C1015-N1019 PolarHBondContact O-N 3.07Å |
| 1016 | Y | 53.7 | Low | 50.5 | Low | 163 Ų | 163 | 111 Ų | 111 | 64% | 0.639 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -80.4 | -23.7 | 169.7 | -164.9 | -89.8 | 0 | 0 | 0 | 110.9 | L1012 L1014 Y1020 | L1012-Y1016 WeakPolarHBondContact O-CA 3.5Å; L1012-Y1016 WeakPolarHBondContact O-CB 3.33Å; L1012-Y1016 PolarHBondContact O-N 3.03Å; L1014-Y1016 VanDerWaalsContact C-N 3.34Å; L1014-Y1016 PolarHBondContact O-N 2.8Å; Y1016-Y1020 HydrophobicContact CD2-CD2 4.28Å; Y1016-Y1020 HydrophobicContact CE1-CD2 4.39Å; Y1016-Y1020 AromaticContact CE2-CD2 3.86Å; Y1016-Y1020 HydrophobicContact CE2-CD2 3.86Å; Y1016-Y1020 HydrophobicContact CE2-CE2 4.17Å; Y1016-Y1020 AromaticContact CZ-CD2 3.92Å; Y1016-Y1020 WeakPolarHBondContact O-CB 3.41Å |
| 1017 | K | 50.1 | Low | 48.4 | Very low | 140 Ų | 140 | 114.9 Ų | 114.9 | 61% | 0.609 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -93.1 | -4.6 | 173.8 | -167.1 | 175.8 | -175.2 | -179.4 | 0 | 113.8 | W1013 L1014 | W1013-K1017 HydrophobicContact CH2-CD 4.36Å; W1013-K1017 VanDerWaalsContact CH2-NZ 3.31Å; W1013-K1017 HydrophobicContact CZ2-CD 4.22Å; W1013-K1017 WeakPolarHBondContact O-CB 3.31Å; W1013-K1017 PolarHBondContact O-N 3.49Å; L1014-K1017 CarbonylContact O-C 3.19Å; L1014-K1017 VanDerWaalsContact O-C 3.25Å; L1014-K1017 WeakPolarHBondContact O-CA 3.25Å; L1014-K1017 PolarHBondContact O-N 2.79Å |
| 1018 | I | 48.2 | Very low | 46.5 | Very low | 121 Ų | 121 | 118.6 Ų | 118.6 | 62% | 0.621 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -125.4 | -22.5 | -178.5 | -66.7 | 169 | 0 | 0 | 0 | 111.6 | L1014 | L1014-I1018 HydrophobicContact CB-CD1 4.09Å; L1014-I1018 HydrophobicContact CD2-CD1 4.47Å; L1014-I1018 WeakPolarHBondContact O-CA 3.47Å; L1014-I1018 WeakPolarHBondContact O-CB 3.46Å; L1014-I1018 WeakPolarHBondContact O-CD1 3.44Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.12Å; L1014-I1018 PolarHBondContact O-N 2.68Å |
| 1019 | N | 36.7 | Very low | 44.2 | Very low | 120 Ų | 120 | 119.8 Ų | 119.8 | 64% | 0.642 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -127.1 | 15.9 | -174.4 | -143.5 | 5.2 | 0 | 0 | 0 | 113.7 | C1015 | C1015-N1019 WeakPolarHBondContact O-CA 3.26Å; C1015-N1019 WeakPolarHBondContact O-CB 3.3Å; C1015-N1019 PolarHBondContact O-N 3.07Å |
| 1020 | Y | 39.8 | Very low | 42.5 | Very low | 162 Ų | 162 | 126.2 Ų | 126.2 | 64% | 0.635 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -104.4 | 83.6 | 164.5 | -156.7 | -68.8 | 0 | 0 | 0 | 108.9 | Y1016 | Y1016-Y1020 HydrophobicContact CD2-CD2 4.28Å; Y1016-Y1020 HydrophobicContact CE1-CD2 4.39Å; Y1016-Y1020 AromaticContact CE2-CD2 3.86Å; Y1016-Y1020 HydrophobicContact CE2-CD2 3.86Å; Y1016-Y1020 HydrophobicContact CE2-CE2 4.17Å; Y1016-Y1020 AromaticContact CZ-CD2 3.92Å; Y1016-Y1020 WeakPolarHBondContact O-CB 3.41Å |
| 1021 | K | 40.9 | Very low | 41 | Very low | 164 Ų | 164 | 126.8 Ų | 126.8 | 71% | 0.713 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 61.1 | 128.8 | -170.1 | -72.3 | -178.8 | 171.5 | -178.6 | 0 | 114.9 | ||
| 1022 | N | 28.3 | Very low | 39.2 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 78% | 0.775 | 66% | 0.662 | S | S | * | * | S | Bend | cis | -96.5 | 139.2 | 4.2 | -77.1 | -14.7 | 0 | 0 | 0 | 112.9 | ||
| 1023 | Q | 25.5 | Very low | 37.6 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 69% | 0.692 | 67% | 0.667 | S | S | * | * | trans | -58.4 | 148.5 | 174.7 | -62.8 | 152.9 | -95.1 | 0 | 0 | 111.9 | ||||
| 1024 | C | 26.1 | Very low | 36.2 | Very low | 109 Ų | 109 | 129.2 Ų | 129.2 | 74% | 0.736 | 67% | 0.674 | S | S | * | * | trans | 67.2 | 152.5 | 146.3 | -64.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1025 | T | 27 | Very low | 35.1 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 72% | 0.718 | 69% | 0.691 | S | S | * | * | cis | -159.4 | 158.6 | -8.1 | 12.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1026 | S | 27.2 | Very low | 33.9 | Very low | 85 Ų | 85 | 140 Ų | 140 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | trans | 56.9 | 126.4 | 140.5 | 66.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1027 | E | 26.9 | Very low | 33 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | trans | 80.4 | 165.3 | 131.1 | -69.3 | 165.5 | -149.7 | 0 | 0 | 121.4 | ||||
| 1028 | I | 27.7 | Very low | 32.5 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 77% | 0.774 | 70% | 0.704 | S | S | * | * | trans | 63.3 | 97.6 | 176 | -48.5 | 174.8 | 0 | 0 | 0 | 113.8 | ||||
| 1029 | S | 26.7 | Very low | 31.7 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 76% | 0.762 | 71% | 0.706 | S | S | * | * | cis | 77.9 | 152.7 | 48.1 | 96.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1030 | L | 37.7 | Very low | 31.1 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 84% | 0.838 | 71% | 0.708 | S | S | * | * | trans | -60.5 | 165.5 | -171.7 | -96.1 | 64.2 | 0 | 0 | 0 | 114.4 | ||||
| 1031 | P | 34.9 | Very low | 30.7 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 66% | 0.662 | 72% | 0.72 | S | S | * | * | cis | -138.1 | -148.9 | -5.4 | 34.8 | -11.1 | 0 | 0 | 0 | 113 | ||||
| 1032 | N | 27.4 | Very low | 30.6 | Very low | 134 Ų | 134 | 140 Ų | 140 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 63.2 | 66.4 | 150 | -71.3 | -11.4 | 0 | 0 | 0 | 120.5 | ||
| 1033 | I | 31 | Very low | 30.5 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 73% | 0.728 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -137.2 | -37.1 | 136.9 | -101.6 | 158.8 | 0 | 0 | 0 | 109.7 | Y1035 K1036 | I1033-Y1035 PolarHBondContact O-N 3.49Å; I1033-K1036 PolarHBondContact O-N 3.36Å |
| 1034 | L | 34.2 | Very low | 30.6 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 71% | 0.712 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 19.7 | -174.8 | -143.9 | 74.4 | 0 | 0 | 0 | 115.7 | I1038 | L1034-I1038 HydrophobicContact CD1-CD1 3.74Å; L1034-I1038 HydrophobicContact CD1-CG1 4.39Å; L1034-I1038 HydrophobicContact CG-CD1 3.92Å; L1034-I1038 HydrophobicContact CG-CG1 4.1Å; L1034-I1038 VanDerWaalsContact O-CB 3.27Å; L1034-I1038 WeakPolarHBondContact O-CB 3.25Å; L1034-I1038 WeakPolarHBondContact O-CG1 3.26Å |
| 1035 | Y | 31.8 | Very low | 30.6 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 73% | 0.729 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | -20.9 | 176.8 | -143 | -93.1 | 0 | 0 | 0 | 113.3 | I1033 Y1039 | I1033-Y1035 PolarHBondContact O-N 3.49Å; Y1035-Y1039 WeakPolarHBondContact O-CB 3.46Å; Y1035-Y1039 PolarHBondContact O-N 2.89Å |
| 1036 | K | 30.4 | Very low | 30.7 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | -37.3 | -174.6 | -161.3 | 167.9 | -177 | 176.9 | 0 | 115.2 | I1033 I1038 N1040 | I1033-K1036 PolarHBondContact O-N 3.36Å; K1036-I1038 PolarHBondContact O-N 3.47Å; K1036-N1040 PolarHBondContact O-N 3.12Å |
| 1037 | H | 33.7 | Very low | 30.8 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 69% | 0.69 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -63.8 | -23.5 | 159.7 | -96.5 | -55.7 | 0 | 0 | 0 | 111.4 | R1041 | H1037-R1041 WeakPolarHBondContact O-CB 3.47Å; H1037-R1041 PolarHBondContact O-N 3.47Å |
| 1038 | I | 39.7 | Very low | 30.9 | Very low | 94 Ų | 94 | 148.3 Ų | 148.3 | 48% | 0.482 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -92.7 | -19.6 | -174.7 | -79 | 63.4 | 0 | 0 | 0 | 112.4 | L1034 K1036 | L1034-I1038 HydrophobicContact CD1-CD1 3.74Å; L1034-I1038 HydrophobicContact CD1-CG1 4.39Å; L1034-I1038 HydrophobicContact CG-CD1 3.92Å; L1034-I1038 HydrophobicContact CG-CG1 4.1Å; L1034-I1038 VanDerWaalsContact O-CB 3.27Å; L1034-I1038 WeakPolarHBondContact O-CB 3.25Å; L1034-I1038 WeakPolarHBondContact O-CG1 3.26Å; K1036-I1038 PolarHBondContact O-N 3.47Å |
| 1039 | Y | 31 | Very low | 30.9 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 66% | 0.659 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -84.5 | -16.2 | 163 | -161.7 | -93.6 | 0 | 0 | 0 | 113.2 | Y1035 L1042 | Y1035-Y1039 WeakPolarHBondContact O-CB 3.46Å; Y1035-Y1039 PolarHBondContact O-N 2.89Å; Y1039-L1042 HydrophobicContact CD2-CD1 4.32Å; Y1039-L1042 WeakPolarHBondContact O-CB 3.46Å |
| 1040 | N | 26.1 | Very low | 30.9 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -130 | 10.3 | -172.9 | -95.1 | -11.7 | 0 | 0 | 0 | 117.6 | K1036 | K1036-N1040 PolarHBondContact O-N 3.12Å |
| 1041 | R | 30.9 | Very low | 30.4 | Very low | 234 Ų | 234 | 144.5 Ų | 144.5 | 88% | 0.883 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -86.9 | 16.7 | 148 | -149 | -178.2 | -163.6 | -179.2 | 6.3 | 111.1 | H1037 | H1037-R1041 WeakPolarHBondContact O-CB 3.47Å; H1037-R1041 PolarHBondContact O-N 3.47Å |
| 1042 | L | 38.9 | Very low | 30 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 51% | 0.508 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -89.9 | -11 | -160.4 | -160.6 | 146.3 | 0 | 0 | 0 | 113.4 | Y1039 | Y1039-L1042 HydrophobicContact CD2-CD1 4.32Å; Y1039-L1042 WeakPolarHBondContact O-CB 3.46Å |
| 1043 | H | 25.5 | Very low | 29.9 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -135.6 | 143.7 | 171.2 | -95.7 | -93 | 0 | 0 | 0 | 113 | ||
| 1044 | S | 27.1 | Very low | 29.6 | Very low | 78 Ų | 78 | 144.7 Ų | 144.7 | 55% | 0.545 | 72% | 0.715 | S | S | . | * | S | Bend | trans | 76.4 | 145.5 | 180 | 78.1 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1045 | Y | 27.6 | Very low | 29.2 | Very low | 222 Ų | 222 | 145.4 Ų | 145.4 | 87% | 0.871 | 72% | 0.719 | S | S | * | * | trans | 52.8 | 60.7 | 176.5 | -58.1 | -78.3 | 0 | 0 | 0 | 115.9 | ||||
| 1046 | H | 29.2 | Very low | 28.9 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | cis | 79.2 | 128.8 | 46.2 | -82.2 | -54.9 | 0 | 0 | 0 | 118.1 | ||||
| 1047 | Y | 27.9 | Very low | 28.6 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | trans | 70.1 | 124.2 | 164.4 | -98.8 | -120.6 | 0 | 0 | 0 | 118.8 | ||||
| 1048 | K | 30.2 | Very low | 28.2 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 65% | 0.648 | 73% | 0.732 | S | S | * | * | cis | -160.4 | 45.7 | -18.6 | -139.4 | 177.7 | -164.2 | 171.1 | 0 | 113.3 | ||||
| 1049 | A | 26.1 | Very low | 27.6 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | -72.8 | 176.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1050 | S | 28.4 | Very low | 27.4 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | cis | -160.7 | 136 | 12.3 | 37.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1051 | L | 26.4 | Very low | 27.4 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | cis | 63.5 | 123.6 | 32.7 | -144 | 75.2 | 0 | 0 | 0 | 114.3 | ||||
| 1052 | S | 26 | Very low | 27.3 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 56.4 | 86.1 | -179.9 | 56.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1053 | S | 25.2 | Very low | 26.9 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -170.7 | 32.3 | 147 | 35.4 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1054 | L | 26.1 | Very low | 27.5 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -140.1 | 34.1 | 170.5 | -125.2 | 170.9 | 0 | 0 | 0 | 112.5 | ||
| 1055 | L | 25 | Very low | 27.9 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -92 | 157.4 | 165.1 | -73.1 | 159.7 | 0 | 0 | 0 | 108.8 | ||||
| 1056 | S | 25.8 | Very low | 28.5 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 84% | 0.839 | 75% | 0.745 | S | S | * | * | trans | 61.4 | 61 | -179.3 | 70.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1057 | T | 24.8 | Very low | 29.6 | Very low | 129 Ų | 129 | 134 Ų | 134 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | -127.7 | 136.2 | 133.1 | 36.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1058 | S | 25.2 | Very low | 30.9 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 71% | 0.705 | S | S | * | * | trans | -96.5 | 110.6 | -162.5 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1059 | Y | 25.6 | Very low | 32.1 | Very low | 217 Ų | 217 | 122.5 Ų | 122.5 | 85% | 0.851 | 69% | 0.689 | S | S | * | * | trans | -111.8 | 137.8 | 157.8 | -97.8 | -89.9 | 0 | 0 | 0 | 110.4 | L1061 | Y1059-L1061 PolarHBondContact O-N 3.3Š| ||
| 1060 | S | 28 | Very low | 33.6 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 83% | 0.825 | 68% | 0.678 | S | S | * | * | trans | -82.7 | 65.6 | -159.4 | 47.3 | 0 | 0 | 0 | 0 | 115 | N1062 | S1060-N1062 PolarHBondContact O-N 3.49Š| ||
| 1061 | L | 26.5 | Very low | 35.2 | Very low | 127 Ų | 127 | 119.8 Ų | 119.8 | 67% | 0.665 | 65% | 0.649 | S | S | * | * | trans | -67.2 | 8.4 | 176 | -81.1 | 156.7 | 0 | 0 | 0 | 115.6 | Y1059 K1063 | Y1059-L1061 PolarHBondContact O-N 3.3Å; L1061-K1063 VanDerWaalsContact C-N 3.28Å; L1061-K1063 PolarHBondContact O-N 2.87Å | ||
| 1062 | N | 27.8 | Very low | 37 | Very low | 157 Ų | 157 | 113.2 Ų | 113.2 | 84% | 0.84 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | 31.6 | -157.5 | -127.3 | 2.6 | 0 | 0 | 0 | 115.6 | S1060 | S1060-N1062 PolarHBondContact O-N 3.49Š|
| 1063 | K | 31.4 | Very low | 38.8 | Very low | 189 Ų | 189 | 109.2 Ų | 109.2 | 82% | 0.822 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.6 | -38.7 | 176.8 | -83 | -173.7 | 176.8 | 175.2 | 0 | 115.7 | L1061 | L1061-K1063 VanDerWaalsContact C-N 3.28Å; L1061-K1063 PolarHBondContact O-N 2.87Å |
| 1064 | D | 36.2 | Very low | 40.6 | Very low | 94 Ų | 94 | 107.8 Ų | 107.8 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.2 | -33.6 | -178.8 | -75.7 | -7.8 | 0 | 0 | 0 | 111.6 | K1066 S1067 K1227 | D1064-K1066 PolarHBondContact O-N 3.44Å; D1064-S1067 PolarHBondContact O-N 2.7Å; D1064-S1067 PolarHBondContact O-OG 3.35Å; D1064-K1227 IonicContact OD1-NZ 3.95Å; D1064-K1227 VanDerWaalsContact OD2-CE 3.26Å; D1064-K1227 WeakPolarHBondContact OD2-CE 3.5Å; D1064-K1227 IonicContact OD2-NZ 2.76Å; D1064-K1227 PolarHBondContact OD2-NZ 3Å |
| 1065 | Y | 37.2 | Very low | 42.5 | Very low | 122 Ų | 122 | 100.3 Ų | 100.3 | 48% | 0.478 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.4 | -37.3 | -176.1 | -99.1 | -92.4 | 0 | 0 | 0 | 115.1 | S1067 V1068 E1069 | Y1065-S1067 PolarHBondContact O-N 2.96Å; Y1065-S1067 VanDerWaalsContact O-N 3.08Å; Y1065-V1068 PolarHBondContact O-N 3.18Å; Y1065-E1069 WeakPolarHBondContact O-CG 3.45Å; Y1065-E1069 PolarHBondContact O-N 3.12Å |
| 1066 | K | 39.2 | Very low | 44.6 | Very low | 155 Ų | 155 | 93.5 Ų | 93.5 | 67% | 0.674 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.6 | -23.9 | -178.1 | -123.9 | -179.4 | -176.2 | -178.7 | 0 | 113.8 | D1064 Q1070 | D1064-K1066 PolarHBondContact O-N 3.44Å; K1066-Q1070 VanDerWaalsContact O-CG 3.32Å; K1066-Q1070 WeakPolarHBondContact O-CG 3.42Å; K1066-Q1070 PolarHBondContact O-N 3.02Å |
| 1067 | S | 53.5 | Low | 46 | Very low | 62 Ų | 62 | 90.1 Ų | 90.1 | 43% | 0.434 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -75 | -44 | 172.3 | 69.5 | 0 | 0 | 0 | 0 | 111.8 | D1064 Y1065 Q1070 V1071 | D1064-S1067 PolarHBondContact O-N 2.7Å; D1064-S1067 PolarHBondContact O-OG 3.35Å; Y1065-S1067 PolarHBondContact O-N 2.96Å; Y1065-S1067 VanDerWaalsContact O-N 3.08Å; S1067-Q1070 PolarHBondContact O-N 3.35Å; S1067-V1071 WeakPolarHBondContact O-CG2 3.41Å; S1067-V1071 PolarHBondContact O-N 3.38Å |
| 1068 | V | 54.6 | Low | 47.4 | Very low | 28 Ų | 28 | 87.2 Ų | 87.2 | 17% | 0.17 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 179.4 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | Y1065 Q1070 V1071 L1072 F1222 L1226 | Y1065-V1068 PolarHBondContact O-N 3.18Å; V1068-Q1070 VanDerWaalsContact C-N 3.33Å; V1068-Q1070 PolarHBondContact O-N 3.49Å; V1068-V1071 PolarHBondContact O-N 2.77Å; V1068-V1071 VanDerWaalsContact O-N 3.17Å; V1068-L1072 HydrophobicContact CG1-CD1 3.45Å; V1068-L1072 VanDerWaalsContact CG1-CD1 3.45Å; V1068-L1072 VanDerWaalsContact O-CD1 3.27Å; V1068-L1072 WeakPolarHBondContact O-CD1 3.44Å; V1068-L1072 PolarHBondContact O-N 3.17Å; V1068-F1222 HydrophobicContact CG1-CE2 4.47Å; V1068-L1226 HydrophobicContact CG2-CD1 4.4Å |
| 1069 | E | 55.7 | Low | 48 | Very low | 64 Ų | 64 | 86.5 Ų | 86.5 | 30% | 0.299 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -56.6 | -44.1 | 174.1 | -70.1 | 167.8 | 171.4 | 0 | 0 | 112.3 | Y1065 L1072 S1073 M1110 | Y1065-E1069 WeakPolarHBondContact O-CG 3.45Å; Y1065-E1069 PolarHBondContact O-N 3.12Å; E1069-L1072 PolarHBondContact O-N 2.91Å; E1069-S1073 PolarHBondContact O-N 2.92Å; E1069-S1073 PolarHBondContact O-OG 2.92Å; E1069-M1110 HydrophobicContact CG-CE 4.2Å; E1069-M1110 VanDerWaalsContact OE1-CE 3.29Å; E1069-M1110 WeakPolarHBondContact OE1-CE 3.2Å |
| 1070 | Q | 57.6 | Low | 48.6 | Very low | 127 Ų | 127 | 80.8 Ų | 80.8 | 59% | 0.593 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67 | -36.6 | 176.4 | -73.9 | 177.2 | -29.5 | 0 | 0 | 112.7 | K1066 S1067 V1068 S1073 Q1074 | K1066-Q1070 VanDerWaalsContact O-CG 3.32Å; K1066-Q1070 WeakPolarHBondContact O-CG 3.42Å; K1066-Q1070 PolarHBondContact O-N 3.02Å; S1067-Q1070 PolarHBondContact O-N 3.35Å; V1068-Q1070 VanDerWaalsContact C-N 3.33Å; V1068-Q1070 PolarHBondContact O-N 3.49Å; Q1070-S1073 PolarHBondContact O-OG 3.35Å; Q1070-S1073 VanDerWaalsContact O-OG 3.07Å; Q1070-Q1074 WeakPolarHBondContact O-CB 3.44Å; Q1070-Q1074 VanDerWaalsContact O-CG 3.27Å; Q1070-Q1074 WeakPolarHBondContact O-CG 3.45Å; Q1070-Q1074 PolarHBondContact O-N 3.5Å; Q1070-Q1074 VanDerWaalsContact O-N 3.09Å |
| 1071 | V | 60.5 | Low | 48.6 | Very low | 17 Ų | 17 | 82 Ų | 82 | 10% | 0.103 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -70.9 | -38.4 | 175.4 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | S1067 V1068 Q1074 L1075 F1222 P1232 L1233 | S1067-V1071 WeakPolarHBondContact O-CG2 3.41Å; S1067-V1071 PolarHBondContact O-N 3.38Å; V1068-V1071 PolarHBondContact O-N 2.77Å; V1068-V1071 VanDerWaalsContact O-N 3.17Å; V1071-Q1074 PolarHBondContact O-N 2.89Å; V1071-L1075 HydrophobicContact CG1-CD1 3.98Å; V1071-L1075 HydrophobicContact CG1-CG 4.37Å; V1071-L1075 VanDerWaalsContact O-CB 3.29Å; V1071-L1075 WeakPolarHBondContact O-CB 3.21Å; V1071-L1075 VanDerWaalsContact O-CG 3.3Å; V1071-L1075 WeakPolarHBondContact O-CG 3.4Å; V1071-L1075 PolarHBondContact O-N 3.28Å; V1071-F1222 HydrophobicContact CG1-CE1 3.98Å; V1071-P1232 WeakPolarHBondContact CG1-O 3.47Å; V1071-P1232 HydrophobicContact CG2-CB 3.64Å; V1071-L1233 HydrophobicContact CG1-CD2 3.94Å |
| 1072 | L | 65.4 | Low | 48.8 | Very low | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.005 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68 | -39.9 | 175 | -91.3 | 110.9 | 0 | 0 | 0 | 113 | V1068 E1069 L1075 L1076 I1113 I1117 F1222 | V1068-L1072 HydrophobicContact CG1-CD1 3.45Å; V1068-L1072 VanDerWaalsContact CG1-CD1 3.45Å; V1068-L1072 VanDerWaalsContact O-CD1 3.27Å; V1068-L1072 WeakPolarHBondContact O-CD1 3.44Å; V1068-L1072 PolarHBondContact O-N 3.17Å; E1069-L1072 PolarHBondContact O-N 2.91Å; L1072-L1075 PolarHBondContact O-N 3.15Å; L1072-L1076 HydrophobicContact CD2-CD1 4.03Å; L1072-L1076 WeakPolarHBondContact O-CB 3.17Å; L1072-L1076 WeakPolarHBondContact O-CG 3.09Å; L1072-L1076 PolarHBondContact O-N 3.01Å; L1072-I1113 HydrophobicContact CB-CG2 3.79Å; L1072-I1113 HydrophobicContact CD2-CG2 3.83Å; L1072-I1113 HydrophobicContact CG-CG2 4.38Å; L1072-I1117 HydrophobicContact CD1-CD1 3.64Å; L1072-I1117 HydrophobicContact CD1-CG1 3.92Å; L1072-I1117 HydrophobicContact CD2-CD1 3.95Å; L1072-I1117 HydrophobicContact CD2-CG1 3.61Å; L1072-I1117 HydrophobicContact CG-CD1 4.47Å; L1072-I1117 HydrophobicContact CG-CG1 4.44Å; L1072-F1222 HydrophobicContact CD1-CE1 4.48Å; L1072-F1222 HydrophobicContact CD1-CE2 3.56Å; L1072-F1222 HydrophobicContact CD1-CZ 3.46Å; L1072-F1222 VanDerWaalsContact CD1-CZ 3.46Å; L1072-F1222 HydrophobicContact CG-CE2 4.19Å; L1072-F1222 HydrophobicContact CG-CZ 3.89Å |
| 1073 | S | 63.3 | Low | 48.8 | Very low | 18 Ų | 18 | 79.8 Ų | 79.8 | 13% | 0.126 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 175.1 | 66.4 | 0 | 0 | 0 | 0 | 111.3 | E1069 Q1070 L1075 G1077 F1078 | E1069-S1073 PolarHBondContact O-N 2.92Å; E1069-S1073 PolarHBondContact O-OG 2.92Å; Q1070-S1073 PolarHBondContact O-OG 3.35Å; Q1070-S1073 VanDerWaalsContact O-OG 3.07Å; S1073-L1075 PolarHBondContact O-N 2.74Å; S1073-G1077 WeakPolarHBondContact O-CA 3.47Å; S1073-G1077 PolarHBondContact O-N 2.82Å; S1073-F1078 PolarHBondContact O-N 2.7Å |
| 1074 | Q | 63.6 | Low | 48.7 | Very low | 91 Ų | 91 | 78.6 Ų | 78.6 | 43% | 0.425 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.7 | -34.2 | 172.7 | -75.5 | -178.6 | -11.7 | 0 | 0 | 113.9 | Q1070 V1071 K1199 | Q1070-Q1074 WeakPolarHBondContact O-CB 3.44Å; Q1070-Q1074 VanDerWaalsContact O-CG 3.27Å; Q1070-Q1074 WeakPolarHBondContact O-CG 3.45Å; Q1070-Q1074 PolarHBondContact O-N 3.5Å; Q1070-Q1074 VanDerWaalsContact O-N 3.09Å; V1071-Q1074 PolarHBondContact O-N 2.89Å; Q1074-K1199 WeakPolarHBondContact O-CE 3.07Å; Q1074-K1199 PolarHBondContact O-NZ 2.72Å |
| 1075 | L | 66.8 | Low | 48.3 | Very low | 2 Ų | 2 | 83.8 Ų | 83.8 | 1% | 0.01 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -72.9 | -48.7 | 177 | -86.3 | 170.1 | 0 | 0 | 0 | 112.4 | V1071 L1072 S1073 K1199 I1202 R1203 F1222 L1233 V1236 | V1071-L1075 HydrophobicContact CG1-CD1 3.98Å; V1071-L1075 HydrophobicContact CG1-CG 4.37Å; V1071-L1075 VanDerWaalsContact O-CB 3.29Å; V1071-L1075 WeakPolarHBondContact O-CB 3.21Å; V1071-L1075 VanDerWaalsContact O-CG 3.3Å; V1071-L1075 WeakPolarHBondContact O-CG 3.4Å; V1071-L1075 PolarHBondContact O-N 3.28Å; L1072-L1075 PolarHBondContact O-N 3.15Å; S1073-L1075 PolarHBondContact O-N 2.74Å; L1075-K1199 HydrophobicContact CD2-CB 4.29Å; L1075-K1199 HydrophobicContact CD2-CG 4.23Å; L1075-I1202 HydrophobicContact CB-CG2 4.21Å; L1075-I1202 HydrophobicContact CD2-CB 4.47Å; L1075-I1202 HydrophobicContact CD2-CD1 3.74Å; L1075-I1202 HydrophobicContact CD2-CG2 4.31Å; L1075-R1203 WeakPolarHBondContact O-CB 2.99Å; L1075-F1222 HydrophobicContact CD1-CE1 4.38Å; L1075-F1222 HydrophobicContact CD1-CZ 4.12Å; L1075-L1233 HydrophobicContact CD1-CD2 4.21Å; L1075-L1233 HydrophobicContact CD2-CD2 3.57Å; L1075-L1233 HydrophobicContact CG-CD2 3.73Å; L1075-V1236 HydrophobicContact CD1-CG1 3.96Å; L1075-V1236 HydrophobicContact CD1-CG2 4.39Å |
| 1076 | L | 68 | Low | 48 | Very low | 7 Ų | 7 | 84.8 Ų | 84.8 | 4% | 0.037 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -86.3 | -12.4 | -173.6 | -62.8 | 170.4 | 0 | 0 | 0 | 113 | L1072 F1078 I1113 I1202 I1220 | L1072-L1076 HydrophobicContact CD2-CD1 4.03Å; L1072-L1076 WeakPolarHBondContact O-CB 3.17Å; L1072-L1076 WeakPolarHBondContact O-CG 3.09Å; L1072-L1076 PolarHBondContact O-N 3.01Å; L1076-F1078 HydrophobicContact CB-CD2 3.59Å; L1076-F1078 HydrophobicContact CB-CE2 3.73Å; L1076-F1078 HydrophobicContact CD1-CD2 4.22Å; L1076-F1078 HydrophobicContact CD1-CE2 4.03Å; L1076-F1078 HydrophobicContact CG-CE2 4.48Å; L1076-I1113 HydrophobicContact CD1-CG2 4.39Å; L1076-I1202 HydrophobicContact CD2-CG2 4.05Å; L1076-I1220 HydrophobicContact CD2-CD1 4.35Å |
| 1077 | G | 54.5 | Low | 47.6 | Very low | 50 Ų | 50 | 83.4 Ų | 83.4 | 52% | 0.515 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 18.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S1073 | S1073-G1077 WeakPolarHBondContact O-CA 3.47Å; S1073-G1077 PolarHBondContact O-N 2.82Å |
| 1078 | F | 54.3 | Low | 46.6 | Very low | 68 Ų | 68 | 86.2 Ų | 86.2 | 30% | 0.298 | 48% | 0.479 | S | S | . | . | trans | -81.1 | 124 | 178.1 | -70.6 | -66.5 | 0 | 0 | 0 | 111.7 | S1073 L1076 I1113 | S1073-F1078 PolarHBondContact O-N 2.7Å; L1076-F1078 HydrophobicContact CB-CD2 3.59Å; L1076-F1078 HydrophobicContact CB-CE2 3.73Å; L1076-F1078 HydrophobicContact CD1-CD2 4.22Å; L1076-F1078 HydrophobicContact CD1-CE2 4.03Å; L1076-F1078 HydrophobicContact CG-CE2 4.48Å; F1078-I1113 HydrophobicContact CB-CD1 4.24Å; F1078-I1113 HydrophobicContact CD2-CD1 3.97Å; F1078-I1113 HydrophobicContact CD2-CG1 3.58Å; F1078-I1113 HydrophobicContact CE2-CG1 3.9Å; F1078-I1113 HydrophobicContact CG-CD1 4.29Å; F1078-I1113 HydrophobicContact CG-CG1 4.33Å | ||
| 1079 | T | 39.3 | Very low | 45.4 | Very low | 103 Ų | 103 | 91 Ų | 91 | 63% | 0.632 | 50% | 0.504 | S | S | * | . | trans | -73.6 | 127 | 168.8 | 41.8 | 0 | 0 | 0 | 0 | 110.7 | I1361 | T1079-I1361 HydrophobicContact CG2-CD1 4.05Š| ||
| 1080 | V | 36.7 | Very low | 44.2 | Very low | 97 Ų | 97 | 94.4 Ų | 94.4 | 59% | 0.588 | 52% | 0.523 | S | S | * | . | trans | -97.8 | 104 | 169.4 | -176.9 | 0 | 0 | 0 | 0 | 107.3 | T1082 | V1080-T1082 HydrophobicContact CG1-CG2 4.11Å; V1080-T1082 PolarHBondContact O-N 3.2Å | ||
| 1081 | N | 29 | Very low | 42.9 | Very low | 142 Ų | 142 | 93.5 Ų | 93.5 | 76% | 0.759 | 53% | 0.526 | S | S | * | . | trans | -66.6 | 98.3 | 179.4 | -79.1 | 7.7 | 0 | 0 | 0 | 111 | ||||
| 1082 | T | 29.3 | Very low | 41.5 | Very low | 123 Ų | 123 | 98.6 Ų | 98.6 | 76% | 0.755 | 56% | 0.557 | S | S | * | * | trans | -102.9 | 71.2 | 173.5 | 57.6 | 0 | 0 | 0 | 0 | 111 | V1080 | V1080-T1082 HydrophobicContact CG1-CG2 4.11Å; V1080-T1082 PolarHBondContact O-N 3.2Å | ||
| 1083 | T | 28.2 | Very low | 39.8 | Very low | 115 Ų | 115 | 104.1 Ų | 104.1 | 71% | 0.706 | 59% | 0.591 | S | S | * | * | trans | -131.2 | 79.9 | 177.4 | 55.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1084 | N | 28.9 | Very low | 38.1 | Very low | 164 Ų | 164 | 108.7 Ų | 108.7 | 88% | 0.877 | 62% | 0.619 | S | S | * | * | trans | -88.9 | 121.6 | 150.1 | -78.3 | 19.7 | 0 | 0 | 0 | 107.1 | ||||
| 1085 | K | 29.4 | Very low | 36.5 | Very low | 203 Ų | 203 | 109.8 Ų | 109.8 | 88% | 0.883 | 63% | 0.632 | S | S | * | * | trans | -104.7 | 138 | 160.9 | -80.9 | -174.7 | 172.9 | -175.7 | 0 | 107.4 | ||||
| 1086 | D | 30.6 | Very low | 34.6 | Very low | 143 Ų | 143 | 115.3 Ų | 115.3 | 77% | 0.765 | 67% | 0.665 | S | S | * | * | trans | -102.1 | 134.5 | 160.8 | -68.9 | -52.3 | 0 | 0 | 0 | 109.1 | ||||
| 1087 | T | 30.6 | Very low | 32.8 | Very low | 127 Ų | 127 | 120.6 Ų | 120.6 | 78% | 0.779 | 70% | 0.698 | S | S | * | * | trans | 49.2 | 125 | 150.4 | 57.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1088 | T | 32.4 | Very low | 31.6 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | cis | -144.3 | -145.1 | -5.1 | 36.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1089 | D | 28.9 | Very low | 30.2 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | cis | -162.9 | 177.8 | 0.9 | -135 | -45 | 0 | 0 | 0 | 113.7 | ||||
| 1090 | I | 31.6 | Very low | 29.7 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 70% | 0.697 | 74% | 0.737 | S | S | * | * | trans | 63.4 | 92.8 | 155.6 | -68.4 | 170.1 | 0 | 0 | 0 | 119 | ||||
| 1091 | T | 30 | Very low | 29.3 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | trans | 66.1 | 119.1 | 134.1 | 65.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 1092 | T | 30.4 | Very low | 29.2 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 66.8 | 140.9 | 133.9 | 57.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1093 | T | 29.2 | Very low | 29.1 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | cis | -149.9 | 163.2 | 8.1 | -10.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1094 | T | 29 | Very low | 29.2 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | -6.3 | 150.4 | 154.8 | 51 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1095 | T | 29.4 | Very low | 29.3 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | cis | -157.3 | 152.4 | 33.3 | -18.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 1096 | T | 27.9 | Very low | 29.4 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | trans | 3.2 | 145.2 | 150.1 | 59.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1097 | T | 28.8 | Very low | 29.4 | Very low | 118 Ų | 118 | 120 Ų | 120 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | -156.3 | 160.2 | 53.2 | 36.5 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1098 | T | 29 | Very low | 29.7 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 72% | 0.718 | 71% | 0.71 | S | S | * | * | trans | 45.1 | 101.6 | 152.7 | 53.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 1099 | T | 26.8 | Very low | 30.1 | Very low | 121 Ų | 121 | 115.8 Ų | 115.8 | 74% | 0.742 | 69% | 0.691 | S | S | * | * | 74.6 | 111.9 | 63.8 | 67.3 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1100 | T | 27.9 | Very low | 30.5 | Very low | 129 Ų | 129 | 113.3 Ų | 113.3 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | -176.4 | 150.3 | 109.3 | 24.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1101 | T | 28.6 | Very low | 31.5 | Very low | 136 Ų | 136 | 112.3 Ų | 112.3 | 83% | 0.834 | 67% | 0.672 | S | S | * | * | trans | 64.8 | 127.8 | 173.1 | 60.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1102 | T | 25.5 | Very low | 32.8 | Very low | 121 Ų | 121 | 110.8 Ų | 110.8 | 74% | 0.742 | 66% | 0.658 | S | S | * | * | trans | -147 | 175.3 | -173.4 | 45.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1103 | T | 28.5 | Very low | 34.1 | Very low | 138 Ų | 138 | 105.7 Ų | 105.7 | 85% | 0.847 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 62.4 | 50 | 162.7 | 56.3 | 0 | 0 | 0 | 0 | 119.5 | ||
| 1104 | T | 29.7 | Very low | 35.8 | Very low | 94 Ų | 94 | 103.2 Ų | 103.2 | 58% | 0.577 | 61% | 0.608 | S | S | * | * | trans | -130.5 | -23.9 | 164.6 | 52 | 0 | 0 | 0 | 0 | 115.4 | A1106 | T1104-A1106 PolarHBondContact O-N 3.03Š| ||
| 1105 | N | 30.9 | Very low | 37.9 | Very low | 131 Ų | 131 | 102.5 Ų | 102.5 | 70% | 0.701 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.9 | -32.4 | -161 | -66.2 | -8.4 | 0 | 0 | 0 | 116.6 | H1108 S1109 | N1105-H1108 WeakPolarHBondContact O-CB 3.05Å; N1105-H1108 PolarHBondContact O-N 3.48Å; N1105-S1109 PolarHBondContact O-N 3.13Å; N1105-S1109 PolarHBondContact O-OG 3.4Å |
| 1106 | A | 31.9 | Very low | 40.3 | Very low | 77 Ų | 77 | 97.7 Ų | 97.7 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.8 | -40.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1104 H1108 S1109 M1110 | T1104-A1106 PolarHBondContact O-N 3.03Å; A1106-H1108 VanDerWaalsContact C-N 3.27Å; A1106-S1109 PolarHBondContact O-OG 3.34Å; A1106-S1109 VanDerWaalsContact O-OG 3.13Å; A1106-M1110 PolarHBondContact O-N 3.05Å |
| 1107 | N | 30.2 | Very low | 42.9 | Very low | 131 Ų | 131 | 93.7 Ų | 93.7 | 70% | 0.701 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.3 | -27.4 | 172.3 | -74.5 | -14 | 0 | 0 | 0 | 111.3 | N1111 | N1107-N1111 PolarHBondContact O-N 3.21Å |
| 1108 | H | 36.3 | Very low | 45.6 | Very low | 111 Ų | 111 | 88.1 Ų | 88.1 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.8 | -37 | -178 | -144.5 | -59.6 | 0 | 0 | 0 | 112.7 | N1105 A1106 Q1112 | N1105-H1108 WeakPolarHBondContact O-CB 3.05Å; N1105-H1108 PolarHBondContact O-N 3.48Å; A1106-H1108 VanDerWaalsContact C-N 3.27Å; H1108-Q1112 PolarHBondContact ND1-NE2 3.48Å; H1108-Q1112 WeakPolarHBondContact O-CB 3.31Å; H1108-Q1112 VanDerWaalsContact O-CG 3.24Å; H1108-Q1112 WeakPolarHBondContact O-CG 3.35Å; H1108-Q1112 PolarHBondContact O-N 2.84Å |
| 1109 | S | 41.4 | Very low | 48.1 | Very low | 49 Ų | 49 | 84.9 Ų | 84.9 | 34% | 0.343 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72 | -41.7 | 174.2 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | N1105 A1106 N1111 Q1112 I1113 | N1105-S1109 PolarHBondContact O-N 3.13Å; N1105-S1109 PolarHBondContact O-OG 3.4Å; A1106-S1109 PolarHBondContact O-OG 3.34Å; A1106-S1109 VanDerWaalsContact O-OG 3.13Å; S1109-N1111 VanDerWaalsContact C-N 3.34Å; S1109-N1111 PolarHBondContact O-N 3.37Å; S1109-Q1112 WeakPolarHBondContact O-CA 3.39Å; S1109-Q1112 WeakPolarHBondContact O-CB 3.47Å; S1109-Q1112 PolarHBondContact O-N 3.24Å; S1109-I1113 PolarHBondContact O-N 3.35Å |
| 1110 | M | 38.5 | Very low | 50.8 | Low | 76 Ų | 76 | 81.7 Ų | 81.7 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 179.3 | -153.9 | 69.1 | 170.8 | 0 | 0 | 112.1 | E1069 A1106 Q1112 I1113 N1114 | E1069-M1110 HydrophobicContact CG-CE 4.2Å; E1069-M1110 VanDerWaalsContact OE1-CE 3.29Å; E1069-M1110 WeakPolarHBondContact OE1-CE 3.2Å; A1106-M1110 PolarHBondContact O-N 3.05Å; M1110-Q1112 VanDerWaalsContact C-N 3.35Å; M1110-I1113 PolarHBondContact O-N 3.21Å; M1110-N1114 PolarHBondContact O-N 2.86Å; M1110-N1114 VanDerWaalsContact O-N 3.17Å; M1110-N1114 PolarHBondContact O-ND2 2.97Å |
| 1111 | N | 51.2 | Low | 53.5 | Low | 116 Ų | 116 | 83.5 Ų | 83.5 | 62% | 0.62 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.5 | -32.2 | 172.5 | -76.6 | -17.9 | 0 | 0 | 0 | 112.8 | N1107 S1109 K1115 | N1107-N1111 PolarHBondContact O-N 3.21Å; S1109-N1111 VanDerWaalsContact C-N 3.34Å; S1109-N1111 PolarHBondContact O-N 3.37Å; N1111-K1115 PolarHBondContact O-N 3.18Å |
| 1112 | Q | 57.7 | Low | 56.3 | Low | 76 Ų | 76 | 79 Ų | 79 | 36% | 0.355 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -72 | -24.6 | 175.8 | -80.4 | 176.2 | 3 | 0 | 0 | 114.2 | H1108 S1109 M1110 K1115 | H1108-Q1112 PolarHBondContact ND1-NE2 3.48Å; H1108-Q1112 WeakPolarHBondContact O-CB 3.31Å; H1108-Q1112 VanDerWaalsContact O-CG 3.24Å; H1108-Q1112 WeakPolarHBondContact O-CG 3.35Å; H1108-Q1112 PolarHBondContact O-N 2.84Å; S1109-Q1112 WeakPolarHBondContact O-CA 3.39Å; S1109-Q1112 WeakPolarHBondContact O-CB 3.47Å; S1109-Q1112 PolarHBondContact O-N 3.24Å; M1110-Q1112 VanDerWaalsContact C-N 3.35Å; Q1112-K1115 WeakPolarHBondContact O-CD 3.39Å; Q1112-K1115 VanDerWaalsContact O-CE 3.3Å; Q1112-K1115 WeakPolarHBondContact O-CE 3.27Å; Q1112-K1115 WeakPolarHBondContact O-CG 3.37Å |
| 1113 | I | 58.7 | Low | 59.2 | Low | 15 Ų | 15 | 74.1 Ų | 74.1 | 8% | 0.077 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -80.1 | -50.8 | 174.6 | -68.9 | 168.9 | 0 | 0 | 0 | 110.4 | L1072 L1076 F1078 S1109 M1110 K1115 W1116 | L1072-I1113 HydrophobicContact CB-CG2 3.79Å; L1072-I1113 HydrophobicContact CD2-CG2 3.83Å; L1072-I1113 HydrophobicContact CG-CG2 4.38Å; L1076-I1113 HydrophobicContact CD1-CG2 4.39Å; F1078-I1113 HydrophobicContact CB-CD1 4.24Å; F1078-I1113 HydrophobicContact CD2-CD1 3.97Å; F1078-I1113 HydrophobicContact CD2-CG1 3.58Å; F1078-I1113 HydrophobicContact CE2-CG1 3.9Å; F1078-I1113 HydrophobicContact CG-CD1 4.29Å; F1078-I1113 HydrophobicContact CG-CG1 4.33Å; S1109-I1113 PolarHBondContact O-N 3.35Å; M1110-I1113 PolarHBondContact O-N 3.21Å; I1113-K1115 VanDerWaalsContact C-N 3.26Å; I1113-K1115 PolarHBondContact O-N 3.41Å; I1113-W1116 PolarHBondContact O-N 3.31Å |
| 1114 | N | 64.5 | Low | 62.1 | Low | 65 Ų | 65 | 74.7 Ų | 74.7 | 35% | 0.348 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.1 | -26.2 | -174.6 | -76.9 | -33 | 0 | 0 | 0 | 114 | M1110 W1116 I1117 | M1110-N1114 PolarHBondContact O-N 2.86Å; M1110-N1114 VanDerWaalsContact O-N 3.17Å; M1110-N1114 PolarHBondContact O-ND2 2.97Å; N1114-W1116 PolarHBondContact O-N 3.31Å; N1114-I1117 PolarHBondContact O-N 3.08Å |
| 1115 | K | 73.1 | Confident | 64.8 | Low | 100 Ų | 100 | 74.4 Ų | 74.4 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.5 | 179 | 81 | -173.2 | -178.9 | 177.8 | 0 | 114.5 | N1111 Q1112 I1113 | N1111-K1115 PolarHBondContact O-N 3.18Å; Q1112-K1115 WeakPolarHBondContact O-CD 3.39Å; Q1112-K1115 VanDerWaalsContact O-CE 3.3Å; Q1112-K1115 WeakPolarHBondContact O-CE 3.27Å; Q1112-K1115 WeakPolarHBondContact O-CG 3.37Å; I1113-K1115 VanDerWaalsContact C-N 3.26Å; I1113-K1115 PolarHBondContact O-N 3.41Å |
| 1116 | W | 79.1 | Confident | 67.5 | Low | 14 Ų | 14 | 68.9 Ų | 68.9 | 5% | 0.053 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -10.2 | -175.7 | -66.6 | 127.7 | 0 | 0 | 0 | 113.8 | I1113 N1114 I1118 T1209 M1217 G1219 I1220 | I1113-W1116 PolarHBondContact O-N 3.31Å; N1114-W1116 PolarHBondContact O-N 3.31Å; W1116-I1118 PolarHBondContact O-N 3.47Å; W1116-T1209 HydrophobicContact CH2-CG2 3.77Å; W1116-T1209 HydrophobicContact CZ2-CG2 4.27Å; W1116-M1217 HydrophobicContact CD2-CE 3.59Å; W1116-M1217 HydrophobicContact CE3-CE 3.66Å; W1116-M1217 HydrophobicContact CG-CE 4.2Å; W1116-M1217 HydrophobicContact CH2-CE 3.85Å; W1116-M1217 HydrophobicContact CZ2-CE 3.79Å; W1116-M1217 HydrophobicContact CZ3-CE 3.79Å; W1116-M1217 HydrophobicContact CZ3-CG 4.49Å; W1116-G1219 CarbonylContact O-C 3.54Å; W1116-G1219 WeakPolarHBondContact O-CA 3.35Å; W1116-I1220 PolarHBondContact O-N 3.01Å |
| 1117 | I | 82.4 | Confident | 69.7 | Low | 32 Ų | 32 | 72.1 Ų | 72.1 | 16% | 0.164 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -84.3 | 116.4 | -171.8 | -54.8 | 175.5 | 0 | 0 | 0 | 110.1 | L1072 N1114 P1119 Y1147 F1222 | L1072-I1117 HydrophobicContact CD1-CD1 3.64Å; L1072-I1117 HydrophobicContact CD1-CG1 3.92Å; L1072-I1117 HydrophobicContact CD2-CD1 3.95Å; L1072-I1117 HydrophobicContact CD2-CG1 3.61Å; L1072-I1117 HydrophobicContact CG-CD1 4.47Å; L1072-I1117 HydrophobicContact CG-CG1 4.44Å; N1114-I1117 PolarHBondContact O-N 3.08Å; I1117-P1119 WeakPolarHBondContact O-CD 3.28Å; I1117-Y1147 PolarHBondContact O-OH 2.8Å; I1117-F1222 HydrophobicContact CG2-CD2 4.47Å |
| 1118 | I | 86 | Confident | 71.8 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | trans | -99.5 | 111.5 | 173.5 | -56.3 | -178.7 | 0 | 0 | 0 | 108.9 | W1116 S1120 I1123 L1143 Y1147 I1218 I1220 M1221 I1239 | W1116-I1118 PolarHBondContact O-N 3.47Å; I1118-S1120 PolarHBondContact O-N 3.17Å; I1118-I1123 HydrophobicContact CG2-CG2 4.21Å; I1118-L1143 HydrophobicContact CG2-CD1 3.88Å; I1118-Y1147 HydrophobicContact CB-CE1 4.48Å; I1118-Y1147 HydrophobicContact CD1-CE1 4.43Å; I1118-Y1147 HydrophobicContact CG1-CE1 3.89Å; I1118-Y1147 HydrophobicContact CG2-CE1 4.25Å; I1118-I1218 HydrophobicContact CD1-CG2 4.12Å; I1118-I1220 PolarHBondContact N-O 3.32Å; I1118-M1221 WeakPolarHBondContact O-CG 3.44Å; I1118-I1239 HydrophobicContact CD1-CB 3.96Å; I1118-I1239 HydrophobicContact CD1-CG1 4.01Å; I1118-I1239 HydrophobicContact CD1-CG2 4.07Å | ||
| 1119 | P | 82.3 | Confident | 73.9 | Confident | 49 Ų | 49 | 68.8 Ų | 68.8 | 32% | 0.318 | 35% | 0.35 | S | S | . | . | trans | -63.3 | 130.7 | 174.7 | -22.4 | 33.7 | 0 | 0 | 0 | 111.6 | I1117 K1121 F1122 Y1147 | I1117-P1119 WeakPolarHBondContact O-CD 3.28Å; P1119-K1121 HydrophobicContact CB-CG 4.03Å; P1119-K1121 PolarHBondContact O-N 2.91Å; P1119-F1122 HydrophobicContact CB-CD2 3.99Å; P1119-F1122 HydrophobicContact CB-CE2 4.44Å; P1119-F1122 HydrophobicContact CG-CD2 4.04Å; P1119-F1122 HydrophobicContact CG-CE2 4.25Å; P1119-F1122 PolarHBondContact O-N 3.28Å; P1119-Y1147 HydrophobicContact CG-CE2 4.47Å | ||
| 1120 | S | 82 | Confident | 75.7 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -54.5 | -28.2 | -177.5 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | I1118 F1122 I1123 | I1118-S1120 PolarHBondContact O-N 3.17Å; S1120-F1122 PolarHBondContact O-N 2.85Å; S1120-F1122 VanDerWaalsContact O-N 3.11Å; S1120-I1123 PolarHBondContact O-N 3.35Å; S1120-I1123 VanDerWaalsContact O-O 3.14Å |
| 1121 | K | 84.7 | Confident | 77.5 | Confident | 167 Ų | 167 | 68.5 Ų | 68.5 | 73% | 0.726 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -59.9 | -16.9 | 174.3 | 66.7 | 170.4 | -175.6 | 172 | 0 | 115.1 | P1119 | P1119-K1121 HydrophobicContact CB-CG 4.03Å; P1119-K1121 PolarHBondContact O-N 2.91Å |
| 1122 | F | 87.1 | Confident | 78.3 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 18% | 0.184 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -104.2 | -1.4 | -178.8 | -66.6 | -56.9 | 0 | 0 | 0 | 113.9 | P1119 S1120 H1144 S1146 Y1147 | P1119-F1122 HydrophobicContact CB-CD2 3.99Å; P1119-F1122 HydrophobicContact CB-CE2 4.44Å; P1119-F1122 HydrophobicContact CG-CD2 4.04Å; P1119-F1122 HydrophobicContact CG-CE2 4.25Å; P1119-F1122 PolarHBondContact O-N 3.28Å; S1120-F1122 PolarHBondContact O-N 2.85Å; S1120-F1122 VanDerWaalsContact O-N 3.11Å; F1122-H1144 PolarHBondContact O-N 3.12Å; F1122-S1146 WeakPolarHBondContact CE1-OG 3.32Å; F1122-Y1147 HydrophobicContact CB-CG 4.33Å; F1122-Y1147 AromaticContact CD2-CD2 3.45Å; F1122-Y1147 HydrophobicContact CD2-CD2 3.45Å; F1122-Y1147 VanDerWaalsContact CD2-CD2 3.45Å; F1122-Y1147 HydrophobicContact CD2-CE2 4.32Å; F1122-Y1147 HydrophobicContact CD2-CG 4.02Å; F1122-Y1147 AromaticContact CE2-CD2 3.75Å; F1122-Y1147 HydrophobicContact CE2-CD2 3.75Å; F1122-Y1147 HydrophobicContact CG-CD2 4.18Å; F1122-Y1147 HydrophobicContact CG-CG 4.3Å |
| 1123 | I | 88 | Confident | 78.6 | Confident | 18 Ų | 18 | 66.5 Ų | 66.5 | 9% | 0.092 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 129.1 | -176.1 | -174.5 | 170.6 | 0 | 0 | 0 | 112 | I1118 S1120 A1141 W1142 L1143 V1170 M1221 I1239 | I1118-I1123 HydrophobicContact CG2-CG2 4.21Å; S1120-I1123 PolarHBondContact O-N 3.35Å; S1120-I1123 VanDerWaalsContact O-O 3.14Å; I1123-A1141 HydrophobicContact CD1-CB 4.13Å; I1123-A1141 HydrophobicContact CG1-CB 4.07Å; I1123-W1142 CarbonylContact C-O 3.59Å; I1123-W1142 VanDerWaalsContact CA-O 3.28Å; I1123-W1142 WeakPolarHBondContact CA-O 3.45Å; I1123-L1143 HydrophobicContact CB-CD1 4.3Å; I1123-V1170 HydrophobicContact CD1-CG2 3.8Å; I1123-V1170 HydrophobicContact CG1-CG2 4.44Å; I1123-M1221 HydrophobicContact CG2-CG 4.04Å; I1123-M1221 HydrophobicContact CG2-SD 3.42Å; I1123-M1221 WeakPolarHBondContact CG2-SD 3.41Å; I1123-I1239 HydrophobicContact CD1-CD1 3.64Å; I1123-I1239 HydrophobicContact CD1-CG1 4.01Å; I1123-I1239 HydrophobicContact CD1-CG2 3.97Å |
| 1124 | K | 87.8 | Confident | 78.8 | Confident | 149 Ų | 149 | 70.8 Ų | 70.8 | 65% | 0.648 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125 | -178.9 | -174.7 | 177.7 | 179.3 | -177.1 | 0 | 109.9 | A1141 W1142 | K1124-A1141 CarbonylContact O-C 3.55Å; K1124-A1141 WeakPolarHBondContact O-CA 2.86Å; K1124-A1141 VanDerWaalsContact O-CB 3.31Å; K1124-A1141 WeakPolarHBondContact O-CB 3.39Å; K1124-W1142 HydrophobicContact CB-CB 4.49Å; K1124-W1142 HydrophobicContact CB-CE3 4.38Å; K1124-W1142 HydrophobicContact CG-CE3 4.31Å; K1124-W1142 PolarHBondContact N-O 3.21Å; K1124-W1142 PolarHBondContact O-N 3.2Å |
| 1125 | R | 87.5 | Confident | 78.8 | Confident | 89 Ų | 89 | 70.2 Ų | 70.2 | 34% | 0.336 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 144.3 | 178.3 | -168.6 | 178.6 | 62.5 | 84.5 | -22.5 | 111.3 | F1139 M1172 | R1125-F1139 HydrophobicContact CG-CB 3.85Å; R1125-F1139 HydrophobicContact CG-CG 4.12Å; R1125-M1172 HydrophobicContact CB-SD 3.96Å; R1125-M1172 HydrophobicContact CG-SD 3.76Å |
| 1126 | S | 86.6 | Confident | 78.8 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 10% | 0.098 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 150.7 | 166 | -170 | 0 | 0 | 0 | 0 | 111.6 | D1128 F1139 K1140 | S1126-D1128 VanDerWaalsContact C-N 3.27Å; S1126-D1128 PolarHBondContact OG-N 2.97Å; S1126-F1139 WeakPolarHBondContact O-CD1 3.39Å; S1126-K1140 WeakPolarHBondContact CA-O 3.27Å; S1126-K1140 WeakPolarHBondContact CB-O 3.47Å; S1126-K1140 PolarHBondContact N-O 3Å |
| 1127 | N | 78.9 | Confident | 78.9 | Confident | 146 Ų | 146 | 66.5 Ų | 66.5 | 78% | 0.781 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | -30.9 | 169.7 | -66.8 | -9.7 | 0 | 0 | 0 | 111.2 | ||
| 1128 | D | 73.6 | Confident | 79.2 | Confident | 122 Ų | 122 | 66.9 Ų | 66.9 | 65% | 0.652 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 124.8 | -179.7 | -62.2 | -50.8 | 0 | 0 | 0 | 112.1 | S1126 | S1126-D1128 VanDerWaalsContact C-N 3.27Å; S1126-D1128 PolarHBondContact OG-N 2.97Å |
| 1129 | S | 80.5 | Confident | 79.4 | Confident | 50 Ų | 50 | 68.3 Ų | 68.3 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 134.6 | 170.2 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | G1131 V1138 | S1129-G1131 VanDerWaalsContact C-N 3.27Å; S1129-G1131 VanDerWaalsContact OG-C 3.27Å; S1129-G1131 PolarHBondContact OG-N 2.74Å; S1129-G1131 VanDerWaalsContact OG-N 3.16Å; S1129-G1131 PolarHBondContact OG-O 2.74Å; S1129-V1138 CarbonylContact C-O 3.59Å; S1129-V1138 VanDerWaalsContact CA-O 3.3Å; S1129-V1138 WeakPolarHBondContact CA-O 3.36Å; S1129-V1138 PolarHBondContact OG-O 3.14Å |
| 1130 | L | 80.7 | Confident | 79.8 | Confident | 83 Ų | 83 | 68.2 Ų | 68.2 | 44% | 0.435 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | -23.5 | 169.6 | -67.7 | 172.7 | 0 | 0 | 0 | 111.8 | V1138 K1140 A1171 | L1130-V1138 HydrophobicContact CB-CG1 4.33Å; L1130-V1138 HydrophobicContact CD1-CG1 4.29Å; L1130-V1138 PolarHBondContact N-O 2.94Å; L1130-K1140 HydrophobicContact CD1-CB 4.2Å; L1130-K1140 HydrophobicContact CD2-CB 4.28Å; L1130-K1140 HydrophobicContact CG-CB 4.2Å; L1130-A1171 HydrophobicContact CD1-CB 4.34Å |
| 1131 | G | 74.4 | Confident | 80.3 | Confident | 36 Ų | 36 | 65.6 Ų | 65.6 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.1 | 141.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1129 V1138 | S1129-G1131 VanDerWaalsContact C-N 3.27Å; S1129-G1131 VanDerWaalsContact OG-C 3.27Å; S1129-G1131 PolarHBondContact OG-N 2.74Å; S1129-G1131 VanDerWaalsContact OG-N 3.16Å; S1129-G1131 PolarHBondContact OG-O 2.74Å; G1131-V1138 PolarHBondContact N-O 2.8Å; G1131-V1138 PolarHBondContact O-N 2.58Å |
| 1132 | S | 69.6 | Low | 80.6 | Confident | 99 Ų | 99 | 60.1 Ų | 60.1 | 69% | 0.692 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138.5 | 175.2 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | S1137 | S1132-S1137 VanDerWaalsContact CB-OG 3.29Å; S1132-S1137 WeakPolarHBondContact CB-OG 3.5Å |
| 1133 | G | 63.5 | Low | 80.8 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 52% | 0.515 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | -179.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1135 G1136 | G1133-Y1135 PolarHBondContact O-N 2.91Å; G1133-Y1135 VanDerWaalsContact O-N 3.1Å; G1133-G1136 PolarHBondContact N-O 3.16Å; G1133-G1136 PolarHBondContact O-N 2.88Å; G1133-G1136 VanDerWaalsContact O-O 3.12Å |
| 1134 | H | 61.9 | Low | 80.7 | Confident | 105 Ų | 105 | 60.8 Ų | 60.8 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -12.6 | -173.3 | -170.4 | 58.8 | 0 | 0 | 0 | 114.5 | Q1194 K1383 | H1134-Q1194 PolarHBondContact O-NE2 3.3Å; H1134-K1383 PolarHBondContact NE2-NZ 2.84Å |
| 1135 | Y | 65.3 | Low | 80.4 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 21% | 0.208 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -3.6 | -177 | -54.1 | -71.3 | 0 | 0 | 0 | 114.1 | G1133 C1197 K1383 | G1133-Y1135 PolarHBondContact O-N 2.91Å; G1133-Y1135 VanDerWaalsContact O-N 3.1Å; Y1135-C1197 HydrophobicContact CD1-CB 4.42Å; Y1135-K1383 PolarHBondContact OH-O 3.04Å |
| 1136 | G | 72.2 | Confident | 80.1 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.6 | -177.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G1133 I1174 | G1133-G1136 PolarHBondContact N-O 3.16Å; G1133-G1136 PolarHBondContact O-N 2.88Å; G1133-G1136 VanDerWaalsContact O-O 3.12Å; G1136-I1174 CarbonylContact C-O 3.55Å; G1136-I1174 WeakPolarHBondContact CA-O 3.43Å |
| 1137 | S | 82.1 | Confident | 79.7 | Confident | 29 Ų | 29 | 50.5 Ų | 50.5 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142 | 175 | -64 | 0 | 0 | 0 | 0 | 111.3 | S1132 I1174 | S1132-S1137 VanDerWaalsContact CB-OG 3.29Å; S1132-S1137 WeakPolarHBondContact CB-OG 3.5Å; S1137-I1174 PolarHBondContact N-O 3.23Å; S1137-I1174 PolarHBondContact O-N 3.47Å |
| 1138 | V | 88.8 | Confident | 79.3 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 24% | 0.236 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134.1 | 174.3 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | S1129 L1130 G1131 A1171 M1172 K1173 | S1129-V1138 CarbonylContact C-O 3.59Å; S1129-V1138 VanDerWaalsContact CA-O 3.3Å; S1129-V1138 WeakPolarHBondContact CA-O 3.36Å; S1129-V1138 PolarHBondContact OG-O 3.14Å; L1130-V1138 HydrophobicContact CB-CG1 4.33Å; L1130-V1138 HydrophobicContact CD1-CG1 4.29Å; L1130-V1138 PolarHBondContact N-O 2.94Å; G1131-V1138 PolarHBondContact N-O 2.8Å; G1131-V1138 PolarHBondContact O-N 2.58Å; V1138-A1171 HydrophobicContact CG1-CB 3.95Å; V1138-M1172 CarbonylContact C-O 3.53Å; V1138-M1172 WeakPolarHBondContact CA-O 3.44Å; V1138-K1173 HydrophobicContact CG2-CB 4.24Å; V1138-K1173 HydrophobicContact CG2-CG 4Å |
| 1139 | F | 90.1 | Very high | 78.9 | Confident | 31 Ų | 31 | 45 Ų | 45 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 151.6 | 176.6 | -66 | -92.2 | 0 | 0 | 0 | 110.7 | R1125 S1126 M1172 I1174 | R1125-F1139 HydrophobicContact CG-CB 3.85Å; R1125-F1139 HydrophobicContact CG-CG 4.12Å; S1126-F1139 WeakPolarHBondContact O-CD1 3.39Å; F1139-M1172 PolarHBondContact N-O 2.86Å; F1139-M1172 PolarHBondContact O-N 3.11Å; F1139-I1174 HydrophobicContact CD2-CD1 3.57Å; F1139-I1174 HydrophobicContact CD2-CG1 3.96Å; F1139-I1174 HydrophobicContact CE2-CD1 3.75Å; F1139-I1174 HydrophobicContact CE2-CG1 4.22Å |
| 1140 | K | 90.8 | Very high | 77.9 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 139.7 | 161.5 | -175.8 | -175 | 173.8 | -174.3 | 0 | 107.6 | S1126 L1130 W1142 E1163 I1169 | S1126-K1140 WeakPolarHBondContact CA-O 3.27Å; S1126-K1140 WeakPolarHBondContact CB-O 3.47Å; S1126-K1140 PolarHBondContact N-O 3Å; L1130-K1140 HydrophobicContact CD1-CB 4.2Å; L1130-K1140 HydrophobicContact CD2-CB 4.28Å; L1130-K1140 HydrophobicContact CG-CB 4.2Å; K1140-W1142 HydrophobicContact CD-CZ2 4.04Å; K1140-E1163 WeakPolarHBondContact CE-OE2 3.46Å; K1140-E1163 IonicContact NZ-OE1 2.73Å; K1140-E1163 PolarHBondContact NZ-OE1 2.87Å; K1140-E1163 IonicContact NZ-OE2 3.64Å; K1140-E1163 PolarHBondContact NZ-OE2 3.08Å; K1140-I1169 HydrophobicContact CD-CG2 4.17Å; K1140-I1169 HydrophobicContact CG-CG2 3.73Å |
| 1141 | A | 91.6 | Very high | 76.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 159.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111 | I1123 K1124 V1170 M1172 | I1123-A1141 HydrophobicContact CD1-CB 4.13Å; I1123-A1141 HydrophobicContact CG1-CB 4.07Å; K1124-A1141 CarbonylContact O-C 3.55Å; K1124-A1141 WeakPolarHBondContact O-CA 2.86Å; K1124-A1141 VanDerWaalsContact O-CB 3.31Å; K1124-A1141 WeakPolarHBondContact O-CB 3.39Å; A1141-V1170 HydrophobicContact CB-CG2 3.96Å; A1141-V1170 PolarHBondContact N-O 3.06Å; A1141-V1170 WeakPolarHBondContact O-CG2 3.48Å; A1141-V1170 PolarHBondContact O-N 2.85Å; A1141-M1172 HydrophobicContact CB-CB 4.05Å |
| 1142 | W | 91.8 | Very high | 76.1 | Confident | 53 Ų | 53 | 46.4 Ų | 46.4 | 20% | 0.201 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 118.7 | -178.4 | -63.5 | -83.3 | 0 | 0 | 0 | 109.7 | I1123 K1124 K1140 E1163 N1167 Y1168 | I1123-W1142 CarbonylContact C-O 3.59Å; I1123-W1142 VanDerWaalsContact CA-O 3.28Å; I1123-W1142 WeakPolarHBondContact CA-O 3.45Å; K1124-W1142 HydrophobicContact CB-CB 4.49Å; K1124-W1142 HydrophobicContact CB-CE3 4.38Å; K1124-W1142 HydrophobicContact CG-CE3 4.31Å; K1124-W1142 PolarHBondContact N-O 3.21Å; K1124-W1142 PolarHBondContact O-N 3.2Å; K1140-W1142 HydrophobicContact CD-CZ2 4.04Å; W1142-E1163 PolarHBondContact NE1-OE2 3.28Å; W1142-N1167 HydrophobicContact CB-CB 4.21Å; W1142-N1167 HydrophobicContact CG-CB 4.5Å; W1142-Y1168 CarbonylContact C-O 3.41Å; W1142-Y1168 WeakPolarHBondContact CA-O 3.3Å |
| 1143 | L | 90 | Very high | 75.2 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 123.7 | 174.5 | -177.3 | 64.4 | 0 | 0 | 0 | 109.4 | I1118 I1123 Y1147 I1148 Y1168 V1170 I1218 | I1118-L1143 HydrophobicContact CG2-CD1 3.88Å; I1123-L1143 HydrophobicContact CB-CD1 4.3Å; L1143-Y1147 HydrophobicContact CD1-CD1 3.86Å; L1143-Y1147 HydrophobicContact CD1-CG 4.41Å; L1143-Y1147 HydrophobicContact CD2-CD1 4.26Å; L1143-Y1147 HydrophobicContact CG-CD1 4.38Å; L1143-I1148 HydrophobicContact CD2-CD1 4.18Å; L1143-I1148 HydrophobicContact CD2-CG1 4.1Å; L1143-I1148 HydrophobicContact CG-CG1 4.48Å; L1143-Y1168 PolarHBondContact N-O 2.88Å; L1143-Y1168 PolarHBondContact O-N 3.12Å; L1143-V1170 HydrophobicContact CB-CG1 4.19Å; L1143-V1170 HydrophobicContact CB-CG2 4.1Å; L1143-V1170 HydrophobicContact CD2-CG1 4.33Å; L1143-I1218 HydrophobicContact CD2-CG2 4.11Å |
| 1144 | H | 88 | Confident | 74.7 | Confident | 73 Ų | 73 | 51.4 Ų | 51.4 | 34% | 0.338 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 138.2 | -174.5 | -169.2 | -107.7 | 0 | 0 | 0 | 112.6 | F1122 S1146 Y1147 D1166 | F1122-H1144 PolarHBondContact O-N 3.12Å; H1144-S1146 PolarHBondContact ND1-OG 2.9Å; H1144-S1146 PolarHBondContact O-N 3.3Å; H1144-S1146 VanDerWaalsContact O-N 3.13Å; H1144-Y1147 PolarHBondContact O-N 2.57Å; H1144-D1166 CarbonylContact C-O 3.57Å; H1144-D1166 WeakPolarHBondContact CA-O 3.23Å; H1144-D1166 PolarHBondContact CD2-O 2.91Å |
| 1145 | S | 80.6 | Confident | 74.8 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -26.2 | -169.3 | 76.6 | 0 | 0 | 0 | 0 | 113.9 | Y1147 I1148 K1149 D1166 | S1145-Y1147 VanDerWaalsContact C-N 3.34Å; S1145-Y1147 PolarHBondContact O-N 2.03Å; S1145-I1148 PolarHBondContact O-N 2.04Å; S1145-K1149 WeakPolarHBondContact O-CD 3.4Å; S1145-K1149 VanDerWaalsContact O-CG 3.28Å; S1145-K1149 WeakPolarHBondContact O-CG 3.41Å; S1145-K1149 PolarHBondContact O-N 2.85Å; S1145-K1149 PolarHBondContact OG-NZ 2.69Å; S1145-D1166 VanDerWaalsContact CB-O 3.3Å; S1145-D1166 WeakPolarHBondContact CB-O 3.47Å; S1145-D1166 PolarHBondContact N-O 2.85Å; S1145-D1166 PolarHBondContact OG-OD1 3.08Å |
| 1146 | S | 81.1 | Confident | 74.7 | Confident | 26 Ų | 26 | 50.9 Ų | 50.9 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 174 | 64.4 | 0 | 0 | 0 | 0 | 111.4 | F1122 H1144 I1148 K1149 D1150 | F1122-S1146 WeakPolarHBondContact CE1-OG 3.32Å; H1144-S1146 PolarHBondContact ND1-OG 2.9Å; H1144-S1146 PolarHBondContact O-N 3.3Å; H1144-S1146 VanDerWaalsContact O-N 3.13Å; S1146-I1148 VanDerWaalsContact C-N 3.25Å; S1146-I1148 PolarHBondContact O-N 3.39Å; S1146-K1149 PolarHBondContact O-N 2.92Å; S1146-K1149 VanDerWaalsContact O-N 3.13Å; S1146-D1150 WeakPolarHBondContact O-CB 3.44Å; S1146-D1150 PolarHBondContact O-N 2.9Å; S1146-D1150 VanDerWaalsContact O-OD2 3.12Å |
| 1147 | Y | 78 | Confident | 74.2 | Confident | 8 Ų | 8 | 53 Ų | 53 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.3 | -34.8 | -178.4 | -178.4 | -100.5 | 0 | 0 | 0 | 112.3 | I1117 I1118 P1119 F1122 L1143 H1144 S1145 T1151 L1152 | I1117-Y1147 PolarHBondContact O-OH 2.8Å; I1118-Y1147 HydrophobicContact CB-CE1 4.48Å; I1118-Y1147 HydrophobicContact CD1-CE1 4.43Å; I1118-Y1147 HydrophobicContact CG1-CE1 3.89Å; I1118-Y1147 HydrophobicContact CG2-CE1 4.25Å; P1119-Y1147 HydrophobicContact CG-CE2 4.47Å; F1122-Y1147 HydrophobicContact CB-CG 4.33Å; F1122-Y1147 AromaticContact CD2-CD2 3.45Å; F1122-Y1147 HydrophobicContact CD2-CD2 3.45Å; F1122-Y1147 VanDerWaalsContact CD2-CD2 3.45Å; F1122-Y1147 HydrophobicContact CD2-CE2 4.32Å; F1122-Y1147 HydrophobicContact CD2-CG 4.02Å; F1122-Y1147 AromaticContact CE2-CD2 3.75Å; F1122-Y1147 HydrophobicContact CE2-CD2 3.75Å; F1122-Y1147 HydrophobicContact CG-CD2 4.18Å; F1122-Y1147 HydrophobicContact CG-CG 4.3Å; L1143-Y1147 HydrophobicContact CD1-CD1 3.86Å; L1143-Y1147 HydrophobicContact CD1-CG 4.41Å; L1143-Y1147 HydrophobicContact CD2-CD1 4.26Å; L1143-Y1147 HydrophobicContact CG-CD1 4.38Å; H1144-Y1147 PolarHBondContact O-N 2.57Å; S1145-Y1147 VanDerWaalsContact C-N 3.34Å; S1145-Y1147 PolarHBondContact O-N 2.03Å; Y1147-T1151 WeakPolarHBondContact CD2-OG1 3.26Å; Y1147-T1151 HydrophobicContact CE2-CG2 4.16Å; Y1147-T1151 WeakPolarHBondContact CE2-OG1 3.42Å; Y1147-T1151 VanDerWaalsContact O-CB 3.23Å; Y1147-T1151 WeakPolarHBondContact O-CB 3.32Å; Y1147-T1151 PolarHBondContact O-N 2.75Å; Y1147-T1151 PolarHBondContact O-OG1 2.97Å; Y1147-L1152 HydrophobicContact CD1-CD1 4.11Å; Y1147-L1152 HydrophobicContact CE1-CD1 3.83Å; Y1147-L1152 HydrophobicContact CE1-CG 4.25Å |
| 1148 | I | 70.3 | Confident | 73.4 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.036 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71 | -45.8 | 175.7 | -55.1 | -174.7 | 0 | 0 | 0 | 110.6 | L1143 S1145 S1146 D1150 L1152 L1160 Y1168 | L1143-I1148 HydrophobicContact CD2-CD1 4.18Å; L1143-I1148 HydrophobicContact CD2-CG1 4.1Å; L1143-I1148 HydrophobicContact CG-CG1 4.48Å; S1145-I1148 PolarHBondContact O-N 2.04Å; S1146-I1148 VanDerWaalsContact C-N 3.25Å; S1146-I1148 PolarHBondContact O-N 3.39Å; I1148-D1150 VanDerWaalsContact C-N 3.3Å; I1148-D1150 PolarHBondContact O-N 3.01Å; I1148-L1152 HydrophobicContact CG1-CD1 4.34Å; I1148-L1152 HydrophobicContact CG2-CB 4.22Å; I1148-L1152 CarbonylContact O-C 3.5Å; I1148-L1152 PolarHBondContact O-N 2.88Å; I1148-L1160 HydrophobicContact CD1-CD1 3.7Å; I1148-Y1168 HydrophobicContact CD1-CD1 4.08Å; I1148-Y1168 HydrophobicContact CD1-CD2 3.49Å; I1148-Y1168 VanDerWaalsContact CD1-CD2 3.49Å; I1148-Y1168 HydrophobicContact CD1-CE1 4.29Å; I1148-Y1168 HydrophobicContact CD1-CE2 3.77Å; I1148-Y1168 HydrophobicContact CD1-CG 3.64Å |
| 1149 | K | 66 | Low | 72.3 | Confident | 147 Ų | 147 | 57.8 Ų | 57.8 | 64% | 0.639 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.4 | -40.3 | 176.2 | -69.3 | 161 | -177.3 | 159.6 | 0 | 112.3 | S1145 S1146 | S1145-K1149 WeakPolarHBondContact O-CD 3.4Å; S1145-K1149 VanDerWaalsContact O-CG 3.28Å; S1145-K1149 WeakPolarHBondContact O-CG 3.41Å; S1145-K1149 PolarHBondContact O-N 2.85Å; S1145-K1149 PolarHBondContact OG-NZ 2.69Å; S1146-K1149 PolarHBondContact O-N 2.92Å; S1146-K1149 VanDerWaalsContact O-N 3.13Å |
| 1150 | D | 59.9 | Low | 71.6 | Confident | 107 Ų | 107 | 56.6 Ų | 56.6 | 57% | 0.572 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -88 | -25.5 | -171.7 | -58.4 | -23.4 | 0 | 0 | 0 | 113.5 | S1146 I1148 | S1146-D1150 WeakPolarHBondContact O-CB 3.44Å; S1146-D1150 PolarHBondContact O-N 2.9Å; S1146-D1150 VanDerWaalsContact O-OD2 3.12Å; I1148-D1150 VanDerWaalsContact C-N 3.3Å; I1148-D1150 PolarHBondContact O-N 3.01Å |
| 1151 | T | 58.3 | Low | 71 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 45% | 0.454 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -131.4 | -22.3 | -164.7 | -17.5 | 0 | 0 | 0 | 0 | 115.3 | Y1147 | Y1147-T1151 WeakPolarHBondContact CD2-OG1 3.26Å; Y1147-T1151 HydrophobicContact CE2-CG2 4.16Å; Y1147-T1151 WeakPolarHBondContact CE2-OG1 3.42Å; Y1147-T1151 VanDerWaalsContact O-CB 3.23Å; Y1147-T1151 WeakPolarHBondContact O-CB 3.32Å; Y1147-T1151 PolarHBondContact O-N 2.75Å; Y1147-T1151 PolarHBondContact O-OG1 2.97Å |
| 1152 | L | 58.3 | Low | 70.4 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 9% | 0.089 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -124.4 | 72.9 | -169 | -64.7 | 173.8 | 0 | 0 | 0 | 111.5 | Y1147 I1148 N1154 F1156 I1218 | Y1147-L1152 HydrophobicContact CD1-CD1 4.11Å; Y1147-L1152 HydrophobicContact CE1-CD1 3.83Å; Y1147-L1152 HydrophobicContact CE1-CG 4.25Å; I1148-L1152 HydrophobicContact CG1-CD1 4.34Å; I1148-L1152 HydrophobicContact CG2-CB 4.22Å; I1148-L1152 CarbonylContact O-C 3.5Å; I1148-L1152 PolarHBondContact O-N 2.88Å; L1152-N1154 VanDerWaalsContact C-N 3.34Å; L1152-N1154 PolarHBondContact O-N 2.81Å; L1152-F1156 HydrophobicContact CB-CD2 4.25Å; L1152-F1156 HydrophobicContact CD1-CD2 4.31Å; L1152-F1156 HydrophobicContact CD2-CD2 4.19Å; L1152-F1156 HydrophobicContact CD2-CE2 4.02Å; L1152-F1156 HydrophobicContact CG-CD2 4.5Å; L1152-I1218 HydrophobicContact CD1-CG2 4.42Å |
| 1153 | N | 50.4 | Low | 69.8 | Low | 149 Ų | 149 | 63.3 Ų | 63.3 | 80% | 0.797 | 32% | 0.319 | S | S | * | . | trans | -38.6 | 78.6 | -177.5 | -91.1 | -17.6 | 0 | 0 | 0 | 115.7 | Q1155 | N1153-Q1155 PolarHBondContact O-N 3.14Š| ||
| 1154 | N | 53.7 | Low | 69.4 | Low | 105 Ų | 105 | 66.7 Ų | 66.7 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 52.4 | -14.5 | -176.5 | -65.3 | -43.9 | 0 | 0 | 0 | 118 | L1152 F1156 N1157 | L1152-N1154 VanDerWaalsContact C-N 3.34Å; L1152-N1154 PolarHBondContact O-N 2.81Å; N1154-F1156 PolarHBondContact O-N 2.71Å; N1154-N1157 PolarHBondContact O-N 2.89Å; N1154-N1157 PolarHBondContact OD1-ND2 2.97Å; N1154-N1157 VanDerWaalsContact OD1-ND2 3.1Å |
| 1155 | Q | 62.6 | Low | 68.6 | Low | 127 Ų | 127 | 68.2 Ų | 68.2 | 59% | 0.593 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.7 | -164.7 | -170.6 | 173.4 | 5.4 | 0 | 0 | 115.2 | N1153 I1159 | N1153-Q1155 PolarHBondContact O-N 3.14Å; Q1155-I1159 WeakPolarHBondContact O-CD1 3.24Å |
| 1156 | F | 64.5 | Low | 68.6 | Low | 19 Ų | 19 | 71.1 Ų | 71.1 | 8% | 0.083 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | 1 | -178.2 | -63.8 | -85.8 | 0 | 0 | 0 | 114.5 | L1152 N1154 D1158 I1159 L1160 I1218 | L1152-F1156 HydrophobicContact CB-CD2 4.25Å; L1152-F1156 HydrophobicContact CD1-CD2 4.31Å; L1152-F1156 HydrophobicContact CD2-CD2 4.19Å; L1152-F1156 HydrophobicContact CD2-CE2 4.02Å; L1152-F1156 HydrophobicContact CG-CD2 4.5Å; N1154-F1156 PolarHBondContact O-N 2.71Å; F1156-D1158 PolarHBondContact O-N 3.49Å; F1156-I1159 HydrophobicContact CD1-CD1 4.4Å; F1156-I1159 PolarHBondContact O-N 2.73Å; F1156-L1160 HydrophobicContact CB-CD1 3.81Å; F1156-L1160 HydrophobicContact CB-CG 4.13Å; F1156-L1160 WeakPolarHBondContact O-CB 3.46Å; F1156-L1160 PolarHBondContact O-N 2.84Å; F1156-I1218 HydrophobicContact CD1-CD1 3.44Å; F1156-I1218 VanDerWaalsContact CD1-CD1 3.44Å; F1156-I1218 HydrophobicContact CE1-CD1 3.65Å; F1156-I1218 HydrophobicContact CG-CD1 4.33Å |
| 1157 | N | 62.3 | Low | 68.8 | Low | 53 Ų | 53 | 71.8 Ų | 71.8 | 28% | 0.283 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -39 | -177.2 | -80.8 | -33 | 0 | 0 | 0 | 113 | N1154 I1159 Y1168 | N1154-N1157 PolarHBondContact O-N 2.89Å; N1154-N1157 PolarHBondContact OD1-ND2 2.97Å; N1154-N1157 VanDerWaalsContact OD1-ND2 3.1Å; N1157-I1159 PolarHBondContact O-N 2.91Å; N1157-Y1168 PolarHBondContact OD1-OH 2.87Å |
| 1158 | D | 64.1 | Low | 69.2 | Low | 147 Ų | 147 | 72.7 Ų | 72.7 | 79% | 0.786 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 0.2 | -178.6 | -51.6 | -23.5 | 0 | 0 | 0 | 112.7 | F1156 | F1156-D1158 PolarHBondContact O-N 3.49Š|
| 1159 | I | 66.9 | Low | 70.2 | Confident | 22 Ų | 22 | 73.4 Ų | 73.4 | 11% | 0.113 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -40.3 | -169.7 | -62.9 | 166 | 0 | 0 | 0 | 110.5 | Q1155 F1156 N1157 R1216 E1241 H1332 | Q1155-I1159 WeakPolarHBondContact O-CD1 3.24Å; F1156-I1159 HydrophobicContact CD1-CD1 4.4Å; F1156-I1159 PolarHBondContact O-N 2.73Å; N1157-I1159 PolarHBondContact O-N 2.91Å; I1159-R1216 VanDerWaalsContact CD1-NH1 3.34Å; I1159-E1241 HydrophobicContact CG2-CB 3.98Å; I1159-E1241 WeakPolarHBondContact CG2-OE2 3.5Å; I1159-H1332 PolarHBondContact O-CE1 2.89Å |
| 1160 | L | 74.7 | Confident | 71.4 | Confident | 6 Ų | 6 | 66.4 Ų | 66.4 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -86.2 | 121.1 | -177.8 | -67.6 | 176.2 | 0 | 0 | 0 | 111.3 | I1148 F1156 K1162 Y1168 V1170 I1218 E1241 | I1148-L1160 HydrophobicContact CD1-CD1 3.7Å; F1156-L1160 HydrophobicContact CB-CD1 3.81Å; F1156-L1160 HydrophobicContact CB-CG 4.13Å; F1156-L1160 WeakPolarHBondContact O-CB 3.46Å; F1156-L1160 PolarHBondContact O-N 2.84Å; L1160-K1162 PolarHBondContact O-N 2.78Å; L1160-Y1168 HydrophobicContact CB-CD1 3.63Å; L1160-Y1168 HydrophobicContact CB-CE1 4.42Å; L1160-Y1168 HydrophobicContact CB-CG 4.33Å; L1160-V1170 HydrophobicContact CD2-CG1 3.66Å; L1160-I1218 HydrophobicContact CD2-CD1 3.78Å; L1160-I1218 HydrophobicContact CD2-CG1 4.13Å; L1160-I1218 HydrophobicContact CG-CD1 4.36Å; L1160-E1241 HydrophobicContact CD2-CB 4.47Å |
| 1161 | L | 78.1 | Confident | 72.9 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 19% | 0.188 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 124.6 | 171 | -81 | 166.4 | 0 | 0 | 0 | 110.2 | Y1168 I1169 K1244 H1332 | L1161-Y1168 CarbonylContact O-C 3.6Å; L1161-Y1168 WeakPolarHBondContact O-CA 3.34Å; L1161-I1169 HydrophobicContact CB-CB 4.07Å; L1161-I1169 HydrophobicContact CB-CD1 4.03Å; L1161-I1169 HydrophobicContact CB-CG1 4.08Å; L1161-I1169 PolarHBondContact O-N 3.06Å; L1161-K1244 HydrophobicContact CD1-CB 4.05Å; L1161-H1332 HydrophobicContact CD1-CB 4.21Å; L1161-H1332 HydrophobicContact CD2-CB 3.63Å; L1161-H1332 HydrophobicContact CG-CB 4.12Å |
| 1162 | K | 79.1 | Confident | 74.6 | Confident | 113 Ų | 113 | 58.6 Ų | 58.6 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 133.9 | 171.8 | -172.4 | 162.8 | -177.4 | 166.8 | 0 | 109.7 | L1160 D1164 T1165 Y1168 | L1160-K1162 PolarHBondContact O-N 2.78Å; K1162-D1164 WeakPolarHBondContact CE-O 3.49Å; K1162-D1164 WeakPolarHBondContact CG-O 3.5Å; K1162-T1165 WeakPolarHBondContact CE-O 3.34Å; K1162-T1165 PolarHBondContact NZ-O 3.34Å; K1162-Y1168 HydrophobicContact CB-CD1 4.22Å; K1162-Y1168 HydrophobicContact CB-CE1 4.22Å; K1162-Y1168 HydrophobicContact CD-CE1 4.4Å |
| 1163 | E | 78.4 | Confident | 76.1 | Confident | 91 Ų | 91 | 59 Ų | 59 | 43% | 0.425 | 30% | 0.304 | S | S | . | . | trans | -106.2 | -39.3 | -177.6 | -169.7 | 160.2 | 176.7 | 0 | 0 | 112.9 | K1140 W1142 N1167 I1169 | K1140-E1163 WeakPolarHBondContact CE-OE2 3.46Å; K1140-E1163 IonicContact NZ-OE1 2.73Å; K1140-E1163 PolarHBondContact NZ-OE1 2.87Å; K1140-E1163 IonicContact NZ-OE2 3.64Å; K1140-E1163 PolarHBondContact NZ-OE2 3.08Å; W1142-E1163 PolarHBondContact NE1-OE2 3.28Å; E1163-N1167 PolarHBondContact N-O 3.23Å; E1163-I1169 HydrophobicContact CB-CD1 4.05Å; E1163-I1169 HydrophobicContact CB-CG1 3.89Å; E1163-I1169 HydrophobicContact CG-CD1 4.36Å; E1163-I1169 VanDerWaalsContact OE2-CD1 3.27Å; E1163-I1169 WeakPolarHBondContact OE2-CD1 3.31Å; E1163-I1169 VanDerWaalsContact OE2-CG1 3.27Å; E1163-I1169 WeakPolarHBondContact OE2-CG1 3.36Å | ||
| 1164 | D | 82.2 | Confident | 77.7 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 38% | 0.38 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -139.7 | -169.3 | 174.1 | 61.5 | 44.9 | 0 | 0 | 0 | 109.6 | K1162 D1166 N1167 | K1162-D1164 WeakPolarHBondContact CE-O 3.49Å; K1162-D1164 WeakPolarHBondContact CG-O 3.5Å; D1164-D1166 PolarHBondContact O-N 3.04Å; D1164-D1166 VanDerWaalsContact O-N 3.17Å; D1164-D1166 WeakPolarHBondContact OD1-CA 3.39Å; D1164-D1166 PolarHBondContact OD1-N 3.29Å; D1164-N1167 WeakPolarHBondContact OD1-CB 3.14Å; D1164-N1167 PolarHBondContact OD1-N 2.91Å; D1164-N1167 PolarHBondContact OD1-ND2 3.01Å; D1164-N1167 VanDerWaalsContact OD1-ND2 3.11Å; D1164-N1167 PolarHBondContact OD2-ND2 3.47Å |
| 1165 | T | 71.7 | Confident | 78.5 | Confident | 105 Ų | 105 | 49.2 Ų | 49.2 | 64% | 0.644 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -57.1 | -28.7 | 179.4 | 40.4 | 0 | 0 | 0 | 0 | 114.2 | K1162 | K1162-T1165 WeakPolarHBondContact CE-O 3.34Å; K1162-T1165 PolarHBondContact NZ-O 3.34Å |
| 1166 | D | 80.5 | Confident | 78.2 | Confident | 63 Ų | 63 | 45.9 Ų | 45.9 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -129 | -6.6 | -160.4 | -66.4 | -67.5 | 0 | 0 | 0 | 114.7 | H1144 S1145 D1164 | H1144-D1166 CarbonylContact C-O 3.57Å; H1144-D1166 WeakPolarHBondContact CA-O 3.23Å; H1144-D1166 PolarHBondContact CD2-O 2.91Å; S1145-D1166 VanDerWaalsContact CB-O 3.3Å; S1145-D1166 WeakPolarHBondContact CB-O 3.47Å; S1145-D1166 PolarHBondContact N-O 2.85Å; S1145-D1166 PolarHBondContact OG-OD1 3.08Å; D1164-D1166 PolarHBondContact O-N 3.04Å; D1164-D1166 VanDerWaalsContact O-N 3.17Å; D1164-D1166 WeakPolarHBondContact OD1-CA 3.39Å; D1164-D1166 PolarHBondContact OD1-N 3.29Å |
| 1167 | N | 84.4 | Confident | 77.6 | Confident | 40 Ų | 40 | 48.2 Ų | 48.2 | 21% | 0.214 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 136.6 | -177.5 | -62.7 | -67.8 | 0 | 0 | 0 | 113.5 | W1142 E1163 D1164 | W1142-N1167 HydrophobicContact CB-CB 4.21Å; W1142-N1167 HydrophobicContact CG-CB 4.5Å; E1163-N1167 PolarHBondContact N-O 3.23Å; D1164-N1167 WeakPolarHBondContact OD1-CB 3.14Å; D1164-N1167 PolarHBondContact OD1-N 2.91Å; D1164-N1167 PolarHBondContact OD1-ND2 3.01Å; D1164-N1167 VanDerWaalsContact OD1-ND2 3.11Å; D1164-N1167 PolarHBondContact OD2-ND2 3.47Å |
| 1168 | Y | 87.7 | Confident | 76.4 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 11% | 0.106 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 139.5 | 174 | -70.1 | -103 | 0 | 0 | 0 | 110.9 | W1142 L1143 I1148 N1157 L1160 L1161 K1162 | W1142-Y1168 CarbonylContact C-O 3.41Å; W1142-Y1168 WeakPolarHBondContact CA-O 3.3Å; L1143-Y1168 PolarHBondContact N-O 2.88Å; L1143-Y1168 PolarHBondContact O-N 3.12Å; I1148-Y1168 HydrophobicContact CD1-CD1 4.08Å; I1148-Y1168 HydrophobicContact CD1-CD2 3.49Å; I1148-Y1168 VanDerWaalsContact CD1-CD2 3.49Å; I1148-Y1168 HydrophobicContact CD1-CE1 4.29Å; I1148-Y1168 HydrophobicContact CD1-CE2 3.77Å; I1148-Y1168 HydrophobicContact CD1-CG 3.64Å; N1157-Y1168 PolarHBondContact OD1-OH 2.87Å; L1160-Y1168 HydrophobicContact CB-CD1 3.63Å; L1160-Y1168 HydrophobicContact CB-CE1 4.42Å; L1160-Y1168 HydrophobicContact CB-CG 4.33Å; L1161-Y1168 CarbonylContact O-C 3.6Å; L1161-Y1168 WeakPolarHBondContact O-CA 3.34Å; K1162-Y1168 HydrophobicContact CB-CD1 4.22Å; K1162-Y1168 HydrophobicContact CB-CE1 4.22Å; K1162-Y1168 HydrophobicContact CD-CE1 4.4Å |
| 1169 | I | 89.8 | Confident | 74.8 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 11% | 0.113 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 120.9 | -178 | -42.4 | -179.4 | 0 | 0 | 0 | 110.4 | K1140 L1161 E1163 C1242 | K1140-I1169 HydrophobicContact CD-CG2 4.17Å; K1140-I1169 HydrophobicContact CG-CG2 3.73Å; L1161-I1169 HydrophobicContact CB-CB 4.07Å; L1161-I1169 HydrophobicContact CB-CD1 4.03Å; L1161-I1169 HydrophobicContact CB-CG1 4.08Å; L1161-I1169 PolarHBondContact O-N 3.06Å; E1163-I1169 HydrophobicContact CB-CD1 4.05Å; E1163-I1169 HydrophobicContact CB-CG1 3.89Å; E1163-I1169 HydrophobicContact CG-CD1 4.36Å; E1163-I1169 VanDerWaalsContact OE2-CD1 3.27Å; E1163-I1169 WeakPolarHBondContact OE2-CD1 3.31Å; E1163-I1169 VanDerWaalsContact OE2-CG1 3.27Å; E1163-I1169 WeakPolarHBondContact OE2-CG1 3.36Å; I1169-C1242 HydrophobicContact CB-CB 4.15Å; I1169-C1242 HydrophobicContact CG2-CB 3.74Å; I1169-C1242 VanDerWaalsContact CG2-SG 3.6Å; I1169-C1242 WeakPolarHBondContact O-CB 3.45Å |
| 1170 | V | 91.9 | Very high | 73 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 159.3 | 172.9 | -70.9 | 0 | 0 | 0 | 0 | 110.4 | I1123 A1141 L1143 L1160 I1218 I1239 L1240 | I1123-V1170 HydrophobicContact CD1-CG2 3.8Å; I1123-V1170 HydrophobicContact CG1-CG2 4.44Å; A1141-V1170 HydrophobicContact CB-CG2 3.96Å; A1141-V1170 PolarHBondContact N-O 3.06Å; A1141-V1170 WeakPolarHBondContact O-CG2 3.48Å; A1141-V1170 PolarHBondContact O-N 2.85Å; L1143-V1170 HydrophobicContact CB-CG1 4.19Å; L1143-V1170 HydrophobicContact CB-CG2 4.1Å; L1143-V1170 HydrophobicContact CD2-CG1 4.33Å; L1160-V1170 HydrophobicContact CD2-CG1 3.66Å; V1170-I1218 HydrophobicContact CG1-CG1 4.26Å; V1170-I1239 HydrophobicContact CB-CG2 3.75Å; V1170-I1239 HydrophobicContact CG1-CG2 4.11Å; V1170-I1239 HydrophobicContact CG2-CG2 3.82Å; V1170-L1240 WeakPolarHBondContact CA-O 3.23Å; V1170-L1240 WeakPolarHBondContact CB-O 3.48Å |
| 1171 | A | 92.5 | Very high | 70.8 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 8% | 0.083 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 130.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L1130 V1138 I1239 L1240 | L1130-A1171 HydrophobicContact CD1-CB 4.34Å; V1138-A1171 HydrophobicContact CG1-CB 3.95Å; A1171-I1239 WeakPolarHBondContact O-CA 3.4Å; A1171-L1240 HydrophobicContact CB-CB 4.33Å; A1171-L1240 PolarHBondContact N-O 3.01Å; A1171-L1240 PolarHBondContact O-N 3.13Å |
| 1172 | M | 92 | Very high | 68.4 | Low | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.039 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 110.3 | -176.6 | 177.5 | 179.5 | -178.4 | 0 | 0 | 109.6 | R1125 V1138 F1139 A1141 I1174 M1221 N1237 I1239 | R1125-M1172 HydrophobicContact CB-SD 3.96Å; R1125-M1172 HydrophobicContact CG-SD 3.76Å; V1138-M1172 CarbonylContact C-O 3.53Å; V1138-M1172 WeakPolarHBondContact CA-O 3.44Å; F1139-M1172 PolarHBondContact N-O 2.86Å; F1139-M1172 PolarHBondContact O-N 3.11Å; A1141-M1172 HydrophobicContact CB-CB 4.05Å; M1172-I1174 HydrophobicContact CE-CD1 3.76Å; M1172-I1174 HydrophobicContact CE-CG1 4.25Å; M1172-I1174 HydrophobicContact CG-CD1 4.18Å; M1172-I1174 HydrophobicContact CG-CG1 4.04Å; M1172-I1174 HydrophobicContact SD-CD1 4.16Å; M1172-M1221 HydrophobicContact CE-CE 3.57Å; M1172-M1221 HydrophobicContact CE-SD 4.38Å; M1172-N1237 HydrophobicContact CE-CB 3.68Å; M1172-N1237 VanDerWaalsContact CE-CG 3.44Å; M1172-N1237 WeakPolarHBondContact CE-OD1 3.3Å; M1172-N1237 HydrophobicContact CG-CB 4.47Å; M1172-I1239 HydrophobicContact CB-CD1 4.01Å; M1172-I1239 HydrophobicContact CG-CD1 3.73Å |
| 1173 | K | 90.4 | Very high | 66 | Low | 25 Ų | 25 | 69.3 Ų | 69.3 | 11% | 0.109 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.6 | 179.2 | -167 | 177.8 | -164.5 | -172.8 | 0 | 110.2 | V1138 E1201 L1238 D1340 | V1138-K1173 HydrophobicContact CG2-CB 4.24Å; V1138-K1173 HydrophobicContact CG2-CG 4Å; K1173-E1201 WeakPolarHBondContact CD-OE2 3.24Å; K1173-E1201 WeakPolarHBondContact CE-OE2 3.3Å; K1173-E1201 IonicContact NZ-OE1 3.72Å; K1173-E1201 PolarHBondContact NZ-OE1 3.19Å; K1173-E1201 IonicContact NZ-OE2 2.67Å; K1173-E1201 PolarHBondContact NZ-OE2 2.86Å; K1173-L1238 HydrophobicContact CB-CB 4.32Å; K1173-L1238 HydrophobicContact CD-CD2 4.44Å; K1173-L1238 PolarHBondContact N-O 2.98Å; K1173-L1238 PolarHBondContact O-N 3.09Å; K1173-D1340 IonicContact NZ-OD1 2.97Å; K1173-D1340 PolarHBondContact NZ-OD1 3.31Å |
| 1174 | I | 84.1 | Confident | 63.8 | Low | 32 Ų | 32 | 72.3 Ų | 72.3 | 16% | 0.164 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.1 | -171.3 | -46.3 | -167 | 0 | 0 | 0 | 108.8 | G1136 S1137 F1139 M1172 N1237 | G1136-I1174 CarbonylContact C-O 3.55Å; G1136-I1174 WeakPolarHBondContact CA-O 3.43Å; S1137-I1174 PolarHBondContact N-O 3.23Å; S1137-I1174 PolarHBondContact O-N 3.47Å; F1139-I1174 HydrophobicContact CD2-CD1 3.57Å; F1139-I1174 HydrophobicContact CD2-CG1 3.96Å; F1139-I1174 HydrophobicContact CE2-CD1 3.75Å; F1139-I1174 HydrophobicContact CE2-CG1 4.22Å; M1172-I1174 HydrophobicContact CE-CD1 3.76Å; M1172-I1174 HydrophobicContact CE-CG1 4.25Å; M1172-I1174 HydrophobicContact CG-CD1 4.18Å; M1172-I1174 HydrophobicContact CG-CG1 4.04Å; M1172-I1174 HydrophobicContact SD-CD1 4.16Å; I1174-N1237 VanDerWaalsContact CG1-OD1 3.25Å; I1174-N1237 WeakPolarHBondContact CG1-OD1 3.41Å; I1174-N1237 WeakPolarHBondContact CG2-OD1 3.24Å |
| 1175 | S | 69.7 | Low | 61.3 | Low | 16 Ų | 16 | 76.3 Ų | 76.3 | 11% | 0.112 | 43% | 0.427 | C | S | . | . | trans | -66.4 | 138.7 | 172.3 | -172.9 | 0 | 0 | 0 | 0 | 110.6 | I1177 | S1175-I1177 VanDerWaalsContact C-N 3.28Å; S1175-I1177 PolarHBondContact O-N 2.98Å | ||
| 1176 | S | 56.8 | Low | 59.3 | Low | 57 Ų | 57 | 77.7 Ų | 77.7 | 40% | 0.399 | 43% | 0.43 | S | S | . | . | trans | -78.4 | 68.6 | -172.3 | 50.1 | 0 | 0 | 0 | 0 | 113.5 | Q1194 | S1176-Q1194 PolarHBondContact OG-NE2 3.47Å; S1176-Q1194 PolarHBondContact OG-OE1 3.19Å | ||
| 1177 | I | 51.7 | Low | 57 | Low | 69 Ų | 69 | 80.8 Ų | 80.8 | 35% | 0.354 | 45% | 0.447 | S | S | . | . | trans | -116.5 | 104.4 | -177.1 | -60.6 | 178.5 | 0 | 0 | 0 | 110 | S1175 L1195 | S1175-I1177 VanDerWaalsContact C-N 3.28Å; S1175-I1177 PolarHBondContact O-N 2.98Å; I1177-L1195 HydrophobicContact CD1-CD1 4.22Å | ||
| 1178 | V | 38.4 | Very low | 54.6 | Low | 114 Ų | 114 | 83.7 Ų | 83.7 | 69% | 0.691 | 47% | 0.47 | S | S | * | . | trans | 66.5 | 83.2 | 165.4 | -168.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1179 | E | 30.3 | Very low | 52.2 | Low | 172 Ų | 172 | 88.7 Ų | 88.7 | 80% | 0.804 | 50% | 0.499 | S | S | * | . | trans | -134.8 | 70.5 | 145 | -81.1 | -166.6 | 172.7 | 0 | 0 | 109.9 | ||||
| 1180 | N | 29 | Very low | 49.7 | Very low | 154 Ų | 154 | 91.1 Ų | 91.1 | 82% | 0.824 | 51% | 0.512 | S | S | * | . | trans | -171.5 | 87.9 | 162.4 | -104.4 | -37.9 | 0 | 0 | 0 | 111.2 | T1182 | N1180-T1182 PolarHBondContact O-N 3.19Š| ||
| 1181 | T | 27.8 | Very low | 47.6 | Very low | 133 Ų | 133 | 95.7 Ų | 95.7 | 82% | 0.816 | 54% | 0.536 | S | S | * | . | trans | -89.8 | 68.3 | -179.5 | 50.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 1182 | T | 28 | Very low | 45.8 | Very low | 116 Ų | 116 | 99.1 Ų | 99.1 | 71% | 0.712 | 56% | 0.56 | S | S | * | * | trans | -144 | 109 | 163.3 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | N1180 | N1180-T1182 PolarHBondContact O-N 3.19Š| ||
| 1183 | V | 29.6 | Very low | 44 | Very low | 130 Ų | 130 | 100.3 Ų | 100.3 | 79% | 0.788 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 73.8 | 134.7 | 152.1 | -177.4 | 0 | 0 | 0 | 0 | 118.1 | ||
| 1184 | N | 32.2 | Very low | 42.5 | Very low | 154 Ų | 154 | 100.1 Ų | 100.1 | 82% | 0.824 | 57% | 0.568 | S | S | * | * | trans | 75.5 | 99.1 | 172.2 | -65.6 | -5.1 | 0 | 0 | 0 | 119.4 | ||||
| 1185 | N | 28.7 | Very low | 41.6 | Very low | 156 Ų | 156 | 99.2 Ų | 99.2 | 83% | 0.834 | 56% | 0.564 | S | S | * | * | trans | -73.9 | 127.1 | 155.6 | -69.8 | -40 | 0 | 0 | 0 | 110 | ||||
| 1186 | N | 29.9 | Very low | 41.6 | Very low | 134 Ų | 134 | 103 Ų | 103 | 72% | 0.717 | 58% | 0.582 | S | S | * | * | trans | 173.5 | 82.3 | 147.8 | -92.8 | -17.4 | 0 | 0 | 0 | 110.1 | ||||
| 1187 | N | 32 | Very low | 42.5 | Very low | 128 Ų | 128 | 101.1 Ų | 101.1 | 68% | 0.684 | 57% | 0.569 | S | S | * | * | trans | 178.8 | 60.5 | 160.7 | -100.8 | -43.9 | 0 | 0 | 0 | 113.3 | N1189 | N1187-N1189 PolarHBondContact O-N 3.08Š| ||
| 1188 | S | 32.9 | Very low | 43.9 | Very low | 101 Ų | 101 | 98.4 Ų | 98.4 | 71% | 0.706 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 15.2 | -175.7 | 59.9 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1189 | N | 38 | Very low | 45.8 | Very low | 131 Ų | 131 | 96.3 Ų | 96.3 | 70% | 0.701 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -6.5 | -170.9 | -70.7 | 0.5 | 0 | 0 | 0 | 114.3 | N1187 | N1187-N1189 PolarHBondContact O-N 3.08Š|
| 1190 | N | 38.1 | Very low | 48.2 | Very low | 73 Ų | 73 | 89.4 Ų | 89.4 | 39% | 0.39 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -83.9 | -34.1 | 176.2 | -74.9 | -49.6 | 0 | 0 | 0 | 112.5 | S1192 S1193 | N1190-S1192 VanDerWaalsContact C-N 3.29Å; N1190-S1192 PolarHBondContact O-N 2.75Å; N1190-S1193 WeakPolarHBondContact O-CB 3.33Å; N1190-S1193 PolarHBondContact O-N 3.06Å; N1190-S1193 PolarHBondContact O-OG 3.13Å |
| 1191 | D | 47.8 | Very low | 51 | Low | 96 Ų | 96 | 82.2 Ų | 82.2 | 51% | 0.513 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.3 | -31.3 | -163.1 | -49.8 | -17.8 | 0 | 0 | 0 | 113.9 | S1193 | D1191-S1193 VanDerWaalsContact C-N 3.33Å; D1191-S1193 PolarHBondContact O-N 3.14Å |
| 1192 | S | 54.4 | Low | 53.8 | Low | 82 Ų | 82 | 75.9 Ų | 75.9 | 57% | 0.573 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -68.3 | -30 | 177.7 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | N1190 L1196 | N1190-S1192 VanDerWaalsContact C-N 3.29Å; N1190-S1192 PolarHBondContact O-N 2.75Å; S1192-L1196 WeakPolarHBondContact O-CB 3.36Å; S1192-L1196 PolarHBondContact O-N 3.04Å |
| 1193 | S | 54.8 | Low | 56.5 | Low | 33 Ų | 33 | 75.1 Ų | 75.1 | 23% | 0.231 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -72.1 | -39.6 | -173.3 | 68.4 | 0 | 0 | 0 | 0 | 113.4 | N1190 D1191 C1197 | N1190-S1193 WeakPolarHBondContact O-CB 3.33Å; N1190-S1193 PolarHBondContact O-N 3.06Å; N1190-S1193 PolarHBondContact O-OG 3.13Å; D1191-S1193 VanDerWaalsContact C-N 3.33Å; D1191-S1193 PolarHBondContact O-N 3.14Å; S1193-C1197 PolarHBondContact O-N 2.58Å; S1193-C1197 PolarHBondContact O-SG 3.08Å |
| 1194 | Q | 58.9 | Low | 59.3 | Low | 21 Ų | 21 | 69 Ų | 69 | 10% | 0.098 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.5 | -42.8 | 178.9 | -59.1 | -174 | -32 | 0 | 0 | 110.7 | H1134 S1176 L1196 C1197 L1198 | H1134-Q1194 PolarHBondContact O-NE2 3.3Å; S1176-Q1194 PolarHBondContact OG-NE2 3.47Å; S1176-Q1194 PolarHBondContact OG-OE1 3.19Å; Q1194-L1196 VanDerWaalsContact C-N 3.34Å; Q1194-L1196 PolarHBondContact O-N 2.91Å; Q1194-C1197 PolarHBondContact O-N 3.4Å; Q1194-L1198 PolarHBondContact O-N 2.78Å; Q1194-L1198 VanDerWaalsContact O-N 3.15Å |
| 1195 | L | 65.2 | Low | 62.1 | Low | 14 Ų | 14 | 61.8 Ų | 61.8 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65 | -37.1 | 178.7 | -152.6 | 64.4 | 0 | 0 | 0 | 112.2 | I1177 K1199 C1231 L1233 | I1177-L1195 HydrophobicContact CD1-CD1 4.22Å; L1195-K1199 WeakPolarHBondContact O-CB 3.41Å; L1195-K1199 PolarHBondContact O-N 3.06Å; L1195-C1231 WeakPolarHBondContact CD2-SG 3.45Å; L1195-L1233 HydrophobicContact CD1-CB 3.71Å; L1195-L1233 HydrophobicContact CD2-CB 3.89Å; L1195-L1233 HydrophobicContact CD2-CD1 4.3Å; L1195-L1233 HydrophobicContact CG-CB 3.72Å; L1195-L1233 HydrophobicContact CG-CD1 4Å |
| 1196 | L | 69 | Low | 64.9 | Low | 94 Ų | 94 | 54.9 Ų | 54.9 | 49% | 0.492 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 174.3 | -176.5 | 63.1 | 0 | 0 | 0 | 112.4 | S1192 Q1194 K1199 N1200 | S1192-L1196 WeakPolarHBondContact O-CB 3.36Å; S1192-L1196 PolarHBondContact O-N 3.04Å; Q1194-L1196 VanDerWaalsContact C-N 3.34Å; Q1194-L1196 PolarHBondContact O-N 2.91Å; L1196-K1199 PolarHBondContact O-N 3.06Å; L1196-N1200 WeakPolarHBondContact O-CB 3.49Å; L1196-N1200 PolarHBondContact O-N 3.04Å |
| 1197 | C | 75.5 | Confident | 67.4 | Low | 18 Ų | 18 | 51.7 Ų | 51.7 | 12% | 0.122 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 176.1 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | Y1135 S1193 Q1194 N1200 E1201 | Y1135-C1197 HydrophobicContact CD1-CB 4.42Å; S1193-C1197 PolarHBondContact O-N 2.58Å; S1193-C1197 PolarHBondContact O-SG 3.08Å; Q1194-C1197 PolarHBondContact O-N 3.4Å; C1197-N1200 PolarHBondContact O-N 2.76Å; C1197-E1201 WeakPolarHBondContact O-CB 3.18Å; C1197-E1201 PolarHBondContact O-N 3.34Å |
| 1198 | L | 80.7 | Confident | 70.1 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 178 | -173.9 | 64 | 0 | 0 | 0 | 112.3 | Q1194 N1200 E1201 I1202 L1238 | Q1194-L1198 PolarHBondContact O-N 2.78Å; Q1194-L1198 VanDerWaalsContact O-N 3.15Å; L1198-N1200 VanDerWaalsContact C-N 3.35Å; L1198-N1200 PolarHBondContact O-N 3Å; L1198-E1201 PolarHBondContact O-N 3.41Å; L1198-I1202 HydrophobicContact CG-CD1 4.17Å; L1198-I1202 WeakPolarHBondContact O-CD1 3.47Å; L1198-I1202 VanDerWaalsContact O-CG1 3.32Å; L1198-I1202 WeakPolarHBondContact O-CG1 3.49Å; L1198-I1202 PolarHBondContact O-N 3.28Å; L1198-L1238 HydrophobicContact CD1-CB 3.87Å; L1198-L1238 HydrophobicContact CD1-CD2 4.11Å |
| 1199 | K | 78.2 | Confident | 72.2 | Confident | 70 Ų | 70 | 43.1 Ų | 43.1 | 30% | 0.304 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.6 | -46.3 | 173 | 175.2 | 177.2 | -177.9 | 177.6 | 0 | 111.6 | Q1074 L1075 L1195 L1196 I1202 R1203 L1233 | Q1074-K1199 WeakPolarHBondContact O-CE 3.07Å; Q1074-K1199 PolarHBondContact O-NZ 2.72Å; L1075-K1199 HydrophobicContact CD2-CB 4.29Å; L1075-K1199 HydrophobicContact CD2-CG 4.23Å; L1195-K1199 WeakPolarHBondContact O-CB 3.41Å; L1195-K1199 PolarHBondContact O-N 3.06Å; L1196-K1199 PolarHBondContact O-N 3.06Å; K1199-I1202 PolarHBondContact O-N 2.67Å; K1199-R1203 PolarHBondContact O-N 3.26Å; K1199-R1203 VanDerWaalsContact O-N 3.12Å; K1199-L1233 HydrophobicContact CB-CD1 4.35Å; K1199-L1233 HydrophobicContact CD-CD1 4.23Å |
| 1200 | N | 81.1 | Confident | 74.2 | Confident | 27 Ų | 27 | 42.5 Ų | 42.5 | 14% | 0.144 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69 | -40.1 | -177.9 | -177.5 | 71.5 | 0 | 0 | 0 | 112.5 | L1196 C1197 L1198 R1203 I1204 F1341 A1344 | L1196-N1200 WeakPolarHBondContact O-CB 3.49Å; L1196-N1200 PolarHBondContact O-N 3.04Å; C1197-N1200 PolarHBondContact O-N 2.76Å; L1198-N1200 VanDerWaalsContact C-N 3.35Å; L1198-N1200 PolarHBondContact O-N 3Å; N1200-R1203 PolarHBondContact O-N 2.94Å; N1200-I1204 WeakPolarHBondContact O-CG1 3.47Å; N1200-I1204 PolarHBondContact O-N 3.12Å; N1200-F1341 PolarHBondContact ND2-O 3.03Å; N1200-A1344 PolarHBondContact ND2-O 3.32Å |
| 1201 | E | 88.1 | Confident | 76.7 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 174 | -178 | 171.3 | -147.3 | 0 | 0 | 112 | K1173 C1197 L1198 I1204 L1205 L1238 F1341 | K1173-E1201 WeakPolarHBondContact CD-OE2 3.24Å; K1173-E1201 WeakPolarHBondContact CE-OE2 3.3Å; K1173-E1201 IonicContact NZ-OE1 3.72Å; K1173-E1201 PolarHBondContact NZ-OE1 3.19Å; K1173-E1201 IonicContact NZ-OE2 2.67Å; K1173-E1201 PolarHBondContact NZ-OE2 2.86Å; C1197-E1201 WeakPolarHBondContact O-CB 3.18Å; C1197-E1201 PolarHBondContact O-N 3.34Å; L1198-E1201 PolarHBondContact O-N 3.41Å; E1201-I1204 PolarHBondContact O-N 3.05Å; E1201-L1205 HydrophobicContact CG-CD1 3.81Å; E1201-L1205 HydrophobicContact CG-CG 4.36Å; E1201-L1205 WeakPolarHBondContact O-CB 3.32Å; E1201-L1205 WeakPolarHBondContact O-CG 3.28Å; E1201-L1205 PolarHBondContact O-N 3.26Å; E1201-L1238 HydrophobicContact CG-CD2 3.73Å; E1201-F1341 HydrophobicContact CG-CB 4.15Å |
| 1202 | I | 87.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.9 | -49 | 174.4 | -72.8 | 164.2 | 0 | 0 | 0 | 111.1 | L1075 L1076 L1198 K1199 I1204 L1205 S1206 I1220 V1236 L1238 | L1075-I1202 HydrophobicContact CB-CG2 4.21Å; L1075-I1202 HydrophobicContact CD2-CB 4.47Å; L1075-I1202 HydrophobicContact CD2-CD1 3.74Å; L1075-I1202 HydrophobicContact CD2-CG2 4.31Å; L1076-I1202 HydrophobicContact CD2-CG2 4.05Å; L1198-I1202 HydrophobicContact CG-CD1 4.17Å; L1198-I1202 WeakPolarHBondContact O-CD1 3.47Å; L1198-I1202 VanDerWaalsContact O-CG1 3.32Å; L1198-I1202 WeakPolarHBondContact O-CG1 3.49Å; L1198-I1202 PolarHBondContact O-N 3.28Å; K1199-I1202 PolarHBondContact O-N 2.67Å; I1202-I1204 VanDerWaalsContact C-N 3.31Å; I1202-I1204 PolarHBondContact O-N 3.41Å; I1202-L1205 PolarHBondContact O-N 2.86Å; I1202-S1206 WeakPolarHBondContact O-CB 3.38Å; I1202-S1206 PolarHBondContact O-N 3.41Å; I1202-S1206 PolarHBondContact O-OG 3.2Å; I1202-I1220 HydrophobicContact CG2-CD1 3.65Å; I1202-I1220 HydrophobicContact CG2-CG1 4.45Å; I1202-V1236 HydrophobicContact CD1-CG1 3.98Å; I1202-L1238 HydrophobicContact CG1-CB 4.4Å; I1202-L1238 HydrophobicContact CG1-CD1 4.13Å; I1202-L1238 HydrophobicContact CG1-CD2 4.34Å |
| 1203 | R | 84.5 | Confident | 80.6 | Confident | 99 Ų | 99 | 36.7 Ų | 36.7 | 37% | 0.374 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.8 | -33.8 | -179.3 | -168.3 | -177.7 | 68.1 | 148.2 | -0.1 | 113.3 | L1075 K1199 N1200 S1206 N1207 | L1075-R1203 WeakPolarHBondContact O-CB 2.99Å; K1199-R1203 PolarHBondContact O-N 3.26Å; K1199-R1203 VanDerWaalsContact O-N 3.12Å; N1200-R1203 PolarHBondContact O-N 2.94Å; R1203-S1206 PolarHBondContact O-OG 3.44Å; R1203-N1207 PolarHBondContact O-ND2 2.86Å |
| 1204 | I | 88.3 | Confident | 82.5 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -81.7 | -45.7 | -179.9 | -69.2 | 173.6 | 0 | 0 | 0 | 110.2 | N1200 E1201 I1202 S1206 N1207 L1208 V1318 F1341 A1344 | N1200-I1204 WeakPolarHBondContact O-CG1 3.47Å; N1200-I1204 PolarHBondContact O-N 3.12Å; E1201-I1204 PolarHBondContact O-N 3.05Å; I1202-I1204 VanDerWaalsContact C-N 3.31Å; I1202-I1204 PolarHBondContact O-N 3.41Å; I1204-S1206 VanDerWaalsContact C-N 3.31Å; I1204-S1206 PolarHBondContact O-N 3.44Å; I1204-N1207 PolarHBondContact O-N 2.92Å; I1204-N1207 VanDerWaalsContact O-N 3.09Å; I1204-L1208 HydrophobicContact CG2-CD1 3.61Å; I1204-L1208 HydrophobicContact CG2-CG 4.37Å; I1204-L1208 WeakPolarHBondContact O-CG 3.38Å; I1204-L1208 PolarHBondContact O-N 2.99Å; I1204-V1318 HydrophobicContact CG2-CG1 4.07Å; I1204-V1318 HydrophobicContact CG2-CG2 4.16Å; I1204-F1341 HydrophobicContact CG2-CB 4.23Å; I1204-F1341 HydrophobicContact CG2-CD1 3.73Å; I1204-F1341 HydrophobicContact CG2-CE1 4.48Å; I1204-F1341 HydrophobicContact CG2-CG 4.2Å; I1204-A1344 HydrophobicContact CD1-CB 3.64Å |
| 1205 | L | 90.8 | Very high | 84.2 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.6 | -26.5 | 180 | -70.3 | 179.6 | 0 | 0 | 0 | 113.7 | E1201 I1202 N1207 L1208 I1214 I1215 M1217 L1238 L1240 F1341 | E1201-L1205 HydrophobicContact CG-CD1 3.81Å; E1201-L1205 HydrophobicContact CG-CG 4.36Å; E1201-L1205 WeakPolarHBondContact O-CB 3.32Å; E1201-L1205 WeakPolarHBondContact O-CG 3.28Å; E1201-L1205 PolarHBondContact O-N 3.26Å; I1202-L1205 PolarHBondContact O-N 2.86Å; L1205-N1207 PolarHBondContact O-N 3.09Å; L1205-N1207 VanDerWaalsContact O-N 3.15Å; L1205-L1208 PolarHBondContact O-N 3.47Å; L1205-I1214 HydrophobicContact CD2-CG2 4.35Å; L1205-I1215 HydrophobicContact CD1-CG2 4.34Å; L1205-I1215 HydrophobicContact CD2-CG2 4.03Å; L1205-I1215 WeakPolarHBondContact CD2-O 3.29Å; L1205-M1217 HydrophobicContact CB-CB 4.04Å; L1205-M1217 HydrophobicContact CB-SD 4.48Å; L1205-L1238 HydrophobicContact CD1-CD2 4.33Å; L1205-L1240 HydrophobicContact CD1-CD2 3.77Å; L1205-F1341 HydrophobicContact CD2-CD2 3.52Å; L1205-F1341 HydrophobicContact CD2-CE2 3.82Å; L1205-F1341 HydrophobicContact CD2-CG 4.16Å; L1205-F1341 HydrophobicContact CG-CD2 4.18Å |
| 1206 | S | 86.1 | Confident | 85.4 | Confident | 12 Ų | 12 | 35 Ų | 35 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -19.3 | 172.1 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | I1202 R1203 I1204 | I1202-S1206 WeakPolarHBondContact O-CB 3.38Å; I1202-S1206 PolarHBondContact O-N 3.41Å; I1202-S1206 PolarHBondContact O-OG 3.2Å; R1203-S1206 PolarHBondContact O-OG 3.44Å; I1204-S1206 VanDerWaalsContact C-N 3.31Å; I1204-S1206 PolarHBondContact O-N 3.44Å |
| 1207 | N | 83.2 | Confident | 86.4 | Confident | 67 Ų | 67 | 30.8 Ų | 30.8 | 36% | 0.358 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -11 | -177.6 | -61.1 | -13.7 | 0 | 0 | 0 | 113 | R1203 I1204 L1205 Q1346 | R1203-N1207 PolarHBondContact O-ND2 2.86Å; I1204-N1207 PolarHBondContact O-N 2.92Å; I1204-N1207 VanDerWaalsContact O-N 3.09Å; L1205-N1207 PolarHBondContact O-N 3.09Å; L1205-N1207 VanDerWaalsContact O-N 3.15Å; N1207-Q1346 PolarHBondContact ND2-OE1 3.12Å |
| 1208 | L | 88.2 | Confident | 87 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | trans | -108.9 | 44.9 | -171.2 | -65.4 | 178.1 | 0 | 0 | 0 | 113.7 | I1204 L1205 I1214 Y1312 L1313 N1316 V1318 F1341 | I1204-L1208 HydrophobicContact CG2-CD1 3.61Å; I1204-L1208 HydrophobicContact CG2-CG 4.37Å; I1204-L1208 WeakPolarHBondContact O-CG 3.38Å; I1204-L1208 PolarHBondContact O-N 2.99Å; L1205-L1208 PolarHBondContact O-N 3.47Å; L1208-I1214 HydrophobicContact CB-CG2 4.22Å; L1208-I1214 HydrophobicContact CD1-CG2 4.4Å; L1208-Y1312 HydrophobicContact CB-CE1 4.1Å; L1208-Y1312 HydrophobicContact CD2-CD1 4.17Å; L1208-Y1312 HydrophobicContact CD2-CE1 3.7Å; L1208-L1313 HydrophobicContact CD1-CD2 3.56Å; L1208-L1313 HydrophobicContact CD2-CD2 4.06Å; L1208-L1313 HydrophobicContact CG-CD2 4.47Å; L1208-N1316 HydrophobicContact CD2-CB 3.67Å; L1208-V1318 HydrophobicContact CD1-CG2 4.41Å; L1208-V1318 HydrophobicContact CD2-CG2 4.25Å; L1208-F1341 HydrophobicContact CD1-CD1 4.2Å; L1208-F1341 HydrophobicContact CD1-CE1 3.78Å; L1208-F1341 HydrophobicContact CD1-CZ 4.1Å | ||
| 1209 | T | 77.4 | Confident | 87.4 | Confident | 47 Ų | 47 | 29.4 Ų | 29.4 | 29% | 0.288 | 15% | 0.148 | S | C | . | . | trans | -79.9 | -22.2 | -170.6 | 56.2 | 0 | 0 | 0 | 0 | 115.4 | W1116 | W1116-T1209 HydrophobicContact CH2-CG2 3.77Å; W1116-T1209 HydrophobicContact CZ2-CG2 4.27Å | ||
| 1210 | N | 81.1 | Confident | 87.9 | Confident | 118 Ų | 118 | 26.1 Ų | 26.1 | 63% | 0.631 | 13% | 0.133 | S | C | * | . | S | Bend | trans | -108.4 | 33.3 | -158.3 | -62.3 | -4.5 | 0 | 0 | 0 | 114.2 | Y1312 | N1210-Y1312 HydrophobicContact CB-CE2 4.34Å; N1210-Y1312 PolarHBondContact N-OH 3.33Å; N1210-Y1312 VanDerWaalsContact N-OH 3.07Å |
| 1211 | C | 89.1 | Confident | 88.2 | Confident | 16 Ų | 16 | 25.5 Ų | 25.5 | 11% | 0.108 | 13% | 0.13 | C | C | . | . | trans | -139.6 | 133 | 174.6 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | N1213 I1214 Y1312 | C1211-N1213 VanDerWaalsContact C-N 3.27Å; C1211-N1213 PolarHBondContact O-N 2.95Å; C1211-N1213 PolarHBondContact SG-N 2.74Å; C1211-N1213 VanDerWaalsContact SG-N 3.44Å; C1211-I1214 HydrophobicContact CB-CG1 3.88Å; C1211-Y1312 HydrophobicContact CB-CD1 3.38Å; C1211-Y1312 HydrophobicContact CB-CD2 3.93Å; C1211-Y1312 HydrophobicContact CB-CE1 3.63Å; C1211-Y1312 HydrophobicContact CB-CE2 4.18Å; C1211-Y1312 HydrophobicContact CB-CG 3.53Å | ||
| 1212 | D | 90 | Very high | 87.8 | Confident | 87 Ų | 87 | 26.3 Ų | 26.3 | 47% | 0.465 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -20.1 | 178.3 | -66.3 | -62.8 | 0 | 0 | 0 | 113.3 | I1214 R1216 K1337 | D1212-I1214 VanDerWaalsContact C-N 3.34Å; D1212-R1216 IonicContact OD1-CZ 2.81Å; D1212-R1216 IonicContact OD1-NH1 2.93Å; D1212-R1216 PolarHBondContact OD1-NH1 3.29Å; D1212-R1216 IonicContact OD1-NH2 2.68Å; D1212-R1216 PolarHBondContact OD1-NH2 3.07Å; D1212-R1216 IonicContact OD2-NH2 2.85Å; D1212-K1337 WeakPolarHBondContact O-CE 3.37Å; D1212-K1337 VanDerWaalsContact O-CG 3.28Å; D1212-K1337 WeakPolarHBondContact O-CG 3.15Å; D1212-K1337 PolarHBondContact O-NZ 3.17Å |
| 1213 | N | 95.5 | Very high | 87 | Confident | 25 Ų | 25 | 30.2 Ų | 30.2 | 13% | 0.134 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 11.9 | 178.8 | -58.7 | 107 | 0 | 0 | 0 | 114.4 | C1211 G1305 P1336 K1337 I1338 | C1211-N1213 VanDerWaalsContact C-N 3.27Å; C1211-N1213 PolarHBondContact O-N 2.95Å; C1211-N1213 PolarHBondContact SG-N 2.74Å; C1211-N1213 VanDerWaalsContact SG-N 3.44Å; N1213-G1305 WeakPolarHBondContact CB-O 3.1Å; N1213-G1305 PolarHBondContact ND2-O 3.12Å; N1213-G1305 PolarHBondContact OD1-O 3.37Å; N1213-P1336 WeakPolarHBondContact CA-O 3.45Å; N1213-P1336 PolarHBondContact ND2-O 2.91Å; N1213-K1337 CarbonylContact O-C 3.55Å; N1213-K1337 WeakPolarHBondContact O-CA 3.5Å; N1213-I1338 PolarHBondContact O-N 3.17Å |
| 1214 | I | 94.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -112.5 | 150 | 168.1 | -52.5 | -58.6 | 0 | 0 | 0 | 108.9 | L1205 L1208 C1211 D1212 R1216 Y1312 L1313 K1337 I1338 F1341 | L1205-I1214 HydrophobicContact CD2-CG2 4.35Å; L1208-I1214 HydrophobicContact CB-CG2 4.22Å; L1208-I1214 HydrophobicContact CD1-CG2 4.4Å; C1211-I1214 HydrophobicContact CB-CG1 3.88Å; D1212-I1214 VanDerWaalsContact C-N 3.34Å; I1214-R1216 PolarHBondContact O-N 2.64Å; I1214-Y1312 HydrophobicContact CD1-CD1 4.44Å; I1214-Y1312 HydrophobicContact CG1-CD1 3.79Å; I1214-Y1312 HydrophobicContact CG1-CE1 4.23Å; I1214-L1313 HydrophobicContact CD1-CD2 3.72Å; I1214-L1313 HydrophobicContact CD1-CG 4Å; I1214-K1337 PolarHBondContact O-NZ 2.97Å; I1214-I1338 HydrophobicContact CD1-CB 4Å; I1214-I1338 HydrophobicContact CD1-CD1 3.99Å; I1214-I1338 HydrophobicContact CD1-CG1 4.35Å; I1214-F1341 HydrophobicContact CD1-CZ 4.38Å; I1214-F1341 HydrophobicContact CG2-CE2 3.93Å; I1214-F1341 HydrophobicContact CG2-CZ 3.9Å |
| 1215 | I | 93.6 | Very high | 83.8 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 123.9 | 169.9 | -163.8 | 69.5 | 0 | 0 | 0 | 110.5 | L1205 L1240 E1241 C1243 L1329 K1337 I1338 F1341 | L1205-I1215 HydrophobicContact CD1-CG2 4.34Å; L1205-I1215 HydrophobicContact CD2-CG2 4.03Å; L1205-I1215 WeakPolarHBondContact CD2-O 3.29Å; I1215-L1240 HydrophobicContact CG1-CB 4.37Å; I1215-L1240 HydrophobicContact CG1-CD1 4.29Å; I1215-E1241 HydrophobicContact CD1-CG 3.47Å; I1215-E1241 VanDerWaalsContact CD1-CG 3.47Å; I1215-E1241 HydrophobicContact CG1-CG 4.28Å; I1215-C1243 VanDerWaalsContact CD1-SG 3.57Å; I1215-L1329 HydrophobicContact CD1-CD1 3.93Å; I1215-L1329 HydrophobicContact CG1-CD1 4.47Å; I1215-K1337 HydrophobicContact CD1-CD 4.43Å; I1215-I1338 WeakPolarHBondContact CB-O 3.31Å; I1215-I1338 WeakPolarHBondContact CG2-O 3.46Å; I1215-I1338 PolarHBondContact N-O 3.22Å; I1215-F1341 HydrophobicContact CG2-CD2 4.38Å; I1215-F1341 HydrophobicContact CG2-CE2 4.17Å |
| 1216 | R | 90 | Very high | 81.9 | Confident | 32 Ų | 32 | 39.3 Ų | 39.3 | 12% | 0.121 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -86 | 129.3 | -177.8 | -69.9 | 178 | 166.7 | 122.5 | 2.9 | 111.5 | I1159 D1212 I1214 L1240 E1241 | I1159-R1216 VanDerWaalsContact CD1-NH1 3.34Å; D1212-R1216 IonicContact OD1-CZ 2.81Å; D1212-R1216 IonicContact OD1-NH1 2.93Å; D1212-R1216 PolarHBondContact OD1-NH1 3.29Å; D1212-R1216 IonicContact OD1-NH2 2.68Å; D1212-R1216 PolarHBondContact OD1-NH2 3.07Å; D1212-R1216 IonicContact OD2-NH2 2.85Å; I1214-R1216 PolarHBondContact O-N 2.64Å; R1216-L1240 WeakPolarHBondContact O-CA 3.42Å; R1216-E1241 HydrophobicContact CB-CG 4.47Å; R1216-E1241 VanDerWaalsContact CB-OE1 3.29Å; R1216-E1241 WeakPolarHBondContact CB-OE1 3.33Å; R1216-E1241 WeakPolarHBondContact CG-OE1 3.22Å; R1216-E1241 PolarHBondContact N-OE1 3.1Å; R1216-E1241 PolarHBondContact O-N 2.98Å |
| 1217 | M | 90.4 | Very high | 79.6 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 128.4 | 163.2 | -177.1 | 170.3 | 77.9 | 0 | 0 | 109.7 | W1116 L1205 I1220 L1238 L1240 | W1116-M1217 HydrophobicContact CD2-CE 3.59Å; W1116-M1217 HydrophobicContact CE3-CE 3.66Å; W1116-M1217 HydrophobicContact CG-CE 4.2Å; W1116-M1217 HydrophobicContact CH2-CE 3.85Å; W1116-M1217 HydrophobicContact CZ2-CE 3.79Å; W1116-M1217 HydrophobicContact CZ3-CE 3.79Å; W1116-M1217 HydrophobicContact CZ3-CG 4.49Å; L1205-M1217 HydrophobicContact CB-CB 4.04Å; L1205-M1217 HydrophobicContact CB-SD 4.48Å; M1217-I1220 HydrophobicContact SD-CG1 4.36Å; M1217-L1238 HydrophobicContact CB-CD1 4.45Å; M1217-L1238 HydrophobicContact CG-CD1 3.66Å; M1217-L1238 HydrophobicContact SD-CD1 3.5Å; M1217-L1238 WeakPolarHBondContact SD-CD1 3.33Å; M1217-L1240 HydrophobicContact CB-CD2 4.23Å |
| 1218 | I | 88.9 | Confident | 77.6 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -35.7 | 172.9 | -48.2 | -58.9 | 0 | 0 | 0 | 109.5 | I1118 L1143 L1152 F1156 L1160 V1170 I1239 E1241 | I1118-I1218 HydrophobicContact CD1-CG2 4.12Å; L1143-I1218 HydrophobicContact CD2-CG2 4.11Å; L1152-I1218 HydrophobicContact CD1-CG2 4.42Å; F1156-I1218 HydrophobicContact CD1-CD1 3.44Å; F1156-I1218 VanDerWaalsContact CD1-CD1 3.44Å; F1156-I1218 HydrophobicContact CE1-CD1 3.65Å; F1156-I1218 HydrophobicContact CG-CD1 4.33Å; L1160-I1218 HydrophobicContact CD2-CD1 3.78Å; L1160-I1218 HydrophobicContact CD2-CG1 4.13Å; L1160-I1218 HydrophobicContact CG-CD1 4.36Å; V1170-I1218 HydrophobicContact CG1-CG1 4.26Å; I1218-I1239 HydrophobicContact CB-CG2 4.17Å; I1218-I1239 PolarHBondContact N-O 3.45Å; I1218-E1241 HydrophobicContact CD1-CB 4.32Å |
| 1219 | G | 88.5 | Confident | 75.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.7 | -163.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | W1116 I1239 | W1116-G1219 CarbonylContact O-C 3.54Å; W1116-G1219 WeakPolarHBondContact O-CA 3.35Å; G1219-I1239 PolarHBondContact N-O 3.46Å; G1219-I1239 WeakPolarHBondContact O-CB 3.3Å; G1219-I1239 PolarHBondContact O-N 2.87Å |
| 1220 | I | 88.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 126.7 | -175.3 | -52.7 | 170.9 | 0 | 0 | 0 | 107.9 | L1076 W1116 I1118 I1202 M1217 F1222 V1236 N1237 | L1076-I1220 HydrophobicContact CD2-CD1 4.35Å; W1116-I1220 PolarHBondContact O-N 3.01Å; I1118-I1220 PolarHBondContact N-O 3.32Å; I1202-I1220 HydrophobicContact CG2-CD1 3.65Å; I1202-I1220 HydrophobicContact CG2-CG1 4.45Å; M1217-I1220 HydrophobicContact SD-CG1 4.36Å; I1220-F1222 HydrophobicContact CB-CE2 4.3Å; I1220-F1222 HydrophobicContact CG2-CD2 4.34Å; I1220-F1222 HydrophobicContact CG2-CE2 3.7Å; I1220-F1222 HydrophobicContact CG2-CZ 3.9Å; I1220-V1236 HydrophobicContact CG2-CG1 3.75Å; I1220-N1237 WeakPolarHBondContact CA-O 3.15Å |
| 1221 | M | 86.8 | Confident | 72 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 7% | 0.069 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.6 | 173 | -170.6 | -156.9 | 75.9 | 0 | 0 | 110.1 | I1118 I1123 M1172 E1223 N1237 I1239 | I1118-M1221 WeakPolarHBondContact O-CG 3.44Å; I1123-M1221 HydrophobicContact CG2-CG 4.04Å; I1123-M1221 HydrophobicContact CG2-SD 3.42Å; I1123-M1221 WeakPolarHBondContact CG2-SD 3.41Å; M1172-M1221 HydrophobicContact CE-CE 3.57Å; M1172-M1221 HydrophobicContact CE-SD 4.38Å; M1221-E1223 HydrophobicContact CE-CG 3.92Å; M1221-N1237 HydrophobicContact CB-CB 4.36Å; M1221-N1237 HydrophobicContact CE-CB 4.2Å; M1221-N1237 PolarHBondContact N-O 2.79Å; M1221-N1237 PolarHBondContact O-N 2.9Å; M1221-I1239 HydrophobicContact CB-CD1 4.27Å; M1221-I1239 HydrophobicContact CB-CG1 4.3Å |
| 1222 | F | 79.5 | Confident | 70.1 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 10% | 0.096 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134.8 | 172.1 | -63.1 | -96.3 | 0 | 0 | 0 | 110 | V1068 V1071 L1072 L1075 I1117 I1220 L1226 G1235 V1236 | V1068-F1222 HydrophobicContact CG1-CE2 4.47Å; V1071-F1222 HydrophobicContact CG1-CE1 3.98Å; L1072-F1222 HydrophobicContact CD1-CE1 4.48Å; L1072-F1222 HydrophobicContact CD1-CE2 3.56Å; L1072-F1222 HydrophobicContact CD1-CZ 3.46Å; L1072-F1222 VanDerWaalsContact CD1-CZ 3.46Å; L1072-F1222 HydrophobicContact CG-CE2 4.19Å; L1072-F1222 HydrophobicContact CG-CZ 3.89Å; L1075-F1222 HydrophobicContact CD1-CE1 4.38Å; L1075-F1222 HydrophobicContact CD1-CZ 4.12Å; I1117-F1222 HydrophobicContact CG2-CD2 4.47Å; I1220-F1222 HydrophobicContact CB-CE2 4.3Å; I1220-F1222 HydrophobicContact CG2-CD2 4.34Å; I1220-F1222 HydrophobicContact CG2-CE2 3.7Å; I1220-F1222 HydrophobicContact CG2-CZ 3.9Å; F1222-L1226 HydrophobicContact CB-CD1 4.2Å; F1222-L1226 HydrophobicContact CD1-CD1 4.11Å; F1222-G1235 WeakPolarHBondContact CA-O 3.31Å; F1222-V1236 HydrophobicContact CD1-CG2 3.92Å; F1222-V1236 HydrophobicContact CE1-CG2 3.69Å |
| 1223 | E | 71.6 | Confident | 68.3 | Low | 82 Ų | 82 | 58.2 Ų | 58.2 | 38% | 0.383 | 29% | 0.285 | S | S | . | . | trans | -74.6 | 144.5 | 174.3 | -74.3 | 171.3 | -152.2 | 0 | 0 | 111.9 | M1221 N1225 G1235 N1237 | M1221-E1223 HydrophobicContact CE-CG 3.92Å; E1223-N1225 PolarHBondContact O-N 3.19Å; E1223-G1235 PolarHBondContact N-O 3.06Å; E1223-N1237 PolarHBondContact OE1-ND2 2.82Å | ||
| 1224 | S | 55.4 | Low | 66.5 | Low | 102 Ų | 102 | 59.1 Ų | 59.1 | 71% | 0.713 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -1.8 | -173.2 | 51.3 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1225 | N | 51 | Low | 65.2 | Low | 131 Ų | 131 | 60.1 Ų | 60.1 | 70% | 0.701 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 22 | -172.2 | -68.8 | -20.4 | 0 | 0 | 0 | 114 | E1223 K1227 | E1223-N1225 PolarHBondContact O-N 3.19Å; N1225-K1227 PolarHBondContact O-N 2.81Å |
| 1226 | L | 50.4 | Low | 64.5 | Low | 60 Ų | 60 | 60.3 Ų | 60.3 | 31% | 0.314 | 30% | 0.302 | S | S | . | . | trans | -58.2 | 1.7 | 177.2 | -81.4 | 170.9 | 0 | 0 | 0 | 116 | V1068 F1222 R1228 | V1068-L1226 HydrophobicContact CG2-CD1 4.4Å; F1222-L1226 HydrophobicContact CB-CD1 4.2Å; F1222-L1226 HydrophobicContact CD1-CD1 4.11Å; L1226-R1228 PolarHBondContact O-N 2.85Å | ||
| 1227 | K | 37.9 | Very low | 64.3 | Low | 148 Ų | 148 | 58.9 Ų | 58.9 | 64% | 0.643 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -82.5 | 101.4 | -176.7 | -67.3 | -175.4 | 175.8 | -178.7 | 0 | 111.4 | D1064 N1225 | D1064-K1227 IonicContact OD1-NZ 3.95Å; D1064-K1227 VanDerWaalsContact OD2-CE 3.26Å; D1064-K1227 WeakPolarHBondContact OD2-CE 3.5Å; D1064-K1227 IonicContact OD2-NZ 2.76Å; D1064-K1227 PolarHBondContact OD2-NZ 3Å; N1225-K1227 PolarHBondContact O-N 2.81Å |
| 1228 | R | 41.7 | Very low | 64.3 | Low | 189 Ų | 189 | 58.6 Ų | 58.6 | 71% | 0.713 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 98.8 | 9.9 | 166.3 | -53.7 | 177.8 | 174.5 | -171.2 | -1.2 | 119.3 | L1226 | L1226-R1228 PolarHBondContact O-N 2.85Š|
| 1229 | N | 38.5 | Very low | 64.5 | Low | 105 Ų | 105 | 58.6 Ų | 58.6 | 56% | 0.561 | 30% | 0.295 | S | S | * | . | trans | -78.8 | 139.5 | 174.7 | -81 | -23.5 | 0 | 0 | 0 | 112.9 | C1231 | N1229-C1231 PolarHBondContact O-N 3.1Š| ||
| 1230 | R | 42.5 | Very low | 64.7 | Low | 171 Ų | 171 | 59.2 Ų | 59.2 | 65% | 0.645 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -74.5 | -5.5 | 179.5 | -75.5 | -176 | 178.3 | 163.2 | -1.8 | 114.5 | ||
| 1231 | C | 46.2 | Very low | 64.8 | Low | 50 Ų | 50 | 59.4 Ų | 59.4 | 34% | 0.338 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -120.2 | 117.2 | 177.6 | -148.9 | 0 | 0 | 0 | 0 | 109.1 | L1195 N1229 L1233 N1234 | L1195-C1231 WeakPolarHBondContact CD2-SG 3.45Å; N1229-C1231 PolarHBondContact O-N 3.1Å; C1231-L1233 PolarHBondContact O-N 3.37Å; C1231-L1233 VanDerWaalsContact O-N 3.08Å; C1231-N1234 PolarHBondContact O-N 2.7Å |
| 1232 | P | 49.3 | Very low | 64.9 | Low | 58 Ų | 58 | 59.5 Ų | 59.5 | 38% | 0.377 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -12.5 | -171.9 | 21.1 | -30.7 | 0 | 0 | 0 | 114.8 | V1071 | V1071-P1232 WeakPolarHBondContact CG1-O 3.47Å; V1071-P1232 HydrophobicContact CG2-CB 3.64Å |
| 1233 | L | 53.6 | Low | 65.4 | Low | 25 Ų | 25 | 59.1 Ų | 59.1 | 13% | 0.131 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -2.3 | -173.7 | -58.7 | 170.4 | 0 | 0 | 0 | 113.5 | V1071 L1075 L1195 K1199 C1231 G1235 V1236 | V1071-L1233 HydrophobicContact CG1-CD2 3.94Å; L1075-L1233 HydrophobicContact CD1-CD2 4.21Å; L1075-L1233 HydrophobicContact CD2-CD2 3.57Å; L1075-L1233 HydrophobicContact CG-CD2 3.73Å; L1195-L1233 HydrophobicContact CD1-CB 3.71Å; L1195-L1233 HydrophobicContact CD2-CB 3.89Å; L1195-L1233 HydrophobicContact CD2-CD1 4.3Å; L1195-L1233 HydrophobicContact CG-CB 3.72Å; L1195-L1233 HydrophobicContact CG-CD1 4Å; K1199-L1233 HydrophobicContact CB-CD1 4.35Å; K1199-L1233 HydrophobicContact CD-CD1 4.23Å; C1231-L1233 PolarHBondContact O-N 3.37Å; C1231-L1233 VanDerWaalsContact O-N 3.08Å; L1233-G1235 PolarHBondContact O-N 2.87Å; L1233-V1236 HydrophobicContact CB-CG2 4.48Å; L1233-V1236 HydrophobicContact CD2-CG2 4.38Å; L1233-V1236 WeakPolarHBondContact O-CB 3.35Å; L1233-V1236 WeakPolarHBondContact O-CG2 3.26Å; L1233-V1236 PolarHBondContact O-N 2.87Å |
| 1234 | N | 57.3 | Low | 66.1 | Low | 44 Ų | 44 | 60 Ų | 60 | 24% | 0.235 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 122.2 | 176 | -77.5 | 19.9 | 0 | 0 | 0 | 110.2 | C1231 | C1231-N1234 PolarHBondContact O-N 2.7Š|
| 1235 | G | 67.3 | Low | 67.6 | Low | 22 Ų | 22 | 56 Ų | 56 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | 10.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | F1222 E1223 L1233 N1237 | F1222-G1235 WeakPolarHBondContact CA-O 3.31Å; E1223-G1235 PolarHBondContact N-O 3.06Å; L1233-G1235 PolarHBondContact O-N 2.87Å; G1235-N1237 PolarHBondContact O-ND2 2.98Å |
| 1236 | V | 78.8 | Confident | 69.5 | Low | 6 Ų | 6 | 53.5 Ų | 53.5 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 125.7 | 169.1 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | L1075 I1202 I1220 F1222 L1233 | L1075-V1236 HydrophobicContact CD1-CG1 3.96Å; L1075-V1236 HydrophobicContact CD1-CG2 4.39Å; I1202-V1236 HydrophobicContact CD1-CG1 3.98Å; I1220-V1236 HydrophobicContact CG2-CG1 3.75Å; F1222-V1236 HydrophobicContact CD1-CG2 3.92Å; F1222-V1236 HydrophobicContact CE1-CG2 3.69Å; L1233-V1236 HydrophobicContact CB-CG2 4.48Å; L1233-V1236 HydrophobicContact CD2-CG2 4.38Å; L1233-V1236 WeakPolarHBondContact O-CB 3.35Å; L1233-V1236 WeakPolarHBondContact O-CG2 3.26Å; L1233-V1236 PolarHBondContact O-N 2.87Å |
| 1237 | N | 86.9 | Confident | 71.5 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.8 | -178.8 | -68.1 | -79 | 0 | 0 | 0 | 110.7 | M1172 I1174 I1220 M1221 E1223 G1235 | M1172-N1237 HydrophobicContact CE-CB 3.68Å; M1172-N1237 VanDerWaalsContact CE-CG 3.44Å; M1172-N1237 WeakPolarHBondContact CE-OD1 3.3Å; M1172-N1237 HydrophobicContact CG-CB 4.47Å; I1174-N1237 VanDerWaalsContact CG1-OD1 3.25Å; I1174-N1237 WeakPolarHBondContact CG1-OD1 3.41Å; I1174-N1237 WeakPolarHBondContact CG2-OD1 3.24Å; I1220-N1237 WeakPolarHBondContact CA-O 3.15Å; M1221-N1237 HydrophobicContact CB-CB 4.36Å; M1221-N1237 HydrophobicContact CE-CB 4.2Å; M1221-N1237 PolarHBondContact N-O 2.79Å; M1221-N1237 PolarHBondContact O-N 2.9Å; E1223-N1237 PolarHBondContact OE1-ND2 2.82Å; G1235-N1237 PolarHBondContact O-ND2 2.98Å |
| 1238 | L | 90.5 | Very high | 74.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125.9 | -178.7 | 168.4 | 60.5 | 0 | 0 | 0 | 110.3 | K1173 L1198 E1201 I1202 L1205 M1217 L1240 | K1173-L1238 HydrophobicContact CB-CB 4.32Å; K1173-L1238 HydrophobicContact CD-CD2 4.44Å; K1173-L1238 PolarHBondContact N-O 2.98Å; K1173-L1238 PolarHBondContact O-N 3.09Å; L1198-L1238 HydrophobicContact CD1-CB 3.87Å; L1198-L1238 HydrophobicContact CD1-CD2 4.11Å; E1201-L1238 HydrophobicContact CG-CD2 3.73Å; I1202-L1238 HydrophobicContact CG1-CB 4.4Å; I1202-L1238 HydrophobicContact CG1-CD1 4.13Å; I1202-L1238 HydrophobicContact CG1-CD2 4.34Å; L1205-L1238 HydrophobicContact CD1-CD2 4.33Å; M1217-L1238 HydrophobicContact CB-CD1 4.45Å; M1217-L1238 HydrophobicContact CG-CD1 3.66Å; M1217-L1238 HydrophobicContact SD-CD1 3.5Å; M1217-L1238 WeakPolarHBondContact SD-CD1 3.33Å; L1238-L1240 HydrophobicContact CD1-CD2 3.78Å; L1238-L1240 HydrophobicContact CD1-CG 4.48Å; L1238-L1240 HydrophobicContact CD2-CD2 4.09Å; L1238-L1240 HydrophobicContact CD2-CG 4.45Å; L1238-L1240 HydrophobicContact CG-CD2 3.82Å; L1238-L1240 HydrophobicContact CG-CG 4.07Å |
| 1239 | I | 92 | Very high | 76.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.2 | -178.6 | -46.5 | -53.2 | 0 | 0 | 0 | 109.8 | I1118 I1123 V1170 A1171 M1172 I1218 G1219 M1221 | I1118-I1239 HydrophobicContact CD1-CB 3.96Å; I1118-I1239 HydrophobicContact CD1-CG1 4.01Å; I1118-I1239 HydrophobicContact CD1-CG2 4.07Å; I1123-I1239 HydrophobicContact CD1-CD1 3.64Å; I1123-I1239 HydrophobicContact CD1-CG1 4.01Å; I1123-I1239 HydrophobicContact CD1-CG2 3.97Å; V1170-I1239 HydrophobicContact CB-CG2 3.75Å; V1170-I1239 HydrophobicContact CG1-CG2 4.11Å; V1170-I1239 HydrophobicContact CG2-CG2 3.82Å; A1171-I1239 WeakPolarHBondContact O-CA 3.4Å; M1172-I1239 HydrophobicContact CB-CD1 4.01Å; M1172-I1239 HydrophobicContact CG-CD1 3.73Å; I1218-I1239 HydrophobicContact CB-CG2 4.17Å; I1218-I1239 PolarHBondContact N-O 3.45Å; G1219-I1239 PolarHBondContact N-O 3.46Å; G1219-I1239 WeakPolarHBondContact O-CB 3.3Å; G1219-I1239 PolarHBondContact O-N 2.87Å; M1221-I1239 HydrophobicContact CB-CD1 4.27Å; M1221-I1239 HydrophobicContact CB-CG1 4.3Å |
| 1240 | L | 92.2 | Very high | 79.1 | Confident | 14 Ų | 14 | 34 Ų | 34 | 7% | 0.073 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 163.2 | -175 | -56.4 | 178.3 | 0 | 0 | 0 | 111.2 | V1170 A1171 L1205 I1215 R1216 M1217 L1238 | V1170-L1240 WeakPolarHBondContact CA-O 3.23Å; V1170-L1240 WeakPolarHBondContact CB-O 3.48Å; A1171-L1240 HydrophobicContact CB-CB 4.33Å; A1171-L1240 PolarHBondContact N-O 3.01Å; A1171-L1240 PolarHBondContact O-N 3.13Å; L1205-L1240 HydrophobicContact CD1-CD2 3.77Å; I1215-L1240 HydrophobicContact CG1-CB 4.37Å; I1215-L1240 HydrophobicContact CG1-CD1 4.29Å; R1216-L1240 WeakPolarHBondContact O-CA 3.42Å; M1217-L1240 HydrophobicContact CB-CD2 4.23Å; L1238-L1240 HydrophobicContact CD1-CD2 3.78Å; L1238-L1240 HydrophobicContact CD1-CG 4.48Å; L1238-L1240 HydrophobicContact CD2-CD2 4.09Å; L1238-L1240 HydrophobicContact CD2-CG 4.45Å; L1238-L1240 HydrophobicContact CG-CD2 3.82Å; L1238-L1240 HydrophobicContact CG-CG 4.07Å |
| 1241 | E | 90.9 | Very high | 81.4 | Confident | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.019 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 147.9 | 167.5 | 69.7 | -177.5 | 119.4 | 0 | 0 | 111.7 | I1159 L1160 I1215 R1216 I1218 K1337 | I1159-E1241 HydrophobicContact CG2-CB 3.98Å; I1159-E1241 WeakPolarHBondContact CG2-OE2 3.5Å; L1160-E1241 HydrophobicContact CD2-CB 4.47Å; I1215-E1241 HydrophobicContact CD1-CG 3.47Å; I1215-E1241 VanDerWaalsContact CD1-CG 3.47Å; I1215-E1241 HydrophobicContact CG1-CG 4.28Å; R1216-E1241 HydrophobicContact CB-CG 4.47Å; R1216-E1241 VanDerWaalsContact CB-OE1 3.29Å; R1216-E1241 WeakPolarHBondContact CB-OE1 3.33Å; R1216-E1241 WeakPolarHBondContact CG-OE1 3.22Å; R1216-E1241 PolarHBondContact N-OE1 3.1Å; R1216-E1241 PolarHBondContact O-N 2.98Å; I1218-E1241 HydrophobicContact CD1-CB 4.32Å; E1241-K1337 VanDerWaalsContact CD-CE 3.47Å; E1241-K1337 VanDerWaalsContact CD-NZ 3.3Å; E1241-K1337 WeakPolarHBondContact OE1-CE 3.44Å; E1241-K1337 IonicContact OE1-NZ 3.26Å; E1241-K1337 PolarHBondContact OE1-NZ 2.98Å; E1241-K1337 WeakPolarHBondContact OE2-CE 3.29Å; E1241-K1337 IonicContact OE2-NZ 3.9Å; E1241-K1337 PolarHBondContact OE2-NZ 2.84Å; E1241-K1337 VanDerWaalsContact OE2-NZ 3.16Å |
| 1242 | C | 89.8 | Confident | 83.6 | Confident | 15 Ų | 15 | 23.5 Ų | 23.5 | 10% | 0.101 | 13% | 0.128 | C | C | . | . | trans | -92.2 | 109.2 | -179.7 | -171.1 | 0 | 0 | 0 | 0 | 112.3 | I1169 K1244 | I1169-C1242 HydrophobicContact CB-CB 4.15Å; I1169-C1242 HydrophobicContact CG2-CB 3.74Å; I1169-C1242 VanDerWaalsContact CG2-SG 3.6Å; I1169-C1242 WeakPolarHBondContact O-CB 3.45Å; C1242-K1244 PolarHBondContact O-N 2.89Å | ||
| 1243 | C | 90.3 | Very high | 85.3 | Confident | 15 Ų | 15 | 25.9 Ų | 25.9 | 10% | 0.101 | 13% | 0.134 | C | C | . | . | trans | -80.7 | 99.7 | 175 | -69.9 | 0 | 0 | 0 | 0 | 112 | I1215 Y1245 K1246 L1329 I1330 | I1215-C1243 VanDerWaalsContact CD1-SG 3.57Å; C1243-Y1245 PolarHBondContact O-N 3.41Å; C1243-K1246 PolarHBondContact O-N 3.19Å; C1243-K1246 VanDerWaalsContact O-N 3.12Å; C1243-L1329 HydrophobicContact CB-CB 3.71Å; C1243-L1329 HydrophobicContact CB-CD1 4.39Å; C1243-I1330 CarbonylContact C-O 3.57Å; C1243-I1330 WeakPolarHBondContact CB-O 3.14Å | ||
| 1244 | K | 85.6 | Confident | 86.7 | Confident | 101 Ų | 101 | 25.4 Ų | 25.4 | 44% | 0.439 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -42.4 | -43.7 | -174.1 | -172 | 177.2 | 168.7 | -162.3 | 0 | 114.8 | L1161 C1242 H1332 | L1161-K1244 HydrophobicContact CD1-CB 4.05Å; C1242-K1244 PolarHBondContact O-N 2.89Å; K1244-H1332 HydrophobicContact CB-CB 4.02Å; K1244-H1332 HydrophobicContact CD-CB 4.15Å |
| 1245 | Y | 87.2 | Confident | 87.9 | Confident | 17 Ų | 17 | 23.6 Ų | 23.6 | 7% | 0.067 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 16.9 | -169.5 | -49.9 | -68.2 | 0 | 0 | 0 | 114.4 | C1243 F1251 L1289 I1330 N1331 Y1334 | C1243-Y1245 PolarHBondContact O-N 3.41Å; Y1245-F1251 HydrophobicContact CD2-CE2 4.2Å; Y1245-F1251 HydrophobicContact CG-CD2 4.2Å; Y1245-F1251 HydrophobicContact CG-CE2 4.08Å; Y1245-L1289 HydrophobicContact CD1-CD2 3.61Å; Y1245-L1289 HydrophobicContact CD1-CG 4.46Å; Y1245-L1289 HydrophobicContact CE1-CD2 4.02Å; Y1245-I1330 HydrophobicContact CD2-CG2 4.05Å; Y1245-I1330 PolarHBondContact N-O 3.49Å; Y1245-N1331 VanDerWaalsContact CD2-O 3.24Å; Y1245-N1331 WeakPolarHBondContact CD2-O 3.35Å; Y1245-N1331 WeakPolarHBondContact CE2-O 3.04Å; Y1245-Y1334 AromaticContact CD2-CD1 3.93Å; Y1245-Y1334 HydrophobicContact CD2-CD1 3.93Å; Y1245-Y1334 AromaticContact CD2-CE1 3.86Å; Y1245-Y1334 HydrophobicContact CD2-CE1 3.86Å; Y1245-Y1334 HydrophobicContact CE1-CE1 4.39Å; Y1245-Y1334 AromaticContact CE2-CD1 3.59Å; Y1245-Y1334 HydrophobicContact CE2-CD1 3.59Å; Y1245-Y1334 AromaticContact CE2-CE1 3.2Å; Y1245-Y1334 HydrophobicContact CE2-CE1 3.2Å; Y1245-Y1334 HydrophobicContact CE2-CG 4.41Å; Y1245-Y1334 AromaticContact CE2-CZ 3.76Å; Y1245-Y1334 AromaticContact CZ-CE1 3.52Å; Y1245-Y1334 AromaticContact CZ-CZ 3.8Å; Y1245-Y1334 PolarHBondContact OH-OH 3.15Å |
| 1246 | K | 89.8 | Confident | 88.5 | Confident | 79 Ų | 79 | 22.9 Ų | 22.9 | 34% | 0.343 | 11% | 0.114 | S | C | . | . | trans | 62.7 | -143.3 | 177.1 | -43.3 | 173.2 | -153.9 | 147.7 | 0 | 110.1 | C1243 H1250 D1285 L1329 I1330 | C1243-K1246 PolarHBondContact O-N 3.19Å; C1243-K1246 VanDerWaalsContact O-N 3.12Å; K1246-H1250 PolarHBondContact NZ-NE2 3.48Å; K1246-D1285 IonicContact NZ-OD1 3.55Å; K1246-D1285 PolarHBondContact NZ-OD1 2.78Å; K1246-L1329 CarbonylContact O-C 3.07Å; K1246-L1329 WeakPolarHBondContact O-CA 3.34Å; K1246-I1330 PolarHBondContact O-N 2.89Å | ||
| 1247 | S | 93.4 | Very high | 88.2 | Confident | 27 Ų | 27 | 26.2 Ų | 26.2 | 19% | 0.189 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -79.4 | 154.8 | -178.4 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | A1249 H1250 F1251 R1326 I1328 | S1247-A1249 PolarHBondContact O-N 3.24Å; S1247-H1250 WeakPolarHBondContact O-CB 3.34Å; S1247-H1250 PolarHBondContact O-N 2.88Å; S1247-H1250 PolarHBondContact OG-N 2.89Å; S1247-F1251 PolarHBondContact O-N 2.83Å; S1247-R1326 VanDerWaalsContact CB-O 3.23Å; S1247-R1326 WeakPolarHBondContact CB-O 3.38Å; S1247-I1328 CarbonylContact C-O 3.58Å; S1247-I1328 WeakPolarHBondContact CA-O 3.41Å |
| 1248 | L | 95 | Very high | 87.3 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.2 | -39.9 | 173.7 | 177.2 | 59.5 | 0 | 0 | 0 | 111.1 | H1250 F1251 I1252 F1302 I1306 T1325 I1328 I1330 L1415 | L1248-H1250 VanDerWaalsContact C-N 3.35Å; L1248-H1250 PolarHBondContact O-N 2.96Å; L1248-F1251 WeakPolarHBondContact O-CB 3.37Å; L1248-F1251 PolarHBondContact O-N 3.15Å; L1248-F1251 VanDerWaalsContact O-N 3.14Å; L1248-I1252 HydrophobicContact CD1-CD1 4.04Å; L1248-I1252 HydrophobicContact CD1-CG1 3.65Å; L1248-I1252 HydrophobicContact CG-CG1 4.2Å; L1248-I1252 WeakPolarHBondContact O-CG1 3.26Å; L1248-I1252 PolarHBondContact O-N 2.97Å; L1248-F1302 HydrophobicContact CD1-CD2 3.76Å; L1248-F1302 HydrophobicContact CD1-CE2 4.11Å; L1248-F1302 HydrophobicContact CD1-CG 4.1Å; L1248-I1306 HydrophobicContact CD2-CD1 3.81Å; L1248-T1325 HydrophobicContact CD2-CG2 4.42Å; L1248-T1325 PolarHBondContact N-O 3.01Å; L1248-I1328 HydrophobicContact CB-CB 3.95Å; L1248-I1328 HydrophobicContact CB-CG2 4.1Å; L1248-I1328 HydrophobicContact CD2-CB 4.25Å; L1248-I1328 HydrophobicContact CD2-CG2 4.16Å; L1248-I1328 PolarHBondContact N-O 3.17Å; L1248-I1330 HydrophobicContact CB-CD1 3.98Å; L1248-I1330 HydrophobicContact CB-CG1 4.15Å; L1248-I1330 HydrophobicContact CD1-CD1 3.84Å; L1248-I1330 HydrophobicContact CD1-CG1 4.31Å; L1248-I1330 HydrophobicContact CG-CD1 4.41Å; L1248-L1415 HydrophobicContact CD1-CD1 4.13Å; L1248-L1415 HydrophobicContact CD2-CD1 4.12Å; L1248-L1415 HydrophobicContact CD2-CD2 4.5Å; L1248-L1415 HydrophobicContact CG-CD1 4.29Å |
| 1249 | A | 92.8 | Very high | 86.2 | Confident | 10 Ų | 10 | 29.1 Ų | 29.1 | 8% | 0.083 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -52.9 | -49.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1247 Q1253 T1325 E1419 | S1247-A1249 PolarHBondContact O-N 3.24Å; A1249-Q1253 WeakPolarHBondContact O-CB 3.28Å; A1249-Q1253 WeakPolarHBondContact O-CG 3.43Å; A1249-Q1253 PolarHBondContact O-N 2.96Å; A1249-Q1253 VanDerWaalsContact O-N 3.12Å; A1249-T1325 PolarHBondContact N-O 3.46Å; A1249-T1325 VanDerWaalsContact N-O 3.13Å; A1249-E1419 VanDerWaalsContact CA-CD 3.45Å; A1249-E1419 WeakPolarHBondContact CA-OE2 3.49Å; A1249-E1419 VanDerWaalsContact CB-OE2 3.24Å; A1249-E1419 WeakPolarHBondContact CB-OE2 3.21Å |
| 1250 | H | 90.1 | Very high | 84.8 | Confident | 54 Ų | 54 | 30.2 Ų | 30.2 | 25% | 0.25 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 175.8 | -177.5 | 63.2 | 0 | 0 | 0 | 112 | K1246 S1247 L1248 Q1253 C1254 | K1246-H1250 PolarHBondContact NZ-NE2 3.48Å; S1247-H1250 WeakPolarHBondContact O-CB 3.34Å; S1247-H1250 PolarHBondContact O-N 2.88Å; S1247-H1250 PolarHBondContact OG-N 2.89Å; L1248-H1250 VanDerWaalsContact C-N 3.35Å; L1248-H1250 PolarHBondContact O-N 2.96Å; H1250-Q1253 PolarHBondContact O-N 2.84Å; H1250-C1254 PolarHBondContact O-N 2.72Å; H1250-C1254 PolarHBondContact O-SG 2.86Å |
| 1251 | F | 91.5 | Very high | 82.9 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.3 | -47.2 | -179 | -171.3 | -97.5 | 0 | 0 | 0 | 112.7 | Y1245 S1247 L1248 C1254 H1255 Y1292 F1302 I1330 Y1334 | Y1245-F1251 HydrophobicContact CD2-CE2 4.2Å; Y1245-F1251 HydrophobicContact CG-CD2 4.2Å; Y1245-F1251 HydrophobicContact CG-CE2 4.08Å; S1247-F1251 PolarHBondContact O-N 2.83Å; L1248-F1251 WeakPolarHBondContact O-CB 3.37Å; L1248-F1251 PolarHBondContact O-N 3.15Å; L1248-F1251 VanDerWaalsContact O-N 3.14Å; F1251-C1254 WeakPolarHBondContact O-CB 3.37Å; F1251-C1254 PolarHBondContact O-N 3.45Å; F1251-H1255 AromaticContact CD1-ND1 3.87Å; F1251-H1255 AromaticContact CD2-CE1 3.54Å; F1251-H1255 AromaticContact CD2-ND1 3.78Å; F1251-H1255 AromaticContact CE1-ND1 3.75Å; F1251-H1255 AromaticContact CE2-CE1 3.23Å; F1251-H1255 WeakPolarHBondContact CE2-CE1 3.21Å; F1251-H1255 AromaticContact CE2-ND1 3.71Å; F1251-H1255 AromaticContact CG-ND1 3.88Å; F1251-H1255 AromaticContact CZ-CE1 3.53Å; F1251-H1255 AromaticContact CZ-ND1 3.69Å; F1251-H1255 PolarHBondContact O-N 2.97Å; F1251-H1255 VanDerWaalsContact O-N 3.1Å; F1251-H1255 PolarHBondContact O-ND1 2.77Å; F1251-Y1292 AromaticContact CE1-CD1 3.96Å; F1251-Y1292 HydrophobicContact CE1-CD1 3.96Å; F1251-Y1292 AromaticContact CE1-CE1 3.52Å; F1251-Y1292 HydrophobicContact CE1-CE1 3.52Å; F1251-Y1292 AromaticContact CZ-CD1 3.48Å; F1251-Y1292 HydrophobicContact CZ-CD1 3.48Å; F1251-Y1292 VanDerWaalsContact CZ-CD1 3.48Å; F1251-Y1292 AromaticContact CZ-CE1 3.44Å; F1251-Y1292 HydrophobicContact CZ-CE1 3.44Å; F1251-Y1292 VanDerWaalsContact CZ-CE1 3.44Å; F1251-Y1292 HydrophobicContact CZ-CG 4.09Å; F1251-F1302 HydrophobicContact CD1-CE2 4.14Å; F1251-F1302 HydrophobicContact CD1-CZ 4.06Å; F1251-F1302 AromaticContact CE1-CE2 3.95Å; F1251-F1302 HydrophobicContact CE1-CE2 3.95Å; F1251-F1302 AromaticContact CE1-CZ 3.58Å; F1251-F1302 HydrophobicContact CE1-CZ 3.58Å; F1251-F1302 HydrophobicContact CZ-CZ 4.42Å; F1251-I1330 HydrophobicContact CB-CG1 4.07Å; F1251-I1330 HydrophobicContact CD2-CG2 4.23Å; F1251-I1330 HydrophobicContact CE2-CG2 4.29Å; F1251-I1330 HydrophobicContact CG-CG1 4.2Å; F1251-Y1334 AromaticContact CE2-CD1 3.78Å; F1251-Y1334 HydrophobicContact CE2-CD1 3.78Å; F1251-Y1334 AromaticContact CE2-CE1 3.93Å; F1251-Y1334 HydrophobicContact CE2-CE1 3.93Å; F1251-Y1334 AromaticContact CZ-CD1 3.6Å; F1251-Y1334 HydrophobicContact CZ-CD1 3.6Å; F1251-Y1334 AromaticContact CZ-CE1 3.95Å; F1251-Y1334 HydrophobicContact CZ-CE1 3.95Å |
| 1252 | I | 91 | Very high | 81 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.3 | -39.3 | 178.6 | -63.1 | -67.2 | 0 | 0 | 0 | 110.7 | L1248 C1254 H1255 S1256 L1294 F1302 L1415 L1418 E1419 | L1248-I1252 HydrophobicContact CD1-CD1 4.04Å; L1248-I1252 HydrophobicContact CD1-CG1 3.65Å; L1248-I1252 HydrophobicContact CG-CG1 4.2Å; L1248-I1252 WeakPolarHBondContact O-CG1 3.26Å; L1248-I1252 PolarHBondContact O-N 2.97Å; I1252-C1254 PolarHBondContact O-N 3.16Å; I1252-H1255 PolarHBondContact O-N 3.48Å; I1252-S1256 WeakPolarHBondContact O-CB 3.43Å; I1252-S1256 PolarHBondContact O-N 2.7Å; I1252-S1256 PolarHBondContact O-OG 2.78Å; I1252-L1294 HydrophobicContact CD1-CD1 3.74Å; I1252-L1294 HydrophobicContact CD1-CD2 3.78Å; I1252-L1294 HydrophobicContact CD1-CG 4.43Å; I1252-F1302 HydrophobicContact CD1-CD2 4.27Å; I1252-F1302 HydrophobicContact CD1-CE2 4.07Å; I1252-L1415 HydrophobicContact CD1-CD1 3.75Å; I1252-L1415 HydrophobicContact CG1-CD1 3.79Å; I1252-L1418 VanDerWaalsContact CG2-C 3.49Å; I1252-L1418 HydrophobicContact CG2-CB 4.2Å; I1252-L1418 HydrophobicContact CG2-CD2 4.34Å; I1252-E1419 HydrophobicContact CB-CG 3.84Å; I1252-E1419 HydrophobicContact CG2-CB 4.2Å; I1252-E1419 HydrophobicContact CG2-CG 3.79Å |
| 1253 | Q | 86.4 | Confident | 79 | Confident | 109 Ų | 109 | 39.9 Ų | 39.9 | 51% | 0.509 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.7 | -28.2 | 173.2 | -70.6 | 172.3 | 30.8 | 0 | 0 | 112.9 | A1249 H1250 E1419 | A1249-Q1253 WeakPolarHBondContact O-CB 3.28Å; A1249-Q1253 WeakPolarHBondContact O-CG 3.43Å; A1249-Q1253 PolarHBondContact O-N 2.96Å; A1249-Q1253 VanDerWaalsContact O-N 3.12Å; H1250-Q1253 PolarHBondContact O-N 2.84Å; Q1253-E1419 HydrophobicContact CG-CB 3.53Å; Q1253-E1419 HydrophobicContact CG-CG 4.09Å; Q1253-E1419 PolarHBondContact NE2-OE2 2.9Å |
| 1254 | C | 81.9 | Confident | 76.6 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 10% | 0.095 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -75.8 | -47.6 | 173.5 | -71.6 | 0 | 0 | 0 | 0 | 112.9 | H1250 F1251 I1252 H1257 M1281 | H1250-C1254 PolarHBondContact O-N 2.72Å; H1250-C1254 PolarHBondContact O-SG 2.86Å; F1251-C1254 WeakPolarHBondContact O-CB 3.37Å; F1251-C1254 PolarHBondContact O-N 3.45Å; I1252-C1254 PolarHBondContact O-N 3.16Å; C1254-H1257 PolarHBondContact O-CE1 2.95Å; C1254-H1257 VanDerWaalsContact O-CE1 3.24Å; C1254-H1257 PolarHBondContact O-ND1 3.28Å; C1254-M1281 HydrophobicContact CB-CE 4.37Å |
| 1255 | H | 83 | Confident | 74.4 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.032 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -96.4 | -19.3 | -169.1 | -57.8 | 93.7 | 0 | 0 | 0 | 115.4 | F1251 I1252 H1257 Q1258 L1294 | F1251-H1255 AromaticContact CD1-ND1 3.87Å; F1251-H1255 AromaticContact CD2-CE1 3.54Å; F1251-H1255 AromaticContact CD2-ND1 3.78Å; F1251-H1255 AromaticContact CE1-ND1 3.75Å; F1251-H1255 AromaticContact CE2-CE1 3.23Å; F1251-H1255 WeakPolarHBondContact CE2-CE1 3.21Å; F1251-H1255 AromaticContact CE2-ND1 3.71Å; F1251-H1255 AromaticContact CG-ND1 3.88Å; F1251-H1255 AromaticContact CZ-CE1 3.53Å; F1251-H1255 AromaticContact CZ-ND1 3.69Å; F1251-H1255 PolarHBondContact O-N 2.97Å; F1251-H1255 VanDerWaalsContact O-N 3.1Å; F1251-H1255 PolarHBondContact O-ND1 2.77Å; I1252-H1255 PolarHBondContact O-N 3.48Å; H1255-H1257 PolarHBondContact O-N 2.53Å; H1255-Q1258 WeakPolarHBondContact O-CB 3.3Å; H1255-Q1258 WeakPolarHBondContact O-CG 3.29Å; H1255-Q1258 PolarHBondContact O-N 3.44Å; H1255-Q1258 PolarHBondContact O-OE1 3Å; H1255-L1294 HydrophobicContact CB-CB 3.78Å; H1255-L1294 HydrophobicContact CB-CD2 4.28Å |
| 1256 | S | 80.4 | Confident | 72.1 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -26.9 | -174.9 | 48.2 | 0 | 0 | 0 | 0 | 115.3 | I1252 Q1258 M1259 I1260 | I1252-S1256 WeakPolarHBondContact O-CB 3.43Å; I1252-S1256 PolarHBondContact O-N 2.7Å; I1252-S1256 PolarHBondContact O-OG 2.78Å; S1256-Q1258 PolarHBondContact O-N 2.8Å; S1256-M1259 PolarHBondContact O-N 2.77Å; S1256-M1259 VanDerWaalsContact O-N 3.14Å; S1256-I1260 VanDerWaalsContact O-CG1 3.32Å; S1256-I1260 WeakPolarHBondContact O-CG1 3.29Å; S1256-I1260 PolarHBondContact O-N 3.44Å |
| 1257 | H | 71.3 | Confident | 69.7 | Low | 76 Ų | 76 | 55.2 Ų | 55.2 | 35% | 0.352 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -55.5 | -35 | 174 | 71.9 | -85.9 | 0 | 0 | 0 | 112.9 | C1254 H1255 M1259 I1260 D1261 M1276 | C1254-H1257 PolarHBondContact O-CE1 2.95Å; C1254-H1257 VanDerWaalsContact O-CE1 3.24Å; C1254-H1257 PolarHBondContact O-ND1 3.28Å; H1255-H1257 PolarHBondContact O-N 2.53Å; H1257-M1259 VanDerWaalsContact C-N 3.31Å; H1257-M1259 PolarHBondContact O-N 2.99Å; H1257-I1260 PolarHBondContact O-N 2.84Å; H1257-D1261 WeakPolarHBondContact O-CB 3.34Å; H1257-D1261 PolarHBondContact O-N 3.2Å; H1257-M1276 HydrophobicContact CB-CE 3.83Å; H1257-M1276 HydrophobicContact CB-SD 3.98Å |
| 1258 | Q | 68.4 | Low | 67.1 | Low | 53 Ų | 53 | 58.2 Ų | 58.2 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.1 | -32 | 179.3 | -59.9 | 167.6 | -24 | 0 | 0 | 113.2 | H1255 S1256 S1262 Y1292 | H1255-Q1258 WeakPolarHBondContact O-CB 3.3Å; H1255-Q1258 WeakPolarHBondContact O-CG 3.29Å; H1255-Q1258 PolarHBondContact O-N 3.44Å; H1255-Q1258 PolarHBondContact O-OE1 3Å; S1256-Q1258 PolarHBondContact O-N 2.8Å; Q1258-S1262 PolarHBondContact O-OG 3.23Å; Q1258-Y1292 PolarHBondContact NE2-O 2.74Å; Q1258-Y1292 PolarHBondContact OE1-O 2.82Å |
| 1259 | M | 68.2 | Low | 64.5 | Low | 9 Ų | 9 | 59 Ų | 59 | 4% | 0.044 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -83.2 | -40.4 | 175.4 | -71 | -174.1 | 64 | 0 | 0 | 111.2 | S1256 H1257 S1262 L1263 L1294 V1296 I1299 L1418 L1481 | S1256-M1259 PolarHBondContact O-N 2.77Å; S1256-M1259 VanDerWaalsContact O-N 3.14Å; H1257-M1259 VanDerWaalsContact C-N 3.31Å; H1257-M1259 PolarHBondContact O-N 2.99Å; M1259-S1262 WeakPolarHBondContact CA-OG 3.33Å; M1259-S1262 CarbonylContact O-C 3.56Å; M1259-S1262 PolarHBondContact O-N 3.11Å; M1259-S1262 PolarHBondContact O-OG 2.87Å; M1259-L1263 WeakPolarHBondContact O-CG 3.5Å; M1259-L1263 PolarHBondContact O-N 3.15Å; M1259-L1294 HydrophobicContact CG-CB 4.42Å; M1259-L1294 HydrophobicContact CG-CG 4.4Å; M1259-L1294 VanDerWaalsContact CG-O 3.23Å; M1259-L1294 WeakPolarHBondContact CG-O 3.38Å; M1259-L1294 HydrophobicContact SD-CB 4.35Å; M1259-L1294 HydrophobicContact SD-CD2 3.87Å; M1259-L1294 HydrophobicContact SD-CG 3.73Å; M1259-V1296 HydrophobicContact CE-CB 4.49Å; M1259-V1296 HydrophobicContact CE-CG2 3.59Å; M1259-I1299 HydrophobicContact CE-CD1 3.92Å; M1259-I1299 HydrophobicContact SD-CD1 3.77Å; M1259-L1418 HydrophobicContact CB-CD1 4.46Å; M1259-L1418 HydrophobicContact SD-CD2 4.29Å; M1259-L1481 HydrophobicContact CE-CD1 3.79Å; M1259-L1481 HydrophobicContact CE-CD2 4.39Å |
| 1260 | I | 61.9 | Low | 62.1 | Low | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 178.7 | -66.8 | 165.5 | 0 | 0 | 0 | 110.5 | S1256 H1257 S1262 L1263 M1264 L1418 K1420 | S1256-I1260 VanDerWaalsContact O-CG1 3.32Å; S1256-I1260 WeakPolarHBondContact O-CG1 3.29Å; S1256-I1260 PolarHBondContact O-N 3.44Å; H1257-I1260 PolarHBondContact O-N 2.84Å; I1260-S1262 PolarHBondContact O-N 3.26Å; I1260-S1262 VanDerWaalsContact O-N 3.08Å; I1260-L1263 PolarHBondContact O-N 3.28Å; I1260-M1264 HydrophobicContact CG2-CE 4.01Å; I1260-M1264 HydrophobicContact CG2-CG 4.09Å; I1260-M1264 HydrophobicContact CG2-SD 3.41Å; I1260-M1264 WeakPolarHBondContact CG2-SD 3.45Å; I1260-M1264 WeakPolarHBondContact O-CB 3.4Å; I1260-M1264 PolarHBondContact O-N 3Å; I1260-M1264 VanDerWaalsContact O-N 3.13Å; I1260-L1418 HydrophobicContact CD1-CD1 4.43Å; I1260-L1418 HydrophobicContact CG1-CD1 4.09Å; I1260-K1420 VanDerWaalsContact CD1-CE 3.46Å |
| 1261 | D | 52.7 | Low | 59.6 | Low | 48 Ų | 48 | 64.2 Ų | 64.2 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -10.2 | 175.6 | -78.1 | 13.8 | 0 | 0 | 0 | 113.4 | H1257 V1269 T1272 K1273 | H1257-D1261 WeakPolarHBondContact O-CB 3.34Å; H1257-D1261 PolarHBondContact O-N 3.2Å; D1261-V1269 HydrophobicContact CB-CG1 4.5Å; D1261-V1269 HydrophobicContact CB-CG2 4.42Å; D1261-T1272 PolarHBondContact OD1-OG1 2.67Å; D1261-K1273 VanDerWaalsContact OD2-CE 3.3Å; D1261-K1273 WeakPolarHBondContact OD2-CE 3.4Å; D1261-K1273 IonicContact OD2-NZ 2.71Å |
| 1262 | S | 50.3 | Low | 57.1 | Low | 77 Ų | 77 | 65.1 Ų | 65.1 | 54% | 0.538 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 1 | 172.6 | 65.3 | 0 | 0 | 0 | 0 | 114.5 | Q1258 M1259 I1260 | Q1258-S1262 PolarHBondContact O-OG 3.23Å; M1259-S1262 WeakPolarHBondContact CA-OG 3.33Å; M1259-S1262 CarbonylContact O-C 3.56Å; M1259-S1262 PolarHBondContact O-N 3.11Å; M1259-S1262 PolarHBondContact O-OG 2.87Å; I1260-S1262 PolarHBondContact O-N 3.26Å; I1260-S1262 VanDerWaalsContact O-N 3.08Å |
| 1263 | L | 47.4 | Very low | 54.7 | Low | 111 Ų | 111 | 70.9 Ų | 70.9 | 58% | 0.581 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | 3.6 | -179.7 | -69.5 | 168.2 | 0 | 0 | 0 | 112.3 | M1259 I1260 L1481 | M1259-L1263 WeakPolarHBondContact O-CG 3.5Å; M1259-L1263 PolarHBondContact O-N 3.15Å; I1260-L1263 PolarHBondContact O-N 3.28Å; L1263-L1481 HydrophobicContact CD1-CD2 3.98Å |
| 1264 | M | 40.7 | Very low | 52.6 | Low | 70 Ų | 70 | 71.7 Ų | 71.7 | 35% | 0.345 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -123.5 | 147.3 | -177.5 | -80.5 | -171.1 | 164.8 | 0 | 0 | 110.4 | I1260 E1268 V1269 T1272 | I1260-M1264 HydrophobicContact CG2-CE 4.01Å; I1260-M1264 HydrophobicContact CG2-CG 4.09Å; I1260-M1264 HydrophobicContact CG2-SD 3.41Å; I1260-M1264 WeakPolarHBondContact CG2-SD 3.45Å; I1260-M1264 WeakPolarHBondContact O-CB 3.4Å; I1260-M1264 PolarHBondContact O-N 3Å; I1260-M1264 VanDerWaalsContact O-N 3.13Å; M1264-E1268 WeakPolarHBondContact CA-OE2 3.25Å; M1264-E1268 HydrophobicContact CB-CB 3.97Å; M1264-E1268 WeakPolarHBondContact CB-OE2 3.46Å; M1264-E1268 HydrophobicContact CG-CB 4.38Å; M1264-E1268 HydrophobicContact SD-CB 4.19Å; M1264-V1269 HydrophobicContact CB-CG2 4.19Å; M1264-T1272 HydrophobicContact SD-CG2 4.09Å |
| 1265 | N | 39.8 | Very low | 50.4 | Low | 114 Ų | 114 | 76.9 Ų | 76.9 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | trans | -71.2 | 157.9 | 179.8 | -97.1 | -8.2 | 0 | 0 | 0 | 111.6 | E1267 E1268 V1269 | N1265-E1267 PolarHBondContact O-N 2.79Å; N1265-E1268 PolarHBondContact N-OE2 2.77Å; N1265-E1268 WeakPolarHBondContact O-CA 3.32Å; N1265-E1268 WeakPolarHBondContact O-CB 3.21Å; N1265-E1268 PolarHBondContact O-N 3.4Å; N1265-V1269 PolarHBondContact O-N 2.99Å; N1265-V1269 VanDerWaalsContact O-N 3.11Å | ||
| 1266 | Y | 38.8 | Very low | 48.4 | Very low | 189 Ų | 189 | 78.7 Ų | 78.7 | 74% | 0.741 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -54.3 | -34.4 | -172.2 | -167.2 | -88.1 | 0 | 0 | 0 | 113.7 | V1269 Q1270 | Y1266-V1269 PolarHBondContact O-N 3.13Å; Y1266-Q1270 HydrophobicContact CE1-CG 4.42Å; Y1266-Q1270 PolarHBondContact O-N 3.42Å |
| 1267 | E | 38.2 | Very low | 46.6 | Very low | 162 Ų | 162 | 87.4 Ų | 87.4 | 76% | 0.757 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66.5 | -38.7 | 175 | -58.6 | -165.6 | 130.6 | 0 | 0 | 113.2 | N1265 Q1270 L1271 | N1265-E1267 PolarHBondContact O-N 2.79Å; E1267-Q1270 PolarHBondContact O-N 3.4Å; E1267-L1271 PolarHBondContact O-N 2.81Å |
| 1268 | E | 40 | Very low | 45.1 | Very low | 89 Ų | 89 | 90.2 Ų | 90.2 | 42% | 0.416 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.3 | -37.5 | 176.8 | -62.1 | -177.3 | 115.2 | 0 | 0 | 111 | M1264 N1265 Q1270 L1271 T1272 | M1264-E1268 WeakPolarHBondContact CA-OE2 3.25Å; M1264-E1268 HydrophobicContact CB-CB 3.97Å; M1264-E1268 WeakPolarHBondContact CB-OE2 3.46Å; M1264-E1268 HydrophobicContact CG-CB 4.38Å; M1264-E1268 HydrophobicContact SD-CB 4.19Å; N1265-E1268 PolarHBondContact N-OE2 2.77Å; N1265-E1268 WeakPolarHBondContact O-CA 3.32Å; N1265-E1268 WeakPolarHBondContact O-CB 3.21Å; N1265-E1268 PolarHBondContact O-N 3.4Å; E1268-Q1270 VanDerWaalsContact C-N 3.29Å; E1268-Q1270 PolarHBondContact O-N 2.92Å; E1268-L1271 CarbonylContact O-C 3.59Å; E1268-L1271 WeakPolarHBondContact O-CB 3.49Å; E1268-L1271 PolarHBondContact O-N 3.45Å; E1268-L1271 VanDerWaalsContact O-N 3.08Å; E1268-T1272 PolarHBondContact O-N 2.91Å |
| 1269 | V | 41 | Very low | 43.8 | Very low | 16 Ų | 16 | 90.5 Ų | 90.5 | 10% | 0.097 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.4 | -31.6 | 176.9 | 175.9 | 0 | 0 | 0 | 0 | 112.3 | D1261 M1264 N1265 Y1266 T1272 K1273 | D1261-V1269 HydrophobicContact CB-CG1 4.5Å; D1261-V1269 HydrophobicContact CB-CG2 4.42Å; M1264-V1269 HydrophobicContact CB-CG2 4.19Å; N1265-V1269 PolarHBondContact O-N 2.99Å; N1265-V1269 VanDerWaalsContact O-N 3.11Å; Y1266-V1269 PolarHBondContact O-N 3.13Å; V1269-T1272 WeakPolarHBondContact CA-OG1 3.47Å; V1269-T1272 PolarHBondContact O-OG1 2.89Å; V1269-K1273 HydrophobicContact CG1-CD 4.04Å; V1269-K1273 VanDerWaalsContact CG1-NZ 3.25Å; V1269-K1273 WeakPolarHBondContact O-CB 3.32Å; V1269-K1273 WeakPolarHBondContact O-CD 3.45Å; V1269-K1273 VanDerWaalsContact O-CG 3.3Å; V1269-K1273 WeakPolarHBondContact O-CG 3.25Å; V1269-K1273 PolarHBondContact O-N 3.38Å |
| 1270 | Q | 40.5 | Very low | 42.5 | Very low | 89 Ų | 89 | 98.9 Ų | 98.9 | 42% | 0.416 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 170.8 | -71 | -71.6 | -1.2 | 0 | 0 | 111.4 | Y1266 E1267 E1268 F1274 | Y1266-Q1270 HydrophobicContact CE1-CG 4.42Å; Y1266-Q1270 PolarHBondContact O-N 3.42Å; E1267-Q1270 PolarHBondContact O-N 3.4Å; E1268-Q1270 VanDerWaalsContact C-N 3.29Å; E1268-Q1270 PolarHBondContact O-N 2.92Å; Q1270-F1274 PolarHBondContact O-N 2.97Å; Q1270-F1274 VanDerWaalsContact O-N 3.12Å |
| 1271 | L | 39.3 | Very low | 41.4 | Very low | 85 Ų | 85 | 100.5 Ų | 100.5 | 45% | 0.445 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 177.3 | -76.7 | 159.8 | 0 | 0 | 0 | 112.4 | E1267 E1268 K1273 F1274 Y1275 | E1267-L1271 PolarHBondContact O-N 2.81Å; E1268-L1271 CarbonylContact O-C 3.59Å; E1268-L1271 WeakPolarHBondContact O-CB 3.49Å; E1268-L1271 PolarHBondContact O-N 3.45Å; E1268-L1271 VanDerWaalsContact O-N 3.08Å; L1271-K1273 PolarHBondContact O-N 3.04Å; L1271-F1274 PolarHBondContact O-N 3.48Å; L1271-Y1275 HydrophobicContact CD2-CE2 4.22Å; L1271-Y1275 VanDerWaalsContact O-CD2 3.24Å; L1271-Y1275 WeakPolarHBondContact O-CD2 3.37Å; L1271-Y1275 PolarHBondContact O-N 3.37Å; L1271-Y1275 VanDerWaalsContact O-N 3.11Å |
| 1272 | T | 38.2 | Very low | 40.8 | Very low | 20 Ų | 20 | 102.4 Ų | 102.4 | 12% | 0.123 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 176.6 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | D1261 M1264 E1268 V1269 F1274 Y1275 M1276 | D1261-T1272 PolarHBondContact OD1-OG1 2.67Å; M1264-T1272 HydrophobicContact SD-CG2 4.09Å; E1268-T1272 PolarHBondContact O-N 2.91Å; V1269-T1272 WeakPolarHBondContact CA-OG1 3.47Å; V1269-T1272 PolarHBondContact O-OG1 2.89Å; T1272-F1274 VanDerWaalsContact C-N 3.31Å; T1272-F1274 PolarHBondContact O-N 3.01Å; T1272-Y1275 PolarHBondContact O-N 3.49Å; T1272-M1276 WeakPolarHBondContact O-CB 3.26Å; T1272-M1276 VanDerWaalsContact O-CG 3.32Å; T1272-M1276 WeakPolarHBondContact O-CG 3.37Å; T1272-M1276 PolarHBondContact O-N 2.68Å |
| 1273 | K | 40.3 | Very low | 40.3 | Very low | 121 Ų | 121 | 101.3 Ų | 101.3 | 53% | 0.526 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62 | -35.4 | 177.5 | -74.8 | 169.4 | -177.2 | 165.5 | 0 | 112.8 | D1261 V1269 L1271 | D1261-K1273 VanDerWaalsContact OD2-CE 3.3Å; D1261-K1273 WeakPolarHBondContact OD2-CE 3.4Å; D1261-K1273 IonicContact OD2-NZ 2.71Å; V1269-K1273 HydrophobicContact CG1-CD 4.04Å; V1269-K1273 VanDerWaalsContact CG1-NZ 3.25Å; V1269-K1273 WeakPolarHBondContact O-CB 3.32Å; V1269-K1273 WeakPolarHBondContact O-CD 3.45Å; V1269-K1273 VanDerWaalsContact O-CG 3.3Å; V1269-K1273 WeakPolarHBondContact O-CG 3.25Å; V1269-K1273 PolarHBondContact O-N 3.38Å; L1271-K1273 PolarHBondContact O-N 3.04Å |
| 1274 | F | 42.2 | Very low | 40 | Very low | 127 Ų | 127 | 101.6 Ų | 101.6 | 56% | 0.557 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.2 | -43.8 | 173.6 | -131.5 | -90.1 | 0 | 0 | 0 | 112.2 | Q1270 L1271 T1272 | Q1270-F1274 PolarHBondContact O-N 2.97Å; Q1270-F1274 VanDerWaalsContact O-N 3.12Å; L1271-F1274 PolarHBondContact O-N 3.48Å; T1272-F1274 VanDerWaalsContact C-N 3.31Å; T1272-F1274 PolarHBondContact O-N 3.01Å |
| 1275 | Y | 36.1 | Very low | 40 | Very low | 123 Ų | 123 | 100.1 Ų | 100.1 | 48% | 0.482 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -83 | -19.8 | -177.3 | -73.6 | -65.7 | 0 | 0 | 0 | 115.3 | L1271 T1272 K1277 | L1271-Y1275 HydrophobicContact CD2-CE2 4.22Å; L1271-Y1275 VanDerWaalsContact O-CD2 3.24Å; L1271-Y1275 WeakPolarHBondContact O-CD2 3.37Å; L1271-Y1275 PolarHBondContact O-N 3.37Å; L1271-Y1275 VanDerWaalsContact O-N 3.11Å; T1272-Y1275 PolarHBondContact O-N 3.49Å; Y1275-K1277 PolarHBondContact O-N 3.4Å |
| 1276 | M | 41.1 | Very low | 40.1 | Very low | 45 Ų | 45 | 101.3 Ų | 101.3 | 22% | 0.222 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -0.2 | 178.5 | -76.1 | -163.2 | -171.4 | 0 | 0 | 114.8 | H1257 T1272 | H1257-M1276 HydrophobicContact CB-CE 3.83Å; H1257-M1276 HydrophobicContact CB-SD 3.98Å; T1272-M1276 WeakPolarHBondContact O-CB 3.26Å; T1272-M1276 VanDerWaalsContact O-CG 3.32Å; T1272-M1276 WeakPolarHBondContact O-CG 3.37Å; T1272-M1276 PolarHBondContact O-N 2.68Å |
| 1277 | K | 41.5 | Very low | 40.3 | Very low | 188 Ų | 188 | 98.9 Ų | 98.9 | 82% | 0.817 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -25.3 | 179.6 | -132.5 | 171.1 | -174.5 | 174.4 | 0 | 114 | Y1275 | Y1275-K1277 PolarHBondContact O-N 3.4Š|
| 1278 | D | 41.3 | Very low | 40.7 | Very low | 136 Ų | 136 | 95.7 Ų | 95.7 | 73% | 0.727 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -90 | -6.5 | -172.6 | -90.6 | -21.7 | 0 | 0 | 0 | 115.5 | ||
| 1279 | N | 40.8 | Very low | 41.1 | Very low | 59 Ų | 59 | 93.2 Ų | 93.2 | 32% | 0.316 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -82.8 | 135.7 | -173.4 | -98.4 | -53.1 | 0 | 0 | 0 | 113.6 | K385 M1281 | K385-N1279 WeakPolarHBondContact CD-OD1 3.14Å; N1279-M1281 VanDerWaalsContact C-N 3.28Å; N1279-M1281 PolarHBondContact O-N 2.87Å |
| 1280 | K | 40.7 | Very low | 41.2 | Very low | 185 Ų | 185 | 94.8 Ų | 94.8 | 80% | 0.804 | 47% | 0.469 | S | S | * | . | trans | -68.1 | 71.2 | 177.1 | -66.6 | -177.9 | 178.6 | 179.4 | 0 | 113.3 | ||||
| 1281 | M | 38.9 | Very low | 42.1 | Very low | 57 Ų | 57 | 98.6 Ų | 98.6 | 28% | 0.281 | 49% | 0.487 | S | S | . | . | trans | -91.8 | 143.1 | 152.6 | -65 | 177.3 | 88.6 | 0 | 0 | 108.1 | C1254 N1279 R1286 | C1254-M1281 HydrophobicContact CB-CE 4.37Å; N1279-M1281 VanDerWaalsContact C-N 3.28Å; N1279-M1281 PolarHBondContact O-N 2.87Å; M1281-R1286 HydrophobicContact CB-CG 4.48Å; M1281-R1286 HydrophobicContact CE-CG 3.86Å; M1281-R1286 HydrophobicContact SD-CG 3.95Å; M1281-R1286 PolarHBondContact SD-NE 2.73Å | ||
| 1282 | N | 39.2 | Very low | 43.6 | Very low | 88 Ų | 88 | 95.7 Ų | 95.7 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | trans | -72.8 | 139.4 | 162.7 | -75.1 | -21.3 | 0 | 0 | 0 | 107.3 | K512 N1284 D1285 | K512-N1282 PolarHBondContact NZ-OD1 2.9Å; N1282-N1284 PolarHBondContact O-N 3.29Å; N1282-N1284 VanDerWaalsContact O-N 3.08Å; N1282-D1285 WeakPolarHBondContact CB-OD2 3.2Å; N1282-D1285 PolarHBondContact O-N 2.96Å | ||
| 1283 | T | 40.5 | Very low | 45.3 | Very low | 54 Ų | 54 | 102.9 Ų | 102.9 | 33% | 0.331 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -19.3 | -178.6 | 47.9 | 0 | 0 | 0 | 0 | 112.7 | K510 R1286 I1287 | K510-T1283 PolarHBondContact NZ-OG1 2.95Å; T1283-R1286 PolarHBondContact O-N 2.91Å; T1283-I1287 WeakPolarHBondContact O-CD1 3.41Å; T1283-I1287 VanDerWaalsContact O-CG1 3.3Å; T1283-I1287 WeakPolarHBondContact O-CG1 3.5Å; T1283-I1287 PolarHBondContact O-N 2.9Å |
| 1284 | N | 42 | Very low | 47.3 | Very low | 117 Ų | 117 | 97.2 Ų | 97.2 | 63% | 0.626 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -71.2 | -34.2 | 176.4 | -55.7 | 23.6 | 0 | 0 | 0 | 111.6 | N1282 I1287 T1288 | N1282-N1284 PolarHBondContact O-N 3.29Å; N1282-N1284 VanDerWaalsContact O-N 3.08Å; N1284-I1287 PolarHBondContact O-N 3.39Å; N1284-T1288 WeakPolarHBondContact O-CG2 3.44Å; N1284-T1288 PolarHBondContact O-N 3.37Å; N1284-T1288 PolarHBondContact O-OG1 3.46Å |
| 1285 | D | 39 | Very low | 49.2 | Very low | 38 Ų | 38 | 93.6 Ų | 93.6 | 20% | 0.203 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 171.4 | -63.7 | -77.4 | 0 | 0 | 0 | 109.8 | K1246 N1282 I1287 T1288 L1289 | K1246-D1285 IonicContact NZ-OD1 3.55Å; K1246-D1285 PolarHBondContact NZ-OD1 2.78Å; N1282-D1285 WeakPolarHBondContact CB-OD2 3.2Å; N1282-D1285 PolarHBondContact O-N 2.96Å; D1285-I1287 PolarHBondContact O-N 2.94Å; D1285-I1287 VanDerWaalsContact O-N 3.14Å; D1285-T1288 PolarHBondContact O-N 3.02Å; D1285-T1288 PolarHBondContact O-OG1 2.91Å; D1285-L1289 HydrophobicContact CB-CD1 4.37Å; D1285-L1289 WeakPolarHBondContact O-CD1 3.47Å; D1285-L1289 PolarHBondContact O-N 3.02Å |
| 1286 | R | 42.2 | Very low | 51.5 | Low | 140 Ų | 140 | 90.6 Ų | 90.6 | 53% | 0.528 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62 | -21.5 | 179.5 | -75.6 | -166.5 | -179.6 | 177.5 | 2.8 | 114.7 | M1281 T1283 | M1281-R1286 HydrophobicContact CB-CG 4.48Å; M1281-R1286 HydrophobicContact CE-CG 3.86Å; M1281-R1286 HydrophobicContact SD-CG 3.95Å; M1281-R1286 PolarHBondContact SD-NE 2.73Å; T1283-R1286 PolarHBondContact O-N 2.91Å |
| 1287 | I | 43.9 | Very low | 53.5 | Low | 138 Ų | 138 | 92.7 Ų | 92.7 | 71% | 0.708 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -92.3 | -14.7 | 178.7 | -66.7 | 166.1 | 0 | 0 | 0 | 111.6 | T1283 N1284 D1285 | T1283-I1287 WeakPolarHBondContact O-CD1 3.41Å; T1283-I1287 VanDerWaalsContact O-CG1 3.3Å; T1283-I1287 WeakPolarHBondContact O-CG1 3.5Å; T1283-I1287 PolarHBondContact O-N 2.9Å; N1284-I1287 PolarHBondContact O-N 3.39Å; D1285-I1287 PolarHBondContact O-N 2.94Å; D1285-I1287 VanDerWaalsContact O-N 3.14Å |
| 1288 | T | 45.5 | Very low | 55.8 | Low | 94 Ų | 94 | 85 Ų | 85 | 58% | 0.577 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -108.2 | -0.6 | -177.2 | 49.3 | 0 | 0 | 0 | 0 | 114.6 | N1284 D1285 | N1284-T1288 WeakPolarHBondContact O-CG2 3.44Å; N1284-T1288 PolarHBondContact O-N 3.37Å; N1284-T1288 PolarHBondContact O-OG1 3.46Å; D1285-T1288 PolarHBondContact O-N 3.02Å; D1285-T1288 PolarHBondContact O-OG1 2.91Å |
| 1289 | L | 48.3 | Very low | 58.1 | Low | 38 Ų | 38 | 78.5 Ų | 78.5 | 20% | 0.199 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -107.8 | 46.8 | 178.3 | -87.1 | 149.2 | 0 | 0 | 0 | 111.1 | Y1245 D1285 | Y1245-L1289 HydrophobicContact CD1-CD2 3.61Å; Y1245-L1289 HydrophobicContact CD1-CG 4.46Å; Y1245-L1289 HydrophobicContact CE1-CD2 4.02Å; D1285-L1289 HydrophobicContact CB-CD1 4.37Å; D1285-L1289 WeakPolarHBondContact O-CD1 3.47Å; D1285-L1289 PolarHBondContact O-N 3.02Å |
| 1290 | G | 44.7 | Very low | 60.5 | Low | 48 Ų | 48 | 76.8 Ų | 76.8 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | trans | -67.4 | 153.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y1292 | G1290-Y1292 PolarHBondContact O-N 2.89Š| ||
| 1291 | E | 58.8 | Low | 63 | Low | 169 Ų | 169 | 74.2 Ų | 74.2 | 79% | 0.79 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 61.5 | -24.8 | 164.2 | -60.2 | -176.4 | 157.2 | 0 | 0 | 119.8 | R1293 | E1291-R1293 PolarHBondContact O-N 2.85Š|
| 1292 | Y | 70.3 | Confident | 65.6 | Low | 25 Ų | 25 | 71.6 Ų | 71.6 | 10% | 0.098 | 36% | 0.355 | C | S | . | . | trans | -66.3 | 122.9 | -177.5 | -171 | -92.7 | 0 | 0 | 0 | 112 | F1251 Q1258 G1290 L1294 E1298 F1302 Y1334 | F1251-Y1292 AromaticContact CE1-CD1 3.96Å; F1251-Y1292 HydrophobicContact CE1-CD1 3.96Å; F1251-Y1292 AromaticContact CE1-CE1 3.52Å; F1251-Y1292 HydrophobicContact CE1-CE1 3.52Å; F1251-Y1292 AromaticContact CZ-CD1 3.48Å; F1251-Y1292 HydrophobicContact CZ-CD1 3.48Å; F1251-Y1292 VanDerWaalsContact CZ-CD1 3.48Å; F1251-Y1292 AromaticContact CZ-CE1 3.44Å; F1251-Y1292 HydrophobicContact CZ-CE1 3.44Å; F1251-Y1292 VanDerWaalsContact CZ-CE1 3.44Å; F1251-Y1292 HydrophobicContact CZ-CG 4.09Å; Q1258-Y1292 PolarHBondContact NE2-O 2.74Å; Q1258-Y1292 PolarHBondContact OE1-O 2.82Å; G1290-Y1292 PolarHBondContact O-N 2.89Å; Y1292-L1294 HydrophobicContact CE1-CB 4.46Å; Y1292-L1294 HydrophobicContact CE1-CD1 4.28Å; Y1292-E1298 WeakPolarHBondContact OH-CB 3.49Å; Y1292-E1298 WeakPolarHBondContact OH-CG 3.23Å; Y1292-E1298 PolarHBondContact OH-OE2 2.88Å; Y1292-F1302 WeakPolarHBondContact OH-CZ 3.43Å; Y1292-Y1334 AromaticContact CD2-CD1 3.69Å; Y1292-Y1334 HydrophobicContact CD2-CD1 3.69Å; Y1292-Y1334 AromaticContact CD2-CD2 3.81Å; Y1292-Y1334 HydrophobicContact CD2-CD2 3.81Å; Y1292-Y1334 AromaticContact CD2-CE1 3.49Å; Y1292-Y1334 HydrophobicContact CD2-CE1 3.49Å; Y1292-Y1334 VanDerWaalsContact CD2-CE1 3.49Å; Y1292-Y1334 AromaticContact CD2-CE2 3.63Å; Y1292-Y1334 HydrophobicContact CD2-CE2 3.63Å; Y1292-Y1334 AromaticContact CD2-CG 3.84Å; Y1292-Y1334 HydrophobicContact CD2-CG 3.84Å; Y1292-Y1334 AromaticContact CD2-CZ 3.46Å; Y1292-Y1334 VanDerWaalsContact CD2-CZ 3.46Å; Y1292-Y1334 AromaticContact CE2-CD1 3.77Å; Y1292-Y1334 HydrophobicContact CE2-CD1 3.77Å; Y1292-Y1334 AromaticContact CE2-CD2 3.82Å; Y1292-Y1334 HydrophobicContact CE2-CD2 3.82Å; Y1292-Y1334 HydrophobicContact CE2-CE1 4.08Å; Y1292-Y1334 HydrophobicContact CE2-CE2 4.13Å; Y1292-Y1334 AromaticContact CE2-CG 3.63Å; Y1292-Y1334 HydrophobicContact CE2-CG 3.63Å; Y1292-Y1334 HydrophobicContact CG-CD1 4.15Å; Y1292-Y1334 AromaticContact CG-CE1 3.72Å; Y1292-Y1334 HydrophobicContact CG-CE1 3.72Å; Y1292-Y1334 AromaticContact CG-CZ 3.94Å | ||
| 1293 | R | 73.7 | Confident | 68.3 | Low | 171 Ų | 171 | 67.4 Ų | 67.4 | 65% | 0.645 | 33% | 0.333 | S | S | * | . | trans | -104.5 | 109.8 | 176.5 | -173.1 | 175.4 | -176.6 | 169.8 | 1 | 110.6 | E1291 T1295 | E1291-R1293 PolarHBondContact O-N 2.85Å; R1293-T1295 HydrophobicContact CG-CG2 4.39Å | ||
| 1294 | L | 82 | Confident | 71 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | trans | -67.3 | 136.5 | 172.7 | -170.8 | 72.1 | 0 | 0 | 0 | 110.2 | I1252 H1255 M1259 Y1292 E1298 I1299 F1302 L1418 | I1252-L1294 HydrophobicContact CD1-CD1 3.74Å; I1252-L1294 HydrophobicContact CD1-CD2 3.78Å; I1252-L1294 HydrophobicContact CD1-CG 4.43Å; H1255-L1294 HydrophobicContact CB-CB 3.78Å; H1255-L1294 HydrophobicContact CB-CD2 4.28Å; M1259-L1294 HydrophobicContact CG-CB 4.42Å; M1259-L1294 HydrophobicContact CG-CG 4.4Å; M1259-L1294 VanDerWaalsContact CG-O 3.23Å; M1259-L1294 WeakPolarHBondContact CG-O 3.38Å; M1259-L1294 HydrophobicContact SD-CB 4.35Å; M1259-L1294 HydrophobicContact SD-CD2 3.87Å; M1259-L1294 HydrophobicContact SD-CG 3.73Å; Y1292-L1294 HydrophobicContact CE1-CB 4.46Å; Y1292-L1294 HydrophobicContact CE1-CD1 4.28Å; L1294-E1298 HydrophobicContact CD1-CB 4.08Å; L1294-I1299 HydrophobicContact CD1-CG1 4.4Å; L1294-F1302 HydrophobicContact CD1-CE2 3.77Å; L1294-L1418 HydrophobicContact CD2-CD2 4.31Å | ||
| 1295 | T | 83.1 | Confident | 73.5 | Confident | 51 Ų | 51 | 63 Ų | 63 | 31% | 0.313 | 30% | 0.303 | S | S | . | . | trans | -140.6 | 169.2 | 175.5 | 72.1 | 0 | 0 | 0 | 0 | 110.5 | R1293 K1297 E1298 I1299 | R1293-T1295 HydrophobicContact CG-CG2 4.39Å; T1295-K1297 PolarHBondContact O-N 2.99Å; T1295-K1297 PolarHBondContact OG1-N 2.9Å; T1295-E1298 WeakPolarHBondContact O-CB 3.28Å; T1295-E1298 PolarHBondContact O-N 3.16Å; T1295-E1298 PolarHBondContact OG1-N 3.38Å; T1295-I1299 PolarHBondContact O-N 2.96Å | ||
| 1296 | V | 83.2 | Confident | 76.3 | Confident | 59 Ų | 59 | 61.2 Ų | 61.2 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55 | -38.4 | 171.3 | -177.7 | 0 | 0 | 0 | 0 | 111 | M1259 E1298 I1299 Y1300 L1481 | M1259-V1296 HydrophobicContact CE-CB 4.49Å; M1259-V1296 HydrophobicContact CE-CG2 3.59Å; V1296-E1298 VanDerWaalsContact C-N 3.32Å; V1296-E1298 PolarHBondContact O-N 3.49Å; V1296-I1299 WeakPolarHBondContact O-CB 3.48Å; V1296-I1299 PolarHBondContact O-N 3.27Å; V1296-I1299 VanDerWaalsContact O-N 3.16Å; V1296-Y1300 HydrophobicContact CG1-CD2 3.83Å; V1296-Y1300 HydrophobicContact CG1-CE2 3.8Å; V1296-Y1300 WeakPolarHBondContact O-CD2 3.45Å; V1296-Y1300 PolarHBondContact O-N 3.09Å; V1296-L1481 HydrophobicContact CG2-CD2 4.18Å |
| 1297 | K | 84.8 | Confident | 78.9 | Confident | 89 Ų | 89 | 54.5 Ų | 54.5 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.8 | -34.9 | 178 | -166.6 | 161.9 | -173.1 | 143.6 | 0 | 112.6 | T1295 R1301 T1518 | T1295-K1297 PolarHBondContact O-N 2.99Å; T1295-K1297 PolarHBondContact OG1-N 2.9Å; K1297-R1301 WeakPolarHBondContact O-CB 3.35Å; K1297-R1301 VanDerWaalsContact O-CG 3.25Å; K1297-R1301 WeakPolarHBondContact O-CG 3.15Å; K1297-R1301 PolarHBondContact O-N 3.35Å; K1297-T1518 PolarHBondContact NZ-OG1 2.96Å |
| 1298 | E | 88.7 | Confident | 81.4 | Confident | 27 Ų | 27 | 49 Ų | 49 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.5 | -38.2 | 172.9 | -61.7 | -49.9 | 106.1 | 0 | 0 | 112 | Y1292 L1294 T1295 V1296 R1301 F1302 | Y1292-E1298 WeakPolarHBondContact OH-CB 3.49Å; Y1292-E1298 WeakPolarHBondContact OH-CG 3.23Å; Y1292-E1298 PolarHBondContact OH-OE2 2.88Å; L1294-E1298 HydrophobicContact CD1-CB 4.08Å; T1295-E1298 WeakPolarHBondContact O-CB 3.28Å; T1295-E1298 PolarHBondContact O-N 3.16Å; T1295-E1298 PolarHBondContact OG1-N 3.38Å; V1296-E1298 VanDerWaalsContact C-N 3.32Å; V1296-E1298 PolarHBondContact O-N 3.49Å; E1298-R1301 WeakPolarHBondContact O-CB 3.09Å; E1298-R1301 PolarHBondContact O-N 3.27Å; E1298-R1301 VanDerWaalsContact OE1-CD 3.24Å; E1298-R1301 WeakPolarHBondContact OE1-CD 3.48Å; E1298-R1301 IonicContact OE1-CZ 3.98Å; E1298-R1301 IonicContact OE1-NE 3.87Å; E1298-R1301 IonicContact OE1-NH1 2.78Å; E1298-R1301 PolarHBondContact OE1-NH1 3.49Å; E1298-R1301 IonicContact OE2-NH1 2.68Å; E1298-F1302 HydrophobicContact CB-CE2 4.4Å; E1298-F1302 VanDerWaalsContact O-CD2 3.3Å; E1298-F1302 WeakPolarHBondContact O-CD2 3.41Å; E1298-F1302 VanDerWaalsContact O-CG 3.3Å; E1298-F1302 WeakPolarHBondContact O-CG 3.35Å; E1298-F1302 PolarHBondContact O-N 3.01Å |
| 1299 | I | 90.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 174.7 | -69.3 | 167.7 | 0 | 0 | 0 | 111.2 | M1259 L1294 T1295 V1296 R1301 F1302 A1303 L1415 F1416 L1418 L1481 | M1259-I1299 HydrophobicContact CE-CD1 3.92Å; M1259-I1299 HydrophobicContact SD-CD1 3.77Å; L1294-I1299 HydrophobicContact CD1-CG1 4.4Å; T1295-I1299 PolarHBondContact O-N 2.96Å; V1296-I1299 WeakPolarHBondContact O-CB 3.48Å; V1296-I1299 PolarHBondContact O-N 3.27Å; V1296-I1299 VanDerWaalsContact O-N 3.16Å; I1299-R1301 VanDerWaalsContact C-N 3.35Å; I1299-R1301 PolarHBondContact O-N 3.36Å; I1299-F1302 PolarHBondContact O-N 3.33Å; I1299-A1303 PolarHBondContact O-N 3.45Å; I1299-L1415 HydrophobicContact CG2-CD2 4.13Å; I1299-L1415 HydrophobicContact CG2-CG 3.91Å; I1299-F1416 HydrophobicContact CB-CE1 4.48Å; I1299-F1416 HydrophobicContact CG2-CD1 3.58Å; I1299-F1416 HydrophobicContact CG2-CD2 4.31Å; I1299-F1416 HydrophobicContact CG2-CE1 3.43Å; I1299-F1416 VanDerWaalsContact CG2-CE1 3.43Å; I1299-F1416 HydrophobicContact CG2-CE2 4.16Å; I1299-F1416 HydrophobicContact CG2-CG 4.04Å; I1299-F1416 HydrophobicContact CG2-CZ 3.73Å; I1299-L1418 HydrophobicContact CD1-CD2 3.55Å; I1299-L1481 HydrophobicContact CD1-CD1 4.08Å |
| 1300 | Y | 91 | Very high | 86.2 | Confident | 22 Ų | 22 | 42.8 Ų | 42.8 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.5 | -38.1 | 173.8 | -85.5 | -98.9 | 0 | 0 | 0 | 111.9 | V1296 F1302 A1303 Y1304 F1416 N1483 L1486 L1511 L1514 | V1296-Y1300 HydrophobicContact CG1-CD2 3.83Å; V1296-Y1300 HydrophobicContact CG1-CE2 3.8Å; V1296-Y1300 WeakPolarHBondContact O-CD2 3.45Å; V1296-Y1300 PolarHBondContact O-N 3.09Å; Y1300-F1302 PolarHBondContact O-N 3.44Å; Y1300-A1303 PolarHBondContact O-N 3.08Å; Y1300-Y1304 WeakPolarHBondContact O-CB 3.25Å; Y1300-Y1304 PolarHBondContact O-N 3.12Å; Y1300-F1416 AromaticContact CD2-CE1 3.89Å; Y1300-F1416 HydrophobicContact CD2-CE1 3.89Å; Y1300-F1416 AromaticContact CD2-CZ 3.85Å; Y1300-F1416 HydrophobicContact CD2-CZ 3.85Å; Y1300-F1416 HydrophobicContact CE1-CZ 4.38Å; Y1300-F1416 AromaticContact CE2-CE1 3.55Å; Y1300-F1416 HydrophobicContact CE2-CE1 3.55Å; Y1300-F1416 AromaticContact CE2-CZ 3.64Å; Y1300-F1416 HydrophobicContact CE2-CZ 3.64Å; Y1300-F1416 HydrophobicContact CG-CZ 4.33Å; Y1300-F1416 AromaticContact CZ-CZ 3.93Å; Y1300-N1483 PolarHBondContact OH-OD1 3.33Å; Y1300-L1486 HydrophobicContact CE1-CD2 3.68Å; Y1300-L1511 HydrophobicContact CD1-CD2 3.94Å; Y1300-L1511 HydrophobicContact CE1-CD2 4.22Å; Y1300-L1514 HydrophobicContact CD1-CB 4.15Å; Y1300-L1514 HydrophobicContact CE1-CB 3.85Å; Y1300-L1514 HydrophobicContact CE1-CD1 4.02Å |
| 1301 | R | 92.3 | Very high | 88.6 | Confident | 131 Ų | 131 | 42.7 Ų | 42.7 | 49% | 0.494 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 172.9 | -79 | 165.2 | 161.8 | -179 | -9.4 | 112.3 | K1297 E1298 I1299 G1305 L1515 | K1297-R1301 WeakPolarHBondContact O-CB 3.35Å; K1297-R1301 VanDerWaalsContact O-CG 3.25Å; K1297-R1301 WeakPolarHBondContact O-CG 3.15Å; K1297-R1301 PolarHBondContact O-N 3.35Å; E1298-R1301 WeakPolarHBondContact O-CB 3.09Å; E1298-R1301 PolarHBondContact O-N 3.27Å; E1298-R1301 VanDerWaalsContact OE1-CD 3.24Å; E1298-R1301 WeakPolarHBondContact OE1-CD 3.48Å; E1298-R1301 IonicContact OE1-CZ 3.98Å; E1298-R1301 IonicContact OE1-NE 3.87Å; E1298-R1301 IonicContact OE1-NH1 2.78Å; E1298-R1301 PolarHBondContact OE1-NH1 3.49Å; E1298-R1301 IonicContact OE2-NH1 2.68Å; I1299-R1301 VanDerWaalsContact C-N 3.35Å; I1299-R1301 PolarHBondContact O-N 3.36Å; R1301-G1305 PolarHBondContact O-N 3.04Å; R1301-L1515 HydrophobicContact CG-CD2 4.08Å |
| 1302 | F | 95.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.013 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.8 | -47.7 | 174.8 | -62.2 | -35.7 | 0 | 0 | 0 | 111.6 | L1248 F1251 I1252 Y1292 L1294 E1298 I1299 Y1300 Y1304 G1305 I1306 I1330 Y1334 P1336 L1415 | L1248-F1302 HydrophobicContact CD1-CD2 3.76Å; L1248-F1302 HydrophobicContact CD1-CE2 4.11Å; L1248-F1302 HydrophobicContact CD1-CG 4.1Å; F1251-F1302 HydrophobicContact CD1-CE2 4.14Å; F1251-F1302 HydrophobicContact CD1-CZ 4.06Å; F1251-F1302 AromaticContact CE1-CE2 3.95Å; F1251-F1302 HydrophobicContact CE1-CE2 3.95Å; F1251-F1302 AromaticContact CE1-CZ 3.58Å; F1251-F1302 HydrophobicContact CE1-CZ 3.58Å; F1251-F1302 HydrophobicContact CZ-CZ 4.42Å; I1252-F1302 HydrophobicContact CD1-CD2 4.27Å; I1252-F1302 HydrophobicContact CD1-CE2 4.07Å; Y1292-F1302 WeakPolarHBondContact OH-CZ 3.43Å; L1294-F1302 HydrophobicContact CD1-CE2 3.77Å; E1298-F1302 HydrophobicContact CB-CE2 4.4Å; E1298-F1302 VanDerWaalsContact O-CD2 3.3Å; E1298-F1302 WeakPolarHBondContact O-CD2 3.41Å; E1298-F1302 VanDerWaalsContact O-CG 3.3Å; E1298-F1302 WeakPolarHBondContact O-CG 3.35Å; E1298-F1302 PolarHBondContact O-N 3.01Å; I1299-F1302 PolarHBondContact O-N 3.33Å; Y1300-F1302 PolarHBondContact O-N 3.44Å; F1302-Y1304 VanDerWaalsContact C-N 3.32Å; F1302-Y1304 PolarHBondContact O-N 2.97Å; F1302-G1305 PolarHBondContact O-N 3.14Å; F1302-I1306 VanDerWaalsContact O-CD1 3.32Å; F1302-I1306 WeakPolarHBondContact O-CD1 3.08Å; F1302-I1306 WeakPolarHBondContact O-CG1 3.27Å; F1302-I1306 PolarHBondContact O-N 3.12Å; F1302-I1330 HydrophobicContact CE1-CD1 4.47Å; F1302-Y1334 WeakPolarHBondContact CE1-O 3.42Å; F1302-P1336 HydrophobicContact CD1-CG 4.46Å; F1302-L1415 HydrophobicContact CB-CD2 4.21Å |
| 1303 | A | 95.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -53.4 | -49.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1299 Y1300 I1306 I1307 Y1408 L1412 L1511 | I1299-A1303 PolarHBondContact O-N 3.45Å; Y1300-A1303 PolarHBondContact O-N 3.08Å; A1303-I1306 PolarHBondContact O-N 3.28Å; A1303-I1307 PolarHBondContact O-N 3.03Å; A1303-I1307 VanDerWaalsContact O-N 3.09Å; A1303-Y1408 PolarHBondContact O-OH 3.34Å; A1303-L1412 HydrophobicContact CB-CD2 3.5Å; A1303-L1412 VanDerWaalsContact CB-CD2 3.5Å; A1303-L1511 HydrophobicContact CB-CD1 4.13Å; A1303-L1511 HydrophobicContact CB-CD2 4.28Å |
| 1304 | Y | 96 | Very high | 92.3 | Very high | 71 Ų | 71 | 29.1 Ų | 29.1 | 28% | 0.278 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -61.6 | -48.4 | 179.3 | 178.6 | -109.8 | 0 | 0 | 0 | 112.7 | Y1300 F1302 I1306 I1307 S1308 H1508 L1511 K1512 L1515 | Y1300-Y1304 WeakPolarHBondContact O-CB 3.25Å; Y1300-Y1304 PolarHBondContact O-N 3.12Å; F1302-Y1304 VanDerWaalsContact C-N 3.32Å; F1302-Y1304 PolarHBondContact O-N 2.97Å; Y1304-I1306 VanDerWaalsContact C-N 3.3Å; Y1304-I1306 PolarHBondContact O-N 3.13Å; Y1304-I1307 WeakPolarHBondContact O-CG2 3.05Å; Y1304-I1307 PolarHBondContact O-N 3.45Å; Y1304-S1308 PolarHBondContact O-N 2.7Å; Y1304-S1308 PolarHBondContact O-OG 2.97Å; Y1304-S1308 VanDerWaalsContact O-OG 3.12Å; Y1304-H1508 AromaticContact CE2-CD2 3.61Å; Y1304-H1508 AromaticContact CE2-CE1 4Å; Y1304-H1508 AromaticContact CE2-NE2 3.49Å; Y1304-H1508 WeakPolarHBondContact CE2-NE2 3.46Å; Y1304-H1508 AromaticContact CZ-NE2 3.68Å; Y1304-H1508 PolarHBondContact OH-NE2 3.37Å; Y1304-L1511 HydrophobicContact CD2-CB 4.29Å; Y1304-K1512 HydrophobicContact CD2-CB 4.35Å; Y1304-K1512 HydrophobicContact CE2-CB 3.74Å; Y1304-K1512 HydrophobicContact CE2-CG 4.26Å; Y1304-L1515 HydrophobicContact CG-CD1 4.16Å |
| 1305 | G | 95.2 | Very high | 92.6 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 6% | 0.062 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.2 | -38.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | N1213 R1301 F1302 S1308 G1309 | N1213-G1305 WeakPolarHBondContact CB-O 3.1Å; N1213-G1305 PolarHBondContact ND2-O 3.12Å; N1213-G1305 PolarHBondContact OD1-O 3.37Å; R1301-G1305 PolarHBondContact O-N 3.04Å; F1302-G1305 PolarHBondContact O-N 3.14Å; G1305-S1308 PolarHBondContact O-N 2.93Å; G1305-G1309 PolarHBondContact O-N 3.06Å; G1305-G1309 VanDerWaalsContact O-N 3.08Å |
| 1306 | I | 97.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.6 | -43.9 | 178.1 | -62.6 | 159.4 | 0 | 0 | 0 | 111 | L1248 F1302 A1303 Y1304 G1309 I1310 I1328 P1336 Y1408 L1411 | L1248-I1306 HydrophobicContact CD2-CD1 3.81Å; F1302-I1306 VanDerWaalsContact O-CD1 3.32Å; F1302-I1306 WeakPolarHBondContact O-CD1 3.08Å; F1302-I1306 WeakPolarHBondContact O-CG1 3.27Å; F1302-I1306 PolarHBondContact O-N 3.12Å; A1303-I1306 PolarHBondContact O-N 3.28Å; Y1304-I1306 VanDerWaalsContact C-N 3.3Å; Y1304-I1306 PolarHBondContact O-N 3.13Å; I1306-G1309 WeakPolarHBondContact O-CA 3.43Å; I1306-G1309 PolarHBondContact O-N 3.38Å; I1306-G1309 VanDerWaalsContact O-N 3.12Å; I1306-I1310 HydrophobicContact CG2-CD1 4.17Å; I1306-I1310 WeakPolarHBondContact O-CG1 3.37Å; I1306-I1310 PolarHBondContact O-N 3.26Å; I1306-I1328 HydrophobicContact CD1-CD1 4.43Å; I1306-I1328 HydrophobicContact CD1-CG1 3.98Å; I1306-I1328 HydrophobicContact CD1-CG2 4.08Å; I1306-I1328 HydrophobicContact CG1-CD1 4.15Å; I1306-I1328 HydrophobicContact CG1-CG1 4.19Å; I1306-I1328 HydrophobicContact CG1-CG2 4Å; I1306-I1328 HydrophobicContact CG2-CD1 3.95Å; I1306-P1336 HydrophobicContact CD1-CB 4.46Å; I1306-P1336 HydrophobicContact CG1-CB 3.88Å; I1306-P1336 HydrophobicContact CG1-CG 4.21Å; I1306-Y1408 HydrophobicContact CB-CE2 3.97Å; I1306-Y1408 HydrophobicContact CG2-CD2 3.84Å; I1306-Y1408 HydrophobicContact CG2-CE2 3.64Å; I1306-L1411 HydrophobicContact CD1-CD2 3.8Å; I1306-L1411 HydrophobicContact CG2-CD1 4.29Å |
| 1307 | I | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.9 | -33.5 | 177.9 | -166.2 | 70.9 | 0 | 0 | 0 | 112.1 | A1303 Y1304 G1309 I1310 V1311 I1405 Y1408 A1504 I1507 H1508 L1511 | A1303-I1307 PolarHBondContact O-N 3.03Å; A1303-I1307 VanDerWaalsContact O-N 3.09Å; Y1304-I1307 WeakPolarHBondContact O-CG2 3.05Å; Y1304-I1307 PolarHBondContact O-N 3.45Å; I1307-G1309 VanDerWaalsContact C-N 3.26Å; I1307-G1309 PolarHBondContact O-N 2.75Å; I1307-I1310 HydrophobicContact CD1-CB 4.22Å; I1307-I1310 HydrophobicContact CD1-CD1 4.23Å; I1307-I1310 HydrophobicContact CD1-CG2 4.41Å; I1307-I1310 PolarHBondContact O-N 3.2Å; I1307-I1310 VanDerWaalsContact O-N 3.14Å; I1307-V1311 WeakPolarHBondContact O-CG2 3.46Å; I1307-V1311 PolarHBondContact O-N 2.71Å; I1307-I1405 HydrophobicContact CD1-CD1 4.28Å; I1307-Y1408 HydrophobicContact CB-CE1 4.28Å; I1307-Y1408 HydrophobicContact CB-CE2 4.17Å; I1307-Y1408 HydrophobicContact CD1-CD1 4.04Å; I1307-Y1408 HydrophobicContact CD1-CE1 3.97Å; I1307-Y1408 HydrophobicContact CD1-CG 4.38Å; I1307-Y1408 HydrophobicContact CG1-CE1 4.48Å; I1307-A1504 HydrophobicContact CD1-CB 4.21Å; I1307-A1504 WeakPolarHBondContact CG1-O 3.34Å; I1307-I1507 HydrophobicContact CD1-CB 4.02Å; I1307-I1507 HydrophobicContact CD1-CD1 4.28Å; I1307-I1507 HydrophobicContact CD1-CG2 3.91Å; I1307-I1507 HydrophobicContact CG1-CB 4.03Å; I1307-I1507 HydrophobicContact CG1-CG2 3.9Å; I1307-H1508 HydrophobicContact CG1-CB 4.12Å; I1307-H1508 HydrophobicContact CG2-CB 4.07Å; I1307-L1511 HydrophobicContact CG2-CD1 3.94Å |
| 1308 | S | 96.5 | Very high | 93.3 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 16% | 0.161 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.7 | -38.2 | 169.1 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | Y1304 G1305 Y1312 H1508 | Y1304-S1308 PolarHBondContact O-N 2.7Å; Y1304-S1308 PolarHBondContact O-OG 2.97Å; Y1304-S1308 VanDerWaalsContact O-OG 3.12Å; G1305-S1308 PolarHBondContact O-N 2.93Å; S1308-Y1312 PolarHBondContact O-N 3.31Å; S1308-H1508 PolarHBondContact OG-CD2 3.2Å; S1308-H1508 VanDerWaalsContact OG-CD2 3.31Å; S1308-H1508 PolarHBondContact OG-NE2 3.12Å |
| 1309 | G | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113 | G1305 I1306 I1307 Y1312 L1313 | G1305-G1309 PolarHBondContact O-N 3.06Å; G1305-G1309 VanDerWaalsContact O-N 3.08Å; I1306-G1309 WeakPolarHBondContact O-CA 3.43Å; I1306-G1309 PolarHBondContact O-N 3.38Å; I1306-G1309 VanDerWaalsContact O-N 3.12Å; I1307-G1309 VanDerWaalsContact C-N 3.26Å; I1307-G1309 PolarHBondContact O-N 2.75Å; G1309-Y1312 WeakPolarHBondContact O-CA 3.3Å; G1309-Y1312 WeakPolarHBondContact O-CB 3.31Å; G1309-Y1312 PolarHBondContact O-N 3.22Å; G1309-Y1312 VanDerWaalsContact O-N 3.12Å; G1309-L1313 PolarHBondContact O-N 3.19Å |
| 1310 | I | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 178.9 | -64.1 | 168.3 | 0 | 0 | 0 | 111.5 | I1306 I1307 Y1312 L1313 V1314 L1323 I1338 I1405 Y1408 A1504 | I1306-I1310 HydrophobicContact CG2-CD1 4.17Å; I1306-I1310 WeakPolarHBondContact O-CG1 3.37Å; I1306-I1310 PolarHBondContact O-N 3.26Å; I1307-I1310 HydrophobicContact CD1-CB 4.22Å; I1307-I1310 HydrophobicContact CD1-CD1 4.23Å; I1307-I1310 HydrophobicContact CD1-CG2 4.41Å; I1307-I1310 PolarHBondContact O-N 3.2Å; I1307-I1310 VanDerWaalsContact O-N 3.14Å; I1310-Y1312 PolarHBondContact O-N 3.23Å; I1310-L1313 WeakPolarHBondContact O-CB 3.44Å; I1310-L1313 PolarHBondContact O-N 2.94Å; I1310-V1314 HydrophobicContact CG2-CG2 4.41Å; I1310-V1314 WeakPolarHBondContact O-CG2 3.26Å; I1310-V1314 PolarHBondContact O-N 2.96Å; I1310-L1323 HydrophobicContact CD1-CD1 3.85Å; I1310-L1323 HydrophobicContact CG1-CD1 4.03Å; I1310-I1338 HydrophobicContact CG1-CD1 3.81Å; I1310-I1405 HydrophobicContact CG2-CD1 4.15Å; I1310-Y1408 HydrophobicContact CD1-CD2 3.42Å; I1310-Y1408 VanDerWaalsContact CD1-CD2 3.42Å; I1310-Y1408 HydrophobicContact CD1-CE2 4.2Å; I1310-Y1408 HydrophobicContact CD1-CG 3.77Å; I1310-A1504 HydrophobicContact CG2-CB 4.1Å |
| 1311 | V | 95.6 | Very high | 93.6 | Very high | 46 Ų | 46 | 32.6 Ų | 32.6 | 28% | 0.279 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -56.2 | -40.6 | 172.4 | 169.2 | 0 | 0 | 0 | 0 | 110.8 | I1307 K1315 A1504 H1508 | I1307-V1311 WeakPolarHBondContact O-CG2 3.46Å; I1307-V1311 PolarHBondContact O-N 2.71Å; V1311-K1315 WeakPolarHBondContact O-CB 3.09Å; V1311-K1315 PolarHBondContact O-N 3.37Å; V1311-A1504 HydrophobicContact CB-CB 4.49Å; V1311-A1504 HydrophobicContact CG2-CB 3.6Å; V1311-A1504 WeakPolarHBondContact CG2-O 3.43Å; V1311-H1508 HydrophobicContact CG2-CB 4.08Å |
| 1312 | Y | 95.5 | Very high | 93.6 | Very high | 33 Ų | 33 | 27.1 Ų | 27.1 | 13% | 0.129 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.7 | -37.6 | 174.3 | -177.6 | -102.8 | 0 | 0 | 0 | 112.7 | L1208 N1210 C1211 I1214 S1308 G1309 I1310 K1315 N1316 | L1208-Y1312 HydrophobicContact CB-CE1 4.1Å; L1208-Y1312 HydrophobicContact CD2-CD1 4.17Å; L1208-Y1312 HydrophobicContact CD2-CE1 3.7Å; N1210-Y1312 HydrophobicContact CB-CE2 4.34Å; N1210-Y1312 PolarHBondContact N-OH 3.33Å; N1210-Y1312 VanDerWaalsContact N-OH 3.07Å; C1211-Y1312 HydrophobicContact CB-CD1 3.38Å; C1211-Y1312 HydrophobicContact CB-CD2 3.93Å; C1211-Y1312 HydrophobicContact CB-CE1 3.63Å; C1211-Y1312 HydrophobicContact CB-CE2 4.18Å; C1211-Y1312 HydrophobicContact CB-CG 3.53Å; I1214-Y1312 HydrophobicContact CD1-CD1 4.44Å; I1214-Y1312 HydrophobicContact CG1-CD1 3.79Å; I1214-Y1312 HydrophobicContact CG1-CE1 4.23Å; S1308-Y1312 PolarHBondContact O-N 3.31Å; G1309-Y1312 WeakPolarHBondContact O-CA 3.3Å; G1309-Y1312 WeakPolarHBondContact O-CB 3.31Å; G1309-Y1312 PolarHBondContact O-N 3.22Å; G1309-Y1312 VanDerWaalsContact O-N 3.12Å; I1310-Y1312 PolarHBondContact O-N 3.23Å; Y1312-K1315 PolarHBondContact O-N 2.89Å; Y1312-N1316 WeakPolarHBondContact CD2-ND2 3.49Å; Y1312-N1316 WeakPolarHBondContact CE2-ND2 3.47Å; Y1312-N1316 VanDerWaalsContact CZ-ND2 3.3Å; Y1312-N1316 PolarHBondContact O-N 3.45Å; Y1312-N1316 VanDerWaalsContact O-N 3.12Å; Y1312-N1316 PolarHBondContact O-ND2 3.31Å |
| 1313 | L | 94.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.5 | -49.4 | 173.9 | -64.8 | -173.3 | 0 | 0 | 0 | 112.1 | L1208 I1214 G1309 I1310 K1315 N1316 Y1317 V1318 H1320 I1338 F1341 | L1208-L1313 HydrophobicContact CD1-CD2 3.56Å; L1208-L1313 HydrophobicContact CD2-CD2 4.06Å; L1208-L1313 HydrophobicContact CG-CD2 4.47Å; I1214-L1313 HydrophobicContact CD1-CD2 3.72Å; I1214-L1313 HydrophobicContact CD1-CG 4Å; G1309-L1313 PolarHBondContact O-N 3.19Å; I1310-L1313 WeakPolarHBondContact O-CB 3.44Å; I1310-L1313 PolarHBondContact O-N 2.94Å; L1313-K1315 VanDerWaalsContact C-N 3.3Å; L1313-K1315 PolarHBondContact O-N 3.13Å; L1313-N1316 CarbonylContact O-C 3.51Å; L1313-N1316 PolarHBondContact O-N 3.3Å; L1313-Y1317 PolarHBondContact O-N 2.87Å; L1313-Y1317 VanDerWaalsContact O-N 3.14Å; L1313-V1318 HydrophobicContact CB-CB 4.25Å; L1313-V1318 HydrophobicContact CD2-CB 4.27Å; L1313-V1318 HydrophobicContact CD2-CG1 4.23Å; L1313-V1318 PolarHBondContact O-N 2.76Å; L1313-H1320 HydrophobicContact CD1-CB 4.27Å; L1313-I1338 HydrophobicContact CD1-CD1 4.2Å; L1313-I1338 HydrophobicContact CD1-CG2 4.32Å; L1313-F1341 HydrophobicContact CD1-CE1 3.93Å; L1313-F1341 HydrophobicContact CD1-CZ 4.27Å; L1313-F1341 HydrophobicContact CD2-CE1 3.62Å; L1313-F1341 HydrophobicContact CD2-CZ 3.92Å; L1313-F1341 HydrophobicContact CG-CE1 4.45Å |
| 1314 | V | 90.7 | Very high | 93.6 | Very high | 47 Ų | 47 | 27 Ų | 27 | 29% | 0.285 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -58.1 | -43.3 | 176.6 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | I1310 N1316 Y1317 F1401 A1504 | I1310-V1314 HydrophobicContact CG2-CG2 4.41Å; I1310-V1314 WeakPolarHBondContact O-CG2 3.26Å; I1310-V1314 PolarHBondContact O-N 2.96Å; V1314-N1316 PolarHBondContact O-N 2.8Å; V1314-Y1317 PolarHBondContact O-N 2.71Å; V1314-F1401 HydrophobicContact CB-CD1 4.29Å; V1314-F1401 HydrophobicContact CG1-CB 4.43Å; V1314-F1401 HydrophobicContact CG1-CD1 4.19Å; V1314-F1401 HydrophobicContact CG1-CD2 4.47Å; V1314-F1401 HydrophobicContact CG1-CG 4.11Å; V1314-F1401 HydrophobicContact CG2-CB 4.09Å; V1314-F1401 HydrophobicContact CG2-CD1 3.92Å; V1314-F1401 HydrophobicContact CG2-CG 4.21Å; V1314-A1504 HydrophobicContact CG2-CB 4.44Å |
| 1315 | K | 89 | Confident | 93.5 | Very high | 164 Ų | 164 | 23.8 Ų | 23.8 | 71% | 0.713 | 12% | 0.116 | S | C | * | . | H | α-helix | trans | -62.1 | -26.8 | 176.5 | -179.4 | 172.9 | 177.5 | 175.9 | 0 | 114 | V1311 Y1312 L1313 | V1311-K1315 WeakPolarHBondContact O-CB 3.09Å; V1311-K1315 PolarHBondContact O-N 3.37Å; Y1312-K1315 PolarHBondContact O-N 2.89Å; L1313-K1315 VanDerWaalsContact C-N 3.3Å; L1313-K1315 PolarHBondContact O-N 3.13Å |
| 1316 | N | 88.4 | Confident | 93.4 | Very high | 40 Ų | 40 | 28.2 Ų | 28.2 | 21% | 0.214 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 14.1 | 176 | -66.6 | -83.6 | 0 | 0 | 0 | 112.7 | L1208 Y1312 L1313 V1314 V1318 Q1346 | L1208-N1316 HydrophobicContact CD2-CB 3.67Å; Y1312-N1316 WeakPolarHBondContact CD2-ND2 3.49Å; Y1312-N1316 WeakPolarHBondContact CE2-ND2 3.47Å; Y1312-N1316 VanDerWaalsContact CZ-ND2 3.3Å; Y1312-N1316 PolarHBondContact O-N 3.45Å; Y1312-N1316 VanDerWaalsContact O-N 3.12Å; Y1312-N1316 PolarHBondContact O-ND2 3.31Å; L1313-N1316 CarbonylContact O-C 3.51Å; L1313-N1316 PolarHBondContact O-N 3.3Å; V1314-N1316 PolarHBondContact O-N 2.8Å; N1316-V1318 VanDerWaalsContact C-N 3.29Å; N1316-V1318 PolarHBondContact O-N 2.88Å; N1316-Q1346 PolarHBondContact O-NE2 2.78Å; N1316-Q1346 VanDerWaalsContact O-NE2 3.13Å |
| 1317 | Y | 87.7 | Confident | 93.2 | Very high | 112 Ų | 112 | 28.9 Ų | 28.9 | 44% | 0.439 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 29.8 | -179.6 | -55.8 | -87.7 | 0 | 0 | 0 | 114.6 | L1313 V1314 Q1346 M1347 P1349 F1401 | L1313-Y1317 PolarHBondContact O-N 2.87Å; L1313-Y1317 VanDerWaalsContact O-N 3.14Å; V1314-Y1317 PolarHBondContact O-N 2.71Å; Y1317-Q1346 CarbonylContact O-C 3.53Å; Y1317-Q1346 WeakPolarHBondContact O-CA 3.4Å; Y1317-M1347 WeakPolarHBondContact CB-O 3.24Å; Y1317-M1347 PolarHBondContact O-N 2.99Å; Y1317-P1349 HydrophobicContact CE1-CB 4.34Å; Y1317-F1401 HydrophobicContact CD1-CZ 4.25Å |
| 1318 | V | 89.5 | Confident | 93.2 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.7 | 179.1 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | I1204 L1208 L1313 N1316 F1341 A1344 V1345 Q1346 | I1204-V1318 HydrophobicContact CG2-CG1 4.07Å; I1204-V1318 HydrophobicContact CG2-CG2 4.16Å; L1208-V1318 HydrophobicContact CD1-CG2 4.41Å; L1208-V1318 HydrophobicContact CD2-CG2 4.25Å; L1313-V1318 HydrophobicContact CB-CB 4.25Å; L1313-V1318 HydrophobicContact CD2-CB 4.27Å; L1313-V1318 HydrophobicContact CD2-CG1 4.23Å; L1313-V1318 PolarHBondContact O-N 2.76Å; N1316-V1318 VanDerWaalsContact C-N 3.29Å; N1316-V1318 PolarHBondContact O-N 2.88Å; V1318-F1341 HydrophobicContact CG1-CD1 4.38Å; V1318-F1341 HydrophobicContact CG1-CE1 4.34Å; V1318-A1344 HydrophobicContact CG1-CB 4.18Å; V1318-V1345 CarbonylContact C-O 3.59Å; V1318-V1345 VanDerWaalsContact CA-O 3.32Å; V1318-V1345 WeakPolarHBondContact CA-O 3.5Å; V1318-Q1346 HydrophobicContact CG2-CB 4.42Å; V1318-Q1346 HydrophobicContact CG2-CG 4.22Å |
| 1319 | I | 91.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 126.9 | 164.9 | -51.8 | 172.3 | 0 | 0 | 0 | 107.8 | R1321 A1344 V1345 M1347 F1399 F1401 D1404 | I1319-R1321 HydrophobicContact CB-CG 4.46Å; I1319-R1321 HydrophobicContact CG2-CG 3.77Å; I1319-A1344 CarbonylContact O-C 3.33Å; I1319-A1344 VanDerWaalsContact O-CA 3.26Å; I1319-A1344 WeakPolarHBondContact O-CA 3.27Å; I1319-A1344 WeakPolarHBondContact O-CB 3.16Å; I1319-V1345 HydrophobicContact CB-CG2 3.97Å; I1319-V1345 PolarHBondContact N-O 3.23Å; I1319-V1345 PolarHBondContact O-N 2.86Å; I1319-M1347 HydrophobicContact CD1-CG 4.28Å; I1319-M1347 HydrophobicContact CD1-SD 3.64Å; I1319-M1347 HydrophobicContact CG1-SD 4.23Å; I1319-F1399 HydrophobicContact CD1-CB 4.34Å; I1319-F1399 HydrophobicContact CG2-CB 4.49Å; I1319-F1401 HydrophobicContact CD1-CD1 4.49Å; I1319-F1401 HydrophobicContact CG1-CD1 3.67Å; I1319-F1401 HydrophobicContact CG1-CE1 3.77Å; I1319-F1401 HydrophobicContact CG1-CG 4.41Å; I1319-D1404 WeakPolarHBondContact CA-OD2 3.4Å; I1319-D1404 WeakPolarHBondContact CG2-OD1 3.34Å |
| 1320 | H | 92.9 | Very high | 93 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -82.6 | -38.3 | -174.6 | -163.7 | -52 | 0 | 0 | 0 | 113.6 | L1313 D1322 L1323 I1338 S1339 D1340 F1341 D1404 | L1313-H1320 HydrophobicContact CD1-CB 4.27Å; H1320-D1322 PolarHBondContact O-N 2.7Å; H1320-L1323 HydrophobicContact CB-CD1 4.21Å; H1320-L1323 HydrophobicContact CB-CD2 4.3Å; H1320-L1323 HydrophobicContact CB-CG 3.88Å; H1320-I1338 WeakPolarHBondContact CD2-CG2 3.43Å; H1320-I1338 VanDerWaalsContact NE2-CG2 3.31Å; H1320-I1338 WeakPolarHBondContact NE2-CG2 3.15Å; H1320-S1339 PolarHBondContact CE1-O 3.47Å; H1320-S1339 VanDerWaalsContact CE1-O 3.3Å; H1320-S1339 PolarHBondContact NE2-O 3.18Å; H1320-S1339 VanDerWaalsContact NE2-O 3.12Å; H1320-D1340 PolarHBondContact CE1-O 3.19Å; H1320-F1341 AromaticContact CD2-CE1 3.67Å; H1320-F1341 AromaticContact CD2-CZ 3.92Å; H1320-D1404 WeakPolarHBondContact CB-OD2 3.49Å; H1320-D1404 PolarHBondContact N-OD1 3.05Å; H1320-D1404 PolarHBondContact N-OD2 2.03Å | ||
| 1321 | R | 91.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 2% | 0.023 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 63.4 | -2.3 | 178.9 | -46.7 | -170.8 | -64.6 | -175.7 | -6.2 | 117.1 | I1319 L1343 Y1375 F1399 D1404 Q1407 | I1319-R1321 HydrophobicContact CB-CG 4.46Å; I1319-R1321 HydrophobicContact CG2-CG 3.77Å; R1321-L1343 PolarHBondContact NE-O 3.27Å; R1321-L1343 PolarHBondContact NH2-O 3.32Å; R1321-Y1375 PolarHBondContact NH1-OH 3.33Å; R1321-F1399 HydrophobicContact CB-CD1 3.99Å; R1321-F1399 HydrophobicContact CB-CE1 3.75Å; R1321-F1399 HydrophobicContact CB-CZ 4.49Å; R1321-F1399 VanDerWaalsContact CD-CD1 3.47Å; R1321-F1399 HydrophobicContact CG-CD1 3.5Å; R1321-F1399 VanDerWaalsContact CG-CD1 3.5Å; R1321-F1399 HydrophobicContact CG-CE1 3.77Å; R1321-F1399 HydrophobicContact CG-CG 4.03Å; R1321-D1404 PolarHBondContact N-OD1 2.72Å; R1321-Q1407 PolarHBondContact O-NE2 2.79Å |
| 1322 | D | 92.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 9% | 0.086 | 14% | 0.135 | C | C | . | . | trans | -144.1 | 47.4 | 177.4 | -166.6 | 26.7 | 0 | 0 | 0 | 111.9 | H1320 R1326 N1327 L1343 P1385 I1388 Q1407 | H1320-D1322 PolarHBondContact O-N 2.7Å; D1322-R1326 IonicContact OD1-CZ 3.16Å; D1322-R1326 IonicContact OD1-NE 3.85Å; D1322-R1326 IonicContact OD1-NH2 2.72Å; D1322-R1326 PolarHBondContact OD1-NH2 2.94Å; D1322-N1327 PolarHBondContact O-ND2 2.82Å; D1322-N1327 PolarHBondContact OD2-ND2 2.92Å; D1322-L1343 HydrophobicContact CB-CD1 4.13Å; D1322-P1385 HydrophobicContact CB-CG 4.12Å; D1322-P1385 WeakPolarHBondContact OD1-CB 3.35Å; D1322-P1385 VanDerWaalsContact OD1-CG 3.29Å; D1322-P1385 WeakPolarHBondContact OD1-CG 3.49Å; D1322-I1388 WeakPolarHBondContact OD1-CD1 3.06Å; D1322-Q1407 VanDerWaalsContact N-OE1 3.15Å | ||
| 1323 | L | 95.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | trans | -77.7 | 121.4 | 172.9 | -72.8 | 164.8 | 0 | 0 | 0 | 110.6 | I1310 H1320 I1338 I1388 D1404 Q1407 | I1310-L1323 HydrophobicContact CD1-CD1 3.85Å; I1310-L1323 HydrophobicContact CG1-CD1 4.03Å; H1320-L1323 HydrophobicContact CB-CD1 4.21Å; H1320-L1323 HydrophobicContact CB-CD2 4.3Å; H1320-L1323 HydrophobicContact CB-CG 3.88Å; L1323-I1338 HydrophobicContact CD2-CD1 4.31Å; L1323-I1338 HydrophobicContact CD2-CG1 4.43Å; L1323-I1338 HydrophobicContact CD2-CG2 3.73Å; L1323-I1388 WeakPolarHBondContact O-CD1 3.41Å; L1323-D1404 HydrophobicContact CD1-CB 3.65Å; L1323-Q1407 HydrophobicContact CB-CB 3.85Å | ||
| 1324 | A | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -162.5 | 164.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | R1326 N1327 I1328 I1388 | A1324-R1326 HydrophobicContact CB-CG 3.82Å; A1324-R1326 VanDerWaalsContact CB-CZ 3.47Å; A1324-R1326 VanDerWaalsContact CB-NH1 3.29Å; A1324-R1326 PolarHBondContact O-N 2.9Å; A1324-R1326 VanDerWaalsContact O-N 3.08Å; A1324-N1327 PolarHBondContact O-N 3.01Å; A1324-I1328 PolarHBondContact O-N 2.82Å; A1324-I1388 HydrophobicContact CB-CD1 4.36Å |
| 1325 | T | 94.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.7 | -176.9 | 59.1 | 0 | 0 | 0 | 0 | 114 | L1248 A1249 N1327 L1411 E1414 L1415 E1419 | L1248-T1325 HydrophobicContact CD2-CG2 4.42Å; L1248-T1325 PolarHBondContact N-O 3.01Å; A1249-T1325 PolarHBondContact N-O 3.46Å; A1249-T1325 VanDerWaalsContact N-O 3.13Å; T1325-N1327 VanDerWaalsContact C-N 3.33Å; T1325-L1411 HydrophobicContact CG2-CD2 3.83Å; T1325-L1411 HydrophobicContact CG2-CG 3.88Å; T1325-E1414 HydrophobicContact CG2-CB 3.75Å; T1325-E1414 PolarHBondContact N-OE2 3.16Å; T1325-L1415 HydrophobicContact CG2-CB 4.38Å; T1325-E1419 WeakPolarHBondContact CB-OE1 3.12Å; T1325-E1419 WeakPolarHBondContact CG2-OE1 3.29Å; T1325-E1419 PolarHBondContact OG1-OE1 3.45Å |
| 1326 | R | 92.8 | Very high | 91.9 | Very high | 98 Ų | 98 | 28.9 Ų | 28.9 | 37% | 0.37 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -32.7 | 171 | 53.6 | 161.8 | -178.8 | -70.3 | -4.9 | 114.1 | S1247 D1322 A1324 | S1247-R1326 VanDerWaalsContact CB-O 3.23Å; S1247-R1326 WeakPolarHBondContact CB-O 3.38Å; D1322-R1326 IonicContact OD1-CZ 3.16Å; D1322-R1326 IonicContact OD1-NE 3.85Å; D1322-R1326 IonicContact OD1-NH2 2.72Å; D1322-R1326 PolarHBondContact OD1-NH2 2.94Å; A1324-R1326 HydrophobicContact CB-CG 3.82Å; A1324-R1326 VanDerWaalsContact CB-CZ 3.47Å; A1324-R1326 VanDerWaalsContact CB-NH1 3.29Å; A1324-R1326 PolarHBondContact O-N 2.9Å; A1324-R1326 VanDerWaalsContact O-N 3.08Å |
| 1327 | N | 94 | Very high | 92.2 | Very high | 16 Ų | 16 | 27 Ų | 27 | 9% | 0.086 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 0.2 | -172.7 | -67.7 | 0.4 | 0 | 0 | 0 | 111.9 | D1322 A1324 T1325 S1339 | D1322-N1327 PolarHBondContact O-ND2 2.82Å; D1322-N1327 PolarHBondContact OD2-ND2 2.92Å; A1324-N1327 PolarHBondContact O-N 3.01Å; T1325-N1327 VanDerWaalsContact C-N 3.33Å; N1327-S1339 PolarHBondContact O-N 2.78Å; N1327-S1339 PolarHBondContact O-OG 3.29Å |
| 1328 | I | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125.8 | 163.1 | -51 | -54.9 | 0 | 0 | 0 | 108.1 | S1247 L1248 I1306 A1324 P1336 K1337 I1338 L1411 | S1247-I1328 CarbonylContact C-O 3.58Å; S1247-I1328 WeakPolarHBondContact CA-O 3.41Å; L1248-I1328 HydrophobicContact CB-CB 3.95Å; L1248-I1328 HydrophobicContact CB-CG2 4.1Å; L1248-I1328 HydrophobicContact CD2-CB 4.25Å; L1248-I1328 HydrophobicContact CD2-CG2 4.16Å; L1248-I1328 PolarHBondContact N-O 3.17Å; I1306-I1328 HydrophobicContact CD1-CD1 4.43Å; I1306-I1328 HydrophobicContact CD1-CG1 3.98Å; I1306-I1328 HydrophobicContact CD1-CG2 4.08Å; I1306-I1328 HydrophobicContact CG1-CD1 4.15Å; I1306-I1328 HydrophobicContact CG1-CG1 4.19Å; I1306-I1328 HydrophobicContact CG1-CG2 4Å; I1306-I1328 HydrophobicContact CG2-CD1 3.95Å; A1324-I1328 PolarHBondContact O-N 2.82Å; I1328-P1336 HydrophobicContact CG2-CB 3.68Å; I1328-K1337 CarbonylContact C-O 3.48Å; I1328-K1337 WeakPolarHBondContact CA-O 3.41Å; I1328-I1338 HydrophobicContact CD1-CB 4.34Å; I1328-I1338 HydrophobicContact CD1-CG1 3.8Å; I1328-L1411 HydrophobicContact CD1-CD1 4.16Å; I1328-L1411 HydrophobicContact CG1-CD1 3.92Å |
| 1329 | L | 95.2 | Very high | 92.9 | Very high | 43 Ų | 43 | 22.2 Ų | 22.2 | 23% | 0.225 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 149.1 | 174 | -64.9 | 172.6 | 0 | 0 | 0 | 111 | I1215 C1243 K1246 P1336 K1337 S1339 | I1215-L1329 HydrophobicContact CD1-CD1 3.93Å; I1215-L1329 HydrophobicContact CG1-CD1 4.47Å; C1243-L1329 HydrophobicContact CB-CB 3.71Å; C1243-L1329 HydrophobicContact CB-CD1 4.39Å; K1246-L1329 CarbonylContact O-C 3.07Å; K1246-L1329 WeakPolarHBondContact O-CA 3.34Å; L1329-P1336 CarbonylContact O-C 3.57Å; L1329-P1336 WeakPolarHBondContact O-CA 3.32Å; L1329-K1337 PolarHBondContact N-O 3.23Å; L1329-K1337 PolarHBondContact O-N 2.89Å; L1329-S1339 WeakPolarHBondContact CG-OG 3.26Å |
| 1330 | I | 94 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 115.1 | 179.8 | -53.9 | -60.8 | 0 | 0 | 0 | 109.5 | C1243 Y1245 K1246 L1248 F1251 F1302 Y1334 P1336 | C1243-I1330 CarbonylContact C-O 3.57Å; C1243-I1330 WeakPolarHBondContact CB-O 3.14Å; Y1245-I1330 HydrophobicContact CD2-CG2 4.05Å; Y1245-I1330 PolarHBondContact N-O 3.49Å; K1246-I1330 PolarHBondContact O-N 2.89Å; L1248-I1330 HydrophobicContact CB-CD1 3.98Å; L1248-I1330 HydrophobicContact CB-CG1 4.15Å; L1248-I1330 HydrophobicContact CD1-CD1 3.84Å; L1248-I1330 HydrophobicContact CD1-CG1 4.31Å; L1248-I1330 HydrophobicContact CG-CD1 4.41Å; F1251-I1330 HydrophobicContact CB-CG1 4.07Å; F1251-I1330 HydrophobicContact CD2-CG2 4.23Å; F1251-I1330 HydrophobicContact CE2-CG2 4.29Å; F1251-I1330 HydrophobicContact CG-CG1 4.2Å; F1302-I1330 HydrophobicContact CE1-CD1 4.47Å; I1330-Y1334 HydrophobicContact CG2-CD1 4.47Å; I1330-P1336 HydrophobicContact CD1-CB 4.02Å |
| 1331 | N | 89.5 | Confident | 92.8 | Very high | 10 Ų | 10 | 24.5 Ų | 24.5 | 5% | 0.053 | 12% | 0.118 | C | C | . | . | trans | -76.8 | 178.8 | 180 | 88.2 | -8 | 0 | 0 | 0 | 112.6 | Y1245 N1333 Y1334 I1335 K1337 | Y1245-N1331 VanDerWaalsContact CD2-O 3.24Å; Y1245-N1331 WeakPolarHBondContact CD2-O 3.35Å; Y1245-N1331 WeakPolarHBondContact CE2-O 3.04Å; N1331-N1333 PolarHBondContact O-N 2.74Å; N1331-N1333 WeakPolarHBondContact OD1-CA 3.4Å; N1331-N1333 PolarHBondContact OD1-N 3.44Å; N1331-Y1334 PolarHBondContact O-N 3.03Å; N1331-Y1334 PolarHBondContact OD1-N 2.87Å; N1331-I1335 PolarHBondContact N-O 2.76Å; N1331-I1335 VanDerWaalsContact N-O 3.12Å; N1331-I1335 WeakPolarHBondContact OD1-CB 3.42Å; N1331-I1335 PolarHBondContact OD1-N 3.49Å; N1331-K1337 HydrophobicContact CB-CD 4.19Å | ||
| 1332 | H | 85.4 | Confident | 92.5 | Very high | 36 Ų | 36 | 24.5 Ų | 24.5 | 17% | 0.167 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -22.8 | -176.3 | 60.3 | -92.5 | 0 | 0 | 0 | 114.6 | I1159 L1161 K1244 | I1159-H1332 PolarHBondContact O-CE1 2.89Å; L1161-H1332 HydrophobicContact CD1-CB 4.21Å; L1161-H1332 HydrophobicContact CD2-CB 3.63Å; L1161-H1332 HydrophobicContact CG-CB 4.12Å; K1244-H1332 HydrophobicContact CB-CB 4.02Å; K1244-H1332 HydrophobicContact CD-CB 4.15Å |
| 1333 | N | 86 | Confident | 92.1 | Very high | 97 Ų | 97 | 24.4 Ų | 24.4 | 52% | 0.519 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 18.1 | 175.6 | -63.4 | -27.2 | 0 | 0 | 0 | 112.7 | N1331 I1335 | N1331-N1333 PolarHBondContact O-N 2.74Å; N1331-N1333 WeakPolarHBondContact OD1-CA 3.4Å; N1331-N1333 PolarHBondContact OD1-N 3.44Å; N1333-I1335 HydrophobicContact CB-CD1 4.25Å; N1333-I1335 HydrophobicContact CB-CG1 4.21Å; N1333-I1335 PolarHBondContact O-N 2.77Å |
| 1334 | Y | 89.1 | Confident | 91.8 | Very high | 63 Ų | 63 | 24.4 Ų | 24.4 | 25% | 0.247 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 60.9 | 18.5 | -177.1 | -47.9 | -77.7 | 0 | 0 | 0 | 114.9 | Y1245 F1251 Y1292 F1302 I1330 N1331 | Y1245-Y1334 AromaticContact CD2-CD1 3.93Å; Y1245-Y1334 HydrophobicContact CD2-CD1 3.93Å; Y1245-Y1334 AromaticContact CD2-CE1 3.86Å; Y1245-Y1334 HydrophobicContact CD2-CE1 3.86Å; Y1245-Y1334 HydrophobicContact CE1-CE1 4.39Å; Y1245-Y1334 AromaticContact CE2-CD1 3.59Å; Y1245-Y1334 HydrophobicContact CE2-CD1 3.59Å; Y1245-Y1334 AromaticContact CE2-CE1 3.2Å; Y1245-Y1334 HydrophobicContact CE2-CE1 3.2Å; Y1245-Y1334 HydrophobicContact CE2-CG 4.41Å; Y1245-Y1334 AromaticContact CE2-CZ 3.76Å; Y1245-Y1334 AromaticContact CZ-CE1 3.52Å; Y1245-Y1334 AromaticContact CZ-CZ 3.8Å; Y1245-Y1334 PolarHBondContact OH-OH 3.15Å; F1251-Y1334 AromaticContact CE2-CD1 3.78Å; F1251-Y1334 HydrophobicContact CE2-CD1 3.78Å; F1251-Y1334 AromaticContact CE2-CE1 3.93Å; F1251-Y1334 HydrophobicContact CE2-CE1 3.93Å; F1251-Y1334 AromaticContact CZ-CD1 3.6Å; F1251-Y1334 HydrophobicContact CZ-CD1 3.6Å; F1251-Y1334 AromaticContact CZ-CE1 3.95Å; F1251-Y1334 HydrophobicContact CZ-CE1 3.95Å; Y1292-Y1334 AromaticContact CD2-CD1 3.69Å; Y1292-Y1334 HydrophobicContact CD2-CD1 3.69Å; Y1292-Y1334 AromaticContact CD2-CD2 3.81Å; Y1292-Y1334 HydrophobicContact CD2-CD2 3.81Å; Y1292-Y1334 AromaticContact CD2-CE1 3.49Å; Y1292-Y1334 HydrophobicContact CD2-CE1 3.49Å; Y1292-Y1334 VanDerWaalsContact CD2-CE1 3.49Å; Y1292-Y1334 AromaticContact CD2-CE2 3.63Å; Y1292-Y1334 HydrophobicContact CD2-CE2 3.63Å; Y1292-Y1334 AromaticContact CD2-CG 3.84Å; Y1292-Y1334 HydrophobicContact CD2-CG 3.84Å; Y1292-Y1334 AromaticContact CD2-CZ 3.46Å; Y1292-Y1334 VanDerWaalsContact CD2-CZ 3.46Å; Y1292-Y1334 AromaticContact CE2-CD1 3.77Å; Y1292-Y1334 HydrophobicContact CE2-CD1 3.77Å; Y1292-Y1334 AromaticContact CE2-CD2 3.82Å; Y1292-Y1334 HydrophobicContact CE2-CD2 3.82Å; Y1292-Y1334 HydrophobicContact CE2-CE1 4.08Å; Y1292-Y1334 HydrophobicContact CE2-CE2 4.13Å; Y1292-Y1334 AromaticContact CE2-CG 3.63Å; Y1292-Y1334 HydrophobicContact CE2-CG 3.63Å; Y1292-Y1334 HydrophobicContact CG-CD1 4.15Å; Y1292-Y1334 AromaticContact CG-CE1 3.72Å; Y1292-Y1334 HydrophobicContact CG-CE1 3.72Å; Y1292-Y1334 AromaticContact CG-CZ 3.94Å; F1302-Y1334 WeakPolarHBondContact CE1-O 3.42Å; I1330-Y1334 HydrophobicContact CG2-CD1 4.47Å; N1331-Y1334 PolarHBondContact O-N 3.03Å; N1331-Y1334 PolarHBondContact OD1-N 2.87Å |
| 1335 | I | 92 | Very high | 91.4 | Very high | 56 Ų | 56 | 24.9 Ų | 24.9 | 29% | 0.287 | 12% | 0.123 | S | C | . | . | trans | -78.6 | 128.4 | 177.2 | -56.9 | 174.5 | 0 | 0 | 0 | 109.2 | N1331 N1333 | N1331-I1335 PolarHBondContact N-O 2.76Å; N1331-I1335 VanDerWaalsContact N-O 3.12Å; N1331-I1335 WeakPolarHBondContact OD1-CB 3.42Å; N1331-I1335 PolarHBondContact OD1-N 3.49Å; N1333-I1335 HydrophobicContact CB-CD1 4.25Å; N1333-I1335 HydrophobicContact CB-CG1 4.21Å; N1333-I1335 PolarHBondContact O-N 2.77Å | ||
| 1336 | P | 95.6 | Very high | 90.8 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 5% | 0.052 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 136.1 | 175.3 | 33.3 | -36.6 | 0 | 0 | 0 | 111.5 | N1213 F1302 I1306 I1328 L1329 I1330 | N1213-P1336 WeakPolarHBondContact CA-O 3.45Å; N1213-P1336 PolarHBondContact ND2-O 2.91Å; F1302-P1336 HydrophobicContact CD1-CG 4.46Å; I1306-P1336 HydrophobicContact CD1-CB 4.46Å; I1306-P1336 HydrophobicContact CG1-CB 3.88Å; I1306-P1336 HydrophobicContact CG1-CG 4.21Å; I1328-P1336 HydrophobicContact CG2-CB 3.68Å; L1329-P1336 CarbonylContact O-C 3.57Å; L1329-P1336 WeakPolarHBondContact O-CA 3.32Å; I1330-P1336 HydrophobicContact CD1-CB 4.02Å |
| 1337 | K | 95.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 121 | -176.5 | -78.3 | 173 | 171.8 | -79.8 | 0 | 111.8 | D1212 N1213 I1214 I1215 E1241 I1328 L1329 N1331 | D1212-K1337 WeakPolarHBondContact O-CE 3.37Å; D1212-K1337 VanDerWaalsContact O-CG 3.28Å; D1212-K1337 WeakPolarHBondContact O-CG 3.15Å; D1212-K1337 PolarHBondContact O-NZ 3.17Å; N1213-K1337 CarbonylContact O-C 3.55Å; N1213-K1337 WeakPolarHBondContact O-CA 3.5Å; I1214-K1337 PolarHBondContact O-NZ 2.97Å; I1215-K1337 HydrophobicContact CD1-CD 4.43Å; E1241-K1337 VanDerWaalsContact CD-CE 3.47Å; E1241-K1337 VanDerWaalsContact CD-NZ 3.3Å; E1241-K1337 WeakPolarHBondContact OE1-CE 3.44Å; E1241-K1337 IonicContact OE1-NZ 3.26Å; E1241-K1337 PolarHBondContact OE1-NZ 2.98Å; E1241-K1337 WeakPolarHBondContact OE2-CE 3.29Å; E1241-K1337 IonicContact OE2-NZ 3.9Å; E1241-K1337 PolarHBondContact OE2-NZ 2.84Å; E1241-K1337 VanDerWaalsContact OE2-NZ 3.16Å; I1328-K1337 CarbonylContact C-O 3.48Å; I1328-K1337 WeakPolarHBondContact CA-O 3.41Å; L1329-K1337 PolarHBondContact N-O 3.23Å; L1329-K1337 PolarHBondContact O-N 2.89Å; N1331-K1337 HydrophobicContact CB-CD 4.19Å |
| 1338 | I | 97.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 136.5 | 173.1 | -56.6 | 175 | 0 | 0 | 0 | 109.6 | N1213 I1214 I1215 I1310 L1313 H1320 L1323 I1328 F1341 | N1213-I1338 PolarHBondContact O-N 3.17Å; I1214-I1338 HydrophobicContact CD1-CB 4Å; I1214-I1338 HydrophobicContact CD1-CD1 3.99Å; I1214-I1338 HydrophobicContact CD1-CG1 4.35Å; I1215-I1338 WeakPolarHBondContact CB-O 3.31Å; I1215-I1338 WeakPolarHBondContact CG2-O 3.46Å; I1215-I1338 PolarHBondContact N-O 3.22Å; I1310-I1338 HydrophobicContact CG1-CD1 3.81Å; L1313-I1338 HydrophobicContact CD1-CD1 4.2Å; L1313-I1338 HydrophobicContact CD1-CG2 4.32Å; H1320-I1338 WeakPolarHBondContact CD2-CG2 3.43Å; H1320-I1338 VanDerWaalsContact NE2-CG2 3.31Å; H1320-I1338 WeakPolarHBondContact NE2-CG2 3.15Å; L1323-I1338 HydrophobicContact CD2-CD1 4.31Å; L1323-I1338 HydrophobicContact CD2-CG1 4.43Å; L1323-I1338 HydrophobicContact CD2-CG2 3.73Å; I1328-I1338 HydrophobicContact CD1-CB 4.34Å; I1328-I1338 HydrophobicContact CD1-CG1 3.8Å; I1338-F1341 HydrophobicContact CB-CZ 4.38Å; I1338-F1341 HydrophobicContact CG2-CE2 4.29Å; I1338-F1341 HydrophobicContact CG2-CZ 3.81Å |
| 1339 | S | 94.1 | Very high | 86.2 | Confident | 11 Ų | 11 | 30 Ų | 30 | 8% | 0.077 | 16% | 0.161 | C | C | . | . | trans | -151.5 | 171.7 | -173 | 74.7 | 0 | 0 | 0 | 0 | 113.9 | H1320 N1327 L1329 | H1320-S1339 PolarHBondContact CE1-O 3.47Å; H1320-S1339 VanDerWaalsContact CE1-O 3.3Å; H1320-S1339 PolarHBondContact NE2-O 3.18Å; H1320-S1339 VanDerWaalsContact NE2-O 3.12Å; N1327-S1339 PolarHBondContact O-N 2.78Å; N1327-S1339 PolarHBondContact O-OG 3.29Å; L1329-S1339 WeakPolarHBondContact CG-OG 3.26Å | ||
| 1340 | D | 90.3 | Very high | 83.9 | Confident | 48 Ų | 48 | 32 Ų | 32 | 26% | 0.257 | 17% | 0.171 | S | C | . | . | trans | 65.8 | 59.9 | -174 | -152.4 | 5.6 | 0 | 0 | 0 | 114.3 | K1173 H1320 G1342 | K1173-D1340 IonicContact NZ-OD1 2.97Å; K1173-D1340 PolarHBondContact NZ-OD1 3.31Å; H1320-D1340 PolarHBondContact CE1-O 3.19Å; D1340-G1342 PolarHBondContact O-N 2.68Å | ||
| 1341 | F | 91.5 | Very high | 81.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -73 | 10.6 | 177.2 | -68 | -95.3 | 0 | 0 | 0 | 113.6 | N1200 E1201 I1204 L1205 L1208 I1214 I1215 L1313 V1318 H1320 I1338 L1343 A1344 | N1200-F1341 PolarHBondContact ND2-O 3.03Å; E1201-F1341 HydrophobicContact CG-CB 4.15Å; I1204-F1341 HydrophobicContact CG2-CB 4.23Å; I1204-F1341 HydrophobicContact CG2-CD1 3.73Å; I1204-F1341 HydrophobicContact CG2-CE1 4.48Å; I1204-F1341 HydrophobicContact CG2-CG 4.2Å; L1205-F1341 HydrophobicContact CD2-CD2 3.52Å; L1205-F1341 HydrophobicContact CD2-CE2 3.82Å; L1205-F1341 HydrophobicContact CD2-CG 4.16Å; L1205-F1341 HydrophobicContact CG-CD2 4.18Å; L1208-F1341 HydrophobicContact CD1-CD1 4.2Å; L1208-F1341 HydrophobicContact CD1-CE1 3.78Å; L1208-F1341 HydrophobicContact CD1-CZ 4.1Å; I1214-F1341 HydrophobicContact CD1-CZ 4.38Å; I1214-F1341 HydrophobicContact CG2-CE2 3.93Å; I1214-F1341 HydrophobicContact CG2-CZ 3.9Å; I1215-F1341 HydrophobicContact CG2-CD2 4.38Å; I1215-F1341 HydrophobicContact CG2-CE2 4.17Å; L1313-F1341 HydrophobicContact CD1-CE1 3.93Å; L1313-F1341 HydrophobicContact CD1-CZ 4.27Å; L1313-F1341 HydrophobicContact CD2-CE1 3.62Å; L1313-F1341 HydrophobicContact CD2-CZ 3.92Å; L1313-F1341 HydrophobicContact CG-CE1 4.45Å; V1318-F1341 HydrophobicContact CG1-CD1 4.38Å; V1318-F1341 HydrophobicContact CG1-CE1 4.34Å; H1320-F1341 AromaticContact CD2-CE1 3.67Å; H1320-F1341 AromaticContact CD2-CZ 3.92Å; I1338-F1341 HydrophobicContact CB-CZ 4.38Å; I1338-F1341 HydrophobicContact CG2-CE2 4.29Å; I1338-F1341 HydrophobicContact CG2-CZ 3.81Å; F1341-L1343 PolarHBondContact O-N 2.78Å; F1341-A1344 HydrophobicContact CB-CB 3.98Å; F1341-A1344 HydrophobicContact CD1-CB 3.66Å; F1341-A1344 HydrophobicContact CG-CB 4.29Å; F1341-A1344 WeakPolarHBondContact O-CB 3.29Å; F1341-A1344 PolarHBondContact O-N 3.42Å |
| 1342 | G | 85.2 | Confident | 79.1 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -58.9 | -27.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1340 | D1340-G1342 PolarHBondContact O-N 2.68Š|
| 1343 | L | 85 | Confident | 77 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 7% | 0.073 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -101 | -3 | 173.2 | -68.3 | -178.7 | 0 | 0 | 0 | 114.5 | R1321 D1322 F1341 | R1321-L1343 PolarHBondContact NE-O 3.27Å; R1321-L1343 PolarHBondContact NH2-O 3.32Å; D1322-L1343 HydrophobicContact CB-CD1 4.13Å; F1341-L1343 PolarHBondContact O-N 2.78Å |
| 1344 | A | 88.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -71.1 | 165 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1200 I1204 V1318 I1319 F1341 | N1200-A1344 PolarHBondContact ND2-O 3.32Å; I1204-A1344 HydrophobicContact CD1-CB 3.64Å; V1318-A1344 HydrophobicContact CG1-CB 4.18Å; I1319-A1344 CarbonylContact O-C 3.33Å; I1319-A1344 VanDerWaalsContact O-CA 3.26Å; I1319-A1344 WeakPolarHBondContact O-CA 3.27Å; I1319-A1344 WeakPolarHBondContact O-CB 3.16Å; F1341-A1344 HydrophobicContact CB-CB 3.98Å; F1341-A1344 HydrophobicContact CD1-CB 3.66Å; F1341-A1344 HydrophobicContact CG-CB 4.29Å; F1341-A1344 WeakPolarHBondContact O-CB 3.29Å; F1341-A1344 PolarHBondContact O-N 3.42Å | ||
| 1345 | V | 85.6 | Confident | 72.5 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 149.9 | 173.1 | -69.8 | 0 | 0 | 0 | 0 | 110.3 | V1318 I1319 Y1375 | V1318-V1345 CarbonylContact C-O 3.59Å; V1318-V1345 VanDerWaalsContact CA-O 3.32Å; V1318-V1345 WeakPolarHBondContact CA-O 3.5Å; I1319-V1345 HydrophobicContact CB-CG2 3.97Å; I1319-V1345 PolarHBondContact N-O 3.23Å; I1319-V1345 PolarHBondContact O-N 2.86Å; V1345-Y1375 HydrophobicContact CB-CD2 4.3Å; V1345-Y1375 HydrophobicContact CB-CE2 4.29Å; V1345-Y1375 HydrophobicContact CG1-CD2 4.26Å; V1345-Y1375 HydrophobicContact CG1-CE1 4.23Å; V1345-Y1375 HydrophobicContact CG1-CE2 3.77Å; V1345-Y1375 HydrophobicContact CG2-CD1 4.23Å; V1345-Y1375 HydrophobicContact CG2-CD2 4.26Å; V1345-Y1375 HydrophobicContact CG2-CG 4.07Å |
| 1346 | Q | 82.4 | Confident | 70.3 | Confident | 62 Ų | 62 | 52.6 Ų | 52.6 | 29% | 0.29 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.5 | 172.8 | -167.2 | 170.8 | 18.5 | 0 | 0 | 108.9 | N1207 N1316 Y1317 V1318 | N1207-Q1346 PolarHBondContact ND2-OE1 3.12Å; N1316-Q1346 PolarHBondContact O-NE2 2.78Å; N1316-Q1346 VanDerWaalsContact O-NE2 3.13Å; Y1317-Q1346 CarbonylContact O-C 3.53Å; Y1317-Q1346 WeakPolarHBondContact O-CA 3.4Å; V1318-Q1346 HydrophobicContact CG2-CB 4.42Å; V1318-Q1346 HydrophobicContact CG2-CG 4.22Å |
| 1347 | M | 75.3 | Confident | 67.9 | Low | 18 Ų | 18 | 57 Ų | 57 | 9% | 0.089 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 148 | 175 | -61.8 | 178.6 | 68.2 | 0 | 0 | 110.5 | Y1317 I1319 L1370 F1401 | Y1317-M1347 WeakPolarHBondContact CB-O 3.24Å; Y1317-M1347 PolarHBondContact O-N 2.99Å; I1319-M1347 HydrophobicContact CD1-CG 4.28Å; I1319-M1347 HydrophobicContact CD1-SD 3.64Å; I1319-M1347 HydrophobicContact CG1-SD 4.23Å; M1347-L1370 HydrophobicContact CB-CD2 4.06Å; M1347-L1370 HydrophobicContact CE-CD2 4.46Å; M1347-L1370 HydrophobicContact CG-CD2 3.86Å; M1347-F1401 HydrophobicContact CG-CZ 4.33Å; M1347-F1401 HydrophobicContact SD-CD2 4.4Å; M1347-F1401 HydrophobicContact SD-CE1 4.16Å; M1347-F1401 HydrophobicContact SD-CE2 3.65Å; M1347-F1401 HydrophobicContact SD-CZ 3.5Å; M1347-F1401 WeakPolarHBondContact SD-CZ 3.48Å |
| 1348 | T | 60.5 | Low | 65.4 | Low | 70 Ų | 70 | 60.9 Ų | 60.9 | 43% | 0.429 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 129.6 | 172.4 | 50.1 | 0 | 0 | 0 | 0 | 110.3 | L1370 | T1348-L1370 HydrophobicContact CG2-CD1 4.36Š|
| 1349 | P | 51.6 | Low | 62.5 | Low | 74 Ų | 74 | 67 Ų | 67 | 48% | 0.481 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 141.1 | 171.3 | 28.7 | -33.7 | 0 | 0 | 0 | 110.9 | Y1317 N1351 | Y1317-P1349 HydrophobicContact CE1-CB 4.34Å; P1349-N1351 VanDerWaalsContact C-N 3.3Å; P1349-N1351 PolarHBondContact O-N 3.47Å |
| 1350 | I | 48.2 | Very low | 59.8 | Low | 85 Ų | 85 | 70.1 Ų | 70.1 | 44% | 0.436 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -60.7 | -35 | -166.4 | -58.8 | 165.8 | 0 | 0 | 0 | 112.9 | G1352 D1372 | I1350-G1352 PolarHBondContact O-N 3.46Å; I1350-D1372 HydrophobicContact CD1-CB 3.73Å; I1350-D1372 HydrophobicContact CG1-CB 4.49Å |
| 1351 | N | 41.6 | Very low | 57.3 | Low | 167 Ų | 167 | 74.8 Ų | 74.8 | 89% | 0.893 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 27.9 | -165.9 | -57.5 | 11.8 | 0 | 0 | 0 | 115.5 | P1349 | P1349-N1351 VanDerWaalsContact C-N 3.3Å; P1349-N1351 PolarHBondContact O-N 3.47Å |
| 1352 | G | 40.3 | Very low | 54.7 | Low | 50 Ų | 50 | 80.6 Ų | 80.6 | 52% | 0.515 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.6 | 7.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116 | I1350 Q1357 | I1350-G1352 PolarHBondContact O-N 3.46Å; G1352-Q1357 PolarHBondContact O-NE2 3Å |
| 1353 | L | 42.1 | Very low | 52.2 | Low | 88 Ų | 88 | 82.9 Ų | 82.9 | 46% | 0.461 | 46% | 0.455 | S | S | . | . | trans | -95.8 | 100.9 | -173.4 | -73.3 | 160.5 | 0 | 0 | 0 | 111.7 | Q1357 | L1353-Q1357 HydrophobicContact CD2-CB 3.88Š| ||
| 1354 | I | 38.3 | Very low | 49.8 | Very low | 119 Ų | 119 | 89 Ų | 89 | 61% | 0.61 | 48% | 0.484 | S | S | * | . | trans | -77.8 | 144.4 | 161.3 | -58.4 | 174.7 | 0 | 0 | 0 | 107.8 | D1356 Q1357 | I1354-D1356 PolarHBondContact O-N 3.38Å; I1354-Q1357 PolarHBondContact O-N 3.44Å | ||
| 1355 | N | 42.2 | Very low | 47.3 | Very low | 138 Ų | 138 | 94.7 Ų | 94.7 | 74% | 0.738 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -49.1 | -24.7 | -173 | -67.2 | -14.8 | 0 | 0 | 0 | 115.6 | Q1357 I1358 | N1355-Q1357 PolarHBondContact O-N 3.04Å; N1355-I1358 WeakPolarHBondContact O-CD1 3.25Å; N1355-I1358 WeakPolarHBondContact O-CG1 3.37Å |
| 1356 | D | 46.1 | Very low | 45.1 | Very low | 133 Ų | 133 | 97.1 Ų | 97.1 | 71% | 0.711 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -68.5 | -17.9 | -179.9 | -54.2 | -45.6 | 0 | 0 | 0 | 113.9 | I1354 I1358 | I1354-D1356 PolarHBondContact O-N 3.38Å; D1356-I1358 PolarHBondContact O-N 3.11Å; D1356-I1358 VanDerWaalsContact O-N 3.14Å |
| 1357 | Q | 44.7 | Very low | 43.3 | Very low | 101 Ų | 101 | 98.7 Ų | 98.7 | 47% | 0.472 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -77.7 | 7.7 | -174.8 | -64.4 | -179 | 51.8 | 0 | 0 | 114.6 | G1352 L1353 I1354 N1355 Y1359 | G1352-Q1357 PolarHBondContact O-NE2 3Å; L1353-Q1357 HydrophobicContact CD2-CB 3.88Å; I1354-Q1357 PolarHBondContact O-N 3.44Å; N1355-Q1357 PolarHBondContact O-N 3.04Å; Q1357-Y1359 VanDerWaalsContact C-N 3.26Å; Q1357-Y1359 PolarHBondContact O-N 3.12Å |
| 1358 | I | 43.1 | Very low | 41.7 | Very low | 83 Ų | 83 | 99.3 Ų | 99.3 | 43% | 0.426 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -71.8 | -20.6 | 178.1 | -65.6 | 171.7 | 0 | 0 | 0 | 112.3 | N1355 D1356 F1365 N1366 | N1355-I1358 WeakPolarHBondContact O-CD1 3.25Å; N1355-I1358 WeakPolarHBondContact O-CG1 3.37Å; D1356-I1358 PolarHBondContact O-N 3.11Å; D1356-I1358 VanDerWaalsContact O-N 3.14Å; I1358-F1365 HydrophobicContact CG2-CD1 4.31Å; I1358-F1365 HydrophobicContact CG2-CE1 3.84Å; I1358-F1365 HydrophobicContact CG2-CE2 4.45Å; I1358-F1365 HydrophobicContact CG2-CZ 3.91Å; I1358-N1366 PolarHBondContact O-N 3.19Å; I1358-N1366 PolarHBondContact O-ND2 3.26Å |
| 1359 | Y | 36.3 | Very low | 40.8 | Very low | 127 Ų | 127 | 100.2 Ų | 100.2 | 50% | 0.498 | 53% | 0.532 | S | S | . | . | B | Isolated β-bridge | trans | -110.6 | 147.9 | -175.9 | -58.8 | -93 | 0 | 0 | 0 | 112.1 | Q1357 F1365 | Q1357-Y1359 VanDerWaalsContact C-N 3.26Å; Q1357-Y1359 PolarHBondContact O-N 3.12Å; Y1359-F1365 HydrophobicContact CD1-CD2 4.23Å; Y1359-F1365 AromaticContact CE1-CD2 3.48Å; Y1359-F1365 HydrophobicContact CE1-CD2 3.48Å; Y1359-F1365 VanDerWaalsContact CE1-CD2 3.48Å; Y1359-F1365 AromaticContact CE1-CE2 3.87Å; Y1359-F1365 HydrophobicContact CE1-CE2 3.87Å; Y1359-F1365 HydrophobicContact CE1-CG 4.32Å; Y1359-F1365 AromaticContact CZ-CD2 3.96Å; Y1359-F1365 AromaticContact CZ-CE2 3.84Å; Y1359-F1365 WeakPolarHBondContact OH-CE2 3.17Å |
| 1360 | N | 36 | Very low | 40.6 | Very low | 78 Ų | 78 | 100 Ų | 100 | 42% | 0.417 | 53% | 0.526 | S | S | . | . | trans | -76.2 | 166 | 169.3 | -73.4 | -80.1 | 0 | 0 | 0 | 111.5 | D1362 G1363 E1364 N1366 | N1360-D1362 PolarHBondContact O-N 2.9Å; N1360-G1363 PolarHBondContact O-N 2.88Å; N1360-E1364 PolarHBondContact N-O 3.45Å; N1360-E1364 PolarHBondContact ND2-O 3.2Å; N1360-N1366 PolarHBondContact ND2-OD1 3.45Å | ||
| 1361 | I | 38.3 | Very low | 40.5 | Very low | 145 Ų | 145 | 99 Ų | 99 | 74% | 0.744 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -27.4 | 176.6 | -59.4 | 170.3 | 0 | 0 | 0 | 111.9 | T1079 G1363 | T1079-I1361 HydrophobicContact CG2-CD1 4.05Å; I1361-G1363 VanDerWaalsContact C-N 3.34Å |
| 1362 | D | 36.5 | Very low | 40.8 | Very low | 123 Ų | 123 | 96.6 Ų | 96.6 | 66% | 0.658 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 2.3 | 179.4 | -53.4 | -63 | 0 | 0 | 0 | 113.9 | N1360 E1364 | N1360-D1362 PolarHBondContact O-N 2.9Å; D1362-E1364 VanDerWaalsContact C-N 3.28Å; D1362-E1364 PolarHBondContact O-N 3.2Å |
| 1363 | G | 33.6 | Very low | 42 | Very low | 54 Ų | 54 | 99.8 Ų | 99.8 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | S | Bend | trans | 80.9 | -3.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | N1360 I1361 | N1360-G1363 PolarHBondContact O-N 2.88Å; I1361-G1363 VanDerWaalsContact C-N 3.34Å |
| 1364 | E | 35 | Very low | 43.4 | Very low | 142 Ų | 142 | 97.2 Ų | 97.2 | 66% | 0.664 | 49% | 0.494 | S | S | * | . | trans | -72.3 | 132.2 | 174.7 | -67 | -170 | 145.8 | 0 | 0 | 111.6 | N1360 D1362 | N1360-E1364 PolarHBondContact N-O 3.45Å; N1360-E1364 PolarHBondContact ND2-O 3.2Å; D1362-E1364 VanDerWaalsContact C-N 3.28Å; D1362-E1364 PolarHBondContact O-N 3.2Å | ||
| 1365 | F | 36.7 | Very low | 45.2 | Very low | 121 Ų | 121 | 92 Ų | 92 | 53% | 0.531 | 47% | 0.467 | S | S | . | . | B | Isolated β-bridge | trans | -56.1 | 140 | 170.6 | -138.9 | -82.9 | 0 | 0 | 0 | 109.8 | I1358 Y1359 E1367 | I1358-F1365 HydrophobicContact CG2-CD1 4.31Å; I1358-F1365 HydrophobicContact CG2-CE1 3.84Å; I1358-F1365 HydrophobicContact CG2-CE2 4.45Å; I1358-F1365 HydrophobicContact CG2-CZ 3.91Å; Y1359-F1365 HydrophobicContact CD1-CD2 4.23Å; Y1359-F1365 AromaticContact CE1-CD2 3.48Å; Y1359-F1365 HydrophobicContact CE1-CD2 3.48Å; Y1359-F1365 VanDerWaalsContact CE1-CD2 3.48Å; Y1359-F1365 AromaticContact CE1-CE2 3.87Å; Y1359-F1365 HydrophobicContact CE1-CE2 3.87Å; Y1359-F1365 HydrophobicContact CE1-CG 4.32Å; Y1359-F1365 AromaticContact CZ-CD2 3.96Å; Y1359-F1365 AromaticContact CZ-CE2 3.84Å; Y1359-F1365 WeakPolarHBondContact OH-CE2 3.17Å; F1365-E1367 PolarHBondContact O-N 2.97Å |
| 1366 | N | 39.5 | Very low | 46.8 | Very low | 61 Ų | 61 | 90.1 Ų | 90.1 | 33% | 0.326 | 45% | 0.449 | S | S | . | . | trans | -65.2 | 100.7 | 175 | -85.8 | -55.2 | 0 | 0 | 0 | 111.4 | I1358 N1360 D1368 | I1358-N1366 PolarHBondContact O-N 3.19Å; I1358-N1366 PolarHBondContact O-ND2 3.26Å; N1360-N1366 PolarHBondContact ND2-OD1 3.45Å; N1366-D1368 PolarHBondContact O-N 3.46Å; N1366-D1368 VanDerWaalsContact O-N 3.09Å | ||
| 1367 | E | 43 | Very low | 47.9 | Very low | 95 Ų | 95 | 84.3 Ų | 84.3 | 44% | 0.444 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -61.8 | -9.3 | 177.9 | -89.9 | -162.9 | 171.9 | 0 | 0 | 114 | F1365 L1378 T1379 R1381 | F1365-E1367 PolarHBondContact O-N 2.97Å; E1367-L1378 WeakPolarHBondContact O-CB 3.5Å; E1367-L1378 WeakPolarHBondContact O-CD1 3.3Å; E1367-L1378 VanDerWaalsContact O-CG 3.25Å; E1367-L1378 WeakPolarHBondContact O-CG 3.47Å; E1367-T1379 VanDerWaalsContact CD-CG2 3.46Å; E1367-T1379 HydrophobicContact CG-CG2 4.24Å; E1367-T1379 WeakPolarHBondContact OE2-CG2 3.46Å; E1367-T1379 PolarHBondContact OE2-OG1 2.92Å; E1367-R1381 VanDerWaalsContact CD-NH1 3.32Å; E1367-R1381 IonicContact OE1-CZ 2.65Å; E1367-R1381 IonicContact OE1-NH1 2.7Å; E1367-R1381 PolarHBondContact OE1-NH1 2.94Å; E1367-R1381 IonicContact OE2-NH1 2.74Å; E1367-R1381 PolarHBondContact OE2-NH1 2.95Å |
| 1368 | D | 42.4 | Very low | 48.5 | Very low | 31 Ų | 31 | 83.1 Ų | 83.1 | 17% | 0.166 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -122.1 | 108.4 | 173.3 | -68 | -43.1 | 0 | 0 | 0 | 109 | N1366 L1370 Y1375 V1377 L1378 K1382 | N1366-D1368 PolarHBondContact O-N 3.46Å; N1366-D1368 VanDerWaalsContact O-N 3.09Å; D1368-L1370 PolarHBondContact O-N 3.27Å; D1368-Y1375 HydrophobicContact CB-CD2 4.35Å; D1368-Y1375 HydrophobicContact CB-CE2 3.5Å; D1368-Y1375 PolarHBondContact OD1-OH 2.86Å; D1368-Y1375 PolarHBondContact OD2-OH 3.34Å; D1368-V1377 WeakPolarHBondContact OD1-CA 3.29Å; D1368-L1378 PolarHBondContact OD1-N 3.45Å; D1368-K1382 IonicContact OD1-NZ 3.18Å; D1368-K1382 IonicContact OD2-NZ 2.74Å; D1368-K1382 PolarHBondContact OD2-NZ 3.43Å |
| 1369 | Q | 42 | Very low | 48.9 | Very low | 89 Ų | 89 | 80.4 Ų | 80.4 | 42% | 0.416 | 40% | 0.402 | S | S | . | . | trans | -74.1 | 124.1 | 177.6 | -80.5 | 179.5 | -22 | 0 | 0 | 111.3 | I1371 R1376 L1378 | Q1369-I1371 HydrophobicContact CB-CD1 4.31Å; Q1369-I1371 HydrophobicContact CB-CG1 4.28Å; Q1369-R1376 PolarHBondContact O-N 3.26Å; Q1369-L1378 HydrophobicContact CB-CD1 4.46Å; Q1369-L1378 HydrophobicContact CG-CD1 4.15Å | ||
| 1370 | L | 47.1 | Very low | 49.6 | Very low | 69 Ų | 69 | 80.3 Ų | 80.3 | 36% | 0.361 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 123.3 | 161.4 | -75.9 | 158.2 | 0 | 0 | 0 | 108 | M1347 T1348 D1368 Y1375 | M1347-L1370 HydrophobicContact CB-CD2 4.06Å; M1347-L1370 HydrophobicContact CE-CD2 4.46Å; M1347-L1370 HydrophobicContact CG-CD2 3.86Å; T1348-L1370 HydrophobicContact CG2-CD1 4.36Å; D1368-L1370 PolarHBondContact O-N 3.27Å; L1370-Y1375 HydrophobicContact CD2-CD2 4.23Å |
| 1371 | I | 45 | Very low | 50.2 | Low | 66 Ų | 66 | 85 Ų | 85 | 34% | 0.338 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 99.5 | 178.4 | -59.7 | 170.3 | 0 | 0 | 0 | 106.5 | Q1369 E1373 Y1374 | Q1369-I1371 HydrophobicContact CB-CD1 4.31Å; Q1369-I1371 HydrophobicContact CB-CG1 4.28Å; I1371-E1373 PolarHBondContact O-N 3.46Å; I1371-Y1374 HydrophobicContact CB-CE1 4.16Å; I1371-Y1374 HydrophobicContact CG2-CE1 4.22Å; I1371-Y1374 PolarHBondContact N-O 3.38Å; I1371-Y1374 VanDerWaalsContact N-O 3.13Å; I1371-Y1374 PolarHBondContact O-N 3.29Å |
| 1372 | D | 49.1 | Very low | 50.9 | Low | 116 Ų | 116 | 81.2 Ų | 81.2 | 62% | 0.62 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 35.5 | -54.5 | 174.6 | -62.2 | -4.5 | 0 | 0 | 0 | 119.3 | I1350 | I1350-D1372 HydrophobicContact CD1-CB 3.73Å; I1350-D1372 HydrophobicContact CG1-CB 4.49Å |
| 1373 | E | 64.8 | Low | 52.3 | Low | 116 Ų | 116 | 80.8 Ų | 80.8 | 54% | 0.542 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | -19.4 | -176.9 | -54 | -176 | 146.5 | 0 | 0 | 113.9 | I1371 Y1400 H1499 | I1371-E1373 PolarHBondContact O-N 3.46Å; E1373-Y1400 HydrophobicContact CB-CE1 4.15Å; E1373-Y1400 VanDerWaalsContact O-CD1 3.28Å; E1373-Y1400 WeakPolarHBondContact O-CD1 3.33Å; E1373-H1499 IonicContact OE2-CE1 2.73Å; E1373-H1499 PolarHBondContact OE2-CE1 2.91Å |
| 1374 | Y | 72.1 | Confident | 54.2 | Low | 34 Ų | 34 | 80.2 Ų | 80.2 | 13% | 0.133 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 156.6 | -172.5 | 66.4 | -82.2 | 0 | 0 | 0 | 114.8 | I1371 R1376 K1398 F1399 Y1400 | I1371-Y1374 HydrophobicContact CB-CE1 4.16Å; I1371-Y1374 HydrophobicContact CG2-CE1 4.22Å; I1371-Y1374 PolarHBondContact N-O 3.38Å; I1371-Y1374 VanDerWaalsContact N-O 3.13Å; I1371-Y1374 PolarHBondContact O-N 3.29Å; Y1374-R1376 HydrophobicContact CD2-CB 4.18Å; Y1374-R1376 HydrophobicContact CE2-CB 4Å; Y1374-R1376 HydrophobicContact CE2-CG 4.46Å; Y1374-K1398 HydrophobicContact CD1-CD 4.47Å; Y1374-K1398 HydrophobicContact CD2-CB 3.93Å; Y1374-K1398 HydrophobicContact CD2-CD 3.67Å; Y1374-K1398 HydrophobicContact CD2-CG 3.55Å; Y1374-K1398 HydrophobicContact CE1-CD 4.44Å; Y1374-K1398 HydrophobicContact CE2-CD 3.61Å; Y1374-K1398 HydrophobicContact CE2-CG 3.65Å; Y1374-K1398 HydrophobicContact CG-CB 4.47Å; Y1374-K1398 HydrophobicContact CG-CD 4.12Å; Y1374-K1398 HydrophobicContact CG-CG 4.36Å; Y1374-F1399 WeakPolarHBondContact CA-O 3.2Å; Y1374-Y1400 HydrophobicContact CD1-CE1 4.24Å; Y1374-Y1400 HydrophobicContact CG-CE1 4.35Å |
| 1375 | Y | 76 | Confident | 56.6 | Low | 11 Ų | 11 | 74.8 Ų | 74.8 | 4% | 0.043 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 138.7 | 165.8 | 163.3 | -79 | 0 | 0 | 0 | 109.3 | R1321 V1345 D1368 L1370 V1377 K1382 K1398 F1399 | R1321-Y1375 PolarHBondContact NH1-OH 3.33Å; V1345-Y1375 HydrophobicContact CB-CD2 4.3Å; V1345-Y1375 HydrophobicContact CB-CE2 4.29Å; V1345-Y1375 HydrophobicContact CG1-CD2 4.26Å; V1345-Y1375 HydrophobicContact CG1-CE1 4.23Å; V1345-Y1375 HydrophobicContact CG1-CE2 3.77Å; V1345-Y1375 HydrophobicContact CG2-CD1 4.23Å; V1345-Y1375 HydrophobicContact CG2-CD2 4.26Å; V1345-Y1375 HydrophobicContact CG2-CG 4.07Å; D1368-Y1375 HydrophobicContact CB-CD2 4.35Å; D1368-Y1375 HydrophobicContact CB-CE2 3.5Å; D1368-Y1375 PolarHBondContact OD1-OH 2.86Å; D1368-Y1375 PolarHBondContact OD2-OH 3.34Å; L1370-Y1375 HydrophobicContact CD2-CD2 4.23Å; Y1375-V1377 HydrophobicContact CE1-CG2 3.64Å; Y1375-K1382 PolarHBondContact OH-NZ 3.14Å; Y1375-K1398 CarbonylContact O-C 3.51Å; Y1375-K1398 WeakPolarHBondContact O-CA 3.34Å; Y1375-F1399 HydrophobicContact CD1-CB 4.31Å; Y1375-F1399 HydrophobicContact CD1-CD2 4.24Å; Y1375-F1399 HydrophobicContact CE1-CD2 4.47Å; Y1375-F1399 PolarHBondContact N-O 3.27Å; Y1375-F1399 PolarHBondContact O-N 3.04Å |
| 1376 | R | 75.6 | Confident | 58.9 | Low | 98 Ų | 98 | 73.1 Ų | 73.1 | 37% | 0.37 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.4 | 179.4 | -165.7 | -179.8 | 177.5 | -165.8 | -1.5 | 111.9 | Q1369 Y1374 L1378 H1397 K1398 | Q1369-R1376 PolarHBondContact O-N 3.26Å; Y1374-R1376 HydrophobicContact CD2-CB 4.18Å; Y1374-R1376 HydrophobicContact CE2-CB 4Å; Y1374-R1376 HydrophobicContact CE2-CG 4.46Å; R1376-L1378 HydrophobicContact CB-CD2 4.33Å; R1376-L1378 HydrophobicContact CG-CD2 3.85Å; R1376-L1378 PolarHBondContact O-N 3.09Å; R1376-H1397 WeakPolarHBondContact CA-O 3.41Å; R1376-K1398 HydrophobicContact CG-CG 4.46Å |
| 1377 | V | 69.2 | Low | 61.1 | Low | 10 Ų | 10 | 74.8 Ų | 74.8 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | trans | -76.8 | 117.8 | 169.6 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | D1368 Y1375 T1379 H1397 F1399 | D1368-V1377 WeakPolarHBondContact OD1-CA 3.29Å; Y1375-V1377 HydrophobicContact CE1-CG2 3.64Å; V1377-T1379 VanDerWaalsContact CG1-O 3.27Å; V1377-T1379 WeakPolarHBondContact CG1-O 3.49Å; V1377-H1397 HydrophobicContact CB-CB 4.28Å; V1377-H1397 PolarHBondContact N-O 2.59Å; V1377-F1399 HydrophobicContact CG2-CD2 4.33Å; V1377-F1399 HydrophobicContact CG2-CE2 3.93Å | ||
| 1378 | L | 56.9 | Low | 63.4 | Low | 76 Ų | 76 | 70.6 Ų | 70.6 | 40% | 0.398 | 34% | 0.339 | S | S | . | . | trans | -96 | -23.4 | 173.9 | -46.5 | -179.6 | 0 | 0 | 0 | 113.1 | E1367 D1368 Q1369 R1376 | E1367-L1378 WeakPolarHBondContact O-CB 3.5Å; E1367-L1378 WeakPolarHBondContact O-CD1 3.3Å; E1367-L1378 VanDerWaalsContact O-CG 3.25Å; E1367-L1378 WeakPolarHBondContact O-CG 3.47Å; D1368-L1378 PolarHBondContact OD1-N 3.45Å; Q1369-L1378 HydrophobicContact CB-CD1 4.46Å; Q1369-L1378 HydrophobicContact CG-CD1 4.15Å; R1376-L1378 HydrophobicContact CB-CD2 4.33Å; R1376-L1378 HydrophobicContact CG-CD2 3.85Å; R1376-L1378 PolarHBondContact O-N 3.09Å | ||
| 1379 | T | 51.4 | Low | 65.7 | Low | 26 Ų | 26 | 69.3 Ų | 69.3 | 16% | 0.16 | 33% | 0.332 | C | S | . | . | trans | -111.6 | 127.5 | 179.6 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | E1367 V1377 R1381 | E1367-T1379 VanDerWaalsContact CD-CG2 3.46Å; E1367-T1379 HydrophobicContact CG-CG2 4.24Å; E1367-T1379 WeakPolarHBondContact OE2-CG2 3.46Å; E1367-T1379 PolarHBondContact OE2-OG1 2.92Å; V1377-T1379 VanDerWaalsContact CG1-O 3.27Å; V1377-T1379 WeakPolarHBondContact CG1-O 3.49Å; T1379-R1381 PolarHBondContact O-N 3.22Å | ||
| 1380 | P | 51.5 | Low | 68.2 | Low | 126 Ų | 126 | 65 Ų | 65 | 82% | 0.818 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | 21.2 | -175.6 | 32.8 | -37.7 | 0 | 0 | 0 | 114 | ||
| 1381 | R | 47.8 | Very low | 70.3 | Confident | 177 Ų | 177 | 61.9 Ų | 61.9 | 67% | 0.668 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -22.1 | -175.6 | -65.5 | 176.6 | 177.9 | 136 | -4.5 | 113.4 | E1367 T1379 | E1367-R1381 VanDerWaalsContact CD-NH1 3.32Å; E1367-R1381 IonicContact OE1-CZ 2.65Å; E1367-R1381 IonicContact OE1-NH1 2.7Å; E1367-R1381 PolarHBondContact OE1-NH1 2.94Å; E1367-R1381 IonicContact OE2-NH1 2.74Å; E1367-R1381 PolarHBondContact OE2-NH1 2.95Å; T1379-R1381 PolarHBondContact O-N 3.22Å |
| 1382 | K | 54 | Low | 72.5 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 28% | 0.278 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -90.6 | 121.8 | -178.9 | -64.5 | 165.5 | -172.6 | 159.4 | 0 | 109.6 | D1368 Y1375 | D1368-K1382 IonicContact OD1-NZ 3.18Å; D1368-K1382 IonicContact OD2-NZ 2.74Å; D1368-K1382 PolarHBondContact OD2-NZ 3.43Å; Y1375-K1382 PolarHBondContact OH-NZ 3.14Å |
| 1383 | K | 64.5 | Low | 74.5 | Confident | 115 Ų | 115 | 53.8 Ų | 53.8 | 50% | 0.5 | 25% | 0.253 | S | S | . | . | trans | -73.7 | 132.6 | 173.1 | -64.1 | -179.9 | -173.5 | 178.3 | 0 | 109.3 | H1134 Y1135 | H1134-K1383 PolarHBondContact NE2-NZ 2.84Å; Y1135-K1383 PolarHBondContact OH-O 3.04Å | ||
| 1384 | L | 75 | Confident | 75.6 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 22% | 0.22 | 23% | 0.229 | C | C | . | . | trans | -123.8 | 152 | -173.9 | -64.9 | 172.1 | 0 | 0 | 0 | 112.2 | L1386 L1389 F1399 | L1384-L1386 VanDerWaalsContact C-N 3.29Å; L1384-L1386 PolarHBondContact O-N 2.89Å; L1384-L1389 HydrophobicContact CB-CD1 4.02Å; L1384-F1399 HydrophobicContact CD1-CE2 4.43Å; L1384-F1399 HydrophobicContact CD1-CZ 4.16Å | ||
| 1385 | P | 84 | Confident | 76.3 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | trans | -81.6 | 64.8 | -171.9 | 36.3 | -40.8 | 0 | 0 | 0 | 112.5 | D1322 R1387 I1388 L1389 | D1322-P1385 HydrophobicContact CB-CG 4.12Å; D1322-P1385 WeakPolarHBondContact OD1-CB 3.35Å; D1322-P1385 VanDerWaalsContact OD1-CG 3.29Å; D1322-P1385 WeakPolarHBondContact OD1-CG 3.49Å; P1385-R1387 VanDerWaalsContact C-N 3.29Å; P1385-R1387 PolarHBondContact O-N 2.93Å; P1385-I1388 HydrophobicContact CB-CD1 4.19Å; P1385-I1388 HydrophobicContact CB-CG1 3.89Å; P1385-I1388 HydrophobicContact CG-CD1 4Å; P1385-I1388 HydrophobicContact CG-CG1 3.87Å; P1385-I1388 VanDerWaalsContact O-CG1 3.3Å; P1385-I1388 WeakPolarHBondContact O-CG1 3.49Å; P1385-I1388 PolarHBondContact O-N 3.32Å; P1385-L1389 HydrophobicContact CG-CD2 4.12Å | ||
| 1386 | L | 85.3 | Confident | 76.6 | Confident | 86 Ų | 86 | 55.1 Ų | 55.1 | 45% | 0.45 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -40.7 | -42 | -164.1 | -60.9 | 179.4 | 0 | 0 | 0 | 116.8 | L1384 I1388 L1389 L1394 F1430 | L1384-L1386 VanDerWaalsContact C-N 3.29Å; L1384-L1386 PolarHBondContact O-N 2.89Å; L1386-I1388 VanDerWaalsContact C-N 3.31Å; L1386-I1388 PolarHBondContact O-N 3.38Å; L1386-L1389 HydrophobicContact CD2-CD1 3.95Å; L1386-L1389 PolarHBondContact O-N 3.14Å; L1386-L1394 HydrophobicContact CB-CD2 4.48Å; L1386-L1394 HydrophobicContact CD2-CD2 4.23Å; L1386-F1430 HydrophobicContact CD1-CD2 4.25Å |
| 1387 | R | 87 | Confident | 77 | Confident | 96 Ų | 96 | 55 Ų | 55 | 36% | 0.362 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -63.5 | -28.3 | -177.9 | -87.4 | -174.7 | 170.6 | -176.6 | -8.3 | 114.7 | P1385 E1422 F1424 Q1425 I1427 | P1385-R1387 VanDerWaalsContact C-N 3.29Å; P1385-R1387 PolarHBondContact O-N 2.93Å; R1387-E1422 IonicContact NH1-OE2 2.68Å; R1387-F1424 PolarHBondContact NH2-O 3.03Å; R1387-F1424 WeakPolarHBondContact O-CD2 3.45Å; R1387-F1424 VanDerWaalsContact O-CE2 3.29Å; R1387-F1424 WeakPolarHBondContact O-CE2 3.43Å; R1387-Q1425 PolarHBondContact NH2-O 3.07Å; R1387-Q1425 VanDerWaalsContact NH2-O 3.13Å; R1387-I1427 PolarHBondContact NH2-O 3.04Å |
| 1388 | I | 90.7 | Very high | 77.8 | Confident | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -98.8 | -2.6 | 178.8 | 62.6 | 158.8 | 0 | 0 | 0 | 113.1 | D1322 L1323 A1324 P1385 L1386 Q1407 L1410 | D1322-I1388 WeakPolarHBondContact OD1-CD1 3.06Å; L1323-I1388 WeakPolarHBondContact O-CD1 3.41Å; A1324-I1388 HydrophobicContact CB-CD1 4.36Å; P1385-I1388 HydrophobicContact CB-CD1 4.19Å; P1385-I1388 HydrophobicContact CB-CG1 3.89Å; P1385-I1388 HydrophobicContact CG-CD1 4Å; P1385-I1388 HydrophobicContact CG-CG1 3.87Å; P1385-I1388 VanDerWaalsContact O-CG1 3.3Å; P1385-I1388 WeakPolarHBondContact O-CG1 3.49Å; P1385-I1388 PolarHBondContact O-N 3.32Å; L1386-I1388 VanDerWaalsContact C-N 3.31Å; L1386-I1388 PolarHBondContact O-N 3.38Å; I1388-Q1407 HydrophobicContact CB-CG 4.43Å; I1388-Q1407 HydrophobicContact CD1-CG 4.18Å; I1388-Q1407 HydrophobicContact CG1-CG 4.49Å; I1388-Q1407 VanDerWaalsContact O-CG 3.24Å; I1388-Q1407 WeakPolarHBondContact O-CG 3.44Å; I1388-L1410 HydrophobicContact CB-CD1 4.03Å; I1388-L1410 HydrophobicContact CG2-CD1 4.17Å |
| 1389 | L | 91.5 | Very high | 79.3 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | trans | -71.6 | 141.1 | 179.9 | -64.8 | -175.3 | 0 | 0 | 0 | 111.1 | L1384 P1385 L1386 A1393 L1394 F1399 | L1384-L1389 HydrophobicContact CB-CD1 4.02Å; P1385-L1389 HydrophobicContact CG-CD2 4.12Å; L1386-L1389 HydrophobicContact CD2-CD1 3.95Å; L1386-L1389 PolarHBondContact O-N 3.14Å; L1389-A1393 HydrophobicContact CB-CB 4.18Å; L1389-A1393 HydrophobicContact CD1-CB 4.49Å; L1389-A1393 HydrophobicContact CD2-CB 4.42Å; L1389-L1394 HydrophobicContact CB-CD1 4.42Å; L1389-L1394 HydrophobicContact CB-CD2 3.9Å; L1389-L1394 HydrophobicContact CB-CG 3.77Å; L1389-L1394 HydrophobicContact CD1-CD2 4.1Å; L1389-L1394 WeakPolarHBondContact O-CD1 3.45Å; L1389-F1399 HydrophobicContact CD2-CE1 3.89Å; L1389-F1399 HydrophobicContact CD2-CZ 4.11Å | ||
| 1390 | P | 93.6 | Very high | 81.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -73.8 | 165.8 | 172.1 | 32.1 | -37.6 | 0 | 0 | 0 | 112.5 | E1392 A1393 L1394 W1406 | P1390-E1392 VanDerWaalsContact C-N 3.31Å; P1390-E1392 WeakPolarHBondContact CB-OE1 3.36Å; P1390-E1392 WeakPolarHBondContact CB-OE2 3.42Å; P1390-E1392 WeakPolarHBondContact CG-OE1 3.35Å; P1390-E1392 PolarHBondContact O-N 3.36Å; P1390-A1393 HydrophobicContact CG-CB 3.94Å; P1390-A1393 PolarHBondContact O-N 2.81Å; P1390-A1393 VanDerWaalsContact O-N 3.1Å; P1390-L1394 PolarHBondContact O-N 2.89Å; P1390-L1394 VanDerWaalsContact O-N 3.07Å; P1390-W1406 HydrophobicContact CB-CB 3.86Å; P1390-W1406 HydrophobicContact CB-CD2 3.73Å; P1390-W1406 HydrophobicContact CB-CE3 4.19Å; P1390-W1406 HydrophobicContact CB-CG 3.55Å; P1390-W1406 HydrophobicContact CG-CB 4.49Å; P1390-W1406 HydrophobicContact CG-CG 4.46Å | ||
| 1391 | P | 91.6 | Very high | 83 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.2 | -40.8 | -178.6 | -27.1 | 34.9 | 0 | 0 | 0 | 114.4 | A1393 L1394 L1395 W1406 L1437 Y1496 | P1391-A1393 VanDerWaalsContact C-N 3.34Å; P1391-A1393 PolarHBondContact O-N 3.04Å; P1391-L1394 PolarHBondContact O-N 3.38Å; P1391-L1395 VanDerWaalsContact O-CB 3.28Å; P1391-L1395 WeakPolarHBondContact O-CB 3.48Å; P1391-L1395 WeakPolarHBondContact O-CG 3.35Å; P1391-L1395 PolarHBondContact O-N 3.48Å; P1391-W1406 HydrophobicContact CG-CH2 4.09Å; P1391-W1406 HydrophobicContact CG-CZ3 4.18Å; P1391-L1437 HydrophobicContact CG-CB 4.37Å; P1391-L1437 HydrophobicContact CG-CD1 4.4Å; P1391-Y1496 HydrophobicContact CB-CD2 3.86Å; P1391-Y1496 HydrophobicContact CB-CE2 3.56Å; P1391-Y1496 HydrophobicContact CG-CD2 3.66Å; P1391-Y1496 HydrophobicContact CG-CE2 3.84Å; P1391-Y1496 HydrophobicContact CG-CG 4.43Å |
| 1392 | E | 91.3 | Very high | 85.2 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.3 | -29.7 | -179.3 | 70.5 | -76.3 | 176.4 | 0 | 0 | 113.8 | P1390 Q1396 H1397 K1398 Y1400 S1403 P1498 R1501 | P1390-E1392 VanDerWaalsContact C-N 3.31Å; P1390-E1392 WeakPolarHBondContact CB-OE1 3.36Å; P1390-E1392 WeakPolarHBondContact CB-OE2 3.42Å; P1390-E1392 WeakPolarHBondContact CG-OE1 3.35Å; P1390-E1392 PolarHBondContact O-N 3.36Å; E1392-Q1396 CarbonylContact O-C 3.55Å; E1392-Q1396 WeakPolarHBondContact O-CA 3.49Å; E1392-Q1396 WeakPolarHBondContact O-CB 3.44Å; E1392-Q1396 PolarHBondContact O-N 2.82Å; E1392-H1397 PolarHBondContact O-N 2.76Å; E1392-H1397 VanDerWaalsContact O-N 3.16Å; E1392-K1398 CarbonylContact C-O 3.25Å; E1392-K1398 PolarHBondContact O-N 3.09Å; E1392-Y1400 HydrophobicContact CB-CE2 4.44Å; E1392-Y1400 HydrophobicContact CG-CD2 3.84Å; E1392-Y1400 HydrophobicContact CG-CE2 3.91Å; E1392-S1403 PolarHBondContact OE1-OG 3.48Å; E1392-P1498 HydrophobicContact CG-CG 4.33Å; E1392-R1501 IonicContact OE1-CZ 3.73Å; E1392-R1501 IonicContact OE1-NH1 3.52Å; E1392-R1501 PolarHBondContact OE1-NH1 3.38Å; E1392-R1501 IonicContact OE1-NH2 2.79Å; E1392-R1501 IonicContact OE2-CZ 2.74Å; E1392-R1501 IonicContact OE2-NH1 3.19Å; E1392-R1501 PolarHBondContact OE2-NH1 3.35Å; E1392-R1501 IonicContact OE2-NH2 2.77Å; E1392-R1501 PolarHBondContact OE2-NH2 2.9Å |
| 1393 | A | 90.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -78.1 | -37.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1389 P1390 P1391 H1397 K1398 F1399 | L1389-A1393 HydrophobicContact CB-CB 4.18Å; L1389-A1393 HydrophobicContact CD1-CB 4.49Å; L1389-A1393 HydrophobicContact CD2-CB 4.42Å; P1390-A1393 HydrophobicContact CG-CB 3.94Å; P1390-A1393 PolarHBondContact O-N 2.81Å; P1390-A1393 VanDerWaalsContact O-N 3.1Å; P1391-A1393 VanDerWaalsContact C-N 3.34Å; P1391-A1393 PolarHBondContact O-N 3.04Å; A1393-H1397 WeakPolarHBondContact O-CA 3.11Å; A1393-H1397 PolarHBondContact O-N 3.45Å; A1393-H1397 PolarHBondContact O-ND1 3.1Å; A1393-H1397 VanDerWaalsContact O-ND1 3.15Å; A1393-K1398 VanDerWaalsContact CA-O 3.23Å; A1393-K1398 WeakPolarHBondContact CA-O 3.18Å; A1393-K1398 WeakPolarHBondContact CB-O 2.91Å; A1393-K1398 PolarHBondContact N-O 3.34Å; A1393-F1399 HydrophobicContact CB-CD1 4.13Å; A1393-F1399 HydrophobicContact CB-CE1 3.69Å; A1393-F1399 HydrophobicContact CB-CE2 4.14Å; A1393-F1399 HydrophobicContact CB-CZ 3.69Å |
| 1394 | L | 88.4 | Confident | 88.6 | Confident | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69 | -41.4 | 176.5 | -71.2 | 168.4 | 0 | 0 | 0 | 112.9 | L1386 L1389 P1390 P1391 F1430 L1433 L1437 | L1386-L1394 HydrophobicContact CB-CD2 4.48Å; L1386-L1394 HydrophobicContact CD2-CD2 4.23Å; L1389-L1394 HydrophobicContact CB-CD1 4.42Å; L1389-L1394 HydrophobicContact CB-CD2 3.9Å; L1389-L1394 HydrophobicContact CB-CG 3.77Å; L1389-L1394 HydrophobicContact CD1-CD2 4.1Å; L1389-L1394 WeakPolarHBondContact O-CD1 3.45Å; P1390-L1394 PolarHBondContact O-N 2.89Å; P1390-L1394 VanDerWaalsContact O-N 3.07Å; P1391-L1394 PolarHBondContact O-N 3.38Å; L1394-F1430 HydrophobicContact CD2-CD2 4.36Å; L1394-F1430 HydrophobicContact CD2-CE2 3.73Å; L1394-L1433 HydrophobicContact CD1-CD2 4.1Å; L1394-L1433 HydrophobicContact CD1-CG 4.41Å; L1394-L1437 HydrophobicContact CD1-CD1 3.61Å |
| 1395 | L | 86.3 | Confident | 89.6 | Confident | 81 Ų | 81 | 31.2 Ų | 31.2 | 42% | 0.424 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -100 | -35.3 | -170.9 | -66.4 | 173.4 | 0 | 0 | 0 | 114.6 | P1391 V1434 | P1391-L1395 VanDerWaalsContact O-CB 3.28Å; P1391-L1395 WeakPolarHBondContact O-CB 3.48Å; P1391-L1395 WeakPolarHBondContact O-CG 3.35Å; P1391-L1395 PolarHBondContact O-N 3.48Å; L1395-V1434 HydrophobicContact CD2-CG1 3.76Å; L1395-V1434 HydrophobicContact CD2-CG2 4.22Å |
| 1396 | Q | 83.6 | Confident | 90.3 | Very high | 101 Ų | 101 | 30 Ų | 30 | 47% | 0.472 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -116.4 | -4.6 | -173.6 | -53.1 | -173.1 | 11 | 0 | 0 | 113.2 | E1392 K1398 | E1392-Q1396 CarbonylContact O-C 3.55Å; E1392-Q1396 WeakPolarHBondContact O-CA 3.49Å; E1392-Q1396 WeakPolarHBondContact O-CB 3.44Å; E1392-Q1396 PolarHBondContact O-N 2.82Å; Q1396-K1398 HydrophobicContact CB-CD 4.14Å; Q1396-K1398 HydrophobicContact CB-CG 3.91Å; Q1396-K1398 PolarHBondContact O-N 3.26Å |
| 1397 | H | 84.1 | Confident | 90.8 | Very high | 96 Ų | 96 | 25.9 Ų | 25.9 | 44% | 0.444 | 12% | 0.12 | S | C | . | . | trans | 54.9 | 28.9 | -172.3 | -56.7 | -32.3 | 0 | 0 | 0 | 114 | R1376 V1377 E1392 A1393 | R1376-H1397 WeakPolarHBondContact CA-O 3.41Å; V1377-H1397 HydrophobicContact CB-CB 4.28Å; V1377-H1397 PolarHBondContact N-O 2.59Å; E1392-H1397 PolarHBondContact O-N 2.76Å; E1392-H1397 VanDerWaalsContact O-N 3.16Å; A1393-H1397 WeakPolarHBondContact O-CA 3.11Å; A1393-H1397 PolarHBondContact O-N 3.45Å; A1393-H1397 PolarHBondContact O-ND1 3.1Å; A1393-H1397 VanDerWaalsContact O-ND1 3.15Å | ||
| 1398 | K | 86.2 | Confident | 91.3 | Very high | 37 Ų | 37 | 21.3 Ų | 21.3 | 16% | 0.161 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 146.1 | 175.5 | -62.8 | -176.8 | -179.4 | 166.4 | 0 | 111.1 | Y1374 Y1375 R1376 E1392 A1393 Q1396 Y1400 | Y1374-K1398 HydrophobicContact CD1-CD 4.47Å; Y1374-K1398 HydrophobicContact CD2-CB 3.93Å; Y1374-K1398 HydrophobicContact CD2-CD 3.67Å; Y1374-K1398 HydrophobicContact CD2-CG 3.55Å; Y1374-K1398 HydrophobicContact CE1-CD 4.44Å; Y1374-K1398 HydrophobicContact CE2-CD 3.61Å; Y1374-K1398 HydrophobicContact CE2-CG 3.65Å; Y1374-K1398 HydrophobicContact CG-CB 4.47Å; Y1374-K1398 HydrophobicContact CG-CD 4.12Å; Y1374-K1398 HydrophobicContact CG-CG 4.36Å; Y1375-K1398 CarbonylContact O-C 3.51Å; Y1375-K1398 WeakPolarHBondContact O-CA 3.34Å; R1376-K1398 HydrophobicContact CG-CG 4.46Å; E1392-K1398 CarbonylContact C-O 3.25Å; E1392-K1398 PolarHBondContact O-N 3.09Å; A1393-K1398 VanDerWaalsContact CA-O 3.23Å; A1393-K1398 WeakPolarHBondContact CA-O 3.18Å; A1393-K1398 WeakPolarHBondContact CB-O 2.91Å; A1393-K1398 PolarHBondContact N-O 3.34Å; Q1396-K1398 HydrophobicContact CB-CD 4.14Å; Q1396-K1398 HydrophobicContact CB-CG 3.91Å; Q1396-K1398 PolarHBondContact O-N 3.26Å; K1398-Y1400 HydrophobicContact CB-CE2 3.93Å; K1398-Y1400 HydrophobicContact CD-CE2 4.22Å |
| 1399 | F | 87.9 | Confident | 91.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 128.9 | 173.2 | -69.4 | -94.1 | 0 | 0 | 0 | 109.7 | I1319 R1321 Y1374 Y1375 V1377 L1384 L1389 A1393 | I1319-F1399 HydrophobicContact CD1-CB 4.34Å; I1319-F1399 HydrophobicContact CG2-CB 4.49Å; R1321-F1399 HydrophobicContact CB-CD1 3.99Å; R1321-F1399 HydrophobicContact CB-CE1 3.75Å; R1321-F1399 HydrophobicContact CB-CZ 4.49Å; R1321-F1399 VanDerWaalsContact CD-CD1 3.47Å; R1321-F1399 HydrophobicContact CG-CD1 3.5Å; R1321-F1399 VanDerWaalsContact CG-CD1 3.5Å; R1321-F1399 HydrophobicContact CG-CE1 3.77Å; R1321-F1399 HydrophobicContact CG-CG 4.03Å; Y1374-F1399 WeakPolarHBondContact CA-O 3.2Å; Y1375-F1399 HydrophobicContact CD1-CB 4.31Å; Y1375-F1399 HydrophobicContact CD1-CD2 4.24Å; Y1375-F1399 HydrophobicContact CE1-CD2 4.47Å; Y1375-F1399 PolarHBondContact N-O 3.27Å; Y1375-F1399 PolarHBondContact O-N 3.04Å; V1377-F1399 HydrophobicContact CG2-CD2 4.33Å; V1377-F1399 HydrophobicContact CG2-CE2 3.93Å; L1384-F1399 HydrophobicContact CD1-CE2 4.43Å; L1384-F1399 HydrophobicContact CD1-CZ 4.16Å; L1389-F1399 HydrophobicContact CD2-CE1 3.89Å; L1389-F1399 HydrophobicContact CD2-CZ 4.11Å; A1393-F1399 HydrophobicContact CB-CD1 4.13Å; A1393-F1399 HydrophobicContact CB-CE1 3.69Å; A1393-F1399 HydrophobicContact CB-CE2 4.14Å; A1393-F1399 HydrophobicContact CB-CZ 3.69Å |
| 1400 | Y | 90.1 | Very high | 91.8 | Very high | 21 Ų | 21 | 20.9 Ų | 20.9 | 8% | 0.082 | 10% | 0.101 | C | C | . | . | trans | -115.3 | 166 | 175.6 | -62.1 | -104.5 | 0 | 0 | 0 | 108.8 | E1373 Y1374 E1392 K1398 S1402 S1403 P1498 H1499 | E1373-Y1400 HydrophobicContact CB-CE1 4.15Å; E1373-Y1400 VanDerWaalsContact O-CD1 3.28Å; E1373-Y1400 WeakPolarHBondContact O-CD1 3.33Å; Y1374-Y1400 HydrophobicContact CD1-CE1 4.24Å; Y1374-Y1400 HydrophobicContact CG-CE1 4.35Å; E1392-Y1400 HydrophobicContact CB-CE2 4.44Å; E1392-Y1400 HydrophobicContact CG-CD2 3.84Å; E1392-Y1400 HydrophobicContact CG-CE2 3.91Å; K1398-Y1400 HydrophobicContact CB-CE2 3.93Å; K1398-Y1400 HydrophobicContact CD-CE2 4.22Å; Y1400-S1402 PolarHBondContact O-N 2.98Å; Y1400-S1403 PolarHBondContact N-OG 2.91Å; Y1400-S1403 WeakPolarHBondContact O-CB 3.29Å; Y1400-S1403 PolarHBondContact O-N 3.48Å; Y1400-S1403 PolarHBondContact O-OG 2.89Å; Y1400-P1498 HydrophobicContact CD2-CB 4.18Å; Y1400-P1498 HydrophobicContact CD2-CG 4.13Å; Y1400-P1498 HydrophobicContact CE2-CG 3.98Å; Y1400-P1498 HydrophobicContact CG-CB 4.36Å; Y1400-H1499 AromaticContact CE1-CE1 3.82Å; Y1400-H1499 AromaticContact CE1-NE2 3.69Å | ||
| 1401 | F | 90.7 | Very high | 92 | Very high | 51 Ų | 51 | 20.9 Ų | 20.9 | 22% | 0.224 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.4 | -31.3 | 167.2 | -64 | -64.1 | 0 | 0 | 0 | 112.4 | V1314 Y1317 I1319 M1347 S1403 D1404 | V1314-F1401 HydrophobicContact CB-CD1 4.29Å; V1314-F1401 HydrophobicContact CG1-CB 4.43Å; V1314-F1401 HydrophobicContact CG1-CD1 4.19Å; V1314-F1401 HydrophobicContact CG1-CD2 4.47Å; V1314-F1401 HydrophobicContact CG1-CG 4.11Å; V1314-F1401 HydrophobicContact CG2-CB 4.09Å; V1314-F1401 HydrophobicContact CG2-CD1 3.92Å; V1314-F1401 HydrophobicContact CG2-CG 4.21Å; Y1317-F1401 HydrophobicContact CD1-CZ 4.25Å; I1319-F1401 HydrophobicContact CD1-CD1 4.49Å; I1319-F1401 HydrophobicContact CG1-CD1 3.67Å; I1319-F1401 HydrophobicContact CG1-CE1 3.77Å; I1319-F1401 HydrophobicContact CG1-CG 4.41Å; M1347-F1401 HydrophobicContact CG-CZ 4.33Å; M1347-F1401 HydrophobicContact SD-CD2 4.4Å; M1347-F1401 HydrophobicContact SD-CE1 4.16Å; M1347-F1401 HydrophobicContact SD-CE2 3.65Å; M1347-F1401 HydrophobicContact SD-CZ 3.5Å; M1347-F1401 WeakPolarHBondContact SD-CZ 3.48Å; F1401-S1403 VanDerWaalsContact C-N 3.26Å; F1401-S1403 PolarHBondContact O-N 3.4Å; F1401-D1404 PolarHBondContact O-N 3.44Å |
| 1402 | S | 93.1 | Very high | 92.2 | Very high | 22 Ų | 22 | 20.7 Ų | 20.7 | 15% | 0.154 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -78.5 | -3.7 | 174 | 60 | 0 | 0 | 0 | 0 | 114.4 | Y1400 W1406 P1498 R1501 | Y1400-S1402 PolarHBondContact O-N 2.98Å; S1402-W1406 PolarHBondContact O-N 2.89Å; S1402-P1498 WeakPolarHBondContact CB-O 3.41Å; S1402-P1498 WeakPolarHBondContact OG-CB 3.21Å; S1402-P1498 PolarHBondContact OG-O 3.46Å; S1402-R1501 VanDerWaalsContact O-CD 3.22Å; S1402-R1501 WeakPolarHBondContact O-CD 3.49Å; S1402-R1501 PolarHBondContact O-NH1 3.23Å |
| 1403 | S | 94.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.007 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -73.4 | -34.9 | 165.9 | -57 | 0 | 0 | 0 | 0 | 111.4 | E1392 Y1400 F1401 I1405 W1406 Q1407 | E1392-S1403 PolarHBondContact OE1-OG 3.48Å; Y1400-S1403 PolarHBondContact N-OG 2.91Å; Y1400-S1403 WeakPolarHBondContact O-CB 3.29Å; Y1400-S1403 PolarHBondContact O-N 3.48Å; Y1400-S1403 PolarHBondContact O-OG 2.89Å; F1401-S1403 VanDerWaalsContact C-N 3.26Å; F1401-S1403 PolarHBondContact O-N 3.4Å; S1403-I1405 VanDerWaalsContact C-N 3.32Å; S1403-W1406 PolarHBondContact O-N 3Å; S1403-Q1407 PolarHBondContact O-N 2.98Å |
| 1404 | D | 95.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -69.4 | -29.8 | 170.8 | -81.7 | 1.7 | 0 | 0 | 0 | 111.6 | I1319 H1320 R1321 L1323 F1401 Q1407 Y1408 | I1319-D1404 WeakPolarHBondContact CA-OD2 3.4Å; I1319-D1404 WeakPolarHBondContact CG2-OD1 3.34Å; H1320-D1404 WeakPolarHBondContact CB-OD2 3.49Å; H1320-D1404 PolarHBondContact N-OD1 3.05Å; H1320-D1404 PolarHBondContact N-OD2 2.03Å; R1321-D1404 PolarHBondContact N-OD1 2.72Å; L1323-D1404 HydrophobicContact CD1-CB 3.65Å; F1401-D1404 PolarHBondContact O-N 3.44Å; D1404-Q1407 WeakPolarHBondContact O-CB 3.41Å; D1404-Q1407 PolarHBondContact O-N 2.78Å; D1404-Y1408 WeakPolarHBondContact O-CB 3.45Å; D1404-Y1408 PolarHBondContact O-N 3.35Å |
| 1405 | I | 97.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.7 | -38.9 | 174.3 | -63.2 | -51.5 | 0 | 0 | 0 | 112.4 | I1307 I1310 S1403 Q1407 Y1408 G1409 M1493 R1501 A1504 I1507 | I1307-I1405 HydrophobicContact CD1-CD1 4.28Å; I1310-I1405 HydrophobicContact CG2-CD1 4.15Å; S1403-I1405 VanDerWaalsContact C-N 3.32Å; I1405-Q1407 VanDerWaalsContact C-N 3.31Å; I1405-Q1407 PolarHBondContact O-N 2.85Å; I1405-Y1408 PolarHBondContact O-N 3.43Å; I1405-G1409 PolarHBondContact O-N 3.27Å; I1405-M1493 HydrophobicContact CG2-CB 3.96Å; I1405-M1493 HydrophobicContact CG2-CG 3.77Å; I1405-R1501 HydrophobicContact CG2-CB 4.38Å; I1405-A1504 HydrophobicContact CD1-CB 4.05Å; I1405-I1507 HydrophobicContact CD1-CD1 3.83Å; I1405-I1507 HydrophobicContact CG1-CD1 4.4Å; I1405-I1507 HydrophobicContact CG2-CD1 3.64Å |
| 1406 | W | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.2 | -45.9 | 171.4 | 174.2 | -78.9 | 0 | 0 | 0 | 111.2 | P1390 P1391 S1402 S1403 G1409 L1410 L1437 P1473 W1494 | P1390-W1406 HydrophobicContact CB-CB 3.86Å; P1390-W1406 HydrophobicContact CB-CD2 3.73Å; P1390-W1406 HydrophobicContact CB-CE3 4.19Å; P1390-W1406 HydrophobicContact CB-CG 3.55Å; P1390-W1406 HydrophobicContact CG-CB 4.49Å; P1390-W1406 HydrophobicContact CG-CG 4.46Å; P1391-W1406 HydrophobicContact CG-CH2 4.09Å; P1391-W1406 HydrophobicContact CG-CZ3 4.18Å; S1402-W1406 PolarHBondContact O-N 2.89Å; S1403-W1406 PolarHBondContact O-N 3Å; W1406-G1409 PolarHBondContact O-N 2.9Å; W1406-L1410 PolarHBondContact O-N 2.89Å; W1406-L1437 HydrophobicContact CH2-CD2 3.63Å; W1406-L1437 HydrophobicContact CZ2-CD2 3.63Å; W1406-P1473 HydrophobicContact CH2-CG 4.34Å; W1406-W1494 HydrophobicContact CE3-CB 4.26Å; W1406-W1494 HydrophobicContact CH2-CB 4.31Å; W1406-W1494 HydrophobicContact CZ3-CB 3.98Å; W1406-W1494 WeakPolarHBondContact CZ3-O 3.28Å |
| 1407 | Q | 96.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.7 | -41 | 176.7 | -70.8 | -175.5 | -11.5 | 0 | 0 | 111.9 | R1321 D1322 L1323 I1388 S1403 D1404 I1405 G1409 L1410 L1411 | R1321-Q1407 PolarHBondContact O-NE2 2.79Å; D1322-Q1407 VanDerWaalsContact N-OE1 3.15Å; L1323-Q1407 HydrophobicContact CB-CB 3.85Å; I1388-Q1407 HydrophobicContact CB-CG 4.43Å; I1388-Q1407 HydrophobicContact CD1-CG 4.18Å; I1388-Q1407 HydrophobicContact CG1-CG 4.49Å; I1388-Q1407 VanDerWaalsContact O-CG 3.24Å; I1388-Q1407 WeakPolarHBondContact O-CG 3.44Å; S1403-Q1407 PolarHBondContact O-N 2.98Å; D1404-Q1407 WeakPolarHBondContact O-CB 3.41Å; D1404-Q1407 PolarHBondContact O-N 2.78Å; I1405-Q1407 VanDerWaalsContact C-N 3.31Å; I1405-Q1407 PolarHBondContact O-N 2.85Å; Q1407-G1409 VanDerWaalsContact C-N 3.35Å; Q1407-G1409 PolarHBondContact O-N 3.24Å; Q1407-L1410 PolarHBondContact O-N 2.96Å; Q1407-L1411 WeakPolarHBondContact O-CB 3.38Å; Q1407-L1411 PolarHBondContact O-N 2.66Å |
| 1408 | Y | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62 | -38.7 | 174.4 | -178.3 | -103 | 0 | 0 | 0 | 112.9 | A1303 I1306 I1307 I1310 D1404 I1405 L1410 L1411 L1412 M1493 I1507 L1511 | A1303-Y1408 PolarHBondContact O-OH 3.34Å; I1306-Y1408 HydrophobicContact CB-CE2 3.97Å; I1306-Y1408 HydrophobicContact CG2-CD2 3.84Å; I1306-Y1408 HydrophobicContact CG2-CE2 3.64Å; I1307-Y1408 HydrophobicContact CB-CE1 4.28Å; I1307-Y1408 HydrophobicContact CB-CE2 4.17Å; I1307-Y1408 HydrophobicContact CD1-CD1 4.04Å; I1307-Y1408 HydrophobicContact CD1-CE1 3.97Å; I1307-Y1408 HydrophobicContact CD1-CG 4.38Å; I1307-Y1408 HydrophobicContact CG1-CE1 4.48Å; I1310-Y1408 HydrophobicContact CD1-CD2 3.42Å; I1310-Y1408 VanDerWaalsContact CD1-CD2 3.42Å; I1310-Y1408 HydrophobicContact CD1-CE2 4.2Å; I1310-Y1408 HydrophobicContact CD1-CG 3.77Å; D1404-Y1408 WeakPolarHBondContact O-CB 3.45Å; D1404-Y1408 PolarHBondContact O-N 3.35Å; I1405-Y1408 PolarHBondContact O-N 3.43Å; Y1408-L1410 VanDerWaalsContact C-N 3.34Å; Y1408-L1410 PolarHBondContact O-N 2.87Å; Y1408-L1411 WeakPolarHBondContact O-CB 3.35Å; Y1408-L1411 PolarHBondContact O-N 2.83Å; Y1408-L1412 HydrophobicContact CD1-CD1 4.24Å; Y1408-L1412 HydrophobicContact CD1-CG 4.32Å; Y1408-L1412 HydrophobicContact CE1-CD1 3.59Å; Y1408-L1412 HydrophobicContact CE1-CD2 4.19Å; Y1408-L1412 HydrophobicContact CE1-CG 3.83Å; Y1408-L1412 HydrophobicContact CE2-CD2 4.25Å; Y1408-L1412 HydrophobicContact CE2-CG 4.45Å; Y1408-L1412 WeakPolarHBondContact O-CG 3.35Å; Y1408-L1412 PolarHBondContact O-N 2.99Å; Y1408-M1493 HydrophobicContact CD1-CE 4.22Å; Y1408-M1493 HydrophobicContact CD1-SD 3.74Å; Y1408-M1493 HydrophobicContact CE1-CE 4.19Å; Y1408-M1493 HydrophobicContact CE1-SD 4.29Å; Y1408-I1507 HydrophobicContact CD1-CG2 4.3Å; Y1408-I1507 HydrophobicContact CE1-CG2 3.68Å; Y1408-L1511 HydrophobicContact CE1-CD1 4.38Å; Y1408-L1511 WeakPolarHBondContact OH-CD1 3.21Å |
| 1409 | G | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59.4 | -42.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1405 W1406 Q1407 L1412 W1413 M1493 W1494 | I1405-G1409 PolarHBondContact O-N 3.27Å; W1406-G1409 PolarHBondContact O-N 2.9Å; Q1407-G1409 VanDerWaalsContact C-N 3.35Å; Q1407-G1409 PolarHBondContact O-N 3.24Å; G1409-L1412 PolarHBondContact O-N 3.3Å; G1409-W1413 PolarHBondContact O-N 2.04Å; G1409-W1413 VanDerWaalsContact O-N 3.12Å; G1409-M1493 VanDerWaalsContact CA-SD 3.57Å; G1409-W1494 VanDerWaalsContact O-CZ2 3.29Å; G1409-W1494 WeakPolarHBondContact O-CZ2 3.26Å |
| 1410 | L | 96.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.7 | -38.4 | 174.4 | -60.4 | 177.2 | 0 | 0 | 0 | 112.2 | I1388 W1406 Q1407 Y1408 W1413 E1414 P1423 F1424 L1476 W1494 | I1388-L1410 HydrophobicContact CB-CD1 4.03Å; I1388-L1410 HydrophobicContact CG2-CD1 4.17Å; W1406-L1410 PolarHBondContact O-N 2.89Å; Q1407-L1410 PolarHBondContact O-N 2.96Å; Y1408-L1410 VanDerWaalsContact C-N 3.34Å; Y1408-L1410 PolarHBondContact O-N 2.87Å; L1410-W1413 WeakPolarHBondContact O-CB 3.34Å; L1410-W1413 PolarHBondContact O-N 3.3Å; L1410-W1413 VanDerWaalsContact O-N 3.11Å; L1410-E1414 PolarHBondContact O-N 3.21Å; L1410-P1423 HydrophobicContact CB-CG 4.35Å; L1410-P1423 HydrophobicContact CD2-CB 4.28Å; L1410-F1424 HydrophobicContact CD1-CE2 3.91Å; L1410-F1424 HydrophobicContact CD2-CE2 3.91Å; L1410-F1424 HydrophobicContact CD2-CZ 3.86Å; L1410-L1476 HydrophobicContact CD2-CD1 3.57Å; L1410-W1494 HydrophobicContact CD2-CZ2 4.05Å |
| 1411 | L | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 175.9 | -166.3 | 165.6 | 0 | 0 | 0 | 111.2 | I1306 T1325 I1328 Q1407 Y1408 W1413 E1414 L1415 | I1306-L1411 HydrophobicContact CD1-CD2 3.8Å; I1306-L1411 HydrophobicContact CG2-CD1 4.29Å; T1325-L1411 HydrophobicContact CG2-CD2 3.83Å; T1325-L1411 HydrophobicContact CG2-CG 3.88Å; I1328-L1411 HydrophobicContact CD1-CD1 4.16Å; I1328-L1411 HydrophobicContact CG1-CD1 3.92Å; Q1407-L1411 WeakPolarHBondContact O-CB 3.38Å; Q1407-L1411 PolarHBondContact O-N 2.66Å; Y1408-L1411 WeakPolarHBondContact O-CB 3.35Å; Y1408-L1411 PolarHBondContact O-N 2.83Å; L1411-W1413 VanDerWaalsContact C-N 3.31Å; L1411-W1413 PolarHBondContact O-N 3.48Å; L1411-E1414 PolarHBondContact O-N 3.13Å; L1411-L1415 VanDerWaalsContact O-CB 3.25Å; L1411-L1415 WeakPolarHBondContact O-CB 3.24Å; L1411-L1415 PolarHBondContact O-N 3.46Å |
| 1412 | L | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 171.7 | -69.7 | -173.6 | 0 | 0 | 0 | 111.4 | A1303 Y1408 G1409 L1415 F1416 L1486 M1490 M1493 | A1303-L1412 HydrophobicContact CB-CD2 3.5Å; A1303-L1412 VanDerWaalsContact CB-CD2 3.5Å; Y1408-L1412 HydrophobicContact CD1-CD1 4.24Å; Y1408-L1412 HydrophobicContact CD1-CG 4.32Å; Y1408-L1412 HydrophobicContact CE1-CD1 3.59Å; Y1408-L1412 HydrophobicContact CE1-CD2 4.19Å; Y1408-L1412 HydrophobicContact CE1-CG 3.83Å; Y1408-L1412 HydrophobicContact CE2-CD2 4.25Å; Y1408-L1412 HydrophobicContact CE2-CG 4.45Å; Y1408-L1412 WeakPolarHBondContact O-CG 3.35Å; Y1408-L1412 PolarHBondContact O-N 2.99Å; G1409-L1412 PolarHBondContact O-N 3.3Å; L1412-L1415 PolarHBondContact O-N 2.73Å; L1412-F1416 HydrophobicContact CB-CD2 4.33Å; L1412-F1416 HydrophobicContact CD2-CE2 4.26Å; L1412-F1416 WeakPolarHBondContact O-CB 3.19Å; L1412-F1416 VanDerWaalsContact O-CD2 3.3Å; L1412-F1416 WeakPolarHBondContact O-CD2 3.39Å; L1412-F1416 PolarHBondContact O-N 2.65Å; L1412-L1486 HydrophobicContact CD1-CD1 4.25Å; L1412-M1490 HydrophobicContact CB-CE 3.89Å; L1412-M1490 HydrophobicContact CB-CG 4.47Å; L1412-M1490 HydrophobicContact CB-SD 3.99Å; L1412-M1490 HydrophobicContact CD1-CG 3.97Å; L1412-M1490 HydrophobicContact CD1-SD 4.22Å; L1412-M1493 HydrophobicContact CD1-CE 3.95Å; L1412-M1493 HydrophobicContact CD1-SD 4.43Å |
| 1413 | W | 95.3 | Very high | 93.3 | Very high | 6 Ų | 6 | 17.1 Ų | 17.1 | 2% | 0.023 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 178.2 | -171.5 | 94.2 | 0 | 0 | 0 | 112.8 | G1409 L1410 L1411 H1417 R1421 P1423 L1476 D1477 M1490 W1494 | G1409-W1413 PolarHBondContact O-N 2.04Å; G1409-W1413 VanDerWaalsContact O-N 3.12Å; L1410-W1413 WeakPolarHBondContact O-CB 3.34Å; L1410-W1413 PolarHBondContact O-N 3.3Å; L1410-W1413 VanDerWaalsContact O-N 3.11Å; L1411-W1413 VanDerWaalsContact C-N 3.31Å; L1411-W1413 PolarHBondContact O-N 3.48Å; W1413-H1417 AromaticContact CD2-ND1 3.5Å; W1413-H1417 AromaticContact CE2-CE1 3.38Å; W1413-H1417 AromaticContact CE2-ND1 3.27Å; W1413-H1417 VanDerWaalsContact CE2-ND1 3.27Å; W1413-H1417 AromaticContact CE3-ND1 3.9Å; W1413-H1417 AromaticContact CH2-ND1 3.98Å; W1413-H1417 AromaticContact CZ2-CE1 3.5Å; W1413-H1417 VanDerWaalsContact CZ2-CE1 3.5Å; W1413-H1417 WeakPolarHBondContact CZ2-CE1 3.1Å; W1413-H1417 AromaticContact CZ2-ND1 3.56Å; W1413-H1417 AromaticContact NE1-CE1 3.42Å; W1413-H1417 PolarHBondContact NE1-CE1 3.44Å; W1413-H1417 AromaticContact NE1-ND1 3.59Å; W1413-H1417 VanDerWaalsContact O-CB 3.29Å; W1413-H1417 WeakPolarHBondContact O-CB 3.08Å; W1413-H1417 PolarHBondContact O-N 3.31Å; W1413-H1417 VanDerWaalsContact O-N 3.12Å; W1413-H1417 PolarHBondContact O-ND1 3.47Å; W1413-R1421 HydrophobicContact CH2-CB 3.58Å; W1413-R1421 HydrophobicContact CH2-CG 4.43Å; W1413-R1421 HydrophobicContact CZ3-CB 3.76Å; W1413-P1423 HydrophobicContact CE3-CG 4.12Å; W1413-P1423 HydrophobicContact CZ3-CG 4.35Å; W1413-L1476 HydrophobicContact CD2-CD2 4.09Å; W1413-L1476 HydrophobicContact CE3-CD2 4.5Å; W1413-L1476 HydrophobicContact CH2-CD2 4.49Å; W1413-L1476 HydrophobicContact CZ2-CD2 4.1Å; W1413-D1477 PolarHBondContact NE1-O 3.24Å; W1413-M1490 HydrophobicContact CB-CE 3.91Å; W1413-W1494 HydrophobicContact CB-CH2 4.16Å; W1413-W1494 HydrophobicContact CB-CZ2 4.04Å; W1413-W1494 AromaticContact CD1-CH2 3.9Å; W1413-W1494 HydrophobicContact CG-CH2 4.29Å |
| 1414 | E | 94.2 | Very high | 93.1 | Very high | 18 Ų | 18 | 17.2 Ų | 17.2 | 8% | 0.084 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.8 | -48.3 | 171.7 | -73.1 | 176.5 | 145.1 | 0 | 0 | 111.5 | T1325 L1410 L1411 H1417 L1418 E1419 P1423 | T1325-E1414 HydrophobicContact CG2-CB 3.75Å; T1325-E1414 PolarHBondContact N-OE2 3.16Å; L1410-E1414 PolarHBondContact O-N 3.21Å; L1411-E1414 PolarHBondContact O-N 3.13Å; E1414-H1417 CarbonylContact O-C 3.59Å; E1414-H1417 PolarHBondContact O-N 2.95Å; E1414-L1418 PolarHBondContact O-N 3.18Å; E1414-E1419 PolarHBondContact O-N 3.34Å; E1414-E1419 VanDerWaalsContact O-N 3.09Å; E1414-P1423 HydrophobicContact CG-CG 3.59Å; E1414-P1423 WeakPolarHBondContact OE1-CD 3.23Å |
| 1415 | L | 93.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.6 | -47.6 | -175.7 | 176.9 | 61 | 0 | 0 | 0 | 112.6 | L1248 I1252 I1299 F1302 T1325 L1411 L1412 H1417 L1418 | L1248-L1415 HydrophobicContact CD1-CD1 4.13Å; L1248-L1415 HydrophobicContact CD2-CD1 4.12Å; L1248-L1415 HydrophobicContact CD2-CD2 4.5Å; L1248-L1415 HydrophobicContact CG-CD1 4.29Å; I1252-L1415 HydrophobicContact CD1-CD1 3.75Å; I1252-L1415 HydrophobicContact CG1-CD1 3.79Å; I1299-L1415 HydrophobicContact CG2-CD2 4.13Å; I1299-L1415 HydrophobicContact CG2-CG 3.91Å; F1302-L1415 HydrophobicContact CB-CD2 4.21Å; T1325-L1415 HydrophobicContact CG2-CB 4.38Å; L1411-L1415 VanDerWaalsContact O-CB 3.25Å; L1411-L1415 WeakPolarHBondContact O-CB 3.24Å; L1411-L1415 PolarHBondContact O-N 3.46Å; L1412-L1415 PolarHBondContact O-N 2.73Å; L1415-H1417 VanDerWaalsContact C-N 3.31Å; L1415-H1417 PolarHBondContact O-N 2.89Å; L1415-L1418 WeakPolarHBondContact O-CA 3.49Å; L1415-L1418 PolarHBondContact O-N 3.47Å |
| 1416 | F | 92.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 1% | 0.013 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -74.8 | -18.6 | 177.9 | -78.3 | -78.6 | 0 | 0 | 0 | 113.2 | I1299 Y1300 L1412 L1418 P1479 L1481 V1482 L1486 | I1299-F1416 HydrophobicContact CB-CE1 4.48Å; I1299-F1416 HydrophobicContact CG2-CD1 3.58Å; I1299-F1416 HydrophobicContact CG2-CD2 4.31Å; I1299-F1416 HydrophobicContact CG2-CE1 3.43Å; I1299-F1416 VanDerWaalsContact CG2-CE1 3.43Å; I1299-F1416 HydrophobicContact CG2-CE2 4.16Å; I1299-F1416 HydrophobicContact CG2-CG 4.04Å; I1299-F1416 HydrophobicContact CG2-CZ 3.73Å; Y1300-F1416 AromaticContact CD2-CE1 3.89Å; Y1300-F1416 HydrophobicContact CD2-CE1 3.89Å; Y1300-F1416 AromaticContact CD2-CZ 3.85Å; Y1300-F1416 HydrophobicContact CD2-CZ 3.85Å; Y1300-F1416 HydrophobicContact CE1-CZ 4.38Å; Y1300-F1416 AromaticContact CE2-CE1 3.55Å; Y1300-F1416 HydrophobicContact CE2-CE1 3.55Å; Y1300-F1416 AromaticContact CE2-CZ 3.64Å; Y1300-F1416 HydrophobicContact CE2-CZ 3.64Å; Y1300-F1416 HydrophobicContact CG-CZ 4.33Å; Y1300-F1416 AromaticContact CZ-CZ 3.93Å; L1412-F1416 HydrophobicContact CB-CD2 4.33Å; L1412-F1416 HydrophobicContact CD2-CE2 4.26Å; L1412-F1416 WeakPolarHBondContact O-CB 3.19Å; L1412-F1416 VanDerWaalsContact O-CD2 3.3Å; L1412-F1416 WeakPolarHBondContact O-CD2 3.39Å; L1412-F1416 PolarHBondContact O-N 2.65Å; F1416-L1418 PolarHBondContact O-N 3.05Å; F1416-P1479 HydrophobicContact CB-CB 3.76Å; F1416-P1479 HydrophobicContact CB-CG 3.94Å; F1416-L1481 HydrophobicContact CD1-CB 3.83Å; F1416-V1482 HydrophobicContact CB-CG2 3.56Å; F1416-V1482 HydrophobicContact CD1-CG2 3.63Å; F1416-V1482 HydrophobicContact CD2-CG2 3.64Å; F1416-V1482 HydrophobicContact CE1-CG2 4.13Å; F1416-V1482 HydrophobicContact CE2-CG2 4.17Å; F1416-V1482 HydrophobicContact CG-CG2 3.34Å; F1416-V1482 HydrophobicContact CZ-CG2 4.39Å; F1416-L1486 HydrophobicContact CE2-CD2 3.63Å; F1416-L1486 HydrophobicContact CZ-CD2 3.61Å |
| 1417 | H | 90.3 | Very high | 91.3 | Very high | 26 Ų | 26 | 23.8 Ų | 23.8 | 12% | 0.12 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 8.7 | 163.5 | -85.8 | 113.6 | 0 | 0 | 0 | 113.9 | W1413 E1414 L1415 E1419 K1420 R1421 D1477 | W1413-H1417 AromaticContact CD2-ND1 3.5Å; W1413-H1417 AromaticContact CE2-CE1 3.38Å; W1413-H1417 AromaticContact CE2-ND1 3.27Å; W1413-H1417 VanDerWaalsContact CE2-ND1 3.27Å; W1413-H1417 AromaticContact CE3-ND1 3.9Å; W1413-H1417 AromaticContact CH2-ND1 3.98Å; W1413-H1417 AromaticContact CZ2-CE1 3.5Å; W1413-H1417 VanDerWaalsContact CZ2-CE1 3.5Å; W1413-H1417 WeakPolarHBondContact CZ2-CE1 3.1Å; W1413-H1417 AromaticContact CZ2-ND1 3.56Å; W1413-H1417 AromaticContact NE1-CE1 3.42Å; W1413-H1417 PolarHBondContact NE1-CE1 3.44Å; W1413-H1417 AromaticContact NE1-ND1 3.59Å; W1413-H1417 VanDerWaalsContact O-CB 3.29Å; W1413-H1417 WeakPolarHBondContact O-CB 3.08Å; W1413-H1417 PolarHBondContact O-N 3.31Å; W1413-H1417 VanDerWaalsContact O-N 3.12Å; W1413-H1417 PolarHBondContact O-ND1 3.47Å; E1414-H1417 CarbonylContact O-C 3.59Å; E1414-H1417 PolarHBondContact O-N 2.95Å; L1415-H1417 VanDerWaalsContact C-N 3.31Å; L1415-H1417 PolarHBondContact O-N 2.89Å; H1417-E1419 PolarHBondContact O-N 3.06Å; H1417-K1420 VanDerWaalsContact O-CB 3.26Å; H1417-K1420 WeakPolarHBondContact O-CB 3.04Å; H1417-K1420 WeakPolarHBondContact O-CG 3.43Å; H1417-K1420 PolarHBondContact O-N 2.98Å; H1417-R1421 HydrophobicContact CB-CB 4.49Å; H1417-D1477 IonicContact CE1-OD1 3.57Å; H1417-D1477 IonicContact NE2-OD1 3.58Å |
| 1418 | L | 90.2 | Very high | 90.5 | Very high | 13 Ų | 13 | 30 Ų | 30 | 7% | 0.068 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 37.1 | 177.9 | -57 | 178.9 | 0 | 0 | 0 | 113.2 | I1252 M1259 I1260 L1294 I1299 E1414 L1415 F1416 K1420 L1481 | I1252-L1418 VanDerWaalsContact CG2-C 3.49Å; I1252-L1418 HydrophobicContact CG2-CB 4.2Å; I1252-L1418 HydrophobicContact CG2-CD2 4.34Å; M1259-L1418 HydrophobicContact CB-CD1 4.46Å; M1259-L1418 HydrophobicContact SD-CD2 4.29Å; I1260-L1418 HydrophobicContact CD1-CD1 4.43Å; I1260-L1418 HydrophobicContact CG1-CD1 4.09Å; L1294-L1418 HydrophobicContact CD2-CD2 4.31Å; I1299-L1418 HydrophobicContact CD1-CD2 3.55Å; E1414-L1418 PolarHBondContact O-N 3.18Å; L1415-L1418 WeakPolarHBondContact O-CA 3.49Å; L1415-L1418 PolarHBondContact O-N 3.47Å; F1416-L1418 PolarHBondContact O-N 3.05Å; L1418-K1420 HydrophobicContact CB-CG 4.43Å; L1418-K1420 PolarHBondContact O-N 2.94Å; L1418-K1420 VanDerWaalsContact O-N 3.11Å; L1418-L1481 HydrophobicContact CD1-CD1 4.2Å; L1418-L1481 HydrophobicContact CD2-CD1 4.06Å; L1418-L1481 HydrophobicContact CG-CD1 4.09Å |
| 1419 | E | 89.7 | Confident | 89.9 | Confident | 36 Ų | 36 | 32.6 Ų | 32.6 | 17% | 0.168 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 18.2 | -176.8 | -66 | -80.4 | 136.4 | 0 | 0 | 114.5 | A1249 I1252 Q1253 T1325 E1414 H1417 | A1249-E1419 VanDerWaalsContact CA-CD 3.45Å; A1249-E1419 WeakPolarHBondContact CA-OE2 3.49Å; A1249-E1419 VanDerWaalsContact CB-OE2 3.24Å; A1249-E1419 WeakPolarHBondContact CB-OE2 3.21Å; I1252-E1419 HydrophobicContact CB-CG 3.84Å; I1252-E1419 HydrophobicContact CG2-CB 4.2Å; I1252-E1419 HydrophobicContact CG2-CG 3.79Å; Q1253-E1419 HydrophobicContact CG-CB 3.53Å; Q1253-E1419 HydrophobicContact CG-CG 4.09Å; Q1253-E1419 PolarHBondContact NE2-OE2 2.9Å; T1325-E1419 WeakPolarHBondContact CB-OE1 3.12Å; T1325-E1419 WeakPolarHBondContact CG2-OE1 3.29Å; T1325-E1419 PolarHBondContact OG1-OE1 3.45Å; E1414-E1419 PolarHBondContact O-N 3.34Å; E1414-E1419 VanDerWaalsContact O-N 3.09Å; H1417-E1419 PolarHBondContact O-N 3.06Å |
| 1420 | K | 86.1 | Confident | 89.2 | Confident | 69 Ų | 69 | 36.9 Ų | 36.9 | 30% | 0.3 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -82.3 | -14.2 | 179.6 | -63.9 | -62.6 | -164.7 | 162.6 | 0 | 114.1 | F383 I1260 H1417 L1418 | F383-K1420 HydrophobicContact CB-CD 4.48Å; F383-K1420 PolarHBondContact O-NZ 3.33Å; I1260-K1420 VanDerWaalsContact CD1-CE 3.46Å; H1417-K1420 VanDerWaalsContact O-CB 3.26Å; H1417-K1420 WeakPolarHBondContact O-CB 3.04Å; H1417-K1420 WeakPolarHBondContact O-CG 3.43Å; H1417-K1420 PolarHBondContact O-N 2.98Å; L1418-K1420 HydrophobicContact CB-CG 4.43Å; L1418-K1420 PolarHBondContact O-N 2.94Å; L1418-K1420 VanDerWaalsContact O-N 3.11Å |
| 1421 | R | 87.4 | Confident | 88.7 | Confident | 83 Ų | 83 | 43.4 Ų | 43.4 | 31% | 0.313 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -138.6 | 150.8 | -177.3 | -58.9 | -175.3 | -179.4 | -172.1 | 3.9 | 110.2 | W1413 H1417 D1477 | W1413-R1421 HydrophobicContact CH2-CB 3.58Å; W1413-R1421 HydrophobicContact CH2-CG 4.43Å; W1413-R1421 HydrophobicContact CZ3-CB 3.76Å; H1417-R1421 HydrophobicContact CB-CB 4.49Å; R1421-D1477 IonicContact CZ-OD1 2.75Å; R1421-D1477 IonicContact CZ-OD2 3.95Å; R1421-D1477 IonicContact NH1-OD1 3.61Å; R1421-D1477 PolarHBondContact NH1-OD1 2.74Å; R1421-D1477 IonicContact NH1-OD2 2.71Å; R1421-D1477 PolarHBondContact NH1-OD2 3.14Å; R1421-D1477 IonicContact NH2-OD2 3.19Å |
| 1422 | E | 87 | Confident | 88.3 | Confident | 91 Ų | 91 | 47.8 Ų | 47.8 | 43% | 0.425 | 22% | 0.22 | S | C | . | . | trans | -103.5 | 143.3 | 172.1 | -62.5 | 166.7 | 170.6 | 0 | 0 | 109.2 | R1387 F1424 Q1425 | R1387-E1422 IonicContact NH1-OE2 2.68Å; E1422-F1424 PolarHBondContact O-N 2.88Å; E1422-Q1425 HydrophobicContact CB-CB 4.08Å; E1422-Q1425 HydrophobicContact CB-CG 4.23Å; E1422-Q1425 WeakPolarHBondContact O-CB 3.4Å; E1422-Q1425 PolarHBondContact O-N 2.89Å; E1422-Q1425 PolarHBondContact OE2-NE2 3.15Å | ||
| 1423 | P | 89.4 | Confident | 87.9 | Confident | 6 Ų | 6 | 48 Ų | 48 | 4% | 0.039 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 135 | 173.5 | -24.8 | 35.3 | 0 | 0 | 0 | 111 | L1410 W1413 E1414 Q1425 | L1410-P1423 HydrophobicContact CB-CG 4.35Å; L1410-P1423 HydrophobicContact CD2-CB 4.28Å; W1413-P1423 HydrophobicContact CE3-CG 4.12Å; W1413-P1423 HydrophobicContact CZ3-CG 4.35Å; E1414-P1423 HydrophobicContact CG-CG 3.59Å; E1414-P1423 WeakPolarHBondContact OE1-CD 3.23Å; P1423-Q1425 PolarHBondContact O-N 3.35Å |
| 1424 | F | 89.5 | Confident | 87.6 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 30.4 | 178.9 | -45.8 | -60 | 0 | 0 | 0 | 113.7 | R1387 L1410 E1422 E1426 I1427 L1433 M1436 P1473 T1475 L1476 | R1387-F1424 PolarHBondContact NH2-O 3.03Å; R1387-F1424 WeakPolarHBondContact O-CD2 3.45Å; R1387-F1424 VanDerWaalsContact O-CE2 3.29Å; R1387-F1424 WeakPolarHBondContact O-CE2 3.43Å; L1410-F1424 HydrophobicContact CD1-CE2 3.91Å; L1410-F1424 HydrophobicContact CD2-CE2 3.91Å; L1410-F1424 HydrophobicContact CD2-CZ 3.86Å; E1422-F1424 PolarHBondContact O-N 2.88Å; F1424-E1426 PolarHBondContact O-N 3.1Å; F1424-I1427 HydrophobicContact CB-CB 4.37Å; F1424-I1427 HydrophobicContact CB-CD1 4.03Å; F1424-I1427 HydrophobicContact CB-CG1 4.48Å; F1424-I1427 HydrophobicContact CD1-CD1 4.25Å; F1424-I1427 HydrophobicContact CG-CD1 4.47Å; F1424-I1427 WeakPolarHBondContact O-CB 3.42Å; F1424-I1427 PolarHBondContact O-N 3.36Å; F1424-L1433 HydrophobicContact CB-CD1 4.31Å; F1424-L1433 HydrophobicContact CD1-CD1 4.32Å; F1424-L1433 HydrophobicContact CD2-CD1 4.06Å; F1424-L1433 HydrophobicContact CE2-CD1 4.49Å; F1424-L1433 HydrophobicContact CG-CD1 3.95Å; F1424-M1436 HydrophobicContact CD1-CE 3.74Å; F1424-M1436 HydrophobicContact CD1-SD 4.32Å; F1424-M1436 HydrophobicContact CE1-CE 3.61Å; F1424-M1436 HydrophobicContact CE1-SD 4.49Å; F1424-P1473 HydrophobicContact CE1-CB 4.17Å; F1424-T1475 WeakPolarHBondContact CD1-OG1 3.38Å; F1424-L1476 HydrophobicContact CD1-CD2 4.34Å; F1424-L1476 HydrophobicContact CE1-CD1 3.84Å; F1424-L1476 HydrophobicContact CE1-CD2 4.03Å; F1424-L1476 HydrophobicContact CE1-CG 3.84Å; F1424-L1476 HydrophobicContact CZ-CD1 3.86Å; F1424-L1476 HydrophobicContact CZ-CD2 4.47Å; F1424-L1476 HydrophobicContact CZ-CG 4.34Å |
| 1425 | Q | 85 | Confident | 87.2 | Confident | 43 Ų | 43 | 49.6 Ų | 49.6 | 20% | 0.201 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -34.9 | -173.6 | -167.8 | 162.3 | 50.5 | 0 | 0 | 113.9 | H333 R1387 E1422 P1423 I1427 | H333-Q1425 PolarHBondContact CE1-OE1 3.22Å; R1387-Q1425 PolarHBondContact NH2-O 3.07Å; R1387-Q1425 VanDerWaalsContact NH2-O 3.13Å; E1422-Q1425 HydrophobicContact CB-CB 4.08Å; E1422-Q1425 HydrophobicContact CB-CG 4.23Å; E1422-Q1425 WeakPolarHBondContact O-CB 3.4Å; E1422-Q1425 PolarHBondContact O-N 2.89Å; E1422-Q1425 PolarHBondContact OE2-NE2 3.15Å; P1423-Q1425 PolarHBondContact O-N 3.35Å; Q1425-I1427 VanDerWaalsContact C-N 3.27Å; Q1425-I1427 PolarHBondContact O-N 3.45Å |
| 1426 | E | 83.3 | Confident | 87 | Confident | 81 Ų | 81 | 50.2 Ų | 50.2 | 38% | 0.379 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -26.8 | 177.3 | -63.9 | -169.6 | -145.9 | 0 | 0 | 113.9 | H333 K334 F1424 | H333-E1426 HydrophobicContact CB-CG 4.37Å; H333-E1426 WeakPolarHBondContact O-CG 3.18Å; K334-E1426 WeakPolarHBondContact CE-OE2 3.32Å; K334-E1426 IonicContact NZ-OE2 3.95Å; F1424-E1426 PolarHBondContact O-N 3.1Å |
| 1427 | I | 83.6 | Confident | 86.8 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 10% | 0.097 | 24% | 0.242 | C | C | . | . | trans | -81.3 | 126.7 | -172.3 | -65.9 | 174.8 | 0 | 0 | 0 | 110 | R1387 F1424 Q1425 T1429 E1432 L1433 M1436 | R1387-I1427 PolarHBondContact NH2-O 3.04Å; F1424-I1427 HydrophobicContact CB-CB 4.37Å; F1424-I1427 HydrophobicContact CB-CD1 4.03Å; F1424-I1427 HydrophobicContact CB-CG1 4.48Å; F1424-I1427 HydrophobicContact CD1-CD1 4.25Å; F1424-I1427 HydrophobicContact CG-CD1 4.47Å; F1424-I1427 WeakPolarHBondContact O-CB 3.42Å; F1424-I1427 PolarHBondContact O-N 3.36Å; Q1425-I1427 VanDerWaalsContact C-N 3.27Å; Q1425-I1427 PolarHBondContact O-N 3.45Å; I1427-T1429 WeakPolarHBondContact CG2-O 3.4Å; I1427-E1432 HydrophobicContact CG2-CB 3.73Å; I1427-L1433 HydrophobicContact CD1-CD1 4.15Å; I1427-L1433 HydrophobicContact CG2-CB 3.92Å; I1427-M1436 HydrophobicContact CD1-CB 4.49Å; I1427-M1436 HydrophobicContact CD1-CE 3.93Å; I1427-M1436 HydrophobicContact CD1-SD 3.58Å; I1427-M1436 VanDerWaalsContact CD1-SD 3.58Å | ||
| 1428 | K | 82.1 | Confident | 86.6 | Confident | 133 Ų | 133 | 50.9 Ų | 50.9 | 58% | 0.578 | 25% | 0.249 | S | C | * | . | trans | -106.3 | -19.8 | -169.7 | -62.7 | 173.5 | -174.2 | 170.9 | 0 | 113.4 | E1432 | K1428-E1432 WeakPolarHBondContact CA-OE2 3.44Å; K1428-E1432 WeakPolarHBondContact CB-OE2 3.33Å; K1428-E1432 PolarHBondContact N-OE2 3.17Å | ||
| 1429 | T | 83.3 | Confident | 86.3 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 33% | 0.331 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -133.1 | 158.7 | -173.4 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | I1427 Q1431 E1432 L1433 | I1427-T1429 WeakPolarHBondContact CG2-O 3.4Å; T1429-Q1431 VanDerWaalsContact C-N 3.3Å; T1429-E1432 WeakPolarHBondContact CB-OE2 3.48Å; T1429-E1432 PolarHBondContact N-OE2 3.41Å; T1429-E1432 WeakPolarHBondContact OG1-CB 3.4Å; T1429-E1432 WeakPolarHBondContact OG1-CG 3.06Å; T1429-E1432 PolarHBondContact OG1-N 3.16Å; T1429-E1432 VanDerWaalsContact OG1-N 3.17Å; T1429-E1432 PolarHBondContact OG1-OE2 3.47Å; T1429-L1433 PolarHBondContact O-N 3.21Å |
| 1430 | F | 83.1 | Confident | 86 | Confident | 89 Ų | 89 | 54.8 Ų | 54.8 | 39% | 0.39 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 174.2 | 176.7 | -95.1 | 0 | 0 | 0 | 111.8 | L1386 L1394 L1433 V1434 | L1386-F1430 HydrophobicContact CD1-CD2 4.25Å; L1394-F1430 HydrophobicContact CD2-CD2 4.36Å; L1394-F1430 HydrophobicContact CD2-CE2 3.73Å; F1430-L1433 PolarHBondContact O-N 3.47Å; F1430-V1434 HydrophobicContact CD1-CG2 4.21Å; F1430-V1434 HydrophobicContact CE1-CG2 3.82Å; F1430-V1434 HydrophobicContact CE2-CG2 4.3Å; F1430-V1434 HydrophobicContact CZ-CG2 3.87Å; F1430-V1434 WeakPolarHBondContact O-CG2 3.45Å; F1430-V1434 PolarHBondContact O-N 2.75Å |
| 1431 | Q | 85.4 | Confident | 85.9 | Confident | 138 Ų | 138 | 53.7 Ų | 53.7 | 65% | 0.645 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.7 | -45.5 | 179.2 | -66.9 | 80 | -0.9 | 0 | 0 | 112.1 | T1429 L1433 V1434 G1435 | T1429-Q1431 VanDerWaalsContact C-N 3.3Å; Q1431-L1433 VanDerWaalsContact C-N 3.34Å; Q1431-L1433 PolarHBondContact O-N 3.24Å; Q1431-V1434 PolarHBondContact O-N 2.79Å; Q1431-G1435 PolarHBondContact O-N 3.03Å |
| 1432 | E | 87.4 | Confident | 85.6 | Confident | 92 Ų | 92 | 54.2 Ų | 54.2 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 174.5 | -73.1 | 159.4 | 153.9 | 0 | 0 | 111.6 | I1427 K1428 T1429 G1435 M1436 | I1427-E1432 HydrophobicContact CG2-CB 3.73Å; K1428-E1432 WeakPolarHBondContact CA-OE2 3.44Å; K1428-E1432 WeakPolarHBondContact CB-OE2 3.33Å; K1428-E1432 PolarHBondContact N-OE2 3.17Å; T1429-E1432 WeakPolarHBondContact CB-OE2 3.48Å; T1429-E1432 PolarHBondContact N-OE2 3.41Å; T1429-E1432 WeakPolarHBondContact OG1-CB 3.4Å; T1429-E1432 WeakPolarHBondContact OG1-CG 3.06Å; T1429-E1432 PolarHBondContact OG1-N 3.16Å; T1429-E1432 VanDerWaalsContact OG1-N 3.17Å; T1429-E1432 PolarHBondContact OG1-OE2 3.47Å; E1432-G1435 PolarHBondContact O-N 2.71Å; E1432-M1436 PolarHBondContact O-N 3.22Å |
| 1433 | L | 88.8 | Confident | 85 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -50 | 177.6 | -176.8 | 61.5 | 0 | 0 | 0 | 111.6 | L1394 F1424 I1427 T1429 F1430 Q1431 G1435 M1436 L1437 | L1394-L1433 HydrophobicContact CD1-CD2 4.1Å; L1394-L1433 HydrophobicContact CD1-CG 4.41Å; F1424-L1433 HydrophobicContact CB-CD1 4.31Å; F1424-L1433 HydrophobicContact CD1-CD1 4.32Å; F1424-L1433 HydrophobicContact CD2-CD1 4.06Å; F1424-L1433 HydrophobicContact CE2-CD1 4.49Å; F1424-L1433 HydrophobicContact CG-CD1 3.95Å; I1427-L1433 HydrophobicContact CD1-CD1 4.15Å; I1427-L1433 HydrophobicContact CG2-CB 3.92Å; T1429-L1433 PolarHBondContact O-N 3.21Å; F1430-L1433 PolarHBondContact O-N 3.47Å; Q1431-L1433 VanDerWaalsContact C-N 3.34Å; Q1431-L1433 PolarHBondContact O-N 3.24Å; L1433-G1435 VanDerWaalsContact C-N 3.34Å; L1433-G1435 PolarHBondContact O-N 3.31Å; L1433-M1436 HydrophobicContact CD1-CE 4.21Å; L1433-L1437 HydrophobicContact CD1-CD1 4.03Å; L1433-L1437 HydrophobicContact CD1-CG 4.38Å; L1433-L1437 HydrophobicContact CG-CD1 3.99Å; L1433-L1437 WeakPolarHBondContact O-CB 3.23Å; L1433-L1437 VanDerWaalsContact O-CG 3.23Å; L1433-L1437 WeakPolarHBondContact O-CG 3.38Å; L1433-L1437 PolarHBondContact O-N 2.89Å |
| 1434 | V | 87.9 | Confident | 84.3 | Confident | 28 Ų | 28 | 52 Ų | 52 | 17% | 0.17 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63 | -39.2 | 178.2 | 164.7 | 0 | 0 | 0 | 0 | 111.8 | L1395 F1430 Q1431 S1438 | L1395-V1434 HydrophobicContact CD2-CG1 3.76Å; L1395-V1434 HydrophobicContact CD2-CG2 4.22Å; F1430-V1434 HydrophobicContact CD1-CG2 4.21Å; F1430-V1434 HydrophobicContact CE1-CG2 3.82Å; F1430-V1434 HydrophobicContact CE2-CG2 4.3Å; F1430-V1434 HydrophobicContact CZ-CG2 3.87Å; F1430-V1434 WeakPolarHBondContact O-CG2 3.45Å; F1430-V1434 PolarHBondContact O-N 2.75Å; Q1431-V1434 PolarHBondContact O-N 2.79Å; V1434-S1438 WeakPolarHBondContact O-CB 3.47Å; V1434-S1438 PolarHBondContact O-N 3.42Å; V1434-S1438 PolarHBondContact O-OG 3.21Å |
| 1435 | G | 86.5 | Confident | 83.4 | Confident | 29 Ų | 29 | 55.8 Ų | 55.8 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60 | -56.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1431 E1432 L1433 L1437 S1438 E1439 | Q1431-G1435 PolarHBondContact O-N 3.03Å; E1432-G1435 PolarHBondContact O-N 2.71Å; L1433-G1435 VanDerWaalsContact C-N 3.34Å; L1433-G1435 PolarHBondContact O-N 3.31Å; G1435-L1437 VanDerWaalsContact C-N 3.32Å; G1435-L1437 PolarHBondContact O-N 2.91Å; G1435-S1438 CarbonylContact O-C 3.13Å; G1435-S1438 WeakPolarHBondContact O-CA 3.29Å; G1435-S1438 WeakPolarHBondContact O-CB 3.48Å; G1435-S1438 PolarHBondContact O-N 2.65Å; G1435-E1439 PolarHBondContact O-N 2.94Å |
| 1436 | M | 89.2 | Confident | 82.4 | Confident | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.059 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 178.9 | -179 | -148.4 | 62.8 | 0 | 0 | 112.6 | F1424 I1427 E1432 L1433 S1438 E1439 H1440 P1473 S1474 T1475 | F1424-M1436 HydrophobicContact CD1-CE 3.74Å; F1424-M1436 HydrophobicContact CD1-SD 4.32Å; F1424-M1436 HydrophobicContact CE1-CE 3.61Å; F1424-M1436 HydrophobicContact CE1-SD 4.49Å; I1427-M1436 HydrophobicContact CD1-CB 4.49Å; I1427-M1436 HydrophobicContact CD1-CE 3.93Å; I1427-M1436 HydrophobicContact CD1-SD 3.58Å; I1427-M1436 VanDerWaalsContact CD1-SD 3.58Å; E1432-M1436 PolarHBondContact O-N 3.22Å; L1433-M1436 HydrophobicContact CD1-CE 4.21Å; M1436-S1438 VanDerWaalsContact C-N 3.26Å; M1436-S1438 PolarHBondContact O-N 2.83Å; M1436-E1439 PolarHBondContact O-N 2.98Å; M1436-H1440 WeakPolarHBondContact O-CB 3.18Å; M1436-H1440 PolarHBondContact O-N 3.39Å; M1436-P1473 HydrophobicContact CE-CB 4.14Å; M1436-S1474 WeakPolarHBondContact CG-OG 3.45Å; M1436-T1475 HydrophobicContact SD-CG2 3.97Å; M1436-T1475 PolarHBondContact SD-OG1 2.98Å |
| 1437 | L | 88.6 | Confident | 81.2 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.5 | -26.4 | 176 | -68.5 | 174.4 | 0 | 0 | 0 | 112.7 | P1391 L1394 W1406 L1433 G1435 Y1496 | P1391-L1437 HydrophobicContact CG-CB 4.37Å; P1391-L1437 HydrophobicContact CG-CD1 4.4Å; L1394-L1437 HydrophobicContact CD1-CD1 3.61Å; W1406-L1437 HydrophobicContact CH2-CD2 3.63Å; W1406-L1437 HydrophobicContact CZ2-CD2 3.63Å; L1433-L1437 HydrophobicContact CD1-CD1 4.03Å; L1433-L1437 HydrophobicContact CD1-CG 4.38Å; L1433-L1437 HydrophobicContact CG-CD1 3.99Å; L1433-L1437 WeakPolarHBondContact O-CB 3.23Å; L1433-L1437 VanDerWaalsContact O-CG 3.23Å; L1433-L1437 WeakPolarHBondContact O-CG 3.38Å; L1433-L1437 PolarHBondContact O-N 2.89Å; G1435-L1437 VanDerWaalsContact C-N 3.32Å; G1435-L1437 PolarHBondContact O-N 2.91Å; L1437-Y1496 VanDerWaalsContact O-CD2 3.25Å; L1437-Y1496 WeakPolarHBondContact O-CD2 3.4Å; L1437-Y1496 WeakPolarHBondContact O-CE2 3.24Å |
| 1438 | S | 85.7 | Confident | 79.6 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -79.3 | -38.5 | 173.9 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | V1434 G1435 M1436 H1440 N1441 I1442 | V1434-S1438 WeakPolarHBondContact O-CB 3.47Å; V1434-S1438 PolarHBondContact O-N 3.42Å; V1434-S1438 PolarHBondContact O-OG 3.21Å; G1435-S1438 CarbonylContact O-C 3.13Å; G1435-S1438 WeakPolarHBondContact O-CA 3.29Å; G1435-S1438 WeakPolarHBondContact O-CB 3.48Å; G1435-S1438 PolarHBondContact O-N 2.65Å; M1436-S1438 VanDerWaalsContact C-N 3.26Å; M1436-S1438 PolarHBondContact O-N 2.83Å; S1438-H1440 VanDerWaalsContact C-N 3.3Å; S1438-H1440 PolarHBondContact O-N 3.4Å; S1438-N1441 WeakPolarHBondContact O-CB 3.22Å; S1438-N1441 PolarHBondContact O-N 2.92Å; S1438-I1442 WeakPolarHBondContact O-CG1 3.39Å; S1438-I1442 PolarHBondContact O-N 3.11Å |
| 1439 | E | 84.2 | Confident | 77.9 | Confident | 124 Ų | 124 | 60.1 Ų | 60.1 | 58% | 0.579 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.4 | -40 | 172.3 | -70.6 | 170.8 | -178 | 0 | 0 | 111.8 | G1435 M1436 N1441 I1442 S1443 | G1435-E1439 PolarHBondContact O-N 2.94Å; M1436-E1439 PolarHBondContact O-N 2.98Å; E1439-N1441 VanDerWaalsContact C-N 3.3Å; E1439-N1441 PolarHBondContact O-N 3.19Å; E1439-I1442 WeakPolarHBondContact O-CB 3.46Å; E1439-I1442 PolarHBondContact O-N 3.38Å; E1439-S1443 PolarHBondContact O-N 3.16Å; E1439-S1443 PolarHBondContact O-OG 2.96Å |
| 1440 | H | 82.5 | Confident | 75.8 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 3% | 0.028 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.7 | -34.4 | 175 | 173.1 | -97.6 | 0 | 0 | 0 | 113.8 | M1436 S1438 S1443 N1444 L1471 P1472 P1473 W1494 | M1436-H1440 WeakPolarHBondContact O-CB 3.18Å; M1436-H1440 PolarHBondContact O-N 3.39Å; S1438-H1440 VanDerWaalsContact C-N 3.3Å; S1438-H1440 PolarHBondContact O-N 3.4Å; H1440-S1443 PolarHBondContact O-OG 2.86Å; H1440-S1443 VanDerWaalsContact O-OG 3.12Å; H1440-N1444 PolarHBondContact CD2-ND2 3.37Å; H1440-N1444 PolarHBondContact CE1-ND2 3.13Å; H1440-N1444 PolarHBondContact NE2-ND2 3.21Å; H1440-N1444 VanDerWaalsContact NE2-ND2 3.14Å; H1440-N1444 PolarHBondContact O-N 3.23Å; H1440-N1444 PolarHBondContact O-ND2 2.85Å; H1440-L1471 PolarHBondContact CD2-O 3.22Å; H1440-L1471 PolarHBondContact NE2-O 2.95Å; H1440-P1472 PolarHBondContact CD2-O 2.99Å; H1440-P1472 VanDerWaalsContact CD2-O 3.31Å; H1440-P1473 VanDerWaalsContact CD2-N 3.33Å; H1440-W1494 PolarHBondContact CE1-O 3.31Å |
| 1441 | N | 84.4 | Confident | 73.6 | Confident | 46 Ų | 46 | 65 Ų | 65 | 25% | 0.246 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.8 | -44.4 | 171.2 | -171.7 | 25.2 | 0 | 0 | 0 | 110.8 | S1438 E1439 N1444 N1445 Y1496 | S1438-N1441 WeakPolarHBondContact O-CB 3.22Å; S1438-N1441 PolarHBondContact O-N 2.92Å; E1439-N1441 VanDerWaalsContact C-N 3.3Å; E1439-N1441 PolarHBondContact O-N 3.19Å; N1441-N1444 PolarHBondContact O-N 3.43Å; N1441-N1445 WeakPolarHBondContact O-CB 3.49Å; N1441-N1445 VanDerWaalsContact O-CG 3.22Å; N1441-N1445 PolarHBondContact O-N 3.32Å; N1441-N1445 PolarHBondContact O-ND2 3.16Å; N1441-N1445 PolarHBondContact OD1-ND2 3.08Å; N1441-Y1496 HydrophobicContact CB-CD1 3.96Å; N1441-Y1496 HydrophobicContact CB-CD2 3.68Å; N1441-Y1496 HydrophobicContact CB-CE1 4.3Å; N1441-Y1496 HydrophobicContact CB-CE2 4.03Å; N1441-Y1496 HydrophobicContact CB-CG 3.64Å; N1441-Y1496 VanDerWaalsContact CG-CD1 3.46Å; N1441-Y1496 WeakPolarHBondContact ND2-CE1 3.48Å |
| 1442 | I | 79.9 | Confident | 71 | Confident | 95 Ų | 95 | 62.9 Ų | 62.9 | 49% | 0.487 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | -178.1 | -64.3 | 166.6 | 0 | 0 | 0 | 111.5 | S1438 E1439 N1445 K1446 | S1438-I1442 WeakPolarHBondContact O-CG1 3.39Å; S1438-I1442 PolarHBondContact O-N 3.11Å; E1439-I1442 WeakPolarHBondContact O-CB 3.46Å; E1439-I1442 PolarHBondContact O-N 3.38Å; I1442-N1445 PolarHBondContact O-N 3.14Å; I1442-K1446 WeakPolarHBondContact O-CG 3.18Å; I1442-K1446 PolarHBondContact O-N 3.33Å; I1442-K1446 VanDerWaalsContact O-N 3.08Å |
| 1443 | S | 75.8 | Confident | 68.2 | Low | 41 Ų | 41 | 65 Ų | 65 | 29% | 0.287 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 178.5 | 59.5 | 0 | 0 | 0 | 0 | 112 | E1439 H1440 N1445 K1446 N1447 | E1439-S1443 PolarHBondContact O-N 3.16Å; E1439-S1443 PolarHBondContact O-OG 2.96Å; H1440-S1443 PolarHBondContact O-OG 2.86Å; H1440-S1443 VanDerWaalsContact O-OG 3.12Å; S1443-N1445 PolarHBondContact O-N 2.89Å; S1443-K1446 PolarHBondContact O-N 2.88Å; S1443-N1447 PolarHBondContact O-N 3.11Å |
| 1444 | N | 74.5 | Confident | 65.7 | Low | 9 Ų | 9 | 70.4 Ų | 70.4 | 5% | 0.048 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -67.1 | -33 | 177.3 | -78.3 | -60.3 | 0 | 0 | 0 | 113 | H1440 N1441 N1448 L1470 L1471 | H1440-N1444 PolarHBondContact CD2-ND2 3.37Å; H1440-N1444 PolarHBondContact CE1-ND2 3.13Å; H1440-N1444 PolarHBondContact NE2-ND2 3.21Å; H1440-N1444 VanDerWaalsContact NE2-ND2 3.14Å; H1440-N1444 PolarHBondContact O-N 3.23Å; H1440-N1444 PolarHBondContact O-ND2 2.85Å; N1441-N1444 PolarHBondContact O-N 3.43Å; N1444-N1448 PolarHBondContact O-N 3.41Å; N1444-N1448 PolarHBondContact O-ND2 2.96Å; N1444-L1470 HydrophobicContact CB-CD1 3.99Å; N1444-L1470 WeakPolarHBondContact OD1-CD1 3.5Å; N1444-L1471 PolarHBondContact ND2-O 3.02Å; N1444-L1471 PolarHBondContact OD1-N 3.4Å |
| 1445 | N | 70.2 | Confident | 63 | Low | 83 Ų | 83 | 76.6 Ų | 76.6 | 44% | 0.444 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.7 | -35.9 | 175 | -70.2 | -35.5 | 0 | 0 | 0 | 112.5 | N1441 I1442 S1443 N1448 S1449 | N1441-N1445 WeakPolarHBondContact O-CB 3.49Å; N1441-N1445 VanDerWaalsContact O-CG 3.22Å; N1441-N1445 PolarHBondContact O-N 3.32Å; N1441-N1445 PolarHBondContact O-ND2 3.16Å; N1441-N1445 PolarHBondContact OD1-ND2 3.08Å; I1442-N1445 PolarHBondContact O-N 3.14Å; S1443-N1445 PolarHBondContact O-N 2.89Å; N1445-N1448 PolarHBondContact O-N 3.23Å; N1445-N1448 VanDerWaalsContact O-N 3.16Å; N1445-S1449 PolarHBondContact O-N 3.39Å |
| 1446 | K | 63.7 | Low | 60.5 | Low | 140 Ų | 140 | 83 Ų | 83 | 61% | 0.609 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -60 | -45.7 | 172.6 | -73.6 | 178.2 | 178.3 | -176 | 0 | 111.8 | I1442 S1443 N1448 S1449 | I1442-K1446 WeakPolarHBondContact O-CG 3.18Å; I1442-K1446 PolarHBondContact O-N 3.33Å; I1442-K1446 VanDerWaalsContact O-N 3.08Å; S1443-K1446 PolarHBondContact O-N 2.88Å; K1446-N1448 PolarHBondContact O-N 2.85Å; K1446-N1448 VanDerWaalsContact O-N 3.14Å; K1446-S1449 PolarHBondContact O-N 2.76Å; K1446-S1449 PolarHBondContact O-OG 2.88Å |
| 1447 | N | 58.7 | Low | 57.8 | Low | 76 Ų | 76 | 87.1 Ų | 87.1 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -18.4 | 177.1 | -73.3 | 6.4 | 0 | 0 | 0 | 114 | S1443 | S1443-N1447 PolarHBondContact O-N 3.11Å |
| 1448 | N | 50.2 | Low | 55 | Low | 62 Ų | 62 | 97.9 Ų | 97.9 | 33% | 0.332 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -91 | -10.8 | 175.3 | -74.1 | -57.6 | 0 | 0 | 0 | 113.7 | N1444 N1445 K1446 Q1468 | N1444-N1448 PolarHBondContact O-N 3.41Å; N1444-N1448 PolarHBondContact O-ND2 2.96Å; N1445-N1448 PolarHBondContact O-N 3.23Å; N1445-N1448 VanDerWaalsContact O-N 3.16Å; K1446-N1448 PolarHBondContact O-N 2.85Å; K1446-N1448 VanDerWaalsContact O-N 3.14Å; N1448-Q1468 WeakPolarHBondContact OD1-CG 3.45Å; N1448-Q1468 PolarHBondContact OD1-NE2 3.21Å |
| 1449 | S | 45.3 | Very low | 52.6 | Low | 89 Ų | 89 | 105.1 Ų | 105.1 | 62% | 0.622 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -92.3 | -7 | -176.1 | 62.6 | 0 | 0 | 0 | 0 | 115.6 | N1445 K1446 N1451 | N1445-S1449 PolarHBondContact O-N 3.39Å; K1446-S1449 PolarHBondContact O-N 2.76Å; K1446-S1449 PolarHBondContact O-OG 2.88Å; S1449-N1451 PolarHBondContact O-N 2.84Å |
| 1450 | T | 40 | Very low | 50.1 | Low | 99 Ų | 99 | 106.6 Ų | 106.6 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -81.1 | 100.9 | 177.1 | 50 | 0 | 0 | 0 | 0 | 110.7 | C1452 | T1450-C1452 PolarHBondContact O-N 2.9Å; T1450-C1452 VanDerWaalsContact O-N 3.17Å |
| 1451 | N | 36 | Very low | 47.5 | Very low | 147 Ų | 147 | 112.8 Ų | 112.8 | 79% | 0.786 | 60% | 0.604 | S | S | * | * | trans | -59.8 | 112.9 | 174.3 | -90.7 | -17.7 | 0 | 0 | 0 | 111.4 | S1449 N1453 | S1449-N1451 PolarHBondContact O-N 2.84Å; N1451-N1453 PolarHBondContact O-N 2.97Å | ||
| 1452 | C | 31.4 | Very low | 44.9 | Very low | 92 Ų | 92 | 120.6 Ų | 120.6 | 62% | 0.622 | 64% | 0.635 | S | S | * | * | trans | -77.7 | 48.9 | 173.3 | -65.5 | 0 | 0 | 0 | 0 | 112.7 | T1450 | T1450-C1452 PolarHBondContact O-N 2.9Å; T1450-C1452 VanDerWaalsContact O-N 3.17Å | ||
| 1453 | N | 29.2 | Very low | 42.6 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 74% | 0.738 | 66% | 0.655 | S | S | * | * | trans | -115.5 | 96.1 | 178.8 | -77.3 | -1.4 | 0 | 0 | 0 | 110.8 | N1451 | N1451-N1453 PolarHBondContact O-N 2.97Š| ||
| 1454 | S | 36.2 | Very low | 40.3 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 83% | 0.825 | 67% | 0.673 | S | S | * | * | trans | -166.7 | 134.3 | 155.2 | 18.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1455 | D | 30.9 | Very low | 38.2 | Very low | 158 Ų | 158 | 138 Ų | 138 | 85% | 0.845 | 72% | 0.715 | S | S | * | * | trans | -73.6 | 142.6 | -173.7 | -57.6 | -93.8 | 0 | 0 | 0 | 113.4 | ||||
| 1456 | I | 33.4 | Very low | 36.3 | Very low | 163 Ų | 163 | 140.6 Ų | 140.6 | 84% | 0.836 | 73% | 0.729 | S | S | * | * | trans | -163.8 | 125.5 | 151.5 | -101.7 | 145.5 | 0 | 0 | 0 | 110.3 | ||||
| 1457 | S | 34 | Very low | 34.6 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | 33.2 | 130.5 | 165.1 | 62.7 | 0 | 0 | 0 | 0 | 121.6 | E1459 | S1457-E1459 PolarHBondContact O-N 3.33Š| ||
| 1458 | R | 29.9 | Very low | 34.2 | Very low | 229 Ų | 229 | 141.4 Ų | 141.4 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -82.1 | -2.1 | -169.3 | -75 | 179.6 | 171.7 | 160.4 | -1.3 | 117.8 | ||
| 1459 | E | 34.3 | Very low | 34.7 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -93.9 | -6.6 | -166.8 | -68.7 | -172.8 | 119.8 | 0 | 0 | 116.8 | S1457 L1461 | S1457-E1459 PolarHBondContact O-N 3.33Å; E1459-L1461 VanDerWaalsContact C-N 3.33Å |
| 1460 | M | 31.3 | Very low | 36 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -89 | 8.7 | 173 | -71.2 | -162.7 | 172.7 | 0 | 0 | 114.5 | K1462 | M1460-K1462 VanDerWaalsContact C-N 3.33Å; M1460-K1462 PolarHBondContact O-N 2.75Å |
| 1461 | L | 29.4 | Very low | 37.9 | Very low | 136 Ų | 136 | 143 Ų | 143 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 52.3 | -166.6 | -92.5 | 161.9 | 0 | 0 | 0 | 115.6 | E1459 | E1459-L1461 VanDerWaalsContact C-N 3.33Š|
| 1462 | K | 29.6 | Very low | 40.3 | Very low | 210 Ų | 210 | 137.6 Ų | 137.6 | 91% | 0.913 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.7 | 2.4 | 161.3 | -75.6 | -166.4 | 177.1 | 178.6 | 0 | 115.8 | M1460 | M1460-K1462 VanDerWaalsContact C-N 3.33Å; M1460-K1462 PolarHBondContact O-N 2.75Å |
| 1463 | K | 31.7 | Very low | 43 | Very low | 207 Ų | 207 | 133.2 Ų | 133.2 | 90% | 0.9 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -137 | 25.7 | -179 | -83 | -169.5 | 172.7 | -177.8 | 0 | 115.8 | ||
| 1464 | K | 26.7 | Very low | 45.3 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 66% | 0.657 | 67% | 0.665 | S | S | * | * | trans | -135.5 | 105 | 175.2 | -79.6 | -177.5 | 175.8 | 174.9 | 0 | 113.1 | N1466 | K1464-N1466 HydrophobicContact CB-CB 4.48Š| ||
| 1465 | T | 29.9 | Very low | 47.4 | Very low | 152 Ų | 152 | 127.5 Ų | 127.5 | 93% | 0.933 | 64% | 0.638 | S | S | * | * | trans | -105.1 | 64.8 | 158.8 | 38.1 | 0 | 0 | 0 | 0 | 108.9 | C1467 | T1465-C1467 PolarHBondContact O-N 3.02Š| ||
| 1466 | N | 31.1 | Very low | 50.2 | Low | 139 Ų | 139 | 120.2 Ų | 120.2 | 74% | 0.743 | 60% | 0.599 | S | S | * | * | trans | -101.1 | 77.9 | -165.2 | -161.6 | 53.9 | 0 | 0 | 0 | 112.6 | K1464 | K1464-N1466 HydrophobicContact CB-CB 4.48Š| ||
| 1467 | C | 28.4 | Very low | 52.9 | Low | 87 Ų | 87 | 115.7 Ų | 115.7 | 59% | 0.588 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -151 | 142 | 169.9 | -98 | 0 | 0 | 0 | 0 | 111.2 | T1465 | T1465-C1467 PolarHBondContact O-N 3.02Š|
| 1468 | Q | 50.3 | Low | 55.6 | Low | 145 Ų | 145 | 115.5 Ų | 115.5 | 68% | 0.678 | 56% | 0.561 | S | S | * | * | trans | 53.2 | 66.6 | 162.3 | -59.9 | 179.9 | -1.5 | 0 | 0 | 117.7 | N1448 | N1448-Q1468 WeakPolarHBondContact OD1-CG 3.45Å; N1448-Q1468 PolarHBondContact OD1-NE2 3.21Å | ||
| 1469 | R | 60.3 | Low | 58.4 | Low | 170 Ų | 170 | 104.6 Ų | 104.6 | 64% | 0.642 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 129.6 | 157.4 | -87.6 | 179 | 151.9 | 160.3 | -5.4 | 110.7 | E1488 | R1469-E1488 IonicContact CZ-OE1 2.84Å; R1469-E1488 IonicContact NE-OE1 3.37Å; R1469-E1488 PolarHBondContact NE-OE1 3.03Å; R1469-E1488 IonicContact NH2-OE1 2.68Å; R1469-E1488 PolarHBondContact NH2-OE1 2.83Å |
| 1470 | L | 71.8 | Confident | 60.6 | Low | 42 Ų | 42 | 103.5 Ų | 103.5 | 22% | 0.22 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -89.5 | 125.8 | 176.2 | -157.4 | 76.9 | 0 | 0 | 0 | 109.7 | N1444 C1491 | N1444-L1470 HydrophobicContact CB-CD1 3.99Å; N1444-L1470 WeakPolarHBondContact OD1-CD1 3.5Å; L1470-C1491 WeakPolarHBondContact O-CB 3.34Å |
| 1471 | L | 80 | Confident | 63.1 | Low | 73 Ų | 73 | 97.5 Ų | 97.5 | 38% | 0.382 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 145.1 | 179.8 | -66.7 | 169 | 0 | 0 | 0 | 111.1 | H1440 N1444 | H1440-L1471 PolarHBondContact CD2-O 3.22Å; H1440-L1471 PolarHBondContact NE2-O 2.95Å; N1444-L1471 PolarHBondContact ND2-O 3.02Å; N1444-L1471 PolarHBondContact OD1-N 3.4Å |
| 1472 | P | 86.5 | Confident | 65.8 | Low | 33 Ų | 33 | 91.2 Ų | 91.2 | 21% | 0.214 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -73 | 164.5 | 168.9 | 34.8 | -38.7 | 0 | 0 | 0 | 111.4 | H1440 W1487 W1494 | H1440-P1472 PolarHBondContact CD2-O 2.99Å; H1440-P1472 VanDerWaalsContact CD2-O 3.31Å; P1472-W1487 HydrophobicContact CB-CH2 4.33Å; P1472-W1487 HydrophobicContact CB-CZ2 4.14Å; P1472-W1487 HydrophobicContact CG-CZ2 3.94Å; P1472-W1494 HydrophobicContact CB-CE3 4.03Å; P1472-W1494 HydrophobicContact CB-CZ3 4.06Å |
| 1473 | P | 87.4 | Confident | 68.5 | Low | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 139 | 165.1 | -25 | 35.1 | 0 | 0 | 0 | 111.3 | W1406 F1424 M1436 H1440 T1475 L1476 W1494 | W1406-P1473 HydrophobicContact CH2-CG 4.34Å; F1424-P1473 HydrophobicContact CE1-CB 4.17Å; M1436-P1473 HydrophobicContact CE-CB 4.14Å; H1440-P1473 VanDerWaalsContact CD2-N 3.33Å; P1473-T1475 PolarHBondContact O-N 3.42Å; P1473-L1476 HydrophobicContact CB-CD1 4.22Å; P1473-L1476 HydrophobicContact CB-CG 4.38Å; P1473-L1476 HydrophobicContact CG-CD1 4.05Å; P1473-L1476 PolarHBondContact O-N 3.31Å; P1473-W1494 HydrophobicContact CG-CB 4.26Å |
| 1474 | S | 78.3 | Confident | 71.1 | Confident | 93 Ų | 93 | 78 Ų | 78 | 65% | 0.65 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -1.8 | -164.7 | 52.7 | 0 | 0 | 0 | 0 | 116.9 | M1436 | M1436-S1474 WeakPolarHBondContact CG-OG 3.45Š|
| 1475 | T | 80.7 | Confident | 74 | Confident | 42 Ų | 42 | 75 Ų | 75 | 26% | 0.258 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | 7.4 | 174.7 | 53.1 | 0 | 0 | 0 | 0 | 113.6 | F1424 M1436 P1473 | F1424-T1475 WeakPolarHBondContact CD1-OG1 3.38Å; M1436-T1475 HydrophobicContact SD-CG2 3.97Å; M1436-T1475 PolarHBondContact SD-OG1 2.98Å; P1473-T1475 PolarHBondContact O-N 3.42Å |
| 1476 | L | 89.4 | Confident | 76.9 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | trans | -110.9 | 99.3 | 175.3 | -59.1 | -178.6 | 0 | 0 | 0 | 109.7 | L1410 W1413 F1424 P1473 W1494 | L1410-L1476 HydrophobicContact CD2-CD1 3.57Å; W1413-L1476 HydrophobicContact CD2-CD2 4.09Å; W1413-L1476 HydrophobicContact CE3-CD2 4.5Å; W1413-L1476 HydrophobicContact CH2-CD2 4.49Å; W1413-L1476 HydrophobicContact CZ2-CD2 4.1Å; F1424-L1476 HydrophobicContact CD1-CD2 4.34Å; F1424-L1476 HydrophobicContact CE1-CD1 3.84Å; F1424-L1476 HydrophobicContact CE1-CD2 4.03Å; F1424-L1476 HydrophobicContact CE1-CG 3.84Å; F1424-L1476 HydrophobicContact CZ-CD1 3.86Å; F1424-L1476 HydrophobicContact CZ-CD2 4.47Å; F1424-L1476 HydrophobicContact CZ-CG 4.34Å; P1473-L1476 HydrophobicContact CB-CD1 4.22Å; P1473-L1476 HydrophobicContact CB-CG 4.38Å; P1473-L1476 HydrophobicContact CG-CD1 4.05Å; P1473-L1476 PolarHBondContact O-N 3.31Å; L1476-W1494 HydrophobicContact CB-CH2 4.29Å; L1476-W1494 HydrophobicContact CB-CZ3 4.29Å; L1476-W1494 HydrophobicContact CD1-CD2 4.1Å; L1476-W1494 HydrophobicContact CD1-CE3 4.22Å; L1476-W1494 HydrophobicContact CD1-CH2 3.89Å; L1476-W1494 HydrophobicContact CD1-CZ2 3.75Å; L1476-W1494 HydrophobicContact CD1-CZ3 4.13Å | ||
| 1477 | D | 90.1 | Very high | 79.9 | Confident | 68 Ų | 68 | 62.7 Ų | 62.7 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -84 | 161.7 | 174.6 | 62 | -26.3 | 0 | 0 | 0 | 112.4 | W1413 H1417 R1421 P1479 W1487 | W1413-D1477 PolarHBondContact NE1-O 3.24Å; H1417-D1477 IonicContact CE1-OD1 3.57Å; H1417-D1477 IonicContact NE2-OD1 3.58Å; R1421-D1477 IonicContact CZ-OD1 2.75Å; R1421-D1477 IonicContact CZ-OD2 3.95Å; R1421-D1477 IonicContact NH1-OD1 3.61Å; R1421-D1477 PolarHBondContact NH1-OD1 2.74Å; R1421-D1477 IonicContact NH1-OD2 2.71Å; R1421-D1477 PolarHBondContact NH1-OD2 3.14Å; R1421-D1477 IonicContact NH2-OD2 3.19Å; D1477-P1479 WeakPolarHBondContact O-CD 3.43Å; D1477-W1487 VanDerWaalsContact C-CH2 3.48Å; D1477-W1487 WeakPolarHBondContact O-CH2 3.31Å |
| 1478 | R | 90.9 | Very high | 82.8 | Confident | 96 Ų | 96 | 60.8 Ų | 60.8 | 36% | 0.362 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 121.3 | 179.8 | -179.5 | 174.8 | 168.4 | 179.6 | -6 | 110.1 | V1482 D1484 W1487 | R1478-V1482 PolarHBondContact NE-O 2.77Å; R1478-V1482 PolarHBondContact NH2-O 3.48Å; R1478-D1484 IonicContact CZ-OD1 3.69Å; R1478-D1484 IonicContact NH1-OD1 3.5Å; R1478-D1484 PolarHBondContact NH1-OD1 3.49Å; R1478-D1484 IonicContact NH1-OD2 2.71Å; R1478-D1484 VanDerWaalsContact NH2-N 3.19Å; R1478-D1484 IonicContact NH2-OD1 3.84Å; R1478-D1484 PolarHBondContact NH2-OD1 3.12Å; R1478-W1487 HydrophobicContact CB-CD2 3.83Å; R1478-W1487 HydrophobicContact CB-CE3 4.14Å; R1478-W1487 HydrophobicContact CB-CG 4.36Å; R1478-W1487 HydrophobicContact CB-CH2 4.15Å; R1478-W1487 HydrophobicContact CB-CZ2 3.81Å; R1478-W1487 HydrophobicContact CB-CZ3 4.31Å; R1478-W1487 HydrophobicContact CG-CB 4.41Å; R1478-W1487 HydrophobicContact CG-CD2 3.71Å; R1478-W1487 HydrophobicContact CG-CE3 4.03Å; R1478-W1487 HydrophobicContact CG-CG 3.88Å |
| 1479 | P | 88.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 137 | 172.7 | -10.1 | 23.7 | 0 | 0 | 0 | 110 | F1416 D1477 L1481 V1482 | F1416-P1479 HydrophobicContact CB-CB 3.76Å; F1416-P1479 HydrophobicContact CB-CG 3.94Å; D1477-P1479 WeakPolarHBondContact O-CD 3.43Å; P1479-L1481 PolarHBondContact O-N 3.46Å; P1479-V1482 HydrophobicContact CB-CG2 3.94Å; P1479-V1482 HydrophobicContact CG-CG2 3.82Å; P1479-V1482 WeakPolarHBondContact O-CB 3.5Å; P1479-V1482 PolarHBondContact O-N 3.36Å |
| 1480 | I | 81.1 | Confident | 86.5 | Confident | 169 Ų | 169 | 47 Ų | 47 | 87% | 0.867 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -30.1 | -176.5 | -61.4 | 171.7 | 0 | 0 | 0 | 112.5 | V1482 | I1480-V1482 VanDerWaalsContact C-N 3.32Å; I1480-V1482 PolarHBondContact O-N 3.47Å |
| 1481 | L | 83.2 | Confident | 87.5 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 15% | 0.152 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 1.6 | -178 | -59.3 | -178.6 | 0 | 0 | 0 | 114.7 | M1259 L1263 V1296 I1299 F1416 L1418 P1479 | M1259-L1481 HydrophobicContact CE-CD1 3.79Å; M1259-L1481 HydrophobicContact CE-CD2 4.39Å; L1263-L1481 HydrophobicContact CD1-CD2 3.98Å; V1296-L1481 HydrophobicContact CG2-CD2 4.18Å; I1299-L1481 HydrophobicContact CD1-CD1 4.08Å; F1416-L1481 HydrophobicContact CD1-CB 3.83Å; L1418-L1481 HydrophobicContact CD1-CD1 4.2Å; L1418-L1481 HydrophobicContact CD2-CD1 4.06Å; L1418-L1481 HydrophobicContact CG-CD1 4.09Å; P1479-L1481 PolarHBondContact O-N 3.46Å |
| 1482 | V | 86 | Confident | 88.1 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | trans | -103.4 | 126.5 | -177.3 | 179 | 0 | 0 | 0 | 0 | 110.7 | F1416 R1478 P1479 I1480 L1486 W1487 M1490 | F1416-V1482 HydrophobicContact CB-CG2 3.56Å; F1416-V1482 HydrophobicContact CD1-CG2 3.63Å; F1416-V1482 HydrophobicContact CD2-CG2 3.64Å; F1416-V1482 HydrophobicContact CE1-CG2 4.13Å; F1416-V1482 HydrophobicContact CE2-CG2 4.17Å; F1416-V1482 HydrophobicContact CG-CG2 3.34Å; F1416-V1482 HydrophobicContact CZ-CG2 4.39Å; R1478-V1482 PolarHBondContact NE-O 2.77Å; R1478-V1482 PolarHBondContact NH2-O 3.48Å; P1479-V1482 HydrophobicContact CB-CG2 3.94Å; P1479-V1482 HydrophobicContact CG-CG2 3.82Å; P1479-V1482 WeakPolarHBondContact O-CB 3.5Å; P1479-V1482 PolarHBondContact O-N 3.36Å; I1480-V1482 VanDerWaalsContact C-N 3.32Å; I1480-V1482 PolarHBondContact O-N 3.47Å; V1482-L1486 HydrophobicContact CG1-CB 3.93Å; V1482-L1486 HydrophobicContact CG1-CD2 4.28Å; V1482-L1486 HydrophobicContact CG1-CG 4.04Å; V1482-W1487 HydrophobicContact CG1-CB 3.93Å; V1482-M1490 HydrophobicContact CG1-SD 4.16Å; V1482-M1490 HydrophobicContact CG2-SD 4.42Å | ||
| 1483 | N | 86.2 | Confident | 88.5 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | trans | -76.3 | 160.5 | 174.2 | 76.1 | -32.4 | 0 | 0 | 0 | 112.6 | Y1300 E1485 L1486 W1487 L1514 | Y1300-N1483 PolarHBondContact OH-OD1 3.33Å; N1483-E1485 VanDerWaalsContact C-N 3.3Å; N1483-E1485 PolarHBondContact O-N 2.79Å; N1483-L1486 PolarHBondContact O-N 2.91Å; N1483-L1486 VanDerWaalsContact O-N 3.16Å; N1483-L1486 WeakPolarHBondContact OD1-CB 3.39Å; N1483-L1486 PolarHBondContact OD1-N 3.3Å; N1483-W1487 PolarHBondContact O-N 3.12Å; N1483-L1514 WeakPolarHBondContact ND2-CD2 3.33Å | ||
| 1484 | D | 86.1 | Confident | 88.9 | Confident | 88 Ų | 88 | 44.1 Ų | 44.1 | 47% | 0.471 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -52.6 | -46.1 | -174 | -75.3 | 42.9 | 0 | 0 | 0 | 112.6 | R1478 L1486 W1487 E1488 | R1478-D1484 IonicContact CZ-OD1 3.69Å; R1478-D1484 IonicContact NH1-OD1 3.5Å; R1478-D1484 PolarHBondContact NH1-OD1 3.49Å; R1478-D1484 IonicContact NH1-OD2 2.71Å; R1478-D1484 VanDerWaalsContact NH2-N 3.19Å; R1478-D1484 IonicContact NH2-OD1 3.84Å; R1478-D1484 PolarHBondContact NH2-OD1 3.12Å; D1484-L1486 PolarHBondContact O-N 3.45Å; D1484-W1487 PolarHBondContact O-N 3.31Å; D1484-E1488 WeakPolarHBondContact O-CG 3.26Å; D1484-E1488 PolarHBondContact O-N 3.26Å |
| 1485 | E | 86.9 | Confident | 89.5 | Confident | 87 Ų | 87 | 40 Ų | 40 | 41% | 0.407 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.8 | -38.1 | -177.4 | -54.9 | -162.8 | 110.7 | 0 | 0 | 113.7 | N1483 M1489 K1510 L1514 | N1483-E1485 VanDerWaalsContact C-N 3.3Å; N1483-E1485 PolarHBondContact O-N 2.79Å; E1485-M1489 WeakPolarHBondContact O-CB 3.45Å; E1485-M1489 PolarHBondContact O-N 3.33Å; E1485-K1510 IonicContact OE1-NZ 3.49Å; E1485-K1510 PolarHBondContact OE1-NZ 3.33Å; E1485-K1510 WeakPolarHBondContact OE2-CE 3.43Å; E1485-K1510 IonicContact OE2-NZ 3.52Å; E1485-K1510 PolarHBondContact OE2-NZ 3.08Å; E1485-L1514 WeakPolarHBondContact OE2-CD2 3.44Å |
| 1486 | L | 91 | Very high | 89.9 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -76.6 | -31.8 | 176.6 | -177.4 | 58.3 | 0 | 0 | 0 | 111.1 | Y1300 L1412 F1416 V1482 N1483 D1484 M1489 M1490 L1511 L1514 | Y1300-L1486 HydrophobicContact CE1-CD2 3.68Å; L1412-L1486 HydrophobicContact CD1-CD1 4.25Å; F1416-L1486 HydrophobicContact CE2-CD2 3.63Å; F1416-L1486 HydrophobicContact CZ-CD2 3.61Å; V1482-L1486 HydrophobicContact CG1-CB 3.93Å; V1482-L1486 HydrophobicContact CG1-CD2 4.28Å; V1482-L1486 HydrophobicContact CG1-CG 4.04Å; N1483-L1486 PolarHBondContact O-N 2.91Å; N1483-L1486 VanDerWaalsContact O-N 3.16Å; N1483-L1486 WeakPolarHBondContact OD1-CB 3.39Å; N1483-L1486 PolarHBondContact OD1-N 3.3Å; D1484-L1486 PolarHBondContact O-N 3.45Å; L1486-M1489 PolarHBondContact O-N 3.21Å; L1486-M1490 HydrophobicContact CG-SD 4.28Å; L1486-M1490 WeakPolarHBondContact O-CB 3.43Å; L1486-M1490 VanDerWaalsContact O-CG 3.29Å; L1486-M1490 WeakPolarHBondContact O-CG 3Å; L1486-M1490 PolarHBondContact O-N 3.07Å; L1486-L1511 HydrophobicContact CD1-CD2 3.94Å; L1486-L1511 HydrophobicContact CD1-CG 4.46Å; L1486-L1511 HydrophobicContact CD2-CD2 4.09Å; L1486-L1514 HydrophobicContact CB-CD1 3.99Å |
| 1487 | W | 93.6 | Very high | 89.9 | Confident | 33 Ų | 33 | 43.9 Ų | 43.9 | 13% | 0.125 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.6 | -45.2 | 175.1 | -177.7 | -116.1 | 0 | 0 | 0 | 112.4 | P1472 D1477 R1478 V1482 N1483 D1484 M1489 M1490 C1491 W1494 | P1472-W1487 HydrophobicContact CB-CH2 4.33Å; P1472-W1487 HydrophobicContact CB-CZ2 4.14Å; P1472-W1487 HydrophobicContact CG-CZ2 3.94Å; D1477-W1487 VanDerWaalsContact C-CH2 3.48Å; D1477-W1487 WeakPolarHBondContact O-CH2 3.31Å; R1478-W1487 HydrophobicContact CB-CD2 3.83Å; R1478-W1487 HydrophobicContact CB-CE3 4.14Å; R1478-W1487 HydrophobicContact CB-CG 4.36Å; R1478-W1487 HydrophobicContact CB-CH2 4.15Å; R1478-W1487 HydrophobicContact CB-CZ2 3.81Å; R1478-W1487 HydrophobicContact CB-CZ3 4.31Å; R1478-W1487 HydrophobicContact CG-CB 4.41Å; R1478-W1487 HydrophobicContact CG-CD2 3.71Å; R1478-W1487 HydrophobicContact CG-CE3 4.03Å; R1478-W1487 HydrophobicContact CG-CG 3.88Å; V1482-W1487 HydrophobicContact CG1-CB 3.93Å; N1483-W1487 PolarHBondContact O-N 3.12Å; D1484-W1487 PolarHBondContact O-N 3.31Å; W1487-M1489 VanDerWaalsContact C-N 3.31Å; W1487-M1489 PolarHBondContact O-N 2.99Å; W1487-M1490 HydrophobicContact CE3-CB 4.41Å; W1487-M1490 HydrophobicContact CE3-CE 4.35Å; W1487-M1490 HydrophobicContact CE3-SD 4.39Å; W1487-M1490 HydrophobicContact CZ3-CE 4.16Å; W1487-M1490 PolarHBondContact O-N 3.2Å; W1487-C1491 PolarHBondContact O-N 2.72Å; W1487-C1491 PolarHBondContact O-SG 2.65Å; W1487-W1494 HydrophobicContact CH2-CH2 4.31Å; W1487-W1494 AromaticContact CH2-CZ3 3.87Å; W1487-W1494 HydrophobicContact CH2-CZ3 3.87Å; W1487-W1494 AromaticContact CZ3-CH2 4Å; W1487-W1494 HydrophobicContact CZ3-CH2 4Å; W1487-W1494 AromaticContact CZ3-CZ3 3.86Å; W1487-W1494 HydrophobicContact CZ3-CZ3 3.86Å |
| 1488 | E | 90.6 | Very high | 89.9 | Confident | 46 Ų | 46 | 41.3 Ų | 41.3 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | 173.5 | -64.3 | -75.7 | -178.2 | 0 | 0 | 110.9 | R1469 D1484 C1491 Q1492 | R1469-E1488 IonicContact CZ-OE1 2.84Å; R1469-E1488 IonicContact NE-OE1 3.37Å; R1469-E1488 PolarHBondContact NE-OE1 3.03Å; R1469-E1488 IonicContact NH2-OE1 2.68Å; R1469-E1488 PolarHBondContact NH2-OE1 2.83Å; D1484-E1488 WeakPolarHBondContact O-CG 3.26Å; D1484-E1488 PolarHBondContact O-N 3.26Å; E1488-C1491 PolarHBondContact O-N 3Å; E1488-Q1492 WeakPolarHBondContact O-CG 3.44Å; E1488-Q1492 PolarHBondContact O-N 2.74Å |
| 1489 | M | 92.8 | Very high | 89.7 | Confident | 27 Ų | 27 | 42.1 Ų | 42.1 | 13% | 0.133 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 174.4 | -174.3 | 68.8 | 75.6 | 0 | 0 | 111.9 | E1485 L1486 W1487 Q1492 M1493 P1502 I1507 K1510 | E1485-M1489 WeakPolarHBondContact O-CB 3.45Å; E1485-M1489 PolarHBondContact O-N 3.33Å; L1486-M1489 PolarHBondContact O-N 3.21Å; W1487-M1489 VanDerWaalsContact C-N 3.31Å; W1487-M1489 PolarHBondContact O-N 2.99Å; M1489-Q1492 WeakPolarHBondContact O-CB 3.37Å; M1489-Q1492 PolarHBondContact O-N 2.77Å; M1489-M1493 HydrophobicContact CG-CE 3.69Å; M1489-M1493 WeakPolarHBondContact O-CG 3.43Å; M1489-M1493 PolarHBondContact O-N 2.75Å; M1489-P1502 HydrophobicContact SD-CB 3.83Å; M1489-P1502 HydrophobicContact SD-CG 3.71Å; M1489-I1507 HydrophobicContact SD-CG1 4.18Å; M1489-K1510 HydrophobicContact CE-CB 3.76Å; M1489-K1510 HydrophobicContact CE-CG 3.86Å |
| 1490 | M | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 175.3 | -74.4 | 172 | 63.8 | 0 | 0 | 112 | L1412 W1413 V1482 L1486 W1487 Q1492 M1493 W1494 | L1412-M1490 HydrophobicContact CB-CE 3.89Å; L1412-M1490 HydrophobicContact CB-CG 4.47Å; L1412-M1490 HydrophobicContact CB-SD 3.99Å; L1412-M1490 HydrophobicContact CD1-CG 3.97Å; L1412-M1490 HydrophobicContact CD1-SD 4.22Å; W1413-M1490 HydrophobicContact CB-CE 3.91Å; V1482-M1490 HydrophobicContact CG1-SD 4.16Å; V1482-M1490 HydrophobicContact CG2-SD 4.42Å; L1486-M1490 HydrophobicContact CG-SD 4.28Å; L1486-M1490 WeakPolarHBondContact O-CB 3.43Å; L1486-M1490 VanDerWaalsContact O-CG 3.29Å; L1486-M1490 WeakPolarHBondContact O-CG 3Å; L1486-M1490 PolarHBondContact O-N 3.07Å; W1487-M1490 HydrophobicContact CE3-CB 4.41Å; W1487-M1490 HydrophobicContact CE3-CE 4.35Å; W1487-M1490 HydrophobicContact CE3-SD 4.39Å; W1487-M1490 HydrophobicContact CZ3-CE 4.16Å; W1487-M1490 PolarHBondContact O-N 3.2Å; M1490-Q1492 VanDerWaalsContact C-N 3.31Å; M1490-Q1492 PolarHBondContact O-N 3.12Å; M1490-M1493 HydrophobicContact CG-CE 4.29Å; M1490-M1493 WeakPolarHBondContact O-CB 3.44Å; M1490-M1493 PolarHBondContact O-N 2.96Å; M1490-M1493 VanDerWaalsContact O-N 3.17Å; M1490-W1494 HydrophobicContact CB-CH2 4.36Å; M1490-W1494 HydrophobicContact CB-CZ3 4.34Å; M1490-W1494 HydrophobicContact CE-CH2 3.77Å; M1490-W1494 HydrophobicContact CE-CZ2 4.14Å; M1490-W1494 PolarHBondContact O-N 3.24Å |
| 1491 | C | 93.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -41.8 | 173.1 | -65.9 | 0 | 0 | 0 | 0 | 111.5 | L1470 W1487 E1488 W1494 | L1470-C1491 WeakPolarHBondContact O-CB 3.34Å; W1487-C1491 PolarHBondContact O-N 2.72Å; W1487-C1491 PolarHBondContact O-SG 2.65Å; E1488-C1491 PolarHBondContact O-N 3Å; C1491-W1494 CarbonylContact O-C 3.5Å; C1491-W1494 PolarHBondContact O-N 2.95Å; C1491-W1494 VanDerWaalsContact O-N 3.12Å |
| 1492 | Q | 92.6 | Very high | 90.7 | Very high | 84 Ų | 84 | 40.3 Ų | 40.3 | 39% | 0.393 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.3 | -35.4 | 175.1 | -64.5 | 169.6 | 17.6 | 0 | 0 | 113 | E1488 M1489 M1490 W1494 S1495 P1502 | E1488-Q1492 WeakPolarHBondContact O-CG 3.44Å; E1488-Q1492 PolarHBondContact O-N 2.74Å; M1489-Q1492 WeakPolarHBondContact O-CB 3.37Å; M1489-Q1492 PolarHBondContact O-N 2.77Å; M1490-Q1492 VanDerWaalsContact C-N 3.31Å; M1490-Q1492 PolarHBondContact O-N 3.12Å; Q1492-W1494 PolarHBondContact O-N 3.07Å; Q1492-S1495 WeakPolarHBondContact O-CB 3.44Å; Q1492-S1495 PolarHBondContact O-N 2.93Å; Q1492-S1495 VanDerWaalsContact O-N 3.12Å; Q1492-P1502 VanDerWaalsContact C-CD 3.5Å; Q1492-P1502 HydrophobicContact CB-CG 4.15Å; Q1492-P1502 WeakPolarHBondContact O-CD 3.41Å |
| 1493 | M | 95.5 | Very high | 91 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60 | -30.9 | 171.6 | -62.4 | 178.6 | -149.1 | 0 | 0 | 112.3 | I1405 Y1408 G1409 L1412 M1489 M1490 S1495 R1501 P1502 I1507 | I1405-M1493 HydrophobicContact CG2-CB 3.96Å; I1405-M1493 HydrophobicContact CG2-CG 3.77Å; Y1408-M1493 HydrophobicContact CD1-CE 4.22Å; Y1408-M1493 HydrophobicContact CD1-SD 3.74Å; Y1408-M1493 HydrophobicContact CE1-CE 4.19Å; Y1408-M1493 HydrophobicContact CE1-SD 4.29Å; G1409-M1493 VanDerWaalsContact CA-SD 3.57Å; L1412-M1493 HydrophobicContact CD1-CE 3.95Å; L1412-M1493 HydrophobicContact CD1-SD 4.43Å; M1489-M1493 HydrophobicContact CG-CE 3.69Å; M1489-M1493 WeakPolarHBondContact O-CG 3.43Å; M1489-M1493 PolarHBondContact O-N 2.75Å; M1490-M1493 HydrophobicContact CG-CE 4.29Å; M1490-M1493 WeakPolarHBondContact O-CB 3.44Å; M1490-M1493 PolarHBondContact O-N 2.96Å; M1490-M1493 VanDerWaalsContact O-N 3.17Å; M1493-S1495 VanDerWaalsContact C-N 3.32Å; M1493-S1495 PolarHBondContact O-N 3.37Å; M1493-R1501 VanDerWaalsContact O-CD 3.24Å; M1493-R1501 WeakPolarHBondContact O-CD 3.34Å; M1493-R1501 WeakPolarHBondContact O-CG 3.25Å; M1493-P1502 HydrophobicContact CG-CG 4.01Å; M1493-I1507 HydrophobicContact CE-CD1 4.1Å; M1493-I1507 HydrophobicContact CE-CG1 4.09Å; M1493-I1507 HydrophobicContact CE-CG2 3.67Å; M1493-I1507 HydrophobicContact CG-CD1 4.11Å; M1493-I1507 HydrophobicContact SD-CD1 4.22Å |
| 1494 | W | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 22.1 | 175.7 | -57.2 | -42.3 | 0 | 0 | 0 | 114.3 | W1406 G1409 L1410 W1413 H1440 P1472 P1473 L1476 W1487 M1490 C1491 Q1492 Y1496 | W1406-W1494 HydrophobicContact CE3-CB 4.26Å; W1406-W1494 HydrophobicContact CH2-CB 4.31Å; W1406-W1494 HydrophobicContact CZ3-CB 3.98Å; W1406-W1494 WeakPolarHBondContact CZ3-O 3.28Å; G1409-W1494 VanDerWaalsContact O-CZ2 3.29Å; G1409-W1494 WeakPolarHBondContact O-CZ2 3.26Å; L1410-W1494 HydrophobicContact CD2-CZ2 4.05Å; W1413-W1494 HydrophobicContact CB-CH2 4.16Å; W1413-W1494 HydrophobicContact CB-CZ2 4.04Å; W1413-W1494 AromaticContact CD1-CH2 3.9Å; W1413-W1494 HydrophobicContact CG-CH2 4.29Å; H1440-W1494 PolarHBondContact CE1-O 3.31Å; P1472-W1494 HydrophobicContact CB-CE3 4.03Å; P1472-W1494 HydrophobicContact CB-CZ3 4.06Å; P1473-W1494 HydrophobicContact CG-CB 4.26Å; L1476-W1494 HydrophobicContact CB-CH2 4.29Å; L1476-W1494 HydrophobicContact CB-CZ3 4.29Å; L1476-W1494 HydrophobicContact CD1-CD2 4.1Å; L1476-W1494 HydrophobicContact CD1-CE3 4.22Å; L1476-W1494 HydrophobicContact CD1-CH2 3.89Å; L1476-W1494 HydrophobicContact CD1-CZ2 3.75Å; L1476-W1494 HydrophobicContact CD1-CZ3 4.13Å; W1487-W1494 HydrophobicContact CH2-CH2 4.31Å; W1487-W1494 AromaticContact CH2-CZ3 3.87Å; W1487-W1494 HydrophobicContact CH2-CZ3 3.87Å; W1487-W1494 AromaticContact CZ3-CH2 4Å; W1487-W1494 HydrophobicContact CZ3-CH2 4Å; W1487-W1494 AromaticContact CZ3-CZ3 3.86Å; W1487-W1494 HydrophobicContact CZ3-CZ3 3.86Å; M1490-W1494 HydrophobicContact CB-CH2 4.36Å; M1490-W1494 HydrophobicContact CB-CZ3 4.34Å; M1490-W1494 HydrophobicContact CE-CH2 3.77Å; M1490-W1494 HydrophobicContact CE-CZ2 4.14Å; M1490-W1494 PolarHBondContact O-N 3.24Å; C1491-W1494 CarbonylContact O-C 3.5Å; C1491-W1494 PolarHBondContact O-N 2.95Å; C1491-W1494 VanDerWaalsContact O-N 3.12Å; Q1492-W1494 PolarHBondContact O-N 3.07Å; W1494-Y1496 PolarHBondContact O-N 3.37Å |
| 1495 | S | 91.7 | Very high | 91.5 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | trans | -60.5 | 131.2 | 171.2 | -170.7 | 0 | 0 | 0 | 0 | 111.5 | Q1492 M1493 N1497 K1500 R1501 | Q1492-S1495 WeakPolarHBondContact O-CB 3.44Å; Q1492-S1495 PolarHBondContact O-N 2.93Å; Q1492-S1495 VanDerWaalsContact O-N 3.12Å; M1493-S1495 VanDerWaalsContact C-N 3.32Å; M1493-S1495 PolarHBondContact O-N 3.37Å; S1495-N1497 PolarHBondContact O-N 2.96Å; S1495-N1497 PolarHBondContact OG-O 3.03Å; S1495-K1500 WeakPolarHBondContact OG-CB 3.38Å; S1495-R1501 PolarHBondContact O-NE 3.06Å; S1495-R1501 PolarHBondContact O-NH2 3.06Å | ||
| 1496 | Y | 89.6 | Confident | 91.8 | Very high | 59 Ų | 59 | 40.7 Ų | 40.7 | 23% | 0.231 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -61.2 | -34.4 | 178.7 | -174.2 | -87.6 | 0 | 0 | 0 | 112 | P1391 L1437 N1441 W1494 | P1391-Y1496 HydrophobicContact CB-CD2 3.86Å; P1391-Y1496 HydrophobicContact CB-CE2 3.56Å; P1391-Y1496 HydrophobicContact CG-CD2 3.66Å; P1391-Y1496 HydrophobicContact CG-CE2 3.84Å; P1391-Y1496 HydrophobicContact CG-CG 4.43Å; L1437-Y1496 VanDerWaalsContact O-CD2 3.25Å; L1437-Y1496 WeakPolarHBondContact O-CD2 3.4Å; L1437-Y1496 WeakPolarHBondContact O-CE2 3.24Å; N1441-Y1496 HydrophobicContact CB-CD1 3.96Å; N1441-Y1496 HydrophobicContact CB-CD2 3.68Å; N1441-Y1496 HydrophobicContact CB-CE1 4.3Å; N1441-Y1496 HydrophobicContact CB-CE2 4.03Å; N1441-Y1496 HydrophobicContact CB-CG 3.64Å; N1441-Y1496 VanDerWaalsContact CG-CD1 3.46Å; N1441-Y1496 WeakPolarHBondContact ND2-CE1 3.48Å; W1494-Y1496 PolarHBondContact O-N 3.37Å |
| 1497 | N | 88.2 | Confident | 92 | Very high | 69 Ų | 69 | 40.6 Ų | 40.6 | 37% | 0.369 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -84.6 | 118.5 | 172.6 | -179.6 | -27.5 | 0 | 0 | 0 | 109.7 | S1495 H1499 K1500 | S1495-N1497 PolarHBondContact O-N 2.96Å; S1495-N1497 PolarHBondContact OG-O 3.03Å; N1497-H1499 PolarHBondContact O-N 3.12Å; N1497-H1499 WeakPolarHBondContact OD1-CB 3.4Å; N1497-H1499 PolarHBondContact OD1-CD2 2.91Å; N1497-H1499 PolarHBondContact OD1-N 3.36Å; N1497-K1500 HydrophobicContact CB-CB 4.27Å; N1497-K1500 HydrophobicContact CB-CD 4.35Å; N1497-K1500 HydrophobicContact CB-CG 4.2Å; N1497-K1500 PolarHBondContact O-N 3.42Å |
| 1498 | P | 89.8 | Confident | 92.1 | Very high | 15 Ų | 15 | 40.8 Ų | 40.8 | 10% | 0.097 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -63.4 | -23.4 | -177.3 | 24.8 | -33.4 | 0 | 0 | 0 | 114.1 | E1392 Y1400 S1402 K1500 | E1392-P1498 HydrophobicContact CG-CG 4.33Å; Y1400-P1498 HydrophobicContact CD2-CB 4.18Å; Y1400-P1498 HydrophobicContact CD2-CG 4.13Å; Y1400-P1498 HydrophobicContact CE2-CG 3.98Å; Y1400-P1498 HydrophobicContact CG-CB 4.36Å; S1402-P1498 WeakPolarHBondContact CB-O 3.41Å; S1402-P1498 WeakPolarHBondContact OG-CB 3.21Å; S1402-P1498 PolarHBondContact OG-O 3.46Å; P1498-K1500 VanDerWaalsContact C-N 3.33Å |
| 1499 | H | 87 | Confident | 92.2 | Very high | 113 Ų | 113 | 43 Ų | 43 | 52% | 0.523 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -81.8 | -11 | 177.3 | -52 | -102.4 | 0 | 0 | 0 | 112.8 | E1373 Y1400 N1497 | E1373-H1499 IonicContact OE2-CE1 2.73Å; E1373-H1499 PolarHBondContact OE2-CE1 2.91Å; Y1400-H1499 AromaticContact CE1-CE1 3.82Å; Y1400-H1499 AromaticContact CE1-NE2 3.69Å; N1497-H1499 PolarHBondContact O-N 3.12Å; N1497-H1499 WeakPolarHBondContact OD1-CB 3.4Å; N1497-H1499 PolarHBondContact OD1-CD2 2.91Å; N1497-H1499 PolarHBondContact OD1-N 3.36Å |
| 1500 | K | 88.8 | Confident | 92.1 | Very high | 134 Ų | 134 | 43.8 Ų | 43.8 | 58% | 0.583 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -95.7 | 2 | 174.3 | -73.5 | -168.4 | 176 | -171.5 | 0 | 113.5 | S1495 N1497 P1498 | S1495-K1500 WeakPolarHBondContact OG-CB 3.38Å; N1497-K1500 HydrophobicContact CB-CB 4.27Å; N1497-K1500 HydrophobicContact CB-CD 4.35Å; N1497-K1500 HydrophobicContact CB-CG 4.2Å; N1497-K1500 PolarHBondContact O-N 3.42Å; P1498-K1500 VanDerWaalsContact C-N 3.33Å |
| 1501 | R | 93.2 | Very high | 92 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 5% | 0.053 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -82.8 | 144.5 | 176.1 | -61.6 | 176.5 | -168.6 | 145.2 | 13.9 | 109.8 | E1392 S1402 I1405 M1493 S1495 | E1392-R1501 IonicContact OE1-CZ 3.73Å; E1392-R1501 IonicContact OE1-NH1 3.52Å; E1392-R1501 PolarHBondContact OE1-NH1 3.38Å; E1392-R1501 IonicContact OE1-NH2 2.79Å; E1392-R1501 IonicContact OE2-CZ 2.74Å; E1392-R1501 IonicContact OE2-NH1 3.19Å; E1392-R1501 PolarHBondContact OE2-NH1 3.35Å; E1392-R1501 IonicContact OE2-NH2 2.77Å; E1392-R1501 PolarHBondContact OE2-NH2 2.9Å; S1402-R1501 VanDerWaalsContact O-CD 3.22Å; S1402-R1501 WeakPolarHBondContact O-CD 3.49Å; S1402-R1501 PolarHBondContact O-NH1 3.23Å; I1405-R1501 HydrophobicContact CG2-CB 4.38Å; M1493-R1501 VanDerWaalsContact O-CD 3.24Å; M1493-R1501 WeakPolarHBondContact O-CD 3.34Å; M1493-R1501 WeakPolarHBondContact O-CG 3.25Å; S1495-R1501 PolarHBondContact O-NE 3.06Å; S1495-R1501 PolarHBondContact O-NH2 3.06Å |
| 1502 | P | 93.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 7% | 0.071 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 147 | 177.4 | 25.7 | -31.6 | 0 | 0 | 0 | 111 | M1489 Q1492 M1493 I1507 | M1489-P1502 HydrophobicContact SD-CB 3.83Å; M1489-P1502 HydrophobicContact SD-CG 3.71Å; Q1492-P1502 VanDerWaalsContact C-CD 3.5Å; Q1492-P1502 HydrophobicContact CB-CG 4.15Å; Q1492-P1502 WeakPolarHBondContact O-CD 3.41Å; M1493-P1502 HydrophobicContact CG-CG 4.01Å; P1502-I1507 HydrophobicContact CB-CD1 4.38Å; P1502-I1507 HydrophobicContact CB-CG1 4.02Å; P1502-I1507 HydrophobicContact CG-CD1 4.04Å; P1502-I1507 HydrophobicContact CG-CG1 3.96Å |
| 1503 | T | 91.6 | Very high | 91.6 | Very high | 76 Ų | 76 | 50.5 Ų | 50.5 | 47% | 0.466 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -71.5 | 156.3 | 177.3 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | A1505 Q1506 I1507 | T1503-A1505 PolarHBondContact O-N 3.23Å; T1503-A1505 VanDerWaalsContact O-N 3.14Å; T1503-Q1506 PolarHBondContact O-N 2.82Å; T1503-Q1506 VanDerWaalsContact O-N 3.11Å; T1503-Q1506 WeakPolarHBondContact OG1-CG 3.42Å; T1503-Q1506 PolarHBondContact OG1-N 3.27Å; T1503-Q1506 PolarHBondContact OG1-OE1 2.84Å; T1503-I1507 WeakPolarHBondContact O-CG1 3.5Å; T1503-I1507 PolarHBondContact O-N 2.68Å; T1503-I1507 VanDerWaalsContact O-N 3.16Å |
| 1504 | A | 92.6 | Very high | 91.2 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.2 | -35.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1307 I1310 V1311 V1314 I1405 H1508 | I1307-A1504 HydrophobicContact CD1-CB 4.21Å; I1307-A1504 WeakPolarHBondContact CG1-O 3.34Å; I1310-A1504 HydrophobicContact CG2-CB 4.1Å; V1311-A1504 HydrophobicContact CB-CB 4.49Å; V1311-A1504 HydrophobicContact CG2-CB 3.6Å; V1311-A1504 WeakPolarHBondContact CG2-O 3.43Å; V1314-A1504 HydrophobicContact CG2-CB 4.44Å; I1405-A1504 HydrophobicContact CD1-CB 4.05Å; A1504-H1508 VanDerWaalsContact O-CB 3.26Å; A1504-H1508 WeakPolarHBondContact O-CB 3.34Å; A1504-H1508 PolarHBondContact O-N 3.04Å |
| 1505 | A | 91 | Very high | 90.7 | Very high | 46 Ų | 46 | 52.8 Ų | 52.8 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.2 | -46.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1503 I1507 H1508 D1509 | T1503-A1505 PolarHBondContact O-N 3.23Å; T1503-A1505 VanDerWaalsContact O-N 3.14Å; A1505-I1507 VanDerWaalsContact C-N 3.27Å; A1505-I1507 PolarHBondContact O-N 3.5Å; A1505-H1508 WeakPolarHBondContact O-CB 3.34Å; A1505-H1508 PolarHBondContact O-N 3.2Å; A1505-D1509 VanDerWaalsContact O-CG 3.28Å; A1505-D1509 PolarHBondContact O-N 2.92Å |
| 1506 | Q | 93.3 | Very high | 90 | Very high | 107 Ų | 107 | 57.7 Ų | 57.7 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61 | -37.2 | 177.6 | -72.2 | 162.2 | -52.2 | 0 | 0 | 112.3 | T1503 K1510 | T1503-Q1506 PolarHBondContact O-N 2.82Å; T1503-Q1506 VanDerWaalsContact O-N 3.11Å; T1503-Q1506 WeakPolarHBondContact OG1-CG 3.42Å; T1503-Q1506 PolarHBondContact OG1-N 3.27Å; T1503-Q1506 PolarHBondContact OG1-OE1 2.84Å; Q1506-K1510 WeakPolarHBondContact O-CB 3.22Å; Q1506-K1510 PolarHBondContact O-N 2.88Å; Q1506-K1510 VanDerWaalsContact O-N 3.08Å |
| 1507 | I | 95.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.7 | -43.7 | 176.7 | -57.9 | 163.1 | 0 | 0 | 0 | 110.7 | I1307 I1405 Y1408 M1489 M1493 P1502 T1503 A1505 K1510 L1511 | I1307-I1507 HydrophobicContact CD1-CB 4.02Å; I1307-I1507 HydrophobicContact CD1-CD1 4.28Å; I1307-I1507 HydrophobicContact CD1-CG2 3.91Å; I1307-I1507 HydrophobicContact CG1-CB 4.03Å; I1307-I1507 HydrophobicContact CG1-CG2 3.9Å; I1405-I1507 HydrophobicContact CD1-CD1 3.83Å; I1405-I1507 HydrophobicContact CG1-CD1 4.4Å; I1405-I1507 HydrophobicContact CG2-CD1 3.64Å; Y1408-I1507 HydrophobicContact CD1-CG2 4.3Å; Y1408-I1507 HydrophobicContact CE1-CG2 3.68Å; M1489-I1507 HydrophobicContact SD-CG1 4.18Å; M1493-I1507 HydrophobicContact CE-CD1 4.1Å; M1493-I1507 HydrophobicContact CE-CG1 4.09Å; M1493-I1507 HydrophobicContact CE-CG2 3.67Å; M1493-I1507 HydrophobicContact CG-CD1 4.11Å; M1493-I1507 HydrophobicContact SD-CD1 4.22Å; P1502-I1507 HydrophobicContact CB-CD1 4.38Å; P1502-I1507 HydrophobicContact CB-CG1 4.02Å; P1502-I1507 HydrophobicContact CG-CD1 4.04Å; P1502-I1507 HydrophobicContact CG-CG1 3.96Å; T1503-I1507 WeakPolarHBondContact O-CG1 3.5Å; T1503-I1507 PolarHBondContact O-N 2.68Å; T1503-I1507 VanDerWaalsContact O-N 3.16Å; A1505-I1507 VanDerWaalsContact C-N 3.27Å; A1505-I1507 PolarHBondContact O-N 3.5Å; I1507-K1510 PolarHBondContact O-N 2.89Å; I1507-L1511 HydrophobicContact CG2-CD1 4.07Å; I1507-L1511 WeakPolarHBondContact O-CB 3.28Å; I1507-L1511 PolarHBondContact O-N 3.36Å |
| 1508 | H | 95.2 | Very high | 86.5 | Confident | 37 Ų | 37 | 57.3 Ų | 57.3 | 17% | 0.171 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.1 | -49.7 | 174.3 | 168.7 | -85.9 | 0 | 0 | 0 | 111.6 | Y1304 I1307 S1308 V1311 A1504 A1505 L1511 K1512 | Y1304-H1508 AromaticContact CE2-CD2 3.61Å; Y1304-H1508 AromaticContact CE2-CE1 4Å; Y1304-H1508 AromaticContact CE2-NE2 3.49Å; Y1304-H1508 WeakPolarHBondContact CE2-NE2 3.46Å; Y1304-H1508 AromaticContact CZ-NE2 3.68Å; Y1304-H1508 PolarHBondContact OH-NE2 3.37Å; I1307-H1508 HydrophobicContact CG1-CB 4.12Å; I1307-H1508 HydrophobicContact CG2-CB 4.07Å; S1308-H1508 PolarHBondContact OG-CD2 3.2Å; S1308-H1508 VanDerWaalsContact OG-CD2 3.31Å; S1308-H1508 PolarHBondContact OG-NE2 3.12Å; V1311-H1508 HydrophobicContact CG2-CB 4.08Å; A1504-H1508 VanDerWaalsContact O-CB 3.26Å; A1504-H1508 WeakPolarHBondContact O-CB 3.34Å; A1504-H1508 PolarHBondContact O-N 3.04Å; A1505-H1508 WeakPolarHBondContact O-CB 3.34Å; A1505-H1508 PolarHBondContact O-N 3.2Å; H1508-L1511 PolarHBondContact O-N 3.23Å; H1508-K1512 WeakPolarHBondContact O-CB 3.37Å; H1508-K1512 PolarHBondContact O-N 3.39Å |
| 1509 | D | 91.3 | Very high | 84 | Confident | 91 Ų | 91 | 64.7 Ų | 64.7 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.6 | -34.6 | -176.4 | -63.7 | -17.8 | 0 | 0 | 0 | 111.7 | A1505 K1512 Y1513 | A1505-D1509 VanDerWaalsContact O-CG 3.28Å; A1505-D1509 PolarHBondContact O-N 2.92Å; D1509-K1512 PolarHBondContact O-N 2.97Å; D1509-Y1513 WeakPolarHBondContact O-CB 3.38Å; D1509-Y1513 PolarHBondContact O-N 3.49Å |
| 1510 | K | 91.2 | Very high | 81.3 | Confident | 45 Ų | 45 | 67.8 Ų | 67.8 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -68.5 | -41.1 | 172.6 | -170.9 | 64.5 | -176.2 | 175.7 | 0 | 112.3 | E1485 M1489 Q1506 I1507 Y1513 L1514 | E1485-K1510 IonicContact OE1-NZ 3.49Å; E1485-K1510 PolarHBondContact OE1-NZ 3.33Å; E1485-K1510 WeakPolarHBondContact OE2-CE 3.43Å; E1485-K1510 IonicContact OE2-NZ 3.52Å; E1485-K1510 PolarHBondContact OE2-NZ 3.08Å; M1489-K1510 HydrophobicContact CE-CB 3.76Å; M1489-K1510 HydrophobicContact CE-CG 3.86Å; Q1506-K1510 WeakPolarHBondContact O-CB 3.22Å; Q1506-K1510 PolarHBondContact O-N 2.88Å; Q1506-K1510 VanDerWaalsContact O-N 3.08Å; I1507-K1510 PolarHBondContact O-N 2.89Å; K1510-Y1513 HydrophobicContact CD-CD1 4.47Å; K1510-Y1513 PolarHBondContact O-N 3.38Å; K1510-L1514 HydrophobicContact CG-CD1 4.31Å; K1510-L1514 WeakPolarHBondContact O-CB 3.45Å; K1510-L1514 VanDerWaalsContact O-CG 3.31Å; K1510-L1514 WeakPolarHBondContact O-CG 3.33Å; K1510-L1514 PolarHBondContact O-N 3.44Å |
| 1511 | L | 92.5 | Very high | 78.5 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.8 | -36.9 | 174.8 | -80.4 | 169 | 0 | 0 | 0 | 112 | Y1300 A1303 Y1304 I1307 Y1408 L1486 I1507 H1508 L1514 L1515 | Y1300-L1511 HydrophobicContact CD1-CD2 3.94Å; Y1300-L1511 HydrophobicContact CE1-CD2 4.22Å; A1303-L1511 HydrophobicContact CB-CD1 4.13Å; A1303-L1511 HydrophobicContact CB-CD2 4.28Å; Y1304-L1511 HydrophobicContact CD2-CB 4.29Å; I1307-L1511 HydrophobicContact CG2-CD1 3.94Å; Y1408-L1511 HydrophobicContact CE1-CD1 4.38Å; Y1408-L1511 WeakPolarHBondContact OH-CD1 3.21Å; L1486-L1511 HydrophobicContact CD1-CD2 3.94Å; L1486-L1511 HydrophobicContact CD1-CG 4.46Å; L1486-L1511 HydrophobicContact CD2-CD2 4.09Å; I1507-L1511 HydrophobicContact CG2-CD1 4.07Å; I1507-L1511 WeakPolarHBondContact O-CB 3.28Å; I1507-L1511 PolarHBondContact O-N 3.36Å; H1508-L1511 PolarHBondContact O-N 3.23Å; L1511-L1514 CarbonylContact O-C 3.56Å; L1511-L1514 PolarHBondContact O-N 3.46Å; L1511-L1515 WeakPolarHBondContact O-CD1 3.47Å; L1511-L1515 PolarHBondContact O-N 3.42Å |
| 1512 | K | 90.9 | Very high | 75.4 | Confident | 80 Ų | 80 | 78.1 Ų | 78.1 | 35% | 0.348 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.8 | -51.1 | 171.4 | -172.9 | -175.3 | 169.1 | -166.8 | 0 | 111.1 | Y1304 H1508 D1509 L1514 L1515 E1516 | Y1304-K1512 HydrophobicContact CD2-CB 4.35Å; Y1304-K1512 HydrophobicContact CE2-CB 3.74Å; Y1304-K1512 HydrophobicContact CE2-CG 4.26Å; H1508-K1512 WeakPolarHBondContact O-CB 3.37Å; H1508-K1512 PolarHBondContact O-N 3.39Å; D1509-K1512 PolarHBondContact O-N 2.97Å; K1512-L1514 VanDerWaalsContact C-N 3.31Å; K1512-L1514 PolarHBondContact O-N 2.97Å; K1512-L1515 PolarHBondContact O-N 2.76Å; K1512-L1515 VanDerWaalsContact O-N 3.1Å; K1512-E1516 WeakPolarHBondContact CE-OE1 3.45Å; K1512-E1516 WeakPolarHBondContact CE-OE2 3.43Å; K1512-E1516 HydrophobicContact CG-CG 4.4Å; K1512-E1516 IonicContact NZ-OE1 3.48Å; K1512-E1516 IonicContact NZ-OE2 2.77Å; K1512-E1516 WeakPolarHBondContact O-CB 3.38Å; K1512-E1516 WeakPolarHBondContact O-CG 3.49Å; K1512-E1516 PolarHBondContact O-N 3.39Å |
| 1513 | Y | 88.4 | Confident | 72.1 | Confident | 145 Ų | 145 | 83 Ų | 83 | 57% | 0.569 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -56.3 | -43.7 | 175.2 | 175.6 | -99.5 | 0 | 0 | 0 | 112 | D1509 K1510 L1515 E1516 G1517 | D1509-Y1513 WeakPolarHBondContact O-CB 3.38Å; D1509-Y1513 PolarHBondContact O-N 3.49Å; K1510-Y1513 HydrophobicContact CD-CD1 4.47Å; K1510-Y1513 PolarHBondContact O-N 3.38Å; Y1513-L1515 VanDerWaalsContact C-N 3.34Å; Y1513-L1515 PolarHBondContact O-N 3.01Å; Y1513-E1516 PolarHBondContact O-N 3.14Å; Y1513-G1517 PolarHBondContact O-N 2.81Å |
| 1514 | L | 85.5 | Confident | 69 | Low | 21 Ų | 21 | 85 Ų | 85 | 11% | 0.11 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -69.9 | -23.9 | 177.4 | -69.4 | 173.9 | 0 | 0 | 0 | 114 | Y1300 N1483 E1485 L1486 K1510 L1511 K1512 T1518 | Y1300-L1514 HydrophobicContact CD1-CB 4.15Å; Y1300-L1514 HydrophobicContact CE1-CB 3.85Å; Y1300-L1514 HydrophobicContact CE1-CD1 4.02Å; N1483-L1514 WeakPolarHBondContact ND2-CD2 3.33Å; E1485-L1514 WeakPolarHBondContact OE2-CD2 3.44Å; L1486-L1514 HydrophobicContact CB-CD1 3.99Å; K1510-L1514 HydrophobicContact CG-CD1 4.31Å; K1510-L1514 WeakPolarHBondContact O-CB 3.45Å; K1510-L1514 VanDerWaalsContact O-CG 3.31Å; K1510-L1514 WeakPolarHBondContact O-CG 3.33Å; K1510-L1514 PolarHBondContact O-N 3.44Å; L1511-L1514 CarbonylContact O-C 3.56Å; L1511-L1514 PolarHBondContact O-N 3.46Å; K1512-L1514 VanDerWaalsContact C-N 3.31Å; K1512-L1514 PolarHBondContact O-N 2.97Å; L1514-T1518 WeakPolarHBondContact O-CG2 3.48Å |
| 1515 | L | 83.8 | Confident | 65.8 | Low | 28 Ų | 28 | 92.1 Ų | 92.1 | 15% | 0.147 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -74.6 | -50.2 | 167 | -92.5 | 83.1 | 0 | 0 | 0 | 111.6 | R1301 Y1304 L1511 K1512 Y1513 T1518 | R1301-L1515 HydrophobicContact CG-CD2 4.08Å; Y1304-L1515 HydrophobicContact CG-CD1 4.16Å; L1511-L1515 WeakPolarHBondContact O-CD1 3.47Å; L1511-L1515 PolarHBondContact O-N 3.42Å; K1512-L1515 PolarHBondContact O-N 2.76Å; K1512-L1515 VanDerWaalsContact O-N 3.1Å; Y1513-L1515 VanDerWaalsContact C-N 3.34Å; Y1513-L1515 PolarHBondContact O-N 3.01Å; L1515-T1518 PolarHBondContact O-N 2.99Å; L1515-T1518 PolarHBondContact O-OG1 3.17Å |
| 1516 | E | 77 | Confident | 62.7 | Low | 110 Ų | 110 | 96.2 Ų | 96.2 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.9 | -38 | -169.6 | -70.4 | 177.6 | 165 | 0 | 0 | 112.1 | K1512 Y1513 T1518 K1519 | K1512-E1516 WeakPolarHBondContact CE-OE1 3.45Å; K1512-E1516 WeakPolarHBondContact CE-OE2 3.43Å; K1512-E1516 HydrophobicContact CG-CG 4.4Å; K1512-E1516 IonicContact NZ-OE1 3.48Å; K1512-E1516 IonicContact NZ-OE2 2.77Å; K1512-E1516 WeakPolarHBondContact O-CB 3.38Å; K1512-E1516 WeakPolarHBondContact O-CG 3.49Å; K1512-E1516 PolarHBondContact O-N 3.39Å; Y1513-E1516 PolarHBondContact O-N 3.14Å; E1516-T1518 PolarHBondContact O-N 3.26Å; E1516-T1518 VanDerWaalsContact O-N 3.09Å; E1516-K1519 PolarHBondContact O-N 2.93Å |
| 1517 | G | 56.8 | Low | 59.6 | Low | 40 Ų | 40 | 101 Ų | 101 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -65.6 | -5.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y1513 K1519 | Y1513-G1517 PolarHBondContact O-N 2.81Å; G1517-K1519 PolarHBondContact O-N 3.16Å; G1517-K1519 VanDerWaalsContact O-N 3.11Å |
| 1518 | T | 48.4 | Very low | 56.3 | Low | 81 Ų | 81 | 108.2 Ų | 108.2 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -75.7 | 14.3 | 173.1 | 63.5 | 0 | 0 | 0 | 0 | 114.2 | K1297 L1514 L1515 E1516 | K1297-T1518 PolarHBondContact NZ-OG1 2.96Å; L1514-T1518 WeakPolarHBondContact O-CG2 3.48Å; L1515-T1518 PolarHBondContact O-N 2.99Å; L1515-T1518 PolarHBondContact O-OG1 3.17Å; E1516-T1518 PolarHBondContact O-N 3.26Å; E1516-T1518 VanDerWaalsContact O-N 3.09Å |
| 1519 | K | 36.8 | Very low | 53.1 | Low | 170 Ų | 170 | 117.7 Ų | 117.7 | 74% | 0.739 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -100.7 | -15.4 | -174.8 | -80.3 | -174.2 | 169.3 | -173.4 | 0 | 115.9 | E1516 G1517 | E1516-K1519 PolarHBondContact O-N 2.93Å; G1517-K1519 PolarHBondContact O-N 3.16Å; G1517-K1519 VanDerWaalsContact O-N 3.11Å |
| 1520 | E | 31.1 | Very low | 50.1 | Low | 178 Ų | 178 | 119.8 Ų | 119.8 | 83% | 0.832 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -103.3 | 10.5 | -164.1 | -62.6 | -172.4 | 147.6 | 0 | 0 | 115.6 | ||
| 1521 | I | 30.7 | Very low | 47.2 | Very low | 155 Ų | 155 | 124 Ų | 124 | 80% | 0.795 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -126.1 | 36.3 | -179.2 | -34.9 | -177.1 | 0 | 0 | 0 | 112.8 | ||
| 1522 | F | 26.3 | Very low | 44.2 | Very low | 210 Ų | 210 | 133.4 Ų | 133.4 | 92% | 0.921 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -142.7 | 124.4 | 157.6 | -88.6 | -80 | 0 | 0 | 0 | 109 | ||
| 1523 | S | 25.2 | Very low | 41.3 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | trans | -87.1 | 132 | -163.8 | 53.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1524 | C | 24.9 | Very low | 38.5 | Very low | 118 Ų | 118 | 136 Ų | 136 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | trans | -159.3 | 109.7 | 153.2 | -101 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1525 | I | 27.3 | Very low | 35.8 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | trans | 55.1 | 138.4 | 140.6 | -53.7 | 175.5 | 0 | 0 | 0 | 119.3 | ||||
| 1526 | D | 26 | Very low | 33.3 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -50.2 | 147.1 | -176.6 | -57.1 | -86.5 | 0 | 0 | 0 | 117.1 | ||||
| 1527 | F | 26.4 | Very low | 31 | Very low | 208 Ų | 208 | 147.3 Ų | 147.3 | 91% | 0.912 | 78% | 0.777 | S | S | * | * | -154.4 | 122.9 | 123.8 | -108.6 | -72.3 | 0 | 0 | 0 | 110.7 | |||||
| 1528 | Q | 26.1 | Very low | 29.7 | Very low | 151 Ų | 151 | 154 Ų | 154 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -80.1 | 144.3 | 175.8 | -66.1 | 179.7 | -20.1 | 0 | 0 | 111.6 | ||||
| 1529 | Y | 28.6 | Very low | 28.8 | Very low | 235 Ų | 235 | 158.5 Ų | 158.5 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | trans | -148.4 | 122.5 | 142.7 | -102.7 | -72.8 | 0 | 0 | 0 | 110.8 | ||||
| 1530 | N | 29.1 | Very low | 28.4 | Very low | 135 Ų | 135 | 159.3 Ų | 159.3 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | -84.3 | 134.3 | -176.4 | -78.6 | -39.1 | 0 | 0 | 0 | 112.4 | ||||
| 1531 | C | 29.8 | Very low | 28.1 | Very low | 135 Ų | 135 | 156 Ų | 156 | 91% | 0.912 | 81% | 0.813 | S | S | * | * | trans | -143.9 | 65.6 | 162.6 | -91.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1532 | H | 28.8 | Very low | 28 | Very low | 197 Ų | 197 | 154.4 Ų | 154.4 | 91% | 0.912 | 81% | 0.814 | S | S | * | * | trans | -90.4 | 118.4 | 160.5 | -95.8 | -62.2 | 0 | 0 | 0 | 109.2 | ||||
| 1533 | G | 31 | Very low | 28 | Very low | 75 Ų | 75 | 150.3 Ų | 150.3 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -159.5 | 126.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1534 | Q | 29.2 | Very low | 28.1 | Very low | 206 Ų | 206 | 155.9 Ų | 155.9 | 96% | 0.963 | 81% | 0.811 | S | S | * | * | trans | -79.3 | 153.5 | -175.8 | -60.2 | 161.6 | -18.9 | 0 | 0 | 111.5 | ||||
| 1535 | G | 28.8 | Very low | 28.1 | Very low | 64 Ų | 64 | 158.5 Ų | 158.5 | 66% | 0.66 | 81% | 0.809 | S | S | * | * | trans | 138.8 | 122.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1536 | H | 30.3 | Very low | 28 | Very low | 170 Ų | 170 | 158.1 Ų | 158.1 | 79% | 0.787 | 81% | 0.809 | S | S | * | * | trans | 42 | 112.2 | 144.2 | -62 | -85.7 | 0 | 0 | 0 | 122.3 | ||||
| 1537 | H | 29.3 | Very low | 28 | Very low | 161 Ų | 161 | 158 Ų | 158 | 75% | 0.745 | 82% | 0.817 | S | S | * | * | trans | 51.3 | 129.6 | 131.1 | -71 | -60.8 | 0 | 0 | 0 | 123.7 | ||||
| 1538 | K | 29.5 | Very low | 27.8 | Very low | 180 Ų | 180 | 156.5 Ų | 156.5 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | 78 | 124.6 | 146 | -71.2 | 176.6 | 178.6 | 179.8 | 0 | 118.8 | ||||
| 1539 | H | 29.1 | Very low | 27.9 | Very low | 176 Ų | 176 | 159 Ų | 159 | 82% | 0.815 | 82% | 0.819 | S | S | * | * | trans | 35.5 | 93.2 | 151 | -60.1 | -73.5 | 0 | 0 | 0 | 118.8 | ||||
| 1540 | H | 28.8 | Very low | 27.8 | Very low | 187 Ų | 187 | 153.8 Ų | 153.8 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -141.8 | 135.3 | 136.3 | -105.9 | -78.1 | 0 | 0 | 0 | 111.2 | ||||
| 1541 | S | 25.8 | Very low | 27.6 | Very low | 110 Ų | 110 | 152.6 Ų | 152.6 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -86.7 | 126.1 | 172.6 | 46 | 0 | 0 | 0 | 0 | 110 | ||||
| 1542 | C | 27.2 | Very low | 27.6 | Very low | 121 Ų | 121 | 153 Ų | 153 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -116.1 | 132.4 | 169.6 | -78 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1543 | T | 26 | Very low | 27.5 | Very low | 124 Ų | 124 | 150.1 Ų | 150.1 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -122.9 | 120.6 | -178.8 | 48.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1544 | Y | 28.7 | Very low | 27.3 | Very low | 230 Ų | 230 | 152 Ų | 152 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -128.9 | 115.4 | 163.6 | -87.5 | -93.2 | 0 | 0 | 0 | 105.3 | ||||
| 1545 | K | 25.3 | Very low | 27.1 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | cis | 69.7 | 112.3 | 35.3 | -124.7 | -176.5 | -166.7 | -177.4 | 0 | 112.4 | ||||
| 1546 | N | 25.3 | Very low | 27.1 | Very low | 150 Ų | 150 | 154.3 Ų | 154.3 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | 66.5 | 93.1 | 166.7 | -57.3 | -4.5 | 0 | 0 | 0 | 118.4 | ||||
| 1547 | C | 25.2 | Very low | 26.8 | Very low | 128 Ų | 128 | 154.9 Ų | 154.9 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -132.1 | 98.4 | 146.8 | -89.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1548 | K | 22.7 | Very low | 26.8 | Very low | 178 Ų | 178 | 153.4 Ų | 153.4 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | trans | -103.7 | 99.4 | -176.4 | -178.1 | -169.1 | -177.3 | -169.4 | 0 | 108.2 | L1550 | K1548-L1550 PolarHBondContact O-N 3.4Š| ||
| 1549 | F | 27 | Very low | 26.6 | Very low | 203 Ų | 203 | 152.5 Ų | 152.5 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 119.8 | 169.7 | -92.3 | -84.7 | 0 | 0 | 0 | 109.2 | ||
| 1550 | L | 25.8 | Very low | 26.4 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 65% | 0.654 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 140.2 | 178.9 | -75 | 87.1 | 0 | 0 | 0 | 110.4 | K1548 | K1548-L1550 PolarHBondContact O-N 3.4Š|
| 1551 | S | 26.5 | Very low | 26.4 | Very low | 110 Ų | 110 | 150.6 Ų | 150.6 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 127.2 | 146 | 53.2 | 0 | 0 | 0 | 0 | 108.7 | ||
| 1552 | D | 29.5 | Very low | 26.4 | Very low | 143 Ų | 143 | 150.2 Ų | 150.2 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | trans | -145.6 | 139.8 | 155.1 | -97.4 | -47.3 | 0 | 0 | 0 | 109.8 | ||||
| 1553 | T | 26 | Very low | 26.4 | Very low | 138 Ų | 138 | 151.1 Ų | 151.1 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -106.1 | 123.3 | -177.2 | 49.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1554 | S | 27.6 | Very low | 26.4 | Very low | 113 Ų | 113 | 153.6 Ų | 153.6 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -149.4 | 129.7 | 162.6 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1555 | F | 25.7 | Very low | 26.4 | Very low | 172 Ų | 172 | 149.4 Ų | 149.4 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | -75.1 | 132.2 | 169.1 | -82.2 | -116.4 | 0 | 0 | 0 | 109 | ||||
| 1556 | I | 27.4 | Very low | 26.7 | Very low | 147 Ų | 147 | 151.4 Ų | 151.4 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -137.7 | 117.5 | 149.8 | -55.7 | -176.9 | 0 | 0 | 0 | 107.5 | V1558 | I1556-V1558 HydrophobicContact CG2-CG2 3.89Š| ||
| 1557 | E | 23.6 | Very low | 26.6 | Very low | 183 Ų | 183 | 151.8 Ų | 151.8 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -76.7 | 126.8 | 167.1 | -63.5 | 177.7 | 121.5 | 0 | 0 | 109.1 | ||||
| 1558 | V | 29.3 | Very low | 26.7 | Very low | 129 Ų | 129 | 152.6 Ų | 152.6 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | -131.8 | 129.5 | 165.8 | -173.3 | 0 | 0 | 0 | 0 | 108.8 | I1556 | I1556-V1558 HydrophobicContact CG2-CG2 3.89Š| ||
| 1559 | H | 25.6 | Very low | 27.1 | Very low | 162 Ų | 162 | 149.7 Ų | 149.7 | 75% | 0.75 | 78% | 0.78 | S | S | * | * | trans | -68.7 | 161.4 | -178.6 | -86.1 | -91.5 | 0 | 0 | 0 | 113.4 | ||||
| 1560 | N | 25.5 | Very low | 27.2 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 18.4 | 121.8 | 145.2 | -54.8 | -12.2 | 0 | 0 | 0 | 117.5 | ||||
| 1561 | H | 28.2 | Very low | 27.1 | Very low | 192 Ų | 192 | 149.9 Ų | 149.9 | 89% | 0.889 | 78% | 0.783 | S | S | * | * | -155.2 | 151.4 | 115.1 | -107.1 | -70.5 | 0 | 0 | 0 | 112.2 | |||||
| 1562 | S | 25.4 | Very low | 27 | Very low | 101 Ų | 101 | 149.5 Ų | 149.5 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -87.2 | 132.3 | -176.4 | 51.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1563 | V | 28.3 | Very low | 27 | Very low | 141 Ų | 141 | 153.5 Ų | 153.5 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -136.7 | 105.4 | 160.2 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1564 | H | 26.3 | Very low | 27 | Very low | 176 Ų | 176 | 154.3 Ų | 154.3 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | trans | -69.5 | 147.4 | 153.7 | -84 | -103.1 | 0 | 0 | 0 | 108.7 | ||||
| 1565 | I | 28.8 | Very low | 27 | Very low | 142 Ų | 142 | 156.4 Ų | 156.4 | 73% | 0.728 | 81% | 0.81 | S | S | * | * | trans | 173.8 | 152.3 | 140.6 | -94 | 153.5 | 0 | 0 | 0 | 109.4 | ||||
| 1566 | Y | 30 | Very low | 27.1 | Very low | 216 Ų | 216 | 155.6 Ų | 155.6 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | trans | 72.2 | 66.1 | -177.1 | -65.1 | -61.2 | 0 | 0 | 0 | 118.5 | ||||
| 1567 | E | 23.7 | Very low | 27 | Very low | 157 Ų | 157 | 156.1 Ų | 156.1 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | -76.9 | 168.7 | 126.4 | -71.1 | -174.3 | 122.8 | 0 | 0 | 110.3 | |||||
| 1568 | N | 28.3 | Very low | 27.2 | Very low | 146 Ų | 146 | 154.4 Ų | 154.4 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | trans | 71.4 | 124.7 | -169.3 | -46.1 | -64.3 | 0 | 0 | 0 | 112.4 | ||||
| 1569 | T | 30.7 | Very low | 27.1 | Very low | 116 Ų | 116 | 156.1 Ų | 156.1 | 71% | 0.712 | 82% | 0.816 | S | S | * | * | cis | -148.1 | 140.6 | 39.6 | 43.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1570 | I | 28.2 | Very low | 27.2 | Very low | 136 Ų | 136 | 155.6 Ų | 155.6 | 70% | 0.697 | 82% | 0.82 | S | S | * | * | trans | 58.3 | 108.8 | 134.3 | -56.4 | 165.9 | 0 | 0 | 0 | 117 | ||||
| 1571 | Q | 24.1 | Very low | 27.3 | Very low | 196 Ų | 196 | 157.5 Ų | 157.5 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | 55.4 | 54 | 69.8 | -70.6 | -162.9 | -35 | 0 | 0 | 117.2 | |||||
| 1572 | S | 25.3 | Very low | 27.3 | Very low | 103 Ų | 103 | 154.7 Ų | 154.7 | 72% | 0.72 | 83% | 0.825 | S | S | * | * | trans | -170.9 | 95.7 | 147.4 | 58.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1573 | T | 28.4 | Very low | 27.4 | Very low | 226 Ų | 226 | 159.5 Ų | 159.5 | 100% | 1.387 | 84% | 0.836 | S | S | * | * | trans | -177.7 | 0 | 135.5 | 33.6 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 1,573 of 1,573 residues in 337.6 ms
(Link to these results)