| 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 | 32.8 | Very low | 36.6 | Very low | 238 Ų | 238 | 114.3 Ų | 114.3 | 100% | 1.172 | 69% | 0.69 | S | S | * | * | 0 | 110.6 | 0 | -76.7 | 165.8 | 169.4 | 0 | 0 | 106 | |||||
| 2 | A | 30.3 | Very low | 36.7 | Very low | 85 Ų | 85 | 115.5 Ų | 115.5 | 70% | 0.702 | 69% | 0.689 | S | S | * | * | 70 | 90.3 | 88.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 3 | S | 39.7 | Very low | 36.4 | Very low | 109 Ų | 109 | 120 Ų | 120 | 76% | 0.762 | 69% | 0.687 | S | S | * | * | 88.1 | 107.4 | 75 | 63 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 4 | D | 31.7 | Very low | 36.2 | Very low | 140 Ų | 140 | 117.6 Ų | 117.6 | 75% | 0.749 | 68% | 0.676 | S | S | * | * | -164.5 | 117.5 | 129.2 | -149.2 | -34.5 | 0 | 0 | 0 | 111.3 | G6 | D4-G6 VanDerWaalsContact C-N 3.32Å; D4-G6 PolarHBondContact OD1-N 3.29Å; D4-G6 VanDerWaalsContact OD1-N 3.08Å | |||
| 5 | P | 36 | Very low | 36.2 | Very low | 120 Ų | 120 | 118.5 Ų | 118.5 | 78% | 0.779 | 68% | 0.675 | S | S | * | * | trans | -85.8 | 5.8 | 174.4 | 35 | -34.1 | 0 | 0 | 0 | 113.8 | L7 | P5-L7 PolarHBondContact O-N 2.87Š| ||
| 6 | G | 36.1 | Very low | 36.1 | Very low | 35 Ų | 35 | 116.1 Ų | 116.1 | 36% | 0.361 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.8 | -19.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | D4 | D4-G6 VanDerWaalsContact C-N 3.32Å; D4-G6 PolarHBondContact OD1-N 3.29Å; D4-G6 VanDerWaalsContact OD1-N 3.08Å |
| 7 | L | 38.8 | Very low | 35.9 | Very low | 139 Ų | 139 | 116 Ų | 116 | 73% | 0.728 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -89.2 | -22.5 | -168 | -92.3 | 157.6 | 0 | 0 | 0 | 115.9 | P5 | P5-L7 PolarHBondContact O-N 2.87Å |
| 8 | A | 37.1 | Very low | 35.6 | Very low | 76 Ų | 76 | 122.6 Ų | 122.6 | 63% | 0.628 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -73.9 | -28.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 9 | V | 43.7 | Very low | 35.6 | Very low | 87 Ų | 87 | 120.4 Ų | 120.4 | 53% | 0.527 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -76.8 | -32.8 | -177.5 | 179 | 0 | 0 | 0 | 0 | 111.6 | L12 W13 | V9-L12 PolarHBondContact O-N 3.29Å; V9-W13 PolarHBondContact O-N 3.34Å; V9-W13 VanDerWaalsContact O-N 3.15Å |
| 10 | I | 39 | Very low | 35.6 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 54% | 0.538 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -70.9 | -36.1 | -175.4 | -62.1 | 174.4 | 0 | 0 | 0 | 111.5 | W13 T14 | I10-W13 PolarHBondContact O-N 3.3Å; I10-T14 PolarHBondContact O-N 2.87Å; I10-T14 PolarHBondContact O-OG1 3.49Å |
| 11 | L | 37.1 | Very low | 35.4 | Very low | 123 Ų | 123 | 118.4 Ų | 118.4 | 64% | 0.644 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -70.4 | -31.7 | 179.2 | -119.8 | 121 | 0 | 0 | 0 | 113.1 | T14 | L11-T14 PolarHBondContact O-OG1 3.14Å; L11-T14 VanDerWaalsContact O-OG1 3.09Å |
| 12 | L | 37.7 | Very low | 35.3 | Very low | 129 Ų | 129 | 110.7 Ų | 110.7 | 68% | 0.675 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.8 | -38.3 | 171.9 | -81.4 | 160.6 | 0 | 0 | 0 | 111.8 | V9 T14 I15 S16 | V9-L12 PolarHBondContact O-N 3.29Å; L12-T14 PolarHBondContact O-N 2.97Å; L12-I15 PolarHBondContact O-N 2.7Å; L12-S16 PolarHBondContact O-N 3.03Å |
| 13 | W | 33.7 | Very low | 35.4 | Very low | 174 Ų | 174 | 111.9 Ų | 111.9 | 66% | 0.659 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -67.1 | -31.9 | 175.9 | -94.6 | 76.6 | 0 | 0 | 0 | 114 | V9 I10 I15 L17 | V9-W13 PolarHBondContact O-N 3.34Å; V9-W13 VanDerWaalsContact O-N 3.15Å; I10-W13 PolarHBondContact O-N 3.3Å; W13-I15 PolarHBondContact O-N 3.22Å; W13-L17 HydrophobicContact CE3-CD1 3.76Å; W13-L17 HydrophobicContact CZ3-CD1 3.96Å; W13-L17 PolarHBondContact O-N 3.05Å |
| 14 | T | 32.4 | Very low | 35.1 | Very low | 87 Ų | 87 | 109.9 Ų | 109.9 | 53% | 0.534 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -75.8 | -18.5 | 178.4 | 46.8 | 0 | 0 | 0 | 0 | 114.9 | I10 L11 L12 | I10-T14 PolarHBondContact O-N 2.87Å; I10-T14 PolarHBondContact O-OG1 3.49Å; L11-T14 PolarHBondContact O-OG1 3.14Å; L11-T14 VanDerWaalsContact O-OG1 3.09Å; L12-T14 PolarHBondContact O-N 2.97Å |
| 15 | I | 36.4 | Very low | 35.4 | Very low | 131 Ų | 131 | 108.6 Ų | 108.6 | 67% | 0.672 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -84.2 | -33.3 | 174 | -64.5 | 176 | 0 | 0 | 0 | 110.6 | L12 W13 | L12-I15 PolarHBondContact O-N 2.7Å; W13-I15 PolarHBondContact O-N 3.22Å |
| 16 | S | 35.3 | Very low | 36.2 | Very low | 79 Ų | 79 | 108.7 Ų | 108.7 | 55% | 0.552 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.7 | -23.5 | 175.3 | -65.5 | 0 | 0 | 0 | 0 | 114.6 | L12 R18 A19 | L12-S16 PolarHBondContact O-N 3.03Å; S16-R18 PolarHBondContact O-N 3.4Å; S16-A19 PolarHBondContact O-N 2.99Å |
| 17 | L | 32.7 | Very low | 38.1 | Very low | 115 Ų | 115 | 108.5 Ų | 108.5 | 60% | 0.602 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 7 | -179.1 | -105.8 | 90.7 | 0 | 0 | 0 | 116.5 | W13 | W13-L17 HydrophobicContact CE3-CD1 3.76Å; W13-L17 HydrophobicContact CZ3-CD1 3.96Å; W13-L17 PolarHBondContact O-N 3.05Å |
| 18 | R | 30.6 | Very low | 40.4 | Very low | 235 Ų | 235 | 104.1 Ų | 104.1 | 89% | 0.887 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -1 | 162.3 | -82.1 | -170.4 | 173.7 | -171.3 | -1.1 | 114.1 | S16 | S16-R18 PolarHBondContact O-N 3.4Š|
| 19 | A | 35.4 | Very low | 43 | Very low | 81 Ų | 81 | 102.4 Ų | 102.4 | 67% | 0.669 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -99.8 | -4.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | S16 | S16-A19 PolarHBondContact O-N 2.99Š|
| 20 | V | 36 | Very low | 45.4 | Very low | 122 Ų | 122 | 99.6 Ų | 99.6 | 74% | 0.739 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -98.8 | 3.6 | -179.8 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | A22 | V20-A22 VanDerWaalsContact C-N 3.33Å; V20-A22 PolarHBondContact O-N 2.58Å |
| 21 | G | 31.4 | Very low | 48 | Very low | 77 Ų | 77 | 98 Ų | 98 | 79% | 0.794 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -90.5 | 25.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 22 | A | 30.3 | Very low | 50.8 | Low | 76 Ų | 76 | 93.3 Ų | 93.3 | 63% | 0.628 | 57% | 0.566 | S | S | * | * | trans | -136 | 112.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | V20 G24 | V20-A22 VanDerWaalsContact C-N 3.33Å; V20-A22 PolarHBondContact O-N 2.58Å; A22-G24 PolarHBondContact O-N 3.29Å | ||
| 23 | A | 32.9 | Very low | 53.5 | Low | 110 Ų | 110 | 88.1 Ų | 88.1 | 91% | 0.909 | 54% | 0.539 | S | S | * | . | trans | -70.7 | 72.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | T25 | A23-T25 PolarHBondContact O-N 3.5Š| ||
| 24 | G | 33.7 | Very low | 56.3 | Low | 67 Ų | 67 | 81 Ų | 81 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | trans | -60.4 | 119.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | A22 S26 | A22-G24 PolarHBondContact O-N 3.29Å; G24-S26 PolarHBondContact O-N 2.83Å | ||
| 25 | T | 37.4 | Very low | 59.1 | Low | 112 Ų | 112 | 77 Ų | 77 | 69% | 0.687 | 49% | 0.49 | S | S | * | . | trans | -55.4 | 138.3 | -179.3 | 38.6 | 0 | 0 | 0 | 0 | 110.9 | A23 S27 | A23-T25 PolarHBondContact O-N 3.5Å; T25-S27 PolarHBondContact O-N 2.91Å | ||
| 26 | S | 53.2 | Low | 61.4 | Low | 122 Ų | 122 | 75.4 Ų | 75.4 | 85% | 0.853 | 49% | 0.486 | S | S | * | . | trans | -70.3 | 58.8 | 169.9 | 174.3 | 0 | 0 | 0 | 0 | 110.4 | G24 | G24-S26 PolarHBondContact O-N 2.83Š| ||
| 27 | S | 75.5 | Confident | 63.8 | Low | 32 Ų | 32 | 76.6 Ų | 76.6 | 22% | 0.224 | 49% | 0.49 | C | S | . | . | trans | -109.9 | 137.4 | -177.1 | -169.3 | 0 | 0 | 0 | 0 | 111.1 | T25 E29 V203 | T25-S27 PolarHBondContact O-N 2.91Å; S27-E29 PolarHBondContact O-N 2.86Å; S27-E29 PolarHBondContact OG-N 2.92Å; S27-E29 VanDerWaalsContact OG-N 3.08Å; S27-E29 PolarHBondContact OG-O 2.73Å; S27-V203 WeakPolarHBondContact O-CG2 3.37Å | ||
| 28 | N | 86.6 | Confident | 66.3 | Low | 47 Ų | 47 | 73.9 Ų | 73.9 | 25% | 0.251 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -71 | -8.7 | 166.1 | 54.5 | -2 | 0 | 0 | 0 | 112 | K200 R201 E250 | N28-K200 CarbonylContact O-C 3.58Å; N28-K200 VanDerWaalsContact O-CA 3.28Å; N28-K200 WeakPolarHBondContact O-CA 3.23Å; N28-R201 WeakPolarHBondContact CA-O 3.03Å; N28-R201 WeakPolarHBondContact CB-O 3.38Å; N28-R201 PolarHBondContact O-N 2.79Å; N28-E250 PolarHBondContact ND2-OE1 2.76Å; N28-E250 VanDerWaalsContact ND2-OE1 3.08Å |
| 29 | E | 92.5 | Very high | 68.3 | Low | 39 Ų | 39 | 69.6 Ų | 69.6 | 18% | 0.182 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134.5 | 175.8 | -56.7 | -170.9 | 161 | 0 | 0 | 111.7 | S27 R196 Y198 Y199 K200 | S27-E29 PolarHBondContact O-N 2.86Å; S27-E29 PolarHBondContact OG-N 2.92Å; S27-E29 VanDerWaalsContact OG-N 3.08Å; S27-E29 PolarHBondContact OG-O 2.73Å; E29-R196 IonicContact OE2-CZ 2.74Å; E29-R196 VanDerWaalsContact OE2-CZ 3.28Å; E29-R196 IonicContact OE2-NH1 3.25Å; E29-R196 PolarHBondContact OE2-NH1 3.1Å; E29-R196 IonicContact OE2-NH2 3.93Å; E29-R196 PolarHBondContact OE2-NH2 2.78Å; E29-Y198 HydrophobicContact CB-CD2 3.8Å; E29-Y198 HydrophobicContact CB-CE2 4.22Å; E29-Y198 HydrophobicContact CB-CG 4.48Å; E29-Y198 HydrophobicContact CG-CD2 3.84Å; E29-Y198 HydrophobicContact CG-CE2 3.74Å; E29-Y198 WeakPolarHBondContact OE1-CE2 3.4Å; E29-Y198 PolarHBondContact OE1-OH 3.27Å; E29-Y199 WeakPolarHBondContact CA-O 3.33Å; E29-K200 HydrophobicContact CG-CG 4.41Å; E29-K200 VanDerWaalsContact OE1-CE 3.28Å; E29-K200 WeakPolarHBondContact OE1-CE 3.46Å; E29-K200 IonicContact OE1-NZ 3.56Å; E29-K200 PolarHBondContact OE1-NZ 2.9Å |
| 30 | V | 92.9 | Very high | 70.1 | Confident | 28 Ų | 28 | 66.9 Ų | 66.9 | 17% | 0.17 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 117.3 | 176 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | Y198 Y199 R201 | V30-Y198 CarbonylContact O-C 3.56Å; V30-Y198 WeakPolarHBondContact O-CA 3.15Å; V30-Y198 VanDerWaalsContact O-CB 3.27Å; V30-Y198 WeakPolarHBondContact O-CB 3.38Å; V30-Y199 HydrophobicContact CB-CD1 3.95Å; V30-Y199 HydrophobicContact CB-CE1 3.5Å; V30-Y199 HydrophobicContact CB-CE2 4.18Å; V30-Y199 HydrophobicContact CB-CG 4.48Å; V30-Y199 HydrophobicContact CG1-CD1 4.29Å; V30-Y199 HydrophobicContact CG1-CE1 3.49Å; V30-Y199 VanDerWaalsContact CG1-CE1 3.49Å; V30-Y199 HydrophobicContact CG2-CE1 4.38Å; V30-Y199 HydrophobicContact CG2-CE2 4.28Å; V30-Y199 PolarHBondContact N-O 2.84Å; V30-Y199 PolarHBondContact O-N 2.8Å; V30-R201 HydrophobicContact CG2-CG 4.06Å; V30-R201 VanDerWaalsContact CG2-NE 3.33Å |
| 31 | N | 94.5 | Very high | 72.1 | Confident | 71 Ų | 71 | 65.5 Ų | 65.5 | 38% | 0.38 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 127.7 | -178.3 | -69.7 | -4.4 | 0 | 0 | 0 | 111.1 | D34 R196 | N31-D34 PolarHBondContact ND2-OD2 2.91Å; N31-R196 VanDerWaalsContact OD1-CZ 3.3Å; N31-R196 PolarHBondContact OD1-NE 3.47Å; N31-R196 PolarHBondContact OD1-NH2 2.74Å |
| 32 | L | 94.7 | Very high | 74.7 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 13% | 0.131 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -27 | 168.7 | -58.8 | 178 | 0 | 0 | 0 | 111.8 | I87 E90 A92 I95 F179 V197 Y199 | L32-I87 HydrophobicContact CB-CG2 3.71Å; L32-E90 HydrophobicContact CD2-CB 3.95Å; L32-E90 HydrophobicContact CD2-CG 3.92Å; L32-A92 HydrophobicContact CD1-CB 4.46Å; L32-I95 HydrophobicContact CD1-CG2 3.65Å; L32-F179 HydrophobicContact CD1-CE1 4.19Å; L32-F179 HydrophobicContact CD1-CZ 4.18Å; L32-V197 PolarHBondContact N-O 3.26Å; L32-Y199 HydrophobicContact CD1-CD1 4.16Å; L32-Y199 HydrophobicContact CD2-CD1 3.7Å; L32-Y199 HydrophobicContact CD2-CE1 3.76Å; L32-Y199 HydrophobicContact CG-CD1 3.89Å; L32-Y199 HydrophobicContact CG-CE1 4.43Å |
| 33 | L | 94.6 | Very high | 77.4 | Confident | 21 Ų | 21 | 61.5 Ų | 61.5 | 11% | 0.11 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 140.6 | 174.8 | 174 | 63.6 | 0 | 0 | 0 | 108.9 | I38 W44 I87 R196 V197 | L33-I38 HydrophobicContact CD1-CD1 4.26Å; L33-W44 HydrophobicContact CD2-CZ2 4.08Å; L33-I87 HydrophobicContact CB-CD1 4.25Å; L33-I87 HydrophobicContact CB-CG1 4.48Å; L33-I87 HydrophobicContact CD2-CD1 3.57Å; L33-I87 HydrophobicContact CD2-CG1 4.14Å; L33-R196 CarbonylContact O-C 3.54Å; L33-R196 WeakPolarHBondContact O-CA 3.34Å; L33-V197 HydrophobicContact CB-CB 4.04Å; L33-V197 HydrophobicContact CB-CG2 4.11Å; L33-V197 HydrophobicContact CD2-CG2 4.13Å; L33-V197 PolarHBondContact N-O 3.29Å; L33-V197 PolarHBondContact O-N 3.12Å; L33-V197 VanDerWaalsContact O-O 3.13Å |
| 34 | D | 93.4 | Very high | 80.2 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 13% | 0.134 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 105 | 169.6 | -170.5 | -30.2 | 0 | 0 | 0 | 108.8 | N31 T36 T37 R196 | N31-D34 PolarHBondContact ND2-OD2 2.91Å; D34-T36 PolarHBondContact O-N 2.88Å; D34-T36 WeakPolarHBondContact OD1-CB 3.45Å; D34-T36 PolarHBondContact OD1-N 2.85Å; D34-T36 PolarHBondContact OD1-OG1 2.97Å; D34-T37 HydrophobicContact CB-CG2 4.17Å; D34-T37 PolarHBondContact O-N 2.89Å; D34-T37 VanDerWaalsContact O-N 3.13Å; D34-T37 PolarHBondContact O-OG1 3.19Å; D34-R196 HydrophobicContact CB-CG 4.36Å |
| 35 | T | 91.1 | Very high | 82.9 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -67.1 | -16 | -175.2 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | T37 I38 W42 W44 V195 | T35-T37 PolarHBondContact O-N 3.01Å; T35-I38 HydrophobicContact CG2-CD1 4.25Å; T35-I38 PolarHBondContact O-N 3.16Å; T35-W42 VanDerWaalsContact CB-CE2 3.47Å; T35-W42 HydrophobicContact CG2-CD2 3.74Å; T35-W42 HydrophobicContact CG2-CE3 3.95Å; T35-W42 HydrophobicContact CG2-CG 4.14Å; T35-W42 HydrophobicContact CG2-CH2 4.46Å; T35-W42 HydrophobicContact CG2-CZ2 4.25Å; T35-W42 HydrophobicContact CG2-CZ3 4.32Å; T35-W42 WeakPolarHBondContact OG1-CZ2 3.22Å; T35-W44 HydrophobicContact CG2-CH2 4.07Å; T35-W44 HydrophobicContact CG2-CZ2 3.59Å; T35-V195 HydrophobicContact CG2-CB 4.19Å; T35-V195 PolarHBondContact N-O 3.07Å; T35-V195 PolarHBondContact OG1-N 2.62Å |
| 36 | T | 85.6 | Confident | 85.5 | Confident | 97 Ų | 97 | 53 Ų | 53 | 60% | 0.595 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -70.6 | -19.9 | 175.1 | 70.8 | 0 | 0 | 0 | 0 | 112.8 | D34 S194 | D34-T36 PolarHBondContact O-N 2.88Å; D34-T36 WeakPolarHBondContact OD1-CB 3.45Å; D34-T36 PolarHBondContact OD1-N 2.85Å; D34-T36 PolarHBondContact OD1-OG1 2.97Å; T36-S194 VanDerWaalsContact CG2-OG 3.26Å; T36-S194 WeakPolarHBondContact CG2-OG 3.19Å |
| 37 | T | 85.4 | Confident | 87.2 | Confident | 104 Ų | 104 | 52.7 Ų | 52.7 | 64% | 0.638 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -89.6 | -6.2 | 177.1 | 67.5 | 0 | 0 | 0 | 0 | 113.2 | D34 T35 | D34-T37 HydrophobicContact CB-CG2 4.17Å; D34-T37 PolarHBondContact O-N 2.89Å; D34-T37 VanDerWaalsContact O-N 3.13Å; D34-T37 PolarHBondContact O-OG1 3.19Å; T35-T37 PolarHBondContact O-N 3.01Å |
| 38 | I | 84.1 | Confident | 87.9 | Confident | 57 Ų | 57 | 54.1 Ų | 54.1 | 29% | 0.292 | 31% | 0.313 | S | S | . | . | trans | -86.7 | 114.5 | -179.9 | -56.2 | 178.3 | 0 | 0 | 0 | 109.1 | L33 T35 G40 | L33-I38 HydrophobicContact CD1-CD1 4.26Å; T35-I38 HydrophobicContact CG2-CD1 4.25Å; T35-I38 PolarHBondContact O-N 3.16Å; I38-G40 PolarHBondContact O-N 3.43Å | ||
| 39 | T | 72.3 | Confident | 87.6 | Confident | 145 Ų | 145 | 55.7 Ų | 55.7 | 89% | 0.89 | 33% | 0.328 | S | S | * | . | trans | -86.2 | 101.6 | 172.8 | 53.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 40 | G | 73.9 | Confident | 86.9 | Confident | 24 Ų | 24 | 60.7 Ų | 60.7 | 25% | 0.247 | 35% | 0.351 | C | S | . | . | S | Bend | trans | 121.5 | -178.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I38 W42 H66 | I38-G40 PolarHBondContact O-N 3.43Å; G40-W42 PolarHBondContact O-N 2.84Å; G40-H66 VanDerWaalsContact CA-NE2 3.26Å; G40-H66 WeakPolarHBondContact CA-NE2 3.48Å; G40-H66 PolarHBondContact N-CD2 3.05Å; G40-H66 PolarHBondContact N-NE2 2.68Å; G40-H66 PolarHBondContact O-CD2 2.99Å; G40-H66 VanDerWaalsContact O-CG 3.25Å |
| 41 | D | 78.6 | Confident | 86.5 | Confident | 93 Ų | 93 | 59.4 Ų | 59.4 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | trans | -51.7 | 134 | 170.1 | 174.8 | 15.7 | 0 | 0 | 0 | 110.6 | G43 Y68 | D41-G43 PolarHBondContact O-N 2.9Å; D41-G43 VanDerWaalsContact O-N 3.15Å; D41-G43 PolarHBondContact OD1-N 2.76Å; D41-Y68 PolarHBondContact OD1-OH 2.8Å | ||
| 42 | W | 86.1 | Confident | 86.4 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | trans | -64 | -16.9 | 178.1 | -49.1 | -17 | 0 | 0 | 0 | 112.2 | T35 G40 W44 H66 Y68 L192 V195 | T35-W42 VanDerWaalsContact CB-CE2 3.47Å; T35-W42 HydrophobicContact CG2-CD2 3.74Å; T35-W42 HydrophobicContact CG2-CE3 3.95Å; T35-W42 HydrophobicContact CG2-CG 4.14Å; T35-W42 HydrophobicContact CG2-CH2 4.46Å; T35-W42 HydrophobicContact CG2-CZ2 4.25Å; T35-W42 HydrophobicContact CG2-CZ3 4.32Å; T35-W42 WeakPolarHBondContact OG1-CZ2 3.22Å; G40-W42 PolarHBondContact O-N 2.84Å; W42-W44 VanDerWaalsContact C-N 3.34Å; W42-W44 HydrophobicContact CB-CD2 4.3Å; W42-W44 HydrophobicContact CB-CG 4.09Å; W42-W44 AromaticContact CE3-CD2 3.89Å; W42-W44 HydrophobicContact CE3-CD2 3.89Å; W42-W44 AromaticContact CE3-CE2 3.94Å; W42-W44 AromaticContact CE3-CE3 3.76Å; W42-W44 HydrophobicContact CE3-CE3 3.76Å; W42-W44 AromaticContact CE3-CH2 3.81Å; W42-W44 HydrophobicContact CE3-CH2 3.81Å; W42-W44 AromaticContact CE3-CZ2 3.89Å; W42-W44 HydrophobicContact CE3-CZ2 3.89Å; W42-W44 AromaticContact CE3-CZ3 3.73Å; W42-W44 HydrophobicContact CE3-CZ3 3.73Å; W42-W44 HydrophobicContact CZ3-CE3 4.18Å; W42-W44 AromaticContact CZ3-CH2 3.94Å; W42-W44 HydrophobicContact CZ3-CH2 3.94Å; W42-W44 HydrophobicContact CZ3-CZ2 4.46Å; W42-W44 AromaticContact CZ3-CZ3 3.77Å; W42-W44 HydrophobicContact CZ3-CZ3 3.77Å; W42-H66 WeakPolarHBondContact CZ2-O 3.22Å; W42-H66 PolarHBondContact NE1-O 3.24Å; W42-Y68 HydrophobicContact CB-CE2 4.02Å; W42-Y68 AromaticContact CD2-CD2 3.97Å; W42-Y68 HydrophobicContact CD2-CD2 3.97Å; W42-Y68 AromaticContact CD2-CE2 3.93Å; W42-Y68 HydrophobicContact CD2-CE2 3.93Å; W42-Y68 AromaticContact CE3-CD2 3.43Å; W42-Y68 HydrophobicContact CE3-CD2 3.43Å; W42-Y68 VanDerWaalsContact CE3-CD2 3.43Å; W42-Y68 AromaticContact CE3-CE2 3.65Å; W42-Y68 HydrophobicContact CE3-CE2 3.65Å; W42-Y68 HydrophobicContact CG-CE2 4.12Å; W42-Y68 AromaticContact CZ3-CD2 3.74Å; W42-Y68 HydrophobicContact CZ3-CD2 3.74Å; W42-Y68 HydrophobicContact CZ3-CE2 4.42Å; W42-L192 HydrophobicContact CH2-CB 4.49Å; W42-V195 HydrophobicContact CZ3-CG2 4.4Å | ||
| 43 | G | 86.5 | Confident | 86.3 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 53% | 0.526 | 34% | 0.34 | S | S | . | . | trans | 70.7 | 31.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D41 | D41-G43 PolarHBondContact O-N 2.9Å; D41-G43 VanDerWaalsContact O-N 3.15Å; D41-G43 PolarHBondContact OD1-N 2.76Å | ||
| 44 | W | 91.8 | Very high | 86 | Confident | 12 Ų | 12 | 60 Ų | 60 | 5% | 0.045 | 35% | 0.354 | C | S | . | . | trans | -84 | 151.5 | -178.3 | -71.2 | 11.8 | 0 | 0 | 0 | 111.1 | L33 T35 W42 Y68 L82 R83 F183 V195 | L33-W44 HydrophobicContact CD2-CZ2 4.08Å; T35-W44 HydrophobicContact CG2-CH2 4.07Å; T35-W44 HydrophobicContact CG2-CZ2 3.59Å; W42-W44 VanDerWaalsContact C-N 3.34Å; W42-W44 HydrophobicContact CB-CD2 4.3Å; W42-W44 HydrophobicContact CB-CG 4.09Å; W42-W44 AromaticContact CE3-CD2 3.89Å; W42-W44 HydrophobicContact CE3-CD2 3.89Å; W42-W44 AromaticContact CE3-CE2 3.94Å; W42-W44 AromaticContact CE3-CE3 3.76Å; W42-W44 HydrophobicContact CE3-CE3 3.76Å; W42-W44 AromaticContact CE3-CH2 3.81Å; W42-W44 HydrophobicContact CE3-CH2 3.81Å; W42-W44 AromaticContact CE3-CZ2 3.89Å; W42-W44 HydrophobicContact CE3-CZ2 3.89Å; W42-W44 AromaticContact CE3-CZ3 3.73Å; W42-W44 HydrophobicContact CE3-CZ3 3.73Å; W42-W44 HydrophobicContact CZ3-CE3 4.18Å; W42-W44 AromaticContact CZ3-CH2 3.94Å; W42-W44 HydrophobicContact CZ3-CH2 3.94Å; W42-W44 HydrophobicContact CZ3-CZ2 4.46Å; W42-W44 AromaticContact CZ3-CZ3 3.77Å; W42-W44 HydrophobicContact CZ3-CZ3 3.77Å; W44-Y68 HydrophobicContact CB-CE2 4.29Å; W44-Y68 PolarHBondContact N-OH 2.89Å; W44-Y68 VanDerWaalsContact N-OH 3.07Å; W44-Y68 PolarHBondContact O-OH 2.96Å; W44-L82 HydrophobicContact CB-CD1 3.68Å; W44-L82 HydrophobicContact CE3-CD1 4.13Å; W44-L82 HydrophobicContact CE3-CD2 3.88Å; W44-L82 HydrophobicContact CE3-CG 3.85Å; W44-L82 HydrophobicContact CZ3-CD2 4.27Å; W44-R83 WeakPolarHBondContact CA-O 3.21Å; W44-R83 VanDerWaalsContact CB-O 3.29Å; W44-R83 WeakPolarHBondContact CB-O 3.38Å; W44-F183 HydrophobicContact CE3-CE2 4.43Å; W44-F183 HydrophobicContact CH2-CE2 4.02Å; W44-F183 HydrophobicContact CZ3-CD2 4.07Å; W44-F183 AromaticContact CZ3-CE2 3.5Å; W44-F183 HydrophobicContact CZ3-CE2 3.5Å; W44-F183 VanDerWaalsContact CZ3-CE2 3.5Å; W44-F183 HydrophobicContact CZ3-CZ 4.26Å; W44-V195 HydrophobicContact CH2-CB 3.81Å; W44-V195 HydrophobicContact CH2-CG1 4.12Å; W44-V195 HydrophobicContact CH2-CG2 3.76Å; W44-V195 HydrophobicContact CZ3-CG2 4.21Å | ||
| 45 | L | 91.1 | Very high | 85.6 | Confident | 56 Ų | 56 | 61.6 Ų | 61.6 | 29% | 0.293 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 134.2 | -174.7 | -63.3 | -179.2 | 0 | 0 | 0 | 111.2 | L82 R83 S133 I135 | L45-L82 CarbonylContact O-C 3.54Å; L45-L82 WeakPolarHBondContact O-CA 3.41Å; L45-R83 VanDerWaalsContact CD1-NH2 3.3Å; L45-R83 PolarHBondContact N-O 2.86Å; L45-R83 PolarHBondContact O-N 2.96Å; L45-S133 WeakPolarHBondContact CD1-O 3.46Å; L45-I135 HydrophobicContact CB-CD1 4.41Å |
| 46 | T | 91.6 | Very high | 85.2 | Confident | 42 Ų | 42 | 67 Ų | 67 | 26% | 0.258 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 143 | 179.9 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | P48 W52 Y68 W81 L82 | T46-P48 CarbonylContact C-O 3.51Å; T46-W52 HydrophobicContact CG2-CB 3.93Å; T46-W52 WeakPolarHBondContact CG2-O 3.47Å; T46-Y68 HydrophobicContact CG2-CE1 4.11Å; T46-W81 CarbonylContact C-O 3.49Å; T46-W81 WeakPolarHBondContact CA-O 3.33Å; T46-L82 HydrophobicContact CG2-CD1 3.83Å |
| 47 | Y | 89.1 | Confident | 84.6 | Confident | 117 Ų | 117 | 65.4 Ų | 65.4 | 46% | 0.459 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 120.9 | 174.1 | 176.3 | -100.8 | 0 | 0 | 0 | 110.8 | W81 | Y47-W81 PolarHBondContact N-O 2.78Å; Y47-W81 PolarHBondContact O-N 2.85Å |
| 48 | P | 88.5 | Confident | 84 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | S | Bend | cis | -60.8 | 167.1 | -8.8 | 29 | -35.8 | 0 | 0 | 0 | 111.9 | T46 H50 G51 | T46-P48 CarbonylContact C-O 3.51Å; P48-H50 PolarHBondContact O-N 2.89Å; P48-G51 PolarHBondContact O-N 3Å |
| 49 | S | 81.3 | Confident | 83.2 | Confident | 80 Ų | 80 | 65.9 Ų | 65.9 | 56% | 0.559 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -9 | -172.7 | 54.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 50 | H | 77.3 | Confident | 83 | Confident | 144 Ų | 144 | 67.1 Ų | 67.1 | 67% | 0.667 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.4 | 26.7 | 175.4 | -53.1 | -61.1 | 0 | 0 | 0 | 111.2 | P48 | P48-H50 PolarHBondContact O-N 2.89Š|
| 51 | G | 84.4 | Confident | 82.9 | Confident | 2 Ų | 2 | 74.9 Ų | 74.9 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P48 V70 N80 | P48-G51 PolarHBondContact O-N 3Å; G51-V70 WeakPolarHBondContact O-CB 3.48Å; G51-V70 WeakPolarHBondContact O-CG2 3.32Å; G51-N80 WeakPolarHBondContact CA-OD1 3.24Å |
| 52 | W | 93.1 | Very high | 82.4 | Confident | 3 Ų | 3 | 78.6 Ų | 78.6 | 1% | 0.011 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -122 | 137 | 170.8 | -73.5 | 85.4 | 0 | 0 | 0 | 108.6 | T46 Y68 Q69 V70 N80 L82 F183 D185 I190 L192 | T46-W52 HydrophobicContact CG2-CB 3.93Å; T46-W52 WeakPolarHBondContact CG2-O 3.47Å; W52-Y68 HydrophobicContact CB-CD1 4.35Å; W52-Y68 WeakPolarHBondContact CZ3-O 3.43Å; W52-Q69 WeakPolarHBondContact CA-O 3.46Å; W52-V70 HydrophobicContact CD2-CB 4.07Å; W52-V70 HydrophobicContact CD2-CG1 3.77Å; W52-V70 HydrophobicContact CE3-CB 4.11Å; W52-V70 HydrophobicContact CE3-CG1 3.75Å; W52-V70 HydrophobicContact CG-CB 4.45Å; W52-V70 HydrophobicContact CH2-CG1 3.69Å; W52-V70 HydrophobicContact CZ2-CG1 3.7Å; W52-V70 HydrophobicContact CZ3-CG1 3.71Å; W52-N80 PolarHBondContact NE1-O 3.5Å; W52-L82 HydrophobicContact CB-CB 4.37Å; W52-L82 HydrophobicContact CD2-CB 4.06Å; W52-L82 HydrophobicContact CD2-CD2 4.21Å; W52-L82 HydrophobicContact CE3-CD2 4.22Å; W52-L82 HydrophobicContact CG-CB 3.81Å; W52-F183 HydrophobicContact CZ2-CB 4.33Å; W52-D185 HydrophobicContact CZ2-CB 3.84Å; W52-I190 HydrophobicContact CH2-CG2 3.73Å; W52-I190 HydrophobicContact CZ3-CG2 4.17Å; W52-L192 HydrophobicContact CH2-CD1 3.9Å; W52-L192 HydrophobicContact CH2-CG 3.98Å; W52-L192 HydrophobicContact CZ3-CD1 3.87Å; W52-L192 HydrophobicContact CZ3-CG 3.83Å |
| 53 | D | 91.4 | Very high | 81.8 | Confident | 76 Ų | 76 | 81.1 Ų | 81.1 | 41% | 0.406 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.9 | 177.9 | -67 | -45.1 | 0 | 0 | 0 | 110.6 | Y68 Q69 | D53-Y68 WeakPolarHBondContact O-CA 3.42Å; D53-Q69 PolarHBondContact N-O 2.81Å; D53-Q69 PolarHBondContact O-N 2.79Å |
| 54 | A | 88.4 | Confident | 81.2 | Confident | 51 Ų | 51 | 82.7 Ų | 82.7 | 42% | 0.421 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 125.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | T67 Y68 | A54-T67 WeakPolarHBondContact CA-O 3.08Å; A54-Y68 HydrophobicContact CB-CD1 4.17Å; A54-Y68 HydrophobicContact CB-CE1 3.75Å; A54-Y68 HydrophobicContact CB-CE2 4.27Å |
| 55 | I | 85.6 | Confident | 80.5 | Confident | 58 Ų | 58 | 84.4 Ų | 84.4 | 30% | 0.297 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148 | -178.6 | -62.6 | -157.3 | 0 | 0 | 0 | 110.6 | E57 T67 Q69 | I55-E57 HydrophobicContact CG2-CG 3.91Å; I55-T67 PolarHBondContact N-O 3.24Å; I55-T67 PolarHBondContact O-N 3.16Å; I55-Q69 HydrophobicContact CD1-CG 3.82Å; I55-Q69 HydrophobicContact CG1-CG 4Å |
| 56 | N | 82.1 | Confident | 80.1 | Confident | 116 Ų | 116 | 83.7 Ų | 83.7 | 62% | 0.62 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 110.7 | 172.3 | -56.1 | -13.9 | 0 | 0 | 0 | 107.8 | I65 H66 | N56-I65 WeakPolarHBondContact CA-O 3.33Å; N56-H66 PolarHBondContact OD1-CE1 2.86Å; N56-H66 VanDerWaalsContact OD1-CE1 3.27Å; N56-H66 PolarHBondContact OD1-ND1 3.38Å |
| 57 | E | 74.8 | Confident | 80 | Confident | 64 Ų | 64 | 81.8 Ų | 81.8 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 175.8 | 174.7 | -62 | -168.9 | 137.4 | 0 | 0 | 110.5 | I55 P64 I65 T67 | I55-E57 HydrophobicContact CG2-CG 3.91Å; E57-P64 WeakPolarHBondContact O-CA 3.05Å; E57-I65 HydrophobicContact CB-CD1 4.28Å; E57-I65 HydrophobicContact CB-CG1 3.95Å; E57-I65 PolarHBondContact N-O 3.45Å; E57-I65 PolarHBondContact O-N 2.91Å; E57-T67 HydrophobicContact CB-CG2 4.48Å; E57-T67 HydrophobicContact CG-CG2 4.43Å |
| 58 | M | 72.8 | Confident | 80.2 | Confident | 121 Ų | 121 | 76.5 Ų | 76.5 | 60% | 0.596 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 135.4 | 168.8 | -68.4 | -66.6 | -167.1 | 0 | 0 | 108.4 | T63 P64 | M58-T63 WeakPolarHBondContact CA-O 3.46Å; M58-P64 HydrophobicContact SD-CB 4.18Å |
| 59 | D | 67.3 | Low | 80.4 | Confident | 49 Ų | 49 | 76.7 Ų | 76.7 | 26% | 0.262 | 39% | 0.39 | S | S | . | . | trans | -73.3 | -179.8 | 170.8 | 74.8 | 4.8 | 0 | 0 | 0 | 112.2 | Y61 F62 T63 I65 | D59-Y61 PolarHBondContact O-N 3.08Å; D59-Y61 VanDerWaalsContact OD1-C 3.28Å; D59-Y61 VanDerWaalsContact OD1-CA 3.28Å; D59-Y61 WeakPolarHBondContact OD1-CA 3.5Å; D59-Y61 WeakPolarHBondContact OD1-CB 3.42Å; D59-Y61 PolarHBondContact OD1-N 3.15Å; D59-F62 PolarHBondContact O-N 2.92Å; D59-F62 VanDerWaalsContact O-N 3.09Å; D59-F62 PolarHBondContact OD1-N 2.89Å; D59-T63 VanDerWaalsContact CG-CB 3.49Å; D59-T63 PolarHBondContact N-O 2.93Å; D59-T63 WeakPolarHBondContact OD1-CB 3.27Å; D59-T63 PolarHBondContact OD1-N 2.87Å; D59-T63 PolarHBondContact OD1-OG1 2.81Å; D59-T63 VanDerWaalsContact OD2-CB 3.24Å; D59-T63 WeakPolarHBondContact OD2-CB 3.34Å; D59-T63 PolarHBondContact OD2-OG1 2.88Å; D59-I65 HydrophobicContact CB-CD1 4.27Å; D59-I65 HydrophobicContact CB-CG2 4.03Å | ||
| 60 | E | 67.2 | Low | 81.1 | Confident | 171 Ų | 171 | 73.1 Ų | 73.1 | 80% | 0.799 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -14 | 178.3 | -60.4 | -171.7 | 163.9 | 0 | 0 | 113.9 | ||
| 61 | Y | 70.9 | Confident | 81.8 | Confident | 187 Ų | 187 | 69 Ų | 69 | 73% | 0.733 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 7.3 | 179.6 | -57.6 | -74.6 | 0 | 0 | 0 | 113.3 | D59 T63 | D59-Y61 PolarHBondContact O-N 3.08Å; D59-Y61 VanDerWaalsContact OD1-C 3.28Å; D59-Y61 VanDerWaalsContact OD1-CA 3.28Å; D59-Y61 WeakPolarHBondContact OD1-CA 3.5Å; D59-Y61 WeakPolarHBondContact OD1-CB 3.42Å; D59-Y61 PolarHBondContact OD1-N 3.15Å; Y61-T63 VanDerWaalsContact C-N 3.26Å; Y61-T63 PolarHBondContact O-N 2.94Å |
| 62 | F | 69 | Low | 82.1 | Confident | 171 Ų | 171 | 71.8 Ų | 71.8 | 75% | 0.75 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 63.5 | 24.3 | -173.6 | -55.9 | -90.3 | 0 | 0 | 0 | 114.6 | D59 | D59-F62 PolarHBondContact O-N 2.92Å; D59-F62 VanDerWaalsContact O-N 3.09Å; D59-F62 PolarHBondContact OD1-N 2.89Å |
| 63 | T | 73.3 | Confident | 82 | Confident | 71 Ų | 71 | 72 Ų | 72 | 44% | 0.436 | 37% | 0.368 | S | S | . | . | trans | -77.1 | 131.7 | 167.2 | -37 | 0 | 0 | 0 | 0 | 109 | M58 D59 Y61 I65 | M58-T63 WeakPolarHBondContact CA-O 3.46Å; D59-T63 VanDerWaalsContact CG-CB 3.49Å; D59-T63 PolarHBondContact N-O 2.93Å; D59-T63 WeakPolarHBondContact OD1-CB 3.27Å; D59-T63 PolarHBondContact OD1-N 2.87Å; D59-T63 PolarHBondContact OD1-OG1 2.81Å; D59-T63 VanDerWaalsContact OD2-CB 3.24Å; D59-T63 WeakPolarHBondContact OD2-CB 3.34Å; D59-T63 PolarHBondContact OD2-OG1 2.88Å; Y61-T63 VanDerWaalsContact C-N 3.26Å; Y61-T63 PolarHBondContact O-N 2.94Å; T63-I65 PolarHBondContact O-N 2.86Å | ||
| 64 | P | 73.7 | Confident | 81.7 | Confident | 84 Ų | 84 | 75.6 Ų | 75.6 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 120.2 | 172.3 | 27.3 | -33.4 | 0 | 0 | 0 | 109.8 | E57 M58 | E57-P64 WeakPolarHBondContact O-CA 3.05Å; M58-P64 HydrophobicContact SD-CB 4.18Å |
| 65 | I | 76.8 | Confident | 81.6 | Confident | 48 Ų | 48 | 75.7 Ų | 75.7 | 25% | 0.246 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.9 | 174.2 | 55.8 | 167.3 | 0 | 0 | 0 | 109.6 | N56 E57 D59 T63 T67 | N56-I65 WeakPolarHBondContact CA-O 3.33Å; E57-I65 HydrophobicContact CB-CD1 4.28Å; E57-I65 HydrophobicContact CB-CG1 3.95Å; E57-I65 PolarHBondContact N-O 3.45Å; E57-I65 PolarHBondContact O-N 2.91Å; D59-I65 HydrophobicContact CB-CD1 4.27Å; D59-I65 HydrophobicContact CB-CG2 4.03Å; T63-I65 PolarHBondContact O-N 2.86Å; I65-T67 HydrophobicContact CD1-CG2 4.01Å; I65-T67 HydrophobicContact CG1-CG2 4.22Å |
| 66 | H | 84.4 | Confident | 81.2 | Confident | 42 Ų | 42 | 78.8 Ų | 78.8 | 19% | 0.194 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.5 | 174 | -62.6 | -73.5 | 0 | 0 | 0 | 108.4 | G40 W42 N56 | G40-H66 VanDerWaalsContact CA-NE2 3.26Å; G40-H66 WeakPolarHBondContact CA-NE2 3.48Å; G40-H66 PolarHBondContact N-CD2 3.05Å; G40-H66 PolarHBondContact N-NE2 2.68Å; G40-H66 PolarHBondContact O-CD2 2.99Å; G40-H66 VanDerWaalsContact O-CG 3.25Å; W42-H66 WeakPolarHBondContact CZ2-O 3.22Å; W42-H66 PolarHBondContact NE1-O 3.24Å; N56-H66 PolarHBondContact OD1-CE1 2.86Å; N56-H66 VanDerWaalsContact OD1-CE1 3.27Å; N56-H66 PolarHBondContact OD1-ND1 3.38Å |
| 67 | T | 88.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.006 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 156.3 | -176.5 | 69.2 | 0 | 0 | 0 | 0 | 110.1 | A54 I55 E57 I65 L192 T193 | A54-T67 WeakPolarHBondContact CA-O 3.08Å; I55-T67 PolarHBondContact N-O 3.24Å; I55-T67 PolarHBondContact O-N 3.16Å; E57-T67 HydrophobicContact CB-CG2 4.48Å; E57-T67 HydrophobicContact CG-CG2 4.43Å; I65-T67 HydrophobicContact CD1-CG2 4.01Å; I65-T67 HydrophobicContact CG1-CG2 4.22Å; T67-L192 VanDerWaalsContact CA-O 3.27Å; T67-L192 WeakPolarHBondContact CA-O 3.28Å; T67-L192 VanDerWaalsContact CB-O 3.31Å; T67-L192 WeakPolarHBondContact CB-O 3.45Å; T67-T193 HydrophobicContact CG2-CG2 4.21Å |
| 68 | Y | 93.6 | Very high | 82.1 | Confident | 7 Ų | 7 | 76.9 Ų | 76.9 | 3% | 0.027 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127 | 169.3 | -86.1 | -95.2 | 0 | 0 | 0 | 109.4 | D41 W42 W44 T46 W52 D53 A54 L82 A191 L192 | D41-Y68 PolarHBondContact OD1-OH 2.8Å; W42-Y68 HydrophobicContact CB-CE2 4.02Å; W42-Y68 AromaticContact CD2-CD2 3.97Å; W42-Y68 HydrophobicContact CD2-CD2 3.97Å; W42-Y68 AromaticContact CD2-CE2 3.93Å; W42-Y68 HydrophobicContact CD2-CE2 3.93Å; W42-Y68 AromaticContact CE3-CD2 3.43Å; W42-Y68 HydrophobicContact CE3-CD2 3.43Å; W42-Y68 VanDerWaalsContact CE3-CD2 3.43Å; W42-Y68 AromaticContact CE3-CE2 3.65Å; W42-Y68 HydrophobicContact CE3-CE2 3.65Å; W42-Y68 HydrophobicContact CG-CE2 4.12Å; W42-Y68 AromaticContact CZ3-CD2 3.74Å; W42-Y68 HydrophobicContact CZ3-CD2 3.74Å; W42-Y68 HydrophobicContact CZ3-CE2 4.42Å; W44-Y68 HydrophobicContact CB-CE2 4.29Å; W44-Y68 PolarHBondContact N-OH 2.89Å; W44-Y68 VanDerWaalsContact N-OH 3.07Å; W44-Y68 PolarHBondContact O-OH 2.96Å; T46-Y68 HydrophobicContact CG2-CE1 4.11Å; W52-Y68 HydrophobicContact CB-CD1 4.35Å; W52-Y68 WeakPolarHBondContact CZ3-O 3.43Å; D53-Y68 WeakPolarHBondContact O-CA 3.42Å; A54-Y68 HydrophobicContact CB-CD1 4.17Å; A54-Y68 HydrophobicContact CB-CE1 3.75Å; A54-Y68 HydrophobicContact CB-CE2 4.27Å; Y68-L82 HydrophobicContact CD1-CD1 3.5Å; Y68-L82 VanDerWaalsContact CD1-CD1 3.5Å; Y68-L82 HydrophobicContact CD1-CD2 3.99Å; Y68-L82 HydrophobicContact CD1-CG 4.4Å; Y68-L82 HydrophobicContact CD2-CD2 4.43Å; Y68-L82 HydrophobicContact CE1-CD1 3.51Å; Y68-L82 HydrophobicContact CG-CD1 4.04Å; Y68-L82 HydrophobicContact CG-CD2 3.79Å; Y68-A191 CarbonylContact O-C 3.47Å; Y68-A191 WeakPolarHBondContact O-CA 3.49Å; Y68-L192 PolarHBondContact N-O 2.88Å; Y68-L192 VanDerWaalsContact N-O 3.08Å; Y68-L192 PolarHBondContact O-N 3.11Å |
| 69 | Q | 93.3 | Very high | 83.1 | Confident | 64 Ų | 64 | 73.8 Ų | 73.8 | 30% | 0.299 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155.7 | -176.7 | 61.1 | 156.6 | 46.1 | 0 | 0 | 114 | W52 D53 I55 I190 A191 | W52-Q69 WeakPolarHBondContact CA-O 3.46Å; D53-Q69 PolarHBondContact N-O 2.81Å; D53-Q69 PolarHBondContact O-N 2.79Å; I55-Q69 HydrophobicContact CD1-CG 3.82Å; I55-Q69 HydrophobicContact CG1-CG 4Å; Q69-I190 VanDerWaalsContact CA-O 3.25Å; Q69-I190 WeakPolarHBondContact CA-O 3.43Å; Q69-I190 WeakPolarHBondContact CB-O 3.19Å; Q69-A191 HydrophobicContact CB-CB 3.9Å |
| 70 | V | 94.8 | Very high | 84.4 | Confident | 5 Ų | 5 | 71.7 Ų | 71.7 | 3% | 0.03 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 141.1 | 170.9 | 56.8 | 0 | 0 | 0 | 0 | 109.4 | G51 W52 N72 N80 D185 C189 I190 | G51-V70 WeakPolarHBondContact O-CB 3.48Å; G51-V70 WeakPolarHBondContact O-CG2 3.32Å; W52-V70 HydrophobicContact CD2-CB 4.07Å; W52-V70 HydrophobicContact CD2-CG1 3.77Å; W52-V70 HydrophobicContact CE3-CB 4.11Å; W52-V70 HydrophobicContact CE3-CG1 3.75Å; W52-V70 HydrophobicContact CG-CB 4.45Å; W52-V70 HydrophobicContact CH2-CG1 3.69Å; W52-V70 HydrophobicContact CZ2-CG1 3.7Å; W52-V70 HydrophobicContact CZ3-CG1 3.71Å; V70-N72 HydrophobicContact CG2-CB 4.34Å; V70-N80 HydrophobicContact CG2-CB 4.49Å; V70-D185 HydrophobicContact CG1-CB 3.69Å; V70-D185 WeakPolarHBondContact CG2-OD2 3.47Å; V70-C189 CarbonylContact O-C 3.52Å; V70-C189 WeakPolarHBondContact O-CA 3.38Å; V70-I190 HydrophobicContact CG1-CG2 3.56Å; V70-I190 PolarHBondContact N-O 2.96Å; V70-I190 PolarHBondContact O-N 2.82Å |
| 71 | C | 92.8 | Very high | 85.8 | Confident | 57 Ų | 57 | 63.8 Ų | 63.8 | 39% | 0.385 | 34% | 0.342 | S | S | . | . | trans | -147.7 | 43.7 | 178.8 | -166.1 | 0 | 0 | 0 | 0 | 112.2 | V73 A188 C189 | C71-V73 PolarHBondContact O-N 3.36Å; C71-A188 WeakPolarHBondContact CA-O 3.17Å; C71-C189 HydrophobicContact CB-CB 3.93Å; C71-C189 WeakPolarHBondContact CB-SG 3.48Å; C71-C189 WeakPolarHBondContact SG-CB 3.46Å; C71-C189 CovalentContact SG-SG 2.05Å; C71-C189 PolarHBondContact SG-SG 3.21Å | ||
| 72 | N | 91.3 | Very high | 86.9 | Confident | 61 Ų | 61 | 54.9 Ų | 54.9 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | trans | -82 | 35.7 | -173.9 | -68.2 | -20.2 | 0 | 0 | 0 | 113.7 | V70 M74 S75 Q78 | V70-N72 HydrophobicContact CG2-CB 4.34Å; N72-M74 PolarHBondContact O-N 2.84Å; N72-M74 VanDerWaalsContact O-N 3.07Å; N72-S75 PolarHBondContact O-N 3.03Å; N72-Q78 HydrophobicContact CB-CG 4.24Å; N72-Q78 PolarHBondContact ND2-OE1 3.48Å | ||
| 73 | V | 90.1 | Very high | 88.1 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.4 | -168.4 | -65.3 | 0 | 0 | 0 | 0 | 115.9 | C71 M109 V112 T115 C116 C189 | C71-V73 PolarHBondContact O-N 3.36Å; V73-M109 HydrophobicContact CG1-CE 4.12Å; V73-M109 HydrophobicContact CG1-SD 4.43Å; V73-M109 HydrophobicContact CG2-SD 4.03Å; V73-V112 HydrophobicContact CB-CB 4.42Å; V73-V112 HydrophobicContact CB-CG1 4.26Å; V73-V112 HydrophobicContact CG2-CB 4.43Å; V73-V112 HydrophobicContact CG2-CG1 3.78Å; V73-T115 WeakPolarHBondContact O-CB 3.44Å; V73-T115 PolarHBondContact O-OG1 3.29Å; V73-C116 HydrophobicContact CB-CB 4.3Å; V73-C116 HydrophobicContact CG1-CB 4.45Å; V73-C189 HydrophobicContact CG1-CB 3.84Å |
| 74 | M | 85.9 | Confident | 89.1 | Confident | 152 Ų | 152 | 44.4 Ų | 44.4 | 75% | 0.749 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -14 | 179.9 | -64.2 | -175 | -178.7 | 0 | 0 | 113.5 | N72 V112 | N72-M74 PolarHBondContact O-N 2.84Å; N72-M74 VanDerWaalsContact O-N 3.07Å; M74-V112 HydrophobicContact CG-CG1 4.03Å |
| 75 | S | 85.6 | Confident | 90 | Very high | 53 Ų | 53 | 43 Ų | 43 | 37% | 0.371 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -89.9 | 131.6 | -177.1 | -67.9 | 0 | 0 | 0 | 0 | 111.3 | N72 S77 Q78 | N72-S75 PolarHBondContact O-N 3.03Å; S75-S77 VanDerWaalsContact C-N 3.26Å; S75-S77 PolarHBondContact O-N 3.13Å; S75-Q78 VanDerWaalsContact CB-NE2 3.26Å |
| 76 | P | 77.6 | Confident | 90.8 | Very high | 123 Ų | 123 | 44.4 Ų | 44.4 | 80% | 0.799 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -75.6 | -8.9 | -172.8 | 30.4 | -36.7 | 0 | 0 | 0 | 115.1 | T115 | P76-T115 HydrophobicContact CB-CG2 4.06Š|
| 77 | S | 85.2 | Confident | 91.3 | Very high | 102 Ų | 102 | 42.6 Ų | 42.6 | 71% | 0.713 | 24% | 0.241 | S | C | * | . | trans | -143.3 | 125 | 172.6 | -174.6 | 0 | 0 | 0 | 0 | 108.4 | S75 | S75-S77 VanDerWaalsContact C-N 3.26Å; S75-S77 PolarHBondContact O-N 3.13Å | ||
| 78 | Q | 91.5 | Very high | 91.6 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | trans | -134.4 | 147.6 | 179.3 | -71.9 | -62.5 | -77.8 | 0 | 0 | 109.4 | N72 S75 N80 | N72-Q78 HydrophobicContact CB-CG 4.24Å; N72-Q78 PolarHBondContact ND2-OE1 3.48Å; S75-Q78 VanDerWaalsContact CB-NE2 3.26Å; Q78-N80 PolarHBondContact OE1-ND2 2.88Å | ||
| 79 | N | 93.4 | Very high | 91.6 | Very high | 55 Ų | 55 | 46.5 Ų | 46.5 | 29% | 0.294 | 26% | 0.261 | S | S | . | . | trans | -155.6 | 63.3 | -179.5 | -171.5 | 28.9 | 0 | 0 | 0 | 108.6 | W81 E137 Q184 D185 | N79-W81 PolarHBondContact OD1-NE1 3.03Å; N79-E137 PolarHBondContact ND2-OE1 3.43Å; N79-E137 PolarHBondContact ND2-OE2 2.85Å; N79-Q184 PolarHBondContact OD1-NE2 2.87Å; N79-D185 WeakPolarHBondContact CA-O 3.45Å | ||
| 80 | N | 94.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 110.4 | -171.4 | -58.2 | -51.2 | 0 | 0 | 0 | 109.5 | G51 W52 V70 Q78 Q184 D185 | G51-N80 WeakPolarHBondContact CA-OD1 3.24Å; W52-N80 PolarHBondContact NE1-O 3.5Å; V70-N80 HydrophobicContact CG2-CB 4.49Å; Q78-N80 PolarHBondContact OE1-ND2 2.88Å; N80-Q184 CarbonylContact O-C 3.57Å; N80-Q184 WeakPolarHBondContact O-CA 3.31Å; N80-D185 HydrophobicContact CB-CB 4.12Å; N80-D185 PolarHBondContact N-O 3.37Å; N80-D185 PolarHBondContact ND2-OD2 2.88Å; N80-D185 PolarHBondContact O-N 2.93Å |
| 81 | W | 95 | Very high | 90.9 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 2% | 0.019 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 139.1 | -179.7 | -67.6 | 77.9 | 0 | 0 | 0 | 111.9 | T46 Y47 N79 F123 I135 E137 F140 A182 F183 Q184 | T46-W81 CarbonylContact C-O 3.49Å; T46-W81 WeakPolarHBondContact CA-O 3.33Å; Y47-W81 PolarHBondContact N-O 2.78Å; Y47-W81 PolarHBondContact O-N 2.85Å; N79-W81 PolarHBondContact OD1-NE1 3.03Å; W81-F123 HydrophobicContact CH2-CD1 4.11Å; W81-F123 AromaticContact CH2-CD2 3.98Å; W81-F123 HydrophobicContact CH2-CD2 3.98Å; W81-F123 AromaticContact CH2-CE1 3.95Å; W81-F123 HydrophobicContact CH2-CE1 3.95Å; W81-F123 AromaticContact CH2-CE2 3.79Å; W81-F123 HydrophobicContact CH2-CE2 3.79Å; W81-F123 HydrophobicContact CH2-CG 4.15Å; W81-F123 AromaticContact CH2-CZ 3.79Å; W81-F123 HydrophobicContact CH2-CZ 3.79Å; W81-F123 HydrophobicContact CZ3-CB 4.35Å; W81-F123 HydrophobicContact CZ3-CD1 4.29Å; W81-F123 AromaticContact CZ3-CD2 3.82Å; W81-F123 HydrophobicContact CZ3-CD2 3.82Å; W81-F123 HydrophobicContact CZ3-CE2 4.09Å; W81-F123 AromaticContact CZ3-CG 3.94Å; W81-F123 HydrophobicContact CZ3-CG 3.94Å; W81-F123 HydrophobicContact CZ3-CZ 4.46Å; W81-I135 HydrophobicContact CB-CD1 4.09Å; W81-I135 HydrophobicContact CB-CG2 4.28Å; W81-I135 HydrophobicContact CD2-CG2 4.42Å; W81-I135 HydrophobicContact CE3-CG2 4.48Å; W81-I135 HydrophobicContact CG-CG2 4.35Å; W81-E137 HydrophobicContact CZ2-CB 4Å; W81-E137 HydrophobicContact CZ2-CG 3.9Å; W81-E137 PolarHBondContact NE1-OE2 2.81Å; W81-F140 HydrophobicContact CH2-CB 4.37Å; W81-F140 HydrophobicContact CZ3-CB 4.15Å; W81-F140 HydrophobicContact CZ3-CD2 4.27Å; W81-F140 HydrophobicContact CZ3-CG 4.12Å; W81-A182 HydrophobicContact CE3-CB 3.98Å; W81-A182 HydrophobicContact CZ3-CB 4.17Å; W81-F183 CarbonylContact C-O 3.58Å; W81-F183 WeakPolarHBondContact CA-O 3.45Å; W81-Q184 HydrophobicContact CD2-CB 4.16Å; W81-Q184 HydrophobicContact CD2-CG 4.26Å; W81-Q184 HydrophobicContact CE3-CB 4.26Å; W81-Q184 HydrophobicContact CH2-CB 4.46Å; W81-Q184 HydrophobicContact CZ2-CB 4.36Å; W81-Q184 HydrophobicContact CZ2-CG 4.11Å; W81-Q184 HydrophobicContact CZ3-CB 4.41Å |
| 82 | L | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125.4 | 169.2 | 171.6 | 69.1 | 0 | 0 | 0 | 108.1 | W44 L45 T46 W52 Y68 A182 F183 L192 | W44-L82 HydrophobicContact CB-CD1 3.68Å; W44-L82 HydrophobicContact CE3-CD1 4.13Å; W44-L82 HydrophobicContact CE3-CD2 3.88Å; W44-L82 HydrophobicContact CE3-CG 3.85Å; W44-L82 HydrophobicContact CZ3-CD2 4.27Å; L45-L82 CarbonylContact O-C 3.54Å; L45-L82 WeakPolarHBondContact O-CA 3.41Å; T46-L82 HydrophobicContact CG2-CD1 3.83Å; W52-L82 HydrophobicContact CB-CB 4.37Å; W52-L82 HydrophobicContact CD2-CB 4.06Å; W52-L82 HydrophobicContact CD2-CD2 4.21Å; W52-L82 HydrophobicContact CE3-CD2 4.22Å; W52-L82 HydrophobicContact CG-CB 3.81Å; Y68-L82 HydrophobicContact CD1-CD1 3.5Å; Y68-L82 VanDerWaalsContact CD1-CD1 3.5Å; Y68-L82 HydrophobicContact CD1-CD2 3.99Å; Y68-L82 HydrophobicContact CD1-CG 4.4Å; Y68-L82 HydrophobicContact CD2-CD2 4.43Å; Y68-L82 HydrophobicContact CE1-CD1 3.51Å; Y68-L82 HydrophobicContact CG-CD1 4.04Å; Y68-L82 HydrophobicContact CG-CD2 3.79Å; L82-A182 CarbonylContact O-C 3.59Å; L82-A182 WeakPolarHBondContact O-CA 3.36Å; L82-F183 HydrophobicContact CB-CB 4.34Å; L82-F183 HydrophobicContact CD2-CD2 4.4Å; L82-F183 PolarHBondContact N-O 2.82Å; L82-F183 PolarHBondContact O-N 3.32Å; L82-L192 HydrophobicContact CD2-CD1 3.71Å |
| 83 | R | 94 | Very high | 90.8 | Very high | 21 Ų | 21 | 53.1 Ų | 53.1 | 8% | 0.079 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.3 | -176.9 | -169.2 | -158.8 | 79.2 | -175.2 | 8.7 | 111.8 | W44 L45 G132 I135 F140 Y180 L181 A182 | W44-R83 WeakPolarHBondContact CA-O 3.21Å; W44-R83 VanDerWaalsContact CB-O 3.29Å; W44-R83 WeakPolarHBondContact CB-O 3.38Å; L45-R83 VanDerWaalsContact CD1-NH2 3.3Å; L45-R83 PolarHBondContact N-O 2.86Å; L45-R83 PolarHBondContact O-N 2.96Å; R83-G132 PolarHBondContact NH1-O 3.47Å; R83-I135 HydrophobicContact CB-CD1 3.78Å; R83-I135 HydrophobicContact CB-CG1 4.02Å; R83-F140 HydrophobicContact CG-CE1 4.32Å; R83-F140 HydrophobicContact CG-CZ 3.89Å; R83-Y180 HydrophobicContact CG-CD1 4.27Å; R83-L181 WeakPolarHBondContact CA-O 3.21Å; R83-L181 WeakPolarHBondContact CG-O 3.24Å; R83-A182 HydrophobicContact CB-CB 4.41Å; R83-A182 HydrophobicContact CG-CB 4.39Å |
| 84 | S | 94.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 171 | 174.9 | 74.5 | 0 | 0 | 0 | 0 | 113.8 | Y180 L181 | S84-Y180 WeakPolarHBondContact O-CD1 3.48Å; S84-L181 PolarHBondContact N-O 2.71Å; S84-L181 PolarHBondContact OG-N 2.94Å; S84-L181 PolarHBondContact OG-O 2.69Å |
| 85 | S | 92.4 | Very high | 91.3 | Very high | 56 Ų | 56 | 47.6 Ų | 47.6 | 39% | 0.392 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 170.3 | 155.7 | 55.7 | 0 | 0 | 0 | 0 | 111.4 | Y180 | S85-Y180 WeakPolarHBondContact O-CD1 3.34Š|
| 86 | W | 94 | Very high | 91.7 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 29% | 0.292 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -78.4 | 124.6 | 176.9 | -177.8 | 78.4 | 0 | 0 | 0 | 110 | P88 S127 A130 R177 Y180 | W86-P88 HydrophobicContact CH2-CB 4.31Å; W86-P88 HydrophobicContact CZ3-CB 4.03Å; W86-S127 PolarHBondContact NE1-O 3.17Å; W86-A130 HydrophobicContact CB-CB 4.11Å; W86-A130 HydrophobicContact CG-CB 4.27Å; W86-R177 HydrophobicContact CZ2-CB 4.27Å; W86-Y180 HydrophobicContact CB-CD1 4.45Å; W86-Y180 HydrophobicContact CB-CE1 3.72Å; W86-Y180 HydrophobicContact CB-CE2 4.34Å; W86-Y180 AromaticContact CD1-CE2 3.61Å; W86-Y180 AromaticContact CD1-CZ 3.81Å; W86-Y180 HydrophobicContact CG-CE2 4.37Å |
| 87 | I | 95.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.015 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 121.8 | -175.4 | -55.2 | 167.8 | 0 | 0 | 0 | 108.4 | L32 L33 G178 F179 L181 V197 | L32-I87 HydrophobicContact CB-CG2 3.71Å; L33-I87 HydrophobicContact CB-CD1 4.25Å; L33-I87 HydrophobicContact CB-CG1 4.48Å; L33-I87 HydrophobicContact CD2-CD1 3.57Å; L33-I87 HydrophobicContact CD2-CG1 4.14Å; I87-G178 CarbonylContact O-C 3.59Å; I87-G178 WeakPolarHBondContact O-CA 3.33Å; I87-F179 HydrophobicContact CB-CD2 4.35Å; I87-F179 HydrophobicContact CB-CE1 4.2Å; I87-F179 HydrophobicContact CB-CE2 3.91Å; I87-F179 HydrophobicContact CB-CZ 3.8Å; I87-F179 HydrophobicContact CD1-CD2 4.31Å; I87-F179 HydrophobicContact CD1-CE2 3.66Å; I87-F179 HydrophobicContact CD1-CZ 4.21Å; I87-F179 HydrophobicContact CG1-CE2 4.36Å; I87-F179 HydrophobicContact CG2-CE1 3.99Å; I87-F179 HydrophobicContact CG2-CE2 4.07Å; I87-F179 HydrophobicContact CG2-CZ 3.52Å; I87-F179 PolarHBondContact N-O 2.7Å; I87-F179 PolarHBondContact O-N 2.91Å; I87-L181 HydrophobicContact CD1-CD1 4.48Å; I87-L181 HydrophobicContact CD1-CG 4.25Å; I87-V197 HydrophobicContact CD1-CG2 4.16Å |
| 88 | P | 94.9 | Very high | 93.2 | Very high | 47 Ų | 47 | 37.1 Ų | 37.1 | 31% | 0.305 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 147.2 | 174.2 | 30.4 | -34.3 | 0 | 0 | 0 | 110.6 | W86 E90 | W86-P88 HydrophobicContact CH2-CB 4.31Å; W86-P88 HydrophobicContact CZ3-CB 4.03Å; P88-E90 HydrophobicContact CB-CG 4.35Å; P88-E90 HydrophobicContact CG-CG 4.45Å |
| 89 | R | 92.7 | Very high | 93.4 | Very high | 43 Ų | 43 | 35.3 Ų | 35.3 | 16% | 0.162 | 17% | 0.173 | C | C | . | . | trans | -85.2 | -22.4 | -176.4 | -172.3 | 169.9 | 70.6 | 81.6 | -9 | 114.5 | G91 A92 L174 R176 R177 | R89-G91 VanDerWaalsContact NH1-C 3.3Å; R89-G91 PolarHBondContact NH1-O 3.31Å; R89-G91 PolarHBondContact O-N 3.3Å; R89-A92 WeakPolarHBondContact CD-O 3.44Å; R89-A92 HydrophobicContact CG-CB 4.1Å; R89-A92 WeakPolarHBondContact CG-O 3.42Å; R89-A92 PolarHBondContact NH1-O 2.89Å; R89-A92 WeakPolarHBondContact O-CB 3.09Å; R89-A92 PolarHBondContact O-N 3.25Å; R89-L174 HydrophobicContact CG-CB 4.48Å; R89-L174 HydrophobicContact CG-CD1 4.3Å; R89-R176 WeakPolarHBondContact CD-O 3.41Å; R89-R176 PolarHBondContact NE-O 2.8Å; R89-R177 WeakPolarHBondContact CB-O 3.21Å; R89-R177 PolarHBondContact N-O 3.12Å | ||
| 90 | E | 88.3 | Confident | 93.5 | Very high | 126 Ų | 126 | 35.6 Ų | 35.6 | 59% | 0.589 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 29.3 | -179.5 | -52.9 | -156.2 | 154.1 | 0 | 0 | 115.7 | L32 P88 Y199 | L32-E90 HydrophobicContact CD2-CB 3.95Å; L32-E90 HydrophobicContact CD2-CG 3.92Å; P88-E90 HydrophobicContact CB-CG 4.35Å; P88-E90 HydrophobicContact CG-CG 4.45Å; E90-Y199 HydrophobicContact CB-CE1 4.4Å |
| 91 | G | 84.7 | Confident | 93.4 | Very high | 43 Ų | 43 | 35.3 Ų | 35.3 | 44% | 0.443 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -13.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R89 R93 | R89-G91 VanDerWaalsContact NH1-C 3.3Å; R89-G91 PolarHBondContact NH1-O 3.31Å; R89-G91 PolarHBondContact O-N 3.3Å; G91-R93 PolarHBondContact O-N 2.93Å |
| 92 | A | 91.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -50.9 | 116.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L32 R89 I95 Y199 | L32-A92 HydrophobicContact CD1-CB 4.46Å; R89-A92 WeakPolarHBondContact CD-O 3.44Å; R89-A92 HydrophobicContact CG-CB 4.1Å; R89-A92 WeakPolarHBondContact CG-O 3.42Å; R89-A92 PolarHBondContact NH1-O 2.89Å; R89-A92 WeakPolarHBondContact O-CB 3.09Å; R89-A92 PolarHBondContact O-N 3.25Å; A92-I95 HydrophobicContact CB-CG2 4.11Å; A92-Y199 VanDerWaalsContact CB-CB 3.41Å; A92-Y199 HydrophobicContact CB-CD1 3.74Å; A92-Y199 HydrophobicContact CB-CD2 3.98Å; A92-Y199 HydrophobicContact CB-CE1 4.45Å; A92-Y199 HydrophobicContact CB-CG 3.45Å; A92-Y199 VanDerWaalsContact CB-CG 3.45Å | ||
| 93 | R | 90.3 | Very high | 93.2 | Very high | 158 Ų | 158 | 35.7 Ų | 35.7 | 60% | 0.596 | 17% | 0.173 | S | C | * | . | S | Bend | trans | -80 | -27.8 | 175.2 | -67.5 | -172.6 | 177.6 | -151.8 | 1.4 | 112.4 | G91 P173 L174 A219 | G91-R93 PolarHBondContact O-N 2.93Å; R93-P173 WeakPolarHBondContact O-CA 3.29Å; R93-L174 PolarHBondContact O-N 2.81Å; R93-A219 HydrophobicContact CB-CB 4.22Å |
| 94 | R | 92.5 | Very high | 93.1 | Very high | 43 Ų | 43 | 37.6 Ų | 37.6 | 16% | 0.162 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -130.7 | 138.9 | 174.6 | -168.1 | -176.9 | -172.1 | 86.1 | 2.9 | 108.5 | Y96 V171 Y199 A219 | R94-Y96 HydrophobicContact CG-CE2 4.44Å; R94-V171 CarbonylContact C-O 3.55Å; R94-V171 WeakPolarHBondContact CA-O 3.11Å; R94-Y199 WeakPolarHBondContact O-CB 3.25Å; R94-A219 WeakPolarHBondContact CD-O 3.38Å; R94-A219 PolarHBondContact NH1-O 3.24Å |
| 95 | I | 94.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 160.4 | 171.4 | 59.1 | 169.8 | 0 | 0 | 0 | 110 | L32 A92 I97 G170 V171 L174 F179 V197 Y198 | L32-I95 HydrophobicContact CD1-CG2 3.65Å; A92-I95 HydrophobicContact CB-CG2 4.11Å; I95-I97 HydrophobicContact CD1-CD1 4.27Å; I95-I97 HydrophobicContact CD1-CG1 4.22Å; I95-G170 CarbonylContact O-C 3.6Å; I95-G170 VanDerWaalsContact O-CA 3.26Å; I95-G170 WeakPolarHBondContact O-CA 3.41Å; I95-V171 HydrophobicContact CD1-CB 4.31Å; I95-V171 HydrophobicContact CG1-CB 3.9Å; I95-V171 PolarHBondContact N-O 2.84Å; I95-V171 PolarHBondContact O-N 2.81Å; I95-L174 HydrophobicContact CB-CD1 4.35Å; I95-L174 HydrophobicContact CD1-CD1 3.91Å; I95-L174 HydrophobicContact CG1-CD1 3.83Å; I95-L174 HydrophobicContact CG2-CD1 3.72Å; I95-F179 HydrophobicContact CD1-CD1 4.47Å; I95-F179 HydrophobicContact CD1-CD2 4Å; I95-F179 HydrophobicContact CD1-CE1 3.97Å; I95-F179 HydrophobicContact CD1-CE2 3.4Å; I95-F179 VanDerWaalsContact CD1-CE2 3.4Å; I95-F179 HydrophobicContact CD1-CZ 3.41Å; I95-F179 VanDerWaalsContact CD1-CZ 3.41Å; I95-F179 HydrophobicContact CG2-CE1 4.18Å; I95-F179 HydrophobicContact CG2-CZ 4.18Å; I95-V197 HydrophobicContact CB-CG1 4.27Å; I95-V197 HydrophobicContact CD1-CG1 4.06Å; I95-Y198 CarbonylContact C-O 3.54Å; I95-Y198 WeakPolarHBondContact CA-O 3.45Å |
| 96 | Y | 95.2 | Very high | 92.7 | Very high | 31 Ų | 31 | 37 Ų | 37 | 12% | 0.122 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.7 | 172.5 | -61.4 | -95.5 | 0 | 0 | 0 | 107.7 | R94 R169 V197 Y198 K200 A247 | R94-Y96 HydrophobicContact CG-CE2 4.44Å; Y96-R169 WeakPolarHBondContact CA-O 3.45Å; Y96-V197 WeakPolarHBondContact O-CA 3.34Å; Y96-Y198 HydrophobicContact CD2-CD2 4.37Å; Y96-Y198 HydrophobicContact CD2-CE2 4.06Å; Y96-Y198 AromaticContact CG-CE2 3.97Å; Y96-Y198 HydrophobicContact CG-CE2 3.97Å; Y96-Y198 PolarHBondContact N-O 3.22Å; Y96-Y198 PolarHBondContact O-N 2.99Å; Y96-K200 HydrophobicContact CD2-CD 4.4Å; Y96-K200 HydrophobicContact CD2-CG 4.02Å; Y96-K200 HydrophobicContact CE2-CB 4.32Å; Y96-K200 HydrophobicContact CE2-CD 3.88Å; Y96-K200 HydrophobicContact CE2-CG 3.69Å; Y96-A247 PolarHBondContact OH-O 3.46Å |
| 97 | I | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 106.6 | -177.1 | -55.3 | 160.1 | 0 | 0 | 0 | 105.9 | I95 V99 L122 I143 V168 R169 V171 L181 V195 V197 | I95-I97 HydrophobicContact CD1-CD1 4.27Å; I95-I97 HydrophobicContact CD1-CG1 4.22Å; I97-V99 HydrophobicContact CG2-CG2 3.94Å; I97-L122 HydrophobicContact CD1-CD2 4.45Å; I97-L122 HydrophobicContact CG2-CD2 4.24Å; I97-I143 HydrophobicContact CD1-CD1 3.63Å; I97-V168 CarbonylContact O-C 3.58Å; I97-V168 VanDerWaalsContact O-CA 3.3Å; I97-V168 WeakPolarHBondContact O-CA 3.32Å; I97-R169 PolarHBondContact N-O 2.71Å; I97-R169 PolarHBondContact O-N 2.91Å; I97-V171 HydrophobicContact CD1-CG2 3.76Å; I97-L181 HydrophobicContact CD1-CD1 4.12Å; I97-L181 HydrophobicContact CD1-CD2 3.52Å; I97-L181 HydrophobicContact CD1-CG 4.49Å; I97-L181 HydrophobicContact CG1-CD1 4.05Å; I97-L181 HydrophobicContact CG1-CD2 4.25Å; I97-L181 HydrophobicContact CG2-CD1 3.66Å; I97-V195 HydrophobicContact CG2-CG1 4.44Å; I97-V197 HydrophobicContact CG1-CG1 4.23Å; I97-V197 HydrophobicContact CG1-CG2 4.48Å; I97-V197 HydrophobicContact CG2-CG2 4.46Å |
| 98 | E | 97.3 | Very high | 92 | Very high | 26 Ų | 26 | 40.2 Ų | 40.2 | 12% | 0.121 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 125.8 | 171.6 | 177.7 | -176 | 133.5 | 0 | 0 | 108.4 | K100 T166 E167 V168 V195 R196 Y198 | E98-K100 WeakPolarHBondContact OE1-CE 3.44Å; E98-K100 IonicContact OE1-NZ 2.72Å; E98-K100 PolarHBondContact OE1-NZ 2.69Å; E98-T166 HydrophobicContact CG-CG2 3.97Å; E98-E167 CarbonylContact C-O 3.49Å; E98-E167 WeakPolarHBondContact CA-O 3.44Å; E98-V168 HydrophobicContact CB-CG2 4.11Å; E98-V168 HydrophobicContact CG-CG2 4.14Å; E98-V195 WeakPolarHBondContact O-CA 3.32Å; E98-R196 HydrophobicContact CB-CB 4.27Å; E98-R196 PolarHBondContact N-O 3.42Å; E98-R196 PolarHBondContact O-N 3.35Å; E98-R196 IonicContact OE2-NH1 2.68Å; E98-Y198 HydrophobicContact CB-CE1 4.41Å |
| 99 | V | 95.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.4 | 179.8 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | I97 F101 F120 T166 E167 F183 L192 V195 | I97-V99 HydrophobicContact CG2-CG2 3.94Å; V99-F101 HydrophobicContact CG1-CD1 4.21Å; V99-F120 HydrophobicContact CG1-CZ 4.25Å; V99-T166 WeakPolarHBondContact O-CA 3.48Å; V99-E167 PolarHBondContact N-O 3.24Å; V99-E167 PolarHBondContact O-N 3.03Å; V99-F183 HydrophobicContact CG1-CE1 4.03Å; V99-F183 HydrophobicContact CG2-CE1 3.95Å; V99-F183 HydrophobicContact CG2-CZ 4.42Å; V99-L192 HydrophobicContact CG1-CD2 3.81Å; V99-V195 HydrophobicContact CG1-CG2 4.4Å |
| 100 | K | 93.9 | Very high | 91 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 27% | 0.265 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 134 | 171.3 | -56.8 | -173.9 | 174.2 | 145.4 | 0 | 109.7 | E98 L164 N165 T166 T193 S194 | E98-K100 WeakPolarHBondContact OE1-CE 3.44Å; E98-K100 IonicContact OE1-NZ 2.72Å; E98-K100 PolarHBondContact OE1-NZ 2.69Å; K100-L164 HydrophobicContact CB-CD1 4.14Å; K100-N165 VanDerWaalsContact CA-O 3.25Å; K100-N165 WeakPolarHBondContact CA-O 3.22Å; K100-T166 HydrophobicContact CG-CG2 4.07Å; K100-T193 VanDerWaalsContact C-OG1 3.26Å; K100-T193 WeakPolarHBondContact CB-OG1 3.49Å; K100-T193 PolarHBondContact O-N 2.99Å; K100-T193 PolarHBondContact O-OG1 3.09Å; K100-T193 VanDerWaalsContact O-OG1 3.08Å; K100-S194 PolarHBondContact N-O 2.7Å; K100-S194 PolarHBondContact O-N 2.98Å |
| 101 | F | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 159.3 | -174.1 | 67.6 | -80.4 | 0 | 0 | 0 | 112.6 | V99 L103 F120 I146 A147 A148 N165 E167 I190 A191 L192 | V99-F101 HydrophobicContact CG1-CD1 4.21Å; F101-L103 HydrophobicContact CD2-CB 4.28Å; F101-L103 HydrophobicContact CE2-CB 4.17Å; F101-L103 HydrophobicContact CE2-CD1 4.37Å; F101-F120 HydrophobicContact CD1-CE1 4.18Å; F101-F120 HydrophobicContact CD1-CZ 4.28Å; F101-F120 AromaticContact CD2-CE1 3.97Å; F101-F120 HydrophobicContact CD2-CE1 3.97Å; F101-F120 HydrophobicContact CE1-CE1 4.07Å; F101-F120 HydrophobicContact CE1-CZ 4.33Å; F101-F120 AromaticContact CE2-CE1 3.85Å; F101-F120 HydrophobicContact CE2-CE1 3.85Å; F101-F120 HydrophobicContact CG-CE1 4.14Å; F101-F120 AromaticContact CZ-CE1 3.91Å; F101-F120 HydrophobicContact CZ-CE1 3.91Å; F101-I146 HydrophobicContact CE1-CG2 3.82Å; F101-I146 HydrophobicContact CZ-CG2 3.83Å; F101-A147 WeakPolarHBondContact CZ-O 3.34Å; F101-A148 HydrophobicContact CE2-CB 4.02Å; F101-A148 HydrophobicContact CZ-CB 4.39Å; F101-N165 HydrophobicContact CD1-CB 4.08Å; F101-N165 HydrophobicContact CD2-CB 4.35Å; F101-N165 HydrophobicContact CE1-CB 3.68Å; F101-N165 HydrophobicContact CE2-CB 3.98Å; F101-N165 HydrophobicContact CG-CB 4.39Å; F101-N165 HydrophobicContact CZ-CB 3.62Å; F101-N165 PolarHBondContact N-O 2.95Å; F101-N165 VanDerWaalsContact N-O 3.11Å; F101-N165 WeakPolarHBondContact O-CB 3.33Å; F101-N165 PolarHBondContact O-N 2.94Å; F101-E167 HydrophobicContact CE1-CB 4.17Å; F101-E167 HydrophobicContact CE1-CG 3.86Å; F101-E167 HydrophobicContact CZ-CG 4.34Å; F101-I190 HydrophobicContact CB-CD1 4.18Å; F101-I190 HydrophobicContact CB-CG1 4.31Å; F101-I190 HydrophobicContact CD2-CD1 3.67Å; F101-I190 HydrophobicContact CD2-CG1 4.14Å; F101-I190 HydrophobicContact CE2-CD1 4.38Å; F101-I190 HydrophobicContact CG-CD1 4.12Å; F101-A191 CarbonylContact C-O 3.49Å; F101-A191 WeakPolarHBondContact CA-O 3.32Å; F101-A191 VanDerWaalsContact CB-O 3.31Å; F101-A191 WeakPolarHBondContact CB-O 3.41Å; F101-L192 HydrophobicContact CB-CD2 3.9Å |
| 102 | T | 91.6 | Very high | 90.7 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 7% | 0.074 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 146.9 | 168.6 | 70.9 | 0 | 0 | 0 | 0 | 109.3 | L162 K163 L164 I190 A191 T193 | T102-L162 HydrophobicContact CG2-CB 4.35Å; T102-K163 WeakPolarHBondContact CA-O 3.23Å; T102-K163 WeakPolarHBondContact CG2-O 3.35Å; T102-L164 HydrophobicContact CG2-CD1 4.24Å; T102-I190 WeakPolarHBondContact O-CA 3.48Å; T102-I190 WeakPolarHBondContact O-CG1 3.41Å; T102-A191 PolarHBondContact N-O 3.43Å; T102-A191 PolarHBondContact O-N 3.48Å; T102-T193 HydrophobicContact CG2-CG2 4.42Å |
| 103 | L | 93.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 135.7 | -179.9 | -171.6 | 143 | 0 | 0 | 0 | 110.7 | F101 E118 A148 S151 F152 | F101-L103 HydrophobicContact CD2-CB 4.28Å; F101-L103 HydrophobicContact CE2-CB 4.17Å; F101-L103 HydrophobicContact CE2-CD1 4.37Å; L103-E118 WeakPolarHBondContact CD1-O 3.19Å; L103-E118 HydrophobicContact CD2-CB 3.88Å; L103-E118 HydrophobicContact CD2-CG 4.23Å; L103-A148 HydrophobicContact CB-CB 3.88Å; L103-A148 HydrophobicContact CD1-CB 4.4Å; L103-A148 HydrophobicContact CD2-CB 4.24Å; L103-A148 HydrophobicContact CG-CB 4.39Å; L103-S151 CarbonylContact O-C 3.48Å; L103-S151 VanDerWaalsContact O-CA 3.27Å; L103-S151 WeakPolarHBondContact O-CA 3.34Å; L103-F152 VanDerWaalsContact C-CE1 3.46Å; L103-F152 WeakPolarHBondContact O-CD1 3.49Å; L103-F152 WeakPolarHBondContact O-CE1 3.38Å; L103-F152 PolarHBondContact O-N 3Å |
| 104 | R | 91.1 | Very high | 89.2 | Confident | 61 Ų | 61 | 41.2 Ų | 41.2 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -93.9 | 132.6 | -179.1 | -171.2 | 174.8 | 173 | 174.5 | -3.6 | 112 | C106 S108 M109 F152 C189 | R104-C106 PolarHBondContact O-N 3.33Å; R104-S108 WeakPolarHBondContact CG-OG 3.4Å; R104-S108 PolarHBondContact NE-OG 3.45Å; R104-S108 PolarHBondContact NH2-O 2.76Å; R104-M109 HydrophobicContact CB-CE 4.41Å; R104-M109 HydrophobicContact CG-CE 4.21Å; R104-M109 HydrophobicContact CG-SD 4.36Å; R104-F152 HydrophobicContact CB-CD2 4.3Å; R104-F152 HydrophobicContact CB-CE1 4.09Å; R104-F152 HydrophobicContact CB-CE2 3.72Å; R104-F152 HydrophobicContact CB-CZ 3.61Å; R104-F152 HydrophobicContact CG-CD2 4.1Å; R104-F152 HydrophobicContact CG-CE2 3.7Å; R104-F152 HydrophobicContact CG-CZ 4.14Å; R104-C189 HydrophobicContact CB-CB 4.04Å; R104-C189 PolarHBondContact N-O 3.13Å |
| 105 | D | 89.5 | Confident | 89 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 14% | 0.144 | 25% | 0.254 | C | S | . | . | trans | -57.8 | 125.8 | 174.4 | 170.9 | 9.9 | 0 | 0 | 0 | 111 | N107 S108 E118 F152 T153 | D105-N107 PolarHBondContact O-N 2.63Å; D105-N107 WeakPolarHBondContact OD1-CA 3.41Å; D105-N107 VanDerWaalsContact OD1-CB 3.24Å; D105-N107 WeakPolarHBondContact OD1-CB 3.42Å; D105-N107 PolarHBondContact OD1-N 2.84Å; D105-N107 PolarHBondContact OD1-ND2 3.21Å; D105-S108 VanDerWaalsContact O-CB 3.32Å; D105-S108 WeakPolarHBondContact O-CB 3.26Å; D105-S108 PolarHBondContact O-N 3.12Å; D105-S108 PolarHBondContact O-OG 3.01Å; D105-E118 WeakPolarHBondContact CA-OE1 3.49Å; D105-F152 PolarHBondContact N-O 3Å; D105-T153 HydrophobicContact CB-CG2 4.29Å | ||
| 106 | C | 90.1 | Very high | 88.8 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 11% | 0.108 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -62.6 | -30.6 | 178.4 | -74.7 | 0 | 0 | 0 | 0 | 112.8 | R104 S108 M109 C116 K117 E118 | R104-C106 PolarHBondContact O-N 3.33Å; C106-S108 PolarHBondContact O-N 3.09Å; C106-M109 PolarHBondContact O-N 3.48Å; C106-C116 VanDerWaalsContact CA-SG 3.54Å; C106-C116 HydrophobicContact CB-CB 3.78Å; C106-C116 WeakPolarHBondContact CB-SG 3.43Å; C106-C116 VanDerWaalsContact SG-C 3.52Å; C106-C116 WeakPolarHBondContact SG-CB 3.44Å; C106-C116 CovalentContact SG-SG 2.04Å; C106-C116 PolarHBondContact SG-SG 3.47Å; C106-K117 PolarHBondContact SG-N 2.74Å; C106-E118 HydrophobicContact CB-CG 4.17Å; C106-E118 PolarHBondContact N-OE1 2.9Å; C106-E118 WeakPolarHBondContact SG-CG 3.25Å |
| 107 | N | 87.8 | Confident | 88.7 | Confident | 123 Ų | 123 | 43.9 Ų | 43.9 | 66% | 0.658 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -70.4 | -20.1 | 176.1 | -52.9 | -77.7 | 0 | 0 | 0 | 112.1 | D105 M109 | D105-N107 PolarHBondContact O-N 2.63Å; D105-N107 WeakPolarHBondContact OD1-CA 3.41Å; D105-N107 VanDerWaalsContact OD1-CB 3.24Å; D105-N107 WeakPolarHBondContact OD1-CB 3.42Å; D105-N107 PolarHBondContact OD1-N 2.84Å; D105-N107 PolarHBondContact OD1-ND2 3.21Å; N107-M109 PolarHBondContact O-N 3.28Å |
| 108 | S | 86.4 | Confident | 88.4 | Confident | 26 Ų | 26 | 47.5 Ų | 47.5 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -79.8 | 3.5 | 175.2 | 84.5 | 0 | 0 | 0 | 0 | 114.2 | R104 D105 C106 | R104-S108 WeakPolarHBondContact CG-OG 3.4Å; R104-S108 PolarHBondContact NE-OG 3.45Å; R104-S108 PolarHBondContact NH2-O 2.76Å; D105-S108 VanDerWaalsContact O-CB 3.32Å; D105-S108 WeakPolarHBondContact O-CB 3.26Å; D105-S108 PolarHBondContact O-N 3.12Å; D105-S108 PolarHBondContact O-OG 3.01Å; C106-S108 PolarHBondContact O-N 3.09Å |
| 109 | M | 85.3 | Confident | 88.2 | Confident | 16 Ų | 16 | 48.1 Ų | 48.1 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -123 | 119.3 | -176.1 | -70.6 | -175.6 | -75.2 | 0 | 0 | 110.8 | V73 R104 C106 N107 V112 C116 C189 | V73-M109 HydrophobicContact CG1-CE 4.12Å; V73-M109 HydrophobicContact CG1-SD 4.43Å; V73-M109 HydrophobicContact CG2-SD 4.03Å; R104-M109 HydrophobicContact CB-CE 4.41Å; R104-M109 HydrophobicContact CG-CE 4.21Å; R104-M109 HydrophobicContact CG-SD 4.36Å; C106-M109 PolarHBondContact O-N 3.48Å; N107-M109 PolarHBondContact O-N 3.28Å; M109-V112 HydrophobicContact CB-CG1 4.46Å; M109-V112 HydrophobicContact CB-CG2 3.53Å; M109-C116 VanDerWaalsContact CE-SG 3.51Å; M109-C189 HydrophobicContact CE-CB 4.08Å; M109-C189 HydrophobicContact SD-CB 4.33Å |
| 110 | P | 81.6 | Confident | 88.2 | Confident | 118 Ų | 118 | 48.1 Ų | 48.1 | 77% | 0.766 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 135.3 | 179.7 | 29.3 | -33.7 | 0 | 0 | 0 | 111.2 | ||
| 111 | G | 80.3 | Confident | 88.4 | Confident | 82 Ų | 82 | 45.8 Ų | 45.8 | 85% | 0.845 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 7.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 112 | V | 85.6 | Confident | 88.6 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | trans | -109.5 | 10.1 | -176.6 | -53.4 | 0 | 0 | 0 | 0 | 114.5 | V73 M74 M109 G114 T115 C116 | V73-V112 HydrophobicContact CB-CB 4.42Å; V73-V112 HydrophobicContact CB-CG1 4.26Å; V73-V112 HydrophobicContact CG2-CB 4.43Å; V73-V112 HydrophobicContact CG2-CG1 3.78Å; M74-V112 HydrophobicContact CG-CG1 4.03Å; M109-V112 HydrophobicContact CB-CG1 4.46Å; M109-V112 HydrophobicContact CB-CG2 3.53Å; V112-G114 PolarHBondContact O-N 3.3Å; V112-G114 VanDerWaalsContact O-N 3.14Å; V112-T115 PolarHBondContact O-N 3.14Å; V112-T115 PolarHBondContact O-OG1 2.9Å; V112-C116 HydrophobicContact CB-CB 3.95Å; V112-C116 HydrophobicContact CG2-CB 3.62Å; V112-C116 WeakPolarHBondContact O-CB 3.49Å; V112-C116 PolarHBondContact O-N 2.94Å | ||
| 113 | L | 72.7 | Confident | 88.8 | Confident | 151 Ų | 151 | 46.3 Ų | 46.3 | 79% | 0.791 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 112.1 | 179.6 | -75.5 | 165.1 | 0 | 0 | 0 | 110.7 | ||
| 114 | G | 77.6 | Confident | 88.9 | Confident | 68 Ų | 68 | 47.9 Ų | 47.9 | 70% | 0.701 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.6 | -30.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V112 | V112-G114 PolarHBondContact O-N 3.3Å; V112-G114 VanDerWaalsContact O-N 3.14Å |
| 115 | T | 87.9 | Confident | 89.1 | Confident | 35 Ų | 35 | 47 Ų | 47 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -38.3 | 176.9 | 55.6 | 0 | 0 | 0 | 0 | 112.3 | V73 P76 V112 | V73-T115 WeakPolarHBondContact O-CB 3.44Å; V73-T115 PolarHBondContact O-OG1 3.29Å; P76-T115 HydrophobicContact CB-CG2 4.06Å; V112-T115 PolarHBondContact O-N 3.14Å; V112-T115 PolarHBondContact O-OG1 2.9Å |
| 116 | C | 91.4 | Very high | 89.3 | Confident | 12 Ų | 12 | 47.1 Ų | 47.1 | 8% | 0.081 | 29% | 0.286 | C | S | . | . | trans | -65.3 | 146.2 | 179.8 | -172.3 | 0 | 0 | 0 | 0 | 113.2 | V73 C106 M109 V112 G187 | V73-C116 HydrophobicContact CB-CB 4.3Å; V73-C116 HydrophobicContact CG1-CB 4.45Å; C106-C116 VanDerWaalsContact CA-SG 3.54Å; C106-C116 HydrophobicContact CB-CB 3.78Å; C106-C116 WeakPolarHBondContact CB-SG 3.43Å; C106-C116 VanDerWaalsContact SG-C 3.52Å; C106-C116 WeakPolarHBondContact SG-CB 3.44Å; C106-C116 CovalentContact SG-SG 2.04Å; C106-C116 PolarHBondContact SG-SG 3.47Å; M109-C116 VanDerWaalsContact CE-SG 3.51Å; V112-C116 HydrophobicContact CB-CB 3.95Å; V112-C116 HydrophobicContact CG2-CB 3.62Å; V112-C116 WeakPolarHBondContact O-CB 3.49Å; V112-C116 PolarHBondContact O-N 2.94Å; C116-G187 CarbonylContact C-O 3.59Å; C116-G187 VanDerWaalsContact CA-O 3.32Å; C116-G187 WeakPolarHBondContact CA-O 3.37Å | ||
| 117 | K | 91.4 | Very high | 89.4 | Confident | 84 Ų | 84 | 46.7 Ų | 46.7 | 37% | 0.365 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -131.2 | 152.2 | 175.1 | -57.1 | -62.8 | 167.6 | -157.8 | 0 | 111.1 | C106 I186 G187 A188 | C106-K117 PolarHBondContact SG-N 2.74Å; K117-I186 HydrophobicContact CG-CD1 4.33Å; K117-I186 HydrophobicContact CG-CG1 4.21Å; K117-G187 PolarHBondContact N-O 2.96Å; K117-A188 WeakPolarHBondContact O-CA 3.46Å; K117-A188 VanDerWaalsContact O-CB 3.26Å; K117-A188 WeakPolarHBondContact O-CB 3.27Å |
| 118 | E | 91.7 | Very high | 89.6 | Confident | 76 Ų | 76 | 44.6 Ų | 44.6 | 36% | 0.355 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -111.8 | 24.9 | 178.5 | -57.9 | -177.8 | 139.6 | 0 | 0 | 111.4 | L103 D105 C106 | L103-E118 WeakPolarHBondContact CD1-O 3.19Å; L103-E118 HydrophobicContact CD2-CB 3.88Å; L103-E118 HydrophobicContact CD2-CG 4.23Å; D105-E118 WeakPolarHBondContact CA-OE1 3.49Å; C106-E118 HydrophobicContact CB-CG 4.17Å; C106-E118 PolarHBondContact N-OE1 2.9Å; C106-E118 WeakPolarHBondContact SG-CG 3.25Å |
| 119 | T | 93.7 | Very high | 89.7 | Confident | 39 Ų | 39 | 52.5 Ų | 52.5 | 24% | 0.239 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 152.3 | -176.2 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | T145 I146 A147 | T119-T145 HydrophobicContact CG2-CG2 4.01Å; T119-I146 CarbonylContact C-O 3.5Å; T119-I146 WeakPolarHBondContact CA-O 3.1Å; T119-I146 VanDerWaalsContact CB-O 3.32Å; T119-I146 WeakPolarHBondContact CB-O 3.03Å; T119-A147 HydrophobicContact CG2-CB 3.82Å |
| 120 | F | 96 | Very high | 89.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 165.9 | 169.9 | 67.9 | -82.8 | 0 | 0 | 0 | 109.9 | V99 F101 T145 I146 F183 I190 L192 | V99-F120 HydrophobicContact CG1-CZ 4.25Å; F101-F120 HydrophobicContact CD1-CE1 4.18Å; F101-F120 HydrophobicContact CD1-CZ 4.28Å; F101-F120 AromaticContact CD2-CE1 3.97Å; F101-F120 HydrophobicContact CD2-CE1 3.97Å; F101-F120 HydrophobicContact CE1-CE1 4.07Å; F101-F120 HydrophobicContact CE1-CZ 4.33Å; F101-F120 AromaticContact CE2-CE1 3.85Å; F101-F120 HydrophobicContact CE2-CE1 3.85Å; F101-F120 HydrophobicContact CG-CE1 4.14Å; F101-F120 AromaticContact CZ-CE1 3.91Å; F101-F120 HydrophobicContact CZ-CE1 3.91Å; F120-T145 CarbonylContact O-C 3.6Å; F120-T145 WeakPolarHBondContact O-CA 3.33Å; F120-I146 HydrophobicContact CD1-CB 4Å; F120-I146 HydrophobicContact CD1-CG2 4.37Å; F120-I146 HydrophobicContact CD2-CB 4.29Å; F120-I146 HydrophobicContact CD2-CG1 4.4Å; F120-I146 HydrophobicContact CE1-CB 3.55Å; F120-I146 HydrophobicContact CE1-CG1 4.39Å; F120-I146 HydrophobicContact CE1-CG2 3.51Å; F120-I146 HydrophobicContact CE2-CB 3.84Å; F120-I146 HydrophobicContact CE2-CG1 3.78Å; F120-I146 HydrophobicContact CE2-CG2 4.33Å; F120-I146 HydrophobicContact CG-CB 4.38Å; F120-I146 HydrophobicContact CZ-CB 3.47Å; F120-I146 VanDerWaalsContact CZ-CB 3.47Å; F120-I146 HydrophobicContact CZ-CG1 3.81Å; F120-I146 HydrophobicContact CZ-CG2 3.5Å; F120-I146 VanDerWaalsContact CZ-CG2 3.5Å; F120-I146 PolarHBondContact N-O 2.82Å; F120-I146 PolarHBondContact O-N 2.88Å; F120-F183 HydrophobicContact CD2-CD1 4.3Å; F120-F183 AromaticContact CE2-CD1 3.81Å; F120-F183 HydrophobicContact CE2-CD1 3.81Å; F120-F183 HydrophobicContact CE2-CE1 4.39Å; F120-I190 HydrophobicContact CB-CD1 4.49Å; F120-I190 HydrophobicContact CD1-CD1 3.18Å; F120-I190 HydrophobicContact CE1-CD1 3.3Å; F120-I190 HydrophobicContact CG-CD1 3.87Å; F120-I190 HydrophobicContact CZ-CD1 4.1Å; F120-L192 HydrophobicContact CE2-CD2 4.46Å; F120-L192 HydrophobicContact CZ-CD2 4.23Å |
| 121 | N | 97.1 | Very high | 89.5 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 7% | 0.07 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 137.4 | 179.2 | -61.1 | -50.5 | 0 | 0 | 0 | 111.1 | F123 K142 T145 F183 Q184 | N121-F123 HydrophobicContact CB-CD2 4.1Å; N121-F123 HydrophobicContact CB-CE2 3.47Å; N121-F123 VanDerWaalsContact CB-CE2 3.47Å; N121-F123 HydrophobicContact CB-CZ 4.32Å; N121-K142 VanDerWaalsContact OD1-CE 3.32Å; N121-K142 WeakPolarHBondContact OD1-CE 3.49Å; N121-K142 PolarHBondContact OD1-NZ 3.21Å; N121-T145 PolarHBondContact OD1-OG1 2.93Å; N121-F183 WeakPolarHBondContact O-CA 3.33Å; N121-Q184 HydrophobicContact CB-CB 4.24Å; N121-Q184 PolarHBondContact N-O 3.04Å; N121-Q184 PolarHBondContact ND2-OE1 3.19Å; N121-Q184 PolarHBondContact O-N 2.99Å |
| 122 | L | 97.8 | Very high | 89 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 137.4 | 173.9 | -179.5 | 64.7 | 0 | 0 | 0 | 109.9 | I97 I143 D144 I146 R169 F183 | I97-L122 HydrophobicContact CD1-CD2 4.45Å; I97-L122 HydrophobicContact CG2-CD2 4.24Å; L122-I143 HydrophobicContact CB-CB 4.42Å; L122-I143 HydrophobicContact CD2-CB 4.37Å; L122-I143 HydrophobicContact CD2-CD1 4.06Å; L122-I143 HydrophobicContact CD2-CG2 4.26Å; L122-I143 HydrophobicContact CG-CB 4.2Å; L122-I143 HydrophobicContact CG-CD1 3.79Å; L122-I143 WeakPolarHBondContact O-CB 3.29Å; L122-I143 PolarHBondContact O-N 2.87Å; L122-D144 PolarHBondContact N-O 2.04Å; L122-D144 PolarHBondContact O-N 3.09Å; L122-I146 HydrophobicContact CB-CD1 4.42Å; L122-I146 HydrophobicContact CB-CG1 4.06Å; L122-R169 HydrophobicContact CD2-CB 4.32Å; L122-R169 HydrophobicContact CD2-CG 4.44Å; L122-F183 HydrophobicContact CD1-CD1 3.95Å; L122-F183 HydrophobicContact CD1-CE1 3.63Å; L122-F183 HydrophobicContact CD1-CZ 3.92Å |
| 123 | F | 96.8 | Very high | 88.1 | Confident | 21 Ų | 21 | 55.7 Ų | 55.7 | 9% | 0.092 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 159.4 | -175.5 | -73.2 | -98.5 | 0 | 0 | 0 | 112.2 | W81 N121 F140 I141 K142 L181 A182 Q184 | W81-F123 HydrophobicContact CH2-CD1 4.11Å; W81-F123 AromaticContact CH2-CD2 3.98Å; W81-F123 HydrophobicContact CH2-CD2 3.98Å; W81-F123 AromaticContact CH2-CE1 3.95Å; W81-F123 HydrophobicContact CH2-CE1 3.95Å; W81-F123 AromaticContact CH2-CE2 3.79Å; W81-F123 HydrophobicContact CH2-CE2 3.79Å; W81-F123 HydrophobicContact CH2-CG 4.15Å; W81-F123 AromaticContact CH2-CZ 3.79Å; W81-F123 HydrophobicContact CH2-CZ 3.79Å; W81-F123 HydrophobicContact CZ3-CB 4.35Å; W81-F123 HydrophobicContact CZ3-CD1 4.29Å; W81-F123 AromaticContact CZ3-CD2 3.82Å; W81-F123 HydrophobicContact CZ3-CD2 3.82Å; W81-F123 HydrophobicContact CZ3-CE2 4.09Å; W81-F123 AromaticContact CZ3-CG 3.94Å; W81-F123 HydrophobicContact CZ3-CG 3.94Å; W81-F123 HydrophobicContact CZ3-CZ 4.46Å; N121-F123 HydrophobicContact CB-CD2 4.1Å; N121-F123 HydrophobicContact CB-CE2 3.47Å; N121-F123 VanDerWaalsContact CB-CE2 3.47Å; N121-F123 HydrophobicContact CB-CZ 4.32Å; F123-F140 HydrophobicContact CB-CB 4.04Å; F123-F140 HydrophobicContact CB-CD1 4.07Å; F123-F140 HydrophobicContact CB-CG 4.42Å; F123-F140 HydrophobicContact CD1-CB 3.75Å; F123-F140 HydrophobicContact CG-CB 4.21Å; F123-I141 VanDerWaalsContact CA-O 3.31Å; F123-I141 WeakPolarHBondContact CA-O 3.22Å; F123-K142 HydrophobicContact CD1-CB 3.85Å; F123-K142 HydrophobicContact CD1-CG 4.47Å; F123-K142 HydrophobicContact CE1-CB 3.54Å; F123-K142 HydrophobicContact CE1-CG 4.11Å; F123-K142 HydrophobicContact CE2-CG 4.5Å; F123-K142 HydrophobicContact CZ-CB 4.04Å; F123-K142 HydrophobicContact CZ-CD 4.23Å; F123-K142 HydrophobicContact CZ-CG 4.13Å; F123-L181 WeakPolarHBondContact O-CA 3.43Å; F123-A182 HydrophobicContact CB-CB 4.24Å; F123-A182 PolarHBondContact N-O 3.31Å; F123-A182 PolarHBondContact O-N 2.94Å; F123-Q184 HydrophobicContact CD2-CB 4.2Å; F123-Q184 HydrophobicContact CE2-CB 3.79Å |
| 124 | Y | 96.2 | Very high | 88.2 | Confident | 35 Ų | 35 | 51.6 Ų | 51.6 | 14% | 0.137 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 162.2 | 167.9 | 77.5 | -63.4 | 0 | 0 | 0 | 113.3 | E126 F140 I141 I143 V171 L174 Y180 | Y124-E126 HydrophobicContact CD2-CG 4.34Å; Y124-E126 HydrophobicContact CE2-CG 4.07Å; Y124-F140 WeakPolarHBondContact O-CA 3.16Å; Y124-I141 HydrophobicContact CD1-CB 4.09Å; Y124-I141 WeakPolarHBondContact CD1-O 3.49Å; Y124-I141 HydrophobicContact CE1-CB 3.7Å; Y124-I141 HydrophobicContact CE1-CG2 3.76Å; Y124-I141 PolarHBondContact N-O 2.95Å; Y124-I141 PolarHBondContact O-N 3.04Å; Y124-I143 HydrophobicContact CD1-CD1 3.93Å; Y124-I143 HydrophobicContact CD1-CG1 3.54Å; Y124-I143 HydrophobicContact CE1-CG1 4.23Å; Y124-I143 HydrophobicContact CG-CD1 4.26Å; Y124-I143 HydrophobicContact CG-CG1 4.35Å; Y124-V171 HydrophobicContact CD1-CG1 4.05Å; Y124-V171 HydrophobicContact CD2-CG1 3.9Å; Y124-V171 HydrophobicContact CE1-CG1 3.79Å; Y124-V171 HydrophobicContact CE2-CG1 3.65Å; Y124-V171 HydrophobicContact CG-CG1 4.09Å; Y124-L174 HydrophobicContact CD2-CD2 4.17Å; Y124-L174 HydrophobicContact CE2-CD2 3.85Å; Y124-Y180 CarbonylContact C-O 3.6Å; Y124-Y180 WeakPolarHBondContact CA-O 3.4Å; Y124-Y180 WeakPolarHBondContact CB-O 3.42Å |
| 125 | Y | 93.6 | Very high | 88.2 | Confident | 42 Ų | 42 | 49.4 Ų | 49.4 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 122.5 | 173.3 | 168.5 | -122.1 | 0 | 0 | 0 | 111 | V131 Q139 F179 Y180 | Y125-V131 HydrophobicContact CE1-CG2 4.5Å; Y125-Q139 HydrophobicContact CD2-CB 3.99Å; Y125-Q139 WeakPolarHBondContact CD2-O 3.22Å; Y125-Q139 HydrophobicContact CE2-CB 4.05Å; Y125-Q139 HydrophobicContact CG-CB 4.33Å; Y125-F179 CarbonylContact O-C 3.48Å; Y125-F179 WeakPolarHBondContact O-CA 3.41Å; Y125-F179 WeakPolarHBondContact O-CB 3.22Å; Y125-Y180 AromaticContact CD1-CD2 3.87Å; Y125-Y180 HydrophobicContact CD1-CD2 3.87Å; Y125-Y180 HydrophobicContact CE1-CD2 4.48Å; Y125-Y180 PolarHBondContact N-O 3.4Å; Y125-Y180 PolarHBondContact O-N 3.37Å |
| 126 | E | 94 | Very high | 88 | Confident | 30 Ų | 30 | 54.9 Ų | 54.9 | 14% | 0.14 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 134.9 | 177.4 | -69.9 | -155.9 | -88.3 | 0 | 0 | 113.2 | Y124 L174 S175 R176 | Y124-E126 HydrophobicContact CD2-CG 4.34Å; Y124-E126 HydrophobicContact CE2-CG 4.07Å; E126-L174 HydrophobicContact CG-CD2 3.8Å; E126-S175 PolarHBondContact OE1-N 3.05Å; E126-S175 PolarHBondContact OE1-OG 2.97Å; E126-S175 PolarHBondContact OE2-N 2.99Å; E126-S175 PolarHBondContact OE2-OG 3.5Å; E126-R176 HydrophobicContact CB-CB 4.04Å; E126-R176 HydrophobicContact CB-CG 3.93Å; E126-R176 WeakPolarHBondContact O-CD 3.46Å; E126-R176 PolarHBondContact O-NH1 2.94Å; E126-R176 PolarHBondContact OE2-N 2.78Å |
| 127 | S | 92.8 | Very high | 87.7 | Confident | 7 Ų | 7 | 58 Ų | 58 | 5% | 0.049 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 138.5 | 174.6 | -177.4 | 0 | 0 | 0 | 0 | 112.9 | W86 R129 V131 G178 | W86-S127 PolarHBondContact NE1-O 3.17Å; S127-R129 WeakPolarHBondContact CB-O 3.5Å; S127-R129 PolarHBondContact O-N 2.88Å; S127-R129 PolarHBondContact OG-N 2.69Å; S127-R129 PolarHBondContact OG-O 2.81Å; S127-V131 WeakPolarHBondContact OG-CG2 3.26Å; S127-G178 CarbonylContact C-O 3.54Å; S127-G178 PolarHBondContact N-O 3.01Å; S127-G178 CarbonylContact O-C 3.58Å; S127-G178 PolarHBondContact O-N 2.84Å |
| 128 | D | 91.3 | Very high | 87.5 | Confident | 78 Ų | 78 | 60.9 Ų | 60.9 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -73.6 | -8.1 | 178.6 | -61.3 | -63.9 | 0 | 0 | 0 | 114.7 | R176 R177 | D128-R176 WeakPolarHBondContact OD1-CA 3.37Å; D128-R176 VanDerWaalsContact OD1-CB 3.3Å; D128-R176 WeakPolarHBondContact OD1-CB 3.44Å; D128-R177 HydrophobicContact CB-CG 4.3Å; D128-R177 PolarHBondContact OD1-N 3.28Å |
| 129 | R | 88.6 | Confident | 87.3 | Confident | 192 Ų | 192 | 60.1 Ų | 60.1 | 73% | 0.725 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -149.4 | 159 | 177.6 | 60.7 | 178.6 | 177.4 | -111.3 | 2.8 | 110.7 | S127 V131 | S127-R129 WeakPolarHBondContact CB-O 3.5Å; S127-R129 PolarHBondContact O-N 2.88Å; S127-R129 PolarHBondContact OG-N 2.69Å; S127-R129 PolarHBondContact OG-O 2.81Å; R129-V131 PolarHBondContact O-N 3.01Å |
| 130 | A | 85.1 | Confident | 87.3 | Confident | 69 Ų | 69 | 59.2 Ų | 59.2 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | trans | -59.2 | 128.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | W86 Y180 | W86-A130 HydrophobicContact CB-CB 4.11Å; W86-A130 HydrophobicContact CG-CB 4.27Å; A130-Y180 WeakPolarHBondContact CA-OH 3.49Å | ||
| 131 | V | 78.4 | Confident | 87.2 | Confident | 60 Ų | 60 | 63.8 Ų | 63.8 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | trans | -105.5 | 155.5 | 176.1 | -170.1 | 0 | 0 | 0 | 0 | 108.7 | Y125 S127 R129 Y180 | Y125-V131 HydrophobicContact CE1-CG2 4.5Å; S127-V131 WeakPolarHBondContact OG-CG2 3.26Å; R129-V131 PolarHBondContact O-N 3.01Å; V131-Y180 HydrophobicContact CB-CE2 4.43Å; V131-Y180 HydrophobicContact CG2-CE2 4.48Å; V131-Y180 PolarHBondContact N-OH 3.23Å; V131-Y180 PolarHBondContact O-OH 3.32Å; V131-Y180 VanDerWaalsContact O-OH 3.08Å | ||
| 132 | G | 69.1 | Low | 87.2 | Confident | 52 Ų | 52 | 67.9 Ų | 67.9 | 54% | 0.536 | 36% | 0.361 | S | S | . | . | trans | -64.4 | -171 | -169 | 0 | 0 | 0 | 0 | 0 | 117.3 | R83 A134 | R83-G132 PolarHBondContact NH1-O 3.47Å; G132-A134 VanDerWaalsContact C-N 3.32Å; G132-A134 PolarHBondContact O-N 3.04Å | ||
| 133 | S | 67.4 | Low | 87.1 | Confident | 104 Ų | 104 | 69.8 Ų | 69.8 | 73% | 0.727 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -77.9 | -0.6 | -167.3 | 49.9 | 0 | 0 | 0 | 0 | 116.5 | L45 | L45-S133 WeakPolarHBondContact CD1-O 3.46Š|
| 134 | A | 73.3 | Confident | 87.1 | Confident | 65 Ų | 65 | 71.6 Ų | 71.6 | 54% | 0.537 | 38% | 0.381 | S | S | . | . | trans | -93.9 | 129.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G132 | G132-A134 VanDerWaalsContact C-N 3.32Å; G132-A134 PolarHBondContact O-N 3.04Å | ||
| 135 | I | 79.2 | Confident | 87 | Confident | 23 Ų | 23 | 72.3 Ų | 72.3 | 12% | 0.118 | 39% | 0.389 | C | S | . | . | trans | -77.1 | 131.6 | 167.1 | -66.9 | 172.2 | 0 | 0 | 0 | 108 | L45 W81 R83 F140 | L45-I135 HydrophobicContact CB-CD1 4.41Å; W81-I135 HydrophobicContact CB-CD1 4.09Å; W81-I135 HydrophobicContact CB-CG2 4.28Å; W81-I135 HydrophobicContact CD2-CG2 4.42Å; W81-I135 HydrophobicContact CE3-CG2 4.48Å; W81-I135 HydrophobicContact CG-CG2 4.35Å; R83-I135 HydrophobicContact CB-CD1 3.78Å; R83-I135 HydrophobicContact CB-CG1 4.02Å; I135-F140 HydrophobicContact CG2-CE2 4.21Å | ||
| 136 | R | 83.4 | Confident | 87.1 | Confident | 150 Ų | 150 | 70.4 Ų | 70.4 | 57% | 0.566 | 38% | 0.382 | S | S | * | . | trans | -123.5 | 98.6 | 177.5 | -68.5 | -178.9 | 176.9 | -173.4 | -0.6 | 108.6 | N138 Q139 F140 | R136-N138 PolarHBondContact O-N 2.04Å; R136-N138 VanDerWaalsContact O-N 3.11Å; R136-Q139 HydrophobicContact CB-CG 3.86Å; R136-Q139 WeakPolarHBondContact O-CB 3.48Å; R136-Q139 PolarHBondContact O-N 2.67Å; R136-F140 WeakPolarHBondContact O-CD2 3.4Å | ||
| 137 | E | 84.9 | Confident | 87 | Confident | 76 Ų | 76 | 71.1 Ų | 71.1 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -52.9 | -37.2 | -170.8 | -58 | -179.5 | -130.8 | 0 | 0 | 112.7 | N79 W81 Q139 F140 | N79-E137 PolarHBondContact ND2-OE1 3.43Å; N79-E137 PolarHBondContact ND2-OE2 2.85Å; W81-E137 HydrophobicContact CZ2-CB 4Å; W81-E137 HydrophobicContact CZ2-CG 3.9Å; W81-E137 PolarHBondContact NE1-OE2 2.81Å; E137-Q139 PolarHBondContact O-N 2.86Å; E137-F140 PolarHBondContact O-N 2.89Å |
| 138 | N | 86.4 | Confident | 86.9 | Confident | 146 Ų | 146 | 72 Ų | 72 | 78% | 0.781 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -71.2 | -5.4 | -180 | 73.4 | -26.4 | 0 | 0 | 0 | 116 | R136 | R136-N138 PolarHBondContact O-N 2.04Å; R136-N138 VanDerWaalsContact O-N 3.11Å |
| 139 | Q | 89 | Confident | 86.5 | Confident | 59 Ų | 59 | 75.1 Ų | 75.1 | 28% | 0.276 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -94.1 | -15.1 | 177.1 | -58.9 | -167.7 | -53.6 | 0 | 0 | 112.8 | Y125 R136 E137 | Y125-Q139 HydrophobicContact CD2-CB 3.99Å; Y125-Q139 WeakPolarHBondContact CD2-O 3.22Å; Y125-Q139 HydrophobicContact CE2-CB 4.05Å; Y125-Q139 HydrophobicContact CG-CB 4.33Å; R136-Q139 HydrophobicContact CB-CG 3.86Å; R136-Q139 WeakPolarHBondContact O-CB 3.48Å; R136-Q139 PolarHBondContact O-N 2.67Å; E137-Q139 PolarHBondContact O-N 2.86Å |
| 140 | F | 93.2 | Very high | 86.4 | Confident | 20 Ų | 20 | 70.7 Ų | 70.7 | 9% | 0.088 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 134.4 | -174.9 | -75 | -86.1 | 0 | 0 | 0 | 111.9 | W81 R83 F123 Y124 I135 R136 E137 A182 | W81-F140 HydrophobicContact CH2-CB 4.37Å; W81-F140 HydrophobicContact CZ3-CB 4.15Å; W81-F140 HydrophobicContact CZ3-CD2 4.27Å; W81-F140 HydrophobicContact CZ3-CG 4.12Å; R83-F140 HydrophobicContact CG-CE1 4.32Å; R83-F140 HydrophobicContact CG-CZ 3.89Å; F123-F140 HydrophobicContact CB-CB 4.04Å; F123-F140 HydrophobicContact CB-CD1 4.07Å; F123-F140 HydrophobicContact CB-CG 4.42Å; F123-F140 HydrophobicContact CD1-CB 3.75Å; F123-F140 HydrophobicContact CG-CB 4.21Å; Y124-F140 WeakPolarHBondContact O-CA 3.16Å; I135-F140 HydrophobicContact CG2-CE2 4.21Å; R136-F140 WeakPolarHBondContact O-CD2 3.4Å; E137-F140 PolarHBondContact O-N 2.89Å; F140-A182 HydrophobicContact CD1-CB 3.78Å; F140-A182 HydrophobicContact CE1-CB 3.53Å; F140-A182 HydrophobicContact CZ-CB 4.1Å |
| 141 | I | 94.6 | Very high | 86.5 | Confident | 97 Ų | 97 | 69.6 Ų | 69.6 | 50% | 0.497 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 127.5 | 173 | -57.7 | 175.1 | 0 | 0 | 0 | 107.5 | F123 Y124 I143 | F123-I141 VanDerWaalsContact CA-O 3.31Å; F123-I141 WeakPolarHBondContact CA-O 3.22Å; Y124-I141 HydrophobicContact CD1-CB 4.09Å; Y124-I141 WeakPolarHBondContact CD1-O 3.49Å; Y124-I141 HydrophobicContact CE1-CB 3.7Å; Y124-I141 HydrophobicContact CE1-CG2 3.76Å; Y124-I141 PolarHBondContact N-O 2.95Å; Y124-I141 PolarHBondContact O-N 3.04Å; I141-I143 PolarHBondContact O-N 2.87Å |
| 142 | K | 96 | Very high | 86.7 | Confident | 99 Ų | 99 | 67.7 Ų | 67.7 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 130.3 | 177.6 | -172.4 | 170.1 | 169.3 | 176.1 | 0 | 109.8 | N121 F123 D144 T145 | N121-K142 VanDerWaalsContact OD1-CE 3.32Å; N121-K142 WeakPolarHBondContact OD1-CE 3.49Å; N121-K142 PolarHBondContact OD1-NZ 3.21Å; F123-K142 HydrophobicContact CD1-CB 3.85Å; F123-K142 HydrophobicContact CD1-CG 4.47Å; F123-K142 HydrophobicContact CE1-CB 3.54Å; F123-K142 HydrophobicContact CE1-CG 4.11Å; F123-K142 HydrophobicContact CE2-CG 4.5Å; F123-K142 HydrophobicContact CZ-CB 4.04Å; F123-K142 HydrophobicContact CZ-CD 4.23Å; F123-K142 HydrophobicContact CZ-CG 4.13Å; K142-D144 WeakPolarHBondContact CE-O 3.36Å; K142-T145 WeakPolarHBondContact CE-OG1 3.24Å; K142-T145 PolarHBondContact NZ-OG1 2.87Å |
| 143 | I | 95.9 | Very high | 87.4 | Confident | 40 Ų | 40 | 66.9 Ų | 66.9 | 21% | 0.205 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -59.6 | 172.6 | -61.8 | 167.7 | 0 | 0 | 0 | 108.4 | I97 L122 Y124 I141 R169 V171 L181 | I97-I143 HydrophobicContact CD1-CD1 3.63Å; L122-I143 HydrophobicContact CB-CB 4.42Å; L122-I143 HydrophobicContact CD2-CB 4.37Å; L122-I143 HydrophobicContact CD2-CD1 4.06Å; L122-I143 HydrophobicContact CD2-CG2 4.26Å; L122-I143 HydrophobicContact CG-CB 4.2Å; L122-I143 HydrophobicContact CG-CD1 3.79Å; L122-I143 WeakPolarHBondContact O-CB 3.29Å; L122-I143 PolarHBondContact O-N 2.87Å; Y124-I143 HydrophobicContact CD1-CD1 3.93Å; Y124-I143 HydrophobicContact CD1-CG1 3.54Å; Y124-I143 HydrophobicContact CE1-CG1 4.23Å; Y124-I143 HydrophobicContact CG-CD1 4.26Å; Y124-I143 HydrophobicContact CG-CG1 4.35Å; I141-I143 PolarHBondContact O-N 2.87Å; I143-R169 HydrophobicContact CG2-CB 3.9Å; I143-R169 HydrophobicContact CG2-CG 4.35Å; I143-V171 HydrophobicContact CD1-CG2 3.66Å; I143-V171 HydrophobicContact CG1-CG2 3.87Å; I143-V171 HydrophobicContact CG2-CG2 3.97Å; I143-L181 HydrophobicContact CD1-CD2 4.45Å |
| 144 | D | 95.8 | Very high | 87.6 | Confident | 60 Ų | 60 | 63.9 Ų | 63.9 | 32% | 0.321 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 171 | -177.8 | -157.5 | 4.5 | 0 | 0 | 0 | 112.2 | L122 K142 I146 R169 | L122-D144 PolarHBondContact N-O 2.04Å; L122-D144 PolarHBondContact O-N 3.09Å; K142-D144 WeakPolarHBondContact CE-O 3.36Å; D144-I146 HydrophobicContact CB-CD1 4.11Å; D144-R169 HydrophobicContact CB-CG 4.47Å; D144-R169 IonicContact OD2-CZ 3.6Å; D144-R169 IonicContact OD2-NE 3.29Å; D144-R169 PolarHBondContact OD2-NE 2.76Å; D144-R169 IonicContact OD2-NH2 2.77Å; D144-R169 PolarHBondContact OD2-NH2 2.87Å |
| 145 | T | 95.7 | Very high | 87.6 | Confident | 50 Ų | 50 | 66.2 Ų | 66.2 | 31% | 0.307 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 118.7 | 159 | -68.3 | 0 | 0 | 0 | 0 | 108.7 | T119 F120 N121 K142 | T119-T145 HydrophobicContact CG2-CG2 4.01Å; F120-T145 CarbonylContact O-C 3.6Å; F120-T145 WeakPolarHBondContact O-CA 3.33Å; N121-T145 PolarHBondContact OD1-OG1 2.93Å; K142-T145 WeakPolarHBondContact CE-OG1 3.24Å; K142-T145 PolarHBondContact NZ-OG1 2.87Å |
| 146 | I | 95.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 130.7 | 179.4 | -49.4 | -57.6 | 0 | 0 | 0 | 108.9 | F101 T119 F120 L122 D144 E167 R169 | F101-I146 HydrophobicContact CE1-CG2 3.82Å; F101-I146 HydrophobicContact CZ-CG2 3.83Å; T119-I146 CarbonylContact C-O 3.5Å; T119-I146 WeakPolarHBondContact CA-O 3.1Å; T119-I146 VanDerWaalsContact CB-O 3.32Å; T119-I146 WeakPolarHBondContact CB-O 3.03Å; F120-I146 HydrophobicContact CD1-CB 4Å; F120-I146 HydrophobicContact CD1-CG2 4.37Å; F120-I146 HydrophobicContact CD2-CB 4.29Å; F120-I146 HydrophobicContact CD2-CG1 4.4Å; F120-I146 HydrophobicContact CE1-CB 3.55Å; F120-I146 HydrophobicContact CE1-CG1 4.39Å; F120-I146 HydrophobicContact CE1-CG2 3.51Å; F120-I146 HydrophobicContact CE2-CB 3.84Å; F120-I146 HydrophobicContact CE2-CG1 3.78Å; F120-I146 HydrophobicContact CE2-CG2 4.33Å; F120-I146 HydrophobicContact CG-CB 4.38Å; F120-I146 HydrophobicContact CZ-CB 3.47Å; F120-I146 VanDerWaalsContact CZ-CB 3.47Å; F120-I146 HydrophobicContact CZ-CG1 3.81Å; F120-I146 HydrophobicContact CZ-CG2 3.5Å; F120-I146 VanDerWaalsContact CZ-CG2 3.5Å; F120-I146 PolarHBondContact N-O 2.82Å; F120-I146 PolarHBondContact O-N 2.88Å; L122-I146 HydrophobicContact CB-CD1 4.42Å; L122-I146 HydrophobicContact CB-CG1 4.06Å; D144-I146 HydrophobicContact CB-CD1 4.11Å; I146-E167 HydrophobicContact CG2-CB 3.96Å; I146-E167 HydrophobicContact CG2-CG 3.77Å; I146-R169 HydrophobicContact CD1-CG 3.99Å |
| 147 | A | 92.1 | Very high | 86.7 | Confident | 45 Ų | 45 | 62.4 Ų | 62.4 | 37% | 0.372 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 162 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F101 T119 | F101-A147 WeakPolarHBondContact CZ-O 3.34Å; T119-A147 HydrophobicContact CG2-CB 3.82Å |
| 148 | A | 89.5 | Confident | 85.8 | Confident | 27 Ų | 27 | 62 Ų | 62 | 22% | 0.223 | 37% | 0.365 | C | S | . | . | trans | -87 | 138.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F101 L103 N165 | F101-A148 HydrophobicContact CE2-CB 4.02Å; F101-A148 HydrophobicContact CZ-CB 4.39Å; L103-A148 HydrophobicContact CB-CB 3.88Å; L103-A148 HydrophobicContact CD1-CB 4.4Å; L103-A148 HydrophobicContact CD2-CB 4.24Å; L103-A148 HydrophobicContact CG-CB 4.39Å; A148-N165 WeakPolarHBondContact CA-OD1 3.08Å; A148-N165 WeakPolarHBondContact CB-OD1 3.24Å | ||
| 149 | D | 84.3 | Confident | 84.9 | Confident | 142 Ų | 142 | 60.4 Ų | 60.4 | 76% | 0.759 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -71.6 | -39.1 | 164.9 | -82.7 | -26.3 | 0 | 0 | 0 | 110.7 | N165 | D149-N165 PolarHBondContact N-OD1 2.84Š|
| 150 | E | 85 | Confident | 84 | Confident | 99 Ų | 99 | 68.7 Ų | 68.7 | 46% | 0.463 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -129.3 | 117.8 | 175.9 | -66.8 | -166.4 | 142.3 | 0 | 0 | 111.3 | K163 N165 | E150-K163 HydrophobicContact CB-CB 4.06Å; E150-K163 HydrophobicContact CB-CG 4.27Å; E150-K163 IonicContact OE1-NZ 3.97Å; E150-K163 PolarHBondContact OE1-NZ 3.01Å; E150-K163 VanDerWaalsContact OE2-CD 3.29Å; E150-K163 WeakPolarHBondContact OE2-CD 3.32Å; E150-K163 WeakPolarHBondContact OE2-CE 3.08Å; E150-K163 IonicContact OE2-NZ 3.63Å; E150-K163 PolarHBondContact OE2-NZ 2.76Å; E150-N165 PolarHBondContact N-OD1 3.16Å; E150-N165 PolarHBondContact O-ND2 3.43Å; E150-N165 PolarHBondContact O-OD1 3.09Å |
| 151 | S | 87.3 | Confident | 82.8 | Confident | 47 Ų | 47 | 74.4 Ų | 74.4 | 33% | 0.329 | 41% | 0.41 | S | S | . | . | trans | -94.2 | 148.7 | 168.7 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | L103 | L103-S151 CarbonylContact O-C 3.48Å; L103-S151 VanDerWaalsContact O-CA 3.27Å; L103-S151 WeakPolarHBondContact O-CA 3.34Å | ||
| 152 | F | 83.2 | Confident | 81.9 | Confident | 19 Ų | 19 | 73.5 Ų | 73.5 | 8% | 0.083 | 41% | 0.406 | C | S | . | . | B | Isolated β-bridge | trans | -97.4 | 148 | 176.9 | 68 | -96.5 | 0 | 0 | 0 | 112.2 | L103 R104 D105 D156 L157 L162 K163 | L103-F152 VanDerWaalsContact C-CE1 3.46Å; L103-F152 WeakPolarHBondContact O-CD1 3.49Å; L103-F152 WeakPolarHBondContact O-CE1 3.38Å; L103-F152 PolarHBondContact O-N 3Å; R104-F152 HydrophobicContact CB-CD2 4.3Å; R104-F152 HydrophobicContact CB-CE1 4.09Å; R104-F152 HydrophobicContact CB-CE2 3.72Å; R104-F152 HydrophobicContact CB-CZ 3.61Å; R104-F152 HydrophobicContact CG-CD2 4.1Å; R104-F152 HydrophobicContact CG-CE2 3.7Å; R104-F152 HydrophobicContact CG-CZ 4.14Å; D105-F152 PolarHBondContact N-O 3Å; F152-D156 HydrophobicContact CB-CB 4.27Å; F152-L157 HydrophobicContact CD2-CD1 4.43Å; F152-L157 HydrophobicContact CD2-CD2 4.08Å; F152-L157 HydrophobicContact CD2-CG 4Å; F152-L157 HydrophobicContact CE2-CD1 4.15Å; F152-L157 HydrophobicContact CE2-CD2 3.82Å; F152-L157 HydrophobicContact CE2-CG 4.03Å; F152-L162 HydrophobicContact CD1-CD2 4.42Å; F152-L162 HydrophobicContact CD2-CD2 4.46Å; F152-L162 HydrophobicContact CE1-CD2 4.37Å; F152-L162 HydrophobicContact CE2-CD2 4.42Å; F152-L162 HydrophobicContact CG-CD2 4.46Å; F152-L162 HydrophobicContact CZ-CD2 4.36Å; F152-K163 HydrophobicContact CB-CB 4.32Å; F152-K163 HydrophobicContact CB-CG 4.12Å |
| 153 | T | 83.9 | Confident | 81.2 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 22% | 0.221 | 39% | 0.394 | C | S | . | . | trans | -109.9 | 175.7 | -177.8 | 73.8 | 0 | 0 | 0 | 0 | 112.6 | D105 V155 D156 L157 | D105-T153 HydrophobicContact CB-CG2 4.29Å; T153-V155 PolarHBondContact O-N 2.89Å; T153-V155 PolarHBondContact OG1-N 2.83Å; T153-D156 WeakPolarHBondContact CB-OD2 3.43Å; T153-D156 PolarHBondContact N-OD2 2.89Å; T153-D156 VanDerWaalsContact N-OD2 3.09Å; T153-D156 PolarHBondContact O-N 2.85Å; T153-D156 PolarHBondContact OG1-N 3.04Å; T153-D156 PolarHBondContact OG1-OD2 2.93Å; T153-L157 PolarHBondContact O-N 2.83Å; T153-L157 VanDerWaalsContact O-N 3.14Å | ||
| 154 | G | 71.9 | Confident | 80.8 | Confident | 40 Ų | 40 | 73.7 Ų | 73.7 | 41% | 0.412 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.9 | -23.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G158 | G154-G158 PolarHBondContact O-N 2.92Å |
| 155 | V | 72.8 | Confident | 80.6 | Confident | 114 Ų | 114 | 71.2 Ų | 71.2 | 69% | 0.691 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -74 | -43.3 | 175.3 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | T153 L157 G158 V159 | T153-V155 PolarHBondContact O-N 2.89Å; T153-V155 PolarHBondContact OG1-N 2.83Å; V155-L157 VanDerWaalsContact C-N 3.34Å; V155-L157 PolarHBondContact O-N 2.93Å; V155-G158 PolarHBondContact O-N 2.87Å; V155-G158 VanDerWaalsContact O-N 3.09Å; V155-V159 PolarHBondContact O-N 3.38Å |
| 156 | D | 75.1 | Confident | 80.5 | Confident | 21 Ų | 21 | 72.1 Ų | 72.1 | 11% | 0.112 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.7 | -36.7 | 178.6 | -59.6 | -78.6 | 0 | 0 | 0 | 112.2 | F152 T153 G158 V159 R160 R161 | F152-D156 HydrophobicContact CB-CB 4.27Å; T153-D156 WeakPolarHBondContact CB-OD2 3.43Å; T153-D156 PolarHBondContact N-OD2 2.89Å; T153-D156 VanDerWaalsContact N-OD2 3.09Å; T153-D156 PolarHBondContact O-N 2.85Å; T153-D156 PolarHBondContact OG1-N 3.04Å; T153-D156 PolarHBondContact OG1-OD2 2.93Å; D156-G158 VanDerWaalsContact C-N 3.29Å; D156-G158 PolarHBondContact O-N 2.71Å; D156-V159 CarbonylContact O-C 3.52Å; D156-V159 PolarHBondContact O-N 3.16Å; D156-V159 VanDerWaalsContact O-N 3.13Å; D156-R160 PolarHBondContact O-N 2.69Å; D156-R161 WeakPolarHBondContact CB-O 3.45Å; D156-R161 PolarHBondContact O-N 3.08Å; D156-R161 IonicContact OD1-CZ 2.66Å; D156-R161 IonicContact OD1-NE 3.84Å; D156-R161 IonicContact OD1-NH2 3.08Å; D156-R161 PolarHBondContact OD1-NH2 3.34Å |
| 157 | L | 69.5 | Low | 80.5 | Confident | 72 Ų | 72 | 73.7 Ų | 73.7 | 38% | 0.377 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59 | -38.8 | 170.2 | -73 | 174 | 0 | 0 | 0 | 112.3 | F152 T153 V155 V159 R160 L162 | F152-L157 HydrophobicContact CD2-CD1 4.43Å; F152-L157 HydrophobicContact CD2-CD2 4.08Å; F152-L157 HydrophobicContact CD2-CG 4Å; F152-L157 HydrophobicContact CE2-CD1 4.15Å; F152-L157 HydrophobicContact CE2-CD2 3.82Å; F152-L157 HydrophobicContact CE2-CG 4.03Å; T153-L157 PolarHBondContact O-N 2.83Å; T153-L157 VanDerWaalsContact O-N 3.14Å; V155-L157 VanDerWaalsContact C-N 3.34Å; V155-L157 PolarHBondContact O-N 2.93Å; L157-V159 PolarHBondContact O-N 3.03Å; L157-R160 PolarHBondContact O-N 3.14Å; L157-R160 VanDerWaalsContact O-N 3.11Å; L157-L162 HydrophobicContact CD2-CD2 4.16Å |
| 158 | G | 64.9 | Low | 80.6 | Confident | 69 Ų | 69 | 74.3 Ų | 74.3 | 71% | 0.711 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.9 | -23.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G154 V155 D156 | G154-G158 PolarHBondContact O-N 2.92Å; V155-G158 PolarHBondContact O-N 2.87Å; V155-G158 VanDerWaalsContact O-N 3.09Å; D156-G158 VanDerWaalsContact C-N 3.29Å; D156-G158 PolarHBondContact O-N 2.71Å |
| 159 | V | 68.7 | Low | 80.9 | Confident | 112 Ų | 112 | 75.9 Ų | 75.9 | 68% | 0.679 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 6.8 | 176.9 | -164.2 | 0 | 0 | 0 | 0 | 111.5 | V155 D156 L157 R161 | V155-V159 PolarHBondContact O-N 3.38Å; D156-V159 CarbonylContact O-C 3.52Å; D156-V159 PolarHBondContact O-N 3.16Å; D156-V159 VanDerWaalsContact O-N 3.13Å; L157-V159 PolarHBondContact O-N 3.03Å; V159-R161 PolarHBondContact O-N 3.43Å |
| 160 | R | 68.1 | Low | 81.2 | Confident | 233 Ų | 233 | 70.6 Ų | 70.6 | 88% | 0.879 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 30.8 | -175.1 | -59.6 | -174.4 | 174.7 | -161.6 | -1.9 | 114.6 | D156 L157 | D156-R160 PolarHBondContact O-N 2.69Å; L157-R160 PolarHBondContact O-N 3.14Å; L157-R160 VanDerWaalsContact O-N 3.11Å |
| 161 | R | 69 | Low | 81.5 | Confident | 140 Ų | 140 | 66.3 Ų | 66.3 | 53% | 0.528 | 37% | 0.367 | S | S | . | . | trans | -104.2 | 85.4 | -175.6 | -168.7 | -176.4 | 65.8 | 170.8 | 0.2 | 111 | D156 V159 | D156-R161 WeakPolarHBondContact CB-O 3.45Å; D156-R161 PolarHBondContact O-N 3.08Å; D156-R161 IonicContact OD1-CZ 2.66Å; D156-R161 IonicContact OD1-NE 3.84Å; D156-R161 IonicContact OD1-NH2 3.08Å; D156-R161 PolarHBondContact OD1-NH2 3.34Å; V159-R161 PolarHBondContact O-N 3.43Å | ||
| 162 | L | 74.6 | Confident | 81.5 | Confident | 78 Ų | 78 | 65.3 Ų | 65.3 | 41% | 0.408 | 37% | 0.365 | S | S | . | . | trans | -67.8 | 150.8 | 175.1 | -62.5 | 177.7 | 0 | 0 | 0 | 111.1 | T102 F152 L157 | T102-L162 HydrophobicContact CG2-CB 4.35Å; F152-L162 HydrophobicContact CD1-CD2 4.42Å; F152-L162 HydrophobicContact CD2-CD2 4.46Å; F152-L162 HydrophobicContact CE1-CD2 4.37Å; F152-L162 HydrophobicContact CE2-CD2 4.42Å; F152-L162 HydrophobicContact CG-CD2 4.46Å; F152-L162 HydrophobicContact CZ-CD2 4.36Å; L157-L162 HydrophobicContact CD2-CD2 4.16Å | ||
| 163 | K | 82.4 | Confident | 81.9 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 18% | 0.183 | 39% | 0.388 | C | S | . | . | trans | -105.4 | 111.4 | 176.1 | -65.5 | -55.1 | -150.3 | 137.9 | 0 | 109.5 | T102 E150 F152 N165 | T102-K163 WeakPolarHBondContact CA-O 3.23Å; T102-K163 WeakPolarHBondContact CG2-O 3.35Å; E150-K163 HydrophobicContact CB-CB 4.06Å; E150-K163 HydrophobicContact CB-CG 4.27Å; E150-K163 IonicContact OE1-NZ 3.97Å; E150-K163 PolarHBondContact OE1-NZ 3.01Å; E150-K163 VanDerWaalsContact OE2-CD 3.29Å; E150-K163 WeakPolarHBondContact OE2-CD 3.32Å; E150-K163 WeakPolarHBondContact OE2-CE 3.08Å; E150-K163 IonicContact OE2-NZ 3.63Å; E150-K163 PolarHBondContact OE2-NZ 2.76Å; F152-K163 HydrophobicContact CB-CB 4.32Å; F152-K163 HydrophobicContact CB-CG 4.12Å; K163-N165 PolarHBondContact O-ND2 3.04Å | ||
| 164 | L | 87.4 | Confident | 82.3 | Confident | 100 Ų | 100 | 67.3 Ų | 67.3 | 52% | 0.524 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 114.9 | -178.7 | -173.4 | 67.8 | 0 | 0 | 0 | 110.2 | K100 T102 T193 | K100-L164 HydrophobicContact CB-CD1 4.14Å; T102-L164 HydrophobicContact CG2-CD1 4.24Å; L164-T193 HydrophobicContact CD1-CG2 4.14Å; L164-T193 VanDerWaalsContact CD1-OG1 3.27Å; L164-T193 WeakPolarHBondContact CD1-OG1 3.4Å |
| 165 | N | 91.1 | Very high | 83.2 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 5% | 0.048 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 151.2 | 175.4 | -62.8 | -91.7 | 0 | 0 | 0 | 109.5 | K100 F101 A148 D149 E150 K163 | K100-N165 VanDerWaalsContact CA-O 3.25Å; K100-N165 WeakPolarHBondContact CA-O 3.22Å; F101-N165 HydrophobicContact CD1-CB 4.08Å; F101-N165 HydrophobicContact CD2-CB 4.35Å; F101-N165 HydrophobicContact CE1-CB 3.68Å; F101-N165 HydrophobicContact CE2-CB 3.98Å; F101-N165 HydrophobicContact CG-CB 4.39Å; F101-N165 HydrophobicContact CZ-CB 3.62Å; F101-N165 PolarHBondContact N-O 2.95Å; F101-N165 VanDerWaalsContact N-O 3.11Å; F101-N165 WeakPolarHBondContact O-CB 3.33Å; F101-N165 PolarHBondContact O-N 2.94Å; A148-N165 WeakPolarHBondContact CA-OD1 3.08Å; A148-N165 WeakPolarHBondContact CB-OD1 3.24Å; D149-N165 PolarHBondContact N-OD1 2.84Å; E150-N165 PolarHBondContact N-OD1 3.16Å; E150-N165 PolarHBondContact O-ND2 3.43Å; E150-N165 PolarHBondContact O-OD1 3.09Å; K163-N165 PolarHBondContact O-ND2 3.04Å |
| 166 | T | 93.9 | Very high | 84.2 | Confident | 69 Ų | 69 | 68.9 Ų | 68.9 | 42% | 0.423 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 117.1 | 175.3 | -60.8 | 0 | 0 | 0 | 0 | 109.6 | E98 V99 K100 | E98-T166 HydrophobicContact CG-CG2 3.97Å; V99-T166 WeakPolarHBondContact O-CA 3.48Å; K100-T166 HydrophobicContact CG-CG2 4.07Å |
| 167 | E | 95.5 | Very high | 85.1 | Confident | 33 Ų | 33 | 77 Ų | 77 | 15% | 0.154 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 131.9 | -173.9 | -81.2 | -72.6 | 169.8 | 0 | 0 | 110.9 | E98 V99 F101 I146 R169 | E98-E167 CarbonylContact C-O 3.49Å; E98-E167 WeakPolarHBondContact CA-O 3.44Å; V99-E167 PolarHBondContact N-O 3.24Å; V99-E167 PolarHBondContact O-N 3.03Å; F101-E167 HydrophobicContact CE1-CB 4.17Å; F101-E167 HydrophobicContact CE1-CG 3.86Å; F101-E167 HydrophobicContact CZ-CG 4.34Å; I146-E167 HydrophobicContact CG2-CB 3.96Å; I146-E167 HydrophobicContact CG2-CG 3.77Å; E167-R169 IonicContact OE2-CZ 2.68Å; E167-R169 IonicContact OE2-NH1 2.63Å; E167-R169 PolarHBondContact OE2-NH1 3.08Å; E167-R169 IonicContact OE2-NH2 3.54Å; E167-R169 PolarHBondContact OE2-NH2 3.2Å |
| 168 | V | 95.1 | Very high | 86.3 | Confident | 59 Ų | 59 | 73.5 Ų | 73.5 | 36% | 0.358 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 126.8 | -177.8 | -174.7 | 0 | 0 | 0 | 0 | 110.8 | I97 E98 | I97-V168 CarbonylContact O-C 3.58Å; I97-V168 VanDerWaalsContact O-CA 3.3Å; I97-V168 WeakPolarHBondContact O-CA 3.32Å; E98-V168 HydrophobicContact CB-CG2 4.11Å; E98-V168 HydrophobicContact CG-CG2 4.14Å |
| 169 | R | 94.6 | Very high | 87.7 | Confident | 60 Ų | 60 | 70.2 Ų | 70.2 | 23% | 0.226 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 136 | 174.7 | -65.5 | -63.6 | 176.7 | -75.2 | -9.8 | 111.9 | Y96 I97 L122 I143 D144 I146 E167 | Y96-R169 WeakPolarHBondContact CA-O 3.45Å; I97-R169 PolarHBondContact N-O 2.71Å; I97-R169 PolarHBondContact O-N 2.91Å; L122-R169 HydrophobicContact CD2-CB 4.32Å; L122-R169 HydrophobicContact CD2-CG 4.44Å; I143-R169 HydrophobicContact CG2-CB 3.9Å; I143-R169 HydrophobicContact CG2-CG 4.35Å; D144-R169 HydrophobicContact CB-CG 4.47Å; D144-R169 IonicContact OD2-CZ 3.6Å; D144-R169 IonicContact OD2-NE 3.29Å; D144-R169 PolarHBondContact OD2-NE 2.76Å; D144-R169 IonicContact OD2-NH2 2.77Å; D144-R169 PolarHBondContact OD2-NH2 2.87Å; I146-R169 HydrophobicContact CD1-CG 3.99Å; E167-R169 IonicContact OE2-CZ 2.68Å; E167-R169 IonicContact OE2-NH1 2.63Å; E167-R169 PolarHBondContact OE2-NH1 3.08Å; E167-R169 IonicContact OE2-NH2 3.54Å; E167-R169 PolarHBondContact OE2-NH2 3.2Å |
| 170 | G | 91.7 | Very high | 89 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 32% | 0.32 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 134.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I95 | I95-G170 CarbonylContact O-C 3.6Å; I95-G170 VanDerWaalsContact O-CA 3.26Å; I95-G170 WeakPolarHBondContact O-CA 3.41Å |
| 171 | V | 91.4 | Very high | 90.3 | Very high | 8 Ų | 8 | 54 Ų | 54 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 131.4 | -177.2 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | R94 I95 I97 Y124 I143 L174 | R94-V171 CarbonylContact C-O 3.55Å; R94-V171 WeakPolarHBondContact CA-O 3.11Å; I95-V171 HydrophobicContact CD1-CB 4.31Å; I95-V171 HydrophobicContact CG1-CB 3.9Å; I95-V171 PolarHBondContact N-O 2.84Å; I95-V171 PolarHBondContact O-N 2.81Å; I97-V171 HydrophobicContact CD1-CG2 3.76Å; Y124-V171 HydrophobicContact CD1-CG1 4.05Å; Y124-V171 HydrophobicContact CD2-CG1 3.9Å; Y124-V171 HydrophobicContact CE1-CG1 3.79Å; Y124-V171 HydrophobicContact CE2-CG1 3.65Å; Y124-V171 HydrophobicContact CG-CG1 4.09Å; I143-V171 HydrophobicContact CD1-CG2 3.66Å; I143-V171 HydrophobicContact CG1-CG2 3.87Å; I143-V171 HydrophobicContact CG2-CG2 3.97Å; V171-L174 HydrophobicContact CG1-CD2 4.28Å |
| 172 | G | 87.1 | Confident | 91.6 | Very high | 27 Ų | 27 | 47.4 Ų | 47.4 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | trans | 169.5 | 172.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 173 | P | 91.8 | Very high | 92.7 | Very high | 88 Ų | 88 | 43.7 Ų | 43.7 | 57% | 0.571 | 23% | 0.233 | S | C | * | . | cis | -65 | 128.2 | -5.3 | 23.7 | -32.6 | 0 | 0 | 0 | 112.8 | R93 A219 | R93-P173 WeakPolarHBondContact O-CA 3.29Å; P173-A219 HydrophobicContact CB-CB 3.64Å; P173-A219 HydrophobicContact CG-CB 4.46Å | ||
| 174 | L | 91.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | trans | -86.7 | 137.8 | 167.9 | -68.9 | 179.1 | 0 | 0 | 0 | 110.7 | R89 R93 I95 Y124 E126 V171 F179 | R89-L174 HydrophobicContact CG-CB 4.48Å; R89-L174 HydrophobicContact CG-CD1 4.3Å; R93-L174 PolarHBondContact O-N 2.81Å; I95-L174 HydrophobicContact CB-CD1 4.35Å; I95-L174 HydrophobicContact CD1-CD1 3.91Å; I95-L174 HydrophobicContact CG1-CD1 3.83Å; I95-L174 HydrophobicContact CG2-CD1 3.72Å; Y124-L174 HydrophobicContact CD2-CD2 4.17Å; Y124-L174 HydrophobicContact CE2-CD2 3.85Å; E126-L174 HydrophobicContact CG-CD2 3.8Å; V171-L174 HydrophobicContact CG1-CD2 4.28Å; L174-F179 HydrophobicContact CD1-CD1 3.96Å; L174-F179 HydrophobicContact CD1-CE1 4.1Å | ||
| 175 | S | 91.6 | Very high | 93.8 | Very high | 84 Ų | 84 | 38.1 Ų | 38.1 | 59% | 0.587 | 21% | 0.205 | S | C | * | . | trans | -115.6 | -38.6 | -168.9 | 64.8 | 0 | 0 | 0 | 0 | 113.5 | E126 | E126-S175 PolarHBondContact OE1-N 3.05Å; E126-S175 PolarHBondContact OE1-OG 2.97Å; E126-S175 PolarHBondContact OE2-N 2.99Å; E126-S175 PolarHBondContact OE2-OG 3.5Å | ||
| 176 | R | 93.4 | Very high | 93.9 | Very high | 103 Ų | 103 | 40.5 Ų | 40.5 | 39% | 0.389 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -85.9 | 175.8 | -172.7 | -60.9 | -163.2 | 180 | -165.6 | -9.1 | 112.6 | R89 E126 D128 G178 | R89-R176 WeakPolarHBondContact CD-O 3.41Å; R89-R176 PolarHBondContact NE-O 2.8Å; E126-R176 HydrophobicContact CB-CB 4.04Å; E126-R176 HydrophobicContact CB-CG 3.93Å; E126-R176 WeakPolarHBondContact O-CD 3.46Å; E126-R176 PolarHBondContact O-NH1 2.94Å; E126-R176 PolarHBondContact OE2-N 2.78Å; D128-R176 WeakPolarHBondContact OD1-CA 3.37Å; D128-R176 VanDerWaalsContact OD1-CB 3.3Å; D128-R176 WeakPolarHBondContact OD1-CB 3.44Å; R176-G178 VanDerWaalsContact C-N 3.28Å; R176-G178 PolarHBondContact O-N 2.99Å |
| 177 | R | 93.5 | Very high | 93.8 | Very high | 191 Ų | 191 | 37.2 Ų | 37.2 | 72% | 0.721 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -68.1 | -22.5 | -178.9 | -60.2 | -176.3 | 175 | -153.9 | -3.2 | 114.7 | W86 R89 D128 | W86-R177 HydrophobicContact CZ2-CB 4.27Å; R89-R177 WeakPolarHBondContact CB-O 3.21Å; R89-R177 PolarHBondContact N-O 3.12Å; D128-R177 HydrophobicContact CB-CG 4.3Å; D128-R177 PolarHBondContact OD1-N 3.28Å |
| 178 | G | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.9 | -177.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I87 S127 R176 | I87-G178 CarbonylContact O-C 3.59Å; I87-G178 WeakPolarHBondContact O-CA 3.33Å; S127-G178 CarbonylContact C-O 3.54Å; S127-G178 PolarHBondContact N-O 3.01Å; S127-G178 CarbonylContact O-C 3.58Å; S127-G178 PolarHBondContact O-N 2.84Å; R176-G178 VanDerWaalsContact C-N 3.28Å; R176-G178 PolarHBondContact O-N 2.99Å |
| 179 | F | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 169 | -173.1 | 58.4 | -83.8 | 0 | 0 | 0 | 112.1 | L32 I87 I95 Y125 L174 L181 V197 | L32-F179 HydrophobicContact CD1-CE1 4.19Å; L32-F179 HydrophobicContact CD1-CZ 4.18Å; I87-F179 HydrophobicContact CB-CD2 4.35Å; I87-F179 HydrophobicContact CB-CE1 4.2Å; I87-F179 HydrophobicContact CB-CE2 3.91Å; I87-F179 HydrophobicContact CB-CZ 3.8Å; I87-F179 HydrophobicContact CD1-CD2 4.31Å; I87-F179 HydrophobicContact CD1-CE2 3.66Å; I87-F179 HydrophobicContact CD1-CZ 4.21Å; I87-F179 HydrophobicContact CG1-CE2 4.36Å; I87-F179 HydrophobicContact CG2-CE1 3.99Å; I87-F179 HydrophobicContact CG2-CE2 4.07Å; I87-F179 HydrophobicContact CG2-CZ 3.52Å; I87-F179 PolarHBondContact N-O 2.7Å; I87-F179 PolarHBondContact O-N 2.91Å; I95-F179 HydrophobicContact CD1-CD1 4.47Å; I95-F179 HydrophobicContact CD1-CD2 4Å; I95-F179 HydrophobicContact CD1-CE1 3.97Å; I95-F179 HydrophobicContact CD1-CE2 3.4Å; I95-F179 VanDerWaalsContact CD1-CE2 3.4Å; I95-F179 HydrophobicContact CD1-CZ 3.41Å; I95-F179 VanDerWaalsContact CD1-CZ 3.41Å; I95-F179 HydrophobicContact CG2-CE1 4.18Å; I95-F179 HydrophobicContact CG2-CZ 4.18Å; Y125-F179 CarbonylContact O-C 3.48Å; Y125-F179 WeakPolarHBondContact O-CA 3.41Å; Y125-F179 WeakPolarHBondContact O-CB 3.22Å; L174-F179 HydrophobicContact CD1-CD1 3.96Å; L174-F179 HydrophobicContact CD1-CE1 4.1Å; F179-L181 HydrophobicContact CD2-CD2 4.13Å; F179-L181 HydrophobicContact CD2-CG 4.49Å; F179-L181 HydrophobicContact CE2-CD2 4.16Å; F179-L181 HydrophobicContact CE2-CG 4.33Å; F179-V197 HydrophobicContact CE2-CG1 4.07Å; F179-V197 HydrophobicContact CZ-CG1 3.84Å |
| 180 | Y | 95.3 | Very high | 93.6 | Very high | 5 Ų | 5 | 31 Ų | 31 | 2% | 0.02 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 148.1 | 168.7 | -68.4 | -84.6 | 0 | 0 | 0 | 109.5 | R83 S84 S85 W86 Y124 Y125 A130 V131 | R83-Y180 HydrophobicContact CG-CD1 4.27Å; S84-Y180 WeakPolarHBondContact O-CD1 3.48Å; S85-Y180 WeakPolarHBondContact O-CD1 3.34Å; W86-Y180 HydrophobicContact CB-CD1 4.45Å; W86-Y180 HydrophobicContact CB-CE1 3.72Å; W86-Y180 HydrophobicContact CB-CE2 4.34Å; W86-Y180 AromaticContact CD1-CE2 3.61Å; W86-Y180 AromaticContact CD1-CZ 3.81Å; W86-Y180 HydrophobicContact CG-CE2 4.37Å; Y124-Y180 CarbonylContact C-O 3.6Å; Y124-Y180 WeakPolarHBondContact CA-O 3.4Å; Y124-Y180 WeakPolarHBondContact CB-O 3.42Å; Y125-Y180 AromaticContact CD1-CD2 3.87Å; Y125-Y180 HydrophobicContact CD1-CD2 3.87Å; Y125-Y180 HydrophobicContact CE1-CD2 4.48Å; Y125-Y180 PolarHBondContact N-O 3.4Å; Y125-Y180 PolarHBondContact O-N 3.37Å; A130-Y180 WeakPolarHBondContact CA-OH 3.49Å; V131-Y180 HydrophobicContact CB-CE2 4.43Å; V131-Y180 HydrophobicContact CG2-CE2 4.48Å; V131-Y180 PolarHBondContact N-OH 3.23Å; V131-Y180 PolarHBondContact O-OH 3.32Å; V131-Y180 VanDerWaalsContact O-OH 3.08Å |
| 181 | L | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 151.1 | 161.6 | -60.4 | -174.3 | 0 | 0 | 0 | 110 | R83 S84 I87 I97 F123 I143 F179 F183 V195 V197 | R83-L181 WeakPolarHBondContact CA-O 3.21Å; R83-L181 WeakPolarHBondContact CG-O 3.24Å; S84-L181 PolarHBondContact N-O 2.71Å; S84-L181 PolarHBondContact OG-N 2.94Å; S84-L181 PolarHBondContact OG-O 2.69Å; I87-L181 HydrophobicContact CD1-CD1 4.48Å; I87-L181 HydrophobicContact CD1-CG 4.25Å; I97-L181 HydrophobicContact CD1-CD1 4.12Å; I97-L181 HydrophobicContact CD1-CD2 3.52Å; I97-L181 HydrophobicContact CD1-CG 4.49Å; I97-L181 HydrophobicContact CG1-CD1 4.05Å; I97-L181 HydrophobicContact CG1-CD2 4.25Å; I97-L181 HydrophobicContact CG2-CD1 3.66Å; F123-L181 WeakPolarHBondContact O-CA 3.43Å; I143-L181 HydrophobicContact CD1-CD2 4.45Å; F179-L181 HydrophobicContact CD2-CD2 4.13Å; F179-L181 HydrophobicContact CD2-CG 4.49Å; F179-L181 HydrophobicContact CE2-CD2 4.16Å; F179-L181 HydrophobicContact CE2-CG 4.33Å; L181-F183 HydrophobicContact CB-CE2 4.37Å; L181-V195 HydrophobicContact CD1-CG1 4.36Å; L181-V197 HydrophobicContact CD1-CG2 3.52Å |
| 182 | A | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 148.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W81 L82 R83 F123 F140 | W81-A182 HydrophobicContact CE3-CB 3.98Å; W81-A182 HydrophobicContact CZ3-CB 4.17Å; L82-A182 CarbonylContact O-C 3.59Å; L82-A182 WeakPolarHBondContact O-CA 3.36Å; R83-A182 HydrophobicContact CB-CB 4.41Å; R83-A182 HydrophobicContact CG-CB 4.39Å; F123-A182 HydrophobicContact CB-CB 4.24Å; F123-A182 PolarHBondContact N-O 3.31Å; F123-A182 PolarHBondContact O-N 2.94Å; F140-A182 HydrophobicContact CD1-CB 3.78Å; F140-A182 HydrophobicContact CE1-CB 3.53Å; F140-A182 HydrophobicContact CZ-CB 4.1Å |
| 183 | F | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127.3 | -179.3 | -56.7 | -100.8 | 0 | 0 | 0 | 107.1 | W44 W52 W81 L82 V99 F120 N121 L122 L181 L192 V195 | W44-F183 HydrophobicContact CE3-CE2 4.43Å; W44-F183 HydrophobicContact CH2-CE2 4.02Å; W44-F183 HydrophobicContact CZ3-CD2 4.07Å; W44-F183 AromaticContact CZ3-CE2 3.5Å; W44-F183 HydrophobicContact CZ3-CE2 3.5Å; W44-F183 VanDerWaalsContact CZ3-CE2 3.5Å; W44-F183 HydrophobicContact CZ3-CZ 4.26Å; W52-F183 HydrophobicContact CZ2-CB 4.33Å; W81-F183 CarbonylContact C-O 3.58Å; W81-F183 WeakPolarHBondContact CA-O 3.45Å; L82-F183 HydrophobicContact CB-CB 4.34Å; L82-F183 HydrophobicContact CD2-CD2 4.4Å; L82-F183 PolarHBondContact N-O 2.82Å; L82-F183 PolarHBondContact O-N 3.32Å; V99-F183 HydrophobicContact CG1-CE1 4.03Å; V99-F183 HydrophobicContact CG2-CE1 3.95Å; V99-F183 HydrophobicContact CG2-CZ 4.42Å; F120-F183 HydrophobicContact CD2-CD1 4.3Å; F120-F183 AromaticContact CE2-CD1 3.81Å; F120-F183 HydrophobicContact CE2-CD1 3.81Å; F120-F183 HydrophobicContact CE2-CE1 4.39Å; N121-F183 WeakPolarHBondContact O-CA 3.33Å; L122-F183 HydrophobicContact CD1-CD1 3.95Å; L122-F183 HydrophobicContact CD1-CE1 3.63Å; L122-F183 HydrophobicContact CD1-CZ 3.92Å; L181-F183 HydrophobicContact CB-CE2 4.37Å; F183-L192 HydrophobicContact CB-CD1 4.24Å; F183-L192 HydrophobicContact CD1-CD1 3.73Å; F183-L192 HydrophobicContact CD1-CD2 4.28Å; F183-L192 HydrophobicContact CD2-CD1 4.28Å; F183-L192 HydrophobicContact CE1-CD1 4.15Å; F183-L192 HydrophobicContact CE1-CD2 4.46Å; F183-L192 HydrophobicContact CG-CD1 3.82Å; F183-V195 HydrophobicContact CE1-CG2 4.28Å; F183-V195 HydrophobicContact CE2-CG2 4.42Å; F183-V195 HydrophobicContact CZ-CG1 4.05Å; F183-V195 HydrophobicContact CZ-CG2 3.69Å |
| 184 | Q | 96.4 | Very high | 93.9 | Very high | 25 Ų | 25 | 25.7 Ų | 25.7 | 12% | 0.117 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 118.8 | 179.7 | 179.6 | -158.8 | 42.6 | 0 | 0 | 109.4 | N79 N80 W81 N121 F123 I186 | N79-Q184 PolarHBondContact OD1-NE2 2.87Å; N80-Q184 CarbonylContact O-C 3.57Å; N80-Q184 WeakPolarHBondContact O-CA 3.31Å; W81-Q184 HydrophobicContact CD2-CB 4.16Å; W81-Q184 HydrophobicContact CD2-CG 4.26Å; W81-Q184 HydrophobicContact CE3-CB 4.26Å; W81-Q184 HydrophobicContact CH2-CB 4.46Å; W81-Q184 HydrophobicContact CZ2-CB 4.36Å; W81-Q184 HydrophobicContact CZ2-CG 4.11Å; W81-Q184 HydrophobicContact CZ3-CB 4.41Å; N121-Q184 HydrophobicContact CB-CB 4.24Å; N121-Q184 PolarHBondContact N-O 3.04Å; N121-Q184 PolarHBondContact ND2-OE1 3.19Å; N121-Q184 PolarHBondContact O-N 2.99Å; F123-Q184 HydrophobicContact CD2-CB 4.2Å; F123-Q184 HydrophobicContact CE2-CB 3.79Å; Q184-I186 HydrophobicContact CG-CG2 4.3Å |
| 185 | D | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 143 | 167.9 | 160.1 | 59.7 | 0 | 0 | 0 | 111 | W52 V70 N79 N80 G187 A188 | W52-D185 HydrophobicContact CZ2-CB 3.84Å; V70-D185 HydrophobicContact CG1-CB 3.69Å; V70-D185 WeakPolarHBondContact CG2-OD2 3.47Å; N79-D185 WeakPolarHBondContact CA-O 3.45Å; N80-D185 HydrophobicContact CB-CB 4.12Å; N80-D185 PolarHBondContact N-O 3.37Å; N80-D185 PolarHBondContact ND2-OD2 2.88Å; N80-D185 PolarHBondContact O-N 2.93Å; D185-G187 PolarHBondContact OD1-N 3.38Å; D185-A188 WeakPolarHBondContact OD1-CB 3.46Å; D185-A188 PolarHBondContact OD1-N 2.87Å |
| 186 | I | 93.2 | Very high | 94.3 | Very high | 60 Ų | 60 | 23.2 Ų | 23.2 | 31% | 0.308 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -128.6 | 19.1 | -178.8 | 58.4 | 162.9 | 0 | 0 | 0 | 112.8 | K117 Q184 | K117-I186 HydrophobicContact CG-CD1 4.33Å; K117-I186 HydrophobicContact CG-CG1 4.21Å; Q184-I186 HydrophobicContact CG-CG2 4.3Å |
| 187 | G | 91.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | S | Bend | trans | 124.9 | 28.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C116 K117 D185 | C116-G187 CarbonylContact C-O 3.59Å; C116-G187 VanDerWaalsContact CA-O 3.32Å; C116-G187 WeakPolarHBondContact CA-O 3.37Å; K117-G187 PolarHBondContact N-O 2.96Å; D185-G187 PolarHBondContact OD1-N 3.38Å |
| 188 | A | 93.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | B | Isolated β-bridge | trans | -91.8 | 171.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C71 K117 D185 I190 | C71-A188 WeakPolarHBondContact CA-O 3.17Å; K117-A188 WeakPolarHBondContact O-CA 3.46Å; K117-A188 VanDerWaalsContact O-CB 3.26Å; K117-A188 WeakPolarHBondContact O-CB 3.27Å; D185-A188 WeakPolarHBondContact OD1-CB 3.46Å; D185-A188 PolarHBondContact OD1-N 2.87Å; A188-I190 HydrophobicContact CB-CG2 4.25Å |
| 189 | C | 93.2 | Very high | 94.6 | Very high | 15 Ų | 15 | 10.9 Ų | 10.9 | 10% | 0.101 | 5% | 0.054 | C | C | . | . | trans | -121.8 | 98.1 | 169 | -168.1 | 0 | 0 | 0 | 0 | 108.4 | V70 C71 V73 R104 M109 | V70-C189 CarbonylContact O-C 3.52Å; V70-C189 WeakPolarHBondContact O-CA 3.38Å; C71-C189 HydrophobicContact CB-CB 3.93Å; C71-C189 WeakPolarHBondContact CB-SG 3.48Å; C71-C189 WeakPolarHBondContact SG-CB 3.46Å; C71-C189 CovalentContact SG-SG 2.05Å; C71-C189 PolarHBondContact SG-SG 3.21Å; V73-C189 HydrophobicContact CG1-CB 3.84Å; R104-C189 HydrophobicContact CB-CB 4.04Å; R104-C189 PolarHBondContact N-O 3.13Å; M109-C189 HydrophobicContact CE-CB 4.08Å; M109-C189 HydrophobicContact SD-CB 4.33Å | ||
| 190 | I | 94.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 12.5 Ų | 12.5 | 3% | 0.031 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 143.5 | -165.2 | 174.5 | 166.2 | 0 | 0 | 0 | 111.2 | W52 Q69 V70 F101 T102 F120 A188 L192 | W52-I190 HydrophobicContact CH2-CG2 3.73Å; W52-I190 HydrophobicContact CZ3-CG2 4.17Å; Q69-I190 VanDerWaalsContact CA-O 3.25Å; Q69-I190 WeakPolarHBondContact CA-O 3.43Å; Q69-I190 WeakPolarHBondContact CB-O 3.19Å; V70-I190 HydrophobicContact CG1-CG2 3.56Å; V70-I190 PolarHBondContact N-O 2.96Å; V70-I190 PolarHBondContact O-N 2.82Å; F101-I190 HydrophobicContact CB-CD1 4.18Å; F101-I190 HydrophobicContact CB-CG1 4.31Å; F101-I190 HydrophobicContact CD2-CD1 3.67Å; F101-I190 HydrophobicContact CD2-CG1 4.14Å; F101-I190 HydrophobicContact CE2-CD1 4.38Å; F101-I190 HydrophobicContact CG-CD1 4.12Å; T102-I190 WeakPolarHBondContact O-CA 3.48Å; T102-I190 WeakPolarHBondContact O-CG1 3.41Å; F120-I190 HydrophobicContact CB-CD1 4.49Å; F120-I190 HydrophobicContact CD1-CD1 3.18Å; F120-I190 HydrophobicContact CE1-CD1 3.3Å; F120-I190 HydrophobicContact CG-CD1 3.87Å; F120-I190 HydrophobicContact CZ-CD1 4.1Å; A188-I190 HydrophobicContact CB-CG2 4.25Å; I190-L192 HydrophobicContact CD1-CD2 4.03Å; I190-L192 HydrophobicContact CG1-CD2 4.5Å |
| 191 | A | 92.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 15.4 Ų | 15.4 | 5% | 0.05 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y68 Q69 F101 T102 | Y68-A191 CarbonylContact O-C 3.47Å; Y68-A191 WeakPolarHBondContact O-CA 3.49Å; Q69-A191 HydrophobicContact CB-CB 3.9Å; F101-A191 CarbonylContact C-O 3.49Å; F101-A191 WeakPolarHBondContact CA-O 3.32Å; F101-A191 VanDerWaalsContact CB-O 3.31Å; F101-A191 WeakPolarHBondContact CB-O 3.41Å; T102-A191 PolarHBondContact N-O 3.43Å; T102-A191 PolarHBondContact O-N 3.48Å |
| 192 | L | 94.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 119.8 | 170.8 | -61.4 | 176.6 | 0 | 0 | 0 | 108.8 | W42 W52 T67 Y68 L82 V99 F101 F120 F183 I190 | W42-L192 HydrophobicContact CH2-CB 4.49Å; W52-L192 HydrophobicContact CH2-CD1 3.9Å; W52-L192 HydrophobicContact CH2-CG 3.98Å; W52-L192 HydrophobicContact CZ3-CD1 3.87Å; W52-L192 HydrophobicContact CZ3-CG 3.83Å; T67-L192 VanDerWaalsContact CA-O 3.27Å; T67-L192 WeakPolarHBondContact CA-O 3.28Å; T67-L192 VanDerWaalsContact CB-O 3.31Å; T67-L192 WeakPolarHBondContact CB-O 3.45Å; Y68-L192 PolarHBondContact N-O 2.88Å; Y68-L192 VanDerWaalsContact N-O 3.08Å; Y68-L192 PolarHBondContact O-N 3.11Å; L82-L192 HydrophobicContact CD2-CD1 3.71Å; V99-L192 HydrophobicContact CG1-CD2 3.81Å; F101-L192 HydrophobicContact CB-CD2 3.9Å; F120-L192 HydrophobicContact CE2-CD2 4.46Å; F120-L192 HydrophobicContact CZ-CD2 4.23Å; F183-L192 HydrophobicContact CB-CD1 4.24Å; F183-L192 HydrophobicContact CD1-CD1 3.73Å; F183-L192 HydrophobicContact CD1-CD2 4.28Å; F183-L192 HydrophobicContact CD2-CD1 4.28Å; F183-L192 HydrophobicContact CE1-CD1 4.15Å; F183-L192 HydrophobicContact CE1-CD2 4.46Å; F183-L192 HydrophobicContact CG-CD1 3.82Å; I190-L192 HydrophobicContact CD1-CD2 4.03Å; I190-L192 HydrophobicContact CG1-CD2 4.5Å |
| 193 | T | 90.4 | Very high | 94.1 | Very high | 27 Ų | 27 | 17.7 Ų | 17.7 | 17% | 0.166 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -29.4 | -175 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | T67 K100 T102 L164 | T67-T193 HydrophobicContact CG2-CG2 4.21Å; K100-T193 VanDerWaalsContact C-OG1 3.26Å; K100-T193 WeakPolarHBondContact CB-OG1 3.49Å; K100-T193 PolarHBondContact O-N 2.99Å; K100-T193 PolarHBondContact O-OG1 3.09Å; K100-T193 VanDerWaalsContact O-OG1 3.08Å; T102-T193 HydrophobicContact CG2-CG2 4.42Å; L164-T193 HydrophobicContact CD1-CG2 4.14Å; L164-T193 VanDerWaalsContact CD1-OG1 3.27Å; L164-T193 WeakPolarHBondContact CD1-OG1 3.4Å |
| 194 | S | 91.8 | Very high | 93.8 | Very high | 9 Ų | 9 | 19.2 Ų | 19.2 | 6% | 0.063 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 145 | 175.8 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | T36 K100 | T36-S194 VanDerWaalsContact CG2-OG 3.26Å; T36-S194 WeakPolarHBondContact CG2-OG 3.19Å; K100-S194 PolarHBondContact N-O 2.7Å; K100-S194 PolarHBondContact O-N 2.98Å |
| 195 | V | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 119.1 | 169.3 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | T35 W42 W44 I97 E98 V99 L181 F183 V197 | T35-V195 HydrophobicContact CG2-CB 4.19Å; T35-V195 PolarHBondContact N-O 3.07Å; T35-V195 PolarHBondContact OG1-N 2.62Å; W42-V195 HydrophobicContact CZ3-CG2 4.4Å; W44-V195 HydrophobicContact CH2-CB 3.81Å; W44-V195 HydrophobicContact CH2-CG1 4.12Å; W44-V195 HydrophobicContact CH2-CG2 3.76Å; W44-V195 HydrophobicContact CZ3-CG2 4.21Å; I97-V195 HydrophobicContact CG2-CG1 4.44Å; E98-V195 WeakPolarHBondContact O-CA 3.32Å; V99-V195 HydrophobicContact CG1-CG2 4.4Å; L181-V195 HydrophobicContact CD1-CG1 4.36Å; F183-V195 HydrophobicContact CE1-CG2 4.28Å; F183-V195 HydrophobicContact CE2-CG2 4.42Å; F183-V195 HydrophobicContact CZ-CG1 4.05Å; F183-V195 HydrophobicContact CZ-CG2 3.69Å; V195-V197 HydrophobicContact CG1-CG2 4.34Å |
| 196 | R | 96.3 | Very high | 93.4 | Very high | 41 Ų | 41 | 23.8 Ų | 23.8 | 16% | 0.155 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.2 | 177.1 | 179.7 | -173.6 | 169.5 | -127.6 | -3.9 | 108.9 | E29 N31 L33 D34 E98 Y198 | E29-R196 IonicContact OE2-CZ 2.74Å; E29-R196 VanDerWaalsContact OE2-CZ 3.28Å; E29-R196 IonicContact OE2-NH1 3.25Å; E29-R196 PolarHBondContact OE2-NH1 3.1Å; E29-R196 IonicContact OE2-NH2 3.93Å; E29-R196 PolarHBondContact OE2-NH2 2.78Å; N31-R196 VanDerWaalsContact OD1-CZ 3.3Å; N31-R196 PolarHBondContact OD1-NE 3.47Å; N31-R196 PolarHBondContact OD1-NH2 2.74Å; L33-R196 CarbonylContact O-C 3.54Å; L33-R196 WeakPolarHBondContact O-CA 3.34Å; D34-R196 HydrophobicContact CB-CG 4.36Å; E98-R196 HydrophobicContact CB-CB 4.27Å; E98-R196 PolarHBondContact N-O 3.42Å; E98-R196 PolarHBondContact O-N 3.35Å; E98-R196 IonicContact OE2-NH1 2.68Å; R196-Y198 HydrophobicContact CG-CD1 4.19Å |
| 197 | V | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126 | 176.1 | -168.6 | 0 | 0 | 0 | 0 | 108.4 | L32 L33 I87 I95 Y96 I97 F179 L181 V195 | L32-V197 PolarHBondContact N-O 3.26Å; L33-V197 HydrophobicContact CB-CB 4.04Å; L33-V197 HydrophobicContact CB-CG2 4.11Å; L33-V197 HydrophobicContact CD2-CG2 4.13Å; L33-V197 PolarHBondContact N-O 3.29Å; L33-V197 PolarHBondContact O-N 3.12Å; L33-V197 VanDerWaalsContact O-O 3.13Å; I87-V197 HydrophobicContact CD1-CG2 4.16Å; I95-V197 HydrophobicContact CB-CG1 4.27Å; I95-V197 HydrophobicContact CD1-CG1 4.06Å; Y96-V197 WeakPolarHBondContact O-CA 3.34Å; I97-V197 HydrophobicContact CG1-CG1 4.23Å; I97-V197 HydrophobicContact CG1-CG2 4.48Å; I97-V197 HydrophobicContact CG2-CG2 4.46Å; F179-V197 HydrophobicContact CE2-CG1 4.07Å; F179-V197 HydrophobicContact CZ-CG1 3.84Å; L181-V197 HydrophobicContact CD1-CG2 3.52Å; V195-V197 HydrophobicContact CG1-CG2 4.34Å |
| 198 | Y | 95.4 | Very high | 93.2 | Very high | 14 Ų | 14 | 29.2 Ų | 29.2 | 6% | 0.055 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 166.2 | -176.5 | 65.6 | -89.5 | 0 | 0 | 0 | 111.2 | E29 V30 I95 Y96 E98 R196 K200 | E29-Y198 HydrophobicContact CB-CD2 3.8Å; E29-Y198 HydrophobicContact CB-CE2 4.22Å; E29-Y198 HydrophobicContact CB-CG 4.48Å; E29-Y198 HydrophobicContact CG-CD2 3.84Å; E29-Y198 HydrophobicContact CG-CE2 3.74Å; E29-Y198 WeakPolarHBondContact OE1-CE2 3.4Å; E29-Y198 PolarHBondContact OE1-OH 3.27Å; V30-Y198 CarbonylContact O-C 3.56Å; V30-Y198 WeakPolarHBondContact O-CA 3.15Å; V30-Y198 VanDerWaalsContact O-CB 3.27Å; V30-Y198 WeakPolarHBondContact O-CB 3.38Å; I95-Y198 CarbonylContact C-O 3.54Å; I95-Y198 WeakPolarHBondContact CA-O 3.45Å; Y96-Y198 HydrophobicContact CD2-CD2 4.37Å; Y96-Y198 HydrophobicContact CD2-CE2 4.06Å; Y96-Y198 AromaticContact CG-CE2 3.97Å; Y96-Y198 HydrophobicContact CG-CE2 3.97Å; Y96-Y198 PolarHBondContact N-O 3.22Å; Y96-Y198 PolarHBondContact O-N 2.99Å; E98-Y198 HydrophobicContact CB-CE1 4.41Å; R196-Y198 HydrophobicContact CG-CD1 4.19Å; Y198-K200 HydrophobicContact CE2-CG 4.31Å |
| 199 | Y | 94.2 | Very high | 93.3 | Very high | 20 Ų | 20 | 29.2 Ų | 29.2 | 8% | 0.078 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 166.7 | 169.1 | 73.1 | -88.1 | 0 | 0 | 0 | 110.6 | E29 V30 L32 E90 A92 R94 V216 | E29-Y199 WeakPolarHBondContact CA-O 3.33Å; V30-Y199 HydrophobicContact CB-CD1 3.95Å; V30-Y199 HydrophobicContact CB-CE1 3.5Å; V30-Y199 HydrophobicContact CB-CE2 4.18Å; V30-Y199 HydrophobicContact CB-CG 4.48Å; V30-Y199 HydrophobicContact CG1-CD1 4.29Å; V30-Y199 HydrophobicContact CG1-CE1 3.49Å; V30-Y199 VanDerWaalsContact CG1-CE1 3.49Å; V30-Y199 HydrophobicContact CG2-CE1 4.38Å; V30-Y199 HydrophobicContact CG2-CE2 4.28Å; V30-Y199 PolarHBondContact N-O 2.84Å; V30-Y199 PolarHBondContact O-N 2.8Å; L32-Y199 HydrophobicContact CD1-CD1 4.16Å; L32-Y199 HydrophobicContact CD2-CD1 3.7Å; L32-Y199 HydrophobicContact CD2-CE1 3.76Å; L32-Y199 HydrophobicContact CG-CD1 3.89Å; L32-Y199 HydrophobicContact CG-CE1 4.43Å; E90-Y199 HydrophobicContact CB-CE1 4.4Å; A92-Y199 VanDerWaalsContact CB-CB 3.41Å; A92-Y199 HydrophobicContact CB-CD1 3.74Å; A92-Y199 HydrophobicContact CB-CD2 3.98Å; A92-Y199 HydrophobicContact CB-CE1 4.45Å; A92-Y199 HydrophobicContact CB-CG 3.45Å; A92-Y199 VanDerWaalsContact CB-CG 3.45Å; R94-Y199 WeakPolarHBondContact O-CB 3.25Å; Y199-V216 HydrophobicContact CD2-CG1 3.96Å; Y199-V216 HydrophobicContact CE2-CG1 4.06Å; Y199-V216 HydrophobicContact CE2-CG2 4.03Å |
| 200 | K | 93.3 | Very high | 93.3 | Very high | 34 Ų | 34 | 28.5 Ų | 28.5 | 15% | 0.148 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 148.3 | -178.6 | -62.4 | -166.6 | 172.2 | -152.4 | 0 | 111.8 | N28 E29 Y96 Y198 T217 E248 | N28-K200 CarbonylContact O-C 3.58Å; N28-K200 VanDerWaalsContact O-CA 3.28Å; N28-K200 WeakPolarHBondContact O-CA 3.23Å; E29-K200 HydrophobicContact CG-CG 4.41Å; E29-K200 VanDerWaalsContact OE1-CE 3.28Å; E29-K200 WeakPolarHBondContact OE1-CE 3.46Å; E29-K200 IonicContact OE1-NZ 3.56Å; E29-K200 PolarHBondContact OE1-NZ 2.9Å; Y96-K200 HydrophobicContact CD2-CD 4.4Å; Y96-K200 HydrophobicContact CD2-CG 4.02Å; Y96-K200 HydrophobicContact CE2-CB 4.32Å; Y96-K200 HydrophobicContact CE2-CD 3.88Å; Y96-K200 HydrophobicContact CE2-CG 3.69Å; Y198-K200 HydrophobicContact CE2-CG 4.31Å; K200-T217 HydrophobicContact CB-CG2 3.86Å; K200-T217 WeakPolarHBondContact O-CG2 3.36Å; K200-T217 PolarHBondContact O-N 2.96Å; K200-T217 VanDerWaalsContact O-N 3.17Å; K200-T217 PolarHBondContact O-OG1 3.33Å; K200-E248 WeakPolarHBondContact CD-O 3.01Å |
| 201 | R | 93.1 | Very high | 93.4 | Very high | 66 Ų | 66 | 30.8 Ų | 30.8 | 25% | 0.249 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 151.9 | 173.8 | 63.5 | 174.4 | 179.4 | 165.7 | 4.6 | 110.1 | N28 V30 D214 V215 | N28-R201 WeakPolarHBondContact CA-O 3.03Å; N28-R201 WeakPolarHBondContact CB-O 3.38Å; N28-R201 PolarHBondContact O-N 2.79Å; V30-R201 HydrophobicContact CG2-CG 4.06Å; V30-R201 VanDerWaalsContact CG2-NE 3.33Å; R201-D214 IonicContact CZ-OD2 3.05Å; R201-D214 IonicContact NH1-OD2 3.84Å; R201-D214 PolarHBondContact NH1-OD2 2.73Å; R201-V215 CarbonylContact C-O 3.54Å; R201-V215 VanDerWaalsContact CA-O 3.23Å; R201-V215 WeakPolarHBondContact CA-O 3.48Å; R201-V215 VanDerWaalsContact CB-O 3.28Å; R201-V215 WeakPolarHBondContact CB-O 3.41Å |
| 202 | C | 93.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 122.5 | 162.4 | -59.2 | 0 | 0 | 0 | 0 | 108.6 | D214 V215 C245 G249 E250 W251 | C202-D214 WeakPolarHBondContact O-CA 3.09Å; C202-V215 HydrophobicContact CB-CG1 4.07Å; C202-V215 PolarHBondContact N-O 3.02Å; C202-V215 PolarHBondContact O-N 3.02Å; C202-V215 VanDerWaalsContact O-N 3.1Å; C202-C245 HydrophobicContact CB-CB 3.81Å; C202-C245 WeakPolarHBondContact CB-SG 3.16Å; C202-C245 PolarHBondContact N-SG 2.99Å; C202-C245 WeakPolarHBondContact SG-CA 3.42Å; C202-C245 WeakPolarHBondContact SG-CB 3.43Å; C202-C245 CovalentContact SG-SG 2.02Å; C202-C245 PolarHBondContact SG-SG 2.81Å; C202-G249 WeakPolarHBondContact CA-O 3.49Å; C202-G249 PolarHBondContact SG-O 2.8Å; C202-G249 VanDerWaalsContact SG-O 3.33Å; C202-E250 PolarHBondContact SG-O 2.85Å; C202-W251 HydrophobicContact CB-CD2 3.73Å; C202-W251 VanDerWaalsContact CB-CE2 3.44Å; C202-W251 HydrophobicContact CB-CE3 4.3Å; C202-W251 HydrophobicContact CB-CG 4.05Å; C202-W251 HydrophobicContact CB-CH2 4.39Å; C202-W251 HydrophobicContact CB-CZ2 3.81Å |
| 203 | V | 93.1 | Very high | 93.3 | Very high | 48 Ų | 48 | 35.1 Ų | 35.1 | 29% | 0.291 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -73.7 | 139.2 | 178.1 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | S27 W251 | S27-V203 WeakPolarHBondContact O-CG2 3.37Å; V203-W251 PolarHBondContact O-NE1 3.45Å |
| 204 | G | 91.3 | Very high | 93.4 | Very high | 32 Ų | 32 | 37.6 Ų | 37.6 | 33% | 0.33 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -58 | 140.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F212 D214 | G204-F212 CarbonylContact C-O 3.48Å; G204-F212 WeakPolarHBondContact CA-O 3.33Å; G204-D214 WeakPolarHBondContact CA-OD1 3.44Å; G204-D214 PolarHBondContact N-OD1 3.21Å |
| 205 | V | 91.8 | Very high | 93.5 | Very high | 50 Ų | 50 | 38.6 Ų | 38.6 | 30% | 0.303 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 149 | -176.7 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | F212 M243 W251 | V205-F212 HydrophobicContact CG2-CB 4.23Å; V205-F212 HydrophobicContact CG2-CD2 4.46Å; V205-F212 PolarHBondContact N-O 2.88Å; V205-F212 PolarHBondContact O-N 3.29Å; V205-M243 HydrophobicContact CG2-SD 4.32Å; V205-W251 HydrophobicContact CG2-CG 4.26Å |
| 206 | N | 91.9 | Very high | 93.4 | Very high | 71 Ų | 71 | 40.9 Ų | 40.9 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 134 | 161.3 | -66.7 | 24 | 0 | 0 | 0 | 108.4 | A210 D269 | N206-A210 CarbonylContact C-O 3.51Å; N206-A210 VanDerWaalsContact CA-O 3.32Å; N206-A210 WeakPolarHBondContact CA-O 3.49Å; N206-D269 HydrophobicContact CB-CB 3.73Å |
| 207 | R | 90 | Very high | 93.2 | Very high | 117 Ų | 117 | 39 Ų | 39 | 44% | 0.442 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 146.9 | 170.1 | -82.8 | -151.6 | 171 | 171.5 | 4.1 | 111.3 | L209 A210 F212 M243 | R207-L209 PolarHBondContact O-N 3.13Å; R207-A210 PolarHBondContact N-O 3.23Å; R207-A210 PolarHBondContact O-N 3.01Å; R207-A210 VanDerWaalsContact O-O 3.08Å; R207-F212 HydrophobicContact CB-CE2 4.38Å; R207-M243 HydrophobicContact CB-SD 4.43Å |
| 208 | N | 92.1 | Very high | 92.8 | Very high | 57 Ų | 57 | 39.3 Ų | 39.3 | 31% | 0.305 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 37.8 | 178.1 | -61.7 | 6.5 | 0 | 0 | 0 | 112.4 | A210 G256 R257 C258 | N208-A210 PolarHBondContact O-N 2.88Å; N208-G256 PolarHBondContact ND2-O 3.17Å; N208-R257 HydrophobicContact CB-CB 3.77Å; N208-C258 PolarHBondContact O-N 2.93Å |
| 209 | L | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 27.1 | -173.6 | -61.6 | 170.7 | 0 | 0 | 0 | 114.8 | R207 C231 V232 A235 C258 C260 E266 | R207-L209 PolarHBondContact O-N 3.13Å; L209-C231 WeakPolarHBondContact O-CA 3.21Å; L209-V232 HydrophobicContact CB-CG2 4.03Å; L209-V232 HydrophobicContact CD2-CG2 3.97Å; L209-V232 WeakPolarHBondContact O-CG2 3.47Å; L209-V232 PolarHBondContact O-N 3.01Å; L209-A235 HydrophobicContact CB-CB 4.34Å; L209-C258 HydrophobicContact CB-CB 3.92Å; L209-C258 WeakPolarHBondContact O-CB 3.1Å; L209-C260 VanDerWaalsContact CD1-SG 3.5Å; L209-E266 HydrophobicContact CD1-CB 4.26Å; L209-E266 HydrophobicContact CD1-CG 4.13Å; L209-E266 HydrophobicContact CD2-CG 4.11Å; L209-E266 HydrophobicContact CG-CG 4.3Å |
| 210 | A | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N206 R207 N208 F212 Q230 P241 | N206-A210 CarbonylContact C-O 3.51Å; N206-A210 VanDerWaalsContact CA-O 3.32Å; N206-A210 WeakPolarHBondContact CA-O 3.49Å; R207-A210 PolarHBondContact N-O 3.23Å; R207-A210 PolarHBondContact O-N 3.01Å; R207-A210 VanDerWaalsContact O-O 3.08Å; N208-A210 PolarHBondContact O-N 2.88Å; A210-F212 HydrophobicContact CB-CE2 3.83Å; A210-F212 HydrophobicContact CB-CZ 4.08Å; A210-Q230 CarbonylContact C-O 3.54Å; A210-Q230 VanDerWaalsContact CA-O 3.27Å; A210-Q230 WeakPolarHBondContact CA-O 3.46Å; A210-P241 HydrophobicContact CB-CB 3.5Å; A210-P241 VanDerWaalsContact CB-CB 3.5Å; A210-P241 HydrophobicContact CB-CG 3.74Å |
| 211 | V | 94.9 | Very high | 90.7 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 33% | 0.333 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 128.6 | 174.3 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | G229 Q230 V232 | V211-G229 CarbonylContact O-C 3.55Å; V211-G229 VanDerWaalsContact O-CA 3.26Å; V211-G229 WeakPolarHBondContact O-CA 3.42Å; V211-Q230 PolarHBondContact N-O 2.92Å; V211-Q230 PolarHBondContact O-N 2.94Å; V211-V232 HydrophobicContact CG2-CG1 3.82Å |
| 212 | F | 94.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.1 | 172.1 | -59.9 | -92 | 0 | 0 | 0 | 108.1 | G204 V205 R207 A210 V227 G229 P241 M243 W251 | G204-F212 CarbonylContact C-O 3.48Å; G204-F212 WeakPolarHBondContact CA-O 3.33Å; V205-F212 HydrophobicContact CG2-CB 4.23Å; V205-F212 HydrophobicContact CG2-CD2 4.46Å; V205-F212 PolarHBondContact N-O 2.88Å; V205-F212 PolarHBondContact O-N 3.29Å; R207-F212 HydrophobicContact CB-CE2 4.38Å; A210-F212 HydrophobicContact CB-CE2 3.83Å; A210-F212 HydrophobicContact CB-CZ 4.08Å; F212-V227 HydrophobicContact CD1-CG1 4.36Å; F212-G229 VanDerWaalsContact CE1-N 3.31Å; F212-P241 HydrophobicContact CZ-CB 4Å; F212-M243 HydrophobicContact CD1-CB 3.78Å; F212-M243 HydrophobicContact CD1-CG 3.86Å; F212-M243 HydrophobicContact CD1-SD 3.98Å; F212-M243 HydrophobicContact CD2-CG 4.29Å; F212-M243 HydrophobicContact CD2-SD 3.45Å; F212-M243 WeakPolarHBondContact CD2-SD 3.45Å; F212-M243 HydrophobicContact CE1-CB 3.74Å; F212-M243 HydrophobicContact CE1-CG 3.51Å; F212-M243 HydrophobicContact CE1-SD 3.99Å; F212-M243 HydrophobicContact CE2-CG 3.98Å; F212-M243 HydrophobicContact CE2-SD 3.46Å; F212-M243 WeakPolarHBondContact CE2-SD 3.4Å; F212-M243 HydrophobicContact CG-CB 4.39Å; F212-M243 HydrophobicContact CG-CG 4.23Å; F212-M243 HydrophobicContact CG-SD 3.72Å; F212-M243 HydrophobicContact CZ-CB 4.32Å; F212-M243 HydrophobicContact CZ-CG 3.57Å; F212-M243 HydrophobicContact CZ-SD 3.74Å; F212-W251 HydrophobicContact CB-CH2 4.15Å; F212-W251 HydrophobicContact CB-CZ2 3.98Å |
| 213 | T | 92.2 | Very high | 89.6 | Confident | 96 Ų | 96 | 47.5 Ų | 47.5 | 59% | 0.589 | 28% | 0.284 | S | S | * | . | trans | -78.3 | 159.3 | -177.8 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | V215 | T213-V215 PolarHBondContact O-N 3.19Š| ||
| 214 | D | 91.7 | Very high | 89.4 | Confident | 79 Ų | 79 | 49.9 Ų | 49.9 | 42% | 0.422 | 29% | 0.294 | S | S | . | . | trans | -44.4 | 132.6 | 169.3 | -75.4 | 25.7 | 0 | 0 | 0 | 112.4 | R201 C202 G204 | R201-D214 IonicContact CZ-OD2 3.05Å; R201-D214 IonicContact NH1-OD2 3.84Å; R201-D214 PolarHBondContact NH1-OD2 2.73Å; C202-D214 WeakPolarHBondContact O-CA 3.09Å; G204-D214 WeakPolarHBondContact CA-OD1 3.44Å; G204-D214 PolarHBondContact N-OD1 3.21Å | ||
| 215 | V | 93 | Very high | 89.4 | Confident | 30 Ų | 30 | 50.3 Ų | 50.3 | 18% | 0.182 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 135.4 | 176 | 70.1 | 0 | 0 | 0 | 0 | 111.6 | R201 C202 T213 V225 V227 C245 W251 | R201-V215 CarbonylContact C-O 3.54Å; R201-V215 VanDerWaalsContact CA-O 3.23Å; R201-V215 WeakPolarHBondContact CA-O 3.48Å; R201-V215 VanDerWaalsContact CB-O 3.28Å; R201-V215 WeakPolarHBondContact CB-O 3.41Å; C202-V215 HydrophobicContact CB-CG1 4.07Å; C202-V215 PolarHBondContact N-O 3.02Å; C202-V215 PolarHBondContact O-N 3.02Å; C202-V215 VanDerWaalsContact O-N 3.1Å; T213-V215 PolarHBondContact O-N 3.19Å; V215-V225 HydrophobicContact CG2-CG1 3.81Å; V215-V227 HydrophobicContact CB-CG2 3.94Å; V215-V227 HydrophobicContact CG1-CG2 3.77Å; V215-V227 HydrophobicContact CG2-CG2 3.91Å; V215-C245 HydrophobicContact CG1-CB 3.45Å; V215-C245 VanDerWaalsContact CG1-CB 3.45Å; V215-W251 HydrophobicContact CG1-CH2 3.65Å; V215-W251 HydrophobicContact CG1-CZ2 4.07Å; V215-W251 HydrophobicContact CG1-CZ3 4.27Å |
| 216 | V | 93.4 | Very high | 89.4 | Confident | 47 Ų | 47 | 52.4 Ų | 52.4 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 140.2 | 176.1 | -176.8 | 0 | 0 | 0 | 0 | 109.6 | Y199 | Y199-V216 HydrophobicContact CD2-CG1 3.96Å; Y199-V216 HydrophobicContact CE2-CG1 4.06Å; Y199-V216 HydrophobicContact CE2-CG2 4.03Å |
| 217 | T | 92.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | trans | -66.8 | 160.3 | 179.2 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | K200 S246 | K200-T217 HydrophobicContact CB-CG2 3.86Å; K200-T217 WeakPolarHBondContact O-CG2 3.36Å; K200-T217 PolarHBondContact O-N 2.96Å; K200-T217 VanDerWaalsContact O-N 3.17Å; K200-T217 PolarHBondContact O-OG1 3.33Å; T217-S246 WeakPolarHBondContact CG2-O 3.26Å | ||
| 218 | G | 87.8 | Confident | 89.7 | Confident | 7 Ų | 7 | 51.6 Ų | 51.6 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | trans | -72.1 | 178.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S223 | G218-S223 WeakPolarHBondContact CA-OG 3.12Š| ||
| 219 | A | 82.3 | Confident | 89.8 | Confident | 12 Ų | 12 | 49 Ų | 49 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -75.1 | -37.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R93 R94 P173 | R93-A219 HydrophobicContact CB-CB 4.22Å; R94-A219 WeakPolarHBondContact CD-O 3.38Å; R94-A219 PolarHBondContact NH1-O 3.24Å; P173-A219 HydrophobicContact CB-CB 3.64Å; P173-A219 HydrophobicContact CG-CB 4.46Å |
| 220 | D | 82.8 | Confident | 89.8 | Confident | 88 Ų | 88 | 56.5 Ų | 56.5 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -96.3 | 150.7 | -170.2 | -49 | -59.5 | 0 | 0 | 0 | 111 | S222 S223 A247 | D220-S222 PolarHBondContact O-N 3.39Å; D220-S222 VanDerWaalsContact O-N 3.12Å; D220-S223 PolarHBondContact N-OG 3.41Å; D220-S223 VanDerWaalsContact O-CB 3.3Å; D220-S223 WeakPolarHBondContact O-CB 3.34Å; D220-S223 PolarHBondContact O-N 2.82Å; D220-S223 PolarHBondContact O-OG 3.02Å; D220-A247 WeakPolarHBondContact O-CB 3.19Å |
| 221 | S | 75.1 | Confident | 89.9 | Confident | 81 Ų | 81 | 58 Ų | 58 | 57% | 0.566 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -11.6 | -179.8 | 49.8 | 0 | 0 | 0 | 0 | 114.4 | ||
| 222 | S | 80.1 | Confident | 89.9 | Confident | 104 Ų | 104 | 56 Ų | 56 | 73% | 0.727 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 6.3 | 172.6 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | D220 | D220-S222 PolarHBondContact O-N 3.39Å; D220-S222 VanDerWaalsContact O-N 3.12Å |
| 223 | S | 83.1 | Confident | 89.9 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | trans | -72.1 | 138 | -174.4 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | G218 D220 A247 | G218-S223 WeakPolarHBondContact CA-OG 3.12Å; D220-S223 PolarHBondContact N-OG 3.41Å; D220-S223 VanDerWaalsContact O-CB 3.3Å; D220-S223 WeakPolarHBondContact O-CB 3.34Å; D220-S223 PolarHBondContact O-N 2.82Å; D220-S223 PolarHBondContact O-OG 3.02Å; S223-A247 PolarHBondContact O-N 2.96Å | ||
| 224 | L | 87.9 | Confident | 90.1 | Very high | 99 Ų | 99 | 63 Ų | 63 | 52% | 0.518 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 121.6 | 175.1 | -61.9 | -175.1 | 0 | 0 | 0 | 109.1 | Y244 C245 L252 | L224-Y244 HydrophobicContact CB-CD1 4.36Å; L224-C245 WeakPolarHBondContact CA-O 3.33Å; L224-L252 HydrophobicContact CD1-CD1 4.19Å; L224-L252 HydrophobicContact CD2-CD1 3.48Å; L224-L252 VanDerWaalsContact CD2-CD1 3.48Å; L224-L252 HydrophobicContact CG-CD1 4.48Å |
| 225 | V | 90.6 | Very high | 90.2 | Very high | 41 Ų | 41 | 60.1 Ų | 60.1 | 25% | 0.248 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 111.8 | 177.1 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | V215 Y244 C245 | V215-V225 HydrophobicContact CG2-CG1 3.81Å; V225-Y244 CarbonylContact O-C 3.59Å; V225-Y244 WeakPolarHBondContact O-CA 3.4Å; V225-C245 HydrophobicContact CB-CB 4.33Å; V225-C245 PolarHBondContact N-O 3.21Å; V225-C245 PolarHBondContact O-N 3.45Å |
| 226 | E | 92.5 | Very high | 90.3 | Very high | 94 Ų | 94 | 63.4 Ų | 63.4 | 44% | 0.439 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 130.6 | 173.1 | -171.4 | 176.8 | 116.7 | 0 | 0 | 110.5 | K242 Y244 | E226-K242 HydrophobicContact CG-CD 4.41Å; E226-K242 VanDerWaalsContact OE1-CE 3.3Å; E226-K242 WeakPolarHBondContact OE1-CE 3.5Å; E226-K242 IonicContact OE1-NZ 3.33Å; E226-K242 PolarHBondContact OE1-NZ 2.87Å; E226-K242 IonicContact OE2-NZ 2.79Å; E226-Y244 HydrophobicContact CB-CD1 3.88Å; E226-Y244 HydrophobicContact CB-CE1 3.58Å; E226-Y244 HydrophobicContact CG-CD1 4.27Å; E226-Y244 HydrophobicContact CG-CE1 3.68Å; E226-Y244 PolarHBondContact OE2-OH 3.27Å |
| 227 | V | 93.9 | Very high | 90.3 | Very high | 18 Ų | 18 | 65.3 Ų | 65.3 | 11% | 0.109 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 121.5 | 171.5 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | F212 V215 K242 M243 W251 | F212-V227 HydrophobicContact CD1-CG1 4.36Å; V215-V227 HydrophobicContact CB-CG2 3.94Å; V215-V227 HydrophobicContact CG1-CG2 3.77Å; V215-V227 HydrophobicContact CG2-CG2 3.91Å; V227-K242 WeakPolarHBondContact O-CA 3.38Å; V227-M243 PolarHBondContact N-O 2.86Å; V227-M243 PolarHBondContact O-N 3.22Å; V227-W251 HydrophobicContact CB-CH2 3.78Å; V227-W251 HydrophobicContact CB-CZ3 3.98Å; V227-W251 HydrophobicContact CG1-CH2 4.09Å; V227-W251 HydrophobicContact CG2-CH2 3.74Å; V227-W251 HydrophobicContact CG2-CZ3 4.04Å |
| 228 | R | 94.2 | Very high | 90.2 | Very high | 152 Ų | 152 | 72 Ų | 72 | 57% | 0.574 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 128.2 | 168.9 | -175.3 | -178.7 | 179.2 | 167.4 | 5.2 | 108.7 | E237 T240 P241 | R228-E237 IonicContact CZ-OE2 3.51Å; R228-E237 IonicContact NE-OE2 2.74Å; R228-E237 IonicContact NH2-OE1 3.63Å; R228-E237 PolarHBondContact NH2-OE1 3.43Å; R228-E237 IonicContact NH2-OE2 3.67Å; R228-E237 PolarHBondContact NH2-OE2 3.09Å; R228-T240 HydrophobicContact CG-CG2 4.21Å; R228-P241 WeakPolarHBondContact CA-O 3.45Å |
| 229 | G | 94.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 75.8 Ų | 75.8 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | trans | -77.6 | 159.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V211 F212 P241 | V211-G229 CarbonylContact O-C 3.55Å; V211-G229 VanDerWaalsContact O-CA 3.26Å; V211-G229 WeakPolarHBondContact O-CA 3.42Å; F212-G229 VanDerWaalsContact CE1-N 3.31Å; G229-P241 PolarHBondContact N-O 2.04Å; G229-P241 WeakPolarHBondContact O-CG 3.44Å | ||
| 230 | Q | 95.3 | Very high | 90.8 | Very high | 156 Ų | 156 | 78 Ų | 78 | 73% | 0.729 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.9 | 171.6 | -177.9 | 171.3 | -5.3 | 0 | 0 | 109 | A210 V211 V232 | A210-Q230 CarbonylContact C-O 3.54Å; A210-Q230 VanDerWaalsContact CA-O 3.27Å; A210-Q230 WeakPolarHBondContact CA-O 3.46Å; V211-Q230 PolarHBondContact N-O 2.92Å; V211-Q230 PolarHBondContact O-N 2.94Å; Q230-V232 PolarHBondContact O-N 3.3Å |
| 231 | C | 95.3 | Very high | 91.3 | Very high | 31 Ų | 31 | 73.8 Ų | 73.8 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 141 | 178.1 | -63 | 0 | 0 | 0 | 0 | 111.6 | L209 A235 C258 | L209-C231 WeakPolarHBondContact O-CA 3.21Å; C231-A235 HydrophobicContact CB-CB 4.17Å; C231-C258 WeakPolarHBondContact CA-SG 3.44Å; C231-C258 HydrophobicContact CB-CB 3.72Å; C231-C258 WeakPolarHBondContact CB-SG 3.25Å; C231-C258 WeakPolarHBondContact SG-CB 3.44Å; C231-C258 CovalentContact SG-SG 2.03Å; C231-C258 PolarHBondContact SG-SG 3.31Å |
| 232 | V | 95.3 | Very high | 92.2 | Very high | 15 Ų | 15 | 73 Ų | 73 | 9% | 0.091 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 162.4 | 173.1 | -60.7 | 0 | 0 | 0 | 0 | 110.8 | L209 V211 Q230 H234 A235 | L209-V232 HydrophobicContact CB-CG2 4.03Å; L209-V232 HydrophobicContact CD2-CG2 3.97Å; L209-V232 WeakPolarHBondContact O-CG2 3.47Å; L209-V232 PolarHBondContact O-N 3.01Å; V211-V232 HydrophobicContact CG2-CG1 3.82Å; Q230-V232 PolarHBondContact O-N 3.3Å; V232-H234 PolarHBondContact O-N 2.67Å; V232-A235 HydrophobicContact CG2-CB 3.73Å; V232-A235 WeakPolarHBondContact O-CB 3.4Å; V232-A235 PolarHBondContact O-N 3.42Å |
| 233 | D | 94.9 | Very high | 92.7 | Very high | 136 Ų | 136 | 68 Ų | 68 | 73% | 0.727 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 137.9 | 176.3 | -64.8 | -44 | 0 | 0 | 0 | 111.3 | A235 | D233-A235 PolarHBondContact O-N 2.86Š|
| 234 | H | 95.6 | Very high | 93.2 | Very high | 107 Ų | 107 | 69.8 Ų | 69.8 | 50% | 0.495 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 24.4 | -174.5 | -45.6 | -72.4 | 0 | 0 | 0 | 115 | V232 S261 F264 C271 | V232-H234 PolarHBondContact O-N 2.67Å; H234-S261 WeakPolarHBondContact O-CB 3.45Å; H234-S261 PolarHBondContact O-N 3.05Å; H234-S261 PolarHBondContact O-OG 2.83Å; H234-F264 HydrophobicContact CB-CB 4.41Å; H234-F264 HydrophobicContact CB-CD1 3.55Å; H234-F264 HydrophobicContact CB-CD2 3.97Å; H234-F264 HydrophobicContact CB-CE1 3.7Å; H234-F264 HydrophobicContact CB-CE2 4.1Å; H234-F264 HydrophobicContact CB-CG 3.72Å; H234-F264 HydrophobicContact CB-CZ 3.98Å; H234-F264 AromaticContact CD2-CE1 3.54Å; H234-F264 AromaticContact CD2-CZ 3.97Å; H234-F264 AromaticContact CE1-CZ 3.82Å; H234-F264 AromaticContact CG-CD1 3.81Å; H234-F264 AromaticContact CG-CE1 3.38Å; H234-F264 AromaticContact CG-CZ 3.52Å; H234-F264 AromaticContact ND1-CE1 3.8Å; H234-F264 AromaticContact ND1-CE2 3.86Å; H234-F264 AromaticContact ND1-CZ 3.42Å; H234-F264 WeakPolarHBondContact ND1-CZ 3.45Å; H234-C271 HydrophobicContact CB-CB 4.17Å |
| 235 | A | 95.7 | Very high | 93.4 | Very high | 18 Ų | 18 | 65 Ų | 65 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 150.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L209 C231 V232 D233 C258 V259 | L209-A235 HydrophobicContact CB-CB 4.34Å; C231-A235 HydrophobicContact CB-CB 4.17Å; V232-A235 HydrophobicContact CG2-CB 3.73Å; V232-A235 WeakPolarHBondContact O-CB 3.4Å; V232-A235 PolarHBondContact O-N 3.42Å; D233-A235 PolarHBondContact O-N 2.86Å; A235-C258 HydrophobicContact CB-CB 3.9Å; A235-V259 CarbonylContact C-O 3.48Å; A235-V259 VanDerWaalsContact CA-O 3.25Å; A235-V259 WeakPolarHBondContact CA-O 3.37Å |
| 236 | E | 94.1 | Very high | 93.4 | Very high | 100 Ų | 100 | 63.4 Ų | 63.4 | 47% | 0.467 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 143.8 | 178.8 | -68.1 | 170.1 | -140.2 | 0 | 0 | 110.3 | R238 C258 V259 S261 | E236-R238 PolarHBondContact O-N 2.96Å; E236-C258 CarbonylContact O-C 3.58Å; E236-C258 WeakPolarHBondContact O-CA 3.4Å; E236-C258 WeakPolarHBondContact O-CB 3.38Å; E236-V259 PolarHBondContact N-O 3.4Å; E236-V259 PolarHBondContact O-N 2.71Å; E236-S261 WeakPolarHBondContact OE1-CA 3.4Å; E236-S261 WeakPolarHBondContact OE1-CB 3.05Å |
| 237 | E | 93.6 | Very high | 93.2 | Very high | 86 Ų | 86 | 59 Ų | 59 | 40% | 0.402 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 112.7 | 177.4 | -172.4 | 175 | 130.8 | 0 | 0 | 109.5 | R228 T240 | R228-E237 IonicContact CZ-OE2 3.51Å; R228-E237 IonicContact NE-OE2 2.74Å; R228-E237 IonicContact NH2-OE1 3.63Å; R228-E237 PolarHBondContact NH2-OE1 3.43Å; R228-E237 IonicContact NH2-OE2 3.67Å; R228-E237 PolarHBondContact NH2-OE2 3.09Å; E237-T240 VanDerWaalsContact OE1-CA 3.23Å; E237-T240 WeakPolarHBondContact OE1-CA 3.45Å; E237-T240 VanDerWaalsContact OE1-CB 3.28Å; E237-T240 WeakPolarHBondContact OE1-CB 3.09Å; E237-T240 PolarHBondContact OE1-OG1 2.8Å |
| 238 | R | 90.5 | Very high | 92.9 | Very high | 141 Ų | 141 | 62.5 Ų | 62.5 | 53% | 0.532 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -48.8 | 173.2 | 177.9 | 178.9 | 176.4 | 178.4 | 0.2 | 111 | E236 R257 V259 D285 | E236-R238 PolarHBondContact O-N 2.96Å; R238-R257 PolarHBondContact N-O 2.76Å; R238-V259 HydrophobicContact CB-CG1 4.05Å; R238-V259 HydrophobicContact CB-CG2 4.23Å; R238-D285 IonicContact CZ-OD2 2.75Å; R238-D285 VanDerWaalsContact NH1-CG 3.31Å; R238-D285 IonicContact NH1-OD1 3.45Å; R238-D285 PolarHBondContact NH1-OD1 3.24Å; R238-D285 IonicContact NH1-OD2 3.22Å; R238-D285 PolarHBondContact NH1-OD2 3.38Å |
| 239 | D | 90.2 | Very high | 92.7 | Very high | 88 Ų | 88 | 55.4 Ų | 55.4 | 47% | 0.471 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 129.5 | 175.5 | -63.4 | -70 | 0 | 0 | 0 | 107.1 | P241 G256 R257 | D239-P241 VanDerWaalsContact O-CD 3.27Å; D239-P241 WeakPolarHBondContact O-CD 3.43Å; D239-G256 WeakPolarHBondContact O-CA 3.39Å; D239-R257 PolarHBondContact N-O 2.99Å; D239-R257 VanDerWaalsContact N-O 3.16Å; D239-R257 PolarHBondContact O-N 3.38Å; D239-R257 VanDerWaalsContact O-O 3.05Å |
| 240 | T | 91.8 | Very high | 92.5 | Very high | 58 Ų | 58 | 60 Ų | 60 | 36% | 0.356 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 112.4 | -171.7 | -54.5 | 0 | 0 | 0 | 0 | 112.6 | R228 E237 K242 | R228-T240 HydrophobicContact CG-CG2 4.21Å; E237-T240 VanDerWaalsContact OE1-CA 3.23Å; E237-T240 WeakPolarHBondContact OE1-CA 3.45Å; E237-T240 VanDerWaalsContact OE1-CB 3.28Å; E237-T240 WeakPolarHBondContact OE1-CB 3.09Å; E237-T240 PolarHBondContact OE1-OG1 2.8Å; T240-K242 HydrophobicContact CG2-CG 4.42Å; T240-K242 PolarHBondContact O-N 3.37Å |
| 241 | P | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 126.9 | -175.5 | 28.3 | -35.5 | 0 | 0 | 0 | 110.5 | A210 F212 R228 G229 D239 I255 | A210-P241 HydrophobicContact CB-CB 3.5Å; A210-P241 VanDerWaalsContact CB-CB 3.5Å; A210-P241 HydrophobicContact CB-CG 3.74Å; F212-P241 HydrophobicContact CZ-CB 4Å; R228-P241 WeakPolarHBondContact CA-O 3.45Å; G229-P241 PolarHBondContact N-O 2.04Å; G229-P241 WeakPolarHBondContact O-CG 3.44Å; D239-P241 VanDerWaalsContact O-CD 3.27Å; D239-P241 WeakPolarHBondContact O-CD 3.43Å; P241-I255 CarbonylContact C-O 3.58Å; P241-I255 VanDerWaalsContact CA-O 3.32Å; P241-I255 WeakPolarHBondContact CA-O 3.34Å |
| 242 | K | 92.9 | Very high | 91.8 | Very high | 64 Ų | 64 | 55 Ų | 55 | 28% | 0.278 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 142.4 | 179.7 | -66.3 | -173.8 | 174.7 | -156.6 | 0 | 111.1 | E226 V227 T240 P254 I255 | E226-K242 HydrophobicContact CG-CD 4.41Å; E226-K242 VanDerWaalsContact OE1-CE 3.3Å; E226-K242 WeakPolarHBondContact OE1-CE 3.5Å; E226-K242 IonicContact OE1-NZ 3.33Å; E226-K242 PolarHBondContact OE1-NZ 2.87Å; E226-K242 IonicContact OE2-NZ 2.79Å; V227-K242 WeakPolarHBondContact O-CA 3.38Å; T240-K242 HydrophobicContact CG2-CG 4.42Å; T240-K242 PolarHBondContact O-N 3.37Å; K242-P254 CarbonylContact O-C 3.57Å; K242-P254 WeakPolarHBondContact O-CA 3.31Å; K242-I255 PolarHBondContact N-O 2.8Å; K242-I255 PolarHBondContact O-N 3.07Å |
| 243 | M | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 160 | 170.6 | -73.7 | -178.5 | 81.4 | 0 | 0 | 109.7 | V205 R207 F212 V227 W251 L252 P254 | V205-M243 HydrophobicContact CG2-SD 4.32Å; R207-M243 HydrophobicContact CB-SD 4.43Å; F212-M243 HydrophobicContact CD1-CB 3.78Å; F212-M243 HydrophobicContact CD1-CG 3.86Å; F212-M243 HydrophobicContact CD1-SD 3.98Å; F212-M243 HydrophobicContact CD2-CG 4.29Å; F212-M243 HydrophobicContact CD2-SD 3.45Å; F212-M243 WeakPolarHBondContact CD2-SD 3.45Å; F212-M243 HydrophobicContact CE1-CB 3.74Å; F212-M243 HydrophobicContact CE1-CG 3.51Å; F212-M243 HydrophobicContact CE1-SD 3.99Å; F212-M243 HydrophobicContact CE2-CG 3.98Å; F212-M243 HydrophobicContact CE2-SD 3.46Å; F212-M243 WeakPolarHBondContact CE2-SD 3.4Å; F212-M243 HydrophobicContact CG-CB 4.39Å; F212-M243 HydrophobicContact CG-CG 4.23Å; F212-M243 HydrophobicContact CG-SD 3.72Å; F212-M243 HydrophobicContact CZ-CB 4.32Å; F212-M243 HydrophobicContact CZ-CG 3.57Å; F212-M243 HydrophobicContact CZ-SD 3.74Å; V227-M243 PolarHBondContact N-O 2.86Å; V227-M243 PolarHBondContact O-N 3.22Å; M243-W251 HydrophobicContact CB-CE3 3.63Å; M243-W251 HydrophobicContact CB-CZ3 3.73Å; M243-W251 HydrophobicContact CE-CB 3.66Å; M243-W251 HydrophobicContact CE-CD2 4.25Å; M243-W251 HydrophobicContact CE-CE3 4.35Å; M243-W251 HydrophobicContact CE-CG 4.01Å; M243-L252 WeakPolarHBondContact CE-O 3.15Å; M243-P254 HydrophobicContact CE-CB 4.4Å; M243-P254 HydrophobicContact CG-CB 3.81Å; M243-P254 HydrophobicContact SD-CB 4.01Å |
| 244 | Y | 92 | Very high | 90.5 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.9 | 176.5 | -60.5 | -90.9 | 0 | 0 | 0 | 109.5 | L224 V225 E226 L252 I255 | L224-Y244 HydrophobicContact CB-CD1 4.36Å; V225-Y244 CarbonylContact O-C 3.59Å; V225-Y244 WeakPolarHBondContact O-CA 3.4Å; E226-Y244 HydrophobicContact CB-CD1 3.88Å; E226-Y244 HydrophobicContact CB-CE1 3.58Å; E226-Y244 HydrophobicContact CG-CD1 4.27Å; E226-Y244 HydrophobicContact CG-CE1 3.68Å; E226-Y244 PolarHBondContact OE2-OH 3.27Å; Y244-L252 WeakPolarHBondContact O-CB 3.33Å; Y244-L252 WeakPolarHBondContact O-CG 3.33Å; Y244-L252 PolarHBondContact O-N 2.88Å; Y244-I255 HydrophobicContact CE2-CD1 3.93Å |
| 245 | C | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 125.1 | 172.1 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | C202 V215 L224 V225 W251 | C202-C245 HydrophobicContact CB-CB 3.81Å; C202-C245 WeakPolarHBondContact CB-SG 3.16Å; C202-C245 PolarHBondContact N-SG 2.99Å; C202-C245 WeakPolarHBondContact SG-CA 3.42Å; C202-C245 WeakPolarHBondContact SG-CB 3.43Å; C202-C245 CovalentContact SG-SG 2.02Å; C202-C245 PolarHBondContact SG-SG 2.81Å; V215-C245 HydrophobicContact CG1-CB 3.45Å; V215-C245 VanDerWaalsContact CG1-CB 3.45Å; L224-C245 WeakPolarHBondContact CA-O 3.33Å; V225-C245 HydrophobicContact CB-CB 4.33Å; V225-C245 PolarHBondContact N-O 3.21Å; V225-C245 PolarHBondContact O-N 3.45Å; C245-W251 HydrophobicContact CB-CE3 4.21Å; C245-W251 HydrophobicContact CB-CZ3 4.02Å |
| 246 | S | 90.6 | Very high | 89.7 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 5% | 0.049 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 166.8 | 178.4 | 87 | 0 | 0 | 0 | 0 | 112.8 | T217 E248 G249 E250 | T217-S246 WeakPolarHBondContact CG2-O 3.26Å; S246-E248 VanDerWaalsContact CB-OE2 3.26Å; S246-E248 WeakPolarHBondContact CB-OE2 3.4Å; S246-E248 PolarHBondContact O-N 3.49Å; S246-E248 VanDerWaalsContact O-N 3.14Å; S246-E248 PolarHBondContact OG-N 3.46Å; S246-E248 PolarHBondContact OG-OE2 3.31Å; S246-G249 PolarHBondContact O-N 3.28Å; S246-E250 PolarHBondContact N-O 2.8Å |
| 247 | A | 87.9 | Confident | 89.6 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -27 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y96 D220 S223 G249 | Y96-A247 PolarHBondContact OH-O 3.46Å; D220-A247 WeakPolarHBondContact O-CB 3.19Å; S223-A247 PolarHBondContact O-N 2.96Å; A247-G249 VanDerWaalsContact C-N 3.3Å; A247-G249 PolarHBondContact O-N 2.99Å |
| 248 | E | 88.4 | Confident | 89.7 | Confident | 91 Ų | 91 | 44 Ų | 44 | 43% | 0.425 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -4.7 | 179.9 | -59.2 | 66.4 | -140.5 | 0 | 0 | 113.8 | K200 S246 E250 | K200-E248 WeakPolarHBondContact CD-O 3.01Å; S246-E248 VanDerWaalsContact CB-OE2 3.26Å; S246-E248 WeakPolarHBondContact CB-OE2 3.4Å; S246-E248 PolarHBondContact O-N 3.49Å; S246-E248 VanDerWaalsContact O-N 3.14Å; S246-E248 PolarHBondContact OG-N 3.46Å; S246-E248 PolarHBondContact OG-OE2 3.31Å; E248-E250 HydrophobicContact CB-CG 4.39Å |
| 249 | G | 89.1 | Confident | 89.9 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 83.6 | 16.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | C202 S246 A247 | C202-G249 WeakPolarHBondContact CA-O 3.49Å; C202-G249 PolarHBondContact SG-O 2.8Å; C202-G249 VanDerWaalsContact SG-O 3.33Å; S246-G249 PolarHBondContact O-N 3.28Å; A247-G249 VanDerWaalsContact C-N 3.3Å; A247-G249 PolarHBondContact O-N 2.99Å |
| 250 | E | 90.4 | Very high | 90.2 | Very high | 101 Ų | 101 | 33.6 Ų | 33.6 | 47% | 0.472 | 17% | 0.171 | S | C | . | . | trans | -101.4 | 136.7 | -178.5 | -65.7 | -57.1 | 135.6 | 0 | 0 | 112.7 | N28 C202 S246 E248 | N28-E250 PolarHBondContact ND2-OE1 2.76Å; N28-E250 VanDerWaalsContact ND2-OE1 3.08Å; C202-E250 PolarHBondContact SG-O 2.85Å; S246-E250 PolarHBondContact N-O 2.8Å; E248-E250 HydrophobicContact CB-CG 4.39Å | ||
| 251 | W | 90.5 | Very high | 90.5 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -78 | 124.1 | 173.8 | -82.7 | 123.8 | 0 | 0 | 0 | 111.5 | C202 V203 V205 F212 V215 V227 M243 C245 | C202-W251 HydrophobicContact CB-CD2 3.73Å; C202-W251 VanDerWaalsContact CB-CE2 3.44Å; C202-W251 HydrophobicContact CB-CE3 4.3Å; C202-W251 HydrophobicContact CB-CG 4.05Å; C202-W251 HydrophobicContact CB-CH2 4.39Å; C202-W251 HydrophobicContact CB-CZ2 3.81Å; V203-W251 PolarHBondContact O-NE1 3.45Å; V205-W251 HydrophobicContact CG2-CG 4.26Å; F212-W251 HydrophobicContact CB-CH2 4.15Å; F212-W251 HydrophobicContact CB-CZ2 3.98Å; V215-W251 HydrophobicContact CG1-CH2 3.65Å; V215-W251 HydrophobicContact CG1-CZ2 4.07Å; V215-W251 HydrophobicContact CG1-CZ3 4.27Å; V227-W251 HydrophobicContact CB-CH2 3.78Å; V227-W251 HydrophobicContact CB-CZ3 3.98Å; V227-W251 HydrophobicContact CG1-CH2 4.09Å; V227-W251 HydrophobicContact CG2-CH2 3.74Å; V227-W251 HydrophobicContact CG2-CZ3 4.04Å; M243-W251 HydrophobicContact CB-CE3 3.63Å; M243-W251 HydrophobicContact CB-CZ3 3.73Å; M243-W251 HydrophobicContact CE-CB 3.66Å; M243-W251 HydrophobicContact CE-CD2 4.25Å; M243-W251 HydrophobicContact CE-CE3 4.35Å; M243-W251 HydrophobicContact CE-CG 4.01Å; C245-W251 HydrophobicContact CB-CE3 4.21Å; C245-W251 HydrophobicContact CB-CZ3 4.02Å |
| 252 | L | 86 | Confident | 90.6 | Very high | 45 Ų | 45 | 33.1 Ų | 33.1 | 24% | 0.236 | 17% | 0.172 | C | C | . | . | trans | -87 | -162.6 | 175.5 | -54.1 | -174.2 | 0 | 0 | 0 | 111.7 | L224 M243 Y244 | L224-L252 HydrophobicContact CD1-CD1 4.19Å; L224-L252 HydrophobicContact CD2-CD1 3.48Å; L224-L252 VanDerWaalsContact CD2-CD1 3.48Å; L224-L252 HydrophobicContact CG-CD1 4.48Å; M243-L252 WeakPolarHBondContact CE-O 3.15Å; Y244-L252 WeakPolarHBondContact O-CB 3.33Å; Y244-L252 WeakPolarHBondContact O-CG 3.33Å; Y244-L252 PolarHBondContact O-N 2.88Å | ||
| 253 | V | 80 | Confident | 90.7 | Very high | 51 Ų | 51 | 30 Ų | 30 | 31% | 0.309 | 16% | 0.158 | S | C | . | . | P | Polyproline II helix | trans | -63.2 | 132.6 | -170 | 165 | 0 | 0 | 0 | 0 | 112.1 | I255 R872 | V253-I255 HydrophobicContact CG1-CG1 4.24Å; V253-I255 PolarHBondContact O-N 2.75Å; V253-R872 HydrophobicContact CG2-CG 3.44Å; V253-R872 VanDerWaalsContact CG2-CG 3.44Å |
| 254 | P | 82.8 | Confident | 90.9 | Very high | 27 Ų | 27 | 31.5 Ų | 31.5 | 18% | 0.175 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -71 | 116.5 | 162 | 31.2 | -32.1 | 0 | 0 | 0 | 109.6 | K242 M243 | K242-P254 CarbonylContact O-C 3.57Å; K242-P254 WeakPolarHBondContact O-CA 3.31Å; M243-P254 HydrophobicContact CE-CB 4.4Å; M243-P254 HydrophobicContact CG-CB 3.81Å; M243-P254 HydrophobicContact SD-CB 4.01Å |
| 255 | I | 85.9 | Confident | 91.1 | Very high | 76 Ų | 76 | 31.4 Ų | 31.4 | 39% | 0.39 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 136.7 | 169.2 | -56.1 | -178 | 0 | 0 | 0 | 107 | P241 K242 Y244 V253 | P241-I255 CarbonylContact C-O 3.58Å; P241-I255 VanDerWaalsContact CA-O 3.32Å; P241-I255 WeakPolarHBondContact CA-O 3.34Å; K242-I255 PolarHBondContact N-O 2.8Å; K242-I255 PolarHBondContact O-N 3.07Å; Y244-I255 HydrophobicContact CE2-CD1 3.93Å; V253-I255 HydrophobicContact CG1-CG1 4.24Å; V253-I255 PolarHBondContact O-N 2.75Å |
| 256 | G | 87.8 | Confident | 91.1 | Very high | 20 Ų | 20 | 35.3 Ų | 35.3 | 21% | 0.206 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 74.3 | 175.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N208 D239 | N208-G256 PolarHBondContact ND2-O 3.17Å; D239-G256 WeakPolarHBondContact O-CA 3.39Å |
| 257 | R | 92.4 | Very high | 91.2 | Very high | 56 Ų | 56 | 39.6 Ų | 39.6 | 21% | 0.211 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 155.9 | 179.6 | 70.3 | 170.3 | -61.5 | 163.4 | 12.9 | 111.7 | N208 R238 D239 E266 D285 | N208-R257 HydrophobicContact CB-CB 3.77Å; R238-R257 PolarHBondContact N-O 2.76Å; D239-R257 PolarHBondContact N-O 2.99Å; D239-R257 VanDerWaalsContact N-O 3.16Å; D239-R257 PolarHBondContact O-N 3.38Å; D239-R257 VanDerWaalsContact O-O 3.05Å; R257-E266 IonicContact CZ-OE2 3.87Å; R257-E266 IonicContact NH2-OE1 3.45Å; R257-E266 IonicContact NH2-OE2 2.73Å; R257-E266 PolarHBondContact NH2-OE2 2.79Å; R257-D285 IonicContact CZ-OD1 3.5Å; R257-D285 IonicContact NE-OD1 3.13Å; R257-D285 PolarHBondContact NE-OD1 2.91Å; R257-D285 IonicContact NH1-OD1 2.68Å; R257-D285 PolarHBondContact NH1-OD1 3.27Å; R257-D285 IonicContact NH2-OD1 3.31Å |
| 258 | C | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 164.9 | 158.6 | -49.5 | 0 | 0 | 0 | 0 | 109.8 | N208 L209 C231 A235 E236 | N208-C258 PolarHBondContact O-N 2.93Å; L209-C258 HydrophobicContact CB-CB 3.92Å; L209-C258 WeakPolarHBondContact O-CB 3.1Å; C231-C258 WeakPolarHBondContact CA-SG 3.44Å; C231-C258 HydrophobicContact CB-CB 3.72Å; C231-C258 WeakPolarHBondContact CB-SG 3.25Å; C231-C258 WeakPolarHBondContact SG-CB 3.44Å; C231-C258 CovalentContact SG-SG 2.03Å; C231-C258 PolarHBondContact SG-SG 3.31Å; A235-C258 HydrophobicContact CB-CB 3.9Å; E236-C258 CarbonylContact O-C 3.58Å; E236-C258 WeakPolarHBondContact O-CA 3.4Å; E236-C258 WeakPolarHBondContact O-CB 3.38Å |
| 259 | V | 95.9 | Very high | 91 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 143.5 | 175 | -64.8 | 0 | 0 | 0 | 0 | 109.5 | A235 E236 R238 S261 A283 D285 | A235-V259 CarbonylContact C-O 3.48Å; A235-V259 VanDerWaalsContact CA-O 3.25Å; A235-V259 WeakPolarHBondContact CA-O 3.37Å; E236-V259 PolarHBondContact N-O 3.4Å; E236-V259 PolarHBondContact O-N 2.71Å; R238-V259 HydrophobicContact CB-CG1 4.05Å; R238-V259 HydrophobicContact CB-CG2 4.23Å; V259-S261 PolarHBondContact O-N 3.36Å; V259-A283 HydrophobicContact CG2-CB 4.24Å; V259-D285 VanDerWaalsContact CG1-OD1 3.25Å; V259-D285 WeakPolarHBondContact CG1-OD1 3.31Å |
| 260 | C | 96.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 137.3 | 177 | -60.6 | 0 | 0 | 0 | 0 | 110.9 | L209 F264 E265 C271 K280 A283 G284 | L209-C260 VanDerWaalsContact CD1-SG 3.5Å; C260-F264 HydrophobicContact CB-CB 4.02Å; C260-F264 WeakPolarHBondContact CB-O 3.15Å; C260-E265 VanDerWaalsContact SG-C 3.52Å; C260-C271 WeakPolarHBondContact CA-SG 3.24Å; C260-C271 HydrophobicContact CB-CB 3.78Å; C260-C271 WeakPolarHBondContact CB-SG 3.22Å; C260-C271 WeakPolarHBondContact SG-CA 3.46Å; C260-C271 WeakPolarHBondContact SG-CB 3.41Å; C260-C271 CovalentContact SG-SG 2.04Å; C260-C271 PolarHBondContact SG-SG 3.47Å; C260-K280 PolarHBondContact O-NZ 3.09Å; C260-A283 VanDerWaalsContact O-CA 3.29Å; C260-A283 WeakPolarHBondContact O-CA 3.42Å; C260-G284 PolarHBondContact O-N 3.23Å |
| 261 | S | 97 | Very high | 91.4 | Very high | 16 Ų | 16 | 46.9 Ų | 46.9 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 172.8 | -177.6 | 62.5 | 0 | 0 | 0 | 0 | 112.5 | H234 E236 V259 G263 F264 | H234-S261 WeakPolarHBondContact O-CB 3.45Å; H234-S261 PolarHBondContact O-N 3.05Å; H234-S261 PolarHBondContact O-OG 2.83Å; E236-S261 WeakPolarHBondContact OE1-CA 3.4Å; E236-S261 WeakPolarHBondContact OE1-CB 3.05Å; V259-S261 PolarHBondContact O-N 3.36Å; S261-G263 PolarHBondContact O-N 2.81Å; S261-F264 PolarHBondContact O-N 2.84Å; S261-F264 WeakPolarHBondContact OG-CD2 3.25Å |
| 262 | A | 95.6 | Very high | 91.7 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 26% | 0.264 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 134.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | K280 V303 | A262-K280 CarbonylContact C-O 3.59Å; A262-V303 HydrophobicContact CB-CB 4.48Å; A262-V303 HydrophobicContact CB-CG1 3.69Å |
| 263 | G | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -1.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | S261 C274 K280 A301 | S261-G263 PolarHBondContact O-N 2.81Å; G263-C274 VanDerWaalsContact C-SG 3.53Å; G263-C274 PolarHBondContact O-N 3.2Å; G263-C274 PolarHBondContact O-SG 3.08Å; G263-K280 PolarHBondContact N-O 3.1Å; G263-A301 VanDerWaalsContact O-CA 3.26Å; G263-A301 WeakPolarHBondContact O-CA 3.06Å |
| 264 | F | 96.9 | Very high | 93 | Very high | 31 Ų | 31 | 44.5 Ų | 44.5 | 14% | 0.136 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138 | -178.9 | -66.7 | -102.1 | 0 | 0 | 0 | 113.2 | H234 C260 S261 C271 V272 A273 K280 A301 | H234-F264 HydrophobicContact CB-CB 4.41Å; H234-F264 HydrophobicContact CB-CD1 3.55Å; H234-F264 HydrophobicContact CB-CD2 3.97Å; H234-F264 HydrophobicContact CB-CE1 3.7Å; H234-F264 HydrophobicContact CB-CE2 4.1Å; H234-F264 HydrophobicContact CB-CG 3.72Å; H234-F264 HydrophobicContact CB-CZ 3.98Å; H234-F264 AromaticContact CD2-CE1 3.54Å; H234-F264 AromaticContact CD2-CZ 3.97Å; H234-F264 AromaticContact CE1-CZ 3.82Å; H234-F264 AromaticContact CG-CD1 3.81Å; H234-F264 AromaticContact CG-CE1 3.38Å; H234-F264 AromaticContact CG-CZ 3.52Å; H234-F264 AromaticContact ND1-CE1 3.8Å; H234-F264 AromaticContact ND1-CE2 3.86Å; H234-F264 AromaticContact ND1-CZ 3.42Å; H234-F264 WeakPolarHBondContact ND1-CZ 3.45Å; C260-F264 HydrophobicContact CB-CB 4.02Å; C260-F264 WeakPolarHBondContact CB-O 3.15Å; S261-F264 PolarHBondContact O-N 2.84Å; S261-F264 WeakPolarHBondContact OG-CD2 3.25Å; F264-C271 HydrophobicContact CB-CB 4.16Å; F264-V272 CarbonylContact C-O 3.54Å; F264-V272 VanDerWaalsContact CA-O 3.23Å; F264-V272 WeakPolarHBondContact CA-O 3.03Å; F264-A273 HydrophobicContact CD1-CB 4.18Å; F264-A273 HydrophobicContact CE1-CB 3.86Å; F264-A273 HydrophobicContact CZ-CB 4.38Å; F264-K280 WeakPolarHBondContact O-CD 3.45Å; F264-K280 WeakPolarHBondContact O-CE 3.32Å; F264-K280 PolarHBondContact O-NZ 2.88Å; F264-A301 HydrophobicContact CD2-CB 4.43Å; F264-A301 HydrophobicContact CE2-CB 3.85Å; F264-A301 HydrophobicContact CZ-CB 3.99Å |
| 265 | E | 95 | Very high | 93.6 | Very high | 55 Ų | 55 | 47.6 Ų | 47.6 | 26% | 0.257 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 156.3 | 175.1 | 63.3 | 179.3 | -173.8 | 0 | 0 | 113.2 | C260 H267 C271 V272 P287 C288 | C260-E265 VanDerWaalsContact SG-C 3.52Å; E265-H267 PolarHBondContact O-N 2.84Å; E265-C271 CarbonylContact O-C 3.38Å; E265-C271 WeakPolarHBondContact O-CA 3.36Å; E265-V272 HydrophobicContact CG-CG2 3.76Å; E265-V272 PolarHBondContact N-O 3.32Å; E265-V272 PolarHBondContact O-N 2.98Å; E265-P287 WeakPolarHBondContact OE2-CB 3.42Å; E265-C288 HydrophobicContact CG-CB 4.49Å; E265-C288 WeakPolarHBondContact OE2-CB 3.4Å; E265-C288 PolarHBondContact OE2-N 2.88Å |
| 266 | E | 94 | Very high | 94.1 | Very high | 82 Ų | 82 | 47.9 Ų | 47.9 | 38% | 0.383 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 115.5 | 179.7 | 177.7 | 164.2 | -168.4 | 0 | 0 | 109.9 | L209 R257 | L209-E266 HydrophobicContact CD1-CB 4.26Å; L209-E266 HydrophobicContact CD1-CG 4.13Å; L209-E266 HydrophobicContact CD2-CG 4.11Å; L209-E266 HydrophobicContact CG-CG 4.3Å; R257-E266 IonicContact CZ-OE2 3.87Å; R257-E266 IonicContact NH2-OE1 3.45Å; R257-E266 IonicContact NH2-OE2 2.73Å; R257-E266 PolarHBondContact NH2-OE2 2.79Å |
| 267 | H | 90.9 | Very high | 94.4 | Very high | 97 Ų | 97 | 48 Ų | 48 | 45% | 0.449 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 102.8 | 172.5 | -170.2 | 89 | 0 | 0 | 0 | 109.9 | E265 D269 S270 V272 | E265-H267 PolarHBondContact O-N 2.84Å; H267-D269 PolarHBondContact O-N 3.32Å; H267-S270 PolarHBondContact N-O 3.1Å; H267-S270 PolarHBondContact O-N 3.42Å; H267-S270 PolarHBondContact O-OG 2.94Å; H267-V272 HydrophobicContact CB-CB 4.46Å; H267-V272 HydrophobicContact CB-CG1 3.91Å; H267-V272 HydrophobicContact CB-CG2 3.67Å |
| 268 | R | 86.4 | Confident | 94.6 | Very high | 206 Ų | 206 | 49.3 Ų | 49.3 | 78% | 0.777 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | -120.1 | -169.6 | -49.3 | 175.3 | -172.1 | -160.3 | -2 | 109.4 | ||
| 269 | D | 86.6 | Confident | 94.6 | Very high | 76 Ų | 76 | 50.1 Ų | 50.1 | 41% | 0.406 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 28.3 | -178.9 | -55.9 | -77.6 | 0 | 0 | 0 | 112.7 | N206 H267 | N206-D269 HydrophobicContact CB-CB 3.73Å; H267-D269 PolarHBondContact O-N 3.32Å |
| 270 | S | 93 | Very high | 94.6 | Very high | 55 Ų | 55 | 50.2 Ų | 50.2 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 160.4 | 177.3 | 65 | 0 | 0 | 0 | 0 | 112.6 | H267 | H267-S270 PolarHBondContact N-O 3.1Å; H267-S270 PolarHBondContact O-N 3.42Å; H267-S270 PolarHBondContact O-OG 2.94Å |
| 271 | C | 95.9 | Very high | 94.4 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 9% | 0.088 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.2 | 174.7 | -66.6 | 0 | 0 | 0 | 0 | 110.7 | H234 C260 F264 E265 | H234-C271 HydrophobicContact CB-CB 4.17Å; C260-C271 WeakPolarHBondContact CA-SG 3.24Å; C260-C271 HydrophobicContact CB-CB 3.78Å; C260-C271 WeakPolarHBondContact CB-SG 3.22Å; C260-C271 WeakPolarHBondContact SG-CA 3.46Å; C260-C271 WeakPolarHBondContact SG-CB 3.41Å; C260-C271 CovalentContact SG-SG 2.04Å; C260-C271 PolarHBondContact SG-SG 3.47Å; F264-C271 HydrophobicContact CB-CB 4.16Å; E265-C271 CarbonylContact O-C 3.38Å; E265-C271 WeakPolarHBondContact O-CA 3.36Å |
| 272 | V | 95.8 | Very high | 94.2 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 31% | 0.309 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142.4 | 180 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | F264 E265 H267 | F264-V272 CarbonylContact C-O 3.54Å; F264-V272 VanDerWaalsContact CA-O 3.23Å; F264-V272 WeakPolarHBondContact CA-O 3.03Å; E265-V272 HydrophobicContact CG-CG2 3.76Å; E265-V272 PolarHBondContact N-O 3.32Å; E265-V272 PolarHBondContact O-N 2.98Å; H267-V272 HydrophobicContact CB-CB 4.46Å; H267-V272 HydrophobicContact CB-CG1 3.91Å; H267-V272 HydrophobicContact CB-CG2 3.67Å |
| 273 | A | 96.7 | Very high | 94.2 | Very high | 32 Ų | 32 | 57 Ų | 57 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 138.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F264 E275 R300 A301 | F264-A273 HydrophobicContact CD1-CB 4.18Å; F264-A273 HydrophobicContact CE1-CB 3.86Å; F264-A273 HydrophobicContact CZ-CB 4.38Å; A273-E275 PolarHBondContact O-N 3.14Å; A273-R300 HydrophobicContact CB-CB 4.37Å; A273-A301 HydrophobicContact CB-CB 3.84Å |
| 274 | C | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 135.1 | 169.9 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | G263 F278 C288 R300 A301 | G263-C274 VanDerWaalsContact C-SG 3.53Å; G263-C274 PolarHBondContact O-N 3.2Å; G263-C274 PolarHBondContact O-SG 3.08Å; C274-F278 HydrophobicContact CB-CB 4.35Å; C274-C288 WeakPolarHBondContact CA-SG 3.36Å; C274-C288 HydrophobicContact CB-CB 3.73Å; C274-C288 WeakPolarHBondContact CB-SG 3.34Å; C274-C288 WeakPolarHBondContact SG-CB 3.39Å; C274-C288 CovalentContact SG-SG 2.03Å; C274-C288 PolarHBondContact SG-SG 3.39Å; C274-R300 CarbonylContact O-C 3.54Å; C274-R300 WeakPolarHBondContact O-CA 3.24Å; C274-R300 WeakPolarHBondContact O-CB 3.48Å; C274-A301 PolarHBondContact O-N 3.29Å |
| 275 | E | 96.4 | Very high | 93.4 | Very high | 92 Ų | 92 | 60.1 Ų | 60.1 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 162.7 | 175.4 | -73 | -67.1 | 180 | 0 | 0 | 112.6 | A273 G277 F278 R300 | A273-E275 PolarHBondContact O-N 3.14Å; E275-G277 PolarHBondContact O-N 3.33Å; E275-F278 HydrophobicContact CB-CD2 4.47Å; E275-F278 WeakPolarHBondContact O-CA 3.24Å; E275-F278 WeakPolarHBondContact O-CB 3.41Å; E275-F278 PolarHBondContact O-N 3.41Å; E275-R300 IonicContact OE1-CZ 3.53Å; E275-R300 IonicContact OE1-NE 2.67Å; E275-R300 IonicContact OE1-NH2 3.89Å; E275-R300 PolarHBondContact OE1-NH2 2.91Å; E275-R300 IonicContact OE2-CZ 2.76Å; E275-R300 VanDerWaalsContact OE2-CZ 3.25Å; E275-R300 IonicContact OE2-NE 3.74Å; E275-R300 PolarHBondContact OE2-NE 3.08Å; E275-R300 IonicContact OE2-NH2 3.18Å; E275-R300 PolarHBondContact OE2-NH2 3.17Å |
| 276 | V | 95.3 | Very high | 93 | Very high | 82 Ų | 82 | 59.3 Ų | 59.3 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 134.4 | 178.6 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | F278 S297 R300 | V276-F278 VanDerWaalsContact C-N 3.29Å; V276-S297 VanDerWaalsContact CG1-O 3.28Å; V276-S297 WeakPolarHBondContact CG1-O 3.45Å; V276-R300 HydrophobicContact CG2-CG 4.1Å |
| 277 | G | 93.7 | Very high | 93 | Very high | 23 Ų | 23 | 60.2 Ų | 60.2 | 24% | 0.237 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115 | E275 C291 S297 | E275-G277 PolarHBondContact O-N 3.33Å; G277-C291 PolarHBondContact O-N 3.09Å; G277-C291 PolarHBondContact O-SG 2.93Å; G277-S297 VanDerWaalsContact CA-OG 3.29Å; G277-S297 WeakPolarHBondContact CA-OG 3.4Å; G277-S297 PolarHBondContact N-O 2.79Å; G277-S297 VanDerWaalsContact N-O 3.13Å; G277-S297 PolarHBondContact N-OG 3.31Å |
| 278 | F | 96.3 | Very high | 93.2 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 162.8 | 170 | -66.2 | -108 | 0 | 0 | 0 | 110.6 | C274 E275 V276 C288 G289 K290 S297 | C274-F278 HydrophobicContact CB-CB 4.35Å; E275-F278 HydrophobicContact CB-CD2 4.47Å; E275-F278 WeakPolarHBondContact O-CA 3.24Å; E275-F278 WeakPolarHBondContact O-CB 3.41Å; E275-F278 PolarHBondContact O-N 3.41Å; V276-F278 VanDerWaalsContact C-N 3.29Å; F278-C288 HydrophobicContact CB-CB 4.1Å; F278-G289 CarbonylContact C-O 3.48Å; F278-G289 WeakPolarHBondContact CA-O 3.28Å; F278-G289 WeakPolarHBondContact CB-O 3.43Å; F278-K290 HydrophobicContact CD1-CB 4.07Å; F278-K290 HydrophobicContact CE1-CB 3.83Å; F278-K290 HydrophobicContact CE1-CG 4.48Å; F278-K290 HydrophobicContact CZ-CB 4.27Å; F278-K290 HydrophobicContact CZ-CG 4.46Å; F278-S297 PolarHBondContact N-OG 2.69Å; F278-S297 PolarHBondContact O-OG 3.43Å |
| 279 | Y | 95.7 | Very high | 93.6 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 162 | 179.2 | 80.2 | -64.9 | 0 | 0 | 0 | 112.1 | P281 G289 P292 A302 C305 P319 A320 | Y279-P281 HydrophobicContact CD2-CG 4.48Å; Y279-P281 HydrophobicContact CE2-CB 4.34Å; Y279-P281 HydrophobicContact CE2-CG 4Å; Y279-G289 VanDerWaalsContact CD1-O 3.27Å; Y279-G289 WeakPolarHBondContact CD1-O 3.27Å; Y279-G289 PolarHBondContact N-O 3.11Å; Y279-G289 PolarHBondContact O-N 3.49Å; Y279-P292 HydrophobicContact CE1-CG 4.48Å; Y279-A302 CarbonylContact C-O 3.54Å; Y279-A302 WeakPolarHBondContact CA-O 3.33Å; Y279-A302 WeakPolarHBondContact CB-O 3.28Å; Y279-C305 WeakPolarHBondContact CD1-SG 3.44Å; Y279-P319 HydrophobicContact CE2-CB 4.05Å; Y279-P319 PolarHBondContact OH-O 3.07Å; Y279-A320 VanDerWaalsContact OH-CA 3.23Å; Y279-A320 WeakPolarHBondContact OH-CA 3.44Å; Y279-A320 PolarHBondContact OH-N 3.03Å |
| 280 | K | 95.8 | Very high | 94 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | trans | -145.9 | 111.5 | 170 | -179.9 | 179.5 | 175 | 170.2 | 0 | 110.8 | C260 A262 G263 F264 V282 G284 G286 A302 V303 | C260-K280 PolarHBondContact O-NZ 3.09Å; A262-K280 CarbonylContact C-O 3.59Å; G263-K280 PolarHBondContact N-O 3.1Å; F264-K280 WeakPolarHBondContact O-CD 3.45Å; F264-K280 WeakPolarHBondContact O-CE 3.32Å; F264-K280 PolarHBondContact O-NZ 2.88Å; K280-V282 WeakPolarHBondContact CE-O 3.24Å; K280-V282 WeakPolarHBondContact CG-O 3.21Å; K280-G284 PolarHBondContact NZ-O 2.89Å; K280-G286 VanDerWaalsContact CE-O 3.31Å; K280-G286 WeakPolarHBondContact CE-O 3.31Å; K280-G286 PolarHBondContact NZ-O 3.32Å; K280-A302 PolarHBondContact N-O 2.76Å; K280-V303 WeakPolarHBondContact O-CA 3.42Å | ||
| 281 | P | 93 | Very high | 94.2 | Very high | 53 Ų | 53 | 50.1 Ų | 50.1 | 34% | 0.344 | 31% | 0.307 | S | S | . | . | trans | -80.3 | -18.9 | -167.7 | 31.2 | -35.4 | 0 | 0 | 0 | 115.3 | Y279 V303 P319 | Y279-P281 HydrophobicContact CD2-CG 4.48Å; Y279-P281 HydrophobicContact CE2-CB 4.34Å; Y279-P281 HydrophobicContact CE2-CG 4Å; P281-V303 WeakPolarHBondContact CA-O 3.49Å; P281-V303 WeakPolarHBondContact CB-O 3.47Å; P281-P319 HydrophobicContact CB-CB 4.23Å; P281-P319 HydrophobicContact CB-CG 4.26Å; P281-P319 HydrophobicContact CG-CB 4.18Å; P281-P319 HydrophobicContact CG-CG 4.38Å | ||
| 282 | V | 93.7 | Very high | 94.1 | Very high | 102 Ų | 102 | 50.3 Ų | 50.3 | 62% | 0.618 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -141.1 | 152.1 | -175.8 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | K280 | K280-V282 WeakPolarHBondContact CE-O 3.24Å; K280-V282 WeakPolarHBondContact CG-O 3.21Å |
| 283 | A | 94.2 | Very high | 94.1 | Very high | 37 Ų | 37 | 55 Ų | 55 | 31% | 0.306 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -62.6 | 144.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V259 C260 | V259-A283 HydrophobicContact CG2-CB 4.24Å; C260-A283 VanDerWaalsContact O-CA 3.29Å; C260-A283 WeakPolarHBondContact O-CA 3.42Å |
| 284 | G | 91.1 | Very high | 94 | Very high | 18 Ų | 18 | 56.8 Ų | 56.8 | 19% | 0.186 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 154.5 | -175.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | C260 K280 G286 | C260-G284 PolarHBondContact O-N 3.23Å; K280-G284 PolarHBondContact NZ-O 2.89Å; G284-G286 VanDerWaalsContact C-N 3.27Å; G284-G286 PolarHBondContact O-N 3.2Å |
| 285 | D | 85.3 | Confident | 94 | Very high | 78 Ų | 78 | 57.4 Ų | 57.4 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -78.3 | -7.3 | -174.1 | -46.6 | -41.7 | 0 | 0 | 0 | 113.8 | R238 R257 V259 | R238-D285 IonicContact CZ-OD2 2.75Å; R238-D285 VanDerWaalsContact NH1-CG 3.31Å; R238-D285 IonicContact NH1-OD1 3.45Å; R238-D285 PolarHBondContact NH1-OD1 3.24Å; R238-D285 IonicContact NH1-OD2 3.22Å; R238-D285 PolarHBondContact NH1-OD2 3.38Å; R257-D285 IonicContact CZ-OD1 3.5Å; R257-D285 IonicContact NE-OD1 3.13Å; R257-D285 PolarHBondContact NE-OD1 2.91Å; R257-D285 IonicContact NH1-OD1 2.68Å; R257-D285 PolarHBondContact NH1-OD1 3.27Å; R257-D285 IonicContact NH2-OD1 3.31Å; V259-D285 VanDerWaalsContact CG1-OD1 3.25Å; V259-D285 WeakPolarHBondContact CG1-OD1 3.31Å |
| 286 | G | 87.3 | Confident | 93.9 | Very high | 39 Ų | 39 | 56.8 Ų | 56.8 | 40% | 0.402 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 142.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | K280 G284 | K280-G286 VanDerWaalsContact CE-O 3.31Å; K280-G286 WeakPolarHBondContact CE-O 3.31Å; K280-G286 PolarHBondContact NZ-O 3.32Å; G284-G286 VanDerWaalsContact C-N 3.27Å; G284-G286 PolarHBondContact O-N 3.2Å |
| 287 | P | 93.7 | Very high | 93.9 | Very high | 101 Ų | 101 | 53.1 Ų | 53.1 | 66% | 0.656 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 169.1 | 169.2 | 32.6 | -35.9 | 0 | 0 | 0 | 111.1 | E265 G289 | E265-P287 WeakPolarHBondContact OE2-CB 3.42Å; P287-G289 PolarHBondContact O-N 3.17Å |
| 288 | C | 95.4 | Very high | 93.7 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 8% | 0.081 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 125.5 | 173.1 | -65.1 | 0 | 0 | 0 | 0 | 110.5 | E265 C274 F278 | E265-C288 HydrophobicContact CG-CB 4.49Å; E265-C288 WeakPolarHBondContact OE2-CB 3.4Å; E265-C288 PolarHBondContact OE2-N 2.88Å; C274-C288 WeakPolarHBondContact CA-SG 3.36Å; C274-C288 HydrophobicContact CB-CB 3.73Å; C274-C288 WeakPolarHBondContact CB-SG 3.34Å; C274-C288 WeakPolarHBondContact SG-CB 3.39Å; C274-C288 CovalentContact SG-SG 2.03Å; C274-C288 PolarHBondContact SG-SG 3.39Å; F278-C288 HydrophobicContact CB-CB 4.1Å |
| 289 | G | 94.3 | Very high | 93.6 | Very high | 31 Ų | 31 | 60 Ų | 60 | 32% | 0.32 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 143.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F278 Y279 P287 | F278-G289 CarbonylContact C-O 3.48Å; F278-G289 WeakPolarHBondContact CA-O 3.28Å; F278-G289 WeakPolarHBondContact CB-O 3.43Å; Y279-G289 VanDerWaalsContact CD1-O 3.27Å; Y279-G289 WeakPolarHBondContact CD1-O 3.27Å; Y279-G289 PolarHBondContact N-O 3.11Å; Y279-G289 PolarHBondContact O-N 3.49Å; P287-G289 PolarHBondContact O-N 3.17Å |
| 290 | K | 95.8 | Very high | 93.6 | Very high | 160 Ų | 160 | 66.7 Ų | 66.7 | 70% | 0.696 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 143.5 | 167.8 | -173.7 | 176.6 | 178.3 | 178.8 | 0 | 109.4 | F278 | F278-K290 HydrophobicContact CD1-CB 4.07Å; F278-K290 HydrophobicContact CE1-CB 3.83Å; F278-K290 HydrophobicContact CE1-CG 4.48Å; F278-K290 HydrophobicContact CZ-CB 4.27Å; F278-K290 HydrophobicContact CZ-CG 4.46Å |
| 291 | C | 95.9 | Very high | 93.6 | Very high | 18 Ų | 18 | 67.6 Ų | 67.6 | 12% | 0.122 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 133.7 | 175.3 | -72.7 | 0 | 0 | 0 | 0 | 112 | G277 S295 H296 S297 C305 | G277-C291 PolarHBondContact O-N 3.09Å; G277-C291 PolarHBondContact O-SG 2.93Å; C291-S295 WeakPolarHBondContact CB-O 3.33Å; C291-H296 VanDerWaalsContact SG-C 3.51Å; C291-S297 PolarHBondContact SG-N 2.88Å; C291-S297 VanDerWaalsContact SG-N 3.39Å; C291-S297 PolarHBondContact SG-OG 2.95Å; C291-C305 WeakPolarHBondContact CA-SG 3.42Å; C291-C305 HydrophobicContact CB-CB 3.68Å; C291-C305 WeakPolarHBondContact CB-SG 3.12Å; C291-C305 WeakPolarHBondContact SG-CB 3.32Å; C291-C305 CovalentContact SG-SG 2.03Å; C291-C305 PolarHBondContact SG-SG 3.43Å |
| 292 | P | 95.4 | Very high | 93.7 | Very high | 18 Ų | 18 | 65.5 Ų | 65.5 | 12% | 0.117 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 162.5 | 174.7 | -25.9 | 36 | 0 | 0 | 0 | 112.9 | Y279 S295 A320 A321 P322 | Y279-P292 HydrophobicContact CE1-CG 4.48Å; P292-S295 WeakPolarHBondContact CD-OG 3.35Å; P292-S295 PolarHBondContact O-N 3.39Å; P292-S295 PolarHBondContact O-OG 2.95Å; P292-A320 WeakPolarHBondContact CG-O 3.3Å; P292-A321 WeakPolarHBondContact CB-O 3.36Å; P292-P322 HydrophobicContact CB-CB 4.44Å |
| 293 | Q | 94.6 | Very high | 93.7 | Very high | 148 Ų | 148 | 64.1 Ų | 64.1 | 69% | 0.692 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 144.3 | 176.7 | -68.1 | -178.3 | -9.7 | 0 | 0 | 111.6 | S295 P322 C323 | Q293-S295 PolarHBondContact O-N 2.86Å; Q293-P322 HydrophobicContact CB-CB 3.96Å; Q293-P322 WeakPolarHBondContact O-CA 3.19Å; Q293-C323 PolarHBondContact O-N 3.39Å |
| 294 | H | 95.3 | Very high | 93.7 | Very high | 70 Ų | 70 | 65.5 Ų | 65.5 | 32% | 0.324 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 31 | -175.1 | -51.9 | -61.9 | 0 | 0 | 0 | 114.5 | C307 D308 Y311 C323 | H294-C307 WeakPolarHBondContact O-CA 3.04Å; H294-D308 VanDerWaalsContact C-CG 3.44Å; H294-D308 VanDerWaalsContact C-OD2 3.3Å; H294-D308 VanDerWaalsContact CA-OD2 3.23Å; H294-D308 WeakPolarHBondContact CA-OD2 3.34Å; H294-D308 PolarHBondContact O-N 2.74Å; H294-Y311 HydrophobicContact CB-CD1 3.57Å; H294-Y311 HydrophobicContact CB-CD2 3.96Å; H294-Y311 HydrophobicContact CB-CE1 3.99Å; H294-Y311 HydrophobicContact CB-CE2 4.33Å; H294-Y311 HydrophobicContact CB-CG 3.56Å; H294-Y311 AromaticContact CD2-CD1 3.75Å; H294-Y311 AromaticContact CD2-CE1 3.36Å; H294-Y311 WeakPolarHBondContact CD2-CE1 3.26Å; H294-Y311 AromaticContact CD2-CZ 3.86Å; H294-Y311 AromaticContact CE1-CE1 3.89Å; H294-Y311 AromaticContact CE1-CZ 3.57Å; H294-Y311 PolarHBondContact CE1-OH 3.48Å; H294-Y311 AromaticContact CG-CD1 3.55Å; H294-Y311 AromaticContact CG-CE1 3.41Å; H294-Y311 VanDerWaalsContact CG-CE1 3.41Å; H294-Y311 AromaticContact CG-CE2 3.96Å; H294-Y311 AromaticContact CG-CG 3.9Å; H294-Y311 AromaticContact CG-CZ 3.62Å; H294-Y311 AromaticContact ND1-CE1 3.75Å; H294-Y311 AromaticContact ND1-CE2 3.67Å; H294-Y311 AromaticContact ND1-CZ 3.44Å; H294-Y311 AromaticContact NE2-CE1 3.7Å; H294-Y311 AromaticContact NE2-CZ 3.84Å; H294-C323 HydrophobicContact CB-CB 4.06Å; H294-C323 VanDerWaalsContact O-CB 3.32Å; H294-C323 WeakPolarHBondContact O-CB 3.17Å; H294-C323 PolarHBondContact O-SG 2.96Å |
| 295 | S | 95.9 | Very high | 94 | Very high | 13 Ų | 13 | 64.8 Ų | 64.8 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -148.9 | 154.2 | 170.4 | 63.2 | 0 | 0 | 0 | 0 | 111.6 | C291 P292 Q293 P306 R313 | C291-S295 WeakPolarHBondContact CB-O 3.33Å; P292-S295 WeakPolarHBondContact CD-OG 3.35Å; P292-S295 PolarHBondContact O-N 3.39Å; P292-S295 PolarHBondContact O-OG 2.95Å; Q293-S295 PolarHBondContact O-N 2.86Å; S295-P306 WeakPolarHBondContact CA-O 3.19Å; S295-P306 WeakPolarHBondContact CB-O 3.46Å; S295-R313 PolarHBondContact OG-NH2 2.91Å; S295-R313 VanDerWaalsContact OG-NH2 3.1Å |
| 296 | H | 93.9 | Very high | 94.4 | Very high | 79 Ų | 79 | 64.8 Ų | 64.8 | 37% | 0.366 | 36% | 0.36 | S | S | . | . | trans | -144.4 | 166.5 | 179.5 | 63.6 | -84.5 | 0 | 0 | 0 | 111.6 | C291 E298 C305 P306 D308 | C291-H296 VanDerWaalsContact SG-C 3.51Å; H296-E298 IonicContact NE2-OE1 3.6Å; H296-C305 CarbonylContact O-C 3.58Å; H296-C305 WeakPolarHBondContact O-CA 3.07Å; H296-P306 PolarHBondContact N-O 3.44Å; H296-P306 VanDerWaalsContact N-O 3.14Å; H296-P306 VanDerWaalsContact O-CD 3.28Å; H296-P306 WeakPolarHBondContact O-CD 3.36Å; H296-D308 IonicContact CE1-OD1 3.27Å; H296-D308 IonicContact CG-OD1 2.71Å; H296-D308 IonicContact ND1-OD1 3.78Å; H296-D308 PolarHBondContact ND1-OD1 3.1Å | ||
| 297 | S | 95.1 | Very high | 94.8 | Very high | 6 Ų | 6 | 64.9 Ų | 64.9 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | trans | -127.6 | 125.5 | 170 | 57.4 | 0 | 0 | 0 | 0 | 108.9 | V276 G277 F278 C291 | V276-S297 VanDerWaalsContact CG1-O 3.28Å; V276-S297 WeakPolarHBondContact CG1-O 3.45Å; G277-S297 VanDerWaalsContact CA-OG 3.29Å; G277-S297 WeakPolarHBondContact CA-OG 3.4Å; G277-S297 PolarHBondContact N-O 2.79Å; G277-S297 VanDerWaalsContact N-O 3.13Å; G277-S297 PolarHBondContact N-OG 3.31Å; F278-S297 PolarHBondContact N-OG 2.69Å; F278-S297 PolarHBondContact O-OG 3.43Å; C291-S297 PolarHBondContact SG-N 2.88Å; C291-S297 VanDerWaalsContact SG-N 3.39Å; C291-S297 PolarHBondContact SG-OG 2.95Å | ||
| 298 | E | 91.3 | Very high | 94.8 | Very high | 157 Ų | 157 | 62.8 Ų | 62.8 | 73% | 0.734 | 34% | 0.337 | S | S | * | . | trans | -87.5 | -17.9 | -177 | -59.7 | -171.9 | 139.6 | 0 | 0 | 113.2 | H296 | H296-E298 IonicContact NE2-OE1 3.6Š| ||
| 299 | T | 93.3 | Very high | 94.6 | Very high | 94 Ų | 94 | 67.4 Ų | 67.4 | 58% | 0.577 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -119.9 | 155 | -173.8 | 53.3 | 0 | 0 | 0 | 0 | 112 | ||
| 300 | R | 95.6 | Very high | 94.4 | Very high | 155 Ų | 155 | 70.1 Ų | 70.1 | 59% | 0.585 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 157.5 | 167.8 | -74.5 | -178.4 | 164.8 | 174.6 | -9.2 | 111.1 | A273 C274 E275 V276 A302 | A273-R300 HydrophobicContact CB-CB 4.37Å; C274-R300 CarbonylContact O-C 3.54Å; C274-R300 WeakPolarHBondContact O-CA 3.24Å; C274-R300 WeakPolarHBondContact O-CB 3.48Å; E275-R300 IonicContact OE1-CZ 3.53Å; E275-R300 IonicContact OE1-NE 2.67Å; E275-R300 IonicContact OE1-NH2 3.89Å; E275-R300 PolarHBondContact OE1-NH2 2.91Å; E275-R300 IonicContact OE2-CZ 2.76Å; E275-R300 VanDerWaalsContact OE2-CZ 3.25Å; E275-R300 IonicContact OE2-NE 3.74Å; E275-R300 PolarHBondContact OE2-NE 3.08Å; E275-R300 IonicContact OE2-NH2 3.18Å; E275-R300 PolarHBondContact OE2-NH2 3.17Å; V276-R300 HydrophobicContact CG2-CG 4.1Å; R300-A302 VanDerWaalsContact C-N 3.25Å; R300-A302 PolarHBondContact O-N 3.07Å |
| 301 | A | 95.1 | Very high | 94.3 | Very high | 30 Ų | 30 | 64.7 Ų | 64.7 | 25% | 0.248 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 31.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G263 F264 A273 C274 V303 | G263-A301 VanDerWaalsContact O-CA 3.26Å; G263-A301 WeakPolarHBondContact O-CA 3.06Å; F264-A301 HydrophobicContact CD2-CB 4.43Å; F264-A301 HydrophobicContact CE2-CB 3.85Å; F264-A301 HydrophobicContact CZ-CB 3.99Å; A273-A301 HydrophobicContact CB-CB 3.84Å; C274-A301 PolarHBondContact O-N 3.29Å; A301-V303 PolarHBondContact O-N 2.87Å |
| 302 | A | 95.8 | Very high | 94.2 | Very high | 10 Ų | 10 | 66.3 Ų | 66.3 | 8% | 0.083 | 36% | 0.356 | C | S | . | . | trans | -63.3 | 133.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y279 K280 R300 | Y279-A302 CarbonylContact C-O 3.54Å; Y279-A302 WeakPolarHBondContact CA-O 3.33Å; Y279-A302 WeakPolarHBondContact CB-O 3.28Å; K280-A302 PolarHBondContact N-O 2.76Å; R300-A302 VanDerWaalsContact C-N 3.25Å; R300-A302 PolarHBondContact O-N 3.07Å | ||
| 303 | V | 94.8 | Very high | 94.1 | Very high | 72 Ų | 72 | 68 Ų | 68 | 44% | 0.436 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -93.7 | -13.4 | 174 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | A262 K280 P281 A301 | A262-V303 HydrophobicContact CB-CB 4.48Å; A262-V303 HydrophobicContact CB-CG1 3.69Å; K280-V303 WeakPolarHBondContact O-CA 3.42Å; P281-V303 WeakPolarHBondContact CA-O 3.49Å; P281-V303 WeakPolarHBondContact CB-O 3.47Å; A301-V303 PolarHBondContact O-N 2.87Å |
| 304 | S | 94.2 | Very high | 94.1 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 47% | 0.469 | 33% | 0.333 | S | S | . | . | trans | -152.2 | 157.2 | 178.1 | 59.4 | 0 | 0 | 0 | 0 | 110 | P306 | S304-P306 WeakPolarHBondContact O-CD 3.23Š| ||
| 305 | C | 95.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.02 | 36% | 0.36 | C | S | . | . | trans | -106.9 | 104.5 | 169.6 | -54.8 | 0 | 0 | 0 | 0 | 108.8 | Y279 C291 H296 R313 | Y279-C305 WeakPolarHBondContact CD1-SG 3.44Å; C291-C305 WeakPolarHBondContact CA-SG 3.42Å; C291-C305 HydrophobicContact CB-CB 3.68Å; C291-C305 WeakPolarHBondContact CB-SG 3.12Å; C291-C305 WeakPolarHBondContact SG-CB 3.32Å; C291-C305 CovalentContact SG-SG 2.03Å; C291-C305 PolarHBondContact SG-SG 3.43Å; H296-C305 CarbonylContact O-C 3.58Å; H296-C305 WeakPolarHBondContact O-CA 3.07Å; C305-R313 PolarHBondContact O-NH1 3.29Å | ||
| 306 | P | 94.4 | Very high | 93.5 | Very high | 78 Ų | 78 | 70.3 Ų | 70.3 | 51% | 0.506 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -46.7 | 142.3 | 166.7 | -30.8 | 36.1 | 0 | 0 | 0 | 112.5 | S295 H296 S304 | S295-P306 WeakPolarHBondContact CA-O 3.19Å; S295-P306 WeakPolarHBondContact CB-O 3.46Å; H296-P306 PolarHBondContact N-O 3.44Å; H296-P306 VanDerWaalsContact N-O 3.14Å; H296-P306 VanDerWaalsContact O-CD 3.28Å; H296-P306 WeakPolarHBondContact O-CD 3.36Å; S304-P306 WeakPolarHBondContact O-CD 3.23Å |
| 307 | C | 95 | Very high | 93.4 | Very high | 41 Ų | 41 | 68 Ų | 68 | 28% | 0.277 | 39% | 0.386 | S | S | . | . | B | Isolated β-bridge | trans | -71.8 | 148.7 | 176.1 | -63.4 | 0 | 0 | 0 | 0 | 111.4 | H294 Y311 C323 | H294-C307 WeakPolarHBondContact O-CA 3.04Å; C307-Y311 WeakPolarHBondContact CB-O 3.49Å; C307-C323 WeakPolarHBondContact CA-SG 3.28Å; C307-C323 HydrophobicContact CB-CB 3.66Å; C307-C323 WeakPolarHBondContact CB-SG 3.47Å; C307-C323 WeakPolarHBondContact SG-CB 3.34Å; C307-C323 CovalentContact SG-SG 2.04Å; C307-C323 PolarHBondContact SG-SG 3.14Å |
| 308 | D | 94.3 | Very high | 93.2 | Very high | 56 Ų | 56 | 71.5 Ų | 71.5 | 30% | 0.299 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 159.3 | 170.4 | -60.5 | -18.3 | 0 | 0 | 0 | 110.7 | H294 H296 N310 Y311 | H294-D308 VanDerWaalsContact C-CG 3.44Å; H294-D308 VanDerWaalsContact C-OD2 3.3Å; H294-D308 VanDerWaalsContact CA-OD2 3.23Å; H294-D308 WeakPolarHBondContact CA-OD2 3.34Å; H294-D308 PolarHBondContact O-N 2.74Å; H296-D308 IonicContact CE1-OD1 3.27Å; H296-D308 IonicContact CG-OD1 2.71Å; H296-D308 IonicContact ND1-OD1 3.78Å; H296-D308 PolarHBondContact ND1-OD1 3.1Å; D308-N310 PolarHBondContact O-N 3.19Å; D308-Y311 HydrophobicContact CB-CD2 4.4Å; D308-Y311 PolarHBondContact O-N 3.37Å |
| 309 | S | 91.4 | Very high | 93.1 | Very high | 109 Ų | 109 | 67.4 Ų | 67.4 | 76% | 0.762 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 133.6 | 179 | -59.9 | 0 | 0 | 0 | 0 | 112.7 | Y311 | S309-Y311 WeakPolarHBondContact O-CD2 3.12Å; S309-Y311 PolarHBondContact O-N 3.4Å |
| 310 | N | 89.9 | Confident | 92.9 | Very high | 89 Ų | 89 | 66.3 Ų | 66.3 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 13.6 | -175.5 | -55.6 | -11.9 | 0 | 0 | 0 | 115.7 | D308 Y312 | D308-N310 PolarHBondContact O-N 3.19Å; N310-Y312 WeakPolarHBondContact O-CE2 3.23Å |
| 311 | Y | 94 | Very high | 92.8 | Very high | 46 Ų | 46 | 59.7 Ų | 59.7 | 18% | 0.18 | 38% | 0.375 | C | S | . | . | trans | -116.8 | 150.4 | 167.9 | -68.9 | -95.4 | 0 | 0 | 0 | 111.4 | H294 C307 D308 S309 S324 R325 | H294-Y311 HydrophobicContact CB-CD1 3.57Å; H294-Y311 HydrophobicContact CB-CD2 3.96Å; H294-Y311 HydrophobicContact CB-CE1 3.99Å; H294-Y311 HydrophobicContact CB-CE2 4.33Å; H294-Y311 HydrophobicContact CB-CG 3.56Å; H294-Y311 AromaticContact CD2-CD1 3.75Å; H294-Y311 AromaticContact CD2-CE1 3.36Å; H294-Y311 WeakPolarHBondContact CD2-CE1 3.26Å; H294-Y311 AromaticContact CD2-CZ 3.86Å; H294-Y311 AromaticContact CE1-CE1 3.89Å; H294-Y311 AromaticContact CE1-CZ 3.57Å; H294-Y311 PolarHBondContact CE1-OH 3.48Å; H294-Y311 AromaticContact CG-CD1 3.55Å; H294-Y311 AromaticContact CG-CE1 3.41Å; H294-Y311 VanDerWaalsContact CG-CE1 3.41Å; H294-Y311 AromaticContact CG-CE2 3.96Å; H294-Y311 AromaticContact CG-CG 3.9Å; H294-Y311 AromaticContact CG-CZ 3.62Å; H294-Y311 AromaticContact ND1-CE1 3.75Å; H294-Y311 AromaticContact ND1-CE2 3.67Å; H294-Y311 AromaticContact ND1-CZ 3.44Å; H294-Y311 AromaticContact NE2-CE1 3.7Å; H294-Y311 AromaticContact NE2-CZ 3.84Å; C307-Y311 WeakPolarHBondContact CB-O 3.49Å; D308-Y311 HydrophobicContact CB-CD2 4.4Å; D308-Y311 PolarHBondContact O-N 3.37Å; S309-Y311 WeakPolarHBondContact O-CD2 3.12Å; S309-Y311 PolarHBondContact O-N 3.4Å; Y311-S324 CarbonylContact C-O 3.47Å; Y311-S324 WeakPolarHBondContact CA-O 3.49Å; Y311-R325 HydrophobicContact CD1-CB 4.12Å; Y311-R325 HydrophobicContact CE1-CB 4.19Å; Y311-R325 HydrophobicContact CE1-CG 4.14Å; Y311-R325 PolarHBondContact OH-NH1 2.67Å | ||
| 312 | Y | 94.1 | Very high | 92.8 | Very high | 51 Ų | 51 | 61.3 Ų | 61.3 | 20% | 0.2 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -145.9 | 160.6 | -168.5 | -49.6 | -86.4 | 0 | 0 | 0 | 111.4 | N310 C323 S324 L448 | N310-Y312 WeakPolarHBondContact O-CE2 3.23Å; Y312-C323 WeakPolarHBondContact O-CA 3.29Å; Y312-S324 PolarHBondContact N-O 3.26Å; Y312-S324 PolarHBondContact O-N 3.16Å; Y312-S324 PolarHBondContact O-OG 2.68Å; Y312-L448 HydrophobicContact CD1-CB 3.75Å; Y312-L448 HydrophobicContact CE1-CB 4.22Å; Y312-L448 WeakPolarHBondContact CE1-O 3.34Å; Y312-L448 HydrophobicContact CG-CB 3.94Å; Y312-L448 HydrophobicContact CG-CD1 4.43Å |
| 313 | R | 93.8 | Very high | 92.8 | Very high | 54 Ų | 54 | 61 Ų | 61 | 20% | 0.204 | 38% | 0.38 | C | S | . | . | trans | -117 | 141.9 | 164.6 | -72.4 | -176.4 | -174.5 | 99 | 2.3 | 109.1 | S295 C305 D317 A321 C323 L448 | S295-R313 PolarHBondContact OG-NH2 2.91Å; S295-R313 VanDerWaalsContact OG-NH2 3.1Å; C305-R313 PolarHBondContact O-NH1 3.29Å; R313-D317 WeakPolarHBondContact CA-OD2 3.34Å; R313-D317 HydrophobicContact CB-CB 4.12Å; R313-D317 HydrophobicContact CG-CB 4.44Å; R313-A321 PolarHBondContact NE-O 2.87Å; R313-A321 PolarHBondContact NH2-O 2.63Å; R313-C323 PolarHBondContact NH1-SG 3.35Å; R313-C323 VanDerWaalsContact NH1-SG 3.37Å; R313-L448 WeakPolarHBondContact O-CD1 3.4Å | ||
| 314 | A | 93.2 | Very high | 92.8 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 11% | 0.107 | 36% | 0.361 | C | S | . | . | trans | -73.3 | 162.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | D316 D317 A444 V445 | A314-D316 PolarHBondContact O-N 2.99Å; A314-D317 PolarHBondContact N-OD2 2.74Å; A314-D317 WeakPolarHBondContact O-CB 3.4Å; A314-D317 PolarHBondContact O-N 2.95Å; A314-D317 VanDerWaalsContact O-N 3.12Å; A314-A444 HydrophobicContact CB-CB 3.85Å; A314-V445 HydrophobicContact CB-CG1 4.35Å | ||
| 315 | A | 89.8 | Confident | 92.8 | Very high | 108 Ų | 108 | 59.5 Ų | 59.5 | 89% | 0.893 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -30.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 316 | D | 89.6 | Confident | 92.8 | Very high | 158 Ų | 158 | 60.8 Ų | 60.8 | 85% | 0.845 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -3.4 | 179.1 | -55.3 | -48.4 | 0 | 0 | 0 | 113.4 | A314 | A314-D316 PolarHBondContact O-N 2.99Š|
| 317 | D | 91.6 | Very high | 92.8 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 16% | 0.16 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -74.6 | 129.1 | 179 | -71.6 | -20.7 | 0 | 0 | 0 | 110.2 | R313 A314 A321 R355 | R313-D317 WeakPolarHBondContact CA-OD2 3.34Å; R313-D317 HydrophobicContact CB-CB 4.12Å; R313-D317 HydrophobicContact CG-CB 4.44Å; A314-D317 PolarHBondContact N-OD2 2.74Å; A314-D317 WeakPolarHBondContact O-CB 3.4Å; A314-D317 PolarHBondContact O-N 2.95Å; A314-D317 VanDerWaalsContact O-N 3.12Å; D317-A321 HydrophobicContact CB-CB 4.08Å; D317-R355 IonicContact OD1-CZ 3.75Å; D317-R355 IonicContact OD1-NH1 3.85Å; D317-R355 PolarHBondContact OD1-NH1 3.45Å; D317-R355 IonicContact OD1-NH2 3.53Å; D317-R355 PolarHBondContact OD1-NH2 3.29Å; D317-R355 IonicContact OD2-CZ 2.63Å; D317-R355 IonicContact OD2-NH1 2.69Å; D317-R355 PolarHBondContact OD2-NH1 2.94Å; D317-R355 IonicContact OD2-NH2 2.94Å |
| 318 | P | 91.2 | Very high | 92.8 | Very high | 81 Ų | 81 | 56.7 Ų | 56.7 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | trans | -65.8 | 154.9 | 175.4 | 27.8 | -34.7 | 0 | 0 | 0 | 111 | A320 A321 | P318-A320 PolarHBondContact O-N 3.26Å; P318-A321 HydrophobicContact CG-CB 4.17Å; P318-A321 VanDerWaalsContact O-CB 3.24Å; P318-A321 WeakPolarHBondContact O-CB 3.39Å; P318-A321 PolarHBondContact O-N 2.82Å | ||
| 319 | P | 88.5 | Confident | 92.8 | Very high | 71 Ų | 71 | 55 Ų | 55 | 46% | 0.461 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -27.2 | 179.5 | -28.3 | 35.5 | 0 | 0 | 0 | 114.9 | Y279 P281 A321 | Y279-P319 HydrophobicContact CE2-CB 4.05Å; Y279-P319 PolarHBondContact OH-O 3.07Å; P281-P319 HydrophobicContact CB-CB 4.23Å; P281-P319 HydrophobicContact CB-CG 4.26Å; P281-P319 HydrophobicContact CG-CB 4.18Å; P281-P319 HydrophobicContact CG-CG 4.38Å; P319-A321 VanDerWaalsContact C-N 3.34Å |
| 320 | A | 90.1 | Very high | 92.9 | Very high | 70 Ų | 70 | 50.1 Ų | 50.1 | 58% | 0.579 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -7.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y279 P292 P318 | Y279-A320 VanDerWaalsContact OH-CA 3.23Å; Y279-A320 WeakPolarHBondContact OH-CA 3.44Å; Y279-A320 PolarHBondContact OH-N 3.03Å; P292-A320 WeakPolarHBondContact CG-O 3.3Å; P318-A320 PolarHBondContact O-N 3.26Å |
| 321 | A | 92.7 | Very high | 93.1 | Very high | 17 Ų | 17 | 47.7 Ų | 47.7 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -66.5 | 140.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P292 R313 D317 P318 P319 | P292-A321 WeakPolarHBondContact CB-O 3.36Å; R313-A321 PolarHBondContact NE-O 2.87Å; R313-A321 PolarHBondContact NH2-O 2.63Å; D317-A321 HydrophobicContact CB-CB 4.08Å; P318-A321 HydrophobicContact CG-CB 4.17Å; P318-A321 VanDerWaalsContact O-CB 3.24Å; P318-A321 WeakPolarHBondContact O-CB 3.39Å; P318-A321 PolarHBondContact O-N 2.82Å; P319-A321 VanDerWaalsContact C-N 3.34Å |
| 322 | P | 94.9 | Very high | 92.9 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 42% | 0.416 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 148.8 | 168 | 30.5 | -35.2 | 0 | 0 | 0 | 109.9 | P292 Q293 | P292-P322 HydrophobicContact CB-CB 4.44Å; Q293-P322 HydrophobicContact CB-CB 3.96Å; Q293-P322 WeakPolarHBondContact O-CA 3.19Å |
| 323 | C | 95.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.027 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -71 | 146.1 | 169.2 | -57.5 | 0 | 0 | 0 | 0 | 109.4 | Q293 H294 C307 Y312 R313 | Q293-C323 PolarHBondContact O-N 3.39Å; H294-C323 HydrophobicContact CB-CB 4.06Å; H294-C323 VanDerWaalsContact O-CB 3.32Å; H294-C323 WeakPolarHBondContact O-CB 3.17Å; H294-C323 PolarHBondContact O-SG 2.96Å; C307-C323 WeakPolarHBondContact CA-SG 3.28Å; C307-C323 HydrophobicContact CB-CB 3.66Å; C307-C323 WeakPolarHBondContact CB-SG 3.47Å; C307-C323 WeakPolarHBondContact SG-CB 3.34Å; C307-C323 CovalentContact SG-SG 2.04Å; C307-C323 PolarHBondContact SG-SG 3.14Å; Y312-C323 WeakPolarHBondContact O-CA 3.29Å; R313-C323 PolarHBondContact NH1-SG 3.35Å; R313-C323 VanDerWaalsContact NH1-SG 3.37Å |
| 324 | S | 95.8 | Very high | 92.6 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -129.5 | 164.1 | -169.2 | 54.3 | 0 | 0 | 0 | 0 | 110.4 | Y311 Y312 G353 R355 V445 | Y311-S324 CarbonylContact C-O 3.47Å; Y311-S324 WeakPolarHBondContact CA-O 3.49Å; Y312-S324 PolarHBondContact N-O 3.26Å; Y312-S324 PolarHBondContact O-N 3.16Å; Y312-S324 PolarHBondContact O-OG 2.68Å; S324-G353 WeakPolarHBondContact CA-O 3.23Å; S324-G353 VanDerWaalsContact CB-O 3.25Å; S324-G353 WeakPolarHBondContact CB-O 3.27Å; S324-R355 WeakPolarHBondContact OG-CD 3.5Å; S324-R355 PolarHBondContact OG-NH1 3.22Å; S324-V445 WeakPolarHBondContact OG-CG1 3.17Å |
| 325 | R | 94.3 | Very high | 92.5 | Very high | 101 Ų | 101 | 54 Ų | 54 | 38% | 0.381 | 33% | 0.333 | S | S | . | . | trans | -126.6 | 168.6 | -178 | 67.9 | 178.1 | -176.7 | -169.9 | 1.6 | 111.9 | Y311 D351 G353 N443 V445 | Y311-R325 HydrophobicContact CD1-CB 4.12Å; Y311-R325 HydrophobicContact CE1-CB 4.19Å; Y311-R325 HydrophobicContact CE1-CG 4.14Å; Y311-R325 PolarHBondContact OH-NH1 2.67Å; R325-D351 IonicContact CZ-OD2 3.56Å; R325-D351 IonicContact NE-OD2 3.84Å; R325-D351 PolarHBondContact NE-OD2 2.68Å; R325-D351 IonicContact NH2-OD2 3.8Å; R325-D351 PolarHBondContact NH2-OD2 2.86Å; R325-G353 PolarHBondContact N-O 3.25Å; R325-G353 WeakPolarHBondContact O-CA 3.45Å; R325-N443 PolarHBondContact O-ND2 3.37Å; R325-V445 WeakPolarHBondContact O-CG2 3.44Å | ||
| 326 | P | 94.5 | Very high | 92.5 | Very high | 30 Ų | 30 | 52.5 Ų | 52.5 | 20% | 0.195 | 32% | 0.316 | C | S | . | . | trans | -59.9 | 151.5 | 171.3 | -19.4 | 31.8 | 0 | 0 | 0 | 111.5 | T446 | P326-T446 HydrophobicContact CB-CG2 4.27Š| ||
| 327 | P | 95.1 | Very high | 92.4 | Very high | 9 Ų | 9 | 47 Ų | 47 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | trans | -77.3 | 161.5 | 179.8 | 34.5 | -35 | 0 | 0 | 0 | 111.9 | P349 D351 L358 A441 T446 | P327-P349 HydrophobicContact CB-CB 4.38Å; P327-P349 HydrophobicContact CB-CG 4.28Å; P327-D351 CarbonylContact C-O 3.48Å; P327-D351 WeakPolarHBondContact CA-O 3.3Å; P327-L358 HydrophobicContact CB-CD2 3.77Å; P327-L358 HydrophobicContact CG-CD2 3.98Å; P327-A441 HydrophobicContact CB-CB 4.33Å; P327-A441 HydrophobicContact CG-CB 3.84Å; P327-T446 WeakPolarHBondContact CD-OG1 3.41Å | ||
| 328 | S | 94.5 | Very high | 92 | Very high | 23 Ų | 23 | 51.3 Ų | 51.3 | 16% | 0.161 | 31% | 0.311 | C | S | . | . | trans | -70.7 | 174.1 | 167.8 | 75.5 | 0 | 0 | 0 | 0 | 111.7 | P349 L350 D351 | S328-P349 WeakPolarHBondContact O-CB 3.49Å; S328-P349 WeakPolarHBondContact O-CG 3.43Å; S328-P349 WeakPolarHBondContact OG-CB 3.22Å; S328-L350 PolarHBondContact OG-N 2.74Å; S328-D351 PolarHBondContact N-O 3.03Å; S328-D351 PolarHBondContact OG-N 2.96Å; S328-D351 PolarHBondContact OG-O 2.93Å | ||
| 329 | A | 93.8 | Very high | 91.4 | Very high | 22 Ų | 22 | 48.6 Ų | 48.6 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | trans | -56.9 | 149.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P349 Q454 | A329-P349 WeakPolarHBondContact O-CA 3.39Å; A329-Q454 HydrophobicContact CB-CB 4.02Å | ||
| 330 | P | 94.5 | Very high | 91.3 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.032 | 29% | 0.294 | C | S | . | . | trans | -56.5 | 158.4 | 163.2 | -21.4 | 32.3 | 0 | 0 | 0 | 112.1 | W346 Y360 I439 A441 A456 | P330-W346 HydrophobicContact CB-CB 4.47Å; P330-W346 HydrophobicContact CB-CG 4.3Å; P330-Y360 HydrophobicContact CG-CD1 4.18Å; P330-Y360 HydrophobicContact CG-CE1 4.22Å; P330-I439 HydrophobicContact CG-CB 4.42Å; P330-I439 HydrophobicContact CG-CG2 4Å; P330-A441 HydrophobicContact CG-CB 4.11Å; P330-A456 HydrophobicContact CB-CB 4.36Å | ||
| 331 | V | 92.9 | Very high | 91.2 | Very high | 39 Ų | 39 | 46.3 Ų | 46.3 | 24% | 0.236 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 170.8 | 177.3 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | V333 D347 L350 | V331-V333 VanDerWaalsContact C-N 3.34Å; V331-V333 PolarHBondContact O-N 3.36Å; V331-D347 HydrophobicContact CG2-CB 3.74Å; V331-D347 PolarHBondContact N-O 3.31Å; V331-D347 PolarHBondContact O-N 3.17Å; V331-L350 HydrophobicContact CG1-CD1 4.09Å; V331-L350 HydrophobicContact CG1-CG 3.9Å |
| 332 | N | 90.9 | Very high | 91.2 | Very high | 105 Ų | 105 | 45.5 Ų | 45.5 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.9 | 48.4 | 175.4 | -56.8 | -22.8 | 0 | 0 | 0 | 114.2 | I334 D347 | N332-I334 PolarHBondContact O-N 3.34Å; N332-D347 HydrophobicContact CB-CB 4.15Å; N332-D347 WeakPolarHBondContact CB-OD2 3.47Å; N332-D347 PolarHBondContact ND2-OD2 3.05Å |
| 333 | V | 91.8 | Very high | 91.1 | Very high | 38 Ų | 38 | 43.9 Ų | 43.9 | 23% | 0.23 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 119.7 | 176.9 | -175.3 | 0 | 0 | 0 | 0 | 110 | V331 E345 W346 I439 A456 V458 | V331-V333 VanDerWaalsContact C-N 3.34Å; V331-V333 PolarHBondContact O-N 3.36Å; V333-E345 CarbonylContact C-O 3.5Å; V333-E345 WeakPolarHBondContact CA-O 3.42Å; V333-W346 HydrophobicContact CG2-CB 4.02Å; V333-I439 HydrophobicContact CG1-CD1 3.78Å; V333-I439 HydrophobicContact CG2-CD1 4.23Å; V333-A456 HydrophobicContact CG2-CB 3.49Å; V333-A456 VanDerWaalsContact CG2-CB 3.49Å; V333-V458 HydrophobicContact CG1-CB 3.92Å; V333-V458 HydrophobicContact CG1-CG1 3.84Å |
| 334 | I | 90.1 | Very high | 91 | Very high | 110 Ų | 110 | 43.7 Ų | 43.7 | 56% | 0.564 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.4 | 178 | -61.5 | 168.4 | 0 | 0 | 0 | 108.4 | N332 L344 E345 | N332-I334 PolarHBondContact O-N 3.34Å; I334-L344 WeakPolarHBondContact O-CA 3.4Å; I334-E345 PolarHBondContact N-O 3.44Å; I334-E345 PolarHBondContact O-N 3.27Å |
| 335 | S | 89.8 | Confident | 91 | Very high | 44 Ų | 44 | 47.2 Ų | 47.2 | 31% | 0.308 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.8 | 175.8 | 61.3 | 0 | 0 | 0 | 0 | 111.6 | V343 I460 | S335-V343 WeakPolarHBondContact CA-O 3.31Å; S335-I460 WeakPolarHBondContact OG-CG2 3.36Å |
| 336 | S | 89.4 | Confident | 91 | Very high | 75 Ų | 75 | 42.7 Ų | 42.7 | 52% | 0.524 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.3 | 173.1 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | V342 V343 | S336-V342 CarbonylContact O-C 3.51Å; S336-V342 WeakPolarHBondContact O-CA 3.47Å; S336-V343 PolarHBondContact N-O 3.38Å; S336-V343 PolarHBondContact O-N 2.79Å |
| 337 | V | 88.9 | Confident | 91 | Very high | 42 Ų | 42 | 45.2 Ų | 45.2 | 26% | 0.255 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123 | -174.5 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | V342 I460 | V337-V342 HydrophobicContact CG1-CG2 4.31Å; V337-V342 HydrophobicContact CG2-CG2 4.27Å; V337-I460 HydrophobicContact CG2-CB 4.32Å; V337-I460 HydrophobicContact CG2-CD1 4.47Å |
| 338 | N | 81.8 | Confident | 90.9 | Very high | 122 Ų | 122 | 53.5 Ų | 53.5 | 65% | 0.652 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 94.4 | 176.7 | -173.6 | 5.7 | 0 | 0 | 0 | 110.2 | T340 S341 | N338-T340 PolarHBondContact O-N 3.04Å; N338-S341 CarbonylContact C-O 3.6Å; N338-S341 PolarHBondContact N-O 2.87Å; N338-S341 PolarHBondContact O-N 3.03Å; N338-S341 PolarHBondContact O-OG 2.91Å |
| 339 | G | 80.2 | Confident | 90.9 | Very high | 24 Ų | 24 | 52.8 Ų | 52.8 | 25% | 0.247 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | -116.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N463 | G339-N463 PolarHBondContact N-ND2 3.4Å; G339-N463 PolarHBondContact O-N 3.42Å |
| 340 | T | 84.9 | Confident | 90.8 | Very high | 62 Ų | 62 | 59.1 Ų | 59.1 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 11.9 | 174.5 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | N338 L429 A431 | N338-T340 PolarHBondContact O-N 3.04Å; T340-L429 WeakPolarHBondContact CB-O 3.27Å; T340-L429 WeakPolarHBondContact CG2-O 3.37Å; T340-L429 WeakPolarHBondContact O-CB 3.46Å; T340-L429 PolarHBondContact O-N 3.01Å; T340-L429 VanDerWaalsContact O-N 3.09Å; T340-A431 HydrophobicContact CG2-CB 4.1Å |
| 341 | S | 88.4 | Confident | 90.8 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 149.6 | 177.7 | 69.6 | 0 | 0 | 0 | 0 | 111.6 | N338 V426 | N338-S341 CarbonylContact C-O 3.6Å; N338-S341 PolarHBondContact N-O 2.87Å; N338-S341 PolarHBondContact O-N 3.03Å; N338-S341 PolarHBondContact O-OG 2.91Å; S341-V426 CarbonylContact C-O 3.59Å; S341-V426 WeakPolarHBondContact CA-O 3.07Å |
| 342 | V | 92.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 130.9 | -176.1 | 173.8 | 0 | 0 | 0 | 0 | 109 | S336 V337 L344 T425 V426 L429 I460 | S336-V342 CarbonylContact O-C 3.51Å; S336-V342 WeakPolarHBondContact O-CA 3.47Å; V337-V342 HydrophobicContact CG1-CG2 4.31Å; V337-V342 HydrophobicContact CG2-CG2 4.27Å; V342-L344 HydrophobicContact CG1-CD2 3.69Å; V342-L344 HydrophobicContact CG1-CG 4.07Å; V342-T425 CarbonylContact O-C 3.38Å; V342-T425 WeakPolarHBondContact O-CA 3.03Å; V342-V426 HydrophobicContact CB-CB 4.46Å; V342-V426 PolarHBondContact N-O 3.32Å; V342-V426 PolarHBondContact O-N 3.48Å; V342-L429 HydrophobicContact CB-CD1 3.99Å; V342-L429 HydrophobicContact CG2-CD1 3.4Å; V342-I460 HydrophobicContact CB-CD1 4.03Å; V342-I460 HydrophobicContact CG1-CD1 3.54Å; V342-I460 HydrophobicContact CG2-CD1 3.39Å |
| 343 | V | 93.3 | Very high | 90.8 | Very high | 30 Ų | 30 | 56.7 Ų | 56.7 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 127.9 | 167.5 | 178.5 | 0 | 0 | 0 | 0 | 107.8 | S335 S336 E345 R423 T425 | S335-V343 WeakPolarHBondContact CA-O 3.31Å; S336-V343 PolarHBondContact N-O 3.38Å; S336-V343 PolarHBondContact O-N 2.79Å; V343-E345 HydrophobicContact CG1-CG 4.08Å; V343-E345 WeakPolarHBondContact CG1-OE1 3.5Å; V343-R423 HydrophobicContact CG1-CG 4.46Å; V343-R423 VanDerWaalsContact CG1-NH2 3.35Å; V343-T425 HydrophobicContact CG2-CG2 4.25Å |
| 344 | L | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.3 | 170.6 | -57.8 | 179.6 | 0 | 0 | 0 | 108.5 | I334 V342 W346 R423 V424 V426 F437 V458 | I334-L344 WeakPolarHBondContact O-CA 3.4Å; V342-L344 HydrophobicContact CG1-CD2 3.69Å; V342-L344 HydrophobicContact CG1-CG 4.07Å; L344-W346 HydrophobicContact CB-CE3 4.39Å; L344-W346 HydrophobicContact CB-CZ3 4.11Å; L344-R423 CarbonylContact O-C 3.54Å; L344-R423 VanDerWaalsContact O-CA 3.32Å; L344-R423 WeakPolarHBondContact O-CA 3.41Å; L344-V424 HydrophobicContact CB-CG1 4.08Å; L344-V424 HydrophobicContact CD1-CG1 4.31Å; L344-V424 PolarHBondContact N-O 2.93Å; L344-V424 PolarHBondContact O-N 3.42Å; L344-V426 HydrophobicContact CD1-CG2 4.48Å; L344-F437 HydrophobicContact CD1-CB 3.72Å; L344-F437 HydrophobicContact CD1-CD1 3.86Å; L344-F437 HydrophobicContact CD1-CD2 4.29Å; L344-F437 HydrophobicContact CD1-CG 3.68Å; L344-V458 HydrophobicContact CD2-CG1 3.88Å |
| 345 | E | 94.1 | Very high | 90.9 | Very high | 80 Ų | 80 | 54.9 Ų | 54.9 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 144.8 | 176.4 | -74.6 | 168.1 | -163.3 | 0 | 0 | 108.3 | V333 I334 V343 S422 R423 | V333-E345 CarbonylContact C-O 3.5Å; V333-E345 WeakPolarHBondContact CA-O 3.42Å; I334-E345 PolarHBondContact N-O 3.44Å; I334-E345 PolarHBondContact O-N 3.27Å; V343-E345 HydrophobicContact CG1-CG 4.08Å; V343-E345 WeakPolarHBondContact CG1-OE1 3.5Å; E345-S422 WeakPolarHBondContact CA-O 3.27Å; E345-R423 HydrophobicContact CG-CB 4.1Å; E345-R423 HydrophobicContact CG-CG 3.68Å; E345-R423 WeakPolarHBondContact OE1-CD 3.19Å; E345-R423 IonicContact OE1-CZ 2.71Å; E345-R423 IonicContact OE1-NE 3.94Å; E345-R423 PolarHBondContact OE1-NE 3.02Å; E345-R423 IonicContact OE1-NH2 2.69Å |
| 346 | W | 95.1 | Very high | 91 | Very high | 7 Ų | 7 | 58.5 Ų | 58.5 | 3% | 0.027 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 165.6 | 179.9 | 58.4 | 92.2 | 0 | 0 | 0 | 112.1 | P330 V333 L344 Y360 I362 L419 S422 V424 I439 | P330-W346 HydrophobicContact CB-CB 4.47Å; P330-W346 HydrophobicContact CB-CG 4.3Å; V333-W346 HydrophobicContact CG2-CB 4.02Å; L344-W346 HydrophobicContact CB-CE3 4.39Å; L344-W346 HydrophobicContact CB-CZ3 4.11Å; W346-Y360 AromaticContact CE2-CG 3.92Å; W346-Y360 HydrophobicContact CZ2-CD2 4.07Å; W346-Y360 AromaticContact CZ2-CG 3.84Å; W346-Y360 HydrophobicContact CZ2-CG 3.84Å; W346-Y360 AromaticContact NE1-CD1 3.34Å; W346-Y360 VanDerWaalsContact NE1-CD1 3.34Å; W346-Y360 AromaticContact NE1-CD2 3.67Å; W346-Y360 AromaticContact NE1-CE1 3.54Å; W346-Y360 AromaticContact NE1-CE2 3.87Å; W346-Y360 AromaticContact NE1-CG 3.42Å; W346-Y360 AromaticContact NE1-CZ 3.82Å; W346-I362 HydrophobicContact CH2-CD1 3.91Å; W346-I362 HydrophobicContact CH2-CG1 4.49Å; W346-L419 HydrophobicContact CH2-CD1 4.28Å; W346-S422 VanDerWaalsContact CE2-CA 3.46Å; W346-S422 PolarHBondContact N-O 3.02Å; W346-S422 WeakPolarHBondContact O-CB 3.23Å; W346-S422 PolarHBondContact O-OG 3.39Å; W346-V424 HydrophobicContact CH2-CB 4.3Å; W346-V424 HydrophobicContact CH2-CG1 4.19Å; W346-V424 HydrophobicContact CZ3-CB 4.48Å; W346-V424 HydrophobicContact CZ3-CG1 4.04Å; W346-I439 HydrophobicContact CD2-CG2 3.94Å; W346-I439 HydrophobicContact CE3-CG1 4.29Å; W346-I439 HydrophobicContact CE3-CG2 4.33Å; W346-I439 HydrophobicContact CG-CG2 4.41Å; W346-I439 HydrophobicContact CH2-CG2 4.45Å; W346-I439 HydrophobicContact CZ2-CG2 4.03Å |
| 347 | D | 93.8 | Very high | 91.2 | Very high | 82 Ų | 82 | 57.6 Ų | 57.6 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 162.3 | 171.7 | -76.7 | -30.5 | 0 | 0 | 0 | 111.7 | V331 N332 | V331-D347 HydrophobicContact CG2-CB 3.74Å; V331-D347 PolarHBondContact N-O 3.31Å; V331-D347 PolarHBondContact O-N 3.17Å; N332-D347 HydrophobicContact CB-CB 4.15Å; N332-D347 WeakPolarHBondContact CB-OD2 3.47Å; N332-D347 PolarHBondContact ND2-OD2 3.05Å |
| 348 | R | 93.3 | Very high | 91.4 | Very high | 183 Ų | 183 | 56.3 Ų | 56.3 | 69% | 0.691 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 150.4 | 178.6 | -65.8 | -175.2 | 173 | -172.4 | -3.2 | 111.6 | ||
| 349 | P | 95.1 | Very high | 92.1 | Very high | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -50 | 143.9 | 170.1 | -29.2 | 37.2 | 0 | 0 | 0 | 113.3 | P327 S328 A329 D351 A441 | P327-P349 HydrophobicContact CB-CB 4.38Å; P327-P349 HydrophobicContact CB-CG 4.28Å; S328-P349 WeakPolarHBondContact O-CB 3.49Å; S328-P349 WeakPolarHBondContact O-CG 3.43Å; S328-P349 WeakPolarHBondContact OG-CB 3.22Å; A329-P349 WeakPolarHBondContact O-CA 3.39Å; P349-D351 VanDerWaalsContact C-N 3.27Å; P349-D351 WeakPolarHBondContact CB-O 3.24Å; P349-D351 PolarHBondContact O-N 3.17Å; P349-A441 HydrophobicContact CG-CB 3.59Å |
| 350 | L | 92.6 | Very high | 92.8 | Very high | 156 Ų | 156 | 54 Ų | 54 | 82% | 0.817 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -63.8 | -34.7 | 174.4 | -73.7 | 168.8 | 0 | 0 | 0 | 112.1 | S328 V331 | S328-L350 PolarHBondContact OG-N 2.74Å; V331-L350 HydrophobicContact CG1-CD1 4.09Å; V331-L350 HydrophobicContact CG1-CG 3.9Å |
| 351 | D | 93.3 | Very high | 93.2 | Very high | 50 Ų | 50 | 52.5 Ų | 52.5 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | trans | -120.1 | 120.1 | 167.9 | -179.1 | 14.8 | 0 | 0 | 0 | 109.4 | R325 P327 S328 P349 G353 | R325-D351 IonicContact CZ-OD2 3.56Å; R325-D351 IonicContact NE-OD2 3.84Å; R325-D351 PolarHBondContact NE-OD2 2.68Å; R325-D351 IonicContact NH2-OD2 3.8Å; R325-D351 PolarHBondContact NH2-OD2 2.86Å; P327-D351 CarbonylContact C-O 3.48Å; P327-D351 WeakPolarHBondContact CA-O 3.3Å; S328-D351 PolarHBondContact N-O 3.03Å; S328-D351 PolarHBondContact OG-N 2.96Å; S328-D351 PolarHBondContact OG-O 2.93Å; P349-D351 VanDerWaalsContact C-N 3.27Å; P349-D351 WeakPolarHBondContact CB-O 3.24Å; P349-D351 PolarHBondContact O-N 3.17Å; D351-G353 VanDerWaalsContact C-N 3.26Å; D351-G353 WeakPolarHBondContact OD1-CA 3.26Å; D351-G353 PolarHBondContact OD1-N 3.14Å | ||
| 352 | T | 92.9 | Very high | 93.5 | Very high | 42 Ų | 42 | 51.1 Ų | 51.1 | 26% | 0.258 | 28% | 0.281 | S | S | . | . | trans | -86.9 | 0.3 | 176.2 | 73.9 | 0 | 0 | 0 | 0 | 112.8 | G354 R355 L358 N443 | T352-G354 VanDerWaalsContact C-N 3.27Å; T352-R355 VanDerWaalsContact CB-O 3.22Å; T352-R355 WeakPolarHBondContact CB-O 3.5Å; T352-R355 PolarHBondContact OG1-N 3.18Å; T352-R355 PolarHBondContact OG1-O 3.33Å; T352-L358 HydrophobicContact CG2-CD1 3.79Å; T352-N443 PolarHBondContact O-ND2 2.65Å | ||
| 353 | G | 90.4 | Very high | 93.5 | Very high | 5 Ų | 5 | 55.1 Ų | 55.1 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 19.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S324 R325 D351 | S324-G353 WeakPolarHBondContact CA-O 3.23Å; S324-G353 VanDerWaalsContact CB-O 3.25Å; S324-G353 WeakPolarHBondContact CB-O 3.27Å; R325-G353 PolarHBondContact N-O 3.25Å; R325-G353 WeakPolarHBondContact O-CA 3.45Å; D351-G353 VanDerWaalsContact C-N 3.26Å; D351-G353 WeakPolarHBondContact OD1-CA 3.26Å; D351-G353 PolarHBondContact OD1-N 3.14Å |
| 354 | G | 91.4 | Very high | 93.4 | Very high | 70 Ų | 70 | 54 Ų | 54 | 72% | 0.722 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | 5.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T352 | T352-G354 VanDerWaalsContact C-N 3.27Š|
| 355 | R | 92.6 | Very high | 93.2 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 16% | 0.155 | 30% | 0.303 | C | S | . | . | trans | -113.9 | 164.1 | -178.5 | -47.3 | -174.3 | 70.2 | 88.7 | -0.2 | 113.2 | D317 S324 T352 D357 | D317-R355 IonicContact OD1-CZ 3.75Å; D317-R355 IonicContact OD1-NH1 3.85Å; D317-R355 PolarHBondContact OD1-NH1 3.45Å; D317-R355 IonicContact OD1-NH2 3.53Å; D317-R355 PolarHBondContact OD1-NH2 3.29Å; D317-R355 IonicContact OD2-CZ 2.63Å; D317-R355 IonicContact OD2-NH1 2.69Å; D317-R355 PolarHBondContact OD2-NH1 2.94Å; D317-R355 IonicContact OD2-NH2 2.94Å; S324-R355 WeakPolarHBondContact OG-CD 3.5Å; S324-R355 PolarHBondContact OG-NH1 3.22Å; T352-R355 VanDerWaalsContact CB-O 3.22Å; T352-R355 WeakPolarHBondContact CB-O 3.5Å; T352-R355 PolarHBondContact OG1-N 3.18Å; T352-R355 PolarHBondContact OG1-O 3.33Å; R355-D357 WeakPolarHBondContact CB-OD1 3.44Å; R355-D357 WeakPolarHBondContact CD-OD1 3.45Å; R355-D357 IonicContact CZ-OD2 3.03Å; R355-D357 VanDerWaalsContact NE-CG 3.35Å; R355-D357 IonicContact NE-OD1 3.65Å; R355-D357 PolarHBondContact NE-OD1 2.97Å; R355-D357 VanDerWaalsContact NE-OD1 3.13Å; R355-D357 IonicContact NE-OD2 2.93Å; R355-D357 PolarHBondContact NE-OD2 3.48Å; R355-D357 IonicContact NH2-OD2 3.56Å; R355-D357 PolarHBondContact NH2-OD2 2.88Å | ||
| 356 | S | 91.6 | Very high | 92.9 | Very high | 119 Ų | 119 | 55.4 Ų | 55.4 | 83% | 0.832 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -115.2 | -7.4 | 177.1 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | L358 | S356-L358 PolarHBondContact O-N 3.29Š|
| 357 | D | 93.9 | Very high | 92.3 | Very high | 56 Ų | 56 | 56.2 Ų | 56.2 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | trans | -80.2 | 37.6 | -180 | 59 | -2.5 | 0 | 0 | 0 | 113 | R355 Q359 N443 A444 | R355-D357 WeakPolarHBondContact CB-OD1 3.44Å; R355-D357 WeakPolarHBondContact CD-OD1 3.45Å; R355-D357 IonicContact CZ-OD2 3.03Å; R355-D357 VanDerWaalsContact NE-CG 3.35Å; R355-D357 IonicContact NE-OD1 3.65Å; R355-D357 PolarHBondContact NE-OD1 2.97Å; R355-D357 VanDerWaalsContact NE-OD1 3.13Å; R355-D357 IonicContact NE-OD2 2.93Å; R355-D357 PolarHBondContact NE-OD2 3.48Å; R355-D357 IonicContact NH2-OD2 3.56Å; R355-D357 PolarHBondContact NH2-OD2 2.88Å; D357-Q359 PolarHBondContact O-N 3.35Å; D357-N443 WeakPolarHBondContact OD1-CB 3.21Å; D357-A444 WeakPolarHBondContact OD2-CB 3.35Å | ||
| 358 | L | 94.1 | Very high | 91.3 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | trans | -66.7 | 131.9 | -178.4 | -68.7 | 172.8 | 0 | 0 | 0 | 111.6 | P327 T352 S356 T442 N443 | P327-L358 HydrophobicContact CB-CD2 3.77Å; P327-L358 HydrophobicContact CG-CD2 3.98Å; T352-L358 HydrophobicContact CG2-CD1 3.79Å; S356-L358 PolarHBondContact O-N 3.29Å; L358-T442 WeakPolarHBondContact CA-O 3.33Å; L358-N443 HydrophobicContact CD2-CB 4.38Å | ||
| 359 | Q | 95.3 | Very high | 90 | Very high | 94 Ų | 94 | 50.3 Ų | 50.3 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.3 | 169.5 | -62.2 | -173.5 | 18.2 | 0 | 0 | 110.1 | D357 L419 T442 | D357-Q359 PolarHBondContact O-N 3.35Å; Q359-L419 CarbonylContact C-O 3.46Å; Q359-L419 WeakPolarHBondContact CA-O 3.25Å; Q359-T442 PolarHBondContact N-O 2.79Å; Q359-T442 PolarHBondContact O-N 2.94Å; Q359-T442 PolarHBondContact O-OG1 2.83Å |
| 360 | Y | 95.1 | Very high | 88.1 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 148.1 | 177.7 | -52.1 | -78 | 0 | 0 | 0 | 111.3 | P330 W346 G418 L419 L440 A441 | P330-Y360 HydrophobicContact CG-CD1 4.18Å; P330-Y360 HydrophobicContact CG-CE1 4.22Å; W346-Y360 AromaticContact CE2-CG 3.92Å; W346-Y360 HydrophobicContact CZ2-CD2 4.07Å; W346-Y360 AromaticContact CZ2-CG 3.84Å; W346-Y360 HydrophobicContact CZ2-CG 3.84Å; W346-Y360 AromaticContact NE1-CD1 3.34Å; W346-Y360 VanDerWaalsContact NE1-CD1 3.34Å; W346-Y360 AromaticContact NE1-CD2 3.67Å; W346-Y360 AromaticContact NE1-CE1 3.54Å; W346-Y360 AromaticContact NE1-CE2 3.87Å; W346-Y360 AromaticContact NE1-CG 3.42Å; W346-Y360 AromaticContact NE1-CZ 3.82Å; Y360-G418 PolarHBondContact O-N 3.44Å; Y360-G418 VanDerWaalsContact O-N 3.14Å; Y360-L419 WeakPolarHBondContact CD2-O 3.49Å; Y360-L419 PolarHBondContact N-O 3.28Å; Y360-L419 PolarHBondContact O-N 3.3Å; Y360-L440 VanDerWaalsContact CA-O 3.25Å; Y360-L440 WeakPolarHBondContact CA-O 3.4Å; Y360-A441 HydrophobicContact CD1-CB 3.99Å; Y360-A441 HydrophobicContact CE1-CB 3.89Å |
| 361 | S | 94.4 | Very high | 86.6 | Confident | 29 Ų | 29 | 52.9 Ų | 52.9 | 20% | 0.203 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 139.3 | 173 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | Q416 S417 L440 | S361-Q416 WeakPolarHBondContact CA-O 3.28Å; S361-S417 WeakPolarHBondContact OG-CA 3.42Å; S361-S417 VanDerWaalsContact OG-CB 3.31Å; S361-S417 WeakPolarHBondContact OG-CB 3.36Å; S361-L440 PolarHBondContact N-O 3.39Å; S361-L440 PolarHBondContact O-N 2.95Å |
| 362 | I | 93.9 | Very high | 85.6 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 123.8 | -177.7 | -61.9 | 87 | 0 | 0 | 0 | 110.2 | W346 F412 Q416 L419 V424 F437 R438 I439 | W346-I362 HydrophobicContact CH2-CD1 3.91Å; W346-I362 HydrophobicContact CH2-CG1 4.49Å; I362-F412 HydrophobicContact CB-CE1 4.33Å; I362-F412 HydrophobicContact CG2-CE1 4Å; I362-Q416 PolarHBondContact N-O 3.14Å; I362-Q416 WeakPolarHBondContact O-CG 3.38Å; I362-Q416 PolarHBondContact O-NE2 2.03Å; I362-L419 HydrophobicContact CD1-CD1 3.2Å; I362-V424 HydrophobicContact CD1-CB 4.33Å; I362-V424 HydrophobicContact CD1-CG1 3.88Å; I362-V424 HydrophobicContact CG1-CG1 4.08Å; I362-F437 HydrophobicContact CG2-CB 4.28Å; I362-F437 HydrophobicContact CG2-CD1 3.69Å; I362-F437 HydrophobicContact CG2-CG 4.48Å; I362-R438 WeakPolarHBondContact CA-O 3.26Å; I362-I439 HydrophobicContact CG1-CG1 4.19Å; I362-I439 HydrophobicContact CG1-CG2 4.48Å |
| 363 | L | 91.9 | Very high | 85 | Confident | 85 Ų | 85 | 57 Ų | 57 | 45% | 0.445 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 132.5 | 166.1 | -56 | 177.3 | 0 | 0 | 0 | 108.7 | F437 R438 L440 | L363-F437 CarbonylContact O-C 3.52Å; L363-F437 WeakPolarHBondContact O-CA 3.13Å; L363-R438 HydrophobicContact CB-CB 4.31Å; L363-R438 PolarHBondContact N-O 3.28Å; L363-R438 PolarHBondContact O-N 2.63Å; L363-L440 HydrophobicContact CD1-CD1 3.76Å; L363-L440 HydrophobicContact CG-CD1 3.71Å |
| 364 | C | 91.5 | Very high | 84.6 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 5% | 0.047 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.3 | 179.9 | 176.1 | 0 | 0 | 0 | 0 | 109 | C376 F412 F437 | C364-C376 HydrophobicContact CB-CB 3.63Å; C364-C376 WeakPolarHBondContact CB-SG 3.25Å; C364-C376 PolarHBondContact O-N 3.11Å; C364-C376 PolarHBondContact O-SG 2.66Å; C364-C376 WeakPolarHBondContact SG-CB 3.35Å; C364-C376 CovalentContact SG-SG 2.04Å; C364-C376 PolarHBondContact SG-SG 2.72Å; C364-F412 HydrophobicContact CB-CZ 3.83Å; C364-F437 HydrophobicContact CB-CD1 3.85Å; C364-F437 HydrophobicContact CB-CE1 3.6Å; C364-F437 HydrophobicContact CB-CZ 4.41Å; C364-F437 WeakPolarHBondContact SG-CE1 3.02Å; C364-F437 VanDerWaalsContact SG-CZ 3.57Å |
| 365 | Q | 90.3 | Very high | 84.3 | Confident | 32 Ų | 32 | 62.2 Ų | 62.2 | 15% | 0.15 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135.4 | 175.1 | -46 | -162.3 | -75.2 | 0 | 0 | 109.6 | C373 E374 D375 C376 Y435 S436 | Q365-C373 HydrophobicContact CB-CB 4Å; Q365-E374 CarbonylContact C-O 3.56Å; Q365-E374 VanDerWaalsContact CA-O 3.29Å; Q365-E374 WeakPolarHBondContact CA-O 3.39Å; Q365-D375 PolarHBondContact NE2-OD1 3.13Å; Q365-C376 PolarHBondContact N-SG 3.07Å; Q365-C376 VanDerWaalsContact N-SG 3.43Å; Q365-Y435 CarbonylContact O-C 3.51Å; Q365-Y435 VanDerWaalsContact O-CA 3.32Å; Q365-Y435 WeakPolarHBondContact O-CA 3.02Å; Q365-S436 PolarHBondContact N-O 3.42Å; Q365-S436 PolarHBondContact O-N 2.85Å |
| 366 | R | 88.4 | Confident | 83.6 | Confident | 76 Ų | 76 | 61.4 Ų | 61.4 | 29% | 0.287 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.4 | 175.3 | -176.5 | -176.4 | 66.6 | 161.7 | -0.7 | 108.8 | C373 E374 T433 Y435 | R366-C373 CarbonylContact O-C 3.45Å; R366-C373 VanDerWaalsContact O-CA 3.24Å; R366-C373 WeakPolarHBondContact O-CA 3.37Å; R366-E374 IonicContact CZ-OE2 3.45Å; R366-E374 PolarHBondContact N-O 3.25Å; R366-E374 IonicContact NE-OE2 3.66Å; R366-E374 IonicContact NH2-OE2 2.71Å; R366-E374 PolarHBondContact NH2-OE2 2.78Å; R366-E374 PolarHBondContact O-N 2.93Å; R366-T433 HydrophobicContact CG-CG2 3.68Å; R366-Y435 HydrophobicContact CB-CD1 4Å; R366-Y435 HydrophobicContact CB-CE1 3.72Å; R366-Y435 HydrophobicContact CG-CD1 4.32Å; R366-Y435 HydrophobicContact CG-CE1 3.82Å |
| 367 | C | 83.2 | Confident | 82.3 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 16% | 0.162 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.3 | -177.8 | -53.2 | 0 | 0 | 0 | 0 | 110.2 | C373 N434 | C367-C373 HydrophobicContact CB-CB 4.07Å; C367-C373 WeakPolarHBondContact CB-SG 3.29Å; C367-C373 WeakPolarHBondContact SG-CB 3.29Å; C367-C373 CovalentContact SG-SG 2.04Å; C367-C373 PolarHBondContact SG-SG 2.95Å; C367-N434 HydrophobicContact CB-CB 4.43Å; C367-N434 PolarHBondContact N-O 3.42Å |
| 368 | S | 71.8 | Confident | 80.1 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 52% | 0.524 | 37% | 0.369 | S | S | . | . | trans | -116.2 | 89.5 | -177.9 | -65.2 | 0 | 0 | 0 | 0 | 110.6 | G371 | S368-G371 PolarHBondContact O-N 3.02Š| ||
| 369 | G | 67.1 | Low | 77.3 | Confident | 66 Ų | 66 | 65.1 Ų | 65.1 | 68% | 0.68 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | -139.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G371 | G369-G371 PolarHBondContact O-N 2.89Å; G369-G371 VanDerWaalsContact O-N 3.14Å |
| 370 | D | 54.8 | Low | 74.4 | Confident | 186 Ų | 186 | 66.8 Ų | 66.8 | 100% | 0.995 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | 7.4 | 177.2 | -72.3 | -28.8 | 0 | 0 | 0 | 114.3 | ||
| 371 | G | 61.7 | Low | 71.5 | Confident | 33 Ų | 33 | 70.1 Ų | 70.1 | 34% | 0.34 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -82.2 | 158.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S368 G369 | S368-G371 PolarHBondContact O-N 3.02Å; G369-G371 PolarHBondContact O-N 2.89Å; G369-G371 VanDerWaalsContact O-N 3.14Å |
| 372 | P | 70.9 | Confident | 68.3 | Low | 123 Ų | 123 | 72.7 Ų | 72.7 | 80% | 0.799 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 141.2 | 172.1 | 28.2 | -34.6 | 0 | 0 | 0 | 111 | ||
| 373 | C | 79.9 | Confident | 65.2 | Low | 56 Ų | 56 | 78.1 Ų | 78.1 | 38% | 0.378 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 135.8 | 177.5 | -51 | 0 | 0 | 0 | 0 | 111.3 | Q365 R366 C367 | Q365-C373 HydrophobicContact CB-CB 4Å; R366-C373 CarbonylContact O-C 3.45Å; R366-C373 VanDerWaalsContact O-CA 3.24Å; R366-C373 WeakPolarHBondContact O-CA 3.37Å; C367-C373 HydrophobicContact CB-CB 4.07Å; C367-C373 WeakPolarHBondContact CB-SG 3.29Å; C367-C373 WeakPolarHBondContact SG-CB 3.29Å; C367-C373 CovalentContact SG-SG 2.04Å; C367-C373 PolarHBondContact SG-SG 2.95Å |
| 374 | E | 83.9 | Confident | 62.3 | Low | 95 Ų | 95 | 79.8 Ų | 79.8 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 147.7 | 177.9 | -60.9 | 175.1 | 142.4 | 0 | 0 | 110.4 | Q365 R366 | Q365-E374 CarbonylContact C-O 3.56Å; Q365-E374 VanDerWaalsContact CA-O 3.29Å; Q365-E374 WeakPolarHBondContact CA-O 3.39Å; R366-E374 IonicContact CZ-OE2 3.45Å; R366-E374 PolarHBondContact N-O 3.25Å; R366-E374 IonicContact NE-OE2 3.66Å; R366-E374 IonicContact NH2-OE2 2.71Å; R366-E374 PolarHBondContact NH2-OE2 2.78Å; R366-E374 PolarHBondContact O-N 2.93Å |
| 375 | D | 83.4 | Confident | 59.3 | Low | 88 Ų | 88 | 83.6 Ų | 83.6 | 47% | 0.471 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.2 | 138.1 | 174.6 | -72.6 | -19.9 | 0 | 0 | 0 | 111.3 | Q365 T377 A378 | Q365-D375 PolarHBondContact NE2-OD1 3.13Å; D375-T377 PolarHBondContact O-N 3.21Å; D375-A378 WeakPolarHBondContact O-CB 3.43Å; D375-A378 PolarHBondContact O-N 2.84Å |
| 376 | C | 78.1 | Confident | 56.4 | Low | 24 Ų | 24 | 85.7 Ų | 85.7 | 16% | 0.162 | 61% | 0.614 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -63.7 | -9.1 | -172.8 | -61.4 | 0 | 0 | 0 | 0 | 115.4 | C364 Q365 V410 Y435 | C364-C376 HydrophobicContact CB-CB 3.63Å; C364-C376 WeakPolarHBondContact CB-SG 3.25Å; C364-C376 PolarHBondContact O-N 3.11Å; C364-C376 PolarHBondContact O-SG 2.66Å; C364-C376 WeakPolarHBondContact SG-CB 3.35Å; C364-C376 CovalentContact SG-SG 2.04Å; C364-C376 PolarHBondContact SG-SG 2.72Å; Q365-C376 PolarHBondContact N-SG 3.07Å; Q365-C376 VanDerWaalsContact N-SG 3.43Å; C376-V410 HydrophobicContact CB-CB 4.46Å; C376-V410 HydrophobicContact CB-CG2 4.17Å; C376-Y435 VanDerWaalsContact SG-CD1 3.6Å |
| 377 | T | 64.9 | Low | 53.5 | Low | 106 Ų | 106 | 91.8 Ų | 91.8 | 65% | 0.65 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -8.6 | 176.6 | 50.7 | 0 | 0 | 0 | 0 | 113.2 | D375 S379 | D375-T377 PolarHBondContact O-N 3.21Å; T377-S379 PolarHBondContact O-N 3.04Å |
| 378 | A | 46.7 | Very low | 51.2 | Low | 58 Ų | 58 | 98 Ų | 98 | 48% | 0.479 | 68% | 0.679 | S | S | . | * | trans | -78.7 | 103.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | D375 | D375-A378 WeakPolarHBondContact O-CB 3.43Å; D375-A378 PolarHBondContact O-N 2.84Å | ||
| 379 | S | 37 | Very low | 49.2 | Very low | 104 Ų | 104 | 98.3 Ų | 98.3 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | trans | -65.8 | 139.9 | 162.2 | -68.1 | 0 | 0 | 0 | 0 | 109.9 | T377 G381 | T377-S379 PolarHBondContact O-N 3.04Å; S379-G381 PolarHBondContact O-N 2.85Å | ||
| 380 | P | 34.3 | Very low | 47.3 | Very low | 130 Ų | 130 | 99.2 Ų | 99.2 | 84% | 0.844 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -72.3 | 92.8 | 178.7 | 29.1 | -34.2 | 0 | 0 | 0 | 110.9 | ||
| 381 | G | 33.2 | Very low | 46 | Very low | 75 Ų | 75 | 94 Ų | 94 | 77% | 0.773 | 69% | 0.694 | S | S | * | * | trans | 154.9 | 92.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S379 | S379-G381 PolarHBondContact O-N 2.85Š| ||
| 382 | G | 27.6 | Very low | 44.4 | Very low | 82 Ų | 82 | 96.8 Ų | 96.8 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | trans | 157.3 | 72 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 383 | S | 28.7 | Very low | 42.4 | Very low | 116 Ų | 116 | 95.7 Ų | 95.7 | 81% | 0.811 | 71% | 0.709 | S | S | * | * | trans | -79 | 139.2 | 172.1 | -72.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 384 | S | 30.6 | Very low | 40 | Very low | 120 Ų | 120 | 101.1 Ų | 101.1 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | trans | 59.9 | 109.6 | 156.3 | 61 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 385 | G | 29.1 | Very low | 37.2 | Very low | 87 Ų | 87 | 99.5 Ų | 99.5 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | 122.8 | 117.2 | 111.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 386 | G | 28.5 | Very low | 34.6 | Very low | 76 Ų | 76 | 104.2 Ų | 104.2 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | 125.8 | 99.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 387 | K | 28.5 | Very low | 32.2 | Very low | 204 Ų | 204 | 106.8 Ų | 106.8 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 47.7 | 114.1 | 140.9 | -68.3 | -178.8 | 174.3 | 179.9 | 0 | 121.2 | ||||
| 388 | V | 34.2 | Very low | 30.5 | Very low | 153 Ų | 153 | 105.9 Ų | 105.9 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | 24.7 | 119.1 | 123.1 | -172.7 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 389 | G | 31.4 | Very low | 29.6 | Very low | 82 Ų | 82 | 107.3 Ų | 107.3 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | 156.9 | 102.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 390 | G | 26.7 | Very low | 29.2 | Very low | 86 Ų | 86 | 105.8 Ų | 105.8 | 89% | 0.887 | 83% | 0.829 | S | S | * | * | trans | -163 | 102.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 391 | G | 26.9 | Very low | 29.2 | Very low | 75 Ų | 75 | 107.5 Ų | 107.5 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | -111.4 | 163.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 392 | A | 27.8 | Very low | 29.3 | Very low | 92 Ų | 92 | 109.9 Ų | 109.9 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | 59.3 | 92.9 | 159.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 393 | S | 28.6 | Very low | 29.4 | Very low | 101 Ų | 101 | 115 Ų | 115 | 71% | 0.706 | 83% | 0.831 | S | S | * | * | 69.3 | 143.2 | 111.5 | 76.8 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 394 | I | 29.3 | Very low | 29.6 | Very low | 169 Ų | 169 | 120.3 Ų | 120.3 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | 85.3 | 123.8 | 156.7 | -56 | 168.7 | 0 | 0 | 0 | 118.6 | ||||
| 395 | G | 26.5 | Very low | 29.9 | Very low | 61 Ų | 61 | 121.1 Ų | 121.1 | 63% | 0.629 | 84% | 0.839 | S | S | * | * | 120.4 | 99.2 | 125.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 396 | L | 28.8 | Very low | 30.4 | Very low | 187 Ų | 187 | 120 Ų | 120 | 98% | 0.979 | 83% | 0.826 | S | S | * | * | trans | 32.4 | 132.3 | 133.4 | -71.1 | 157 | 0 | 0 | 0 | 121.5 | ||||
| 397 | G | 26.5 | Very low | 31.5 | Very low | 79 Ų | 79 | 120.9 Ų | 120.9 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | 151.4 | 113.7 | 151.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 398 | G | 29.6 | Very low | 33 | Very low | 86 Ų | 86 | 114.2 Ų | 114.2 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -92.1 | 165.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 399 | G | 28.8 | Very low | 35 | Very low | 88 Ų | 88 | 110.8 Ų | 110.8 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | 128.8 | 125.6 | 159.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 400 | G | 27.9 | Very low | 37.6 | Very low | 73 Ų | 73 | 108.2 Ų | 108.2 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | 124.3 | 72.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | V402 | G400-V402 PolarHBondContact O-N 3.1Š| ||
| 401 | I | 35.1 | Very low | 40.6 | Very low | 166 Ų | 166 | 111.6 Ų | 111.6 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | trans | -70.7 | 112.1 | 160 | -64.7 | 173.1 | 0 | 0 | 0 | 107.2 | E403 | I401-E403 HydrophobicContact CG2-CG 4.27Š| ||
| 402 | V | 33.5 | Very low | 43.7 | Very low | 124 Ų | 124 | 108.9 Ų | 108.9 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | trans | -108.5 | 102.8 | 163 | 179.9 | 0 | 0 | 0 | 0 | 106.8 | G400 R404 | G400-V402 PolarHBondContact O-N 3.1Å; V402-R404 VanDerWaalsContact C-N 3.31Å; V402-R404 PolarHBondContact O-N 3.24Å | ||
| 403 | E | 31.7 | Very low | 46.6 | Very low | 190 Ų | 190 | 108 Ų | 108 | 89% | 0.888 | 69% | 0.694 | S | S | * | * | trans | -65.7 | 93.5 | 168.9 | -80.2 | -168.3 | 132.3 | 0 | 0 | 109.3 | I401 | I401-E403 HydrophobicContact CG2-CG 4.27Š| ||
| 404 | R | 31.1 | Very low | 49.6 | Very low | 228 Ų | 228 | 107.1 Ų | 107.1 | 86% | 0.86 | 69% | 0.686 | S | S | * | * | trans | -94.7 | 110.8 | 168.8 | -144.7 | 176.8 | -170.7 | -177.3 | 1.9 | 107.5 | V402 G406 | V402-R404 VanDerWaalsContact C-N 3.31Å; V402-R404 PolarHBondContact O-N 3.24Å; R404-G406 PolarHBondContact O-N 3.39Å | ||
| 405 | S | 38.5 | Very low | 52.5 | Low | 137 Ų | 137 | 105.8 Ų | 105.8 | 96% | 0.958 | 67% | 0.67 | S | S | * | * | trans | -55.4 | 106.9 | 177.5 | -173.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 406 | G | 37.7 | Very low | 55.6 | Low | 62 Ų | 62 | 106 Ų | 106 | 64% | 0.639 | 66% | 0.655 | S | S | * | * | trans | -152.6 | 146.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | R404 A408 | R404-G406 PolarHBondContact O-N 3.39Å; G406-A408 PolarHBondContact O-N 3.13Å | ||
| 407 | S | 52.1 | Low | 58.6 | Low | 96 Ų | 96 | 100.6 Ų | 100.6 | 67% | 0.671 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 131.1 | -178.5 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | A409 | S407-A409 PolarHBondContact O-N 2.9Š|
| 408 | A | 59.8 | Low | 61.7 | Low | 64 Ų | 64 | 97.6 Ų | 97.6 | 53% | 0.529 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 129.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G406 N428 | G406-A408 PolarHBondContact O-N 3.13Å; A408-N428 HydrophobicContact CB-CB 4.09Å |
| 409 | A | 75.8 | Confident | 64.7 | Low | 81 Ų | 81 | 93.6 Ų | 93.6 | 67% | 0.669 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -62 | 141.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S407 R411 N428 | S407-A409 PolarHBondContact O-N 2.9Å; A409-R411 PolarHBondContact O-N 2.85Å; A409-N428 WeakPolarHBondContact O-CB 3.05Å; A409-N428 PolarHBondContact O-ND2 3.26Å |
| 410 | V | 86.6 | Confident | 67.7 | Low | 27 Ų | 27 | 94.1 Ų | 94.1 | 16% | 0.164 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 126.9 | 176.3 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | C376 F412 V426 L427 L429 | C376-V410 HydrophobicContact CB-CB 4.46Å; C376-V410 HydrophobicContact CB-CG2 4.17Å; V410-F412 HydrophobicContact CG1-CE2 4.14Å; V410-F412 HydrophobicContact CG1-CZ 4.27Å; V410-V426 HydrophobicContact CG1-CG1 3.49Å; V410-V426 VanDerWaalsContact CG1-CG1 3.49Å; V410-L427 WeakPolarHBondContact CA-O 3.38Å; V410-L429 HydrophobicContact CG1-CD2 3.72Å; V410-L429 HydrophobicContact CG2-CD2 3.97Å |
| 411 | R | 89.3 | Confident | 70.8 | Confident | 157 Ų | 157 | 96.8 Ų | 96.8 | 59% | 0.592 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.9 | -172.6 | -177.2 | 177.4 | -179.3 | 172.9 | 1.1 | 111.2 | A409 I413 V426 L427 | A409-R411 PolarHBondContact O-N 2.85Å; R411-I413 HydrophobicContact CG-CG1 4.43Å; R411-V426 CarbonylContact O-C 3.55Å; R411-V426 WeakPolarHBondContact O-CA 3.31Å; R411-L427 HydrophobicContact CB-CB 4.44Å; R411-L427 PolarHBondContact N-O 2.92Å; R411-L427 PolarHBondContact O-N 3.03Å |
| 412 | F | 92.2 | Very high | 73.6 | Confident | 19 Ų | 19 | 91 Ų | 91 | 8% | 0.083 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 133.7 | 175.6 | -59.5 | -96.6 | 0 | 0 | 0 | 110.1 | I362 C364 V410 Q416 V424 V426 F437 | I362-F412 HydrophobicContact CB-CE1 4.33Å; I362-F412 HydrophobicContact CG2-CE1 4Å; C364-F412 HydrophobicContact CB-CZ 3.83Å; V410-F412 HydrophobicContact CG1-CE2 4.14Å; V410-F412 HydrophobicContact CG1-CZ 4.27Å; F412-Q416 HydrophobicContact CB-CB 3.99Å; F412-Q416 HydrophobicContact CD1-CB 4.31Å; F412-Q416 HydrophobicContact CD1-CG 4.11Å; F412-Q416 HydrophobicContact CD2-CB 3.7Å; F412-Q416 HydrophobicContact CD2-CG 3.76Å; F412-Q416 HydrophobicContact CE1-CG 4.16Å; F412-Q416 HydrophobicContact CE2-CB 4.28Å; F412-Q416 VanDerWaalsContact CE2-CD 3.49Å; F412-Q416 HydrophobicContact CE2-CG 3.82Å; F412-Q416 HydrophobicContact CG-CB 3.73Å; F412-Q416 HydrophobicContact CG-CG 3.92Å; F412-Q416 HydrophobicContact CZ-CG 4.03Å; F412-V424 HydrophobicContact CB-CG2 4.12Å; F412-V424 HydrophobicContact CD1-CG2 4.25Å; F412-V426 HydrophobicContact CD1-CG1 4.31Å; F412-V426 HydrophobicContact CD1-CG2 3.79Å; F412-V426 HydrophobicContact CE1-CG1 4.03Å; F412-V426 HydrophobicContact CE1-CG2 3.79Å; F412-V426 HydrophobicContact CZ-CG1 4.33Å; F412-F437 HydrophobicContact CE1-CE1 4.21Å |
| 413 | I | 90.1 | Very high | 76.4 | Confident | 73 Ų | 73 | 90.2 Ų | 90.2 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124 | 176 | -59.2 | -173.6 | 0 | 0 | 0 | 108.2 | R411 V424 T425 L427 | R411-I413 HydrophobicContact CG-CG1 4.43Å; I413-V424 WeakPolarHBondContact O-CG2 3.48Å; I413-T425 PolarHBondContact N-O 2.93Å; I413-T425 PolarHBondContact O-N 2.84Å; I413-L427 HydrophobicContact CD1-CD1 3.55Å; I413-L427 HydrophobicContact CD1-CG 4.42Å; I413-L427 HydrophobicContact CG1-CD1 4.37Å |
| 414 | P | 90.3 | Very high | 79.4 | Confident | 82 Ų | 82 | 81.2 Ų | 81.2 | 53% | 0.532 | 45% | 0.454 | S | S | . | . | S | Bend | cis | -77.9 | -28.8 | 6.5 | 29.1 | -33.5 | 0 | 0 | 0 | 114.6 | L419 | P414-L419 HydrophobicContact CG-CD2 3.66Š|
| 415 | R | 90.9 | Very high | 82.4 | Confident | 141 Ų | 141 | 71.8 Ų | 71.8 | 53% | 0.532 | 42% | 0.422 | S | S | . | . | trans | -160.8 | 170.3 | 179.9 | 55 | -174.8 | 127 | 176.6 | 1.3 | 110.9 | S417 L419 V424 | R415-S417 WeakPolarHBondContact CD-O 3.11Å; R415-S417 WeakPolarHBondContact CG-O 3.11Å; R415-L419 HydrophobicContact CG-CD2 3.57Å; R415-L419 HydrophobicContact CG-CG 4Å; R415-V424 WeakPolarHBondContact O-CG2 3.26Å | ||
| 416 | Q | 91.3 | Very high | 85 | Confident | 67 Ų | 67 | 65.2 Ų | 65.2 | 31% | 0.313 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -90.1 | -34.7 | -179 | -172.6 | 178.9 | -7.2 | 0 | 0 | 113.7 | S361 I362 F412 | S361-Q416 WeakPolarHBondContact CA-O 3.28Å; I362-Q416 PolarHBondContact N-O 3.14Å; I362-Q416 WeakPolarHBondContact O-CG 3.38Å; I362-Q416 PolarHBondContact O-NE2 2.03Å; F412-Q416 HydrophobicContact CB-CB 3.99Å; F412-Q416 HydrophobicContact CD1-CB 4.31Å; F412-Q416 HydrophobicContact CD1-CG 4.11Å; F412-Q416 HydrophobicContact CD2-CB 3.7Å; F412-Q416 HydrophobicContact CD2-CG 3.76Å; F412-Q416 HydrophobicContact CE1-CG 4.16Å; F412-Q416 HydrophobicContact CE2-CB 4.28Å; F412-Q416 VanDerWaalsContact CE2-CD 3.49Å; F412-Q416 HydrophobicContact CE2-CG 3.82Å; F412-Q416 HydrophobicContact CG-CB 3.73Å; F412-Q416 HydrophobicContact CG-CG 3.92Å; F412-Q416 HydrophobicContact CZ-CG 4.03Å |
| 417 | S | 92.3 | Very high | 87.5 | Confident | 73 Ų | 73 | 64.6 Ų | 64.6 | 51% | 0.51 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -132.1 | 159.3 | -178 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | S361 R415 L419 | S361-S417 WeakPolarHBondContact OG-CA 3.42Å; S361-S417 VanDerWaalsContact OG-CB 3.31Å; S361-S417 WeakPolarHBondContact OG-CB 3.36Å; R415-S417 WeakPolarHBondContact CD-O 3.11Å; R415-S417 WeakPolarHBondContact CG-O 3.11Å; S417-L419 VanDerWaalsContact C-N 3.34Å |
| 418 | G | 90.9 | Very high | 89.1 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 17% | 0.165 | 34% | 0.344 | C | S | . | . | S | Bend | trans | 66.9 | 35.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113 | Y360 | Y360-G418 PolarHBondContact O-N 3.44Å; Y360-G418 VanDerWaalsContact O-N 3.14Å |
| 419 | L | 93.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -82.8 | 129.6 | 175.9 | -72 | 163 | 0 | 0 | 0 | 110.5 | W346 Q359 Y360 I362 P414 R415 S417 V424 | W346-L419 HydrophobicContact CH2-CD1 4.28Å; Q359-L419 CarbonylContact C-O 3.46Å; Q359-L419 WeakPolarHBondContact CA-O 3.25Å; Y360-L419 WeakPolarHBondContact CD2-O 3.49Å; Y360-L419 PolarHBondContact N-O 3.28Å; Y360-L419 PolarHBondContact O-N 3.3Å; I362-L419 HydrophobicContact CD1-CD1 3.2Å; P414-L419 HydrophobicContact CG-CD2 3.66Å; R415-L419 HydrophobicContact CG-CD2 3.57Å; R415-L419 HydrophobicContact CG-CG 4Å; S417-L419 VanDerWaalsContact C-N 3.34Å; L419-V424 HydrophobicContact CD1-CB 4.18Å; L419-V424 HydrophobicContact CD1-CG2 4.27Å |
| 420 | T | 92.3 | Very high | 90.8 | Very high | 99 Ų | 99 | 59.3 Ų | 59.3 | 61% | 0.607 | 30% | 0.304 | S | S | * | . | trans | -95.1 | -24.9 | 172.2 | 49.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 421 | E | 92.2 | Very high | 90.5 | Very high | 128 Ų | 128 | 58.4 Ų | 58.4 | 60% | 0.598 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -85.8 | 144.6 | 173.7 | -67.6 | 174.6 | -163.3 | 0 | 0 | 110.5 | R423 | E421-R423 PolarHBondContact O-N 3.46Å; E421-R423 VanDerWaalsContact O-N 3.12Å |
| 422 | S | 93 | Very high | 90.2 | Very high | 45 Ų | 45 | 55.5 Ų | 55.5 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -88.2 | 40.1 | -179.7 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | E345 W346 | E345-S422 WeakPolarHBondContact CA-O 3.27Å; W346-S422 VanDerWaalsContact CE2-CA 3.46Å; W346-S422 PolarHBondContact N-O 3.02Å; W346-S422 WeakPolarHBondContact O-CB 3.23Å; W346-S422 PolarHBondContact O-OG 3.39Å |
| 423 | R | 94 | Very high | 89.8 | Confident | 108 Ų | 108 | 55.8 Ų | 55.8 | 41% | 0.408 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 135.1 | -176.4 | -176.4 | 172.7 | -165.5 | -79.9 | -3.1 | 111.2 | V343 L344 E345 E421 | V343-R423 HydrophobicContact CG1-CG 4.46Å; V343-R423 VanDerWaalsContact CG1-NH2 3.35Å; L344-R423 CarbonylContact O-C 3.54Å; L344-R423 VanDerWaalsContact O-CA 3.32Å; L344-R423 WeakPolarHBondContact O-CA 3.41Å; E345-R423 HydrophobicContact CG-CB 4.1Å; E345-R423 HydrophobicContact CG-CG 3.68Å; E345-R423 WeakPolarHBondContact OE1-CD 3.19Å; E345-R423 IonicContact OE1-CZ 2.71Å; E345-R423 IonicContact OE1-NE 3.94Å; E345-R423 PolarHBondContact OE1-NE 3.02Å; E345-R423 IonicContact OE1-NH2 2.69Å; E421-R423 PolarHBondContact O-N 3.46Å; E421-R423 VanDerWaalsContact O-N 3.12Å |
| 424 | V | 95 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 141.8 | 169.4 | 74.3 | 0 | 0 | 0 | 0 | 111 | L344 W346 I362 F412 I413 R415 L419 V426 | L344-V424 HydrophobicContact CB-CG1 4.08Å; L344-V424 HydrophobicContact CD1-CG1 4.31Å; L344-V424 PolarHBondContact N-O 2.93Å; L344-V424 PolarHBondContact O-N 3.42Å; W346-V424 HydrophobicContact CH2-CB 4.3Å; W346-V424 HydrophobicContact CH2-CG1 4.19Å; W346-V424 HydrophobicContact CZ3-CB 4.48Å; W346-V424 HydrophobicContact CZ3-CG1 4.04Å; I362-V424 HydrophobicContact CD1-CB 4.33Å; I362-V424 HydrophobicContact CD1-CG1 3.88Å; I362-V424 HydrophobicContact CG1-CG1 4.08Å; F412-V424 HydrophobicContact CB-CG2 4.12Å; F412-V424 HydrophobicContact CD1-CG2 4.25Å; I413-V424 WeakPolarHBondContact O-CG2 3.48Å; R415-V424 WeakPolarHBondContact O-CG2 3.26Å; L419-V424 HydrophobicContact CD1-CB 4.18Å; L419-V424 HydrophobicContact CD1-CG2 4.27Å; V424-V426 HydrophobicContact CG1-CG2 4.32Å |
| 425 | T | 93.8 | Very high | 89.7 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.4 | 169.7 | -54.1 | 0 | 0 | 0 | 0 | 109.3 | V342 V343 I413 L427 | V342-T425 CarbonylContact O-C 3.38Å; V342-T425 WeakPolarHBondContact O-CA 3.03Å; V343-T425 HydrophobicContact CG2-CG2 4.25Å; I413-T425 PolarHBondContact N-O 2.93Å; I413-T425 PolarHBondContact O-N 2.84Å; T425-L427 HydrophobicContact CG2-CD2 3.76Å; T425-L427 HydrophobicContact CG2-CG 4.34Å |
| 426 | V | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 126.1 | 176.5 | -166.6 | 0 | 0 | 0 | 0 | 109 | S341 V342 L344 V410 R411 F412 V424 L429 F437 | S341-V426 CarbonylContact C-O 3.59Å; S341-V426 WeakPolarHBondContact CA-O 3.07Å; V342-V426 HydrophobicContact CB-CB 4.46Å; V342-V426 PolarHBondContact N-O 3.32Å; V342-V426 PolarHBondContact O-N 3.48Å; L344-V426 HydrophobicContact CD1-CG2 4.48Å; V410-V426 HydrophobicContact CG1-CG1 3.49Å; V410-V426 VanDerWaalsContact CG1-CG1 3.49Å; R411-V426 CarbonylContact O-C 3.55Å; R411-V426 WeakPolarHBondContact O-CA 3.31Å; F412-V426 HydrophobicContact CD1-CG1 4.31Å; F412-V426 HydrophobicContact CD1-CG2 3.79Å; F412-V426 HydrophobicContact CE1-CG1 4.03Å; F412-V426 HydrophobicContact CE1-CG2 3.79Å; F412-V426 HydrophobicContact CZ-CG1 4.33Å; V424-V426 HydrophobicContact CG1-CG2 4.32Å; V426-L429 HydrophobicContact CB-CD1 4.4Å; V426-L429 HydrophobicContact CG1-CD1 4.15Å; V426-L429 HydrophobicContact CG1-CD2 3.94Å; V426-L429 HydrophobicContact CG1-CG 4.14Å; V426-F437 HydrophobicContact CB-CE1 4.36Å; V426-F437 HydrophobicContact CB-CZ 4.43Å; V426-F437 HydrophobicContact CG1-CE1 3.98Å; V426-F437 HydrophobicContact CG1-CZ 4.08Å; V426-F437 HydrophobicContact CG2-CE1 3.85Å; V426-F437 HydrophobicContact CG2-CZ 4.3Å |
| 427 | L | 88.6 | Confident | 89.8 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 165.6 | -177.4 | -57.1 | -176.6 | 0 | 0 | 0 | 111.4 | V410 R411 I413 T425 L429 | V410-L427 WeakPolarHBondContact CA-O 3.38Å; R411-L427 HydrophobicContact CB-CB 4.44Å; R411-L427 PolarHBondContact N-O 2.92Å; R411-L427 PolarHBondContact O-N 3.03Å; I413-L427 HydrophobicContact CD1-CD1 3.55Å; I413-L427 HydrophobicContact CD1-CG 4.42Å; I413-L427 HydrophobicContact CG1-CD1 4.37Å; T425-L427 HydrophobicContact CG2-CD2 3.76Å; T425-L427 HydrophobicContact CG2-CG 4.34Å; L427-L429 VanDerWaalsContact C-N 3.32Å; L427-L429 PolarHBondContact O-N 3.38Å |
| 428 | N | 86.9 | Confident | 89.9 | Confident | 72 Ų | 72 | 42.9 Ų | 42.9 | 39% | 0.385 | 22% | 0.224 | S | C | . | . | trans | 63.2 | 30.3 | 177.5 | -51.6 | -24.5 | 0 | 0 | 0 | 114.4 | A408 A409 | A408-N428 HydrophobicContact CB-CB 4.09Å; A409-N428 WeakPolarHBondContact O-CB 3.05Å; A409-N428 PolarHBondContact O-ND2 3.26Å | ||
| 429 | L | 86.3 | Confident | 90.1 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 145.5 | 173 | -60.2 | 169.7 | 0 | 0 | 0 | 110.1 | T340 V342 V410 V426 L427 Y435 F437 T462 | T340-L429 WeakPolarHBondContact CB-O 3.27Å; T340-L429 WeakPolarHBondContact CG2-O 3.37Å; T340-L429 WeakPolarHBondContact O-CB 3.46Å; T340-L429 PolarHBondContact O-N 3.01Å; T340-L429 VanDerWaalsContact O-N 3.09Å; V342-L429 HydrophobicContact CB-CD1 3.99Å; V342-L429 HydrophobicContact CG2-CD1 3.4Å; V410-L429 HydrophobicContact CG1-CD2 3.72Å; V410-L429 HydrophobicContact CG2-CD2 3.97Å; V426-L429 HydrophobicContact CB-CD1 4.4Å; V426-L429 HydrophobicContact CG1-CD1 4.15Å; V426-L429 HydrophobicContact CG1-CD2 3.94Å; V426-L429 HydrophobicContact CG1-CG 4.14Å; L427-L429 VanDerWaalsContact C-N 3.32Å; L427-L429 PolarHBondContact O-N 3.38Å; L429-Y435 HydrophobicContact CB-CD2 4.5Å; L429-Y435 HydrophobicContact CB-CE2 3.87Å; L429-Y435 HydrophobicContact CD2-CD1 4.02Å; L429-Y435 HydrophobicContact CD2-CD2 4.33Å; L429-Y435 HydrophobicContact CD2-CE1 3.73Å; L429-Y435 HydrophobicContact CD2-CE2 4.07Å; L429-Y435 HydrophobicContact CD2-CG 4.3Å; L429-Y435 HydrophobicContact CG-CE2 4.45Å; L429-F437 HydrophobicContact CD1-CZ 4.21Å; L429-F437 HydrophobicContact CD2-CZ 4.19Å; L429-T462 HydrophobicContact CB-CG2 3.77Å; L429-T462 HydrophobicContact CD1-CG2 4.16Å |
| 430 | V | 84.1 | Confident | 90.1 | Very high | 54 Ų | 54 | 43.4 Ų | 43.4 | 33% | 0.327 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -67.4 | 135.5 | 176.4 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | T433 Y435 T462 | V430-T433 WeakPolarHBondContact CG1-OG1 3.29Å; V430-T433 WeakPolarHBondContact O-CB 3.31Å; V430-Y435 PolarHBondContact N-OH 3.47Å; V430-T462 WeakPolarHBondContact O-CB 3.47Å; V430-T462 PolarHBondContact O-OG1 3.45Å |
| 431 | A | 81.4 | Confident | 90.3 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 6% | 0.058 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 152.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | T340 T433 T462 N463 A465 N494 | T340-A431 HydrophobicContact CG2-CB 4.1Å; A431-T433 PolarHBondContact O-N 2.03Å; A431-T433 VanDerWaalsContact O-N 3.12Å; A431-T433 PolarHBondContact O-OG1 2.75Å; A431-T462 VanDerWaalsContact C-OG1 3.26Å; A431-T462 WeakPolarHBondContact CA-OG1 3.4Å; A431-N463 WeakPolarHBondContact CB-O 3.32Å; A431-A465 HydrophobicContact CB-CB 3.86Å; A431-N494 HydrophobicContact CB-CB 3.98Å |
| 432 | H | 82.7 | Confident | 90.4 | Very high | 96 Ų | 96 | 34.5 Ų | 34.5 | 44% | 0.444 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 36.4 | 180 | -160 | 42.3 | 0 | 0 | 0 | 115.4 | T462 N463 Q464 | H432-T462 WeakPolarHBondContact CA-O 3.25Å; H432-T462 PolarHBondContact N-O 2.77Å; H432-T462 PolarHBondContact N-OG1 2.86Å; H432-N463 PolarHBondContact N-O 2.83Å; H432-Q464 HydrophobicContact CB-CG 4.3Å |
| 433 | T | 84.3 | Confident | 90.4 | Very high | 25 Ų | 25 | 32.9 Ų | 32.9 | 15% | 0.153 | 17% | 0.166 | C | C | . | . | trans | -122.1 | 144.3 | -175.8 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | R366 V430 A431 Y435 T461 T462 | R366-T433 HydrophobicContact CG-CG2 3.68Å; V430-T433 WeakPolarHBondContact CG1-OG1 3.29Å; V430-T433 WeakPolarHBondContact O-CB 3.31Å; A431-T433 PolarHBondContact O-N 2.03Å; A431-T433 VanDerWaalsContact O-N 3.12Å; A431-T433 PolarHBondContact O-OG1 2.75Å; T433-Y435 HydrophobicContact CG2-CD2 4.33Å; T433-Y435 HydrophobicContact CG2-CE2 3.77Å; T433-T461 WeakPolarHBondContact O-CA 3.38Å; T433-T462 PolarHBondContact N-OG1 2.95Å; T433-T462 PolarHBondContact O-N 3.33Å; T433-T462 VanDerWaalsContact O-N 3.09Å; T433-T462 PolarHBondContact O-OG1 2.03Å | ||
| 434 | N | 87.6 | Confident | 90.4 | Very high | 74 Ų | 74 | 29.4 Ų | 29.4 | 40% | 0.396 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 133.7 | 176.5 | -69.8 | -12.9 | 0 | 0 | 0 | 111.2 | C367 I460 T461 | C367-N434 HydrophobicContact CB-CB 4.43Å; C367-N434 PolarHBondContact N-O 3.42Å; N434-I460 CarbonylContact C-O 3.59Å; N434-I460 WeakPolarHBondContact CA-O 3.31Å; N434-T461 WeakPolarHBondContact OD1-CB 3.43Å; N434-T461 VanDerWaalsContact OD1-CG2 3.29Å; N434-T461 WeakPolarHBondContact OD1-CG2 3.44Å; N434-T461 PolarHBondContact OD1-OG1 3.36Å |
| 435 | Y | 90 | Very high | 90.3 | Very high | 7 Ų | 7 | 29.4 Ų | 29.4 | 3% | 0.027 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 142.6 | 176 | -70.9 | -88.2 | 0 | 0 | 0 | 110.8 | Q365 R366 C376 L429 V430 T433 F437 N459 I460 T462 | Q365-Y435 CarbonylContact O-C 3.51Å; Q365-Y435 VanDerWaalsContact O-CA 3.32Å; Q365-Y435 WeakPolarHBondContact O-CA 3.02Å; R366-Y435 HydrophobicContact CB-CD1 4Å; R366-Y435 HydrophobicContact CB-CE1 3.72Å; R366-Y435 HydrophobicContact CG-CD1 4.32Å; R366-Y435 HydrophobicContact CG-CE1 3.82Å; C376-Y435 VanDerWaalsContact SG-CD1 3.6Å; L429-Y435 HydrophobicContact CB-CD2 4.5Å; L429-Y435 HydrophobicContact CB-CE2 3.87Å; L429-Y435 HydrophobicContact CD2-CD1 4.02Å; L429-Y435 HydrophobicContact CD2-CD2 4.33Å; L429-Y435 HydrophobicContact CD2-CE1 3.73Å; L429-Y435 HydrophobicContact CD2-CE2 4.07Å; L429-Y435 HydrophobicContact CD2-CG 4.3Å; L429-Y435 HydrophobicContact CG-CE2 4.45Å; V430-Y435 PolarHBondContact N-OH 3.47Å; T433-Y435 HydrophobicContact CG2-CD2 4.33Å; T433-Y435 HydrophobicContact CG2-CE2 3.77Å; Y435-F437 HydrophobicContact CG-CE2 4.34Å; Y435-N459 WeakPolarHBondContact O-CA 3.43Å; Y435-I460 PolarHBondContact N-O 3.09Å; Y435-I460 PolarHBondContact O-N 2.76Å; Y435-T462 HydrophobicContact CD2-CG2 4.12Å; Y435-T462 HydrophobicContact CE2-CG2 4.11Å |
| 436 | S | 91.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 8% | 0.077 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 125.7 | 170.9 | -170.1 | 0 | 0 | 0 | 0 | 109 | Q365 V457 V458 N459 | Q365-S436 PolarHBondContact N-O 3.42Å; Q365-S436 PolarHBondContact O-N 2.85Å; S436-V457 WeakPolarHBondContact OG-CG2 3.43Å; S436-V458 WeakPolarHBondContact CA-O 3.39Å; S436-N459 VanDerWaalsContact CB-OD1 3.24Å; S436-N459 WeakPolarHBondContact CB-OD1 3.26Å; S436-N459 PolarHBondContact OG-OD1 3.23Å |
| 437 | F | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.1 | 176.6 | -67.4 | -90.8 | 0 | 0 | 0 | 109.5 | L344 I362 L363 C364 F412 V426 L429 Y435 V457 V458 I460 | L344-F437 HydrophobicContact CD1-CB 3.72Å; L344-F437 HydrophobicContact CD1-CD1 3.86Å; L344-F437 HydrophobicContact CD1-CD2 4.29Å; L344-F437 HydrophobicContact CD1-CG 3.68Å; I362-F437 HydrophobicContact CG2-CB 4.28Å; I362-F437 HydrophobicContact CG2-CD1 3.69Å; I362-F437 HydrophobicContact CG2-CG 4.48Å; L363-F437 CarbonylContact O-C 3.52Å; L363-F437 WeakPolarHBondContact O-CA 3.13Å; C364-F437 HydrophobicContact CB-CD1 3.85Å; C364-F437 HydrophobicContact CB-CE1 3.6Å; C364-F437 HydrophobicContact CB-CZ 4.41Å; C364-F437 WeakPolarHBondContact SG-CE1 3.02Å; C364-F437 VanDerWaalsContact SG-CZ 3.57Å; F412-F437 HydrophobicContact CE1-CE1 4.21Å; V426-F437 HydrophobicContact CB-CE1 4.36Å; V426-F437 HydrophobicContact CB-CZ 4.43Å; V426-F437 HydrophobicContact CG1-CE1 3.98Å; V426-F437 HydrophobicContact CG1-CZ 4.08Å; V426-F437 HydrophobicContact CG2-CE1 3.85Å; V426-F437 HydrophobicContact CG2-CZ 4.3Å; L429-F437 HydrophobicContact CD1-CZ 4.21Å; L429-F437 HydrophobicContact CD2-CZ 4.19Å; Y435-F437 HydrophobicContact CG-CE2 4.34Å; F437-V457 WeakPolarHBondContact O-CA 3.41Å; F437-V458 HydrophobicContact CB-CG1 3.93Å; F437-V458 PolarHBondContact N-O 3.39Å; F437-V458 PolarHBondContact O-N 2.91Å; F437-I460 HydrophobicContact CD2-CD1 3.95Å; F437-I460 HydrophobicContact CD2-CG1 4.32Å; F437-I460 HydrophobicContact CE2-CD1 3.49Å; F437-I460 VanDerWaalsContact CE2-CD1 3.49Å; F437-I460 HydrophobicContact CE2-CG1 4.04Å |
| 438 | R | 93.8 | Very high | 90.2 | Very high | 74 Ų | 74 | 36.6 Ų | 36.6 | 28% | 0.279 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.9 | 172.4 | -52.3 | -178.7 | -165.7 | -162.1 | 7.2 | 109 | I362 L363 Y455 A456 V457 | I362-R438 WeakPolarHBondContact CA-O 3.26Å; L363-R438 HydrophobicContact CB-CB 4.31Å; L363-R438 PolarHBondContact N-O 3.28Å; L363-R438 PolarHBondContact O-N 2.63Å; R438-Y455 HydrophobicContact CB-CD2 3.95Å; R438-Y455 HydrophobicContact CB-CG 4.29Å; R438-Y455 HydrophobicContact CG-CD2 3.99Å; R438-Y455 HydrophobicContact CG-CE2 4.13Å; R438-Y455 PolarHBondContact NH1-OH 2.82Å; R438-Y455 VanDerWaalsContact NH1-OH 3.16Å; R438-A456 CarbonylContact C-O 3.59Å; R438-A456 VanDerWaalsContact CA-O 3.27Å; R438-A456 WeakPolarHBondContact CA-O 3.43Å; R438-V457 HydrophobicContact CG-CG2 4.19Å |
| 439 | I | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.7 | 177.6 | -51.6 | 81.4 | 0 | 0 | 0 | 107.5 | P330 V333 W346 I362 Y455 A456 V458 | P330-I439 HydrophobicContact CG-CB 4.42Å; P330-I439 HydrophobicContact CG-CG2 4Å; V333-I439 HydrophobicContact CG1-CD1 3.78Å; V333-I439 HydrophobicContact CG2-CD1 4.23Å; W346-I439 HydrophobicContact CD2-CG2 3.94Å; W346-I439 HydrophobicContact CE3-CG1 4.29Å; W346-I439 HydrophobicContact CE3-CG2 4.33Å; W346-I439 HydrophobicContact CG-CG2 4.41Å; W346-I439 HydrophobicContact CH2-CG2 4.45Å; W346-I439 HydrophobicContact CZ2-CG2 4.03Å; I362-I439 HydrophobicContact CG1-CG1 4.19Å; I362-I439 HydrophobicContact CG1-CG2 4.48Å; I439-Y455 WeakPolarHBondContact O-CA 3.26Å; I439-A456 PolarHBondContact N-O 2.82Å; I439-A456 PolarHBondContact O-N 2.83Å; I439-V458 HydrophobicContact CD1-CG1 4.23Å |
| 440 | L | 94.7 | Very high | 90.3 | Very high | 28 Ų | 28 | 41.8 Ų | 41.8 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 140.8 | 174.4 | -60.3 | 99.1 | 0 | 0 | 0 | 109.6 | Y360 S361 L363 | Y360-L440 VanDerWaalsContact CA-O 3.25Å; Y360-L440 WeakPolarHBondContact CA-O 3.4Å; S361-L440 PolarHBondContact N-O 3.39Å; S361-L440 PolarHBondContact O-N 2.95Å; L363-L440 HydrophobicContact CD1-CD1 3.76Å; L363-L440 HydrophobicContact CG-CD1 3.71Å |
| 441 | A | 94.8 | Very high | 90.2 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 139 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | P327 P330 P349 Y360 | P327-A441 HydrophobicContact CB-CB 4.33Å; P327-A441 HydrophobicContact CG-CB 3.84Å; P330-A441 HydrophobicContact CG-CB 4.11Å; P349-A441 HydrophobicContact CG-CB 3.59Å; Y360-A441 HydrophobicContact CD1-CB 3.99Å; Y360-A441 HydrophobicContact CE1-CB 3.89Å |
| 442 | T | 94.3 | Very high | 90.3 | Very high | 38 Ų | 38 | 49.3 Ų | 49.3 | 23% | 0.233 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 156.9 | 175.7 | 61 | 0 | 0 | 0 | 0 | 109.8 | L358 Q359 T446 | L358-T442 WeakPolarHBondContact CA-O 3.33Å; Q359-T442 PolarHBondContact N-O 2.79Å; Q359-T442 PolarHBondContact O-N 2.94Å; Q359-T442 PolarHBondContact O-OG1 2.83Å; T442-T446 HydrophobicContact CG2-CG2 4.07Å |
| 443 | N | 94.1 | Very high | 90.4 | Very high | 11 Ų | 11 | 47.4 Ų | 47.4 | 6% | 0.059 | 27% | 0.266 | C | S | . | . | trans | -138.5 | 176.4 | 173.1 | 68.3 | 9.5 | 0 | 0 | 0 | 109.4 | R325 T352 D357 L358 V445 T446 | R325-N443 PolarHBondContact O-ND2 3.37Å; T352-N443 PolarHBondContact O-ND2 2.65Å; D357-N443 WeakPolarHBondContact OD1-CB 3.21Å; L358-N443 HydrophobicContact CD2-CB 4.38Å; N443-V445 PolarHBondContact O-N 2.96Å; N443-V445 VanDerWaalsContact O-N 3.08Å; N443-V445 WeakPolarHBondContact OD1-CG2 3.4Å; N443-V445 PolarHBondContact OD1-N 2.85Å; N443-T446 PolarHBondContact N-OG1 3.33Å; N443-T446 WeakPolarHBondContact O-CB 3.42Å; N443-T446 PolarHBondContact O-N 3.38Å; N443-T446 PolarHBondContact O-OG1 2.95Å; N443-T446 PolarHBondContact OD1-N 2.87Å; N443-T446 VanDerWaalsContact OD1-N 3.09Å; N443-T446 PolarHBondContact OD1-OG1 3.25Å | ||
| 444 | A | 93.1 | Very high | 90.6 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 29% | 0.289 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | A314 D357 H447 | A314-A444 HydrophobicContact CB-CB 3.85Å; D357-A444 WeakPolarHBondContact OD2-CB 3.35Å; A444-H447 PolarHBondContact O-CE1 3.15Å; A444-H447 PolarHBondContact O-ND1 2.79Å |
| 445 | V | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -4.6 | 179.6 | -62.2 | 0 | 0 | 0 | 0 | 114.6 | A314 S324 R325 N443 H447 L448 | A314-V445 HydrophobicContact CB-CG1 4.35Å; S324-V445 WeakPolarHBondContact OG-CG1 3.17Å; R325-V445 WeakPolarHBondContact O-CG2 3.44Å; N443-V445 PolarHBondContact O-N 2.96Å; N443-V445 VanDerWaalsContact O-N 3.08Å; N443-V445 WeakPolarHBondContact OD1-CG2 3.4Å; N443-V445 PolarHBondContact OD1-N 2.85Å; V445-H447 PolarHBondContact O-N 3.45Å; V445-H447 VanDerWaalsContact O-N 3.16Å; V445-L448 HydrophobicContact CB-CD1 4.42Å; V445-L448 HydrophobicContact CG1-CD1 4.37Å; V445-L448 WeakPolarHBondContact O-CB 3.32Å; V445-L448 PolarHBondContact O-N 3.45Å |
| 446 | T | 92.3 | Very high | 91 | Very high | 16 Ų | 16 | 53.4 Ų | 53.4 | 10% | 0.098 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -60.7 | -30.9 | -175.1 | -61 | 0 | 0 | 0 | 0 | 112.9 | P326 P327 T442 N443 L448 | P326-T446 HydrophobicContact CB-CG2 4.27Å; P327-T446 WeakPolarHBondContact CD-OG1 3.41Å; T442-T446 HydrophobicContact CG2-CG2 4.07Å; N443-T446 PolarHBondContact N-OG1 3.33Å; N443-T446 WeakPolarHBondContact O-CB 3.42Å; N443-T446 PolarHBondContact O-N 3.38Å; N443-T446 PolarHBondContact O-OG1 2.95Å; N443-T446 PolarHBondContact OD1-N 2.87Å; N443-T446 VanDerWaalsContact OD1-N 3.09Å; N443-T446 PolarHBondContact OD1-OG1 3.25Å; T446-L448 VanDerWaalsContact C-N 3.29Å; T446-L448 PolarHBondContact O-N 2.71Å |
| 447 | H | 90.4 | Very high | 91.1 | Very high | 145 Ų | 145 | 56.7 Ų | 56.7 | 67% | 0.671 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -77.2 | -9.2 | 178.7 | 75.5 | -84.1 | 0 | 0 | 0 | 114.6 | A444 V445 | A444-H447 PolarHBondContact O-CE1 3.15Å; A444-H447 PolarHBondContact O-ND1 2.79Å; V445-H447 PolarHBondContact O-N 3.45Å; V445-H447 VanDerWaalsContact O-N 3.16Å |
| 448 | L | 90.9 | Very high | 91.1 | Very high | 68 Ų | 68 | 57.6 Ų | 57.6 | 36% | 0.356 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -92.7 | -13.3 | 178.6 | -59.8 | 173.7 | 0 | 0 | 0 | 112.5 | Y312 R313 V445 T446 | Y312-L448 HydrophobicContact CD1-CB 3.75Å; Y312-L448 HydrophobicContact CE1-CB 4.22Å; Y312-L448 WeakPolarHBondContact CE1-O 3.34Å; Y312-L448 HydrophobicContact CG-CB 3.94Å; Y312-L448 HydrophobicContact CG-CD1 4.43Å; R313-L448 WeakPolarHBondContact O-CD1 3.4Å; V445-L448 HydrophobicContact CB-CD1 4.42Å; V445-L448 HydrophobicContact CG1-CD1 4.37Å; V445-L448 WeakPolarHBondContact O-CB 3.32Å; V445-L448 PolarHBondContact O-N 3.45Å; T446-L448 VanDerWaalsContact C-N 3.29Å; T446-L448 PolarHBondContact O-N 2.71Å |
| 449 | S | 89.5 | Confident | 90.9 | Very high | 16 Ų | 16 | 59.7 Ų | 59.7 | 11% | 0.112 | 33% | 0.331 | C | S | . | . | trans | -87.2 | 142.4 | 176.2 | -174.3 | 0 | 0 | 0 | 0 | 111.5 | E451 | S449-E451 VanDerWaalsContact C-N 3.32Å; S449-E451 WeakPolarHBondContact OG-CB 3.26Å; S449-E451 PolarHBondContact OG-N 3.46Å; S449-E451 VanDerWaalsContact OG-N 3.1Å | ||
| 450 | N | 84.5 | Confident | 90.6 | Very high | 170 Ų | 170 | 60.3 Ų | 60.3 | 91% | 0.909 | 33% | 0.334 | S | S | * | . | trans | -86.8 | -2.3 | 170 | -69.9 | -32.7 | 0 | 0 | 0 | 112.7 | ||||
| 451 | E | 82.8 | Confident | 90.2 | Very high | 123 Ų | 123 | 62.2 Ų | 62.2 | 58% | 0.575 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -79.3 | 143.3 | 177.6 | -63.4 | -173.5 | 164.9 | 0 | 0 | 111.8 | S449 S453 | S449-E451 VanDerWaalsContact C-N 3.32Å; S449-E451 WeakPolarHBondContact OG-CB 3.26Å; S449-E451 PolarHBondContact OG-N 3.46Å; S449-E451 VanDerWaalsContact OG-N 3.1Å; E451-S453 PolarHBondContact O-N 3.1Å |
| 452 | A | 82.4 | Confident | 89.7 | Confident | 95 Ų | 95 | 62.2 Ų | 62.2 | 79% | 0.785 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 129.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q454 | A452-Q454 PolarHBondContact O-N 2.93Š|
| 453 | S | 85.7 | Confident | 89 | Confident | 57 Ų | 57 | 64.1 Ų | 64.1 | 40% | 0.399 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 127.9 | -179 | -48.7 | 0 | 0 | 0 | 0 | 112 | E451 | E451-S453 PolarHBondContact O-N 3.1Š|
| 454 | Q | 88.6 | Confident | 88.3 | Confident | 110 Ų | 110 | 66.3 Ų | 66.3 | 51% | 0.514 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 147.2 | 177.5 | -59.1 | -177 | 14.2 | 0 | 0 | 111.1 | A329 A452 | A329-Q454 HydrophobicContact CB-CB 4.02Å; A452-Q454 PolarHBondContact O-N 2.93Å |
| 455 | Y | 93.8 | Very high | 87.5 | Confident | 107 Ų | 107 | 66.1 Ų | 66.1 | 42% | 0.42 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 147.9 | -178 | 62.1 | -98.7 | 0 | 0 | 0 | 112.1 | R438 I439 V457 | R438-Y455 HydrophobicContact CB-CD2 3.95Å; R438-Y455 HydrophobicContact CB-CG 4.29Å; R438-Y455 HydrophobicContact CG-CD2 3.99Å; R438-Y455 HydrophobicContact CG-CE2 4.13Å; R438-Y455 PolarHBondContact NH1-OH 2.82Å; R438-Y455 VanDerWaalsContact NH1-OH 3.16Å; I439-Y455 WeakPolarHBondContact O-CA 3.26Å; Y455-V457 HydrophobicContact CD2-CB 4.4Å; Y455-V457 HydrophobicContact CE2-CB 4.39Å |
| 456 | A | 93.1 | Very high | 86.8 | Confident | 15 Ų | 15 | 68 Ų | 68 | 12% | 0.124 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 147 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | P330 V333 R438 I439 | P330-A456 HydrophobicContact CB-CB 4.36Å; V333-A456 HydrophobicContact CG2-CB 3.49Å; V333-A456 VanDerWaalsContact CG2-CB 3.49Å; R438-A456 CarbonylContact C-O 3.59Å; R438-A456 VanDerWaalsContact CA-O 3.27Å; R438-A456 WeakPolarHBondContact CA-O 3.43Å; I439-A456 PolarHBondContact N-O 2.82Å; I439-A456 PolarHBondContact O-N 2.83Å |
| 457 | V | 92.7 | Very high | 86.4 | Confident | 79 Ų | 79 | 67.6 Ų | 67.6 | 48% | 0.479 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.3 | -179.4 | 64.1 | 0 | 0 | 0 | 0 | 111.2 | S436 F437 R438 Y455 | S436-V457 WeakPolarHBondContact OG-CG2 3.43Å; F437-V457 WeakPolarHBondContact O-CA 3.41Å; R438-V457 HydrophobicContact CG-CG2 4.19Å; Y455-V457 HydrophobicContact CD2-CB 4.4Å; Y455-V457 HydrophobicContact CE2-CB 4.39Å |
| 458 | V | 92.1 | Very high | 86 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 12% | 0.115 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.7 | 172.8 | 64.3 | 0 | 0 | 0 | 0 | 110.1 | V333 L344 S436 F437 I439 I460 | V333-V458 HydrophobicContact CG1-CB 3.92Å; V333-V458 HydrophobicContact CG1-CG1 3.84Å; L344-V458 HydrophobicContact CD2-CG1 3.88Å; S436-V458 WeakPolarHBondContact CA-O 3.39Å; F437-V458 HydrophobicContact CB-CG1 3.93Å; F437-V458 PolarHBondContact N-O 3.39Å; F437-V458 PolarHBondContact O-N 2.91Å; I439-V458 HydrophobicContact CD1-CG1 4.23Å; V458-I460 HydrophobicContact CG2-CG2 4.12Å |
| 459 | N | 90.8 | Very high | 85.7 | Confident | 119 Ų | 119 | 62.2 Ų | 62.2 | 64% | 0.636 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132 | 179.5 | -64.2 | -21.3 | 0 | 0 | 0 | 108.9 | Y435 S436 | Y435-N459 WeakPolarHBondContact O-CA 3.43Å; S436-N459 VanDerWaalsContact CB-OD1 3.24Å; S436-N459 WeakPolarHBondContact CB-OD1 3.26Å; S436-N459 PolarHBondContact OG-OD1 3.23Å |
| 460 | I | 88.3 | Confident | 85.5 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 159.8 | -174.6 | 66.9 | 178.2 | 0 | 0 | 0 | 111.3 | S335 V337 V342 N434 Y435 F437 V458 | S335-I460 WeakPolarHBondContact OG-CG2 3.36Å; V337-I460 HydrophobicContact CG2-CB 4.32Å; V337-I460 HydrophobicContact CG2-CD1 4.47Å; V342-I460 HydrophobicContact CB-CD1 4.03Å; V342-I460 HydrophobicContact CG1-CD1 3.54Å; V342-I460 HydrophobicContact CG2-CD1 3.39Å; N434-I460 CarbonylContact C-O 3.59Å; N434-I460 WeakPolarHBondContact CA-O 3.31Å; Y435-I460 PolarHBondContact N-O 3.09Å; Y435-I460 PolarHBondContact O-N 2.76Å; F437-I460 HydrophobicContact CD2-CD1 3.95Å; F437-I460 HydrophobicContact CD2-CG1 4.32Å; F437-I460 HydrophobicContact CE2-CD1 3.49Å; F437-I460 VanDerWaalsContact CE2-CD1 3.49Å; F437-I460 HydrophobicContact CE2-CG1 4.04Å; V458-I460 HydrophobicContact CG2-CG2 4.12Å |
| 461 | T | 85.8 | Confident | 85.3 | Confident | 67 Ų | 67 | 58.6 Ų | 58.6 | 41% | 0.411 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 129.1 | 169.6 | -49.1 | 0 | 0 | 0 | 0 | 108.6 | T433 N434 | T433-T461 WeakPolarHBondContact O-CA 3.38Å; N434-T461 WeakPolarHBondContact OD1-CB 3.43Å; N434-T461 VanDerWaalsContact OD1-CG2 3.29Å; N434-T461 WeakPolarHBondContact OD1-CG2 3.44Å; N434-T461 PolarHBondContact OD1-OG1 3.36Å |
| 462 | T | 84.3 | Confident | 85.1 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 153.4 | 175.3 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | L429 V430 A431 H432 T433 Y435 | L429-T462 HydrophobicContact CB-CG2 3.77Å; L429-T462 HydrophobicContact CD1-CG2 4.16Å; V430-T462 WeakPolarHBondContact O-CB 3.47Å; V430-T462 PolarHBondContact O-OG1 3.45Å; A431-T462 VanDerWaalsContact C-OG1 3.26Å; A431-T462 WeakPolarHBondContact CA-OG1 3.4Å; H432-T462 WeakPolarHBondContact CA-O 3.25Å; H432-T462 PolarHBondContact N-O 2.77Å; H432-T462 PolarHBondContact N-OG1 2.86Å; T433-T462 PolarHBondContact N-OG1 2.95Å; T433-T462 PolarHBondContact O-N 3.33Å; T433-T462 VanDerWaalsContact O-N 3.09Å; T433-T462 PolarHBondContact O-OG1 2.03Å; Y435-T462 HydrophobicContact CD2-CG2 4.12Å; Y435-T462 HydrophobicContact CE2-CG2 4.11Å |
| 463 | N | 80.4 | Confident | 85.2 | Confident | 78 Ų | 78 | 51.6 Ų | 51.6 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 163.9 | 179.3 | -64.6 | -16 | 0 | 0 | 0 | 111.3 | G339 A431 H432 | G339-N463 PolarHBondContact N-ND2 3.4Å; G339-N463 PolarHBondContact O-N 3.42Å; A431-N463 WeakPolarHBondContact CB-O 3.32Å; H432-N463 PolarHBondContact N-O 2.83Å |
| 464 | Q | 79.1 | Confident | 85.1 | Confident | 57 Ų | 57 | 56.5 Ų | 56.5 | 27% | 0.266 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 150.8 | 169.1 | -60.2 | -171.4 | 25.7 | 0 | 0 | 110.7 | H432 N494 S544 A545 | H432-Q464 HydrophobicContact CB-CG 4.3Å; Q464-N494 CarbonylContact C-O 3.58Å; Q464-N494 VanDerWaalsContact CA-O 3.22Å; Q464-N494 WeakPolarHBondContact CA-O 3.36Å; Q464-N494 WeakPolarHBondContact CB-O 3.48Å; Q464-S544 PolarHBondContact OE1-OG 2.87Å; Q464-A545 WeakPolarHBondContact O-CB 3.49Å |
| 465 | A | 75.6 | Confident | 84.9 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 26% | 0.256 | 30% | 0.297 | S | S | . | . | trans | -131.2 | 177 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A431 N494 T543 | A431-A465 HydrophobicContact CB-CB 3.86Å; A465-N494 HydrophobicContact CB-CB 4.12Å; A465-N494 PolarHBondContact N-O 3.16Å; A465-T543 PolarHBondContact O-OG1 3.45Å | ||
| 466 | A | 79.3 | Confident | 84.4 | Confident | 41 Ų | 41 | 56 Ų | 56 | 34% | 0.339 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 141.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | N494 | A466-N494 PolarHBondContact O-ND2 3.33Š|
| 467 | P | 85.3 | Confident | 83.8 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 5% | 0.045 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 159.7 | 176.9 | -23.2 | 33.4 | 0 | 0 | 0 | 113.7 | P490 Q492 A541 T543 G548 | P467-P490 HydrophobicContact CB-CB 4.28Å; P467-P490 HydrophobicContact CB-CG 3.95Å; P467-Q492 WeakPolarHBondContact CA-O 3.05Å; P467-A541 HydrophobicContact CB-CB 3.94Å; P467-A541 HydrophobicContact CG-CB 3.87Å; P467-T543 HydrophobicContact CG-CG2 3.57Å; P467-G548 VanDerWaalsContact O-CA 3.26Å; P467-G548 WeakPolarHBondContact O-CA 3.5Å |
| 468 | S | 80.9 | Confident | 83.3 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 22% | 0.217 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 171.7 | 164 | 67.5 | 0 | 0 | 0 | 0 | 112 | P490 N491 Q492 | S468-P490 WeakPolarHBondContact O-CB 3.1Å; S468-P490 WeakPolarHBondContact OG-CB 3.26Å; S468-N491 PolarHBondContact OG-N 3.22Å; S468-Q492 PolarHBondContact N-O 2.84Å; S468-Q492 PolarHBondContact OG-N 3.31Å; S468-Q492 VanDerWaalsContact OG-N 3.13Å; S468-Q492 PolarHBondContact OG-O 3.43Å |
| 469 | E | 84 | Confident | 82.8 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 154.1 | 172 | 69.1 | -172.6 | 141.7 | 0 | 0 | 112 | L471 R549 | E469-L471 HydrophobicContact CG-CD2 3.67Å; E469-L471 HydrophobicContact CG-CG 4.16Å; E469-R549 HydrophobicContact CB-CB 4.29Å |
| 470 | V | 86.3 | Confident | 82.3 | Confident | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | trans | -84.9 | 108.8 | 172 | 173.6 | 0 | 0 | 0 | 0 | 108.1 | I473 W487 P490 Y500 V539 S551 | V470-I473 HydrophobicContact CG1-CG1 4.35Å; V470-W487 HydrophobicContact CG1-CB 3.72Å; V470-W487 HydrophobicContact CG1-CG 4.02Å; V470-P490 HydrophobicContact CG2-CG 3.94Å; V470-Y500 HydrophobicContact CG2-CD1 4.49Å; V470-Y500 HydrophobicContact CG2-CE1 4.29Å; V470-V539 HydrophobicContact CG2-CG1 4.22Å; V470-S551 WeakPolarHBondContact O-CB 3.49Å | ||
| 471 | L | 80.9 | Confident | 82.2 | Confident | 109 Ų | 109 | 63.8 Ų | 63.8 | 57% | 0.571 | 34% | 0.338 | S | S | * | . | trans | -82.4 | -20.8 | -170.2 | -69.8 | 171 | 0 | 0 | 0 | 115 | E469 | E469-L471 HydrophobicContact CG-CD2 3.67Å; E469-L471 HydrophobicContact CG-CG 4.16Å | ||
| 472 | S | 77.1 | Confident | 82.3 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | trans | -133.1 | 106.4 | -175.7 | 61.6 | 0 | 0 | 0 | 0 | 112.2 | W487 H488 | S472-W487 WeakPolarHBondContact O-CA 3.46Å; S472-W487 WeakPolarHBondContact O-CB 3.48Å; S472-H488 PolarHBondContact OG-ND1 3.35Å | ||
| 473 | I | 85.6 | Confident | 82.6 | Confident | 27 Ų | 27 | 61.6 Ų | 61.6 | 14% | 0.138 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 136.7 | 167.5 | -62.9 | 166.6 | 0 | 0 | 0 | 107.8 | V470 L485 M486 W487 V539 S551 V554 | V470-I473 HydrophobicContact CG1-CG1 4.35Å; I473-L485 HydrophobicContact CG2-CB 4.47Å; I473-L485 HydrophobicContact CG2-CD2 3.98Å; I473-M486 CarbonylContact C-O 3.54Å; I473-M486 WeakPolarHBondContact CA-O 3.43Å; I473-W487 HydrophobicContact CG1-CB 4.13Å; I473-V539 HydrophobicContact CD1-CB 3.82Å; I473-V539 HydrophobicContact CD1-CG2 3.57Å; I473-V539 HydrophobicContact CG1-CB 4.37Å; I473-V539 HydrophobicContact CG1-CG2 4.08Å; I473-S551 WeakPolarHBondContact CD1-OG 3.25Å; I473-V554 HydrophobicContact CB-CG2 3.93Å; I473-V554 HydrophobicContact CD1-CG2 4.26Å; I473-V554 HydrophobicContact CG2-CG2 4.09Å |
| 474 | R | 84.3 | Confident | 83 | Confident | 161 Ų | 161 | 59.2 Ų | 59.2 | 61% | 0.608 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 136.7 | 178.2 | -62 | -178.2 | 179.5 | 178 | 1 | 109.5 | L485 M486 | R474-L485 WeakPolarHBondContact O-CA 3.42Å; R474-M486 PolarHBondContact N-O 2.9Å; R474-M486 PolarHBondContact O-N 3.46Å |
| 475 | Q | 84.4 | Confident | 83.6 | Confident | 103 Ų | 103 | 56.5 Ų | 56.5 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 132.3 | 168.3 | 178.1 | -175.4 | -8.3 | 0 | 0 | 108.9 | T478 I556 | Q475-T478 PolarHBondContact NE2-OG1 2.69Å; Q475-I556 HydrophobicContact CB-CD1 3.89Å; Q475-I556 HydrophobicContact CG-CD1 3.9Å; Q475-I556 HydrophobicContact CG-CG2 4.45Å |
| 476 | E | 83.1 | Confident | 84.3 | Confident | 102 Ų | 102 | 58.7 Ų | 58.7 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -53 | 178.4 | -177.3 | -179.3 | -139.3 | 0 | 0 | 111.8 | T484 M486 | E476-T484 HydrophobicContact CB-CG2 4.36Å; E476-T484 PolarHBondContact N-O 3.25Å; E476-T484 VanDerWaalsContact OE2-CG2 3.28Å; E476-T484 WeakPolarHBondContact OE2-CG2 3.43Å; E476-M486 HydrophobicContact CB-CE 4.43Å; E476-M486 HydrophobicContact CG-CE 4.29Å |
| 477 | N | 78.9 | Confident | 84.8 | Confident | 108 Ų | 108 | 57.2 Ų | 57.2 | 58% | 0.578 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142 | 154.4 | -177.3 | -89.5 | -48 | 0 | 0 | 0 | 111.3 | T484 | N477-T484 PolarHBondContact O-N 2.9Å |
| 478 | T | 83.1 | Confident | 84.9 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 33% | 0.325 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 136.4 | 179.7 | -61.7 | 0 | 0 | 0 | 0 | 111.2 | Q475 S482 V483 I556 | Q475-T478 PolarHBondContact NE2-OG1 2.69Å; T478-S482 WeakPolarHBondContact CA-O 3.37Å; T478-V483 HydrophobicContact CG2-CG2 3.93Å; T478-I556 HydrophobicContact CG2-CG2 4.37Å |
| 479 | S | 81.4 | Confident | 85.2 | Confident | 42 Ų | 42 | 65.5 Ų | 65.5 | 29% | 0.294 | 33% | 0.327 | S | S | . | . | trans | -119.9 | -167.2 | -179.5 | 83.3 | 0 | 0 | 0 | 0 | 111.5 | N481 S482 G559 | S479-N481 PolarHBondContact O-N 2.85Å; S479-N481 PolarHBondContact OG-N 2.8Å; S479-N481 PolarHBondContact OG-OD1 2.94Å; S479-S482 PolarHBondContact N-O 2.63Å; S479-S482 PolarHBondContact OG-N 3.15Å; S479-S482 PolarHBondContact OG-OG 3.05Å; S479-G559 PolarHBondContact O-N 3.33Å | ||
| 480 | Q | 81.2 | Confident | 85.2 | Confident | 119 Ų | 119 | 62.4 Ų | 62.4 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -70 | -19.4 | 169.7 | -66.3 | 176.7 | -0.9 | 0 | 0 | 113 | P531 | Q480-P531 VanDerWaalsContact O-CA 3.24Å; Q480-P531 WeakPolarHBondContact O-CA 3.46Å; Q480-P531 WeakPolarHBondContact O-CG 3.31Å |
| 481 | N | 86.2 | Confident | 84.9 | Confident | 87 Ų | 87 | 68.6 Ų | 68.6 | 47% | 0.465 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -142.5 | 11 | -174.4 | 69.9 | 3.3 | 0 | 0 | 0 | 115.3 | S479 S527 G528 L529 | S479-N481 PolarHBondContact O-N 2.85Å; S479-N481 PolarHBondContact OG-N 2.8Å; S479-N481 PolarHBondContact OG-OD1 2.94Å; N481-S527 CarbonylContact O-C 3.47Å; N481-G528 PolarHBondContact O-N 3.25Å; N481-L529 WeakPolarHBondContact CA-O 3.47Å; N481-L529 WeakPolarHBondContact CB-O 3.28Å; N481-L529 PolarHBondContact O-N 3.23Å |
| 482 | S | 87.9 | Confident | 84.8 | Confident | 24 Ų | 24 | 68.2 Ų | 68.2 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 155.9 | -178.1 | 63.8 | 0 | 0 | 0 | 0 | 114 | T478 S479 V526 | T478-S482 WeakPolarHBondContact CA-O 3.37Å; S479-S482 PolarHBondContact N-O 2.63Å; S479-S482 PolarHBondContact OG-N 3.15Å; S479-S482 PolarHBondContact OG-OG 3.05Å; S482-V526 CarbonylContact C-O 3.59Å; S482-V526 WeakPolarHBondContact CA-O 3.4Å; S482-V526 WeakPolarHBondContact CB-O 3.41Å |
| 483 | V | 90.2 | Very high | 84.7 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 134 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 109.2 | T478 L485 V526 L529 F537 I556 T558 | T478-V483 HydrophobicContact CG2-CG2 3.93Å; V483-L485 HydrophobicContact CG1-CD2 4.11Å; V483-L485 HydrophobicContact CG1-CG 4.23Å; V483-V526 PolarHBondContact N-O 3.17Å; V483-V526 PolarHBondContact O-N 2.85Å; V483-L529 HydrophobicContact CB-CD1 4.05Å; V483-L529 HydrophobicContact CG2-CD1 3.66Å; V483-F537 HydrophobicContact CB-CZ 4.07Å; V483-F537 HydrophobicContact CG1-CE2 4.33Å; V483-F537 HydrophobicContact CG1-CZ 4.17Å; V483-F537 HydrophobicContact CG2-CZ 4.2Å; V483-I556 HydrophobicContact CG1-CD1 3.68Å; V483-I556 HydrophobicContact CG1-CG2 4.12Å; V483-I556 HydrophobicContact CG2-CG2 3.84Å; V483-T558 HydrophobicContact CG2-CG2 4.47Å |
| 484 | T | 89.4 | Confident | 84.3 | Confident | 27 Ų | 27 | 68.6 Ų | 68.6 | 17% | 0.166 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.7 | 172.2 | -47.8 | 0 | 0 | 0 | 0 | 110.7 | E476 N477 A524 L525 | E476-T484 HydrophobicContact CB-CG2 4.36Å; E476-T484 PolarHBondContact N-O 3.25Å; E476-T484 VanDerWaalsContact OE2-CG2 3.28Å; E476-T484 WeakPolarHBondContact OE2-CG2 3.43Å; N477-T484 PolarHBondContact O-N 2.9Å; T484-A524 WeakPolarHBondContact CA-O 3.36Å; T484-L525 WeakPolarHBondContact OG1-CD1 3.46Å |
| 485 | L | 90.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 145.5 | -178.7 | -64 | 174.4 | 0 | 0 | 0 | 111.3 | I473 R474 V483 W487 L502 S523 A524 F537 I556 | I473-L485 HydrophobicContact CG2-CB 4.47Å; I473-L485 HydrophobicContact CG2-CD2 3.98Å; R474-L485 WeakPolarHBondContact O-CA 3.42Å; V483-L485 HydrophobicContact CG1-CD2 4.11Å; V483-L485 HydrophobicContact CG1-CG 4.23Å; L485-W487 HydrophobicContact CB-CE3 4.32Å; L485-W487 HydrophobicContact CB-CZ3 4.02Å; L485-L502 HydrophobicContact CD1-CD1 3.61Å; L485-L502 HydrophobicContact CD1-CD2 4.04Å; L485-L502 HydrophobicContact CD1-CG 4.5Å; L485-S523 CarbonylContact O-C 3.56Å; L485-S523 VanDerWaalsContact O-CA 3.24Å; L485-S523 WeakPolarHBondContact O-CA 3.32Å; L485-A524 PolarHBondContact N-O 2.8Å; L485-A524 PolarHBondContact O-N 2.98Å; L485-F537 HydrophobicContact CD1-CB 3.83Å; L485-F537 HydrophobicContact CD1-CD1 3.57Å; L485-F537 HydrophobicContact CD1-CE1 4.3Å; L485-F537 HydrophobicContact CD1-CG 3.76Å; L485-I556 HydrophobicContact CD2-CD1 3.55Å |
| 486 | M | 90.3 | Very high | 84.1 | Confident | 78 Ų | 78 | 60.8 Ų | 60.8 | 38% | 0.384 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 150.6 | 169.5 | -65 | -157.2 | -76.5 | 0 | 0 | 111.1 | I473 R474 E476 T522 | I473-M486 CarbonylContact C-O 3.54Å; I473-M486 WeakPolarHBondContact CA-O 3.43Å; R474-M486 PolarHBondContact N-O 2.9Å; R474-M486 PolarHBondContact O-N 3.46Å; E476-M486 HydrophobicContact CB-CE 4.43Å; E476-M486 HydrophobicContact CG-CE 4.29Å; M486-T522 CarbonylContact C-O 3.58Å; M486-T522 WeakPolarHBondContact CA-O 3.35Å |
| 487 | W | 90.7 | Very high | 84.1 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 3% | 0.034 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 176.4 | 176.7 | 53 | 91.3 | 0 | 0 | 0 | 112.1 | V470 S472 I473 L485 Y500 T519 T522 A524 V539 | V470-W487 HydrophobicContact CG1-CB 3.72Å; V470-W487 HydrophobicContact CG1-CG 4.02Å; S472-W487 WeakPolarHBondContact O-CA 3.46Å; S472-W487 WeakPolarHBondContact O-CB 3.48Å; I473-W487 HydrophobicContact CG1-CB 4.13Å; L485-W487 HydrophobicContact CB-CE3 4.32Å; L485-W487 HydrophobicContact CB-CZ3 4.02Å; W487-Y500 AromaticContact CD1-CD1 4Å; W487-Y500 AromaticContact CD1-CE1 3.85Å; W487-Y500 HydrophobicContact CZ2-CD1 4.41Å; W487-Y500 HydrophobicContact CZ2-CG 4.02Å; W487-Y500 AromaticContact NE1-CD1 3.17Å; W487-Y500 AromaticContact NE1-CD2 3.96Å; W487-Y500 AromaticContact NE1-CE1 3.38Å; W487-Y500 AromaticContact NE1-CG 3.49Å; W487-Y500 AromaticContact NE1-CZ 3.9Å; W487-T519 HydrophobicContact CH2-CG2 3.69Å; W487-T519 HydrophobicContact CZ2-CG2 3.56Å; W487-T522 PolarHBondContact N-O 3.37Å; W487-T522 WeakPolarHBondContact O-CB 3.04Å; W487-A524 HydrophobicContact CH2-CB 3.77Å; W487-A524 HydrophobicContact CZ3-CB 4.1Å; W487-V539 HydrophobicContact CD2-CG1 3.96Å; W487-V539 HydrophobicContact CD2-CG2 4.03Å; W487-V539 HydrophobicContact CE3-CG1 4.48Å; W487-V539 HydrophobicContact CE3-CG2 3.76Å; W487-V539 HydrophobicContact CG-CG1 4.31Å; W487-V539 HydrophobicContact CH2-CG1 4.46Å; W487-V539 HydrophobicContact CH2-CG2 4.18Å; W487-V539 HydrophobicContact CZ2-CG1 3.95Å; W487-V539 HydrophobicContact CZ2-CG2 4.45Å; W487-V539 HydrophobicContact CZ3-CG2 3.84Å |
| 488 | H | 87.4 | Confident | 84.4 | Confident | 100 Ų | 100 | 56.3 Ų | 56.3 | 46% | 0.463 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -104 | 162.3 | 168.3 | -60.9 | 92.1 | 0 | 0 | 0 | 110.4 | S472 | S472-H488 PolarHBondContact OG-ND1 3.35Š|
| 489 | E | 86.1 | Confident | 84.7 | Confident | 112 Ų | 112 | 55.6 Ų | 55.6 | 52% | 0.523 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 152.6 | 171.7 | -51.4 | -140.2 | 116.7 | 0 | 0 | 110.9 | I497 Y500 T522 | E489-I497 HydrophobicContact CB-CD1 4.27Å; E489-Y500 WeakPolarHBondContact CG-OH 3.32Å; E489-Y500 PolarHBondContact OE1-OH 2.67Å; E489-T522 HydrophobicContact CG-CG2 4.1Å |
| 490 | P | 85 | Confident | 85.1 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 139.1 | 175.8 | -16.4 | 28.7 | 0 | 0 | 0 | 111.9 | P467 S468 V470 Q492 P493 I497 A541 | P467-P490 HydrophobicContact CB-CB 4.28Å; P467-P490 HydrophobicContact CB-CG 3.95Å; S468-P490 WeakPolarHBondContact O-CB 3.1Å; S468-P490 WeakPolarHBondContact OG-CB 3.26Å; V470-P490 HydrophobicContact CG2-CG 3.94Å; P490-Q492 PolarHBondContact O-N 3.44Å; P490-P493 WeakPolarHBondContact O-CD 3.5Å; P490-I497 HydrophobicContact CG-CD1 4.32Å; P490-A541 HydrophobicContact CG-CB 3.58Å |
| 491 | N | 80.2 | Confident | 85.5 | Confident | 131 Ų | 131 | 48.4 Ų | 48.4 | 70% | 0.701 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -55.2 | -26.4 | 179.2 | -69.8 | 0.4 | 0 | 0 | 0 | 113.9 | S468 | S468-N491 PolarHBondContact OG-N 3.22Š|
| 492 | Q | 76.9 | Confident | 85.7 | Confident | 102 Ų | 102 | 44.3 Ų | 44.3 | 48% | 0.477 | 23% | 0.234 | S | C | . | . | trans | -124.8 | 92.7 | 171 | -65.3 | 177.5 | -8.8 | 0 | 0 | 108.9 | P467 S468 P490 N494 | P467-Q492 WeakPolarHBondContact CA-O 3.05Å; S468-Q492 PolarHBondContact N-O 2.84Å; S468-Q492 PolarHBondContact OG-N 3.31Å; S468-Q492 VanDerWaalsContact OG-N 3.13Å; S468-Q492 PolarHBondContact OG-O 3.43Å; P490-Q492 PolarHBondContact O-N 3.44Å; Q492-N494 PolarHBondContact O-N 2.88Å | ||
| 493 | P | 76.4 | Confident | 85.8 | Confident | 47 Ų | 47 | 45.2 Ų | 45.2 | 31% | 0.305 | 24% | 0.235 | S | C | . | . | trans | -62.1 | -28.6 | 177.1 | -25.1 | 35.9 | 0 | 0 | 0 | 112.9 | P490 G495 I497 T543 | P490-P493 WeakPolarHBondContact O-CD 3.5Å; P493-G495 PolarHBondContact O-N 2.8Å; P493-I497 HydrophobicContact CB-CD1 4.17Å; P493-I497 HydrophobicContact CB-CG1 4.25Å; P493-T543 WeakPolarHBondContact O-CG2 3.3Å | ||
| 494 | N | 77.4 | Confident | 85.8 | Confident | 31 Ų | 31 | 47 Ų | 47 | 17% | 0.166 | 24% | 0.242 | C | C | . | . | trans | 55.3 | 15.6 | -179.4 | -65.3 | -28 | 0 | 0 | 0 | 115.1 | A431 Q464 A465 A466 Q492 | A431-N494 HydrophobicContact CB-CB 3.98Å; Q464-N494 CarbonylContact C-O 3.58Å; Q464-N494 VanDerWaalsContact CA-O 3.22Å; Q464-N494 WeakPolarHBondContact CA-O 3.36Å; Q464-N494 WeakPolarHBondContact CB-O 3.48Å; A465-N494 HydrophobicContact CB-CB 4.12Å; A465-N494 PolarHBondContact N-O 3.16Å; A466-N494 PolarHBondContact O-ND2 3.33Å; Q492-N494 PolarHBondContact O-N 2.88Å | ||
| 495 | G | 80.4 | Confident | 85.8 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 12% | 0.124 | 24% | 0.238 | C | C | . | . | S | Bend | trans | 156.5 | -166 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | P493 | P493-G495 PolarHBondContact O-N 2.8Š|
| 496 | V | 82.9 | Confident | 85.6 | Confident | 87 Ų | 87 | 48.9 Ų | 48.9 | 53% | 0.527 | 25% | 0.248 | S | C | . | . | trans | -87.4 | 122.6 | 176.5 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | L498 T543 | V496-L498 PolarHBondContact O-N 3.16Å; V496-T543 WeakPolarHBondContact O-CG2 3.23Å | ||
| 497 | I | 84.3 | Confident | 85.2 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 17% | 0.169 | 25% | 0.245 | C | C | . | . | trans | -73.3 | 125 | 177.6 | -57.5 | 174.2 | 0 | 0 | 0 | 109 | E489 P490 P493 Y500 A541 | E489-I497 HydrophobicContact CB-CD1 4.27Å; P490-I497 HydrophobicContact CG-CD1 4.32Å; P493-I497 HydrophobicContact CB-CD1 4.17Å; P493-I497 HydrophobicContact CB-CG1 4.25Å; I497-Y500 WeakPolarHBondContact CD1-OH 3.49Å; I497-Y500 HydrophobicContact CG2-CD2 4.44Å; I497-Y500 HydrophobicContact CG2-CE1 4.46Å; I497-Y500 HydrophobicContact CG2-CE2 3.88Å; I497-A541 HydrophobicContact CD1-CB 4.44Å; I497-A541 HydrophobicContact CG2-CB 4.14Å | ||
| 498 | L | 85.1 | Confident | 84.4 | Confident | 84 Ų | 84 | 54.9 Ų | 54.9 | 44% | 0.44 | 28% | 0.278 | S | S | . | . | trans | -96.5 | -40.9 | -176.2 | -57.1 | -179.6 | 0 | 0 | 0 | 112.3 | V496 R542 | V496-L498 PolarHBondContact O-N 3.16Å; L498-R542 PolarHBondContact N-O 3.03Å | ||
| 499 | E | 88 | Confident | 83.6 | Confident | 37 Ų | 37 | 53 Ų | 53 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 162.1 | -178.4 | 58.7 | -178.6 | -168.6 | 0 | 0 | 110.9 | K518 R542 | E499-K518 IonicContact OE1-NZ 2.68Å; E499-K518 PolarHBondContact OE1-NZ 2.84Å; E499-K518 IonicContact OE2-NZ 2.62Å; E499-R542 HydrophobicContact CG-CB 4.04Å; E499-R542 HydrophobicContact CG-CG 4.42Å; E499-R542 PolarHBondContact O-N 3.28Å; E499-R542 VanDerWaalsContact OE1-CD 3.26Å; E499-R542 WeakPolarHBondContact OE1-CD 3.49Å; E499-R542 IonicContact OE1-CZ 2.86Å; E499-R542 IonicContact OE1-NE 2.84Å; E499-R542 IonicContact OE1-NH1 3.21Å; E499-R542 PolarHBondContact OE1-NH1 3.39Å |
| 500 | Y | 90.8 | Very high | 82.3 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 131.8 | 170.1 | -65 | -91.9 | 0 | 0 | 0 | 109.6 | V470 W487 E489 I497 K518 T519 T522 V539 R540 A541 | V470-Y500 HydrophobicContact CG2-CD1 4.49Å; V470-Y500 HydrophobicContact CG2-CE1 4.29Å; W487-Y500 AromaticContact CD1-CD1 4Å; W487-Y500 AromaticContact CD1-CE1 3.85Å; W487-Y500 HydrophobicContact CZ2-CD1 4.41Å; W487-Y500 HydrophobicContact CZ2-CG 4.02Å; W487-Y500 AromaticContact NE1-CD1 3.17Å; W487-Y500 AromaticContact NE1-CD2 3.96Å; W487-Y500 AromaticContact NE1-CE1 3.38Å; W487-Y500 AromaticContact NE1-CG 3.49Å; W487-Y500 AromaticContact NE1-CZ 3.9Å; E489-Y500 WeakPolarHBondContact CG-OH 3.32Å; E489-Y500 PolarHBondContact OE1-OH 2.67Å; I497-Y500 WeakPolarHBondContact CD1-OH 3.49Å; I497-Y500 HydrophobicContact CG2-CD2 4.44Å; I497-Y500 HydrophobicContact CG2-CE1 4.46Å; I497-Y500 HydrophobicContact CG2-CE2 3.88Å; Y500-K518 WeakPolarHBondContact O-CA 3.4Å; Y500-T519 PolarHBondContact N-O 2.84Å; Y500-T519 PolarHBondContact O-N 2.89Å; Y500-T522 HydrophobicContact CE2-CG2 4.02Å; Y500-V539 HydrophobicContact CD1-CG1 4.06Å; Y500-R540 CarbonylContact C-O 3.57Å; Y500-R540 VanDerWaalsContact CA-O 3.25Å; Y500-R540 WeakPolarHBondContact CA-O 3.45Å; Y500-A541 HydrophobicContact CD1-CB 3.85Å; Y500-A541 HydrophobicContact CE1-CB 3.67Å |
| 501 | D | 90.1 | Very high | 81 | Confident | 9 Ų | 9 | 63 Ų | 63 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.4 | 170.5 | -66.4 | -28.4 | 0 | 0 | 0 | 109.1 | K518 V539 R540 | D501-K518 WeakPolarHBondContact OD1-CE 3.33Å; D501-K518 WeakPolarHBondContact OD1-CG 3.02Å; D501-K518 IonicContact OD1-NZ 2.7Å; D501-K518 PolarHBondContact OD1-NZ 2.84Å; D501-K518 IonicContact OD2-NZ 3.5Å; D501-V539 WeakPolarHBondContact O-CA 3.44Å; D501-R540 HydrophobicContact CB-CG 3.79Å; D501-R540 PolarHBondContact N-O 2.88Å; D501-R540 PolarHBondContact O-N 2.84Å; D501-R540 IonicContact OD2-CZ 3.53Å; D501-R540 IonicContact OD2-NE 3.14Å; D501-R540 PolarHBondContact OD2-NE 2.9Å; D501-R540 IonicContact OD2-NH2 2.79Å; D501-R540 PolarHBondContact OD2-NH2 3Å |
| 502 | L | 90.4 | Very high | 80 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.6 | 168.7 | 177.1 | 72.9 | 0 | 0 | 0 | 109.1 | L485 T516 L517 A524 V526 F537 Q538 V539 | L485-L502 HydrophobicContact CD1-CD1 3.61Å; L485-L502 HydrophobicContact CD1-CD2 4.04Å; L485-L502 HydrophobicContact CD1-CG 4.5Å; L502-T516 CarbonylContact O-C 3.6Å; L502-T516 VanDerWaalsContact O-CA 3.23Å; L502-T516 WeakPolarHBondContact O-CA 3.21Å; L502-L517 HydrophobicContact CB-CB 4.39Å; L502-L517 HydrophobicContact CD2-CB 4.43Å; L502-L517 HydrophobicContact CD2-CD2 4.26Å; L502-L517 PolarHBondContact N-O 3.49Å; L502-L517 PolarHBondContact O-N 2.71Å; L502-A524 HydrophobicContact CD2-CB 4.16Å; L502-V526 HydrophobicContact CD2-CG2 3.35Å; L502-F537 HydrophobicContact CD1-CB 4.36Å; L502-F537 HydrophobicContact CD1-CD1 4.34Å; L502-Q538 CarbonylContact C-O 3.55Å; L502-Q538 WeakPolarHBondContact CA-O 3.3Å; L502-V539 HydrophobicContact CD1-CG2 3.43Å; L502-V539 VanDerWaalsContact CD1-CG2 3.43Å |
| 503 | K | 89.9 | Confident | 79.4 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 19% | 0.191 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 137.2 | 172.1 | 175.3 | -176.3 | 165.9 | -145.5 | 0 | 109.3 | Y514 S515 T516 F537 Q538 F550 | K503-Y514 HydrophobicContact CD-CD2 4.11Å; K503-Y514 HydrophobicContact CD-CG 4.35Å; K503-Y514 HydrophobicContact CG-CD2 3.91Å; K503-Y514 HydrophobicContact CG-CG 4.32Å; K503-S515 WeakPolarHBondContact CA-O 3.29Å; K503-T516 HydrophobicContact CB-CG2 4.32Å; K503-F537 WeakPolarHBondContact O-CA 3.16Å; K503-Q538 HydrophobicContact CB-CB 4.47Å; K503-Q538 PolarHBondContact N-O 2.98Å; K503-Q538 VanDerWaalsContact NZ-OE1 3.1Å; K503-Q538 PolarHBondContact O-N 2.94Å; K503-F550 HydrophobicContact CB-CD1 4.43Å; K503-F550 HydrophobicContact CB-CE1 3.69Å; K503-F550 HydrophobicContact CB-CZ 3.89Å; K503-F550 HydrophobicContact CD-CE2 4.39Å; K503-F550 HydrophobicContact CD-CZ 4.25Å |
| 504 | Y | 90.1 | Very high | 79.7 | Confident | 38 Ų | 38 | 68.8 Ų | 68.8 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 149.6 | 175.2 | 67.6 | -82.9 | 0 | 0 | 0 | 113.3 | S515 V526 L529 Y535 I536 F537 | Y504-S515 VanDerWaalsContact CE1-CB 3.5Å; Y504-S515 PolarHBondContact N-O 2.91Å; Y504-S515 PolarHBondContact O-N 3.08Å; Y504-S515 WeakPolarHBondContact OH-CB 3.37Å; Y504-V526 HydrophobicContact CD1-CG1 4.05Å; Y504-V526 HydrophobicContact CD1-CG2 4.43Å; Y504-V526 HydrophobicContact CD2-CG1 4.06Å; Y504-V526 HydrophobicContact CE1-CG1 3.65Å; Y504-V526 HydrophobicContact CE1-CG2 4.47Å; Y504-V526 HydrophobicContact CE2-CG1 3.66Å; Y504-V526 HydrophobicContact CG-CG1 4.24Å; Y504-V526 VanDerWaalsContact CZ-CG1 3.43Å; Y504-L529 HydrophobicContact CD2-CD2 3.94Å; Y504-L529 HydrophobicContact CE2-CD2 3.67Å; Y504-Y535 HydrophobicContact CD2-CD1 4.24Å; Y504-I536 WeakPolarHBondContact CA-O 3.49Å; Y504-I536 WeakPolarHBondContact CB-O 3.41Å; Y504-F537 VanDerWaalsContact CB-CD1 3.44Å; Y504-F537 HydrophobicContact CD2-CE1 4.39Å; Y504-F537 HydrophobicContact CG-CD1 4.25Å; Y504-F537 AromaticContact CG-CE1 3.99Å; Y504-F537 HydrophobicContact CG-CE1 3.99Å |
| 505 | Y | 87.9 | Confident | 80.1 | Confident | 24 Ų | 24 | 70 Ų | 70 | 9% | 0.094 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 161.6 | -178.4 | 57.2 | -84 | 0 | 0 | 0 | 111.4 | E510 Y535 I536 | Y505-E510 HydrophobicContact CE2-CB 4.42Å; Y505-E510 HydrophobicContact CE2-CG 4.11Å; Y505-Y535 CarbonylContact O-C 3.6Å; Y505-Y535 VanDerWaalsContact O-CA 3.27Å; Y505-Y535 WeakPolarHBondContact O-CA 3.11Å; Y505-Y535 WeakPolarHBondContact O-CD1 3.44Å; Y505-I536 HydrophobicContact CD1-CB 4.35Å; Y505-I536 HydrophobicContact CD2-CB 4.33Å; Y505-I536 HydrophobicContact CE1-CB 3.88Å; Y505-I536 HydrophobicContact CE1-CG2 3.83Å; Y505-I536 HydrophobicContact CE2-CB 3.86Å; Y505-I536 HydrophobicContact CE2-CG1 3.91Å; Y505-I536 HydrophobicContact CE2-CG2 4.38Å; Y505-I536 PolarHBondContact N-O 3.25Å; Y505-I536 VanDerWaalsContact N-O 3.15Å; Y505-I536 PolarHBondContact O-N 2.69Å |
| 506 | E | 87.3 | Confident | 80.4 | Confident | 42 Ų | 42 | 73.7 Ų | 73.7 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130.1 | 177 | -68.7 | 175 | -162.7 | 0 | 0 | 109.8 | D508 N509 K530 T533 Y535 | E506-D508 PolarHBondContact O-N 3.49Å; E506-N509 HydrophobicContact CB-CB 4.36Å; E506-N509 PolarHBondContact O-N 3.28Å; E506-K530 WeakPolarHBondContact OE1-CD 3.32Å; E506-K530 WeakPolarHBondContact OE1-CE 3.47Å; E506-K530 IonicContact OE1-NZ 3.58Å; E506-K530 PolarHBondContact OE1-NZ 2.85Å; E506-K530 IonicContact OE2-NZ 2.65Å; E506-K530 PolarHBondContact OE2-NZ 2.96Å; E506-T533 HydrophobicContact CB-CG2 4.36Å; E506-T533 HydrophobicContact CG-CG2 3.87Å; E506-Y535 HydrophobicContact CB-CE1 4.37Å; E506-Y535 HydrophobicContact CG-CD1 3.85Å; E506-Y535 HydrophobicContact CG-CE1 3.2Å; E506-Y535 HydrophobicContact CG-CE2 4.38Å; E506-Y535 VanDerWaalsContact CG-CZ 3.49Å; E506-Y535 PolarHBondContact OE1-OH 2.94Å |
| 507 | K | 82 | Confident | 80.7 | Confident | 76 Ų | 76 | 72.5 Ų | 72.5 | 33% | 0.33 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -33.8 | -173.1 | -179.9 | 172.4 | 176.7 | 172.4 | 0 | 113.2 | N509 E510 K534 I536 E555 | K507-N509 VanDerWaalsContact C-N 3.27Å; K507-N509 PolarHBondContact O-N 3.49Å; K507-E510 WeakPolarHBondContact O-CG 3.48Å; K507-K534 HydrophobicContact CB-CB 4.01Å; K507-K534 HydrophobicContact CD-CB 4.49Å; K507-K534 PolarHBondContact N-O 2.8Å; K507-I536 HydrophobicContact CB-CD1 4.37Å; K507-I536 HydrophobicContact CB-CG1 4.18Å; K507-I536 HydrophobicContact CD-CD1 4.22Å; K507-I536 HydrophobicContact CG-CD1 4.29Å; K507-I536 HydrophobicContact CG-CG1 4.39Å; K507-E555 HydrophobicContact CD-CG 4.24Å; K507-E555 WeakPolarHBondContact CD-OE1 3.44Å; K507-E555 IonicContact NZ-OE1 3.92Å; K507-E555 PolarHBondContact NZ-OE1 2.77Å; K507-E555 VanDerWaalsContact NZ-OE1 3.14Å; K507-E555 IonicContact NZ-OE2 3.59Å; K507-E555 PolarHBondContact NZ-OE2 2.9Å |
| 508 | D | 73.5 | Confident | 81 | Confident | 138 Ų | 138 | 76.1 Ų | 76.1 | 74% | 0.738 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 5.6 | -177.3 | -50.5 | -50.6 | 0 | 0 | 0 | 113 | E506 | E506-D508 PolarHBondContact O-N 3.49Š|
| 509 | N | 70.6 | Confident | 81.1 | Confident | 61 Ų | 61 | 73.5 Ų | 73.5 | 33% | 0.326 | 36% | 0.364 | S | S | . | . | trans | -140.1 | 48.1 | -174.4 | -164.3 | 22.5 | 0 | 0 | 0 | 112.3 | E506 K507 E511 | E506-N509 HydrophobicContact CB-CB 4.36Å; E506-N509 PolarHBondContact O-N 3.28Å; K507-N509 VanDerWaalsContact C-N 3.27Å; K507-N509 PolarHBondContact O-N 3.49Å; N509-E511 PolarHBondContact O-N 3.23Å; N509-E511 VanDerWaalsContact O-N 3.08Å | ||
| 510 | E | 60.1 | Low | 81.1 | Confident | 133 Ų | 133 | 81.7 Ų | 81.7 | 62% | 0.621 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.2 | -169.9 | -56.1 | -161.8 | 121.3 | 0 | 0 | 114.9 | Y505 K507 | Y505-E510 HydrophobicContact CE2-CB 4.42Å; Y505-E510 HydrophobicContact CE2-CG 4.11Å; K507-E510 WeakPolarHBondContact O-CG 3.48Å |
| 511 | E | 56 | Low | 80.9 | Confident | 191 Ų | 191 | 86.7 Ų | 86.7 | 89% | 0.893 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | -7.1 | -167.4 | -62.7 | -166.4 | 150 | 0 | 0 | 116.4 | N509 | N509-E511 PolarHBondContact O-N 3.23Å; N509-E511 VanDerWaalsContact O-N 3.08Å |
| 512 | Q | 59.6 | Low | 80.9 | Confident | 166 Ų | 166 | 88.8 Ų | 88.8 | 78% | 0.776 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | -23 | -170.5 | -67.3 | -167.2 | -3.2 | 0 | 0 | 117.7 | ||
| 513 | S | 65.5 | Low | 80.8 | Confident | 84 Ų | 84 | 90.9 Ų | 90.9 | 59% | 0.587 | 45% | 0.448 | S | S | * | . | trans | -162.4 | 142.6 | 164 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 514 | Y | 81.9 | Confident | 80.7 | Confident | 153 Ų | 153 | 89.3 Ų | 89.3 | 60% | 0.6 | 44% | 0.443 | S | S | * | . | trans | -125.4 | 150.4 | 167.7 | 66.8 | -92.8 | 0 | 0 | 0 | 110 | K503 T516 | K503-Y514 HydrophobicContact CD-CD2 4.11Å; K503-Y514 HydrophobicContact CD-CG 4.35Å; K503-Y514 HydrophobicContact CG-CD2 3.91Å; K503-Y514 HydrophobicContact CG-CG 4.32Å; Y514-T516 HydrophobicContact CD2-CG2 3.92Å; Y514-T516 HydrophobicContact CE2-CG2 3.86Å | ||
| 515 | S | 85.8 | Confident | 80.7 | Confident | 57 Ų | 57 | 92.3 Ų | 92.3 | 40% | 0.399 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 153.3 | 175 | -69.3 | 0 | 0 | 0 | 0 | 110.3 | K503 Y504 | K503-S515 WeakPolarHBondContact CA-O 3.29Å; Y504-S515 VanDerWaalsContact CE1-CB 3.5Å; Y504-S515 PolarHBondContact N-O 2.91Å; Y504-S515 PolarHBondContact O-N 3.08Å; Y504-S515 WeakPolarHBondContact OH-CB 3.37Å |
| 516 | T | 86.7 | Confident | 80.7 | Confident | 88 Ų | 88 | 91.3 Ų | 91.3 | 54% | 0.54 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 147.5 | 176.1 | 55.4 | 0 | 0 | 0 | 0 | 112 | L502 K503 Y514 | L502-T516 CarbonylContact O-C 3.6Å; L502-T516 VanDerWaalsContact O-CA 3.23Å; L502-T516 WeakPolarHBondContact O-CA 3.21Å; K503-T516 HydrophobicContact CB-CG2 4.32Å; Y514-T516 HydrophobicContact CD2-CG2 3.92Å; Y514-T516 HydrophobicContact CE2-CG2 3.86Å |
| 517 | L | 89.6 | Confident | 80.7 | Confident | 62 Ų | 62 | 93.2 Ų | 93.2 | 33% | 0.325 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 135.9 | 175.6 | 177.2 | 64.1 | 0 | 0 | 0 | 108.3 | L502 A524 L525 V526 | L502-L517 HydrophobicContact CB-CB 4.39Å; L502-L517 HydrophobicContact CD2-CB 4.43Å; L502-L517 HydrophobicContact CD2-CD2 4.26Å; L502-L517 PolarHBondContact N-O 3.49Å; L502-L517 PolarHBondContact O-N 2.71Å; L517-A524 HydrophobicContact CD2-CB 4Å; L517-L525 WeakPolarHBondContact CD2-O 3.38Å; L517-V526 HydrophobicContact CD2-CG2 4.05Å |
| 518 | K | 89.3 | Confident | 80.8 | Confident | 110 Ų | 110 | 93 Ų | 93 | 48% | 0.478 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.1 | 176.2 | -64.4 | -175.3 | 170.3 | -89.1 | 0 | 110.5 | E499 Y500 D501 | E499-K518 IonicContact OE1-NZ 2.68Å; E499-K518 PolarHBondContact OE1-NZ 2.84Å; E499-K518 IonicContact OE2-NZ 2.62Å; Y500-K518 WeakPolarHBondContact O-CA 3.4Å; D501-K518 WeakPolarHBondContact OD1-CE 3.33Å; D501-K518 WeakPolarHBondContact OD1-CG 3.02Å; D501-K518 IonicContact OD1-NZ 2.7Å; D501-K518 PolarHBondContact OD1-NZ 2.84Å; D501-K518 IonicContact OD2-NZ 3.5Å |
| 519 | T | 89 | Confident | 81.4 | Confident | 28 Ų | 28 | 86.7 Ų | 86.7 | 17% | 0.172 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 153.3 | 174 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | W487 Y500 N521 S523 A524 | W487-T519 HydrophobicContact CH2-CG2 3.69Å; W487-T519 HydrophobicContact CZ2-CG2 3.56Å; Y500-T519 PolarHBondContact N-O 2.84Å; Y500-T519 PolarHBondContact O-N 2.89Å; T519-N521 WeakPolarHBondContact CG2-O 3.48Å; T519-N521 PolarHBondContact OG1-N 3.41Å; T519-N521 VanDerWaalsContact OG1-N 3.16Å; T519-N521 PolarHBondContact OG1-O 2.88Å; T519-S523 PolarHBondContact OG1-O 3.38Å; T519-A524 HydrophobicContact CG2-CB 4.22Å |
| 520 | R | 86.4 | Confident | 82 | Confident | 209 Ų | 209 | 88.9 Ų | 88.9 | 79% | 0.789 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -93 | -19.2 | 169.7 | -66.4 | -174.2 | -180 | 177.2 | 0.3 | 112.5 | ||
| 521 | N | 87.8 | Confident | 83.1 | Confident | 108 Ų | 108 | 85.5 Ų | 85.5 | 58% | 0.578 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -91.4 | 159.5 | -178.9 | -61.2 | 4.7 | 0 | 0 | 0 | 109.5 | T519 S523 | T519-N521 WeakPolarHBondContact CG2-O 3.48Å; T519-N521 PolarHBondContact OG1-N 3.41Å; T519-N521 VanDerWaalsContact OG1-N 3.16Å; T519-N521 PolarHBondContact OG1-O 2.88Å; N521-S523 PolarHBondContact O-N 3.4Å |
| 522 | T | 89.1 | Confident | 84.3 | Confident | 52 Ų | 52 | 77.4 Ų | 77.4 | 32% | 0.319 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -77 | 25.6 | 174.2 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | M486 W487 E489 Y500 | M486-T522 CarbonylContact C-O 3.58Å; M486-T522 WeakPolarHBondContact CA-O 3.35Å; W487-T522 PolarHBondContact N-O 3.37Å; W487-T522 WeakPolarHBondContact O-CB 3.04Å; E489-T522 HydrophobicContact CG-CG2 4.1Å; Y500-T522 HydrophobicContact CE2-CG2 4.02Å |
| 523 | S | 87.9 | Confident | 85.5 | Confident | 45 Ų | 45 | 70.9 Ų | 70.9 | 32% | 0.315 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 149.6 | 179 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | L485 T519 N521 | L485-S523 CarbonylContact O-C 3.56Å; L485-S523 VanDerWaalsContact O-CA 3.24Å; L485-S523 WeakPolarHBondContact O-CA 3.32Å; T519-S523 PolarHBondContact OG1-O 3.38Å; N521-S523 PolarHBondContact O-N 3.4Å |
| 524 | A | 88.6 | Confident | 86.7 | Confident | 10 Ų | 10 | 70.3 Ų | 70.3 | 8% | 0.083 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 142.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | T484 L485 W487 L502 L517 T519 | T484-A524 WeakPolarHBondContact CA-O 3.36Å; L485-A524 PolarHBondContact N-O 2.8Å; L485-A524 PolarHBondContact O-N 2.98Å; W487-A524 HydrophobicContact CH2-CB 3.77Å; W487-A524 HydrophobicContact CZ3-CB 4.1Å; L502-A524 HydrophobicContact CD2-CB 4.16Å; L517-A524 HydrophobicContact CD2-CB 4Å; T519-A524 HydrophobicContact CG2-CB 4.22Å |
| 525 | L | 89.8 | Confident | 87 | Confident | 101 Ų | 101 | 63.6 Ų | 63.6 | 53% | 0.529 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.9 | 169.1 | 172.4 | 65.7 | 0 | 0 | 0 | 109.2 | T484 L517 | T484-L525 WeakPolarHBondContact OG1-CD1 3.46Å; L517-L525 WeakPolarHBondContact CD2-O 3.38Å |
| 526 | V | 89.3 | Confident | 87.2 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 124.1 | 172 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | S482 V483 L502 Y504 L517 L529 F537 | S482-V526 CarbonylContact C-O 3.59Å; S482-V526 WeakPolarHBondContact CA-O 3.4Å; S482-V526 WeakPolarHBondContact CB-O 3.41Å; V483-V526 PolarHBondContact N-O 3.17Å; V483-V526 PolarHBondContact O-N 2.85Å; L502-V526 HydrophobicContact CD2-CG2 3.35Å; Y504-V526 HydrophobicContact CD1-CG1 4.05Å; Y504-V526 HydrophobicContact CD1-CG2 4.43Å; Y504-V526 HydrophobicContact CD2-CG1 4.06Å; Y504-V526 HydrophobicContact CE1-CG1 3.65Å; Y504-V526 HydrophobicContact CE1-CG2 4.47Å; Y504-V526 HydrophobicContact CE2-CG1 3.66Å; Y504-V526 HydrophobicContact CG-CG1 4.24Å; Y504-V526 VanDerWaalsContact CZ-CG1 3.43Å; L517-V526 HydrophobicContact CD2-CG2 4.05Å; V526-L529 HydrophobicContact CG1-CD1 4.33Å; V526-L529 HydrophobicContact CG1-CD2 3.85Å; V526-L529 HydrophobicContact CG1-CG 4.22Å; V526-F537 HydrophobicContact CB-CE1 4.21Å; V526-F537 HydrophobicContact CG1-CE1 4.31Å; V526-F537 HydrophobicContact CG2-CE1 3.99Å |
| 527 | S | 87 | Confident | 87.4 | Confident | 82 Ų | 82 | 57 Ų | 57 | 57% | 0.573 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 160 | -177.4 | 58.5 | 0 | 0 | 0 | 0 | 111.9 | N481 | N481-S527 CarbonylContact O-C 3.47Å |
| 528 | G | 82.6 | Confident | 87.4 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 73% | 0.732 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 86.2 | 17.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N481 | N481-G528 PolarHBondContact O-N 3.25Š|
| 529 | L | 87.2 | Confident | 87.5 | Confident | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -73 | 150.7 | 177.8 | -57.6 | 176.5 | 0 | 0 | 0 | 111.4 | N481 V483 Y504 V526 Y535 F537 T558 | N481-L529 WeakPolarHBondContact CA-O 3.47Å; N481-L529 WeakPolarHBondContact CB-O 3.28Å; N481-L529 PolarHBondContact O-N 3.23Å; V483-L529 HydrophobicContact CB-CD1 4.05Å; V483-L529 HydrophobicContact CG2-CD1 3.66Å; Y504-L529 HydrophobicContact CD2-CD2 3.94Å; Y504-L529 HydrophobicContact CE2-CD2 3.67Å; V526-L529 HydrophobicContact CG1-CD1 4.33Å; V526-L529 HydrophobicContact CG1-CD2 3.85Å; V526-L529 HydrophobicContact CG1-CG 4.22Å; L529-Y535 HydrophobicContact CB-CD2 4.35Å; L529-Y535 HydrophobicContact CB-CE2 3.74Å; L529-Y535 HydrophobicContact CD1-CD2 4.37Å; L529-Y535 HydrophobicContact CD2-CD1 3.94Å; L529-Y535 HydrophobicContact CD2-CD2 4.21Å; L529-Y535 HydrophobicContact CD2-CE1 3.72Å; L529-Y535 HydrophobicContact CD2-CE2 4Å; L529-Y535 HydrophobicContact CD2-CG 4.2Å; L529-Y535 HydrophobicContact CG-CE2 4.31Å; L529-F537 HydrophobicContact CD1-CZ 4.17Å; L529-T558 HydrophobicContact CB-CG2 3.84Å; L529-T558 HydrophobicContact CD1-CG2 4Å |
| 530 | K | 83.7 | Confident | 87.7 | Confident | 107 Ų | 107 | 52 Ų | 52 | 47% | 0.465 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 139.9 | 175.7 | -68.7 | 178.7 | -169.1 | 154.9 | 0 | 111.1 | E506 T533 Y535 T558 | E506-K530 WeakPolarHBondContact OE1-CD 3.32Å; E506-K530 WeakPolarHBondContact OE1-CE 3.47Å; E506-K530 IonicContact OE1-NZ 3.58Å; E506-K530 PolarHBondContact OE1-NZ 2.85Å; E506-K530 IonicContact OE2-NZ 2.65Å; E506-K530 PolarHBondContact OE2-NZ 2.96Å; K530-T533 HydrophobicContact CB-CG2 4.49Å; K530-T533 WeakPolarHBondContact CB-OG1 3.45Å; K530-Y535 WeakPolarHBondContact CB-OH 3.34Å; K530-Y535 PolarHBondContact N-OH 3.06Å; K530-T558 WeakPolarHBondContact O-CB 3.4Å; K530-T558 PolarHBondContact O-OG1 3.47Å |
| 531 | P | 81.7 | Confident | 87.7 | Confident | 62 Ų | 62 | 42 Ų | 42 | 40% | 0.403 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 136 | 174.7 | -22 | 33.6 | 0 | 0 | 0 | 113.9 | Q480 T533 G559 A561 | Q480-P531 VanDerWaalsContact O-CA 3.24Å; Q480-P531 WeakPolarHBondContact O-CA 3.46Å; Q480-P531 WeakPolarHBondContact O-CG 3.31Å; P531-T533 VanDerWaalsContact C-N 3.25Å; P531-T533 PolarHBondContact O-N 2.85Å; P531-G559 CarbonylContact C-O 3.38Å; P531-G559 WeakPolarHBondContact CA-O 3.36Å; P531-G559 WeakPolarHBondContact CB-O 3.3Å; P531-A561 HydrophobicContact CB-CB 3.64Å; P531-A561 HydrophobicContact CG-CB 3.96Å |
| 532 | G | 81.3 | Confident | 87.6 | Confident | 21 Ų | 21 | 41.5 Ų | 41.5 | 22% | 0.216 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -1.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q557 T558 G559 | G532-Q557 PolarHBondContact O-NE2 2.91Å; G532-T558 VanDerWaalsContact CA-O 3.23Å; G532-T558 WeakPolarHBondContact CA-O 3.46Å; G532-T558 PolarHBondContact N-O 2.65Å; G532-T558 PolarHBondContact N-OG1 2.98Å; G532-G559 PolarHBondContact N-O 3.36Å |
| 533 | T | 86.3 | Confident | 87.4 | Confident | 29 Ų | 29 | 39 Ų | 39 | 18% | 0.178 | 22% | 0.223 | C | C | . | . | trans | -92.4 | 146 | -170.8 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | E506 K530 P531 Y535 Q557 T558 | E506-T533 HydrophobicContact CB-CG2 4.36Å; E506-T533 HydrophobicContact CG-CG2 3.87Å; K530-T533 HydrophobicContact CB-CG2 4.49Å; K530-T533 WeakPolarHBondContact CB-OG1 3.45Å; P531-T533 VanDerWaalsContact C-N 3.25Å; P531-T533 PolarHBondContact O-N 2.85Å; T533-Y535 HydrophobicContact CG2-CD2 4.3Å; T533-Y535 HydrophobicContact CG2-CE2 3.78Å; T533-Q557 WeakPolarHBondContact O-CA 3.47Å; T533-T558 PolarHBondContact N-OG1 2.77Å; T533-T558 PolarHBondContact O-N 2.84Å; T533-T558 PolarHBondContact O-OG1 2.95Å | ||
| 534 | K | 89 | Confident | 87 | Confident | 72 Ų | 72 | 40.9 Ų | 40.9 | 31% | 0.313 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 126.8 | 175.1 | -73.4 | 174.5 | 160 | -140.2 | 0 | 110.4 | K507 E555 Q557 | K507-K534 HydrophobicContact CB-CB 4.01Å; K507-K534 HydrophobicContact CD-CB 4.49Å; K507-K534 PolarHBondContact N-O 2.8Å; K534-E555 WeakPolarHBondContact CD-OE1 3.4Å; K534-E555 WeakPolarHBondContact CE-OE1 3.41Å; K534-E555 IonicContact NZ-OE1 2.79Å; K534-E555 PolarHBondContact NZ-OE1 3.49Å; K534-Q557 HydrophobicContact CG-CB 3.97Å; K534-Q557 HydrophobicContact CG-CG 3.92Å |
| 535 | Y | 89.1 | Confident | 86.2 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 4% | 0.043 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 142.8 | 176.7 | -73.9 | -90.2 | 0 | 0 | 0 | 110.6 | Y504 Y505 E506 L529 K530 T533 F537 E555 I556 T558 | Y504-Y535 HydrophobicContact CD2-CD1 4.24Å; Y505-Y535 CarbonylContact O-C 3.6Å; Y505-Y535 VanDerWaalsContact O-CA 3.27Å; Y505-Y535 WeakPolarHBondContact O-CA 3.11Å; Y505-Y535 WeakPolarHBondContact O-CD1 3.44Å; E506-Y535 HydrophobicContact CB-CE1 4.37Å; E506-Y535 HydrophobicContact CG-CD1 3.85Å; E506-Y535 HydrophobicContact CG-CE1 3.2Å; E506-Y535 HydrophobicContact CG-CE2 4.38Å; E506-Y535 VanDerWaalsContact CG-CZ 3.49Å; E506-Y535 PolarHBondContact OE1-OH 2.94Å; L529-Y535 HydrophobicContact CB-CD2 4.35Å; L529-Y535 HydrophobicContact CB-CE2 3.74Å; L529-Y535 HydrophobicContact CD1-CD2 4.37Å; L529-Y535 HydrophobicContact CD2-CD1 3.94Å; L529-Y535 HydrophobicContact CD2-CD2 4.21Å; L529-Y535 HydrophobicContact CD2-CE1 3.72Å; L529-Y535 HydrophobicContact CD2-CE2 4Å; L529-Y535 HydrophobicContact CD2-CG 4.2Å; L529-Y535 HydrophobicContact CG-CE2 4.31Å; K530-Y535 WeakPolarHBondContact CB-OH 3.34Å; K530-Y535 PolarHBondContact N-OH 3.06Å; T533-Y535 HydrophobicContact CG2-CD2 4.3Å; T533-Y535 HydrophobicContact CG2-CE2 3.78Å; Y535-F537 VanDerWaalsContact CB-CE2 3.46Å; Y535-F537 HydrophobicContact CG-CZ 4.47Å; Y535-E555 WeakPolarHBondContact O-CA 3.4Å; Y535-I556 PolarHBondContact N-O 2.94Å; Y535-I556 PolarHBondContact O-N 3.18Å; Y535-T558 HydrophobicContact CD2-CG2 4.23Å; Y535-T558 HydrophobicContact CE2-CG2 4.29Å |
| 536 | I | 89.6 | Confident | 85.6 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 136.2 | 168.1 | -57.3 | -58.4 | 0 | 0 | 0 | 108.7 | Y504 Y505 K507 N553 V554 E555 | Y504-I536 WeakPolarHBondContact CA-O 3.49Å; Y504-I536 WeakPolarHBondContact CB-O 3.41Å; Y505-I536 HydrophobicContact CD1-CB 4.35Å; Y505-I536 HydrophobicContact CD2-CB 4.33Å; Y505-I536 HydrophobicContact CE1-CB 3.88Å; Y505-I536 HydrophobicContact CE1-CG2 3.83Å; Y505-I536 HydrophobicContact CE2-CB 3.86Å; Y505-I536 HydrophobicContact CE2-CG1 3.91Å; Y505-I536 HydrophobicContact CE2-CG2 4.38Å; Y505-I536 PolarHBondContact N-O 3.25Å; Y505-I536 VanDerWaalsContact N-O 3.15Å; Y505-I536 PolarHBondContact O-N 2.69Å; K507-I536 HydrophobicContact CB-CD1 4.37Å; K507-I536 HydrophobicContact CB-CG1 4.18Å; K507-I536 HydrophobicContact CD-CD1 4.22Å; K507-I536 HydrophobicContact CG-CD1 4.29Å; K507-I536 HydrophobicContact CG-CG1 4.39Å; I536-N553 HydrophobicContact CG2-CB 3.68Å; I536-V554 CarbonylContact C-O 3.53Å; I536-V554 WeakPolarHBondContact CA-O 3.25Å; I536-E555 HydrophobicContact CD1-CB 3.75Å; I536-E555 HydrophobicContact CD1-CG 4.06Å |
| 537 | F | 90.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.8 | 177.2 | -62.2 | -92.1 | 0 | 0 | 0 | 111.3 | V483 L485 L502 K503 Y504 V526 L529 Y535 V554 I556 | V483-F537 HydrophobicContact CB-CZ 4.07Å; V483-F537 HydrophobicContact CG1-CE2 4.33Å; V483-F537 HydrophobicContact CG1-CZ 4.17Å; V483-F537 HydrophobicContact CG2-CZ 4.2Å; L485-F537 HydrophobicContact CD1-CB 3.83Å; L485-F537 HydrophobicContact CD1-CD1 3.57Å; L485-F537 HydrophobicContact CD1-CE1 4.3Å; L485-F537 HydrophobicContact CD1-CG 3.76Å; L502-F537 HydrophobicContact CD1-CB 4.36Å; L502-F537 HydrophobicContact CD1-CD1 4.34Å; K503-F537 WeakPolarHBondContact O-CA 3.16Å; Y504-F537 VanDerWaalsContact CB-CD1 3.44Å; Y504-F537 HydrophobicContact CD2-CE1 4.39Å; Y504-F537 HydrophobicContact CG-CD1 4.25Å; Y504-F537 AromaticContact CG-CE1 3.99Å; Y504-F537 HydrophobicContact CG-CE1 3.99Å; V526-F537 HydrophobicContact CB-CE1 4.21Å; V526-F537 HydrophobicContact CG1-CE1 4.31Å; V526-F537 HydrophobicContact CG2-CE1 3.99Å; L529-F537 HydrophobicContact CD1-CZ 4.17Å; Y535-F537 VanDerWaalsContact CB-CE2 3.46Å; Y535-F537 HydrophobicContact CG-CZ 4.47Å; F537-V554 PolarHBondContact N-O 2.88Å; F537-V554 PolarHBondContact O-N 3.27Å; F537-I556 HydrophobicContact CD2-CB 4.33Å; F537-I556 HydrophobicContact CD2-CD1 3.98Å; F537-I556 HydrophobicContact CD2-CG1 4.27Å; F537-I556 HydrophobicContact CE2-CB 3.97Å; F537-I556 HydrophobicContact CE2-CD1 4.14Å; F537-I556 HydrophobicContact CE2-CG1 4.36Å |
| 538 | Q | 90.9 | Very high | 85 | Confident | 26 Ų | 26 | 38.2 Ų | 38.2 | 12% | 0.121 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 135.9 | 177.5 | -58.3 | -178.8 | -62.4 | 0 | 0 | 110.3 | L502 K503 F550 S551 N553 | L502-Q538 CarbonylContact C-O 3.55Å; L502-Q538 WeakPolarHBondContact CA-O 3.3Å; K503-Q538 HydrophobicContact CB-CB 4.47Å; K503-Q538 PolarHBondContact N-O 2.98Å; K503-Q538 VanDerWaalsContact NZ-OE1 3.1Å; K503-Q538 PolarHBondContact O-N 2.94Å; Q538-F550 HydrophobicContact CB-CB 4.13Å; Q538-F550 HydrophobicContact CB-CD1 3.77Å; Q538-F550 HydrophobicContact CB-CG 4.19Å; Q538-S551 WeakPolarHBondContact CA-OG 3.48Å; Q538-N553 WeakPolarHBondContact CG-OD1 3.43Å; Q538-N553 PolarHBondContact NE2-OD1 2.88Å |
| 539 | V | 91.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 141.3 | 177.6 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | V470 I473 W487 Y500 D501 L502 F550 S551 | V470-V539 HydrophobicContact CG2-CG1 4.22Å; I473-V539 HydrophobicContact CD1-CB 3.82Å; I473-V539 HydrophobicContact CD1-CG2 3.57Å; I473-V539 HydrophobicContact CG1-CB 4.37Å; I473-V539 HydrophobicContact CG1-CG2 4.08Å; W487-V539 HydrophobicContact CD2-CG1 3.96Å; W487-V539 HydrophobicContact CD2-CG2 4.03Å; W487-V539 HydrophobicContact CE3-CG1 4.48Å; W487-V539 HydrophobicContact CE3-CG2 3.76Å; W487-V539 HydrophobicContact CG-CG1 4.31Å; W487-V539 HydrophobicContact CH2-CG1 4.46Å; W487-V539 HydrophobicContact CH2-CG2 4.18Å; W487-V539 HydrophobicContact CZ2-CG1 3.95Å; W487-V539 HydrophobicContact CZ2-CG2 4.45Å; W487-V539 HydrophobicContact CZ3-CG2 3.84Å; Y500-V539 HydrophobicContact CD1-CG1 4.06Å; D501-V539 WeakPolarHBondContact O-CA 3.44Å; L502-V539 HydrophobicContact CD1-CG2 3.43Å; L502-V539 VanDerWaalsContact CD1-CG2 3.43Å; V539-F550 CarbonylContact O-C 3.56Å; V539-S551 PolarHBondContact N-OG 2.86Å; V539-S551 WeakPolarHBondContact O-CB 3.43Å; V539-S551 PolarHBondContact O-N 2.89Å |
| 540 | R | 91.4 | Very high | 85.1 | Confident | 69 Ų | 69 | 47 Ų | 47 | 26% | 0.26 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150.7 | 164.2 | 64.2 | -177.4 | -172.2 | -172.7 | -0.1 | 111.3 | Y500 D501 G548 R549 F550 | Y500-R540 CarbonylContact C-O 3.57Å; Y500-R540 VanDerWaalsContact CA-O 3.25Å; Y500-R540 WeakPolarHBondContact CA-O 3.45Å; D501-R540 HydrophobicContact CB-CG 3.79Å; D501-R540 PolarHBondContact N-O 2.88Å; D501-R540 PolarHBondContact O-N 2.84Å; D501-R540 IonicContact OD2-CZ 3.53Å; D501-R540 IonicContact OD2-NE 3.14Å; D501-R540 PolarHBondContact OD2-NE 2.9Å; D501-R540 IonicContact OD2-NH2 2.79Å; D501-R540 PolarHBondContact OD2-NH2 3Å; R540-G548 WeakPolarHBondContact CD-O 3.41Å; R540-R549 WeakPolarHBondContact CB-O 3.42Å; R540-F550 HydrophobicContact CB-CD1 3.95Å; R540-F550 HydrophobicContact CB-CE1 4.27Å; R540-F550 HydrophobicContact CB-CG 4.32Å; R540-F550 HydrophobicContact CG-CD1 3.89Å; R540-F550 HydrophobicContact CG-CE1 3.68Å; R540-F550 HydrophobicContact CG-CG 4.43Å; R540-F550 HydrophobicContact CG-CZ 4.06Å |
| 541 | A | 88.2 | Confident | 85.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 158.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P467 P490 I497 Y500 G548 | P467-A541 HydrophobicContact CB-CB 3.94Å; P467-A541 HydrophobicContact CG-CB 3.87Å; P490-A541 HydrophobicContact CG-CB 3.58Å; I497-A541 HydrophobicContact CD1-CB 4.44Å; I497-A541 HydrophobicContact CG2-CB 4.14Å; Y500-A541 HydrophobicContact CD1-CB 3.85Å; Y500-A541 HydrophobicContact CE1-CB 3.67Å; A541-G548 PolarHBondContact O-N 2.83Å |
| 542 | R | 84.6 | Confident | 85.6 | Confident | 97 Ų | 97 | 46 Ų | 46 | 37% | 0.366 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 134.3 | 177.3 | 177.2 | -177 | 174.3 | -170.5 | 0.2 | 111.7 | L498 E499 G546 | L498-R542 PolarHBondContact N-O 3.03Å; E499-R542 HydrophobicContact CG-CB 4.04Å; E499-R542 HydrophobicContact CG-CG 4.42Å; E499-R542 PolarHBondContact O-N 3.28Å; E499-R542 VanDerWaalsContact OE1-CD 3.26Å; E499-R542 WeakPolarHBondContact OE1-CD 3.49Å; E499-R542 IonicContact OE1-CZ 2.86Å; E499-R542 IonicContact OE1-NE 2.84Å; E499-R542 IonicContact OE1-NH1 3.21Å; E499-R542 PolarHBondContact OE1-NH1 3.39Å; R542-G546 WeakPolarHBondContact CA-O 3.49Å |
| 543 | T | 84.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -179.3 | 167.6 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | A465 P467 P493 V496 A545 G546 | A465-T543 PolarHBondContact O-OG1 3.45Å; P467-T543 HydrophobicContact CG-CG2 3.57Å; P493-T543 WeakPolarHBondContact O-CG2 3.3Å; V496-T543 WeakPolarHBondContact O-CG2 3.23Å; T543-A545 PolarHBondContact O-N 3.44Å; T543-A545 PolarHBondContact OG1-N 2.92Å; T543-G546 PolarHBondContact N-O 2.96Å; T543-G546 PolarHBondContact O-N 2.84Å; T543-G546 PolarHBondContact OG1-O 2.04Å |
| 544 | S | 79.5 | Confident | 85.9 | Confident | 84 Ų | 84 | 49.4 Ų | 49.4 | 59% | 0.587 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.7 | 169.8 | 55 | 0 | 0 | 0 | 0 | 113.2 | Q464 | Q464-S544 PolarHBondContact OE1-OG 2.87Š|
| 545 | A | 72.1 | Confident | 85.9 | Confident | 57 Ų | 57 | 49.7 Ų | 49.7 | 47% | 0.471 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -13.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q464 T543 | Q464-A545 WeakPolarHBondContact O-CB 3.49Å; T543-A545 PolarHBondContact O-N 3.44Å; T543-A545 PolarHBondContact OG1-N 2.92Å |
| 546 | G | 77.1 | Confident | 85.9 | Confident | 25 Ų | 25 | 49.4 Ų | 49.4 | 26% | 0.258 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 144.9 | -175.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R542 T543 | R542-G546 WeakPolarHBondContact CA-O 3.49Å; T543-G546 PolarHBondContact N-O 2.96Å; T543-G546 PolarHBondContact O-N 2.84Å; T543-G546 PolarHBondContact OG1-O 2.04Å |
| 547 | C | 82.2 | Confident | 85.7 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 32% | 0.324 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 136.8 | 175.6 | -57.3 | 0 | 0 | 0 | 0 | 111 | ||
| 548 | G | 82.4 | Confident | 85.3 | Confident | 9 Ų | 9 | 54 Ų | 54 | 9% | 0.093 | 28% | 0.275 | C | S | . | . | trans | -69.3 | 177.9 | 169 | 0 | 0 | 0 | 0 | 0 | 112.5 | P467 R540 A541 | P467-G548 VanDerWaalsContact O-CA 3.26Å; P467-G548 WeakPolarHBondContact O-CA 3.5Å; R540-G548 WeakPolarHBondContact CD-O 3.41Å; A541-G548 PolarHBondContact O-N 2.83Å | ||
| 549 | R | 85.1 | Confident | 84.8 | Confident | 204 Ų | 204 | 54.1 Ų | 54.1 | 77% | 0.77 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 147.9 | 173.8 | -68.2 | -176.2 | 179.1 | -177.4 | -0.1 | 110.7 | E469 R540 | E469-R549 HydrophobicContact CB-CB 4.29Å; R540-R549 WeakPolarHBondContact CB-O 3.42Å |
| 550 | F | 87 | Confident | 83.9 | Confident | 58 Ų | 58 | 62.1 Ų | 62.1 | 25% | 0.254 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 143.1 | 167.4 | -80.3 | -69.6 | 0 | 0 | 0 | 110.2 | K503 Q538 V539 R540 | K503-F550 HydrophobicContact CB-CD1 4.43Å; K503-F550 HydrophobicContact CB-CE1 3.69Å; K503-F550 HydrophobicContact CB-CZ 3.89Å; K503-F550 HydrophobicContact CD-CE2 4.39Å; K503-F550 HydrophobicContact CD-CZ 4.25Å; Q538-F550 HydrophobicContact CB-CB 4.13Å; Q538-F550 HydrophobicContact CB-CD1 3.77Å; Q538-F550 HydrophobicContact CB-CG 4.19Å; V539-F550 CarbonylContact O-C 3.56Å; R540-F550 HydrophobicContact CB-CD1 3.95Å; R540-F550 HydrophobicContact CB-CE1 4.27Å; R540-F550 HydrophobicContact CB-CG 4.32Å; R540-F550 HydrophobicContact CG-CD1 3.89Å; R540-F550 HydrophobicContact CG-CE1 3.68Å; R540-F550 HydrophobicContact CG-CG 4.43Å; R540-F550 HydrophobicContact CG-CZ 4.06Å |
| 551 | S | 89.6 | Confident | 82.3 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 4% | 0.035 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 168.6 | 171.2 | 68.3 | 0 | 0 | 0 | 0 | 112.6 | V470 I473 Q538 V539 | V470-S551 WeakPolarHBondContact O-CB 3.49Å; I473-S551 WeakPolarHBondContact CD1-OG 3.25Å; Q538-S551 WeakPolarHBondContact CA-OG 3.48Å; V539-S551 PolarHBondContact N-OG 2.86Å; V539-S551 WeakPolarHBondContact O-CB 3.43Å; V539-S551 PolarHBondContact O-N 2.89Å |
| 552 | Q | 84.9 | Confident | 80.5 | Confident | 144 Ų | 144 | 66.8 Ų | 66.8 | 67% | 0.673 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 153.6 | 161.7 | -60.7 | -58.2 | -35.5 | 0 | 0 | 111.9 | ||
| 553 | N | 86.7 | Confident | 78.8 | Confident | 84 Ų | 84 | 68 Ų | 68 | 45% | 0.449 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 128.8 | -177.9 | -71.4 | 0.9 | 0 | 0 | 0 | 111.4 | I536 Q538 | I536-N553 HydrophobicContact CG2-CB 3.68Å; Q538-N553 WeakPolarHBondContact CG-OD1 3.43Å; Q538-N553 PolarHBondContact NE2-OD1 2.88Å |
| 554 | V | 87.8 | Confident | 76.5 | Confident | 37 Ų | 37 | 76.5 Ų | 76.5 | 22% | 0.224 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 119.1 | 170.5 | -176 | 0 | 0 | 0 | 0 | 109.9 | I473 I536 F537 I556 | I473-V554 HydrophobicContact CB-CG2 3.93Å; I473-V554 HydrophobicContact CD1-CG2 4.26Å; I473-V554 HydrophobicContact CG2-CG2 4.09Å; I536-V554 CarbonylContact C-O 3.53Å; I536-V554 WeakPolarHBondContact CA-O 3.25Å; F537-V554 PolarHBondContact N-O 2.88Å; F537-V554 PolarHBondContact O-N 3.27Å; V554-I556 HydrophobicContact CG1-CD1 4.05Å; V554-I556 HydrophobicContact CG1-CG1 4.02Å |
| 555 | E | 88.9 | Confident | 74.6 | Confident | 79 Ų | 79 | 84.2 Ų | 84.2 | 37% | 0.369 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.5 | 178.4 | -178.8 | 177.4 | 165.4 | 0 | 0 | 111.2 | K507 K534 Y535 I536 | K507-E555 HydrophobicContact CD-CG 4.24Å; K507-E555 WeakPolarHBondContact CD-OE1 3.44Å; K507-E555 IonicContact NZ-OE1 3.92Å; K507-E555 PolarHBondContact NZ-OE1 2.77Å; K507-E555 VanDerWaalsContact NZ-OE1 3.14Å; K507-E555 IonicContact NZ-OE2 3.59Å; K507-E555 PolarHBondContact NZ-OE2 2.9Å; K534-E555 WeakPolarHBondContact CD-OE1 3.4Å; K534-E555 WeakPolarHBondContact CE-OE1 3.41Å; K534-E555 IonicContact NZ-OE1 2.79Å; K534-E555 PolarHBondContact NZ-OE1 3.49Å; Y535-E555 WeakPolarHBondContact O-CA 3.4Å; I536-E555 HydrophobicContact CD1-CB 3.75Å; I536-E555 HydrophobicContact CD1-CG 4.06Å |
| 556 | I | 88.3 | Confident | 73 | Confident | 4 Ų | 4 | 92.5 Ų | 92.5 | 2% | 0.021 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 138.1 | 179.8 | -56.6 | 172.1 | 0 | 0 | 0 | 109.4 | Q475 T478 V483 L485 Y535 F537 V554 | Q475-I556 HydrophobicContact CB-CD1 3.89Å; Q475-I556 HydrophobicContact CG-CD1 3.9Å; Q475-I556 HydrophobicContact CG-CG2 4.45Å; T478-I556 HydrophobicContact CG2-CG2 4.37Å; V483-I556 HydrophobicContact CG1-CD1 3.68Å; V483-I556 HydrophobicContact CG1-CG2 4.12Å; V483-I556 HydrophobicContact CG2-CG2 3.84Å; L485-I556 HydrophobicContact CD2-CD1 3.55Å; Y535-I556 PolarHBondContact N-O 2.94Å; Y535-I556 PolarHBondContact O-N 3.18Å; F537-I556 HydrophobicContact CD2-CB 4.33Å; F537-I556 HydrophobicContact CD2-CD1 3.98Å; F537-I556 HydrophobicContact CD2-CG1 4.27Å; F537-I556 HydrophobicContact CE2-CB 3.97Å; F537-I556 HydrophobicContact CE2-CD1 4.14Å; F537-I556 HydrophobicContact CE2-CG1 4.36Å; V554-I556 HydrophobicContact CG1-CD1 4.05Å; V554-I556 HydrophobicContact CG1-CG1 4.02Å |
| 557 | Q | 85.5 | Confident | 71.2 | Confident | 97 Ų | 97 | 97.9 Ų | 97.9 | 45% | 0.453 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.2 | 179.2 | -170.5 | 167.9 | 13.1 | 0 | 0 | 111.8 | G532 T533 K534 | G532-Q557 PolarHBondContact O-NE2 2.91Å; T533-Q557 WeakPolarHBondContact O-CA 3.47Å; K534-Q557 HydrophobicContact CG-CB 3.97Å; K534-Q557 HydrophobicContact CG-CG 3.92Å |
| 558 | T | 83.7 | Confident | 69.9 | Low | 6 Ų | 6 | 100.9 Ų | 100.9 | 4% | 0.037 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 159.3 | 175.8 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | V483 L529 K530 G532 T533 Y535 | V483-T558 HydrophobicContact CG2-CG2 4.47Å; L529-T558 HydrophobicContact CB-CG2 3.84Å; L529-T558 HydrophobicContact CD1-CG2 4Å; K530-T558 WeakPolarHBondContact O-CB 3.4Å; K530-T558 PolarHBondContact O-OG1 3.47Å; G532-T558 VanDerWaalsContact CA-O 3.23Å; G532-T558 WeakPolarHBondContact CA-O 3.46Å; G532-T558 PolarHBondContact N-O 2.65Å; G532-T558 PolarHBondContact N-OG1 2.98Å; T533-T558 PolarHBondContact N-OG1 2.77Å; T533-T558 PolarHBondContact O-N 2.84Å; T533-T558 PolarHBondContact O-OG1 2.95Å; Y535-T558 HydrophobicContact CD2-CG2 4.23Å; Y535-T558 HydrophobicContact CE2-CG2 4.29Å |
| 559 | G | 78.9 | Confident | 68.4 | Low | 30 Ų | 30 | 107.4 Ų | 107.4 | 31% | 0.309 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 145.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S479 P531 G532 | S479-G559 PolarHBondContact O-N 3.33Å; P531-G559 CarbonylContact C-O 3.38Å; P531-G559 WeakPolarHBondContact CA-O 3.36Å; P531-G559 WeakPolarHBondContact CB-O 3.3Å; G532-G559 PolarHBondContact N-O 3.36Å |
| 560 | K | 73.4 | Confident | 67 | Low | 167 Ų | 167 | 102.5 Ų | 102.5 | 73% | 0.726 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 153.9 | -176 | -64.2 | 178.7 | 178.8 | 178.3 | 0 | 113.7 | ||
| 561 | A | 56.8 | Low | 65.6 | Low | 71 Ų | 71 | 106.1 Ų | 106.1 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | trans | -115 | 162.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P531 | P531-A561 HydrophobicContact CB-CB 3.64Å; P531-A561 HydrophobicContact CG-CB 3.96Å | ||
| 562 | A | 52.2 | Low | 63.9 | Low | 96 Ų | 96 | 111.3 Ų | 111.3 | 79% | 0.793 | 58% | 0.583 | S | S | * | * | trans | -94.7 | 153 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 563 | P | 47.7 | Very low | 62.3 | Low | 123 Ų | 123 | 114.1 Ų | 114.1 | 80% | 0.799 | 59% | 0.587 | S | S | * | * | trans | -98.4 | 152 | -163.8 | 37.1 | -35.9 | 0 | 0 | 0 | 116.4 | ||||
| 564 | L | 37.1 | Very low | 61 | Low | 178 Ų | 178 | 115.9 Ų | 115.9 | 93% | 0.932 | 60% | 0.596 | S | S | * | * | trans | -136.5 | 154.4 | 163.6 | -105.1 | 111.5 | 0 | 0 | 0 | 111.3 | ||||
| 565 | R | 38.3 | Very low | 59.4 | Low | 246 Ų | 246 | 118.2 Ų | 118.2 | 93% | 0.928 | 61% | 0.613 | S | S | * | * | trans | -91 | 153.7 | -168.7 | -67.9 | 178.5 | 171.2 | 178.1 | -3.6 | 114.1 | ||||
| 566 | Y | 38.6 | Very low | 57.7 | Low | 232 Ų | 232 | 120.9 Ų | 120.9 | 91% | 0.91 | 63% | 0.63 | S | S | * | * | trans | -118.5 | 159.5 | 171.8 | -105.9 | -93.8 | 0 | 0 | 0 | 112.5 | ||||
| 567 | N | 39.7 | Very low | 56.3 | Low | 137 Ų | 137 | 124.2 Ų | 124.2 | 73% | 0.733 | 66% | 0.657 | S | S | * | * | trans | -126.4 | 152.6 | -173.3 | -158.1 | -2.8 | 0 | 0 | 0 | 112.5 | M569 | N567-M569 PolarHBondContact O-N 3.02Š| ||
| 568 | T | 56.2 | Low | 55 | Low | 111 Ų | 111 | 126.3 Ų | 126.3 | 68% | 0.681 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 28.9 | -149 | 47.4 | 0 | 0 | 0 | 0 | 117.4 | ||
| 569 | M | 48.9 | Very low | 53.9 | Low | 147 Ų | 147 | 131.6 Ų | 131.6 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -3.9 | -174 | -81 | -69.5 | 169.2 | 0 | 0 | 116.6 | N567 | N567-M569 PolarHBondContact O-N 3.02Š|
| 570 | T | 56.3 | Low | 52.7 | Low | 101 Ų | 101 | 134.7 Ų | 134.7 | 62% | 0.62 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -85 | -18 | -176.2 | -4.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 571 | I | 57.1 | Low | 51.9 | Low | 133 Ų | 133 | 129.3 Ų | 129.3 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -76.1 | -28 | -168.7 | -64 | 174.1 | 0 | 0 | 0 | 112.5 | W573 | I571-W573 VanDerWaalsContact C-N 3.29Å; I571-W573 PolarHBondContact O-N 3.02Å |
| 572 | I | 55.7 | Low | 51.9 | Low | 115 Ų | 115 | 132.5 Ų | 132.5 | 59% | 0.59 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -72 | -20.8 | -174 | -64.9 | 171.8 | 0 | 0 | 0 | 112.8 | S575 | I572-S575 PolarHBondContact O-OG 3.15Š|
| 573 | W | 50 | Low | 52.3 | Low | 202 Ų | 202 | 133.4 Ų | 133.4 | 77% | 0.765 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -84 | -18.3 | -175.1 | -81.1 | 97.5 | 0 | 0 | 0 | 115.3 | I571 | I571-W573 VanDerWaalsContact C-N 3.29Å; I571-W573 PolarHBondContact O-N 3.02Å |
| 574 | I | 59 | Low | 52.7 | Low | 122 Ų | 122 | 130.8 Ų | 130.8 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -29.2 | -172.5 | -65.5 | 169.3 | 0 | 0 | 0 | 112 | L576 A577 | I574-L576 VanDerWaalsContact C-N 3.28Å; I574-L576 PolarHBondContact O-N 3.42Å; I574-A577 PolarHBondContact O-N 3.16Å |
| 575 | S | 55 | Low | 53.6 | Low | 85 Ų | 85 | 129.4 Ų | 129.4 | 59% | 0.594 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -17 | -177.1 | 42.6 | 0 | 0 | 0 | 0 | 114.8 | I572 | I572-S575 PolarHBondContact O-OG 3.15Š|
| 576 | L | 54.1 | Low | 54.4 | Low | 136 Ų | 136 | 123.6 Ų | 123.6 | 71% | 0.712 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -14 | -179 | -81.3 | 161.3 | 0 | 0 | 0 | 114.5 | I574 | I574-L576 VanDerWaalsContact C-N 3.28Å; I574-L576 PolarHBondContact O-N 3.42Å |
| 577 | A | 57.8 | Low | 55.1 | Low | 73 Ų | 73 | 115.7 Ų | 115.7 | 60% | 0.603 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -88.3 | -18.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115 | I574 | I574-A577 PolarHBondContact O-N 3.16Š|
| 578 | L | 59.2 | Low | 55.9 | Low | 142 Ų | 142 | 115.4 Ų | 115.4 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -87.3 | -17.3 | -169.5 | -78.6 | 163 | 0 | 0 | 0 | 114.9 | ||
| 579 | V | 59.1 | Low | 55.9 | Low | 117 Ų | 117 | 116.1 Ų | 116.1 | 71% | 0.709 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -83.3 | -24.2 | -172.4 | -177.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 580 | S | 54.6 | Low | 56 | Low | 95 Ų | 95 | 116 Ų | 116 | 66% | 0.664 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -79.2 | -23.7 | -176.4 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 581 | G | 56.2 | Low | 55.5 | Low | 53 Ų | 53 | 116.3 Ų | 116.3 | 55% | 0.546 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -75.4 | -28.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V583 | G581-V583 PolarHBondContact O-N 3.08Š|
| 582 | L | 58.3 | Low | 54.8 | Low | 138 Ų | 138 | 121.5 Ų | 121.5 | 72% | 0.723 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -76.4 | -23.2 | -170 | -146.7 | 79.6 | 0 | 0 | 0 | 113.7 | ||
| 583 | V | 59 | Low | 53.8 | Low | 115 Ų | 115 | 126 Ų | 126 | 70% | 0.697 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -81.4 | -27.4 | -174.1 | -177.4 | 0 | 0 | 0 | 0 | 112.4 | G581 | G581-V583 PolarHBondContact O-N 3.08Å |
| 584 | A | 56.9 | Low | 53.1 | Low | 68 Ų | 68 | 127.2 Ų | 127.2 | 56% | 0.562 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -75.5 | -29.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 585 | F | 54.9 | Low | 51.8 | Low | 150 Ų | 150 | 129.7 Ų | 129.7 | 66% | 0.658 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -79.3 | -31.6 | -171.6 | -158.3 | -104.3 | 0 | 0 | 0 | 113.4 | A587 I589 | F585-A587 VanDerWaalsContact C-N 3.28Å; F585-A587 PolarHBondContact O-N 3.43Å; F585-I589 HydrophobicContact CE1-CD1 4.22Å |
| 586 | L | 56.5 | Low | 50.6 | Low | 124 Ų | 124 | 128.4 Ų | 128.4 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -19.3 | -179.3 | -73.5 | 165.1 | 0 | 0 | 0 | 113.6 | ||
| 587 | A | 53.5 | Low | 49.3 | Very low | 66 Ų | 66 | 132 Ų | 132 | 55% | 0.545 | 71% | 0.705 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.5 | -23.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | F585 | F585-A587 VanDerWaalsContact C-N 3.28Å; F585-A587 PolarHBondContact O-N 3.43Å |
| 588 | I | 55.4 | Low | 47.9 | Very low | 131 Ų | 131 | 135 Ų | 135 | 67% | 0.672 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -30.6 | -171 | -65.3 | 177.2 | 0 | 0 | 0 | 112.2 | ||
| 589 | I | 55.8 | Low | 46.6 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 65% | 0.646 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -78.1 | -22.5 | -173.5 | -65.1 | 178.3 | 0 | 0 | 0 | 112.7 | F585 | F585-I589 HydrophobicContact CE1-CD1 4.22Š|
| 590 | I | 51.6 | Low | 45.5 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 74% | 0.744 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -15.1 | -172.4 | -63.8 | 177.9 | 0 | 0 | 0 | 113.1 | ||
| 591 | C | 45.9 | Very low | 44.3 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 2.3 | -169.7 | -74.7 | 0 | 0 | 0 | 0 | 117.3 | ||
| 592 | R | 42.2 | Very low | 43 | Very low | 242 Ų | 242 | 146 Ų | 146 | 91% | 0.913 | 74% | 0.737 | S | S | * | * | trans | -133.3 | 71.4 | 177.4 | -62.9 | -159.8 | 81.3 | 104.6 | -0 | 114.8 | ||||
| 593 | K | 35 | Very low | 42.2 | Very low | 208 Ų | 208 | 144.7 Ų | 144.7 | 90% | 0.904 | 74% | 0.738 | S | S | * | * | trans | -121 | 98.8 | 164.6 | -163.6 | -177.2 | -174.5 | -177.2 | 0 | 111.9 | ||||
| 594 | R | 36 | Very low | 40.8 | Very low | 229 Ų | 229 | 144 Ų | 144 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | trans | -166.5 | 113.8 | 162.4 | -104.6 | 176.5 | 168.9 | 176.3 | -4 | 105.5 | ||||
| 595 | Q | 31.3 | Very low | 39.5 | Very low | 173 Ų | 173 | 147.5 Ų | 147.5 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | 62.3 | 121.3 | 69 | -166.7 | 176.7 | 13.3 | 0 | 0 | 110.9 | |||||
| 596 | G | 29.3 | Very low | 38.3 | Very low | 58 Ų | 58 | 146.5 Ų | 146.5 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | cis | 174.7 | -174.1 | -0.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 597 | Y | 27.7 | Very low | 37 | Very low | 211 Ų | 211 | 148.8 Ų | 148.8 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | 74.2 | 150.3 | 173.1 | -49.4 | -76.3 | 0 | 0 | 0 | 116.6 | ||||
| 598 | T | 28.2 | Very low | 35.7 | Very low | 136 Ų | 136 | 151.3 Ų | 151.3 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | cis | -158 | 167.9 | 3.4 | -3.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 599 | L | 31.7 | Very low | 34.3 | Very low | 157 Ų | 157 | 147.9 Ų | 147.9 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -84.6 | 169.6 | 179.1 | -121.4 | 109.7 | 0 | 0 | 0 | 114.2 | ||||
| 600 | P | 36.4 | Very low | 33 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | -159.6 | 159.2 | 90.5 | 41.6 | -20.7 | 0 | 0 | 0 | 121.2 | |||||
| 601 | H | 28.6 | Very low | 31.8 | Very low | 161 Ų | 161 | 150 Ų | 150 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | trans | 57.5 | 110.6 | 143.2 | -90.1 | -100.9 | 0 | 0 | 0 | 127.3 | ||||
| 602 | Y | 29 | Very low | 30.9 | Very low | 205 Ų | 205 | 154.7 Ų | 154.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | 38 | 151.5 | 104.6 | -86.3 | -68.8 | 0 | 0 | 0 | 123.1 | |||||
| 603 | P | 42.1 | Very low | 30.1 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | -149.2 | 165.6 | 57.6 | 42.7 | -22.9 | 0 | 0 | 0 | 121.3 | |||||
| 604 | S | 29.5 | Very low | 29.5 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | 73.4 | 138.6 | 150.1 | -62.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 605 | L | 29.8 | Very low | 29.2 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | cis | -162.6 | 150.1 | -8.3 | -147.7 | 79.7 | 0 | 0 | 0 | 113.6 | ||||
| 606 | L | 29.2 | Very low | 28.9 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | trans | 75.4 | 108.1 | 142.9 | -124.4 | 69.7 | 0 | 0 | 0 | 125.5 | ||||
| 607 | H | 28.8 | Very low | 28.7 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | trans | 64.2 | 147.9 | 131.1 | -76.4 | 28 | 0 | 0 | 0 | 121.5 | ||||
| 608 | C | 25.9 | Very low | 28.7 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | cis | -172.9 | 158.4 | -15.9 | -159.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 609 | G | 26.9 | Very low | 28.7 | Very low | 58 Ų | 58 | 141.8 Ų | 141.8 | 60% | 0.598 | 76% | 0.756 | S | S | * | * | cis | 174.6 | 151.7 | -4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 610 | Y | 27.2 | Very low | 28.4 | Very low | 216 Ų | 216 | 143.1 Ų | 143.1 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | trans | 57.3 | 113.2 | 136.3 | -89.5 | -112 | 0 | 0 | 0 | 121.7 | ||||
| 611 | S | 27.2 | Very low | 28.1 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | 80.8 | 146.2 | 73.1 | -69.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 612 | K | 27 | Very low | 27.9 | Very low | 205 Ų | 205 | 147.1 Ų | 147.1 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | cis | -156.6 | 164.1 | 16.4 | -145.1 | 174.3 | -176.3 | 177.6 | 0 | 111 | ||||
| 613 | A | 25.4 | Very low | 27.7 | Very low | 87 Ų | 87 | 145.5 Ų | 145.5 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | trans | -92.9 | 161.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 614 | F | 23 | Very low | 27.3 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -174 | 152 | 131 | -126 | -124.1 | 0 | 0 | 0 | 115.9 | ||||
| 615 | Q | 28.6 | Very low | 27 | Very low | 159 Ų | 159 | 155.4 Ų | 155.4 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 41.8 | 119.2 | 157.6 | -79.3 | 172.8 | -38.2 | 0 | 0 | 121.2 | ||||
| 616 | D | 24.7 | Very low | 27.2 | Very low | 149 Ų | 149 | 156.8 Ų | 156.8 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | cis | 93.7 | 146.8 | 48.8 | -158.6 | 23.6 | 0 | 0 | 0 | 115.5 | ||||
| 617 | S | 26.5 | Very low | 27.1 | Very low | 86 Ų | 86 | 153.6 Ų | 153.6 | 60% | 0.601 | 79% | 0.789 | S | S | * | * | trans | 66.8 | 115.2 | 165.9 | 61.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 618 | D | 27.8 | Very low | 27.4 | Very low | 147 Ų | 147 | 154.9 Ų | 154.9 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | 77.3 | 138.8 | 127.2 | -56.3 | -20.8 | 0 | 0 | 0 | 124.7 | |||||
| 619 | E | 27.2 | Very low | 27.4 | Very low | 182 Ų | 182 | 154.1 Ų | 154.1 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | 29.6 | 144.3 | 146.6 | -53.6 | -171.9 | 143.7 | 0 | 0 | 120 | ||||
| 620 | E | 25.6 | Very low | 27.6 | Very low | 184 Ų | 184 | 156.6 Ų | 156.6 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | cis | -168.4 | -178.7 | 46.8 | -150.7 | -178 | 177.1 | 0 | 0 | 111.8 | ||||
| 621 | K | 29.7 | Very low | 27.6 | Very low | 190 Ų | 190 | 153.8 Ų | 153.8 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -74.9 | 146.6 | 175.2 | -62.1 | 161 | 177.4 | 163 | 0 | 112.5 | ||||
| 622 | M | 24.1 | Very low | 28 | Very low | 170 Ų | 170 | 155.1 Ų | 155.1 | 84% | 0.837 | 79% | 0.794 | S | S | * | * | trans | -162.3 | 115.9 | 146.2 | -93.3 | -103.6 | 171.5 | 0 | 0 | 108.9 | ||||
| 623 | H | 25.2 | Very low | 28.5 | Very low | 171 Ų | 171 | 150.9 Ų | 150.9 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | 77.9 | 119.4 | 93.8 | -87.7 | -79.4 | 0 | 0 | 0 | 116 | |||||
| 624 | Y | 33.3 | Very low | 29.1 | Very low | 232 Ų | 232 | 150.1 Ų | 150.1 | 91% | 0.91 | 77% | 0.774 | S | S | * | * | trans | -62.9 | 130.2 | 168.2 | -95.8 | -105.5 | 0 | 0 | 0 | 111.5 | ||||
| 625 | Q | 24.9 | Very low | 30.7 | Very low | 188 Ų | 188 | 150.6 Ų | 150.6 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -163.8 | 156.8 | 134.5 | -114.6 | 172.9 | 6.4 | 0 | 0 | 113.2 | G627 | Q625-G627 PolarHBondContact O-N 3.48Š| ||
| 626 | N | 33.1 | Very low | 32.5 | Very low | 171 Ų | 171 | 149.9 Ų | 149.9 | 91% | 0.914 | 77% | 0.766 | S | S | * | * | trans | -50.1 | 125.8 | -171 | -62.7 | -24.9 | 0 | 0 | 0 | 115 | ||||
| 627 | G | 26.6 | Very low | 34.7 | Very low | 63 Ų | 63 | 144.7 Ų | 144.7 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | trans | -150.4 | 114.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q625 V629 | Q625-G627 PolarHBondContact O-N 3.48Å; G627-V629 PolarHBondContact O-N 3.41Å | ||
| 628 | H | 35.3 | Very low | 36.7 | Very low | 198 Ų | 198 | 144.4 Ų | 144.4 | 92% | 0.917 | 73% | 0.726 | S | S | * | * | trans | -74.5 | 96.8 | -177.1 | -161.5 | 24.2 | 0 | 0 | 0 | 109.2 | S630 | H628-S630 PolarHBondContact O-N 3.07Š| ||
| 629 | V | 26.5 | Very low | 38.5 | Very low | 103 Ų | 103 | 140.1 Ų | 140.1 | 62% | 0.624 | 70% | 0.703 | S | S | * | * | trans | -82.8 | 106.4 | 174.6 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | G627 F631 | G627-V629 PolarHBondContact O-N 3.41Å; V629-F631 HydrophobicContact CB-CE2 4.16Å; V629-F631 HydrophobicContact CG1-CD2 4.12Å; V629-F631 HydrophobicContact CG1-CE2 3.7Å; V629-F631 HydrophobicContact CG1-CZ 4.18Å; V629-F631 WeakPolarHBondContact O-CD2 3.47Å; V629-F631 PolarHBondContact O-N 3.05Å; V629-F631 VanDerWaalsContact O-N 3.08Å | ||
| 630 | S | 30.7 | Very low | 40 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 66% | 0.664 | S | S | * | * | trans | -71.1 | 97.3 | 174.2 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | H628 | H628-S630 PolarHBondContact O-N 3.07Š| ||
| 631 | F | 28.2 | Very low | 41.6 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 68% | 0.684 | 64% | 0.644 | S | S | * | * | trans | -74.2 | 159.4 | 157.2 | -69.2 | -89.6 | 0 | 0 | 0 | 109.2 | V629 D633 | V629-F631 HydrophobicContact CB-CE2 4.16Å; V629-F631 HydrophobicContact CG1-CD2 4.12Å; V629-F631 HydrophobicContact CG1-CE2 3.7Å; V629-F631 HydrophobicContact CG1-CZ 4.18Å; V629-F631 WeakPolarHBondContact O-CD2 3.47Å; V629-F631 PolarHBondContact O-N 3.05Å; V629-F631 VanDerWaalsContact O-N 3.08Å; F631-D633 PolarHBondContact O-N 3.47Å | ||
| 632 | P | 34.6 | Very low | 42.8 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 83% | 0.831 | 64% | 0.635 | S | S | * | * | trans | -67.4 | 104.4 | 168 | -9.7 | 25.8 | 0 | 0 | 0 | 107.6 | A634 | P632-A634 PolarHBondContact O-N 3.26Š| ||
| 633 | D | 37 | Very low | 44.2 | Very low | 117 Ų | 117 | 117.6 Ų | 117.6 | 63% | 0.626 | 60% | 0.604 | S | S | * | * | trans | -55.8 | 105.1 | -176.1 | -75.4 | -21.6 | 0 | 0 | 0 | 111.2 | F631 R635 | F631-D633 PolarHBondContact O-N 3.47Å; D633-R635 HydrophobicContact CB-CG 3.7Å; D633-R635 PolarHBondContact O-N 3.15Å; D633-R635 IonicContact OD2-NE 3.59Å; D633-R635 IonicContact OD2-NH2 3.98Å | ||
| 634 | A | 37.8 | Very low | 45.4 | Very low | 70 Ų | 70 | 119.2 Ų | 119.2 | 58% | 0.579 | 61% | 0.612 | S | S | * | * | trans | -70.2 | 81.7 | 149.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | P632 F636 | P632-A634 PolarHBondContact O-N 3.26Å; A634-F636 HydrophobicContact CB-CE2 3.82Å; A634-F636 HydrophobicContact CB-CZ 4.04Å; A634-F636 WeakPolarHBondContact O-CD2 3.41Å; A634-F636 WeakPolarHBondContact O-CE2 3.09Å; A634-F636 PolarHBondContact O-N 2.87Å; A634-F636 VanDerWaalsContact O-N 3.09Å | ||
| 635 | R | 57.2 | Low | 46.8 | Very low | 188 Ų | 188 | 111.5 Ų | 111.5 | 71% | 0.709 | 59% | 0.587 | S | S | * | * | trans | -64.8 | 109.4 | 171.6 | -63.9 | -168.9 | 177 | -179.2 | -2.7 | 107.5 | D633 L781 | D633-R635 HydrophobicContact CB-CG 3.7Å; D633-R635 PolarHBondContact O-N 3.15Å; D633-R635 IonicContact OD2-NE 3.59Å; D633-R635 IonicContact OD2-NH2 3.98Å; R635-L781 WeakPolarHBondContact O-CD2 3.34Å | ||
| 636 | F | 67 | Low | 48.3 | Very low | 144 Ų | 144 | 103.5 Ų | 103.5 | 63% | 0.632 | 55% | 0.551 | S | S | * | * | trans | -86.1 | 148.7 | 167.7 | -63.9 | -79.9 | 0 | 0 | 0 | 108.9 | A634 I638 | A634-F636 HydrophobicContact CB-CE2 3.82Å; A634-F636 HydrophobicContact CB-CZ 4.04Å; A634-F636 WeakPolarHBondContact O-CD2 3.41Å; A634-F636 WeakPolarHBondContact O-CE2 3.09Å; A634-F636 PolarHBondContact O-N 2.87Å; A634-F636 VanDerWaalsContact O-N 3.09Å; F636-I638 PolarHBondContact O-N 2.87Å | ||
| 637 | Y | 70.1 | Confident | 49.7 | Very low | 40 Ų | 40 | 97.4 Ų | 97.4 | 16% | 0.157 | 52% | 0.521 | C | S | . | . | trans | -61.4 | 131.6 | 171.7 | 165.2 | -100.1 | 0 | 0 | 0 | 110.2 | D639 P640 I714 F718 L781 Y783 | Y637-D639 HydrophobicContact CE1-CB 3.97Å; Y637-P640 VanDerWaalsContact OH-CD 3.24Å; Y637-P640 WeakPolarHBondContact OH-CD 3.43Å; Y637-I714 HydrophobicContact CE2-CG1 4.4Å; Y637-I714 HydrophobicContact CE2-CG2 4.17Å; Y637-F718 AromaticContact CD2-CE1 3.94Å; Y637-F718 HydrophobicContact CD2-CE1 3.94Å; Y637-F718 HydrophobicContact CD2-CZ 4.08Å; Y637-F718 HydrophobicContact CE2-CZ 4.29Å; Y637-L781 WeakPolarHBondContact CB-O 3.47Å; Y637-L781 PolarHBondContact N-O 2.64Å; Y637-Y783 AromaticContact CD1-CD2 3.84Å; Y637-Y783 HydrophobicContact CD1-CD2 3.84Å; Y637-Y783 AromaticContact CD2-CD2 3.74Å; Y637-Y783 HydrophobicContact CD2-CD2 3.74Å; Y637-Y783 HydrophobicContact CD2-CE2 4.44Å; Y637-Y783 AromaticContact CE1-CD2 3.69Å; Y637-Y783 HydrophobicContact CE1-CD2 3.69Å; Y637-Y783 HydrophobicContact CE1-CE2 4.13Å; Y637-Y783 AromaticContact CE2-CD2 3.58Å; Y637-Y783 HydrophobicContact CE2-CD2 3.58Å; Y637-Y783 AromaticContact CE2-CE2 3.83Å; Y637-Y783 HydrophobicContact CE2-CE2 3.83Å; Y637-Y783 AromaticContact CG-CD2 3.86Å; Y637-Y783 HydrophobicContact CG-CD2 3.86Å; Y637-Y783 AromaticContact CZ-CD2 3.54Å; Y637-Y783 AromaticContact CZ-CE2 3.64Å | ||
| 638 | I | 69.1 | Low | 51.5 | Low | 79 Ų | 79 | 100 Ų | 100 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | trans | -104.3 | 119.8 | 174.9 | -57.6 | 177.3 | 0 | 0 | 0 | 107.3 | F636 P640 Y643 Q717 | F636-I638 PolarHBondContact O-N 2.87Å; I638-P640 WeakPolarHBondContact O-CD 3.36Å; I638-Y643 HydrophobicContact CG2-CE2 4.29Å; I638-Q717 PolarHBondContact O-NE2 2.95Å; I638-Q717 PolarHBondContact O-OE1 3.46Å | ||
| 639 | D | 64.9 | Low | 53 | Low | 57 Ų | 57 | 90.5 Ų | 90.5 | 31% | 0.305 | 47% | 0.473 | S | S | . | . | trans | -66.4 | 116.7 | 178.2 | -166.6 | -35.5 | 0 | 0 | 0 | 110.2 | Y637 H641 T642 | Y637-D639 HydrophobicContact CE1-CB 3.97Å; D639-H641 PolarHBondContact O-N 3.04Å; D639-H641 WeakPolarHBondContact OD1-CB 3.31Å; D639-H641 IonicContact OD1-CE1 2.71Å; D639-H641 IonicContact OD1-CG 2.69Å; D639-H641 PolarHBondContact OD1-N 2.89Å; D639-H641 IonicContact OD1-ND1 3.67Å; D639-H641 PolarHBondContact OD1-ND1 3.27Å; D639-T642 HydrophobicContact CB-CG2 4.49Å; D639-T642 WeakPolarHBondContact O-CG2 3.39Å; D639-T642 PolarHBondContact O-N 3.44Å; D639-T642 PolarHBondContact O-OG1 3.39Å | ||
| 640 | P | 58.3 | Low | 55.2 | Low | 4 Ų | 4 | 85.8 Ų | 85.8 | 3% | 0.026 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -61.2 | -15.3 | -177.8 | -26.1 | 37.7 | 0 | 0 | 0 | 114.4 | Y637 I638 T642 Y643 A649 S713 I714 | Y637-P640 VanDerWaalsContact OH-CD 3.24Å; Y637-P640 WeakPolarHBondContact OH-CD 3.43Å; I638-P640 WeakPolarHBondContact O-CD 3.36Å; P640-T642 PolarHBondContact O-N 3.36Å; P640-Y643 WeakPolarHBondContact O-CB 3.41Å; P640-Y643 PolarHBondContact O-N 2.88Å; P640-A649 HydrophobicContact CB-CB 4.2Å; P640-S713 VanDerWaalsContact CB-OG 3.26Å; P640-S713 WeakPolarHBondContact CB-OG 3.16Å; P640-S713 WeakPolarHBondContact CG-OG 3.42Å; P640-I714 HydrophobicContact CG-CG1 3.91Å |
| 641 | H | 59.1 | Low | 57 | Low | 97 Ų | 97 | 87.1 Ų | 87.1 | 45% | 0.449 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -73.3 | -3.7 | 172.9 | -54.7 | 89.4 | 0 | 0 | 0 | 113.5 | D639 | D639-H641 PolarHBondContact O-N 3.04Å; D639-H641 WeakPolarHBondContact OD1-CB 3.31Å; D639-H641 IonicContact OD1-CE1 2.71Å; D639-H641 IonicContact OD1-CG 2.69Å; D639-H641 PolarHBondContact OD1-N 2.89Å; D639-H641 IonicContact OD1-ND1 3.67Å; D639-H641 PolarHBondContact OD1-ND1 3.27Å |
| 642 | T | 56.3 | Low | 59.1 | Low | 104 Ų | 104 | 85.3 Ų | 85.3 | 64% | 0.638 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -75.7 | -8.6 | 166.6 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | D639 P640 | D639-T642 HydrophobicContact CB-CG2 4.49Å; D639-T642 WeakPolarHBondContact O-CG2 3.39Å; D639-T642 PolarHBondContact O-N 3.44Å; D639-T642 PolarHBondContact O-OG1 3.39Å; P640-T642 PolarHBondContact O-N 3.36Å |
| 643 | Y | 52.6 | Low | 61.1 | Low | 48 Ų | 48 | 81.8 Ų | 81.8 | 19% | 0.188 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -95.2 | 139.8 | 174.4 | -68.5 | -103 | 0 | 0 | 0 | 110.7 | I638 P640 D645 A649 E652 F653 | I638-Y643 HydrophobicContact CG2-CE2 4.29Å; P640-Y643 WeakPolarHBondContact O-CB 3.41Å; P640-Y643 PolarHBondContact O-N 2.88Å; Y643-D645 VanDerWaalsContact C-N 3.27Å; Y643-D645 PolarHBondContact O-N 2.82Å; Y643-A649 HydrophobicContact CD1-CB 4.31Å; Y643-A649 HydrophobicContact CD2-CB 3.94Å; Y643-A649 HydrophobicContact CE2-CB 4.4Å; Y643-A649 HydrophobicContact CG-CB 3.89Å; Y643-E652 WeakPolarHBondContact CE1-OE2 3.42Å; Y643-E652 VanDerWaalsContact CZ-OE2 3.25Å; Y643-E652 VanDerWaalsContact OH-CD 3.25Å; Y643-E652 PolarHBondContact OH-OE1 3.27Å; Y643-E652 PolarHBondContact OH-OE2 3.47Å; Y643-F653 AromaticContact CE2-CE2 3.96Å; Y643-F653 HydrophobicContact CE2-CE2 3.96Å; Y643-F653 HydrophobicContact CE2-CZ 4.22Å; Y643-F653 WeakPolarHBondContact OH-CZ 3.19Å |
| 644 | E | 51.6 | Low | 63.4 | Low | 206 Ų | 206 | 76.8 Ų | 76.8 | 96% | 0.963 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -68.5 | -24.1 | 178.5 | -63.5 | -173.9 | 156.7 | 0 | 0 | 113.1 | ||
| 645 | D | 60.8 | Low | 65.8 | Low | 70 Ų | 70 | 79.2 Ų | 79.2 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | trans | -131.8 | 117.5 | 173.8 | -176.8 | 6.1 | 0 | 0 | 0 | 111.8 | Y643 C647 Q648 A649 | Y643-D645 VanDerWaalsContact C-N 3.27Å; Y643-D645 PolarHBondContact O-N 2.82Å; D645-C647 PolarHBondContact O-N 3.19Å; D645-C647 VanDerWaalsContact O-N 3.13Å; D645-C647 WeakPolarHBondContact OD1-CB 3.38Å; D645-C647 PolarHBondContact OD1-N 3.08Å; D645-C647 PolarHBondContact OD1-SG 2.95Å; D645-C647 WeakPolarHBondContact OD2-CB 3.37Å; D645-Q648 HydrophobicContact CB-CB 4.41Å; D645-Q648 WeakPolarHBondContact O-CB 3.38Å; D645-Q648 PolarHBondContact O-N 3.39Å; D645-A649 PolarHBondContact O-N 3.25Å | ||
| 646 | P | 58.1 | Low | 67.3 | Low | 20 Ų | 20 | 73 Ų | 73 | 13% | 0.13 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.9 | -23.4 | 172.3 | -28.3 | 37.7 | 0 | 0 | 0 | 114.7 | Q648 A649 V650 R706 | P646-Q648 VanDerWaalsContact C-N 3.3Å; P646-A649 PolarHBondContact O-N 3.09Å; P646-V650 WeakPolarHBondContact O-CG2 3.42Å; P646-V650 PolarHBondContact O-N 3.08Å; P646-R706 HydrophobicContact CB-CG 4.48Å; P646-R706 HydrophobicContact CG-CB 4.07Å; P646-R706 HydrophobicContact CG-CG 3.96Å |
| 647 | C | 61.4 | Low | 68.4 | Low | 42 Ų | 42 | 66.5 Ų | 66.5 | 28% | 0.284 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.9 | -33.5 | 174.1 | -49.9 | 0 | 0 | 0 | 0 | 111.5 | D645 H651 | D645-C647 PolarHBondContact O-N 3.19Å; D645-C647 VanDerWaalsContact O-N 3.13Å; D645-C647 WeakPolarHBondContact OD1-CB 3.38Å; D645-C647 PolarHBondContact OD1-N 3.08Å; D645-C647 PolarHBondContact OD1-SG 2.95Å; D645-C647 WeakPolarHBondContact OD2-CB 3.37Å; C647-H651 WeakPolarHBondContact O-CB 3.3Å; C647-H651 PolarHBondContact O-N 3.01Å; C647-H651 VanDerWaalsContact O-N 3.09Å |
| 648 | Q | 65.5 | Low | 69.3 | Low | 117 Ų | 117 | 69.7 Ų | 69.7 | 55% | 0.547 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.1 | -45.7 | 175.2 | -173 | 177.9 | -5 | 0 | 0 | 111.1 | D645 P646 V650 H651 E652 | D645-Q648 HydrophobicContact CB-CB 4.41Å; D645-Q648 WeakPolarHBondContact O-CB 3.38Å; D645-Q648 PolarHBondContact O-N 3.39Å; P646-Q648 VanDerWaalsContact C-N 3.3Å; Q648-V650 VanDerWaalsContact C-N 3.34Å; Q648-V650 PolarHBondContact O-N 3.37Å; Q648-H651 PolarHBondContact O-N 3.48Å; Q648-H651 VanDerWaalsContact O-N 3.11Å; Q648-E652 PolarHBondContact O-N 3.47Å |
| 649 | A | 66.7 | Low | 70.1 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P640 Y643 D645 P646 H651 E652 F653 | P640-A649 HydrophobicContact CB-CB 4.2Å; Y643-A649 HydrophobicContact CD1-CB 4.31Å; Y643-A649 HydrophobicContact CD2-CB 3.94Å; Y643-A649 HydrophobicContact CE2-CB 4.4Å; Y643-A649 HydrophobicContact CG-CB 3.89Å; D645-A649 PolarHBondContact O-N 3.25Å; P646-A649 PolarHBondContact O-N 3.09Å; A649-H651 VanDerWaalsContact C-N 3.35Å; A649-E652 PolarHBondContact O-N 3.19Å; A649-F653 HydrophobicContact CB-CD2 4.47Å; A649-F653 HydrophobicContact CB-CE2 4.43Å; A649-F653 WeakPolarHBondContact O-CD2 3.36Å; A649-F653 PolarHBondContact O-N 3.27Å |
| 650 | V | 71.4 | Confident | 71.2 | Confident | 4 Ų | 4 | 70 Ų | 70 | 2% | 0.024 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 173 | 167.8 | 0 | 0 | 0 | 0 | 111.7 | P646 Q648 E652 A654 L709 A712 V729 T731 | P646-V650 WeakPolarHBondContact O-CG2 3.42Å; P646-V650 PolarHBondContact O-N 3.08Å; Q648-V650 VanDerWaalsContact C-N 3.34Å; Q648-V650 PolarHBondContact O-N 3.37Å; V650-E652 VanDerWaalsContact C-N 3.31Å; V650-E652 PolarHBondContact O-N 3.04Å; V650-A654 HydrophobicContact CG1-CB 4.06Å; V650-A654 WeakPolarHBondContact O-CA 3.4Å; V650-A654 VanDerWaalsContact O-CB 3.25Å; V650-A654 WeakPolarHBondContact O-CB 3.37Å; V650-A654 PolarHBondContact O-N 2.95Å; V650-L709 HydrophobicContact CG2-CB 3.92Å; V650-L709 HydrophobicContact CG2-CD2 4.46Å; V650-L709 WeakPolarHBondContact CG2-O 3.47Å; V650-A712 HydrophobicContact CG2-CB 4.48Å; V650-V729 HydrophobicContact CG1-CB 4.45Å; V650-V729 HydrophobicContact CG1-CG1 4.22Å; V650-V729 HydrophobicContact CG1-CG2 3.75Å; V650-T731 HydrophobicContact CG1-CG2 4.37Å |
| 651 | H | 70 | Confident | 72.7 | Confident | 139 Ų | 139 | 73.7 Ų | 73.7 | 64% | 0.644 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68.7 | -29 | 177.7 | -167 | 75.3 | 0 | 0 | 0 | 113.3 | C647 Q648 A649 | C647-H651 WeakPolarHBondContact O-CB 3.3Å; C647-H651 PolarHBondContact O-N 3.01Å; C647-H651 VanDerWaalsContact O-N 3.09Å; Q648-H651 PolarHBondContact O-N 3.48Å; Q648-H651 VanDerWaalsContact O-N 3.11Å; A649-H651 VanDerWaalsContact C-N 3.35Å |
| 652 | E | 71.7 | Confident | 74.2 | Confident | 117 Ų | 117 | 70.1 Ų | 70.1 | 55% | 0.547 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -77.3 | -42.9 | 177.2 | -171.8 | 171.3 | 175.5 | 0 | 0 | 112.7 | Y643 Q648 A649 V650 | Y643-E652 WeakPolarHBondContact CE1-OE2 3.42Å; Y643-E652 VanDerWaalsContact CZ-OE2 3.25Å; Y643-E652 VanDerWaalsContact OH-CD 3.25Å; Y643-E652 PolarHBondContact OH-OE1 3.27Å; Y643-E652 PolarHBondContact OH-OE2 3.47Å; Q648-E652 PolarHBondContact O-N 3.47Å; A649-E652 PolarHBondContact O-N 3.19Å; V650-E652 VanDerWaalsContact C-N 3.31Å; V650-E652 PolarHBondContact O-N 3.04Å |
| 653 | F | 76.6 | Confident | 75.9 | Confident | 54 Ų | 54 | 70.6 Ų | 70.6 | 24% | 0.237 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -97.6 | -34.3 | -174.1 | -56.7 | -57.5 | 0 | 0 | 0 | 114.5 | Y643 A649 A716 Q717 | Y643-F653 AromaticContact CE2-CE2 3.96Å; Y643-F653 HydrophobicContact CE2-CE2 3.96Å; Y643-F653 HydrophobicContact CE2-CZ 4.22Å; Y643-F653 WeakPolarHBondContact OH-CZ 3.19Å; A649-F653 HydrophobicContact CB-CD2 4.47Å; A649-F653 HydrophobicContact CB-CE2 4.43Å; A649-F653 WeakPolarHBondContact O-CD2 3.36Å; A649-F653 PolarHBondContact O-N 3.27Å; F653-A716 HydrophobicContact CB-CB 3.61Å; F653-Q717 HydrophobicContact CD1-CG 4.21Å; F653-Q717 HydrophobicContact CD2-CG 4.44Å; F653-Q717 HydrophobicContact CG-CG 4.14Å |
| 654 | A | 84.4 | Confident | 77.7 | Confident | 13 Ų | 13 | 72.5 Ų | 72.5 | 11% | 0.107 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -102.1 | 144.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V650 E656 A716 L726 V729 | V650-A654 HydrophobicContact CG1-CB 4.06Å; V650-A654 WeakPolarHBondContact O-CA 3.4Å; V650-A654 VanDerWaalsContact O-CB 3.25Å; V650-A654 WeakPolarHBondContact O-CB 3.37Å; V650-A654 PolarHBondContact O-N 2.95Å; A654-E656 PolarHBondContact O-N 2.96Å; A654-A716 HydrophobicContact CB-CB 3.97Å; A654-L726 HydrophobicContact CB-CD2 3.76Å; A654-V729 HydrophobicContact CB-CG1 4.21Å; A654-V729 HydrophobicContact CB-CG2 4.04Å |
| 655 | R | 88.1 | Confident | 79.5 | Confident | 120 Ų | 120 | 66 Ų | 66 | 45% | 0.453 | 33% | 0.328 | S | S | . | . | trans | -77.9 | 113.8 | 174.5 | -179.4 | 175.4 | 65.6 | -175.7 | 0.4 | 111.1 | I657 E727 G728 V729 | R655-I657 HydrophobicContact CG-CG1 4.46Å; R655-E727 PolarHBondContact NE-O 3.33Å; R655-E727 PolarHBondContact NH2-O 3.02Å; R655-E727 IonicContact NH2-OE2 3.86Å; R655-E727 PolarHBondContact NH2-OE2 3.12Å; R655-E727 VanDerWaalsContact NH2-OE2 3.07Å; R655-G728 CarbonylContact O-C 3.54Å; R655-G728 WeakPolarHBondContact O-CA 3.45Å; R655-V729 PolarHBondContact O-N 3.4Å | ||
| 656 | E | 90.1 | Very high | 80.9 | Confident | 57 Ų | 57 | 69.5 Ų | 69.5 | 27% | 0.266 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 136.9 | 167.2 | -177.1 | 70.3 | -168.3 | 0 | 0 | 110.4 | A654 V729 T731 H732 | A654-E656 PolarHBondContact O-N 2.96Å; E656-V729 CarbonylContact C-O 3.42Å; E656-V729 WeakPolarHBondContact CA-O 3.05Å; E656-T731 VanDerWaalsContact CD-N 3.35Å; E656-T731 VanDerWaalsContact CD-OG1 3.28Å; E656-T731 PolarHBondContact OE1-N 2.97Å; E656-T731 PolarHBondContact OE1-OG1 3.29Å; E656-T731 WeakPolarHBondContact OE2-CB 3.46Å; E656-T731 PolarHBondContact OE2-N 3.44Å; E656-T731 PolarHBondContact OE2-OG1 3.41Å; E656-H732 IonicContact OE1-CG 2.7Å; E656-H732 PolarHBondContact OE1-N 2.7Å; E656-H732 IonicContact OE1-ND1 3.72Å |
| 657 | I | 89.6 | Confident | 82.2 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 5% | 0.046 | 36% | 0.356 | C | S | . | . | trans | -122.7 | 130.8 | -178.7 | -66 | 164.6 | 0 | 0 | 0 | 109.6 | R655 A659 R661 I662 M681 V729 V730 I739 | R655-I657 HydrophobicContact CG-CG1 4.46Å; I657-A659 PolarHBondContact O-N 2.88Å; I657-R661 HydrophobicContact CG2-CB 4.35Å; I657-I662 HydrophobicContact CG2-CD1 4.02Å; I657-I662 HydrophobicContact CG2-CG1 4.11Å; I657-M681 HydrophobicContact CD1-SD 3.61Å; I657-V729 PolarHBondContact N-O 2.9Å; I657-V730 HydrophobicContact CB-CG2 4.44Å; I657-V730 WeakPolarHBondContact O-CG2 3.37Å; I657-I739 HydrophobicContact CB-CD1 4.08Å; I657-I739 HydrophobicContact CD1-CD1 3.56Å; I657-I739 HydrophobicContact CG1-CD1 4.4Å; I657-I739 HydrophobicContact CG2-CD1 4.26Å | ||
| 658 | E | 88.4 | Confident | 83.3 | Confident | 107 Ų | 107 | 74.2 Ų | 74.2 | 50% | 0.5 | 36% | 0.36 | S | S | . | . | trans | -60.8 | 125.2 | 172.6 | -67.3 | 170.2 | 178.2 | 0 | 0 | 111 | S660 R661 | E658-S660 PolarHBondContact O-N 2.96Å; E658-S660 VanDerWaalsContact O-N 3.08Å; E658-R661 HydrophobicContact CB-CG 4.13Å; E658-R661 WeakPolarHBondContact O-CB 3.49Å; E658-R661 PolarHBondContact O-N 3.41Å; E658-R661 IonicContact OE1-NH2 2.88Å; E658-R661 PolarHBondContact OE1-NH2 3.4Å; E658-R661 IonicContact OE2-CZ 3.78Å; E658-R661 IonicContact OE2-NE 3.74Å; E658-R661 PolarHBondContact OE2-NE 3.11Å; E658-R661 IonicContact OE2-NH2 3.78Å; E658-R661 PolarHBondContact OE2-NH2 3.46Å | ||
| 659 | A | 87.1 | Confident | 83.9 | Confident | 39 Ų | 39 | 70.1 Ų | 70.1 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -56.5 | -29.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | I657 R661 I662 V730 S733 | I657-A659 PolarHBondContact O-N 2.88Å; A659-R661 PolarHBondContact O-N 3.32Å; A659-R661 VanDerWaalsContact O-N 3.17Å; A659-I662 PolarHBondContact O-N 3.11Å; A659-V730 HydrophobicContact CB-CG1 4.06Å; A659-S733 WeakPolarHBondContact CB-OG 3.43Å |
| 660 | S | 88.4 | Confident | 84.2 | Confident | 103 Ų | 103 | 75.4 Ų | 75.4 | 72% | 0.72 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -61.5 | -18.5 | 174.6 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | E658 | E658-S660 PolarHBondContact O-N 2.96Å; E658-S660 VanDerWaalsContact O-N 3.08Å |
| 661 | R | 89.3 | Confident | 83.8 | Confident | 82 Ų | 82 | 76.8 Ų | 76.8 | 31% | 0.309 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -87.9 | -7.5 | 176.4 | -58.8 | -177.5 | -169.6 | -163.9 | 4.9 | 113.2 | I657 E658 A659 M681 R682 | I657-R661 HydrophobicContact CG2-CB 4.35Å; E658-R661 HydrophobicContact CB-CG 4.13Å; E658-R661 WeakPolarHBondContact O-CB 3.49Å; E658-R661 PolarHBondContact O-N 3.41Å; E658-R661 IonicContact OE1-NH2 2.88Å; E658-R661 PolarHBondContact OE1-NH2 3.4Å; E658-R661 IonicContact OE2-CZ 3.78Å; E658-R661 IonicContact OE2-NE 3.74Å; E658-R661 PolarHBondContact OE2-NE 3.11Å; E658-R661 IonicContact OE2-NH2 3.78Å; E658-R661 PolarHBondContact OE2-NH2 3.46Å; A659-R661 PolarHBondContact O-N 3.32Å; A659-R661 VanDerWaalsContact O-N 3.17Å; R661-M681 WeakPolarHBondContact O-CA 3.43Å; R661-R682 HydrophobicContact CB-CB 4.34Å; R661-R682 PolarHBondContact O-N 3.13Å |
| 662 | I | 90.8 | Very high | 83.5 | Confident | 22 Ų | 22 | 77.4 Ų | 77.4 | 11% | 0.113 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.4 | -177.9 | -57.4 | -58.6 | 0 | 0 | 0 | 109.8 | I657 A659 M681 L693 I739 | I657-I662 HydrophobicContact CG2-CD1 4.02Å; I657-I662 HydrophobicContact CG2-CG1 4.11Å; A659-I662 PolarHBondContact O-N 3.11Å; I662-M681 HydrophobicContact CD1-CB 3.74Å; I662-M681 HydrophobicContact CD1-CG 3.69Å; I662-M681 HydrophobicContact CD1-SD 4.36Å; I662-L693 HydrophobicContact CG2-CD1 3.53Å; I662-L693 HydrophobicContact CG2-CD2 3.84Å; I662-L693 HydrophobicContact CG2-CG 4.37Å; I662-I739 HydrophobicContact CD1-CD1 3.63Å; I662-I739 HydrophobicContact CG1-CD1 3.94Å |
| 663 | K | 90.6 | Very high | 83.1 | Confident | 114 Ų | 114 | 72.5 Ų | 72.5 | 50% | 0.496 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 108 | 170.7 | -173.8 | -168.4 | 174.1 | -154.2 | 0 | 109 | E665 G679 R680 | K663-E665 HydrophobicContact CD-CG 4.23Å; K663-E665 WeakPolarHBondContact CE-OE1 3.13Å; K663-E665 HydrophobicContact CG-CG 4.3Å; K663-E665 IonicContact NZ-OE1 3.17Å; K663-E665 PolarHBondContact NZ-OE1 2.78Å; K663-G679 CarbonylContact O-C 3.5Å; K663-G679 WeakPolarHBondContact O-CA 3.4Å; K663-R680 PolarHBondContact N-O 2.82Å; K663-R680 PolarHBondContact O-N 3.06Å |
| 664 | I | 90.1 | Very high | 83 | Confident | 87 Ų | 87 | 70 Ų | 70 | 45% | 0.446 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 129.4 | 169.7 | -57.2 | 174.9 | 0 | 0 | 0 | 107.8 | C677 L693 M737 | I664-C677 HydrophobicContact CG2-CB 3.73Å; I664-L693 HydrophobicContact CB-CD1 4.47Å; I664-L693 HydrophobicContact CG1-CD1 3.75Å; I664-M737 HydrophobicContact CD1-SD 4.47Å |
| 665 | E | 90 | Very high | 82.8 | Confident | 69 Ų | 69 | 73.7 Ų | 73.7 | 32% | 0.322 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | -39 | -178.8 | -59.9 | -159 | 135.3 | 0 | 0 | 113.1 | K663 Y678 R680 | K663-E665 HydrophobicContact CD-CG 4.23Å; K663-E665 WeakPolarHBondContact CE-OE1 3.13Å; K663-E665 HydrophobicContact CG-CG 4.3Å; K663-E665 IonicContact NZ-OE1 3.17Å; K663-E665 PolarHBondContact NZ-OE1 2.78Å; E665-Y678 HydrophobicContact CB-CD1 4.03Å; E665-Y678 HydrophobicContact CB-CE1 4.24Å; E665-Y678 PolarHBondContact N-O 2.95Å; E665-Y678 WeakPolarHBondContact OE2-CE1 3.48Å; E665-R680 IonicContact OE1-NE 3.07Å; E665-R680 PolarHBondContact OE1-NE 2.87Å; E665-R680 IonicContact OE2-CZ 2.86Å; E665-R680 IonicContact OE2-NE 3.63Å; E665-R680 PolarHBondContact OE2-NE 2.87Å; E665-R680 IonicContact OE2-NH2 3.63Å |
| 666 | K | 90.1 | Very high | 82.8 | Confident | 145 Ų | 145 | 69.7 Ų | 69.7 | 63% | 0.63 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 143.1 | -178.6 | -172.7 | -169 | 165.8 | -176.3 | 0 | 112.1 | C677 Y678 | K666-C677 CarbonylContact O-C 3.52Å; K666-C677 VanDerWaalsContact O-CA 3.28Å; K666-C677 WeakPolarHBondContact O-CA 3.04Å; K666-Y678 PolarHBondContact N-O 3.36Å; K666-Y678 VanDerWaalsContact N-O 3.11Å; K666-Y678 PolarHBondContact O-N 2.97Å |
| 667 | I | 86.7 | Confident | 82.7 | Confident | 89 Ų | 89 | 67.1 Ų | 67.1 | 46% | 0.456 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 127.5 | 166.3 | -58.2 | 163.2 | 0 | 0 | 0 | 109.5 | E675 | I667-E675 VanDerWaalsContact CD1-OE2 3.31Å; I667-E675 WeakPolarHBondContact CD1-OE2 3.1Å; I667-E675 HydrophobicContact CG2-CB 4.4Å |
| 668 | I | 84.4 | Confident | 82.8 | Confident | 72 Ų | 72 | 69 Ų | 69 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -15.9 | -180 | 58 | 174 | 0 | 0 | 0 | 113.6 | V676 Y742 | I668-V676 HydrophobicContact CD1-CG1 4.03Å; I668-V676 HydrophobicContact CG1-CB 4.27Å; I668-V676 HydrophobicContact CG1-CG1 3.95Å; I668-V676 WeakPolarHBondContact CG1-O 3.23Å; I668-V676 PolarHBondContact N-O 3.04Å; I668-Y742 HydrophobicContact CD1-CD2 4.17Å; I668-Y742 HydrophobicContact CD1-CE2 3.73Å |
| 669 | G | 78.1 | Confident | 83.1 | Confident | 30 Ų | 30 | 63.9 Ų | 63.9 | 31% | 0.309 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.1 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V676 | G669-V676 PolarHBondContact N-O 3.44Å; G669-V676 PolarHBondContact O-N 3.28Å |
| 670 | S | 71.8 | Confident | 83.3 | Confident | 112 Ų | 112 | 66.7 Ų | 66.7 | 78% | 0.783 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.5 | 173.3 | 51.7 | 0 | 0 | 0 | 0 | 109.3 | ||
| 671 | G | 63.5 | Low | 83.5 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 34% | 0.34 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | -177.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F673 G674 | G671-F673 VanDerWaalsContact C-N 3.32Å; G671-F673 PolarHBondContact O-N 3.47Å; G671-G674 PolarHBondContact N-O 2.93Å; G671-G674 PolarHBondContact O-N 3.31Å |
| 672 | E | 64 | Low | 83.5 | Confident | 151 Ų | 151 | 64.6 Ų | 64.6 | 71% | 0.706 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -46.7 | -177 | -175.1 | 176.2 | -153.4 | 0 | 0 | 113.1 | ||
| 673 | F | 64.1 | Low | 82.9 | Confident | 14 Ų | 14 | 65 Ų | 65 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -15.4 | -174.9 | -56.1 | -75.6 | 0 | 0 | 0 | 114.8 | G671 L696 K697 D707 F708 | G671-F673 VanDerWaalsContact C-N 3.32Å; G671-F673 PolarHBondContact O-N 3.47Å; F673-L696 HydrophobicContact CB-CD1 3.89Å; F673-L696 HydrophobicContact CD1-CD1 4.44Å; F673-K697 PolarHBondContact O-N 3.4Å; F673-K697 VanDerWaalsContact O-N 3.14Å; F673-D707 HydrophobicContact CE1-CB 3.85Å; F673-D707 HydrophobicContact CZ-CB 4.22Å; F673-F708 HydrophobicContact CB-CD2 3.48Å; F673-F708 VanDerWaalsContact CB-CD2 3.48Å; F673-F708 HydrophobicContact CB-CE2 3.94Å; F673-F708 HydrophobicContact CB-CG 4.43Å; F673-F708 HydrophobicContact CD1-CB 4.1Å; F673-F708 HydrophobicContact CD1-CD2 4.35Å; F673-F708 HydrophobicContact CD2-CD2 4.08Å; F673-F708 HydrophobicContact CG-CB 4.25Å; F673-F708 AromaticContact CG-CD2 3.69Å; F673-F708 HydrophobicContact CG-CD2 3.69Å; F673-F708 HydrophobicContact CG-CG 4.46Å |
| 674 | G | 72.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.8 | -161.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | G671 T695 | G671-G674 PolarHBondContact N-O 2.93Å; G671-G674 PolarHBondContact O-N 3.31Å; G674-T695 VanDerWaalsContact CA-O 3.26Å; G674-T695 WeakPolarHBondContact CA-O 3.43Å |
| 675 | E | 81.9 | Confident | 81.2 | Confident | 91 Ų | 91 | 64.7 Ų | 64.7 | 43% | 0.425 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 139.7 | -176 | -62.9 | -178.4 | 160.5 | 0 | 0 | 110.2 | I667 T695 | I667-E675 VanDerWaalsContact CD1-OE2 3.31Å; I667-E675 WeakPolarHBondContact CD1-OE2 3.1Å; I667-E675 HydrophobicContact CG2-CB 4.4Å; E675-T695 PolarHBondContact N-OG1 3.19Å; E675-T695 PolarHBondContact O-N 3.23Å; E675-T695 PolarHBondContact O-OG1 3.48Å |
| 676 | V | 86.6 | Confident | 80.6 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 22% | 0.218 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 119.6 | 169.6 | -169.9 | 0 | 0 | 0 | 0 | 107.1 | I668 G669 L693 K694 | I668-V676 HydrophobicContact CD1-CG1 4.03Å; I668-V676 HydrophobicContact CG1-CB 4.27Å; I668-V676 HydrophobicContact CG1-CG1 3.95Å; I668-V676 WeakPolarHBondContact CG1-O 3.23Å; I668-V676 PolarHBondContact N-O 3.04Å; G669-V676 PolarHBondContact N-O 3.44Å; G669-V676 PolarHBondContact O-N 3.28Å; V676-L693 WeakPolarHBondContact CA-O 3.28Å; V676-K694 HydrophobicContact CG2-CG 4.36Å |
| 677 | C | 88.6 | Confident | 80.1 | Confident | 4 Ų | 4 | 72.7 Ų | 72.7 | 3% | 0.027 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142.6 | -178.3 | -57 | 0 | 0 | 0 | 0 | 111.3 | I664 K666 A692 L693 | I664-C677 HydrophobicContact CG2-CB 3.73Å; K666-C677 CarbonylContact O-C 3.52Å; K666-C677 VanDerWaalsContact O-CA 3.28Å; K666-C677 WeakPolarHBondContact O-CA 3.04Å; C677-A692 CarbonylContact O-C 3.58Å; C677-L693 HydrophobicContact CB-CB 4.26Å; C677-L693 PolarHBondContact N-O 3.08Å; C677-L693 WeakPolarHBondContact O-CB 3.36Å; C677-L693 PolarHBondContact O-N 2.71Å |
| 678 | Y | 92.2 | Very high | 80.1 | Confident | 48 Ų | 48 | 71.3 Ų | 71.3 | 19% | 0.188 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 136.8 | 160.1 | 170.6 | -100.5 | 0 | 0 | 0 | 109.4 | E665 K666 P690 Y742 | E665-Y678 HydrophobicContact CB-CD1 4.03Å; E665-Y678 HydrophobicContact CB-CE1 4.24Å; E665-Y678 PolarHBondContact N-O 2.95Å; E665-Y678 WeakPolarHBondContact OE2-CE1 3.48Å; K666-Y678 PolarHBondContact N-O 3.36Å; K666-Y678 VanDerWaalsContact N-O 3.11Å; K666-Y678 PolarHBondContact O-N 2.97Å; Y678-P690 HydrophobicContact CE2-CB 3.79Å; Y678-Y742 AromaticContact CD2-CD1 3.77Å; Y678-Y742 HydrophobicContact CD2-CD1 3.77Å; Y678-Y742 AromaticContact CD2-CD2 3.68Å; Y678-Y742 HydrophobicContact CD2-CD2 3.68Å; Y678-Y742 AromaticContact CD2-CE1 3.77Å; Y678-Y742 HydrophobicContact CD2-CE1 3.77Å; Y678-Y742 AromaticContact CD2-CE2 3.69Å; Y678-Y742 HydrophobicContact CD2-CE2 3.69Å; Y678-Y742 AromaticContact CD2-CG 3.72Å; Y678-Y742 HydrophobicContact CD2-CG 3.72Å; Y678-Y742 AromaticContact CD2-CZ 3.73Å; Y678-Y742 AromaticContact CE2-CD1 3.67Å; Y678-Y742 HydrophobicContact CE2-CD1 3.67Å; Y678-Y742 HydrophobicContact CE2-CD2 4.39Å; Y678-Y742 AromaticContact CE2-CE1 3.81Å; Y678-Y742 HydrophobicContact CE2-CE1 3.81Å; Y678-Y742 AromaticContact CE2-CG 3.97Å; Y678-Y742 HydrophobicContact CE2-CG 3.97Å; Y678-Y742 HydrophobicContact CG-CE2 4.41Å |
| 679 | G | 93.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | -175.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | K663 V691 | K663-G679 CarbonylContact O-C 3.5Å; K663-G679 WeakPolarHBondContact O-CA 3.4Å; G679-V691 PolarHBondContact N-O 2.93Å; G679-V691 WeakPolarHBondContact O-CG2 3.33Å; G679-V691 PolarHBondContact O-N 2.84Å |
| 680 | R | 92.6 | Very high | 81.1 | Confident | 97 Ų | 97 | 71.4 Ų | 71.4 | 37% | 0.366 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.9 | 176.7 | -65.8 | -179.5 | -171.7 | -116.4 | -0.9 | 110.6 | K663 E665 D688 I689 | K663-R680 PolarHBondContact N-O 2.82Å; K663-R680 PolarHBondContact O-N 3.06Å; E665-R680 IonicContact OE1-NE 3.07Å; E665-R680 PolarHBondContact OE1-NE 2.87Å; E665-R680 IonicContact OE2-CZ 2.86Å; E665-R680 IonicContact OE2-NE 3.63Å; E665-R680 PolarHBondContact OE2-NE 2.87Å; E665-R680 IonicContact OE2-NH2 3.63Å; R680-D688 HydrophobicContact CB-CB 4.3Å; R680-I689 CarbonylContact C-O 3.54Å; R680-I689 WeakPolarHBondContact CA-O 3.05Å |
| 681 | M | 92.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.9 | 173.8 | 177.7 | 178.3 | 63 | 0 | 0 | 110.6 | I657 R661 I662 L683 D688 I689 V691 E727 I739 | I657-M681 HydrophobicContact CD1-SD 3.61Å; R661-M681 WeakPolarHBondContact O-CA 3.43Å; I662-M681 HydrophobicContact CD1-CB 3.74Å; I662-M681 HydrophobicContact CD1-CG 3.69Å; I662-M681 HydrophobicContact CD1-SD 4.36Å; M681-L683 HydrophobicContact CE-CD1 4.09Å; M681-L683 HydrophobicContact CE-CD2 4.08Å; M681-L683 HydrophobicContact CE-CG 4.05Å; M681-L683 HydrophobicContact CG-CD2 4.3Å; M681-L683 HydrophobicContact SD-CD2 4.04Å; M681-D688 WeakPolarHBondContact O-CA 2.95Å; M681-I689 HydrophobicContact CE-CD1 4.34Å; M681-I689 PolarHBondContact N-O 3.27Å; M681-I689 PolarHBondContact O-N 2.92Å; M681-V691 HydrophobicContact CB-CG1 3.79Å; M681-V691 HydrophobicContact CB-CG2 4.01Å; M681-V691 HydrophobicContact CE-CG1 4.14Å; M681-E727 HydrophobicContact CE-CB 3.87Å; M681-E727 HydrophobicContact CE-CG 3.82Å; M681-E727 HydrophobicContact SD-CB 4.22Å; M681-I739 HydrophobicContact SD-CG2 4.44Å |
| 682 | R | 89.2 | Confident | 83.7 | Confident | 142 Ų | 142 | 65.1 Ų | 65.1 | 54% | 0.536 | 33% | 0.328 | S | S | . | . | trans | -95.5 | 121.1 | 173.8 | -68.6 | -175.2 | 170.8 | 171.1 | -2.1 | 111 | R661 D688 | R661-R682 HydrophobicContact CB-CB 4.34Å; R661-R682 PolarHBondContact O-N 3.13Å; R682-D688 IonicContact CZ-OD2 3.42Å; R682-D688 IonicContact NE-OD1 2.84Å; R682-D688 IonicContact NE-OD2 3.28Å; R682-D688 PolarHBondContact NE-OD2 3.11Å; R682-D688 IonicContact NH2-OD2 3.49Å | ||
| 683 | L | 77.5 | Confident | 85 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 16% | 0.157 | 29% | 0.294 | C | S | . | . | trans | -108.1 | 141.4 | 170 | -63.9 | -178 | 0 | 0 | 0 | 109.9 | M681 G685 K686 I689 | M681-L683 HydrophobicContact CE-CD1 4.09Å; M681-L683 HydrophobicContact CE-CD2 4.08Å; M681-L683 HydrophobicContact CE-CG 4.05Å; M681-L683 HydrophobicContact CG-CD2 4.3Å; M681-L683 HydrophobicContact SD-CD2 4.04Å; L683-G685 PolarHBondContact O-N 3.25Å; L683-K686 HydrophobicContact CB-CB 4.22Å; L683-K686 HydrophobicContact CD1-CD 4.37Å; L683-K686 PolarHBondContact O-N 2.82Å; L683-K686 VanDerWaalsContact O-N 3.1Å; L683-I689 HydrophobicContact CD1-CD1 3.67Å; L683-I689 HydrophobicContact CG-CD1 4.31Å | ||
| 684 | P | 75.3 | Confident | 86.2 | Confident | 101 Ų | 101 | 59 Ų | 59 | 66% | 0.656 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 126.5 | 177.6 | -26 | 34.8 | 0 | 0 | 0 | 111.7 | K686 | P684-K686 VanDerWaalsContact C-N 3.27Å; P684-K686 PolarHBondContact O-N 2.74Å |
| 685 | G | 69.8 | Low | 86.9 | Confident | 93 Ų | 93 | 59.8 Ų | 59.8 | 96% | 0.959 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 7.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | L683 | L683-G685 PolarHBondContact O-N 3.25Š|
| 686 | K | 78 | Confident | 86.9 | Confident | 149 Ų | 149 | 55.8 Ų | 55.8 | 65% | 0.648 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -120.2 | 160.3 | 176 | -64.4 | -172.7 | 177.8 | -176.1 | 0 | 111.6 | L683 P684 | L683-K686 HydrophobicContact CB-CB 4.22Å; L683-K686 HydrophobicContact CD1-CD 4.37Å; L683-K686 PolarHBondContact O-N 2.82Å; L683-K686 VanDerWaalsContact O-N 3.1Å; P684-K686 VanDerWaalsContact C-N 3.27Å; P684-K686 PolarHBondContact O-N 2.74Å |
| 687 | R | 80.8 | Confident | 86.6 | Confident | 233 Ų | 233 | 60.2 Ų | 60.2 | 88% | 0.879 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 148.9 | 170.7 | -66 | -177.5 | 178.1 | -177.4 | -0.5 | 110.3 | I689 | R687-I689 WeakPolarHBondContact O-CG1 3.34Å; R687-I689 PolarHBondContact O-N 2.88Å |
| 688 | D | 86.5 | Confident | 85.9 | Confident | 60 Ų | 60 | 65 Ų | 65 | 32% | 0.321 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -50.5 | 122.3 | 174 | -65.9 | 31.4 | 0 | 0 | 0 | 111.1 | R680 M681 R682 | R680-D688 HydrophobicContact CB-CB 4.3Å; M681-D688 WeakPolarHBondContact O-CA 2.95Å; R682-D688 IonicContact CZ-OD2 3.42Å; R682-D688 IonicContact NE-OD1 2.84Å; R682-D688 IonicContact NE-OD2 3.28Å; R682-D688 PolarHBondContact NE-OD2 3.11Å; R682-D688 IonicContact NH2-OD2 3.49Å |
| 689 | I | 91.1 | Very high | 85.1 | Confident | 45 Ų | 45 | 66.7 Ų | 66.7 | 23% | 0.231 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 133 | -175.5 | -55.9 | -177.5 | 0 | 0 | 0 | 109.6 | R680 M681 L683 R687 V691 | R680-I689 CarbonylContact C-O 3.54Å; R680-I689 WeakPolarHBondContact CA-O 3.05Å; M681-I689 HydrophobicContact CE-CD1 4.34Å; M681-I689 PolarHBondContact N-O 3.27Å; M681-I689 PolarHBondContact O-N 2.92Å; L683-I689 HydrophobicContact CD1-CD1 3.67Å; L683-I689 HydrophobicContact CG-CD1 4.31Å; R687-I689 WeakPolarHBondContact O-CG1 3.34Å; R687-I689 PolarHBondContact O-N 2.88Å; I689-V691 HydrophobicContact CG2-CG1 4.47Å |
| 690 | P | 92.6 | Very high | 84.3 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 38% | 0.383 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 129 | 172.8 | 29.3 | -33.8 | 0 | 0 | 0 | 110.9 | Y678 Y742 | Y678-P690 HydrophobicContact CE2-CB 3.79Å; P690-Y742 HydrophobicContact CB-CD1 4.36Å |
| 691 | V | 94.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 150.6 | -176.5 | -68.9 | 0 | 0 | 0 | 0 | 111.6 | G679 M681 I689 L693 E727 I739 T740 | G679-V691 PolarHBondContact N-O 2.93Å; G679-V691 WeakPolarHBondContact O-CG2 3.33Å; G679-V691 PolarHBondContact O-N 2.84Å; M681-V691 HydrophobicContact CB-CG1 3.79Å; M681-V691 HydrophobicContact CB-CG2 4.01Å; M681-V691 HydrophobicContact CE-CG1 4.14Å; I689-V691 HydrophobicContact CG2-CG1 4.47Å; V691-L693 HydrophobicContact CB-CD2 4.49Å; V691-L693 HydrophobicContact CG2-CD2 3.8Å; V691-L693 HydrophobicContact CG2-CG 4.1Å; V691-E727 HydrophobicContact CG1-CG 4.17Å; V691-I739 HydrophobicContact CB-CG2 3.79Å; V691-I739 HydrophobicContact CG1-CG2 3.85Å; V691-I739 HydrophobicContact CG2-CG2 4.1Å; V691-T740 WeakPolarHBondContact CA-O 3.28Å; V691-T740 WeakPolarHBondContact CB-O 3.32Å |
| 692 | A | 93.6 | Very high | 83.1 | Confident | 13 Ų | 13 | 72.9 Ų | 72.9 | 11% | 0.107 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 136.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | C677 I739 T740 Y742 | C677-A692 CarbonylContact O-C 3.58Å; A692-I739 WeakPolarHBondContact O-CA 3.45Å; A692-T740 WeakPolarHBondContact CB-OG1 3.44Å; A692-T740 PolarHBondContact N-O 2.89Å; A692-T740 PolarHBondContact O-N 3.49Å; A692-Y742 HydrophobicContact CB-CD2 4.41Å |
| 693 | L | 91.6 | Very high | 82.4 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 100 | -172.2 | -58.5 | 172.8 | 0 | 0 | 0 | 108.2 | I662 I664 V676 C677 V691 I738 I739 | I662-L693 HydrophobicContact CG2-CD1 3.53Å; I662-L693 HydrophobicContact CG2-CD2 3.84Å; I662-L693 HydrophobicContact CG2-CG 4.37Å; I664-L693 HydrophobicContact CB-CD1 4.47Å; I664-L693 HydrophobicContact CG1-CD1 3.75Å; V676-L693 WeakPolarHBondContact CA-O 3.28Å; C677-L693 HydrophobicContact CB-CB 4.26Å; C677-L693 PolarHBondContact N-O 3.08Å; C677-L693 WeakPolarHBondContact O-CB 3.36Å; C677-L693 PolarHBondContact O-N 2.71Å; V691-L693 HydrophobicContact CB-CD2 4.49Å; V691-L693 HydrophobicContact CG2-CD2 3.8Å; V691-L693 HydrophobicContact CG2-CG 4.1Å; L693-I738 WeakPolarHBondContact CA-O 3.3Å; L693-I739 HydrophobicContact CD2-CB 4.18Å; L693-I739 HydrophobicContact CD2-CD1 4.39Å; L693-I739 HydrophobicContact CD2-CG1 3.71Å; L693-I739 HydrophobicContact CD2-CG2 3.83Å |
| 694 | K | 90.1 | Very high | 82.3 | Confident | 37 Ų | 37 | 73.1 Ų | 73.1 | 16% | 0.161 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 122.7 | 168.8 | -146.5 | -179.9 | -170 | 173.6 | 0 | 106.6 | V676 F708 E711 M737 I738 | V676-K694 HydrophobicContact CG2-CG 4.36Å; K694-F708 HydrophobicContact CB-CE2 4.12Å; K694-F708 HydrophobicContact CB-CZ 4.3Å; K694-F708 HydrophobicContact CD-CD2 4.48Å; K694-F708 HydrophobicContact CD-CE2 3.91Å; K694-F708 HydrophobicContact CG-CE2 3.89Å; K694-F708 WeakPolarHBondContact O-CZ 3.49Å; K694-E711 IonicContact NZ-OE1 2.8Å; K694-E711 PolarHBondContact NZ-OE1 3.37Å; K694-E711 IonicContact NZ-OE2 2.99Å; K694-E711 PolarHBondContact NZ-OE2 3.48Å; K694-M737 CarbonylContact O-C 3.43Å; K694-M737 VanDerWaalsContact O-CA 3.26Å; K694-M737 WeakPolarHBondContact O-CA 3.47Å; K694-I738 HydrophobicContact CB-CB 4.1Å; K694-I738 PolarHBondContact N-O 3.04Å; K694-I738 PolarHBondContact O-N 3.19Å |
| 695 | T | 86.6 | Confident | 82.6 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 10% | 0.104 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 142.5 | 179.9 | 62.8 | 0 | 0 | 0 | 0 | 110.4 | G674 E675 M737 | G674-T695 VanDerWaalsContact CA-O 3.26Å; G674-T695 WeakPolarHBondContact CA-O 3.43Å; E675-T695 PolarHBondContact N-OG1 3.19Å; E675-T695 PolarHBondContact O-N 3.23Å; E675-T695 PolarHBondContact O-OG1 3.48Å; T695-M737 HydrophobicContact CG2-CG 4.17Å |
| 696 | L | 82.8 | Confident | 83 | Confident | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 124 | 176.4 | -170 | 62 | 0 | 0 | 0 | 110.6 | F673 Y700 K705 F708 V736 | F673-L696 HydrophobicContact CB-CD1 3.89Å; F673-L696 HydrophobicContact CD1-CD1 4.44Å; L696-Y700 HydrophobicContact CB-CD1 4.4Å; L696-Y700 HydrophobicContact CD2-CD1 3.38Å; L696-Y700 HydrophobicContact CD2-CD2 4.12Å; L696-Y700 HydrophobicContact CD2-CE1 3.55Å; L696-Y700 HydrophobicContact CD2-CE2 4.29Å; L696-Y700 HydrophobicContact CD2-CG 3.69Å; L696-Y700 HydrophobicContact CG-CD1 3.47Å; L696-Y700 VanDerWaalsContact CG-CD1 3.47Å; L696-Y700 HydrophobicContact CG-CE1 4.03Å; L696-Y700 HydrophobicContact CG-CG 3.92Å; L696-K705 HydrophobicContact CD2-CB 4.21Å; L696-K705 HydrophobicContact CD2-CG 4.21Å; L696-F708 HydrophobicContact CB-CD1 4.16Å; L696-F708 HydrophobicContact CB-CE1 3.89Å; L696-F708 HydrophobicContact CB-CE2 4.4Å; L696-F708 HydrophobicContact CB-CZ 4.01Å; L696-F708 HydrophobicContact CD1-CB 4.06Å; L696-F708 HydrophobicContact CD1-CD1 4.31Å; L696-F708 HydrophobicContact CD1-CD2 4.08Å; L696-F708 HydrophobicContact CD1-CG 3.93Å; L696-F708 HydrophobicContact CD2-CD1 4.07Å; L696-F708 HydrophobicContact CD2-CG 4.41Å; L696-F708 HydrophobicContact CG-CD1 4.41Å; L696-V736 HydrophobicContact CB-CB 4.19Å; L696-V736 HydrophobicContact CD2-CB 4.33Å; L696-V736 PolarHBondContact N-O 3.15Å |
| 697 | K | 78.8 | Confident | 83 | Confident | 129 Ų | 129 | 65.8 Ų | 65.8 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 143.4 | -176.2 | -70.2 | 177.5 | -177.6 | 176.1 | 0 | 112.9 | F673 G699 Y700 | F673-K697 PolarHBondContact O-N 3.4Å; F673-K697 VanDerWaalsContact O-N 3.14Å; K697-G699 PolarHBondContact O-N 2.72Å; K697-Y700 VanDerWaalsContact O-CD1 3.28Å; K697-Y700 WeakPolarHBondContact O-CD1 3.26Å; K697-Y700 PolarHBondContact O-N 2.93Å |
| 698 | A | 75.6 | Confident | 83 | Confident | 105 Ų | 105 | 54.7 Ų | 54.7 | 87% | 0.868 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 138.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 699 | G | 75.6 | Confident | 82.9 | Confident | 82 Ų | 82 | 52 Ų | 52 | 85% | 0.845 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | 15.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | K697 | K697-G699 PolarHBondContact O-N 2.72Š|
| 700 | Y | 76.2 | Confident | 82.4 | Confident | 54 Ų | 54 | 50.1 Ų | 50.1 | 21% | 0.212 | 28% | 0.279 | C | S | . | . | trans | -59.8 | 153.1 | 175.1 | 63.2 | -108.5 | 0 | 0 | 0 | 113.4 | L696 K697 K705 | L696-Y700 HydrophobicContact CB-CD1 4.4Å; L696-Y700 HydrophobicContact CD2-CD1 3.38Å; L696-Y700 HydrophobicContact CD2-CD2 4.12Å; L696-Y700 HydrophobicContact CD2-CE1 3.55Å; L696-Y700 HydrophobicContact CD2-CE2 4.29Å; L696-Y700 HydrophobicContact CD2-CG 3.69Å; L696-Y700 HydrophobicContact CG-CD1 3.47Å; L696-Y700 VanDerWaalsContact CG-CD1 3.47Å; L696-Y700 HydrophobicContact CG-CE1 4.03Å; L696-Y700 HydrophobicContact CG-CG 3.92Å; K697-Y700 VanDerWaalsContact O-CD1 3.28Å; K697-Y700 WeakPolarHBondContact O-CD1 3.26Å; K697-Y700 PolarHBondContact O-N 2.93Å; Y700-K705 HydrophobicContact CD2-CB 3.77Å; Y700-K705 HydrophobicContact CD2-CG 4.37Å; Y700-K705 HydrophobicContact CE2-CB 3.69Å; Y700-K705 HydrophobicContact CE2-CD 3.89Å; Y700-K705 HydrophobicContact CE2-CG 3.81Å | ||
| 701 | T | 80.8 | Confident | 81.9 | Confident | 77 Ų | 77 | 47.9 Ų | 47.9 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | trans | -83.2 | 155.8 | 167.5 | 62 | 0 | 0 | 0 | 0 | 111.6 | K703 Q704 K705 | T701-K703 PolarHBondContact O-N 2.68Å; T701-Q704 PolarHBondContact O-N 2.97Å; T701-Q704 VanDerWaalsContact O-N 3.08Å; T701-Q704 WeakPolarHBondContact OG1-CG 2.75Å; T701-Q704 PolarHBondContact OG1-N 3.19Å; T701-Q704 PolarHBondContact OG1-OE1 2.94Å; T701-K705 PolarHBondContact O-N 2.75Å | ||
| 702 | E | 77.1 | Confident | 81.5 | Confident | 97 Ų | 97 | 47.9 Ų | 47.9 | 45% | 0.453 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.7 | -24.2 | 174.8 | -69.1 | -59.9 | 120.2 | 0 | 0 | 112.8 | K705 R706 | E702-K705 WeakPolarHBondContact OE2-CD 3.36Å; E702-K705 IonicContact OE2-NZ 2.69Å; E702-K705 PolarHBondContact OE2-NZ 3.26Å; E702-R706 WeakPolarHBondContact O-CG 3.49Å; E702-R706 PolarHBondContact O-N 3.43Å |
| 703 | K | 74.6 | Confident | 81 | Confident | 90 Ų | 90 | 47.3 Ų | 47.3 | 39% | 0.391 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.4 | -53.2 | 169 | -173.9 | 174.2 | -178.1 | 173.1 | 0 | 110.3 | T701 K705 R706 D707 | T701-K703 PolarHBondContact O-N 2.68Å; K703-K705 VanDerWaalsContact C-N 3.27Å; K703-K705 PolarHBondContact O-N 3.29Å; K703-R706 PolarHBondContact O-N 3.37Å; K703-D707 VanDerWaalsContact O-CB 3.31Å; K703-D707 WeakPolarHBondContact O-CB 3.49Å; K703-D707 PolarHBondContact O-N 3.02Å |
| 704 | Q | 76.5 | Confident | 80.7 | Confident | 87 Ų | 87 | 47.3 Ų | 47.3 | 41% | 0.407 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.5 | -34.1 | 177.6 | -72.5 | 162.8 | -46.6 | 0 | 0 | 113.3 | T701 F708 | T701-Q704 PolarHBondContact O-N 2.97Å; T701-Q704 VanDerWaalsContact O-N 3.08Å; T701-Q704 WeakPolarHBondContact OG1-CG 2.75Å; T701-Q704 PolarHBondContact OG1-N 3.19Å; T701-Q704 PolarHBondContact OG1-OE1 2.94Å; Q704-F708 WeakPolarHBondContact O-CB 3.39Å; Q704-F708 PolarHBondContact O-N 2.97Å |
| 705 | K | 80.9 | Confident | 80.6 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 20% | 0.204 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67 | -47.1 | 174.4 | -173.7 | -154.6 | -179.6 | -167.9 | 0 | 112 | L696 Y700 T701 E702 K703 F708 L709 | L696-K705 HydrophobicContact CD2-CB 4.21Å; L696-K705 HydrophobicContact CD2-CG 4.21Å; Y700-K705 HydrophobicContact CD2-CB 3.77Å; Y700-K705 HydrophobicContact CD2-CG 4.37Å; Y700-K705 HydrophobicContact CE2-CB 3.69Å; Y700-K705 HydrophobicContact CE2-CD 3.89Å; Y700-K705 HydrophobicContact CE2-CG 3.81Å; T701-K705 PolarHBondContact O-N 2.75Å; E702-K705 WeakPolarHBondContact OE2-CD 3.36Å; E702-K705 IonicContact OE2-NZ 2.69Å; E702-K705 PolarHBondContact OE2-NZ 3.26Å; K703-K705 VanDerWaalsContact C-N 3.27Å; K703-K705 PolarHBondContact O-N 3.29Å; K705-F708 PolarHBondContact O-N 2.75Å; K705-L709 HydrophobicContact CG-CD1 4.21Å; K705-L709 WeakPolarHBondContact O-CB 3.29Å; K705-L709 WeakPolarHBondContact O-CG 3.22Å; K705-L709 PolarHBondContact O-N 3.4Å |
| 706 | R | 78.4 | Confident | 80.7 | Confident | 108 Ų | 108 | 46.3 Ų | 46.3 | 41% | 0.408 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 174.9 | -77.6 | -170.3 | -58.4 | -92.2 | 6.2 | 111.2 | P646 E702 K703 F708 L709 A710 | P646-R706 HydrophobicContact CB-CG 4.48Å; P646-R706 HydrophobicContact CG-CB 4.07Å; P646-R706 HydrophobicContact CG-CG 3.96Å; E702-R706 WeakPolarHBondContact O-CG 3.49Å; E702-R706 PolarHBondContact O-N 3.43Å; K703-R706 PolarHBondContact O-N 3.37Å; R706-F708 VanDerWaalsContact C-N 3.32Å; R706-F708 PolarHBondContact O-N 2.92Å; R706-L709 PolarHBondContact O-N 3.34Å; R706-A710 WeakPolarHBondContact O-CB 3.27Å; R706-A710 PolarHBondContact O-N 3.33Å |
| 707 | D | 77.1 | Confident | 80.9 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 18% | 0.176 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.5 | -43.3 | 177.3 | -84.5 | 17.8 | 0 | 0 | 0 | 112.7 | F673 K703 R810 | F673-D707 HydrophobicContact CE1-CB 3.85Å; F673-D707 HydrophobicContact CZ-CB 4.22Å; K703-D707 VanDerWaalsContact O-CB 3.31Å; K703-D707 WeakPolarHBondContact O-CB 3.49Å; K703-D707 PolarHBondContact O-N 3.02Å; D707-R810 VanDerWaalsContact CG-NH1 3.3Å; D707-R810 PolarHBondContact O-NH2 3.34Å; D707-R810 IonicContact OD1-NE 3.04Å; D707-R810 IonicContact OD2-CZ 3.56Å; D707-R810 IonicContact OD2-NE 3.55Å; D707-R810 IonicContact OD2-NH1 2.71Å; D707-R810 PolarHBondContact OD2-NH1 2.84Å |
| 708 | F | 82.6 | Confident | 81.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.1 | -48.7 | 175.4 | -177.7 | -106.2 | 0 | 0 | 0 | 111.8 | F673 K694 L696 Q704 K705 R706 A710 E711 V736 I738 | F673-F708 HydrophobicContact CB-CD2 3.48Å; F673-F708 VanDerWaalsContact CB-CD2 3.48Å; F673-F708 HydrophobicContact CB-CE2 3.94Å; F673-F708 HydrophobicContact CB-CG 4.43Å; F673-F708 HydrophobicContact CD1-CB 4.1Å; F673-F708 HydrophobicContact CD1-CD2 4.35Å; F673-F708 HydrophobicContact CD2-CD2 4.08Å; F673-F708 HydrophobicContact CG-CB 4.25Å; F673-F708 AromaticContact CG-CD2 3.69Å; F673-F708 HydrophobicContact CG-CD2 3.69Å; F673-F708 HydrophobicContact CG-CG 4.46Å; K694-F708 HydrophobicContact CB-CE2 4.12Å; K694-F708 HydrophobicContact CB-CZ 4.3Å; K694-F708 HydrophobicContact CD-CD2 4.48Å; K694-F708 HydrophobicContact CD-CE2 3.91Å; K694-F708 HydrophobicContact CG-CE2 3.89Å; K694-F708 WeakPolarHBondContact O-CZ 3.49Å; L696-F708 HydrophobicContact CB-CD1 4.16Å; L696-F708 HydrophobicContact CB-CE1 3.89Å; L696-F708 HydrophobicContact CB-CE2 4.4Å; L696-F708 HydrophobicContact CB-CZ 4.01Å; L696-F708 HydrophobicContact CD1-CB 4.06Å; L696-F708 HydrophobicContact CD1-CD1 4.31Å; L696-F708 HydrophobicContact CD1-CD2 4.08Å; L696-F708 HydrophobicContact CD1-CG 3.93Å; L696-F708 HydrophobicContact CD2-CD1 4.07Å; L696-F708 HydrophobicContact CD2-CG 4.41Å; L696-F708 HydrophobicContact CG-CD1 4.41Å; Q704-F708 WeakPolarHBondContact O-CB 3.39Å; Q704-F708 PolarHBondContact O-N 2.97Å; K705-F708 PolarHBondContact O-N 2.75Å; R706-F708 VanDerWaalsContact C-N 3.32Å; R706-F708 PolarHBondContact O-N 2.92Å; F708-A710 VanDerWaalsContact C-N 3.34Å; F708-A710 PolarHBondContact O-N 2.84Å; F708-E711 WeakPolarHBondContact O-CB 3.3Å; F708-E711 PolarHBondContact O-N 3.46Å; F708-V736 HydrophobicContact CD1-CG1 4.29Å; F708-V736 HydrophobicContact CE1-CB 4.46Å; F708-V736 HydrophobicContact CE1-CG1 3.96Å; F708-I738 HydrophobicContact CD1-CD1 3.88Å; F708-I738 HydrophobicContact CD1-CG1 4.17Å; F708-I738 HydrophobicContact CD2-CD1 3.85Å; F708-I738 HydrophobicContact CE1-CD1 3.74Å; F708-I738 HydrophobicContact CE1-CG1 3.62Å; F708-I738 HydrophobicContact CE2-CD1 3.74Å; F708-I738 HydrophobicContact CE2-CG1 4.23Å; F708-I738 HydrophobicContact CG-CD1 3.95Å; F708-I738 HydrophobicContact CZ-CB 4.39Å; F708-I738 HydrophobicContact CZ-CD1 3.69Å; F708-I738 HydrophobicContact CZ-CG1 3.67Å; F708-I738 VanDerWaalsContact O-CD1 3.24Å; F708-I738 WeakPolarHBondContact O-CD1 3.11Å |
| 709 | L | 84.2 | Confident | 82.2 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.1 | -32.7 | 180 | -71.5 | 178.3 | 0 | 0 | 0 | 112.9 | V650 K705 R706 E711 A712 S713 T731 V736 | V650-L709 HydrophobicContact CG2-CB 3.92Å; V650-L709 HydrophobicContact CG2-CD2 4.46Å; V650-L709 WeakPolarHBondContact CG2-O 3.47Å; K705-L709 HydrophobicContact CG-CD1 4.21Å; K705-L709 WeakPolarHBondContact O-CB 3.29Å; K705-L709 WeakPolarHBondContact O-CG 3.22Å; K705-L709 PolarHBondContact O-N 3.4Å; R706-L709 PolarHBondContact O-N 3.34Å; L709-E711 VanDerWaalsContact C-N 3.3Å; L709-E711 PolarHBondContact O-N 3.43Å; L709-A712 WeakPolarHBondContact O-CB 3.44Å; L709-A712 PolarHBondContact O-N 2.77Å; L709-A712 VanDerWaalsContact O-N 3.1Å; L709-S713 PolarHBondContact O-N 3.05Å; L709-T731 HydrophobicContact CD2-CG2 3.87Å; L709-V736 HydrophobicContact CD2-CG1 4.18Å |
| 710 | A | 79.9 | Confident | 83.2 | Confident | 5 Ų | 5 | 41 Ų | 41 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.9 | -36.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R706 F708 A712 S713 I714 | R706-A710 WeakPolarHBondContact O-CB 3.27Å; R706-A710 PolarHBondContact O-N 3.33Å; F708-A710 VanDerWaalsContact C-N 3.34Å; F708-A710 PolarHBondContact O-N 2.84Å; A710-A712 VanDerWaalsContact C-N 3.29Å; A710-A712 PolarHBondContact O-N 2.88Å; A710-S713 WeakPolarHBondContact CA-OG 3.39Å; A710-S713 PolarHBondContact O-N 2.76Å; A710-S713 PolarHBondContact O-OG 3.17Å; A710-I714 VanDerWaalsContact O-CG1 3.31Å; A710-I714 WeakPolarHBondContact O-CG1 3.41Å; A710-I714 PolarHBondContact O-N 2.75Å; A710-I714 VanDerWaalsContact O-N 3.09Å |
| 711 | E | 82.2 | Confident | 84.1 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 174.3 | -169 | -173.9 | 151 | 0 | 0 | 111.3 | K694 F708 L709 M715 | K694-E711 IonicContact NZ-OE1 2.8Å; K694-E711 PolarHBondContact NZ-OE1 3.37Å; K694-E711 IonicContact NZ-OE2 2.99Å; K694-E711 PolarHBondContact NZ-OE2 3.48Å; F708-E711 WeakPolarHBondContact O-CB 3.3Å; F708-E711 PolarHBondContact O-N 3.46Å; L709-E711 VanDerWaalsContact C-N 3.3Å; L709-E711 PolarHBondContact O-N 3.43Å; E711-M715 HydrophobicContact CG-SD 4.1Å; E711-M715 VanDerWaalsContact O-CG 3.31Å; E711-M715 WeakPolarHBondContact O-CG 3.39Å; E711-M715 PolarHBondContact O-N 3.2Å; E711-M715 VanDerWaalsContact O-N 3.14Å |
| 712 | A | 86.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.8 | -41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V650 L709 A710 I714 M715 A716 V729 I738 | V650-A712 HydrophobicContact CG2-CB 4.48Å; L709-A712 WeakPolarHBondContact O-CB 3.44Å; L709-A712 PolarHBondContact O-N 2.77Å; L709-A712 VanDerWaalsContact O-N 3.1Å; A710-A712 VanDerWaalsContact C-N 3.29Å; A710-A712 PolarHBondContact O-N 2.88Å; A712-I714 VanDerWaalsContact C-N 3.3Å; A712-I714 PolarHBondContact O-N 2.91Å; A712-M715 PolarHBondContact O-N 3.49Å; A712-A716 VanDerWaalsContact O-CB 3.27Å; A712-A716 WeakPolarHBondContact O-CB 3.43Å; A712-A716 PolarHBondContact O-N 3.07Å; A712-V729 HydrophobicContact CB-CG1 3.67Å; A712-I738 HydrophobicContact CB-CD1 4.07Å; A712-I738 HydrophobicContact CB-CG1 4.04Å; A712-I738 HydrophobicContact CB-CG2 4.19Å |
| 713 | S | 84 | Confident | 85.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.8 | -26.6 | 178.7 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | P640 L709 A710 Q717 | P640-S713 VanDerWaalsContact CB-OG 3.26Å; P640-S713 WeakPolarHBondContact CB-OG 3.16Å; P640-S713 WeakPolarHBondContact CG-OG 3.42Å; L709-S713 PolarHBondContact O-N 3.05Å; A710-S713 WeakPolarHBondContact CA-OG 3.39Å; A710-S713 PolarHBondContact O-N 2.76Å; A710-S713 PolarHBondContact O-OG 3.17Å; S713-Q717 PolarHBondContact O-NE2 2.02Å |
| 714 | I | 85.4 | Confident | 86.8 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.7 | -54.5 | 168.8 | -66 | 169.1 | 0 | 0 | 0 | 109.8 | Y637 P640 A710 A712 A716 Q717 F718 Y783 F806 S809 | Y637-I714 HydrophobicContact CE2-CG1 4.4Å; Y637-I714 HydrophobicContact CE2-CG2 4.17Å; P640-I714 HydrophobicContact CG-CG1 3.91Å; A710-I714 VanDerWaalsContact O-CG1 3.31Å; A710-I714 WeakPolarHBondContact O-CG1 3.41Å; A710-I714 PolarHBondContact O-N 2.75Å; A710-I714 VanDerWaalsContact O-N 3.09Å; A712-I714 VanDerWaalsContact C-N 3.3Å; A712-I714 PolarHBondContact O-N 2.91Å; I714-A716 PolarHBondContact O-N 3.14Å; I714-Q717 PolarHBondContact O-N 3.1Å; I714-Q717 VanDerWaalsContact O-N 3.17Å; I714-F718 HydrophobicContact CG2-CE2 3.56Å; I714-F718 HydrophobicContact CG2-CZ 3.76Å; I714-Y783 HydrophobicContact CG2-CE2 3.75Å; I714-F806 HydrophobicContact CB-CB 4.49Å; I714-F806 HydrophobicContact CG2-CB 3.87Å; I714-F806 HydrophobicContact CG2-CD1 4.44Å; I714-F806 HydrophobicContact CG2-CG 4.08Å; I714-S809 WeakPolarHBondContact CD1-OG 3.44Å |
| 715 | M | 87.6 | Confident | 87.5 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.025 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -30.8 | -178 | -72.4 | 164.7 | 48.5 | 0 | 0 | 113.8 | E711 A712 Q717 F718 I724 L726 I738 T740 F806 | E711-M715 HydrophobicContact CG-SD 4.1Å; E711-M715 VanDerWaalsContact O-CG 3.31Å; E711-M715 WeakPolarHBondContact O-CG 3.39Å; E711-M715 PolarHBondContact O-N 3.2Å; E711-M715 VanDerWaalsContact O-N 3.14Å; A712-M715 PolarHBondContact O-N 3.49Å; M715-Q717 PolarHBondContact O-N 2.73Å; M715-F718 PolarHBondContact O-N 2.89Å; M715-I724 HydrophobicContact CE-CG2 4.4Å; M715-L726 HydrophobicContact CB-CB 4.15Å; M715-L726 HydrophobicContact CE-CB 4.36Å; M715-L726 HydrophobicContact CE-CD1 3.95Å; M715-I738 HydrophobicContact CE-CG2 4.43Å; M715-T740 HydrophobicContact CE-CG2 3.35Å; M715-F806 HydrophobicContact CG-CD2 3.33Å; M715-F806 HydrophobicContact CG-CE2 3.69Å; M715-F806 HydrophobicContact CG-CG 4.41Å; M715-F806 HydrophobicContact SD-CD2 4.08Å |
| 716 | A | 87.3 | Confident | 88.1 | Confident | 28 Ų | 28 | 29.7 Ų | 29.7 | 23% | 0.231 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | F653 A654 A712 I714 F718 L726 | F653-A716 HydrophobicContact CB-CB 3.61Å; A654-A716 HydrophobicContact CB-CB 3.97Å; A712-A716 VanDerWaalsContact O-CB 3.27Å; A712-A716 WeakPolarHBondContact O-CB 3.43Å; A712-A716 PolarHBondContact O-N 3.07Å; I714-A716 PolarHBondContact O-N 3.14Å; A716-F718 VanDerWaalsContact C-N 3.35Å; A716-L726 HydrophobicContact CB-CD2 3.67Å |
| 717 | Q | 88.1 | Confident | 88.8 | Confident | 39 Ų | 39 | 25.1 Ų | 25.1 | 18% | 0.182 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -9.3 | 179.2 | -63.3 | 177.3 | 58 | 0 | 0 | 113.3 | I638 F653 S713 I714 M715 | I638-Q717 PolarHBondContact O-NE2 2.95Å; I638-Q717 PolarHBondContact O-OE1 3.46Å; F653-Q717 HydrophobicContact CD1-CG 4.21Å; F653-Q717 HydrophobicContact CD2-CG 4.44Å; F653-Q717 HydrophobicContact CG-CG 4.14Å; S713-Q717 PolarHBondContact O-NE2 2.02Å; I714-Q717 PolarHBondContact O-N 3.1Å; I714-Q717 VanDerWaalsContact O-N 3.17Å; M715-Q717 PolarHBondContact O-N 2.73Å |
| 718 | F | 90.8 | Very high | 89.4 | Confident | 9 Ų | 9 | 23.6 Ų | 23.6 | 4% | 0.039 | 13% | 0.125 | C | C | . | . | trans | -106.3 | 127.9 | -172.2 | -55.4 | -31 | 0 | 0 | 0 | 112.7 | Y637 I714 M715 A716 V723 Y777 L778 L781 Y783 F806 | Y637-F718 AromaticContact CD2-CE1 3.94Å; Y637-F718 HydrophobicContact CD2-CE1 3.94Å; Y637-F718 HydrophobicContact CD2-CZ 4.08Å; Y637-F718 HydrophobicContact CE2-CZ 4.29Å; I714-F718 HydrophobicContact CG2-CE2 3.56Å; I714-F718 HydrophobicContact CG2-CZ 3.76Å; M715-F718 PolarHBondContact O-N 2.89Å; A716-F718 VanDerWaalsContact C-N 3.35Å; F718-V723 HydrophobicContact CB-CG1 3.94Å; F718-V723 HydrophobicContact CD2-CG1 4.08Å; F718-V723 HydrophobicContact CG-CG1 4.36Å; F718-Y777 HydrophobicContact CB-CE1 4.11Å; F718-Y777 HydrophobicContact CD1-CE1 4.31Å; F718-Y777 HydrophobicContact CG-CE1 4.48Å; F718-L778 HydrophobicContact CD1-CD2 3.87Å; F718-L778 HydrophobicContact CD2-CD2 3.77Å; F718-L778 HydrophobicContact CE1-CD2 3.73Å; F718-L778 HydrophobicContact CE2-CD2 3.62Å; F718-L778 HydrophobicContact CG-CD2 3.91Å; F718-L778 HydrophobicContact CZ-CD2 3.61Å; F718-L781 HydrophobicContact CD1-CD1 3.74Å; F718-L781 HydrophobicContact CE1-CD1 3.97Å; F718-Y783 HydrophobicContact CE1-CD2 4.48Å; F718-Y783 HydrophobicContact CE1-CG 4.36Å; F718-Y783 HydrophobicContact CE2-CD1 4.5Å; F718-Y783 HydrophobicContact CZ-CD1 4.02Å; F718-Y783 AromaticContact CZ-CD2 3.71Å; F718-Y783 HydrophobicContact CZ-CD2 3.71Å; F718-Y783 HydrophobicContact CZ-CE1 4.34Å; F718-Y783 HydrophobicContact CZ-CE2 4.05Å; F718-Y783 AromaticContact CZ-CG 3.69Å; F718-Y783 HydrophobicContact CZ-CG 3.69Å; F718-F806 HydrophobicContact CD2-CE1 4.29Å; F718-F806 HydrophobicContact CD2-CE2 4.22Å; F718-F806 AromaticContact CD2-CZ 3.96Å; F718-F806 HydrophobicContact CD2-CZ 3.96Å; F718-F806 HydrophobicContact CE2-CD1 4.07Å; F718-F806 AromaticContact CE2-CE1 3.81Å; F718-F806 HydrophobicContact CE2-CE1 3.81Å; F718-F806 HydrophobicContact CE2-CE2 4.31Å; F718-F806 HydrophobicContact CE2-CG 4.43Å; F718-F806 AromaticContact CE2-CZ 3.94Å; F718-F806 HydrophobicContact CE2-CZ 3.94Å | ||
| 719 | D | 91.1 | Very high | 89.9 | Confident | 122 Ų | 122 | 23.7 Ų | 23.7 | 65% | 0.652 | 13% | 0.126 | S | C | * | . | trans | -135.5 | 96.2 | 171.2 | -172.3 | 21.4 | 0 | 0 | 0 | 110.2 | Y777 | D719-Y777 PolarHBondContact N-OH 3.47Å; D719-Y777 PolarHBondContact O-OH 3.31Å | ||
| 720 | H | 95.3 | Very high | 90.2 | Very high | 42 Ų | 42 | 23.5 Ų | 23.5 | 19% | 0.194 | 13% | 0.125 | C | C | . | . | trans | -152.7 | 139.6 | 178.4 | -176.5 | -96.8 | 0 | 0 | 0 | 110.7 | N722 V723 A773 Y777 | H720-N722 PolarHBondContact ND1-N 2.82Å; H720-N722 VanDerWaalsContact ND1-N 3.17Å; H720-N722 PolarHBondContact O-N 3.33Å; H720-V723 HydrophobicContact CB-CB 4.2Å; H720-V723 HydrophobicContact CB-CG2 4Å; H720-V723 PolarHBondContact O-N 3.12Å; H720-V723 VanDerWaalsContact O-O 3.12Å; H720-A773 PolarHBondContact CE1-O 2.91Å; H720-Y777 HydrophobicContact CB-CD1 3.57Å; H720-Y777 HydrophobicContact CB-CD2 3.99Å; H720-Y777 HydrophobicContact CB-CE1 3.78Å; H720-Y777 HydrophobicContact CB-CE2 4.18Å; H720-Y777 HydrophobicContact CB-CG 3.67Å; H720-Y777 AromaticContact CD2-CD2 3.93Å; H720-Y777 AromaticContact CD2-CG 3.87Å; H720-Y777 AromaticContact CG-CG 3.75Å | ||
| 721 | P | 95.3 | Very high | 90.6 | Very high | 86 Ų | 86 | 25.5 Ų | 25.5 | 56% | 0.558 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.2 | -176.7 | 21.2 | -35.3 | 0 | 0 | 0 | 115.1 | K802 | P721-K802 WeakPolarHBondContact O-CE 3.3Å; P721-K802 PolarHBondContact O-NZ 2.9Å |
| 722 | N | 97.7 | Very high | 90.8 | Very high | 16 Ų | 16 | 32 Ų | 32 | 9% | 0.086 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 19.6 | 176.3 | -59.5 | 107.6 | 0 | 0 | 0 | 114.3 | H720 G770 C801 K802 V803 | H720-N722 PolarHBondContact ND1-N 2.82Å; H720-N722 VanDerWaalsContact ND1-N 3.17Å; H720-N722 PolarHBondContact O-N 3.33Å; N722-G770 WeakPolarHBondContact CB-O 3.45Å; N722-G770 WeakPolarHBondContact ND2-CA 3.28Å; N722-C801 PolarHBondContact ND2-O 3.27Å; N722-K802 WeakPolarHBondContact O-CA 3.49Å; N722-V803 PolarHBondContact O-N 2.78Å |
| 723 | V | 96.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -120.6 | 144.6 | 168.6 | 179 | 0 | 0 | 0 | 0 | 107.9 | F718 H720 R725 Y777 L778 K802 F806 | F718-V723 HydrophobicContact CB-CG1 3.94Å; F718-V723 HydrophobicContact CD2-CG1 4.08Å; F718-V723 HydrophobicContact CG-CG1 4.36Å; H720-V723 HydrophobicContact CB-CB 4.2Å; H720-V723 HydrophobicContact CB-CG2 4Å; H720-V723 PolarHBondContact O-N 3.12Å; H720-V723 VanDerWaalsContact O-O 3.12Å; V723-R725 PolarHBondContact O-N 2.63Å; V723-Y777 HydrophobicContact CG2-CD1 4.05Å; V723-L778 HydrophobicContact CG2-CD1 4.37Å; V723-L778 HydrophobicContact CG2-CD2 4.41Å; V723-L778 HydrophobicContact CG2-CG 4.18Å; V723-K802 PolarHBondContact O-NZ 3.32Å; V723-F806 HydrophobicContact CG1-CE2 4.47Å; V723-F806 HydrophobicContact CG1-CZ 3.9Å |
| 724 | I | 94.9 | Very high | 90.4 | Very high | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -68 | 124.6 | 179.2 | -166.5 | 68.6 | 0 | 0 | 0 | 109.9 | M715 T740 E741 M743 L794 K802 V803 F806 | M715-I724 HydrophobicContact CE-CG2 4.4Å; I724-T740 HydrophobicContact CG1-CG2 4.5Å; I724-E741 HydrophobicContact CD1-CG 3.55Å; I724-E741 HydrophobicContact CG1-CG 4.5Å; I724-M743 HydrophobicContact CD1-CG 3.64Å; I724-M743 HydrophobicContact CD1-SD 4.06Å; I724-L794 HydrophobicContact CD1-CD1 4Å; I724-L794 HydrophobicContact CG1-CD1 4.36Å; I724-K802 HydrophobicContact CD1-CD 4.3Å; I724-V803 WeakPolarHBondContact CG2-O 3.36Å; I724-V803 PolarHBondContact N-O 3.08Å; I724-F806 HydrophobicContact CG2-CE2 3.84Å |
| 725 | R | 93 | Very high | 90.3 | Very high | 83 Ų | 83 | 45.3 Ų | 45.3 | 31% | 0.313 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -92 | 129.4 | -174.6 | -171.3 | 174.7 | 53.5 | 75.3 | 11.5 | 111.1 | V723 E727 T740 E741 | V723-R725 PolarHBondContact O-N 2.63Å; R725-E727 IonicContact CZ-OE1 2.72Å; R725-E727 IonicContact NH1-OE1 2.93Å; R725-E727 PolarHBondContact NH1-OE1 2.99Å; R725-E727 IonicContact NH1-OE2 3.44Å; R725-E727 PolarHBondContact NH1-OE2 3.32Å; R725-E727 VanDerWaalsContact NH1-OE2 3.11Å; R725-E727 IonicContact NH2-OE1 3.25Å; R725-E727 PolarHBondContact NH2-OE1 2.68Å; R725-T740 WeakPolarHBondContact O-CA 3.39Å; R725-E741 VanDerWaalsContact CB-OE1 3.25Å; R725-E741 WeakPolarHBondContact CB-OE1 3.33Å; R725-E741 PolarHBondContact N-OE1 2.59Å; R725-E741 PolarHBondContact O-N 3.4Å |
| 726 | L | 93.3 | Very high | 90.4 | Very high | 22 Ų | 22 | 45.4 Ų | 45.4 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 126.5 | 167.6 | -171.5 | 72.5 | 0 | 0 | 0 | 109.6 | A654 M715 A716 I738 I739 | A654-L726 HydrophobicContact CB-CD2 3.76Å; M715-L726 HydrophobicContact CB-CB 4.15Å; M715-L726 HydrophobicContact CE-CB 4.36Å; M715-L726 HydrophobicContact CE-CD1 3.95Å; A716-L726 HydrophobicContact CB-CD2 3.67Å; L726-I738 HydrophobicContact CD1-CG2 3.56Å; L726-I739 WeakPolarHBondContact CD1-O 3.36Å |
| 727 | E | 92.1 | Very high | 90.5 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -31.3 | 167.1 | -71.9 | -70.3 | 179.8 | 0 | 0 | 111.1 | R655 M681 V691 R725 I739 | R655-E727 PolarHBondContact NE-O 3.33Å; R655-E727 PolarHBondContact NH2-O 3.02Å; R655-E727 IonicContact NH2-OE2 3.86Å; R655-E727 PolarHBondContact NH2-OE2 3.12Å; R655-E727 VanDerWaalsContact NH2-OE2 3.07Å; M681-E727 HydrophobicContact CE-CB 3.87Å; M681-E727 HydrophobicContact CE-CG 3.82Å; M681-E727 HydrophobicContact SD-CB 4.22Å; V691-E727 HydrophobicContact CG1-CG 4.17Å; R725-E727 IonicContact CZ-OE1 2.72Å; R725-E727 IonicContact NH1-OE1 2.93Å; R725-E727 PolarHBondContact NH1-OE1 2.99Å; R725-E727 IonicContact NH1-OE2 3.44Å; R725-E727 PolarHBondContact NH1-OE2 3.32Å; R725-E727 VanDerWaalsContact NH1-OE2 3.11Å; R725-E727 IonicContact NH2-OE1 3.25Å; R725-E727 PolarHBondContact NH2-OE1 2.68Å; E727-I739 HydrophobicContact CB-CB 4.28Å; E727-I739 HydrophobicContact CB-CG2 3.8Å; E727-I739 HydrophobicContact CG-CG2 4.49Å; E727-I739 PolarHBondContact N-O 2.91Å |
| 728 | G | 91 | Very high | 90.6 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.3 | -165.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | R655 I739 | R655-G728 CarbonylContact O-C 3.54Å; R655-G728 WeakPolarHBondContact O-CA 3.45Å; G728-I739 PolarHBondContact N-O 3.13Å; G728-I739 WeakPolarHBondContact O-CB 3.4Å; G728-I739 PolarHBondContact O-N 2.9Å |
| 729 | V | 92.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 160.1 | -178.2 | -68.3 | 0 | 0 | 0 | 0 | 110.7 | V650 A654 R655 E656 I657 A712 T731 M737 | V650-V729 HydrophobicContact CG1-CB 4.45Å; V650-V729 HydrophobicContact CG1-CG1 4.22Å; V650-V729 HydrophobicContact CG1-CG2 3.75Å; A654-V729 HydrophobicContact CB-CG1 4.21Å; A654-V729 HydrophobicContact CB-CG2 4.04Å; R655-V729 PolarHBondContact O-N 3.4Å; E656-V729 CarbonylContact C-O 3.42Å; E656-V729 WeakPolarHBondContact CA-O 3.05Å; I657-V729 PolarHBondContact N-O 2.9Å; A712-V729 HydrophobicContact CB-CG1 3.67Å; V729-T731 HydrophobicContact CB-CG2 4.07Å; V729-T731 HydrophobicContact CG2-CG2 3.94Å; V729-M737 CarbonylContact C-O 3.58Å; V729-M737 WeakPolarHBondContact CA-O 3.34Å |
| 730 | V | 90.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 107.3 | 165.7 | -172.3 | 0 | 0 | 0 | 0 | 106.7 | I657 A659 S733 V736 M737 I739 | I657-V730 HydrophobicContact CB-CG2 4.44Å; I657-V730 WeakPolarHBondContact O-CG2 3.37Å; A659-V730 HydrophobicContact CB-CG1 4.06Å; V730-S733 VanDerWaalsContact CG1-OG 3.24Å; V730-S733 WeakPolarHBondContact CG1-OG 3.43Å; V730-V736 CarbonylContact O-C 3.6Å; V730-V736 VanDerWaalsContact O-CA 3.3Å; V730-V736 WeakPolarHBondContact O-CA 3.46Å; V730-V736 WeakPolarHBondContact O-CG1 3.48Å; V730-M737 HydrophobicContact CB-CB 4.03Å; V730-M737 HydrophobicContact CB-CE 4Å; V730-M737 HydrophobicContact CG1-CE 4.02Å; V730-M737 HydrophobicContact CG2-CB 4.1Å; V730-M737 HydrophobicContact CG2-CE 3.95Å; V730-M737 PolarHBondContact N-O 2.86Å; V730-M737 PolarHBondContact O-N 3.25Å; V730-I739 HydrophobicContact CG2-CD1 3.69Å |
| 731 | T | 88.4 | Confident | 90.8 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 29% | 0.288 | 19% | 0.19 | S | C | . | . | trans | -116.6 | -27.6 | -176.6 | 65.8 | 0 | 0 | 0 | 0 | 112.3 | V650 E656 L709 V729 S733 | V650-T731 HydrophobicContact CG1-CG2 4.37Å; E656-T731 VanDerWaalsContact CD-N 3.35Å; E656-T731 VanDerWaalsContact CD-OG1 3.28Å; E656-T731 PolarHBondContact OE1-N 2.97Å; E656-T731 PolarHBondContact OE1-OG1 3.29Å; E656-T731 WeakPolarHBondContact OE2-CB 3.46Å; E656-T731 PolarHBondContact OE2-N 3.44Å; E656-T731 PolarHBondContact OE2-OG1 3.41Å; L709-T731 HydrophobicContact CD2-CG2 3.87Å; V729-T731 HydrophobicContact CB-CG2 4.07Å; V729-T731 HydrophobicContact CG2-CG2 3.94Å; T731-S733 VanDerWaalsContact C-N 3.26Å; T731-S733 PolarHBondContact O-N 2.87Å | ||
| 732 | H | 85.1 | Confident | 90.7 | Very high | 149 Ų | 149 | 35.8 Ų | 35.8 | 69% | 0.69 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -78.7 | -0.5 | -178.7 | -64 | 167.4 | 0 | 0 | 0 | 114.8 | E656 | E656-H732 IonicContact OE1-CG 2.7Å; E656-H732 PolarHBondContact OE1-N 2.7Å; E656-H732 IonicContact OE1-ND1 3.72Å |
| 733 | S | 81.9 | Confident | 90.6 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 29% | 0.287 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -141.2 | 166.2 | 178.8 | 76.8 | 0 | 0 | 0 | 0 | 111.8 | A659 V730 T731 P735 | A659-S733 WeakPolarHBondContact CB-OG 3.43Å; V730-S733 VanDerWaalsContact CG1-OG 3.24Å; V730-S733 WeakPolarHBondContact CG1-OG 3.43Å; T731-S733 VanDerWaalsContact C-N 3.26Å; T731-S733 PolarHBondContact O-N 2.87Å; S733-P735 CarbonylContact O-C 3.53Å |
| 734 | K | 79.8 | Confident | 90.4 | Very high | 180 Ų | 180 | 39.5 Ų | 39.5 | 78% | 0.783 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -107.7 | 135.9 | 175.7 | -68.5 | -175.8 | 178.5 | -179.6 | 0 | 110 | ||
| 735 | P | 85.1 | Confident | 90.4 | Very high | 59 Ų | 59 | 41.1 Ų | 41.1 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | S | Bend | cis | -71.6 | 153.3 | -1.7 | 31.7 | -35.9 | 0 | 0 | 0 | 112.8 | S733 M737 | S733-P735 CarbonylContact O-C 3.53Å; P735-M737 HydrophobicContact CG-CE 4.42Å; P735-M737 HydrophobicContact CG-CG 4.4Å; P735-M737 HydrophobicContact CG-SD 4.48Å |
| 736 | V | 88.2 | Confident | 90.3 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | trans | -72.3 | 136.6 | 170.6 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | L696 F708 L709 V730 | L696-V736 HydrophobicContact CB-CB 4.19Å; L696-V736 HydrophobicContact CD2-CB 4.33Å; L696-V736 PolarHBondContact N-O 3.15Å; F708-V736 HydrophobicContact CD1-CG1 4.29Å; F708-V736 HydrophobicContact CE1-CB 4.46Å; F708-V736 HydrophobicContact CE1-CG1 3.96Å; L709-V736 HydrophobicContact CD2-CG1 4.18Å; V730-V736 CarbonylContact O-C 3.6Å; V730-V736 VanDerWaalsContact O-CA 3.3Å; V730-V736 WeakPolarHBondContact O-CA 3.46Å; V730-V736 WeakPolarHBondContact O-CG1 3.48Å | ||
| 737 | M | 90.4 | Very high | 90.4 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.8 | -172.5 | -61.4 | 178.9 | -94.4 | 0 | 0 | 113.4 | I664 K694 T695 V729 V730 P735 | I664-M737 HydrophobicContact CD1-SD 4.47Å; K694-M737 CarbonylContact O-C 3.43Å; K694-M737 VanDerWaalsContact O-CA 3.26Å; K694-M737 WeakPolarHBondContact O-CA 3.47Å; T695-M737 HydrophobicContact CG2-CG 4.17Å; V729-M737 CarbonylContact C-O 3.58Å; V729-M737 WeakPolarHBondContact CA-O 3.34Å; V730-M737 HydrophobicContact CB-CB 4.03Å; V730-M737 HydrophobicContact CB-CE 4Å; V730-M737 HydrophobicContact CG1-CE 4.02Å; V730-M737 HydrophobicContact CG2-CB 4.1Å; V730-M737 HydrophobicContact CG2-CE 3.95Å; V730-M737 PolarHBondContact N-O 2.86Å; V730-M737 PolarHBondContact O-N 3.25Å; P735-M737 HydrophobicContact CG-CE 4.42Å; P735-M737 HydrophobicContact CG-CG 4.4Å; P735-M737 HydrophobicContact CG-SD 4.48Å |
| 738 | I | 90.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.3 | 166.5 | -58.4 | 169.3 | 0 | 0 | 0 | 107 | L693 K694 F708 A712 M715 L726 | L693-I738 WeakPolarHBondContact CA-O 3.3Å; K694-I738 HydrophobicContact CB-CB 4.1Å; K694-I738 PolarHBondContact N-O 3.04Å; K694-I738 PolarHBondContact O-N 3.19Å; F708-I738 HydrophobicContact CD1-CD1 3.88Å; F708-I738 HydrophobicContact CD1-CG1 4.17Å; F708-I738 HydrophobicContact CD2-CD1 3.85Å; F708-I738 HydrophobicContact CE1-CD1 3.74Å; F708-I738 HydrophobicContact CE1-CG1 3.62Å; F708-I738 HydrophobicContact CE2-CD1 3.74Å; F708-I738 HydrophobicContact CE2-CG1 4.23Å; F708-I738 HydrophobicContact CG-CD1 3.95Å; F708-I738 HydrophobicContact CZ-CB 4.39Å; F708-I738 HydrophobicContact CZ-CD1 3.69Å; F708-I738 HydrophobicContact CZ-CG1 3.67Å; F708-I738 VanDerWaalsContact O-CD1 3.24Å; F708-I738 WeakPolarHBondContact O-CD1 3.11Å; A712-I738 HydrophobicContact CB-CD1 4.07Å; A712-I738 HydrophobicContact CB-CG1 4.04Å; A712-I738 HydrophobicContact CB-CG2 4.19Å; M715-I738 HydrophobicContact CE-CG2 4.43Å; L726-I738 HydrophobicContact CD1-CG2 3.56Å |
| 739 | I | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 116.5 | -170.9 | -51.3 | 172.1 | 0 | 0 | 0 | 107.9 | I657 I662 M681 V691 A692 L693 L726 E727 G728 V730 | I657-I739 HydrophobicContact CB-CD1 4.08Å; I657-I739 HydrophobicContact CD1-CD1 3.56Å; I657-I739 HydrophobicContact CG1-CD1 4.4Å; I657-I739 HydrophobicContact CG2-CD1 4.26Å; I662-I739 HydrophobicContact CD1-CD1 3.63Å; I662-I739 HydrophobicContact CG1-CD1 3.94Å; M681-I739 HydrophobicContact SD-CG2 4.44Å; V691-I739 HydrophobicContact CB-CG2 3.79Å; V691-I739 HydrophobicContact CG1-CG2 3.85Å; V691-I739 HydrophobicContact CG2-CG2 4.1Å; A692-I739 WeakPolarHBondContact O-CA 3.45Å; L693-I739 HydrophobicContact CD2-CB 4.18Å; L693-I739 HydrophobicContact CD2-CD1 4.39Å; L693-I739 HydrophobicContact CD2-CG1 3.71Å; L693-I739 HydrophobicContact CD2-CG2 3.83Å; L726-I739 WeakPolarHBondContact CD1-O 3.36Å; E727-I739 HydrophobicContact CB-CB 4.28Å; E727-I739 HydrophobicContact CB-CG2 3.8Å; E727-I739 HydrophobicContact CG-CG2 4.49Å; E727-I739 PolarHBondContact N-O 2.91Å; G728-I739 PolarHBondContact N-O 3.13Å; G728-I739 WeakPolarHBondContact O-CB 3.4Å; G728-I739 PolarHBondContact O-N 2.9Å; V730-I739 HydrophobicContact CG2-CD1 3.69Å |
| 740 | T | 93.8 | Very high | 90.8 | Very high | 22 Ų | 22 | 40.6 Ų | 40.6 | 14% | 0.135 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 166.7 | 174.5 | 69.8 | 0 | 0 | 0 | 0 | 111 | V691 A692 M715 I724 R725 | V691-T740 WeakPolarHBondContact CA-O 3.28Å; V691-T740 WeakPolarHBondContact CB-O 3.32Å; A692-T740 WeakPolarHBondContact CB-OG1 3.44Å; A692-T740 PolarHBondContact N-O 2.89Å; A692-T740 PolarHBondContact O-N 3.49Å; M715-T740 HydrophobicContact CE-CG2 3.35Å; I724-T740 HydrophobicContact CG1-CG2 4.5Å; R725-T740 WeakPolarHBondContact O-CA 3.39Å |
| 741 | E | 93.4 | Very high | 90.9 | Very high | 28 Ų | 28 | 40.8 Ų | 40.8 | 13% | 0.131 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 146.7 | 160.7 | 69.9 | -166.8 | 133.2 | 0 | 0 | 111 | I724 R725 M743 K802 | I724-E741 HydrophobicContact CD1-CG 3.55Å; I724-E741 HydrophobicContact CG1-CG 4.5Å; R725-E741 VanDerWaalsContact CB-OE1 3.25Å; R725-E741 WeakPolarHBondContact CB-OE1 3.33Å; R725-E741 PolarHBondContact N-OE1 2.59Å; R725-E741 PolarHBondContact O-N 3.4Å; E741-M743 HydrophobicContact CG-SD 4.22Å; E741-K802 VanDerWaalsContact OE1-CD 3.26Å; E741-K802 WeakPolarHBondContact OE1-CD 3.34Å; E741-K802 VanDerWaalsContact OE1-CE 3.32Å; E741-K802 WeakPolarHBondContact OE1-CE 3.48Å; E741-K802 IonicContact OE1-NZ 3.41Å; E741-K802 PolarHBondContact OE1-NZ 3.08Å; E741-K802 WeakPolarHBondContact OE2-CE 3.48Å; E741-K802 IonicContact OE2-NZ 2.87Å; E741-K802 PolarHBondContact OE2-NZ 3.09Å |
| 742 | Y | 94.1 | Very high | 91.2 | Very high | 63 Ų | 63 | 38.6 Ų | 38.6 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | trans | -85.6 | 137.3 | 176.7 | 179.9 | -117.7 | 0 | 0 | 0 | 111.3 | I668 Y678 P690 A692 E744 | I668-Y742 HydrophobicContact CD1-CD2 4.17Å; I668-Y742 HydrophobicContact CD1-CE2 3.73Å; Y678-Y742 AromaticContact CD2-CD1 3.77Å; Y678-Y742 HydrophobicContact CD2-CD1 3.77Å; Y678-Y742 AromaticContact CD2-CD2 3.68Å; Y678-Y742 HydrophobicContact CD2-CD2 3.68Å; Y678-Y742 AromaticContact CD2-CE1 3.77Å; Y678-Y742 HydrophobicContact CD2-CE1 3.77Å; Y678-Y742 AromaticContact CD2-CE2 3.69Å; Y678-Y742 HydrophobicContact CD2-CE2 3.69Å; Y678-Y742 AromaticContact CD2-CG 3.72Å; Y678-Y742 HydrophobicContact CD2-CG 3.72Å; Y678-Y742 AromaticContact CD2-CZ 3.73Å; Y678-Y742 AromaticContact CE2-CD1 3.67Å; Y678-Y742 HydrophobicContact CE2-CD1 3.67Å; Y678-Y742 HydrophobicContact CE2-CD2 4.39Å; Y678-Y742 AromaticContact CE2-CE1 3.81Å; Y678-Y742 HydrophobicContact CE2-CE1 3.81Å; Y678-Y742 AromaticContact CE2-CG 3.97Å; Y678-Y742 HydrophobicContact CE2-CG 3.97Å; Y678-Y742 HydrophobicContact CG-CE2 4.41Å; P690-Y742 HydrophobicContact CB-CD1 4.36Å; A692-Y742 HydrophobicContact CB-CD2 4.41Å; Y742-E744 HydrophobicContact CD1-CG 3.86Å; Y742-E744 HydrophobicContact CE1-CB 4.06Å; Y742-E744 HydrophobicContact CE1-CG 3.67Å | ||
| 743 | M | 94.4 | Very high | 91.4 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 5% | 0.054 | 20% | 0.195 | C | C | . | . | trans | -118.5 | 99.6 | -176.8 | -61.5 | -64.9 | -73.7 | 0 | 0 | 108.9 | I724 E741 N745 G746 L794 V795 N796 K802 | I724-M743 HydrophobicContact CD1-CG 3.64Å; I724-M743 HydrophobicContact CD1-SD 4.06Å; E741-M743 HydrophobicContact CG-SD 4.22Å; M743-N745 VanDerWaalsContact C-N 3.26Å; M743-N745 PolarHBondContact O-N 3.03Å; M743-N745 VanDerWaalsContact O-N 3.17Å; M743-G746 PolarHBondContact O-N 3.32Å; M743-L794 HydrophobicContact CB-CB 3.85Å; M743-L794 HydrophobicContact CB-CD1 4.38Å; M743-L794 HydrophobicContact CE-CB 3.87Å; M743-L794 VanDerWaalsContact CE-O 3.31Å; M743-L794 WeakPolarHBondContact CE-O 3.17Å; M743-L794 HydrophobicContact CG-CB 3.74Å; M743-L794 HydrophobicContact CG-CD1 4.01Å; M743-L794 HydrophobicContact CG-CG 4.48Å; M743-V795 CarbonylContact C-O 3.25Å; M743-N796 HydrophobicContact CE-CB 3.89Å; M743-N796 HydrophobicContact SD-CB 3.96Å; M743-K802 HydrophobicContact CE-CB 3.88Å; M743-K802 HydrophobicContact CE-CD 3.73Å; M743-K802 HydrophobicContact CE-CG 3.68Å; M743-K802 HydrophobicContact SD-CD 3.84Å; M743-K802 HydrophobicContact SD-CG 4.46Å | ||
| 744 | E | 93.1 | Very high | 91.9 | Very high | 85 Ų | 85 | 42.7 Ų | 42.7 | 40% | 0.397 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -25.4 | -161.1 | -52.8 | 95.9 | 134.1 | 0 | 0 | 114.2 | Y742 N796 S797 | Y742-E744 HydrophobicContact CD1-CG 3.86Å; Y742-E744 HydrophobicContact CE1-CB 4.06Å; Y742-E744 HydrophobicContact CE1-CG 3.67Å; E744-N796 WeakPolarHBondContact OE2-CA 3.46Å; E744-N796 VanDerWaalsContact OE2-CB 3.27Å; E744-N796 WeakPolarHBondContact OE2-CB 3.39Å; E744-S797 VanDerWaalsContact CD-OG 3.29Å; E744-S797 WeakPolarHBondContact OE1-CB 3.19Å; E744-S797 PolarHBondContact OE1-OG 3.32Å; E744-S797 PolarHBondContact OE2-N 2.93Å |
| 745 | N | 93.6 | Very high | 92.3 | Very high | 39 Ų | 39 | 36.7 Ų | 36.7 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -9.3 | -177.5 | -77.5 | -43.8 | 0 | 0 | 0 | 113.5 | M743 F751 R754 V795 N796 | M743-N745 VanDerWaalsContact C-N 3.26Å; M743-N745 PolarHBondContact O-N 3.03Å; M743-N745 VanDerWaalsContact O-N 3.17Å; N745-F751 HydrophobicContact CB-CD2 3.54Å; N745-F751 HydrophobicContact CB-CE2 3.76Å; N745-F751 HydrophobicContact CB-CG 4.2Å; N745-F751 WeakPolarHBondContact OD1-CE2 3.39Å; N745-R754 PolarHBondContact O-NH2 2.99Å; N745-V795 HydrophobicContact CB-CB 3.96Å; N745-V795 HydrophobicContact CB-CG1 4.15Å; N745-V795 WeakPolarHBondContact CB-O 3.32Å; N745-V795 PolarHBondContact N-O 3.46Å; N745-N796 PolarHBondContact ND2-O 3.14Å |
| 746 | G | 92.4 | Very high | 92.1 | Very high | 28 Ų | 28 | 39.2 Ų | 39.2 | 29% | 0.289 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 76 | -150.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M743 L794 V795 | M743-G746 PolarHBondContact O-N 3.32Å; G746-L794 WeakPolarHBondContact O-CA 3.4Å; G746-V795 PolarHBondContact O-N 3.15Å |
| 747 | S | 94.4 | Very high | 91.6 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 22% | 0.217 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 145.7 | 178.9 | 65.6 | 0 | 0 | 0 | 0 | 112.5 | D749 A750 F751 R791 I793 | S747-D749 VanDerWaalsContact C-N 3.33Å; S747-D749 VanDerWaalsContact CB-OD1 3.32Å; S747-D749 WeakPolarHBondContact CB-OD1 3.37Å; S747-D749 PolarHBondContact O-N 3.33Å; S747-D749 PolarHBondContact OG-OD1 3.43Å; S747-A750 PolarHBondContact O-N 2.84Å; S747-A750 WeakPolarHBondContact OG-CB 3.26Å; S747-F751 VanDerWaalsContact O-CB 3.26Å; S747-F751 WeakPolarHBondContact O-CB 3.4Å; S747-F751 PolarHBondContact O-N 2.95Å; S747-R791 VanDerWaalsContact CB-O 3.3Å; S747-R791 WeakPolarHBondContact CB-O 3.45Å; S747-I793 CarbonylContact C-O 3.5Å; S747-I793 WeakPolarHBondContact CA-O 3.49Å |
| 748 | L | 96.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -37.9 | -176 | 175.1 | 61.5 | 0 | 0 | 0 | 111.7 | F751 L752 L767 A790 I793 V795 V858 | L748-F751 HydrophobicContact CD1-CD1 4.46Å; L748-F751 PolarHBondContact O-N 3.34Å; L748-L752 HydrophobicContact CD1-CD1 3.83Å; L748-L752 HydrophobicContact CD1-CD2 4.4Å; L748-L752 HydrophobicContact CD1-CG 3.85Å; L748-L752 HydrophobicContact CG-CD1 3.82Å; L748-L752 HydrophobicContact CG-CG 4.32Å; L748-L752 WeakPolarHBondContact O-CB 3.35Å; L748-L752 WeakPolarHBondContact O-CD1 3.47Å; L748-L752 WeakPolarHBondContact O-CG 3.36Å; L748-L752 PolarHBondContact O-N 2.79Å; L748-L767 HydrophobicContact CD1-CD1 4.02Å; L748-A790 WeakPolarHBondContact CB-O 3.41Å; L748-A790 PolarHBondContact N-O 3.13Å; L748-I793 HydrophobicContact CB-CB 3.88Å; L748-I793 HydrophobicContact CB-CG2 4.06Å; L748-I793 WeakPolarHBondContact CB-O 3.36Å; L748-I793 HydrophobicContact CD2-CB 3.97Å; L748-I793 HydrophobicContact CD2-CG1 4.38Å; L748-I793 HydrophobicContact CD2-CG2 3.82Å; L748-I793 PolarHBondContact N-O 3.14Å; L748-V795 HydrophobicContact CB-CG2 3.78Å; L748-V795 HydrophobicContact CD1-CG2 3.72Å; L748-V795 HydrophobicContact CG-CG2 4.32Å; L748-V858 HydrophobicContact CD2-CG2 3.81Å; L748-V858 HydrophobicContact CG-CG2 4.46Å |
| 749 | D | 93.8 | Very high | 91.2 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 178 | 79.4 | -47.7 | 0 | 0 | 0 | 112.6 | S747 R753 A790 R791 | S747-D749 VanDerWaalsContact C-N 3.33Å; S747-D749 VanDerWaalsContact CB-OD1 3.32Å; S747-D749 WeakPolarHBondContact CB-OD1 3.37Å; S747-D749 PolarHBondContact O-N 3.33Å; S747-D749 PolarHBondContact OG-OD1 3.43Å; D749-R753 WeakPolarHBondContact O-CG 3.21Å; D749-R753 PolarHBondContact O-N 3.14Å; D749-R753 VanDerWaalsContact O-N 3.11Å; D749-R753 IonicContact OD2-CZ 3.11Å; D749-R753 VanDerWaalsContact OD2-CZ 3.31Å; D749-R753 IonicContact OD2-NH1 2.73Å; D749-R753 PolarHBondContact OD2-NH1 3.11Å; D749-R753 VanDerWaalsContact OD2-NH1 3.08Å; D749-R753 IonicContact OD2-NH2 2.67Å; D749-R753 PolarHBondContact OD2-NH2 3.08Å; D749-A790 HydrophobicContact CB-CB 3.92Å; D749-A790 PolarHBondContact N-O 3.26Å; D749-R791 WeakPolarHBondContact OD1-CA 3.4Å |
| 750 | A | 92.5 | Very high | 91.1 | Very high | 29 Ų | 29 | 52 Ų | 52 | 24% | 0.24 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -74.3 | -27.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S747 R754 | S747-A750 PolarHBondContact O-N 2.84Å; S747-A750 WeakPolarHBondContact OG-CB 3.26Å; A750-R754 WeakPolarHBondContact O-CG 3.26Å; A750-R754 PolarHBondContact O-N 2.86Å; A750-R754 PolarHBondContact O-NE 3.47Å |
| 751 | F | 95 | Very high | 90.8 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 2% | 0.022 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68 | -48.5 | 171.2 | 179.9 | -111.1 | 0 | 0 | 0 | 111.5 | N745 S747 L748 R754 H755 F759 V795 L799 | N745-F751 HydrophobicContact CB-CD2 3.54Å; N745-F751 HydrophobicContact CB-CE2 3.76Å; N745-F751 HydrophobicContact CB-CG 4.2Å; N745-F751 WeakPolarHBondContact OD1-CE2 3.39Å; S747-F751 VanDerWaalsContact O-CB 3.26Å; S747-F751 WeakPolarHBondContact O-CB 3.4Å; S747-F751 PolarHBondContact O-N 2.95Å; L748-F751 HydrophobicContact CD1-CD1 4.46Å; L748-F751 PolarHBondContact O-N 3.34Å; F751-R754 PolarHBondContact O-N 3.34Å; F751-H755 AromaticContact CD2-CE1 3.57Å; F751-H755 AromaticContact CD2-ND1 3.65Å; F751-H755 AromaticContact CE2-CE1 3.3Å; F751-H755 WeakPolarHBondContact CE2-CE1 3.32Å; F751-H755 AromaticContact CE2-ND1 3.59Å; F751-H755 PolarHBondContact O-N 2.68Å; F751-H755 PolarHBondContact O-ND1 3.43Å; F751-F759 HydrophobicContact CD1-CE2 4.43Å; F751-F759 HydrophobicContact CD1-CZ 4.37Å; F751-F759 HydrophobicContact CE1-CE1 4.37Å; F751-F759 AromaticContact CE1-CE2 3.85Å; F751-F759 HydrophobicContact CE1-CE2 3.85Å; F751-F759 AromaticContact CE1-CZ 3.41Å; F751-F759 HydrophobicContact CE1-CZ 3.41Å; F751-F759 VanDerWaalsContact CE1-CZ 3.41Å; F751-F759 HydrophobicContact CZ-CE1 4.45Å; F751-F759 HydrophobicContact CZ-CE2 4.39Å; F751-F759 AromaticContact CZ-CZ 3.6Å; F751-F759 HydrophobicContact CZ-CZ 3.6Å; F751-V795 HydrophobicContact CD1-CB 4.46Å; F751-V795 HydrophobicContact CD1-CG1 4.16Å; F751-V795 HydrophobicContact CD1-CG2 4.27Å; F751-V795 HydrophobicContact CE1-CG1 4.13Å; F751-L799 HydrophobicContact CE1-CD2 3.82Å; F751-L799 HydrophobicContact CZ-CD2 3.47Å; F751-L799 VanDerWaalsContact CZ-CD2 3.47Å |
| 752 | L | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.9 | -47.9 | 178.6 | -73.2 | 163.9 | 0 | 0 | 0 | 112.4 | L748 R754 H755 D756 F759 L764 L767 V858 Y861 | L748-L752 HydrophobicContact CD1-CD1 3.83Å; L748-L752 HydrophobicContact CD1-CD2 4.4Å; L748-L752 HydrophobicContact CD1-CG 3.85Å; L748-L752 HydrophobicContact CG-CD1 3.82Å; L748-L752 HydrophobicContact CG-CG 4.32Å; L748-L752 WeakPolarHBondContact O-CB 3.35Å; L748-L752 WeakPolarHBondContact O-CD1 3.47Å; L748-L752 WeakPolarHBondContact O-CG 3.36Å; L748-L752 PolarHBondContact O-N 2.79Å; L752-R754 PolarHBondContact O-N 3.32Å; L752-R754 VanDerWaalsContact O-N 3.17Å; L752-H755 CarbonylContact O-C 3.56Å; L752-H755 VanDerWaalsContact O-C 3.25Å; L752-H755 WeakPolarHBondContact O-CA 3.27Å; L752-H755 PolarHBondContact O-N 3.08Å; L752-D756 PolarHBondContact O-N 3.04Å; L752-D756 VanDerWaalsContact O-N 3.15Å; L752-F759 HydrophobicContact CD2-CD2 4.2Å; L752-F759 HydrophobicContact CD2-CE2 4.28Å; L752-L764 HydrophobicContact CD2-CD2 3.94Å; L752-L767 HydrophobicContact CD2-CD1 4.29Å; L752-V858 HydrophobicContact CD1-CB 4.32Å; L752-V858 HydrophobicContact CD1-CG2 4.06Å; L752-Y861 CarbonylContact C-O 3.59Å; L752-Y861 HydrophobicContact CD2-CD1 4.26Å |
| 753 | R | 89.9 | Confident | 90.6 | Very high | 130 Ų | 130 | 55.9 Ų | 55.9 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.9 | -25.9 | 178.6 | -73.1 | -170.3 | -63.8 | -94.6 | -2.4 | 113.7 | D749 H755 Y861 G862 | D749-R753 WeakPolarHBondContact O-CG 3.21Å; D749-R753 PolarHBondContact O-N 3.14Å; D749-R753 VanDerWaalsContact O-N 3.11Å; D749-R753 IonicContact OD2-CZ 3.11Å; D749-R753 VanDerWaalsContact OD2-CZ 3.31Å; D749-R753 IonicContact OD2-NH1 2.73Å; D749-R753 PolarHBondContact OD2-NH1 3.11Å; D749-R753 VanDerWaalsContact OD2-NH1 3.08Å; D749-R753 IonicContact OD2-NH2 2.67Å; D749-R753 PolarHBondContact OD2-NH2 3.08Å; R753-H755 VanDerWaalsContact C-N 3.35Å; R753-Y861 WeakPolarHBondContact CA-O 3.44Å; R753-Y861 WeakPolarHBondContact CG-O 3.34Å; R753-Y861 PolarHBondContact N-O 2.79Å; R753-G862 WeakPolarHBondContact CD-O 3.43Å; R753-G862 PolarHBondContact NH1-O 3.01Å |
| 754 | R | 91.4 | Very high | 90.6 | Very high | 147 Ų | 147 | 55.5 Ų | 55.5 | 56% | 0.555 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -79.2 | -16.9 | 174 | -78.3 | 179.6 | -71.2 | 162.3 | 2.2 | 113.6 | N745 A750 F751 L752 | N745-R754 PolarHBondContact O-NH2 2.99Å; A750-R754 WeakPolarHBondContact O-CG 3.26Å; A750-R754 PolarHBondContact O-N 2.86Å; A750-R754 PolarHBondContact O-NE 3.47Å; F751-R754 PolarHBondContact O-N 3.34Å; L752-R754 PolarHBondContact O-N 3.32Å; L752-R754 VanDerWaalsContact O-N 3.17Å |
| 755 | H | 87.5 | Confident | 90.7 | Very high | 53 Ų | 53 | 51.4 Ų | 51.4 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | 33.9 | -176 | -58.5 | 91.6 | 0 | 0 | 0 | 111.3 | F751 L752 R753 G757 Q758 F759 Y861 | F751-H755 AromaticContact CD2-CE1 3.57Å; F751-H755 AromaticContact CD2-ND1 3.65Å; F751-H755 AromaticContact CE2-CE1 3.3Å; F751-H755 WeakPolarHBondContact CE2-CE1 3.32Å; F751-H755 AromaticContact CE2-ND1 3.59Å; F751-H755 PolarHBondContact O-N 2.68Å; F751-H755 PolarHBondContact O-ND1 3.43Å; L752-H755 CarbonylContact O-C 3.56Å; L752-H755 VanDerWaalsContact O-C 3.25Å; L752-H755 WeakPolarHBondContact O-CA 3.27Å; L752-H755 PolarHBondContact O-N 3.08Å; R753-H755 VanDerWaalsContact C-N 3.35Å; H755-G757 PolarHBondContact O-N 2.91Å; H755-Q758 HydrophobicContact CB-CB 4.25Å; H755-Q758 PolarHBondContact CD2-OE1 3.33Å; H755-Q758 WeakPolarHBondContact O-CB 3.27Å; H755-Q758 PolarHBondContact O-N 2.75Å; H755-F759 HydrophobicContact CB-CD2 4.36Å; H755-F759 HydrophobicContact CB-CE2 3.56Å; H755-F759 HydrophobicContact CB-CZ 3.87Å; H755-Y861 WeakPolarHBondContact O-CE1 3.2Å |
| 756 | D | 82.8 | Confident | 90.8 | Very high | 113 Ų | 113 | 51.3 Ų | 51.3 | 60% | 0.604 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 127.9 | -178 | -177.4 | 31.5 | 0 | 0 | 0 | 111.6 | L752 Q758 Y861 | L752-D756 PolarHBondContact O-N 3.04Å; L752-D756 VanDerWaalsContact O-N 3.15Å; D756-Q758 PolarHBondContact O-N 3.12Å; D756-Q758 VanDerWaalsContact O-N 3.16Å; D756-Y861 WeakPolarHBondContact OD1-CB 3.35Å |
| 757 | G | 76.4 | Confident | 91 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 59% | 0.588 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 1.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | H755 Y861 | H755-G757 PolarHBondContact O-N 2.91Å; G757-Y861 VanDerWaalsContact N-CE1 3.25Å |
| 758 | Q | 84.1 | Confident | 91.2 | Very high | 128 Ų | 128 | 48.8 Ų | 48.8 | 60% | 0.598 | 26% | 0.26 | S | S | * | . | trans | -87.9 | -14.2 | -173.9 | -59.3 | 178 | 25.8 | 0 | 0 | 114.2 | H755 D756 | H755-Q758 HydrophobicContact CB-CB 4.25Å; H755-Q758 PolarHBondContact CD2-OE1 3.33Å; H755-Q758 WeakPolarHBondContact O-CB 3.27Å; H755-Q758 PolarHBondContact O-N 2.75Å; D756-Q758 PolarHBondContact O-N 3.12Å; D756-Q758 VanDerWaalsContact O-N 3.16Å | ||
| 759 | F | 88.6 | Confident | 91.2 | Very high | 28 Ų | 28 | 52.5 Ų | 52.5 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -94.7 | 140.1 | 178.9 | -64.5 | -61.4 | 0 | 0 | 0 | 111.9 | F751 L752 H755 Q763 L764 L799 Y861 | F751-F759 HydrophobicContact CD1-CE2 4.43Å; F751-F759 HydrophobicContact CD1-CZ 4.37Å; F751-F759 HydrophobicContact CE1-CE1 4.37Å; F751-F759 AromaticContact CE1-CE2 3.85Å; F751-F759 HydrophobicContact CE1-CE2 3.85Å; F751-F759 AromaticContact CE1-CZ 3.41Å; F751-F759 HydrophobicContact CE1-CZ 3.41Å; F751-F759 VanDerWaalsContact CE1-CZ 3.41Å; F751-F759 HydrophobicContact CZ-CE1 4.45Å; F751-F759 HydrophobicContact CZ-CE2 4.39Å; F751-F759 AromaticContact CZ-CZ 3.6Å; F751-F759 HydrophobicContact CZ-CZ 3.6Å; L752-F759 HydrophobicContact CD2-CD2 4.2Å; L752-F759 HydrophobicContact CD2-CE2 4.28Å; H755-F759 HydrophobicContact CB-CD2 4.36Å; H755-F759 HydrophobicContact CB-CE2 3.56Å; H755-F759 HydrophobicContact CB-CZ 3.87Å; F759-Q763 HydrophobicContact CB-CB 4.38Å; F759-Q763 HydrophobicContact CD1-CB 4.43Å; F759-L764 HydrophobicContact CB-CD2 3.69Å; F759-L764 HydrophobicContact CB-CG 3.96Å; F759-L764 HydrophobicContact CD2-CD2 3.99Å; F759-L764 HydrophobicContact CG-CD2 4.12Å; F759-L799 HydrophobicContact CE1-CD1 4.32Å; F759-L799 HydrophobicContact CE1-CD2 4.49Å; F759-Y861 HydrophobicContact CB-CE1 4.27Å; F759-Y861 AromaticContact CD2-CE1 3.86Å; F759-Y861 HydrophobicContact CD2-CE1 3.86Å; F759-Y861 PolarHBondContact N-OH 2.88Å; F759-Y861 PolarHBondContact O-OH 2.95Å |
| 760 | T | 90.3 | Very high | 91.4 | Very high | 74 Ų | 74 | 51.8 Ų | 51.8 | 45% | 0.454 | 27% | 0.271 | S | S | . | . | trans | -68.8 | 150.5 | 164.4 | 61.3 | 0 | 0 | 0 | 0 | 110.2 | I762 Q763 L764 | T760-I762 PolarHBondContact O-N 3.47Å; T760-I762 VanDerWaalsContact O-N 3.16Å; T760-I762 VanDerWaalsContact OG1-CG2 3.23Å; T760-I762 WeakPolarHBondContact OG1-CG2 3.42Å; T760-Q763 WeakPolarHBondContact O-CB 3.36Å; T760-Q763 PolarHBondContact O-N 3.22Å; T760-Q763 VanDerWaalsContact OG1-CD 3.32Å; T760-Q763 WeakPolarHBondContact OG1-CG 3.05Å; T760-Q763 PolarHBondContact OG1-N 2.65Å; T760-Q763 PolarHBondContact OG1-OE1 3.38Å; T760-L764 PolarHBondContact O-N 3.41Å; T760-L764 VanDerWaalsContact O-N 3.14Å | ||
| 761 | V | 89 | Confident | 91.6 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 29% | 0.291 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -52.2 | -40.2 | 176.2 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | Q763 L764 V765 P891 L894 L929 | V761-Q763 VanDerWaalsContact C-N 3.33Å; V761-Q763 PolarHBondContact O-N 3.36Å; V761-L764 WeakPolarHBondContact O-CB 3.13Å; V761-L764 PolarHBondContact O-N 2.86Å; V761-V765 HydrophobicContact CG1-CG2 4.42Å; V761-V765 WeakPolarHBondContact O-CG2 3.48Å; V761-V765 PolarHBondContact O-N 3.02Å; V761-P891 HydrophobicContact CG1-CG 3.5Å; V761-L894 HydrophobicContact CG1-CD1 4.46Å; V761-L929 HydrophobicContact CG1-CD1 4.26Å; V761-L929 HydrophobicContact CG1-CD2 4.39Å |
| 762 | I | 90.6 | Very high | 91.8 | Very high | 63 Ų | 63 | 50.1 Ų | 50.1 | 32% | 0.323 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.5 | -33.8 | 178.6 | -174.3 | 63 | 0 | 0 | 0 | 112.9 | T760 G766 I923 L929 | T760-I762 PolarHBondContact O-N 3.47Å; T760-I762 VanDerWaalsContact O-N 3.16Å; T760-I762 VanDerWaalsContact OG1-CG2 3.23Å; T760-I762 WeakPolarHBondContact OG1-CG2 3.42Å; I762-G766 PolarHBondContact O-N 3.38Å; I762-I923 HydrophobicContact CD1-CB 4.21Å; I762-I923 HydrophobicContact CD1-CG1 4.01Å; I762-I923 HydrophobicContact CD1-CG2 4.29Å; I762-L929 HydrophobicContact CD1-CD1 4.29Å |
| 763 | Q | 92.3 | Very high | 92 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.9 | -43.6 | 172.3 | -73 | 164.1 | -58.3 | 0 | 0 | 111.1 | F759 T760 V761 V765 G766 L767 | F759-Q763 HydrophobicContact CB-CB 4.38Å; F759-Q763 HydrophobicContact CD1-CB 4.43Å; T760-Q763 WeakPolarHBondContact O-CB 3.36Å; T760-Q763 PolarHBondContact O-N 3.22Å; T760-Q763 VanDerWaalsContact OG1-CD 3.32Å; T760-Q763 WeakPolarHBondContact OG1-CG 3.05Å; T760-Q763 PolarHBondContact OG1-N 2.65Å; T760-Q763 PolarHBondContact OG1-OE1 3.38Å; V761-Q763 VanDerWaalsContact C-N 3.33Å; V761-Q763 PolarHBondContact O-N 3.36Å; Q763-V765 VanDerWaalsContact C-N 3.33Å; Q763-V765 PolarHBondContact O-N 3.49Å; Q763-G766 WeakPolarHBondContact O-CA 3.21Å; Q763-G766 PolarHBondContact O-N 3.22Å; Q763-L767 WeakPolarHBondContact O-CG 3.42Å; Q763-L767 PolarHBondContact O-N 2.98Å |
| 764 | L | 94.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -41.6 | 175.2 | -62 | 179.8 | 0 | 0 | 0 | 111.9 | L752 F759 T760 V761 G766 L767 L768 V858 M859 Y861 | L752-L764 HydrophobicContact CD2-CD2 3.94Å; F759-L764 HydrophobicContact CB-CD2 3.69Å; F759-L764 HydrophobicContact CB-CG 3.96Å; F759-L764 HydrophobicContact CD2-CD2 3.99Å; F759-L764 HydrophobicContact CG-CD2 4.12Å; T760-L764 PolarHBondContact O-N 3.41Å; T760-L764 VanDerWaalsContact O-N 3.14Å; V761-L764 WeakPolarHBondContact O-CB 3.13Å; V761-L764 PolarHBondContact O-N 2.86Å; L764-G766 VanDerWaalsContact C-N 3.29Å; L764-G766 PolarHBondContact O-N 3.37Å; L764-L767 HydrophobicContact CD2-CD1 4.16Å; L764-L767 WeakPolarHBondContact O-CB 3.41Å; L764-L767 PolarHBondContact O-N 2.86Å; L764-L768 WeakPolarHBondContact O-CG 3.39Å; L764-L768 PolarHBondContact O-N 3.38Å; L764-V858 HydrophobicContact CB-CG1 4.02Å; L764-V858 HydrophobicContact CD2-CG1 3.9Å; L764-V858 HydrophobicContact CG-CG1 4.46Å; L764-M859 HydrophobicContact CB-SD 4.02Å; L764-M859 HydrophobicContact CD1-CE 4.33Å; L764-M859 HydrophobicContact CD1-SD 3.94Å; L764-Y861 HydrophobicContact CD1-CE2 4.1Å; L764-Y861 HydrophobicContact CD2-CE1 4.48Å |
| 765 | V | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -37.9 | 172.1 | 176 | 0 | 0 | 0 | 0 | 111.2 | V761 Q763 L768 R769 L894 L919 I923 L929 | V761-V765 HydrophobicContact CG1-CG2 4.42Å; V761-V765 WeakPolarHBondContact O-CG2 3.48Å; V761-V765 PolarHBondContact O-N 3.02Å; Q763-V765 VanDerWaalsContact C-N 3.33Å; Q763-V765 PolarHBondContact O-N 3.49Å; V765-L768 PolarHBondContact O-N 3.33Å; V765-R769 VanDerWaalsContact O-CB 3.26Å; V765-R769 WeakPolarHBondContact O-CB 3.47Å; V765-R769 PolarHBondContact O-N 2.72Å; V765-L894 HydrophobicContact CG2-CD1 3.59Å; V765-L894 HydrophobicContact CG2-CD2 4.06Å; V765-L894 HydrophobicContact CG2-CG 4.38Å; V765-L919 HydrophobicContact CG1-CB 4.47Å; V765-L919 HydrophobicContact CG1-CD2 4.16Å; V765-I923 HydrophobicContact CG1-CD1 4.06Å; V765-I923 HydrophobicContact CG1-CG1 3.6Å; V765-L929 HydrophobicContact CG2-CD2 4.45Å |
| 766 | G | 95.1 | Very high | 93 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 37% | 0.371 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.2 | -45.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I762 Q763 L764 L768 R769 G770 | I762-G766 PolarHBondContact O-N 3.38Å; Q763-G766 WeakPolarHBondContact O-CA 3.21Å; Q763-G766 PolarHBondContact O-N 3.22Å; L764-G766 VanDerWaalsContact C-N 3.29Å; L764-G766 PolarHBondContact O-N 3.37Å; G766-L768 PolarHBondContact O-N 3.37Å; G766-R769 PolarHBondContact O-N 3.09Å; G766-G770 PolarHBondContact O-N 3.08Å |
| 767 | L | 97.3 | Very high | 93.7 | Very high | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59 | -47.5 | 175 | -58.4 | 179.4 | 0 | 0 | 0 | 110.9 | L748 L752 Q763 L764 G770 V771 L799 | L748-L767 HydrophobicContact CD1-CD1 4.02Å; L752-L767 HydrophobicContact CD2-CD1 4.29Å; Q763-L767 WeakPolarHBondContact O-CG 3.42Å; Q763-L767 PolarHBondContact O-N 2.98Å; L764-L767 HydrophobicContact CD2-CD1 4.16Å; L764-L767 WeakPolarHBondContact O-CB 3.41Å; L764-L767 PolarHBondContact O-N 2.86Å; L767-G770 PolarHBondContact O-N 3.44Å; L767-V771 PolarHBondContact O-N 3.19Å; L767-L799 HydrophobicContact CD2-CB 4.14Å; L767-L799 VanDerWaalsContact CD2-O 3.27Å; L767-L799 WeakPolarHBondContact CD2-O 3.43Å |
| 768 | L | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 179.1 | -72.2 | 176.4 | 0 | 0 | 0 | 113 | L764 V765 G766 G770 V771 A772 Y851 V854 M855 V858 L919 | L764-L768 WeakPolarHBondContact O-CG 3.39Å; L764-L768 PolarHBondContact O-N 3.38Å; V765-L768 PolarHBondContact O-N 3.33Å; G766-L768 PolarHBondContact O-N 3.37Å; L768-G770 VanDerWaalsContact C-N 3.31Å; L768-G770 PolarHBondContact O-N 2.87Å; L768-V771 PolarHBondContact O-N 2.79Å; L768-A772 PolarHBondContact O-N 3.37Å; L768-Y851 PolarHBondContact O-OH 2.86Å; L768-V854 HydrophobicContact CD2-CG1 4.47Å; L768-M855 HydrophobicContact CD1-CB 4.34Å; L768-M855 HydrophobicContact CD1-CG 4.17Å; L768-M855 HydrophobicContact CD2-CB 4.32Å; L768-M855 HydrophobicContact CD2-CG 3.99Å; L768-V858 HydrophobicContact CD1-CB 4.39Å; L768-V858 HydrophobicContact CD1-CG1 4.33Å; L768-V858 HydrophobicContact CD2-CB 3.79Å; L768-V858 HydrophobicContact CD2-CG1 4.21Å; L768-V858 HydrophobicContact CD2-CG2 3.6Å; L768-V858 HydrophobicContact CG-CB 4.1Å; L768-V858 HydrophobicContact CG-CG1 3.99Å; L768-V858 HydrophobicContact CG-CG2 4.28Å; L768-L919 HydrophobicContact CB-CD1 4.34Å |
| 769 | R | 97.8 | Very high | 94.5 | Very high | 79 Ų | 79 | 25.6 Ų | 25.6 | 30% | 0.298 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -63.3 | -38.7 | 176.1 | -173.1 | -86 | -175.9 | -141.5 | -10.2 | 111.4 | V765 G766 A772 A773 L919 D920 I923 | V765-R769 VanDerWaalsContact O-CB 3.26Å; V765-R769 WeakPolarHBondContact O-CB 3.47Å; V765-R769 PolarHBondContact O-N 2.72Å; G766-R769 PolarHBondContact O-N 3.09Å; R769-A772 PolarHBondContact O-N 3.17Å; R769-A773 WeakPolarHBondContact O-CB 3.5Å; R769-A773 PolarHBondContact O-N 3.07Å; R769-L919 HydrophobicContact CB-CB 4.11Å; R769-L919 HydrophobicContact CB-CD1 4.24Å; R769-L919 HydrophobicContact CG-CB 4.19Å; R769-D920 WeakPolarHBondContact CG-OD1 3.49Å; R769-D920 IonicContact CZ-OD1 3.15Å; R769-D920 IonicContact CZ-OD2 3.65Å; R769-D920 IonicContact NE-OD1 2.66Å; R769-D920 PolarHBondContact NE-OD1 2.98Å; R769-D920 IonicContact NE-OD2 2.87Å; R769-D920 IonicContact NH2-OD1 2.68Å; R769-D920 PolarHBondContact NH2-OD1 3.06Å; R769-D920 IonicContact NH2-OD2 2.76Å; R769-D920 PolarHBondContact NH2-OD2 2.89Å; R769-I923 HydrophobicContact CB-CD1 3.96Å; R769-I923 HydrophobicContact CG-CD1 3.93Å |
| 770 | G | 96.4 | Very high | 94.4 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.5 | -51.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N722 G766 L767 L768 A772 A773 G774 | N722-G770 WeakPolarHBondContact CB-O 3.45Å; N722-G770 WeakPolarHBondContact ND2-CA 3.28Å; G766-G770 PolarHBondContact O-N 3.08Å; L767-G770 PolarHBondContact O-N 3.44Å; L768-G770 VanDerWaalsContact C-N 3.31Å; L768-G770 PolarHBondContact O-N 2.87Å; G770-A772 PolarHBondContact O-N 2.79Å; G770-A773 PolarHBondContact O-N 3.11Å; G770-G774 PolarHBondContact O-N 3.24Å; G770-G774 VanDerWaalsContact O-N 3.08Å |
| 771 | V | 98.4 | Very high | 94 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 177.9 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | L767 L768 A773 G774 M775 L788 I793 C801 V803 Y851 | L767-V771 PolarHBondContact O-N 3.19Å; L768-V771 PolarHBondContact O-N 2.79Å; V771-A773 VanDerWaalsContact C-N 3.32Å; V771-A773 PolarHBondContact O-N 2.89Å; V771-G774 PolarHBondContact O-N 3.33Å; V771-M775 PolarHBondContact O-N 3.03Å; V771-L788 HydrophobicContact CG1-CD1 4.26Å; V771-I793 HydrophobicContact CG1-CD1 3.8Å; V771-I793 HydrophobicContact CG1-CG1 4.32Å; V771-I793 HydrophobicContact CG2-CB 4.47Å; V771-I793 HydrophobicContact CG2-CD1 4.02Å; V771-I793 HydrophobicContact CG2-CG1 3.96Å; V771-I793 HydrophobicContact CG2-CG2 3.7Å; V771-C801 HydrophobicContact CG2-CB 3.72Å; V771-V803 HydrophobicContact CG1-CG2 4.36Å; V771-Y851 HydrophobicContact CB-CE2 3.98Å; V771-Y851 HydrophobicContact CG1-CD2 3.89Å; V771-Y851 HydrophobicContact CG1-CE2 3.77Å |
| 772 | A | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.1 | -35.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L768 R769 G770 M775 T776 Y851 I915 V916 L919 | L768-A772 PolarHBondContact O-N 3.37Å; R769-A772 PolarHBondContact O-N 3.17Å; G770-A772 PolarHBondContact O-N 2.79Å; A772-M775 PolarHBondContact O-N 3Å; A772-T776 WeakPolarHBondContact O-CB 3.49Å; A772-T776 PolarHBondContact O-N 2.87Å; A772-T776 PolarHBondContact O-OG1 3.09Å; A772-Y851 HydrophobicContact CB-CE2 3.94Å; A772-I915 HydrophobicContact CB-CG2 3.95Å; A772-V916 HydrophobicContact CB-CG2 3.6Å; A772-L919 HydrophobicContact CB-CD1 4.13Å |
| 773 | A | 97.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 24.8 Ų | 24.8 | 7% | 0.074 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.2 | -43.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H720 R769 G770 V771 M775 T776 Y777 V916 | H720-A773 PolarHBondContact CE1-O 2.91Å; R769-A773 WeakPolarHBondContact O-CB 3.5Å; R769-A773 PolarHBondContact O-N 3.07Å; G770-A773 PolarHBondContact O-N 3.11Å; V771-A773 VanDerWaalsContact C-N 3.32Å; V771-A773 PolarHBondContact O-N 2.89Å; A773-M775 PolarHBondContact O-N 3.15Å; A773-T776 WeakPolarHBondContact O-CB 3.13Å; A773-T776 PolarHBondContact O-N 2.61Å; A773-Y777 PolarHBondContact O-N 3.16Å; A773-Y777 VanDerWaalsContact O-N 3.13Å; A773-V916 HydrophobicContact CB-CG2 4.48Å |
| 774 | G | 96.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | G770 V771 Y777 L778 | G770-G774 PolarHBondContact O-N 3.24Å; G770-G774 VanDerWaalsContact O-N 3.08Å; V771-G774 PolarHBondContact O-N 3.33Å; G774-Y777 PolarHBondContact O-N 3.05Å; G774-L778 WeakPolarHBondContact O-CG 3.26Å; G774-L778 PolarHBondContact O-N 3.46Å |
| 775 | M | 97.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -72.5 | -26.4 | 176.8 | -69.5 | -56 | -52.1 | 0 | 0 | 114.2 | V771 A772 A773 L778 S779 H785 L788 V803 D847 F912 | V771-M775 PolarHBondContact O-N 3.03Å; A772-M775 PolarHBondContact O-N 3Å; A773-M775 PolarHBondContact O-N 3.15Å; M775-L778 HydrophobicContact SD-CD1 3.97Å; M775-S779 VanDerWaalsContact O-CB 3.24Å; M775-S779 WeakPolarHBondContact O-CB 3.39Å; M775-S779 PolarHBondContact O-N 3.44Å; M775-H785 HydrophobicContact CE-CB 4Å; M775-H785 HydrophobicContact SD-CB 4.37Å; M775-L788 HydrophobicContact CE-CD2 4.14Å; M775-L788 HydrophobicContact CG-CD1 4.09Å; M775-L788 HydrophobicContact CG-CD2 3.71Å; M775-L788 HydrophobicContact SD-CD1 3.82Å; M775-L788 HydrophobicContact SD-CD2 3.89Å; M775-L788 HydrophobicContact SD-CG 4.4Å; M775-V803 HydrophobicContact CG-CG2 4.25Å; M775-V803 HydrophobicContact SD-CG1 3.99Å; M775-V803 HydrophobicContact SD-CG2 4.21Å; M775-D847 HydrophobicContact CE-CB 3.86Å; M775-F912 HydrophobicContact CB-CD1 3.55Å; M775-F912 HydrophobicContact CB-CD2 3.95Å; M775-F912 HydrophobicContact CB-CE1 3.44Å; M775-F912 VanDerWaalsContact CB-CE1 3.44Å; M775-F912 HydrophobicContact CB-CE2 3.85Å; M775-F912 HydrophobicContact CB-CG 3.8Å; M775-F912 HydrophobicContact CB-CZ 3.6Å; M775-F912 HydrophobicContact CE-CE2 3.9Å; M775-F912 HydrophobicContact CE-CZ 3.9Å; M775-F912 HydrophobicContact CG-CE1 3.97Å; M775-F912 HydrophobicContact CG-CZ 4Å |
| 776 | T | 96.8 | Very high | 92.3 | Very high | 19 Ų | 19 | 26.2 Ų | 26.2 | 12% | 0.117 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.2 | -53.1 | 170 | -57.2 | 0 | 0 | 0 | 0 | 109.5 | A772 A773 L778 S779 D780 F912 C913 V916 | A772-T776 WeakPolarHBondContact O-CB 3.49Å; A772-T776 PolarHBondContact O-N 2.87Å; A772-T776 PolarHBondContact O-OG1 3.09Å; A773-T776 WeakPolarHBondContact O-CB 3.13Å; A773-T776 PolarHBondContact O-N 2.61Å; T776-L778 PolarHBondContact O-N 3.5Å; T776-S779 PolarHBondContact O-N 3.5Å; T776-D780 WeakPolarHBondContact O-CB 3.38Å; T776-D780 VanDerWaalsContact O-CG 3.24Å; T776-D780 PolarHBondContact O-N 2.81Å; T776-F912 VanDerWaalsContact OG1-C 3.3Å; T776-F912 WeakPolarHBondContact OG1-CB 3.35Å; T776-F912 PolarHBondContact OG1-O 3.45Å; T776-C913 HydrophobicContact CG2-CB 3.9Å; T776-V916 WeakPolarHBondContact OG1-CG2 3.44Å |
| 777 | Y | 95.6 | Very high | 92 | Very high | 54 Ų | 54 | 24.9 Ų | 24.9 | 21% | 0.212 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.1 | -50 | 177.1 | 172.9 | -97.9 | 0 | 0 | 0 | 112.5 | F718 D719 H720 V723 A773 G774 S779 D780 L781 | F718-Y777 HydrophobicContact CB-CE1 4.11Å; F718-Y777 HydrophobicContact CD1-CE1 4.31Å; F718-Y777 HydrophobicContact CG-CE1 4.48Å; D719-Y777 PolarHBondContact N-OH 3.47Å; D719-Y777 PolarHBondContact O-OH 3.31Å; H720-Y777 HydrophobicContact CB-CD1 3.57Å; H720-Y777 HydrophobicContact CB-CD2 3.99Å; H720-Y777 HydrophobicContact CB-CE1 3.78Å; H720-Y777 HydrophobicContact CB-CE2 4.18Å; H720-Y777 HydrophobicContact CB-CG 3.67Å; H720-Y777 AromaticContact CD2-CD2 3.93Å; H720-Y777 AromaticContact CD2-CG 3.87Å; H720-Y777 AromaticContact CG-CG 3.75Å; V723-Y777 HydrophobicContact CG2-CD1 4.05Å; A773-Y777 PolarHBondContact O-N 3.16Å; A773-Y777 VanDerWaalsContact O-N 3.13Å; G774-Y777 PolarHBondContact O-N 3.05Å; Y777-S779 PolarHBondContact O-N 3.34Å; Y777-D780 PolarHBondContact O-N 2.94Å; Y777-L781 HydrophobicContact CD1-CD1 4.13Å; Y777-L781 HydrophobicContact CE1-CD1 3.53Å; Y777-L781 HydrophobicContact CE1-CG 4.48Å; Y777-L781 HydrophobicContact CE2-CD1 4.24Å; Y777-L781 WeakPolarHBondContact O-CG 3.31Å; Y777-L781 PolarHBondContact O-N 2.91Å; Y777-L781 VanDerWaalsContact O-N 3.11Å |
| 778 | L | 90.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.4 | -43.4 | 178.3 | -68.2 | 174.3 | 0 | 0 | 0 | 112.3 | F718 V723 G774 M775 T776 D780 L781 G782 Y783 V803 F806 | F718-L778 HydrophobicContact CD1-CD2 3.87Å; F718-L778 HydrophobicContact CD2-CD2 3.77Å; F718-L778 HydrophobicContact CE1-CD2 3.73Å; F718-L778 HydrophobicContact CE2-CD2 3.62Å; F718-L778 HydrophobicContact CG-CD2 3.91Å; F718-L778 HydrophobicContact CZ-CD2 3.61Å; V723-L778 HydrophobicContact CG2-CD1 4.37Å; V723-L778 HydrophobicContact CG2-CD2 4.41Å; V723-L778 HydrophobicContact CG2-CG 4.18Å; G774-L778 WeakPolarHBondContact O-CG 3.26Å; G774-L778 PolarHBondContact O-N 3.46Å; M775-L778 HydrophobicContact SD-CD1 3.97Å; T776-L778 PolarHBondContact O-N 3.5Å; L778-D780 PolarHBondContact O-N 3.43Å; L778-L781 PolarHBondContact O-N 3.31Å; L778-G782 PolarHBondContact O-N 2.84Å; L778-Y783 HydrophobicContact CB-CD1 4.28Å; L778-Y783 HydrophobicContact CD1-CD1 4.36Å; L778-Y783 HydrophobicContact CD2-CD1 4.06Å; L778-Y783 HydrophobicContact CD2-CG 4.47Å; L778-Y783 HydrophobicContact CG-CD1 4.47Å; L778-Y783 WeakPolarHBondContact O-CB 3.37Å; L778-Y783 PolarHBondContact O-N 2.88Å; L778-V803 HydrophobicContact CD1-CB 4.47Å; L778-V803 HydrophobicContact CD1-CG1 3.88Å; L778-F806 HydrophobicContact CD1-CE1 4.01Å |
| 779 | S | 88.2 | Confident | 91.7 | Very high | 30 Ų | 30 | 24.6 Ų | 24.6 | 21% | 0.21 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.7 | -34.6 | 178 | -178.3 | 0 | 0 | 0 | 0 | 113 | M775 T776 Y777 L781 G782 S844 | M775-S779 VanDerWaalsContact O-CB 3.24Å; M775-S779 WeakPolarHBondContact O-CB 3.39Å; M775-S779 PolarHBondContact O-N 3.44Å; T776-S779 PolarHBondContact O-N 3.5Å; Y777-S779 PolarHBondContact O-N 3.34Å; S779-L781 VanDerWaalsContact C-N 3.34Å; S779-G782 PolarHBondContact O-N 3.24Å; S779-G782 VanDerWaalsContact O-N 3.1Å; S779-S844 VanDerWaalsContact OG-CB 3.22Å; S779-S844 WeakPolarHBondContact OG-CB 3.48Å; S779-S844 PolarHBondContact OG-OG 2.81Å |
| 780 | D | 85.8 | Confident | 91.7 | Very high | 114 Ų | 114 | 20.9 Ų | 20.9 | 61% | 0.61 | 12% | 0.119 | S | C | * | . | H | α-helix | trans | -72.1 | -29.7 | 178.8 | -69.8 | -17.6 | 0 | 0 | 0 | 111.4 | T776 Y777 L778 G782 | T776-D780 WeakPolarHBondContact O-CB 3.38Å; T776-D780 VanDerWaalsContact O-CG 3.24Å; T776-D780 PolarHBondContact O-N 2.81Å; Y777-D780 PolarHBondContact O-N 2.94Å; L778-D780 PolarHBondContact O-N 3.43Å; D780-G782 PolarHBondContact O-N 2.87Å |
| 781 | L | 82.6 | Confident | 91.5 | Very high | 25 Ų | 25 | 24.4 Ų | 24.4 | 13% | 0.131 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -10.1 | 167.6 | -64.5 | 179 | 0 | 0 | 0 | 113.6 | R635 Y637 F718 Y777 L778 S779 | R635-L781 WeakPolarHBondContact O-CD2 3.34Å; Y637-L781 WeakPolarHBondContact CB-O 3.47Å; Y637-L781 PolarHBondContact N-O 2.64Å; F718-L781 HydrophobicContact CD1-CD1 3.74Å; F718-L781 HydrophobicContact CE1-CD1 3.97Å; Y777-L781 HydrophobicContact CD1-CD1 4.13Å; Y777-L781 HydrophobicContact CE1-CD1 3.53Å; Y777-L781 HydrophobicContact CE1-CG 4.48Å; Y777-L781 HydrophobicContact CE2-CD1 4.24Å; Y777-L781 WeakPolarHBondContact O-CG 3.31Å; Y777-L781 PolarHBondContact O-N 2.91Å; Y777-L781 VanDerWaalsContact O-N 3.11Å; L778-L781 PolarHBondContact O-N 3.31Å; S779-L781 VanDerWaalsContact C-N 3.34Å |
| 782 | G | 77.8 | Confident | 91.3 | Very high | 49 Ų | 49 | 24.9 Ų | 24.9 | 51% | 0.505 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 9.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | L778 S779 D780 | L778-G782 PolarHBondContact O-N 2.84Å; S779-G782 PolarHBondContact O-N 3.24Å; S779-G782 VanDerWaalsContact O-N 3.1Å; D780-G782 PolarHBondContact O-N 2.87Å |
| 783 | Y | 84.3 | Confident | 91.3 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 3% | 0.027 | 13% | 0.133 | C | C | . | . | trans | -81 | 140.3 | 178.1 | -172.7 | -96.2 | 0 | 0 | 0 | 112.1 | Y637 I714 F718 L778 H785 F806 | Y637-Y783 AromaticContact CD1-CD2 3.84Å; Y637-Y783 HydrophobicContact CD1-CD2 3.84Å; Y637-Y783 AromaticContact CD2-CD2 3.74Å; Y637-Y783 HydrophobicContact CD2-CD2 3.74Å; Y637-Y783 HydrophobicContact CD2-CE2 4.44Å; Y637-Y783 AromaticContact CE1-CD2 3.69Å; Y637-Y783 HydrophobicContact CE1-CD2 3.69Å; Y637-Y783 HydrophobicContact CE1-CE2 4.13Å; Y637-Y783 AromaticContact CE2-CD2 3.58Å; Y637-Y783 HydrophobicContact CE2-CD2 3.58Å; Y637-Y783 AromaticContact CE2-CE2 3.83Å; Y637-Y783 HydrophobicContact CE2-CE2 3.83Å; Y637-Y783 AromaticContact CG-CD2 3.86Å; Y637-Y783 HydrophobicContact CG-CD2 3.86Å; Y637-Y783 AromaticContact CZ-CD2 3.54Å; Y637-Y783 AromaticContact CZ-CE2 3.64Å; I714-Y783 HydrophobicContact CG2-CE2 3.75Å; F718-Y783 HydrophobicContact CE1-CD2 4.48Å; F718-Y783 HydrophobicContact CE1-CG 4.36Å; F718-Y783 HydrophobicContact CE2-CD1 4.5Å; F718-Y783 HydrophobicContact CZ-CD1 4.02Å; F718-Y783 AromaticContact CZ-CD2 3.71Å; F718-Y783 HydrophobicContact CZ-CD2 3.71Å; F718-Y783 HydrophobicContact CZ-CE1 4.34Å; F718-Y783 HydrophobicContact CZ-CE2 4.05Å; F718-Y783 AromaticContact CZ-CG 3.69Å; F718-Y783 HydrophobicContact CZ-CG 3.69Å; L778-Y783 HydrophobicContact CB-CD1 4.28Å; L778-Y783 HydrophobicContact CD1-CD1 4.36Å; L778-Y783 HydrophobicContact CD2-CD1 4.06Å; L778-Y783 HydrophobicContact CD2-CG 4.47Å; L778-Y783 HydrophobicContact CG-CD1 4.47Å; L778-Y783 WeakPolarHBondContact O-CB 3.37Å; L778-Y783 PolarHBondContact O-N 2.88Å; Y783-H785 HydrophobicContact CE1-CB 4.44Å; Y783-F806 AromaticContact CE1-CD1 3.62Å; Y783-F806 HydrophobicContact CE1-CD1 3.62Å; Y783-F806 AromaticContact CE1-CE1 4Å; Y783-F806 HydrophobicContact CE1-CE1 4Å; Y783-F806 AromaticContact CZ-CD1 3.82Å | ||
| 784 | I | 86.5 | Confident | 91.2 | Very high | 44 Ų | 44 | 26.5 Ų | 26.5 | 23% | 0.226 | 14% | 0.14 | C | C | . | . | trans | -120.7 | 122.5 | 178.4 | -54.3 | 161 | 0 | 0 | 0 | 108.4 | R786 F842 D847 | I784-R786 HydrophobicContact CG2-CG 3.93Å; I784-F842 HydrophobicContact CG2-CB 4.14Å; I784-D847 WeakPolarHBondContact CA-OD2 3.49Å; I784-D847 WeakPolarHBondContact CG2-OD2 3.42Å | ||
| 785 | H | 88.9 | Confident | 91.2 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | trans | -79 | -35.9 | -171.6 | -167.3 | -31.5 | 0 | 0 | 0 | 113.7 | M775 Y783 D787 V803 S804 D805 D847 | M775-H785 HydrophobicContact CE-CB 4Å; M775-H785 HydrophobicContact SD-CB 4.37Å; Y783-H785 HydrophobicContact CE1-CB 4.44Å; H785-D787 PolarHBondContact CE1-O 2.97Å; H785-D787 PolarHBondContact O-N 2.86Å; H785-V803 WeakPolarHBondContact CD2-CG1 3.47Å; H785-V803 VanDerWaalsContact NE2-CG1 3.26Å; H785-V803 WeakPolarHBondContact NE2-CG1 3.39Å; H785-S804 PolarHBondContact CE1-O 2.98Å; H785-S804 VanDerWaalsContact CE1-O 3.31Å; H785-S804 PolarHBondContact NE2-O 3.19Å; H785-D805 PolarHBondContact CE1-O 3.17Å; H785-D805 VanDerWaalsContact CE1-O 3.25Å; H785-D847 PolarHBondContact N-OD2 3.13Å | ||
| 786 | R | 87.1 | Confident | 91 | Very high | 69 Ų | 69 | 27.7 Ų | 27.7 | 26% | 0.26 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 65.4 | -21.7 | 176.9 | -48.1 | -177.7 | -174.1 | 165 | 5 | 116.9 | I784 S809 F842 D847 | I784-R786 HydrophobicContact CG2-CG 3.93Å; R786-S809 PolarHBondContact NH1-O 3.48Å; R786-F842 HydrophobicContact CB-CD1 3.87Å; R786-F842 HydrophobicContact CB-CE1 4Å; R786-F842 HydrophobicContact CG-CB 4.15Å; R786-F842 HydrophobicContact CG-CD1 3.76Å; R786-F842 HydrophobicContact CG-CE1 4.32Å; R786-F842 HydrophobicContact CG-CG 3.95Å; R786-D847 PolarHBondContact N-OD1 3.33Å |
| 787 | D | 88.7 | Confident | 90.8 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | trans | -135 | 58.7 | 172.8 | -170.2 | 24.5 | 0 | 0 | 0 | 112.6 | H785 A789 R791 N792 L808 P828 | H785-D787 PolarHBondContact CE1-O 2.97Å; H785-D787 PolarHBondContact O-N 2.86Å; D787-A789 PolarHBondContact O-N 2.89Å; D787-R791 IonicContact OD1-CZ 3.26Å; D787-R791 IonicContact OD1-NH2 2.73Å; D787-R791 PolarHBondContact OD1-NH2 2.86Å; D787-R791 IonicContact OD2-CZ 2.72Å; D787-R791 IonicContact OD2-NE 2.64Å; D787-R791 IonicContact OD2-NH2 3.39Å; D787-R791 PolarHBondContact OD2-NH2 3.46Å; D787-N792 VanDerWaalsContact CG-ND2 3.27Å; D787-N792 PolarHBondContact O-ND2 3.38Å; D787-N792 PolarHBondContact OD2-ND2 3.08Å; D787-L808 HydrophobicContact CB-CD1 3.44Å; D787-L808 VanDerWaalsContact CB-CD1 3.44Å; D787-L808 WeakPolarHBondContact OD2-CD1 3.42Å; D787-P828 HydrophobicContact CB-CG 4.04Å; D787-P828 WeakPolarHBondContact OD1-CB 3.18Å; D787-P828 WeakPolarHBondContact OD1-CG 3.32Å | ||
| 788 | L | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -80.1 | 108.2 | 172.8 | -179.2 | 66.2 | 0 | 0 | 0 | 110 | V771 M775 I793 S850 Y851 V854 F912 | V771-L788 HydrophobicContact CG1-CD1 4.26Å; M775-L788 HydrophobicContact CE-CD2 4.14Å; M775-L788 HydrophobicContact CG-CD1 4.09Å; M775-L788 HydrophobicContact CG-CD2 3.71Å; M775-L788 HydrophobicContact SD-CD1 3.82Å; M775-L788 HydrophobicContact SD-CD2 3.89Å; M775-L788 HydrophobicContact SD-CG 4.4Å; L788-I793 HydrophobicContact CD1-CD1 3.86Å; L788-S850 WeakPolarHBondContact O-CB 3.23Å; L788-Y851 HydrophobicContact CD2-CD2 4.27Å; L788-V854 HydrophobicContact CG-CG2 4.23Å; L788-F912 HydrophobicContact CD2-CZ 4.31Å | ||
| 789 | A | 95.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -146.5 | 156.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | D787 R791 N792 I793 W831 | D787-A789 PolarHBondContact O-N 2.89Å; A789-R791 HydrophobicContact CB-CG 3.91Å; A789-R791 PolarHBondContact O-N 3.48Å; A789-R791 VanDerWaalsContact O-N 3.11Å; A789-N792 PolarHBondContact O-N 2.9Å; A789-I793 PolarHBondContact O-N 3.32Å; A789-W831 HydrophobicContact CB-CD2 4.01Å; A789-W831 HydrophobicContact CB-CG 3.93Å; A789-W831 HydrophobicContact CB-CZ2 4.48Å | ||
| 790 | A | 96.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -60.4 | -26.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L748 D749 N792 I793 E857 | L748-A790 WeakPolarHBondContact CB-O 3.41Å; L748-A790 PolarHBondContact N-O 3.13Å; D749-A790 HydrophobicContact CB-CB 3.92Å; D749-A790 PolarHBondContact N-O 3.26Å; A790-N792 VanDerWaalsContact C-N 3.27Å; A790-N792 PolarHBondContact O-N 2.92Å; A790-I793 PolarHBondContact O-N 2.85Å; A790-E857 HydrophobicContact CB-CB 3.94Å; A790-E857 HydrophobicContact CB-CG 4.39Å; A790-E857 WeakPolarHBondContact CB-OE2 3.13Å; A790-E857 PolarHBondContact N-OE2 2.81Å |
| 791 | R | 93.7 | Very high | 91.7 | Very high | 81 Ų | 81 | 31.8 Ų | 31.8 | 31% | 0.306 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -64.7 | -26.4 | 171.9 | 58.6 | 167.1 | -165 | -73.8 | -1.2 | 114.3 | S747 D749 D787 A789 W831 | S747-R791 VanDerWaalsContact CB-O 3.3Å; S747-R791 WeakPolarHBondContact CB-O 3.45Å; D749-R791 WeakPolarHBondContact OD1-CA 3.4Å; D787-R791 IonicContact OD1-CZ 3.26Å; D787-R791 IonicContact OD1-NH2 2.73Å; D787-R791 PolarHBondContact OD1-NH2 2.86Å; D787-R791 IonicContact OD2-CZ 2.72Å; D787-R791 IonicContact OD2-NE 2.64Å; D787-R791 IonicContact OD2-NH2 3.39Å; D787-R791 PolarHBondContact OD2-NH2 3.46Å; A789-R791 HydrophobicContact CB-CG 3.91Å; A789-R791 PolarHBondContact O-N 3.48Å; A789-R791 VanDerWaalsContact O-N 3.11Å; R791-W831 VanDerWaalsContact NH1-CZ3 3.31Å |
| 792 | N | 94.3 | Very high | 92.4 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 5% | 0.048 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -98.8 | 6.5 | -178.5 | -62.8 | -3.8 | 0 | 0 | 0 | 111.8 | D787 A789 A790 S804 D805 | D787-N792 VanDerWaalsContact CG-ND2 3.27Å; D787-N792 PolarHBondContact O-ND2 3.38Å; D787-N792 PolarHBondContact OD2-ND2 3.08Å; A789-N792 PolarHBondContact O-N 2.9Å; A790-N792 VanDerWaalsContact C-N 3.27Å; A790-N792 PolarHBondContact O-N 2.92Å; N792-S804 CarbonylContact O-C 3.52Å; N792-S804 WeakPolarHBondContact O-CA 3.36Å; N792-S804 PolarHBondContact O-N 3.28Å; N792-S804 PolarHBondContact O-OG 3.38Å; N792-D805 HydrophobicContact CB-CB 4.22Å |
| 793 | I | 97.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.7 | 168.7 | -54.4 | -54.3 | 0 | 0 | 0 | 108.3 | S747 L748 V771 L788 A789 A790 C801 K802 V803 | S747-I793 CarbonylContact C-O 3.5Å; S747-I793 WeakPolarHBondContact CA-O 3.49Å; L748-I793 HydrophobicContact CB-CB 3.88Å; L748-I793 HydrophobicContact CB-CG2 4.06Å; L748-I793 WeakPolarHBondContact CB-O 3.36Å; L748-I793 HydrophobicContact CD2-CB 3.97Å; L748-I793 HydrophobicContact CD2-CG1 4.38Å; L748-I793 HydrophobicContact CD2-CG2 3.82Å; L748-I793 PolarHBondContact N-O 3.14Å; V771-I793 HydrophobicContact CG1-CD1 3.8Å; V771-I793 HydrophobicContact CG1-CG1 4.32Å; V771-I793 HydrophobicContact CG2-CB 4.47Å; V771-I793 HydrophobicContact CG2-CD1 4.02Å; V771-I793 HydrophobicContact CG2-CG1 3.96Å; V771-I793 HydrophobicContact CG2-CG2 3.7Å; L788-I793 HydrophobicContact CD1-CD1 3.86Å; A789-I793 PolarHBondContact O-N 3.32Å; A790-I793 PolarHBondContact O-N 2.85Å; I793-C801 HydrophobicContact CG2-CB 3.68Å; I793-K802 CarbonylContact C-O 3.57Å; I793-K802 WeakPolarHBondContact CA-O 3.38Å; I793-V803 HydrophobicContact CD1-CB 4.33Å; I793-V803 HydrophobicContact CD1-CG2 3.96Å |
| 794 | L | 95.9 | Very high | 93.7 | Very high | 44 Ų | 44 | 29.1 Ų | 29.1 | 23% | 0.23 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 148 | 174.9 | -64.3 | 173.1 | 0 | 0 | 0 | 111.1 | I724 M743 G746 C801 K802 | I724-L794 HydrophobicContact CD1-CD1 4Å; I724-L794 HydrophobicContact CG1-CD1 4.36Å; M743-L794 HydrophobicContact CB-CB 3.85Å; M743-L794 HydrophobicContact CB-CD1 4.38Å; M743-L794 HydrophobicContact CE-CB 3.87Å; M743-L794 VanDerWaalsContact CE-O 3.31Å; M743-L794 WeakPolarHBondContact CE-O 3.17Å; M743-L794 HydrophobicContact CG-CB 3.74Å; M743-L794 HydrophobicContact CG-CD1 4.01Å; M743-L794 HydrophobicContact CG-CG 4.48Å; G746-L794 WeakPolarHBondContact O-CA 3.4Å; L794-C801 CarbonylContact O-C 3.6Å; L794-C801 WeakPolarHBondContact O-CA 3.46Å; L794-K802 PolarHBondContact N-O 3.41Å; L794-K802 PolarHBondContact O-N 2.86Å |
| 795 | V | 96.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 133.7 | -178 | -170.8 | 0 | 0 | 0 | 0 | 110 | M743 N745 G746 L748 F751 | M743-V795 CarbonylContact C-O 3.25Å; N745-V795 HydrophobicContact CB-CB 3.96Å; N745-V795 HydrophobicContact CB-CG1 4.15Å; N745-V795 WeakPolarHBondContact CB-O 3.32Å; N745-V795 PolarHBondContact N-O 3.46Å; G746-V795 PolarHBondContact O-N 3.15Å; L748-V795 HydrophobicContact CB-CG2 3.78Å; L748-V795 HydrophobicContact CD1-CG2 3.72Å; L748-V795 HydrophobicContact CG-CG2 4.32Å; F751-V795 HydrophobicContact CD1-CB 4.46Å; F751-V795 HydrophobicContact CD1-CG1 4.16Å; F751-V795 HydrophobicContact CD1-CG2 4.27Å; F751-V795 HydrophobicContact CE1-CG1 4.13Å |
| 796 | N | 94 | Very high | 93.1 | Very high | 26 Ų | 26 | 30.1 Ų | 30.1 | 14% | 0.139 | 16% | 0.156 | C | C | . | . | trans | -95.9 | 175.7 | 174.7 | 78.4 | 2.7 | 0 | 0 | 0 | 112.3 | M743 E744 N745 N798 L799 V800 | M743-N796 HydrophobicContact CE-CB 3.89Å; M743-N796 HydrophobicContact SD-CB 3.96Å; E744-N796 WeakPolarHBondContact OE2-CA 3.46Å; E744-N796 VanDerWaalsContact OE2-CB 3.27Å; E744-N796 WeakPolarHBondContact OE2-CB 3.39Å; N745-N796 PolarHBondContact ND2-O 3.14Å; N796-N798 PolarHBondContact O-N 3.28Å; N796-N798 VanDerWaalsContact O-N 3.15Å; N796-N798 WeakPolarHBondContact OD1-CA 3.36Å; N796-N798 PolarHBondContact OD1-N 2.88Å; N796-L799 PolarHBondContact O-N 3.2Å; N796-L799 PolarHBondContact OD1-N 3.33Å; N796-V800 PolarHBondContact N-O 3.22Å; N796-V800 WeakPolarHBondContact OD1-CB 3.48Å; N796-V800 PolarHBondContact OD1-N 3.09Å | ||
| 797 | S | 92.1 | Very high | 91.7 | Very high | 63 Ų | 63 | 27.2 Ų | 27.2 | 44% | 0.441 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -26.4 | 177.9 | 50.5 | 0 | 0 | 0 | 0 | 114.5 | E744 | E744-S797 VanDerWaalsContact CD-OG 3.29Å; E744-S797 WeakPolarHBondContact OE1-CB 3.19Å; E744-S797 PolarHBondContact OE1-OG 3.32Å; E744-S797 PolarHBondContact OE2-N 2.93Å |
| 798 | N | 93.3 | Very high | 89.9 | Confident | 129 Ų | 129 | 30.1 Ų | 30.1 | 69% | 0.69 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 15.6 | 178.5 | -62.7 | -57.7 | 0 | 0 | 0 | 113.5 | N796 V800 | N796-N798 PolarHBondContact O-N 3.28Å; N796-N798 VanDerWaalsContact O-N 3.15Å; N796-N798 WeakPolarHBondContact OD1-CA 3.36Å; N796-N798 PolarHBondContact OD1-N 2.88Å; N798-V800 HydrophobicContact CB-CG2 4.28Å; N798-V800 PolarHBondContact O-N 3.24Å |
| 799 | L | 93.1 | Very high | 87.7 | Confident | 59 Ų | 59 | 30.8 Ų | 30.8 | 31% | 0.309 | 17% | 0.167 | S | C | . | . | trans | 61 | 21.2 | -176.7 | -50.6 | -179.7 | 0 | 0 | 0 | 114.5 | F751 F759 L767 N796 C801 | F751-L799 HydrophobicContact CE1-CD2 3.82Å; F751-L799 HydrophobicContact CZ-CD2 3.47Å; F751-L799 VanDerWaalsContact CZ-CD2 3.47Å; F759-L799 HydrophobicContact CE1-CD1 4.32Å; F759-L799 HydrophobicContact CE1-CD2 4.49Å; L767-L799 HydrophobicContact CD2-CB 4.14Å; L767-L799 VanDerWaalsContact CD2-O 3.27Å; L767-L799 WeakPolarHBondContact CD2-O 3.43Å; N796-L799 PolarHBondContact O-N 3.2Å; N796-L799 PolarHBondContact OD1-N 3.33Å; L799-C801 PolarHBondContact O-N 3.07Å | ||
| 800 | V | 95.6 | Very high | 85.3 | Confident | 50 Ų | 50 | 33.3 Ų | 33.3 | 30% | 0.303 | 18% | 0.177 | S | C | . | . | trans | -79.4 | 115.3 | 174.4 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | N796 N798 | N796-V800 PolarHBondContact N-O 3.22Å; N796-V800 WeakPolarHBondContact OD1-CB 3.48Å; N796-V800 PolarHBondContact OD1-N 3.09Å; N798-V800 HydrophobicContact CB-CG2 4.28Å; N798-V800 PolarHBondContact O-N 3.24Å | ||
| 801 | C | 97.3 | Very high | 82.4 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 135.2 | 169.3 | -69.1 | 0 | 0 | 0 | 0 | 111.3 | N722 V771 I793 L794 L799 | N722-C801 PolarHBondContact ND2-O 3.27Å; V771-C801 HydrophobicContact CG2-CB 3.72Å; I793-C801 HydrophobicContact CG2-CB 3.68Å; L794-C801 CarbonylContact O-C 3.6Å; L794-C801 WeakPolarHBondContact O-CA 3.46Å; L799-C801 PolarHBondContact O-N 3.07Å |
| 802 | K | 97.1 | Very high | 79.6 | Confident | 15 Ų | 15 | 38 Ų | 38 | 7% | 0.065 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 131.9 | 171.4 | -63.4 | -171.3 | 171.6 | -126.4 | 0 | 111.4 | P721 N722 V723 I724 E741 M743 I793 L794 | P721-K802 WeakPolarHBondContact O-CE 3.3Å; P721-K802 PolarHBondContact O-NZ 2.9Å; N722-K802 WeakPolarHBondContact O-CA 3.49Å; V723-K802 PolarHBondContact O-NZ 3.32Å; I724-K802 HydrophobicContact CD1-CD 4.3Å; E741-K802 VanDerWaalsContact OE1-CD 3.26Å; E741-K802 WeakPolarHBondContact OE1-CD 3.34Å; E741-K802 VanDerWaalsContact OE1-CE 3.32Å; E741-K802 WeakPolarHBondContact OE1-CE 3.48Å; E741-K802 IonicContact OE1-NZ 3.41Å; E741-K802 PolarHBondContact OE1-NZ 3.08Å; E741-K802 WeakPolarHBondContact OE2-CE 3.48Å; E741-K802 IonicContact OE2-NZ 2.87Å; E741-K802 PolarHBondContact OE2-NZ 3.09Å; M743-K802 HydrophobicContact CE-CB 3.88Å; M743-K802 HydrophobicContact CE-CD 3.73Å; M743-K802 HydrophobicContact CE-CG 3.68Å; M743-K802 HydrophobicContact SD-CD 3.84Å; M743-K802 HydrophobicContact SD-CG 4.46Å; I793-K802 CarbonylContact C-O 3.57Å; I793-K802 WeakPolarHBondContact CA-O 3.38Å; L794-K802 PolarHBondContact N-O 3.41Å; L794-K802 PolarHBondContact O-N 2.86Å |
| 803 | V | 96.8 | Very high | 76.7 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 134.8 | 172.5 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | N722 I724 V771 M775 L778 H785 I793 F806 | N722-V803 PolarHBondContact O-N 2.78Å; I724-V803 WeakPolarHBondContact CG2-O 3.36Å; I724-V803 PolarHBondContact N-O 3.08Å; V771-V803 HydrophobicContact CG1-CG2 4.36Å; M775-V803 HydrophobicContact CG-CG2 4.25Å; M775-V803 HydrophobicContact SD-CG1 3.99Å; M775-V803 HydrophobicContact SD-CG2 4.21Å; L778-V803 HydrophobicContact CD1-CB 4.47Å; L778-V803 HydrophobicContact CD1-CG1 3.88Å; H785-V803 WeakPolarHBondContact CD2-CG1 3.47Å; H785-V803 VanDerWaalsContact NE2-CG1 3.26Å; H785-V803 WeakPolarHBondContact NE2-CG1 3.39Å; I793-V803 HydrophobicContact CD1-CB 4.33Å; I793-V803 HydrophobicContact CD1-CG2 3.96Å; V803-F806 HydrophobicContact CG1-CE1 4.44Å; V803-F806 HydrophobicContact CG1-CZ 4.49Å |
| 804 | S | 91.9 | Very high | 73.7 | Confident | 11 Ų | 11 | 51.4 Ų | 51.4 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | trans | -150.8 | 179.2 | -175.1 | 72 | 0 | 0 | 0 | 0 | 112.3 | H785 N792 | H785-S804 PolarHBondContact CE1-O 2.98Å; H785-S804 VanDerWaalsContact CE1-O 3.31Å; H785-S804 PolarHBondContact NE2-O 3.19Å; N792-S804 CarbonylContact O-C 3.52Å; N792-S804 WeakPolarHBondContact O-CA 3.36Å; N792-S804 PolarHBondContact O-N 3.28Å; N792-S804 PolarHBondContact O-OG 3.38Å | ||
| 805 | D | 82.8 | Confident | 70.7 | Confident | 66 Ų | 66 | 54.2 Ų | 54.2 | 35% | 0.353 | 29% | 0.293 | S | S | . | . | trans | 61.2 | 82.4 | -177.2 | -159.4 | -7 | 0 | 0 | 0 | 114.4 | H785 N792 G807 | H785-D805 PolarHBondContact CE1-O 3.17Å; H785-D805 VanDerWaalsContact CE1-O 3.25Å; N792-D805 HydrophobicContact CB-CB 4.22Å; D805-G807 PolarHBondContact OD1-N 3.45Å | ||
| 806 | F | 79.4 | Confident | 67.6 | Low | 1 Ų | 1 | 60.1 Ų | 60.1 | 0% | 0.004 | 33% | 0.332 | C | S | . | . | trans | -94.5 | 13.1 | 179.9 | -56.5 | -74.1 | 0 | 0 | 0 | 113.2 | I714 M715 F718 V723 I724 L778 Y783 V803 L808 | I714-F806 HydrophobicContact CB-CB 4.49Å; I714-F806 HydrophobicContact CG2-CB 3.87Å; I714-F806 HydrophobicContact CG2-CD1 4.44Å; I714-F806 HydrophobicContact CG2-CG 4.08Å; M715-F806 HydrophobicContact CG-CD2 3.33Å; M715-F806 HydrophobicContact CG-CE2 3.69Å; M715-F806 HydrophobicContact CG-CG 4.41Å; M715-F806 HydrophobicContact SD-CD2 4.08Å; F718-F806 HydrophobicContact CD2-CE1 4.29Å; F718-F806 HydrophobicContact CD2-CE2 4.22Å; F718-F806 AromaticContact CD2-CZ 3.96Å; F718-F806 HydrophobicContact CD2-CZ 3.96Å; F718-F806 HydrophobicContact CE2-CD1 4.07Å; F718-F806 AromaticContact CE2-CE1 3.81Å; F718-F806 HydrophobicContact CE2-CE1 3.81Å; F718-F806 HydrophobicContact CE2-CE2 4.31Å; F718-F806 HydrophobicContact CE2-CG 4.43Å; F718-F806 AromaticContact CE2-CZ 3.94Å; F718-F806 HydrophobicContact CE2-CZ 3.94Å; V723-F806 HydrophobicContact CG1-CE2 4.47Å; V723-F806 HydrophobicContact CG1-CZ 3.9Å; I724-F806 HydrophobicContact CG2-CE2 3.84Å; L778-F806 HydrophobicContact CD1-CE1 4.01Å; Y783-F806 AromaticContact CE1-CD1 3.62Å; Y783-F806 HydrophobicContact CE1-CD1 3.62Å; Y783-F806 AromaticContact CE1-CE1 4Å; Y783-F806 HydrophobicContact CE1-CE1 4Å; Y783-F806 AromaticContact CZ-CD1 3.82Å; V803-F806 HydrophobicContact CG1-CE1 4.44Å; V803-F806 HydrophobicContact CG1-CZ 4.49Å; F806-L808 PolarHBondContact O-N 3.23Å | ||
| 807 | G | 59.8 | Low | 64.7 | Low | 9 Ų | 9 | 66.4 Ų | 66.4 | 9% | 0.093 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -68.1 | -13.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116 | D805 | D805-G807 PolarHBondContact OD1-N 3.45Š|
| 808 | L | 50.2 | Low | 61.8 | Low | 69 Ų | 69 | 65.3 Ų | 65.3 | 36% | 0.361 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -97.8 | 19.7 | -173.6 | -70.7 | 168.1 | 0 | 0 | 0 | 114.8 | D787 F806 R810 | D787-L808 HydrophobicContact CB-CD1 3.44Å; D787-L808 VanDerWaalsContact CB-CD1 3.44Å; D787-L808 WeakPolarHBondContact OD2-CD1 3.42Å; F806-L808 PolarHBondContact O-N 3.23Å; L808-R810 PolarHBondContact O-N 2.84Å |
| 809 | S | 48.3 | Very low | 58.8 | Low | 13 Ų | 13 | 63.3 Ų | 63.3 | 9% | 0.091 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -68.3 | -15.1 | 169.3 | 54.9 | 0 | 0 | 0 | 0 | 113.9 | I714 R786 | I714-S809 WeakPolarHBondContact CD1-OG 3.44Å; R786-S809 PolarHBondContact NH1-O 3.48Å |
| 810 | R | 46.1 | Very low | 55.7 | Low | 53 Ų | 53 | 69.4 Ų | 69.4 | 20% | 0.2 | 38% | 0.382 | C | S | . | . | trans | -76 | 154.6 | -165.2 | -56.8 | -170.8 | -162.2 | 127.3 | 18.8 | 115.9 | D707 L808 | D707-R810 VanDerWaalsContact CG-NH1 3.3Å; D707-R810 PolarHBondContact O-NH2 3.34Å; D707-R810 IonicContact OD1-NE 3.04Å; D707-R810 IonicContact OD2-CZ 3.56Å; D707-R810 IonicContact OD2-NE 3.55Å; D707-R810 IonicContact OD2-NH1 2.71Å; D707-R810 PolarHBondContact OD2-NH1 2.84Å; L808-R810 PolarHBondContact O-N 2.84Å | ||
| 811 | V | 34.6 | Very low | 52.5 | Low | 108 Ų | 108 | 72.7 Ų | 72.7 | 66% | 0.655 | 40% | 0.402 | S | S | * | . | trans | -117.2 | 124.9 | 168.4 | 169.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 812 | L | 35 | Very low | 49.3 | Very low | 73 Ų | 73 | 76.8 Ų | 76.8 | 38% | 0.382 | 43% | 0.428 | S | S | . | . | trans | 60 | 124.1 | 158.2 | -75.6 | 165 | 0 | 0 | 0 | 121.4 | G824 | L812-G824 VanDerWaalsContact CD2-N 3.32Š| ||
| 813 | E | 32.7 | Very low | 46.3 | Very low | 152 Ų | 152 | 80.9 Ų | 80.9 | 71% | 0.71 | 46% | 0.458 | S | S | * | . | -175.4 | 139.2 | 85.1 | -90.5 | -173.7 | 163.5 | 0 | 0 | 111.7 | |||||
| 814 | D | 35.6 | Very low | 43.5 | Very low | 138 Ų | 138 | 81.9 Ų | 81.9 | 74% | 0.738 | 47% | 0.468 | S | S | * | . | trans | 26.9 | 112 | 155.5 | -58.6 | -5.9 | 0 | 0 | 0 | 122.5 | ||||
| 815 | D | 33.2 | Very low | 41.4 | Very low | 102 Ų | 102 | 83.8 Ų | 83.8 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | trans | -142.8 | 119.3 | 155.3 | 180 | 7.2 | 0 | 0 | 0 | 108.1 | D817 | D815-D817 VanDerWaalsContact C-N 3.33Å; D815-D817 PolarHBondContact O-N 3.11Å | ||
| 816 | P | 31.5 | Very low | 40.2 | Very low | 124 Ų | 124 | 88.3 Ų | 88.3 | 81% | 0.805 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -25 | -171.5 | -24.6 | 35.1 | 0 | 0 | 0 | 116.2 | ||
| 817 | D | 32.8 | Very low | 39.7 | Very low | 158 Ų | 158 | 90.2 Ų | 90.2 | 85% | 0.845 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | 9.9 | -169.5 | -77.8 | -30.8 | 0 | 0 | 0 | 114.6 | D815 | D815-D817 VanDerWaalsContact C-N 3.33Å; D815-D817 PolarHBondContact O-N 3.11Å |
| 818 | A | 31.8 | Very low | 40.9 | Very low | 41 Ų | 41 | 90.7 Ų | 90.7 | 34% | 0.339 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -108.3 | 75.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y820 | A818-Y820 PolarHBondContact O-N 3.43Š|
| 819 | A | 28.7 | Very low | 42.6 | Very low | 86 Ų | 86 | 88.9 Ų | 88.9 | 71% | 0.711 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -54.8 | 96.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 820 | Y | 28.5 | Very low | 44.7 | Very low | 187 Ų | 187 | 88.8 Ų | 88.8 | 73% | 0.733 | 51% | 0.505 | S | S | * | . | 176.4 | 91 | 111.8 | -93.1 | -72.2 | 0 | 0 | 0 | 108.1 | A818 T822 | A818-Y820 PolarHBondContact O-N 3.43Å; Y820-T822 PolarHBondContact O-N 2.92Å | |||
| 821 | T | 29.5 | Very low | 47 | Very low | 119 Ų | 119 | 88 Ų | 88 | 73% | 0.73 | 50% | 0.502 | S | S | * | . | trans | -78.3 | 113.1 | 178.9 | 43.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 822 | T | 29.4 | Very low | 49.8 | Very low | 88 Ų | 88 | 83 Ų | 83 | 54% | 0.54 | 47% | 0.472 | S | S | . | . | S | Bend | -107.8 | 151 | 126.8 | 50.9 | 0 | 0 | 0 | 0 | 107.9 | Y820 G824 R840 | Y820-T822 PolarHBondContact O-N 2.92Å; T822-G824 PolarHBondContact O-N 3.42Å; T822-R840 VanDerWaalsContact O-CZ 3.25Å; T822-R840 PolarHBondContact O-NH1 3.11Å; T822-R840 PolarHBondContact O-NH2 3.14Å; T822-R840 PolarHBondContact OG1-NE 3.43Å; T822-R840 PolarHBondContact OG1-NH2 2.95Å | |
| 823 | S | 33 | Very low | 52.5 | Low | 100 Ų | 100 | 79.6 Ų | 79.6 | 70% | 0.699 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -59 | 102.1 | -165.1 | -42.3 | 0 | 0 | 0 | 0 | 111.9 | R840 | S823-R840 PolarHBondContact O-NH1 2.9Š|
| 824 | G | 38.4 | Very low | 55.2 | Low | 21 Ų | 21 | 72.9 Ų | 72.9 | 22% | 0.216 | 42% | 0.424 | C | S | . | . | S | Bend | trans | 155.9 | 14 | -178.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | L812 T822 | L812-G824 VanDerWaalsContact CD2-N 3.32Å; T822-G824 PolarHBondContact O-N 3.42Å |
| 825 | G | 48.3 | Very low | 57.6 | Low | 51 Ų | 51 | 67.4 Ų | 67.4 | 53% | 0.526 | 39% | 0.394 | S | S | . | . | trans | 92.5 | -175 | 171 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 826 | K | 56.9 | Low | 59.9 | Low | 162 Ų | 162 | 62.5 Ų | 62.5 | 70% | 0.704 | 37% | 0.368 | S | S | * | . | trans | -82.7 | 131.5 | -173.3 | -66.8 | 176.2 | -179.3 | 169.3 | 0 | 111.3 | ||||
| 827 | I | 68.6 | Low | 62.3 | Low | 40 Ų | 40 | 58.3 Ų | 58.3 | 21% | 0.205 | 34% | 0.338 | C | S | . | . | trans | -114.6 | 134.3 | -178 | -66.9 | 179.5 | 0 | 0 | 0 | 111.3 | I829 T832 R840 F842 | I827-I829 VanDerWaalsContact C-N 3.28Å; I827-I829 HydrophobicContact CB-CD1 4.35Å; I827-I829 HydrophobicContact CG2-CD1 4.03Å; I827-I829 PolarHBondContact O-N 3.2Å; I827-T832 HydrophobicContact CG2-CG2 3.75Å; I827-T832 VanDerWaalsContact CG2-OG1 3.26Å; I827-T832 WeakPolarHBondContact CG2-OG1 3.48Å; I827-R840 VanDerWaalsContact CD1-NE 3.25Å; I827-F842 HydrophobicContact CD1-CZ 3.98Å; I827-F842 HydrophobicContact CG1-CZ 4.33Å | ||
| 828 | P | 85.5 | Confident | 64.3 | Low | 20 Ų | 20 | 53.7 Ų | 53.7 | 13% | 0.13 | 32% | 0.322 | C | S | . | . | trans | -80.1 | 65 | -177.4 | 36.1 | -40 | 0 | 0 | 0 | 112.5 | D787 R830 W831 T832 | D787-P828 HydrophobicContact CB-CG 4.04Å; D787-P828 WeakPolarHBondContact OD1-CB 3.18Å; D787-P828 WeakPolarHBondContact OD1-CG 3.32Å; P828-R830 PolarHBondContact O-N 3.03Å; P828-W831 HydrophobicContact CB-CE3 4.15Å; P828-W831 PolarHBondContact O-N 3.49Å; P828-T832 VanDerWaalsContact C-OG1 3.3Å; P828-T832 PolarHBondContact O-N 2.82Å; P828-T832 PolarHBondContact O-OG1 3.29Å; P828-T832 VanDerWaalsContact O-OG1 3.1Å | ||
| 829 | I | 86.6 | Confident | 66.2 | Low | 30 Ų | 30 | 59.5 Ų | 59.5 | 15% | 0.154 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -35.6 | -41.3 | -167.6 | -59.7 | -58.7 | 0 | 0 | 0 | 117 | I827 W831 T832 I837 N871 I875 | I827-I829 VanDerWaalsContact C-N 3.28Å; I827-I829 HydrophobicContact CB-CD1 4.35Å; I827-I829 HydrophobicContact CG2-CD1 4.03Å; I827-I829 PolarHBondContact O-N 3.2Å; I829-W831 VanDerWaalsContact C-N 3.29Å; I829-W831 PolarHBondContact O-N 3.42Å; I829-T832 PolarHBondContact O-N 3.49Å; I829-I837 HydrophobicContact CD1-CG1 4.46Å; I829-I837 HydrophobicContact CG2-CD1 4.41Å; I829-N871 HydrophobicContact CB-CB 4.12Å; I829-N871 HydrophobicContact CG1-CB 4.26Å; I829-N871 HydrophobicContact CG2-CB 4.01Å; I829-N871 WeakPolarHBondContact CG2-O 3.25Å; I829-I875 HydrophobicContact CD1-CD1 4.26Å; I829-I875 HydrophobicContact CG2-CD1 3.9Å; I829-I875 HydrophobicContact CG2-CG1 3.55Å |
| 830 | R | 92.8 | Very high | 68.2 | Low | 12 Ų | 12 | 58.6 Ų | 58.6 | 5% | 0.045 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -21.5 | -176.7 | -62.8 | 168.7 | -171.2 | -84.3 | -19.4 | 114.4 | P828 P865 Y866 W867 L869 N871 V874 | P828-R830 PolarHBondContact O-N 3.03Å; R830-P865 HydrophobicContact CB-CB 4.3Å; R830-P865 WeakPolarHBondContact CD-O 3.39Å; R830-P865 PolarHBondContact NH1-O 3.01Å; R830-Y866 HydrophobicContact CB-CD2 4.22Å; R830-Y866 HydrophobicContact CG-CD2 4.43Å; R830-Y866 WeakPolarHBondContact O-CE2 3.27Å; R830-W867 PolarHBondContact NH1-O 3.02Å; R830-L869 PolarHBondContact NH1-O 2.94Å; R830-L869 PolarHBondContact NH2-O 2.73Å; R830-N871 PolarHBondContact NE-OD1 2.96Å; R830-N871 PolarHBondContact NH2-OD1 3.35Å; R830-V874 HydrophobicContact CG-CG2 4.47Å |
| 831 | W | 94.8 | Very high | 70.2 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -17.9 | 177.8 | -62.8 | -97.5 | 0 | 0 | 0 | 111.6 | A789 R791 P828 I829 W849 S850 V853 E857 P865 | A789-W831 HydrophobicContact CB-CD2 4.01Å; A789-W831 HydrophobicContact CB-CG 3.93Å; A789-W831 HydrophobicContact CB-CZ2 4.48Å; R791-W831 VanDerWaalsContact NH1-CZ3 3.31Å; P828-W831 HydrophobicContact CB-CE3 4.15Å; P828-W831 PolarHBondContact O-N 3.49Å; I829-W831 VanDerWaalsContact C-N 3.29Å; I829-W831 PolarHBondContact O-N 3.42Å; W831-W849 VanDerWaalsContact O-CD1 3.31Å; W831-S850 VanDerWaalsContact O-CA 3.25Å; W831-S850 WeakPolarHBondContact O-CA 3.43Å; W831-S850 WeakPolarHBondContact O-CB 3.18Å; W831-S850 PolarHBondContact O-OG 2.8Å; W831-V853 VanDerWaalsContact CD1-CG1 3.47Å; W831-V853 HydrophobicContact CG-CB 4.47Å; W831-V853 HydrophobicContact CG-CG1 4.12Å; W831-E857 WeakPolarHBondContact CZ2-OE1 3.45Å; W831-E857 PolarHBondContact NE1-OE1 3.44Å; W831-E857 PolarHBondContact NE1-OE2 2.87Å; W831-P865 HydrophobicContact CZ2-CG 3.85Å |
| 832 | T | 91.5 | Very high | 72.6 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -77.4 | 140.8 | -173.9 | -46.1 | 0 | 0 | 0 | 0 | 113 | I827 P828 I829 A836 I837 F842 W849 | I827-T832 HydrophobicContact CG2-CG2 3.75Å; I827-T832 VanDerWaalsContact CG2-OG1 3.26Å; I827-T832 WeakPolarHBondContact CG2-OG1 3.48Å; P828-T832 VanDerWaalsContact C-OG1 3.3Å; P828-T832 PolarHBondContact O-N 2.82Å; P828-T832 PolarHBondContact O-OG1 3.29Å; P828-T832 VanDerWaalsContact O-OG1 3.1Å; I829-T832 PolarHBondContact O-N 3.49Å; T832-A836 HydrophobicContact CG2-CB 3.56Å; T832-I837 HydrophobicContact CG2-CG1 3.73Å; T832-I837 WeakPolarHBondContact O-CD1 3.32Å; T832-F842 HydrophobicContact CG2-CE1 4.27Å; T832-W849 PolarHBondContact O-NE1 3.15Å |
| 833 | A | 92.1 | Very high | 75.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -68.8 | 153.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | E835 A836 I837 W849 | A833-E835 VanDerWaalsContact C-N 3.3Å; A833-E835 WeakPolarHBondContact CB-OE1 3.28Å; A833-E835 WeakPolarHBondContact CB-OE2 3.14Å; A833-E835 PolarHBondContact O-N 2.94Å; A833-A836 HydrophobicContact CB-CB 4.44Å; A833-A836 PolarHBondContact O-N 2.76Å; A833-I837 WeakPolarHBondContact O-CG1 3.47Å; A833-I837 PolarHBondContact O-N 3.43Å; A833-W849 HydrophobicContact CB-CB 3.73Å; A833-W849 HydrophobicContact CB-CD2 4.1Å; A833-W849 HydrophobicContact CB-CG 3.71Å | ||
| 834 | P | 89.9 | Confident | 77.8 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 7% | 0.071 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.1 | -42.8 | -178 | -21.8 | 30.2 | 0 | 0 | 0 | 113 | A836 I837 A838 W849 V878 | P834-A836 VanDerWaalsContact C-N 3.32Å; P834-A836 PolarHBondContact O-N 2.97Å; P834-I837 PolarHBondContact O-N 2.95Å; P834-A838 VanDerWaalsContact O-CB 3.31Å; P834-A838 WeakPolarHBondContact O-CB 3.34Å; P834-A838 PolarHBondContact O-N 3.02Å; P834-W849 VanDerWaalsContact CD-CZ3 3.48Å; P834-W849 HydrophobicContact CG-CE3 4.3Å; P834-W849 HydrophobicContact CG-CH2 3.51Å; P834-W849 HydrophobicContact CG-CZ2 4Å; P834-W849 HydrophobicContact CG-CZ3 3.67Å; P834-V878 HydrophobicContact CG-CG1 3.77Å |
| 835 | E | 85 | Confident | 80.3 | Confident | 23 Ų | 23 | 47 Ų | 47 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.2 | -25.9 | -179.3 | 73.1 | -76.1 | -178.5 | 0 | 0 | 113.7 | A833 Y839 K841 R909 | A833-E835 VanDerWaalsContact C-N 3.3Å; A833-E835 WeakPolarHBondContact CB-OE1 3.28Å; A833-E835 WeakPolarHBondContact CB-OE2 3.14Å; A833-E835 PolarHBondContact O-N 2.94Å; E835-Y839 HydrophobicContact CB-CD2 4.28Å; E835-Y839 WeakPolarHBondContact O-CA 3.45Å; E835-Y839 WeakPolarHBondContact O-CB 3.49Å; E835-Y839 PolarHBondContact O-N 2.77Å; E835-K841 PolarHBondContact O-N 2.78Å; E835-R909 IonicContact OE1-CZ 2.71Å; E835-R909 IonicContact OE1-NH1 3.49Å; E835-R909 PolarHBondContact OE1-NH1 3.08Å; E835-R909 IonicContact OE1-NH2 3.24Å; E835-R909 IonicContact OE2-CZ 3.14Å; E835-R909 IonicContact OE2-NH1 3.37Å; E835-R909 PolarHBondContact OE2-NH1 2.85Å; E835-R909 IonicContact OE2-NH2 2.76Å; E835-R909 PolarHBondContact OE2-NH2 3.27Å |
| 836 | A | 82.8 | Confident | 82.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -81.7 | -32.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T832 A833 P834 R840 F842 | T832-A836 HydrophobicContact CG2-CB 3.56Å; A833-A836 HydrophobicContact CB-CB 4.44Å; A833-A836 PolarHBondContact O-N 2.76Å; P834-A836 VanDerWaalsContact C-N 3.32Å; P834-A836 PolarHBondContact O-N 2.97Å; A836-R840 VanDerWaalsContact O-CA 3.31Å; A836-R840 WeakPolarHBondContact O-CA 3.32Å; A836-R840 PolarHBondContact O-N 3.41Å; A836-F842 HydrophobicContact CB-CD1 3.91Å; A836-F842 HydrophobicContact CB-CE1 3.88Å; A836-F842 HydrophobicContact CB-CG 4.4Å; A836-F842 HydrophobicContact CB-CZ 4.33Å |
| 837 | I | 80.6 | Confident | 84 | Confident | 36 Ų | 36 | 37 Ų | 37 | 19% | 0.185 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.5 | -55 | 169.7 | -65.6 | 169 | 0 | 0 | 0 | 110.5 | I829 T832 A833 P834 I875 | I829-I837 HydrophobicContact CD1-CG1 4.46Å; I829-I837 HydrophobicContact CG2-CD1 4.41Å; T832-I837 HydrophobicContact CG2-CG1 3.73Å; T832-I837 WeakPolarHBondContact O-CD1 3.32Å; A833-I837 WeakPolarHBondContact O-CG1 3.47Å; A833-I837 PolarHBondContact O-N 3.43Å; P834-I837 PolarHBondContact O-N 2.95Å; I837-I875 HydrophobicContact CD1-CG1 4.35Å; I837-I875 HydrophobicContact CG2-CD1 4.13Å; I837-I875 HydrophobicContact CG2-CG1 3.99Å; I837-I875 HydrophobicContact CG2-CG2 4.14Å |
| 838 | A | 76.2 | Confident | 85.4 | Confident | 60 Ų | 60 | 35.1 Ų | 35.1 | 50% | 0.496 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -76 | -38.7 | -171 | 0 | 0 | 0 | 0 | 0 | 113.6 | P834 | P834-A838 VanDerWaalsContact O-CB 3.31Å; P834-A838 WeakPolarHBondContact O-CB 3.34Å; P834-A838 PolarHBondContact O-N 3.02Å |
| 839 | Y | 71.8 | Confident | 86 | Confident | 164 Ų | 164 | 34.3 Ų | 34.3 | 64% | 0.643 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -122.3 | 6.7 | -170.2 | -49.3 | -67.3 | 0 | 0 | 0 | 114.3 | E835 K841 | E835-Y839 HydrophobicContact CB-CD2 4.28Å; E835-Y839 WeakPolarHBondContact O-CA 3.45Å; E835-Y839 WeakPolarHBondContact O-CB 3.49Å; E835-Y839 PolarHBondContact O-N 2.77Å; Y839-K841 PolarHBondContact O-N 2.93Å; Y839-K841 VanDerWaalsContact O-N 3.09Å |
| 840 | R | 71.1 | Confident | 86.5 | Confident | 66 Ų | 66 | 33 Ų | 33 | 25% | 0.249 | 16% | 0.164 | C | C | . | . | trans | 56 | 20.9 | -174.5 | -66.2 | -74.9 | -179.1 | 94.5 | -14.8 | 114.1 | T822 S823 I827 A836 F842 | T822-R840 VanDerWaalsContact O-CZ 3.25Å; T822-R840 PolarHBondContact O-NH1 3.11Å; T822-R840 PolarHBondContact O-NH2 3.14Å; T822-R840 PolarHBondContact OG1-NE 3.43Å; T822-R840 PolarHBondContact OG1-NH2 2.95Å; S823-R840 PolarHBondContact O-NH1 2.9Å; I827-R840 VanDerWaalsContact CD1-NE 3.25Å; A836-R840 VanDerWaalsContact O-CA 3.31Å; A836-R840 WeakPolarHBondContact O-CA 3.32Å; A836-R840 PolarHBondContact O-N 3.41Å; R840-F842 WeakPolarHBondContact O-CD2 3.14Å; R840-F842 PolarHBondContact O-N 3.08Å | ||
| 841 | K | 70 | Confident | 86.8 | Confident | 127 Ų | 127 | 32.5 Ų | 32.5 | 55% | 0.552 | 16% | 0.162 | S | C | * | . | trans | -89.6 | 91.3 | -177.2 | -72.9 | 178.3 | -177.5 | 174.8 | 0 | 111.5 | E835 Y839 | E835-K841 PolarHBondContact O-N 2.78Å; Y839-K841 PolarHBondContact O-N 2.93Å; Y839-K841 VanDerWaalsContact O-N 3.09Å | ||
| 842 | F | 80.4 | Confident | 87 | Confident | 52 Ų | 52 | 30.8 Ų | 30.8 | 23% | 0.228 | 16% | 0.156 | C | C | . | . | trans | -83 | 144.1 | 172.7 | -61.6 | -87.2 | 0 | 0 | 0 | 111.8 | I784 R786 I827 T832 A836 R840 S846 | I784-F842 HydrophobicContact CG2-CB 4.14Å; R786-F842 HydrophobicContact CB-CD1 3.87Å; R786-F842 HydrophobicContact CB-CE1 4Å; R786-F842 HydrophobicContact CG-CB 4.15Å; R786-F842 HydrophobicContact CG-CD1 3.76Å; R786-F842 HydrophobicContact CG-CE1 4.32Å; R786-F842 HydrophobicContact CG-CG 3.95Å; I827-F842 HydrophobicContact CD1-CZ 3.98Å; I827-F842 HydrophobicContact CG1-CZ 4.33Å; T832-F842 HydrophobicContact CG2-CE1 4.27Å; A836-F842 HydrophobicContact CB-CD1 3.91Å; A836-F842 HydrophobicContact CB-CE1 3.88Å; A836-F842 HydrophobicContact CB-CG 4.4Å; A836-F842 HydrophobicContact CB-CZ 4.33Å; R840-F842 WeakPolarHBondContact O-CD2 3.14Å; R840-F842 PolarHBondContact O-N 3.08Å; F842-S846 WeakPolarHBondContact CA-OG 3.4Å | ||
| 843 | S | 83.6 | Confident | 87.3 | Confident | 23 Ų | 23 | 30.6 Ų | 30.6 | 16% | 0.161 | 15% | 0.154 | C | C | . | . | trans | -161.2 | 170.7 | 177.4 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | S845 S846 D847 | S843-S845 PolarHBondContact O-N 3.35Å; S843-S845 VanDerWaalsContact O-N 3.17Å; S843-S845 PolarHBondContact OG-N 3.31Å; S843-S846 PolarHBondContact N-OG 2.75Å; S843-S846 PolarHBondContact O-N 3.41Å; S843-S846 PolarHBondContact O-OG 2.97Å; S843-S846 PolarHBondContact OG-N 3.26Å; S843-D847 PolarHBondContact O-N 2.82Å; S843-D847 VanDerWaalsContact O-N 3.14Å | ||
| 844 | S | 87.3 | Confident | 87.6 | Confident | 36 Ų | 36 | 30.6 Ų | 30.6 | 25% | 0.252 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -54.1 | -35.1 | 170.7 | -46.5 | 0 | 0 | 0 | 0 | 112.4 | S779 S846 D847 V848 | S779-S844 VanDerWaalsContact OG-CB 3.22Å; S779-S844 WeakPolarHBondContact OG-CB 3.48Å; S779-S844 PolarHBondContact OG-OG 2.81Å; S844-S846 VanDerWaalsContact C-N 3.31Å; S844-S846 PolarHBondContact O-N 2.91Å; S844-D847 PolarHBondContact O-N 3.2Å; S844-V848 WeakPolarHBondContact O-CG2 3.39Å; S844-V848 PolarHBondContact O-N 3.05Å |
| 845 | S | 90.4 | Very high | 88 | Confident | 33 Ų | 33 | 30 Ų | 30 | 23% | 0.231 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.5 | -24.2 | 174.8 | -57.9 | 0 | 0 | 0 | 0 | 114.1 | S843 W849 R906 R909 | S843-S845 PolarHBondContact O-N 3.35Å; S843-S845 VanDerWaalsContact O-N 3.17Å; S843-S845 PolarHBondContact OG-N 3.31Å; S845-W849 PolarHBondContact O-N 2.79Å; S845-R906 WeakPolarHBondContact CB-O 3.41Å; S845-R906 PolarHBondContact OG-O 2.81Å; S845-R909 WeakPolarHBondContact O-CD 3.42Å; S845-R909 PolarHBondContact O-NH1 2.91Å |
| 846 | S | 89.1 | Confident | 88.6 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -78.7 | -32.9 | 171.3 | 66.8 | 0 | 0 | 0 | 0 | 111.4 | F842 S843 S844 V848 W849 S850 | F842-S846 WeakPolarHBondContact CA-OG 3.4Å; S843-S846 PolarHBondContact N-OG 2.75Å; S843-S846 PolarHBondContact O-N 3.41Å; S843-S846 PolarHBondContact O-OG 2.97Å; S843-S846 PolarHBondContact OG-N 3.26Å; S844-S846 VanDerWaalsContact C-N 3.31Å; S844-S846 PolarHBondContact O-N 2.91Å; S846-V848 VanDerWaalsContact C-N 3.33Å; S846-W849 WeakPolarHBondContact O-CB 3.31Å; S846-W849 PolarHBondContact O-N 2.73Å; S846-S850 PolarHBondContact O-N 3.42Å; S846-S850 PolarHBondContact O-OG 2.74Å; S846-S850 VanDerWaalsContact O-OG 3.09Å |
| 847 | D | 94.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69 | -30.9 | 171 | -71.3 | -18.1 | 0 | 0 | 0 | 112.1 | M775 I784 H785 R786 S843 S844 W849 S850 Y851 F912 | M775-D847 HydrophobicContact CE-CB 3.86Å; I784-D847 WeakPolarHBondContact CA-OD2 3.49Å; I784-D847 WeakPolarHBondContact CG2-OD2 3.42Å; H785-D847 PolarHBondContact N-OD2 3.13Å; R786-D847 PolarHBondContact N-OD1 3.33Å; S843-D847 PolarHBondContact O-N 2.82Å; S843-D847 VanDerWaalsContact O-N 3.14Å; S844-D847 PolarHBondContact O-N 3.2Å; D847-W849 VanDerWaalsContact C-N 3.32Å; D847-W849 PolarHBondContact O-N 3.06Å; D847-S850 WeakPolarHBondContact O-CB 3.34Å; D847-S850 PolarHBondContact O-N 3.26Å; D847-Y851 WeakPolarHBondContact O-CB 3.35Å; D847-Y851 PolarHBondContact O-N 2.99Å; D847-F912 HydrophobicContact CB-CE2 4.01Å; D847-F912 HydrophobicContact CB-CZ 4.01Å |
| 848 | V | 97.9 | Very high | 90 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.5 | -40.5 | 171.2 | 165.1 | 0 | 0 | 0 | 0 | 111.6 | S844 S846 Y851 G852 C901 R909 P910 F912 I915 | S844-V848 WeakPolarHBondContact O-CG2 3.39Å; S844-V848 PolarHBondContact O-N 3.05Å; S846-V848 VanDerWaalsContact C-N 3.33Å; V848-Y851 WeakPolarHBondContact O-CB 3.46Å; V848-Y851 PolarHBondContact O-N 3.38Å; V848-G852 PolarHBondContact O-N 2.96Å; V848-C901 HydrophobicContact CG1-CB 3.98Å; V848-R909 HydrophobicContact CG1-CB 4Å; V848-P910 WeakPolarHBondContact CG1-O 3.22Å; V848-P910 WeakPolarHBondContact CG2-O 3.45Å; V848-F912 HydrophobicContact CB-CZ 4.44Å; V848-F912 HydrophobicContact CG2-CD1 4.37Å; V848-F912 HydrophobicContact CG2-CD2 3.9Å; V848-F912 HydrophobicContact CG2-CE1 4.15Å; V848-F912 HydrophobicContact CG2-CE2 3.65Å; V848-F912 HydrophobicContact CG2-CG 4.25Å; V848-F912 HydrophobicContact CG2-CZ 3.79Å; V848-I915 HydrophobicContact CG1-CD1 4.07Å; V848-I915 HydrophobicContact CG2-CD1 4.29Å |
| 849 | W | 98.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 173.7 | 175.7 | -72.2 | 0 | 0 | 0 | 111.3 | W831 T832 A833 P834 S845 S846 D847 Y851 G852 V853 V878 R883 C901 W902 | W831-W849 VanDerWaalsContact O-CD1 3.31Å; T832-W849 PolarHBondContact O-NE1 3.15Å; A833-W849 HydrophobicContact CB-CB 3.73Å; A833-W849 HydrophobicContact CB-CD2 4.1Å; A833-W849 HydrophobicContact CB-CG 3.71Å; P834-W849 VanDerWaalsContact CD-CZ3 3.48Å; P834-W849 HydrophobicContact CG-CE3 4.3Å; P834-W849 HydrophobicContact CG-CH2 3.51Å; P834-W849 HydrophobicContact CG-CZ2 4Å; P834-W849 HydrophobicContact CG-CZ3 3.67Å; S845-W849 PolarHBondContact O-N 2.79Å; S846-W849 WeakPolarHBondContact O-CB 3.31Å; S846-W849 PolarHBondContact O-N 2.73Å; D847-W849 VanDerWaalsContact C-N 3.32Å; D847-W849 PolarHBondContact O-N 3.06Å; W849-Y851 VanDerWaalsContact C-N 3.27Å; W849-Y851 PolarHBondContact O-N 3.33Å; W849-G852 WeakPolarHBondContact O-CA 3.32Å; W849-G852 PolarHBondContact O-N 3Å; W849-G852 VanDerWaalsContact O-N 3.08Å; W849-V853 PolarHBondContact O-N 3.28Å; W849-V878 HydrophobicContact CH2-CG1 3.71Å; W849-V878 HydrophobicContact CZ2-CG1 3.53Å; W849-V878 HydrophobicContact CZ2-CG2 4.43Å; W849-R883 VanDerWaalsContact CH2-CZ 3.44Å; W849-C901 WeakPolarHBondContact CA-O 3.47Å; W849-W902 AromaticContact CD2-CD1 3.69Å; W849-W902 HydrophobicContact CD2-CG 4.45Å; W849-W902 AromaticContact CE2-CD1 3.84Å; W849-W902 HydrophobicContact CE3-CB 4.07Å; W849-W902 HydrophobicContact CE3-CG 4.48Å; W849-W902 AromaticContact CG-CD1 3.93Å; W849-W902 HydrophobicContact CH2-CB 4.23Å; W849-W902 HydrophobicContact CZ3-CB 3.93Å; W849-W902 VanDerWaalsContact CZ3-O 3.23Å; W849-W902 WeakPolarHBondContact CZ3-O 3.42Å; W849-W902 PolarHBondContact O-NE1 3.17Å |
| 850 | S | 97.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 3% | 0.028 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.1 | -40.7 | 175.3 | -48.5 | 0 | 0 | 0 | 0 | 111.4 | L788 W831 S846 D847 G852 V853 V854 | L788-S850 WeakPolarHBondContact O-CB 3.23Å; W831-S850 VanDerWaalsContact O-CA 3.25Å; W831-S850 WeakPolarHBondContact O-CA 3.43Å; W831-S850 WeakPolarHBondContact O-CB 3.18Å; W831-S850 PolarHBondContact O-OG 2.8Å; S846-S850 PolarHBondContact O-N 3.42Å; S846-S850 PolarHBondContact O-OG 2.74Å; S846-S850 VanDerWaalsContact O-OG 3.09Å; D847-S850 WeakPolarHBondContact O-CB 3.34Å; D847-S850 PolarHBondContact O-N 3.26Å; S850-G852 PolarHBondContact O-N 2.98Å; S850-V853 WeakPolarHBondContact O-CA 3.49Å; S850-V853 WeakPolarHBondContact O-CB 3.29Å; S850-V853 PolarHBondContact O-N 3.32Å; S850-V854 PolarHBondContact O-N 2.9Å |
| 851 | Y | 98.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.3 | -38.8 | 174 | -179.5 | -94.7 | 0 | 0 | 0 | 112.5 | L768 V771 A772 L788 D847 V848 W849 V853 V854 M855 F912 I915 L919 | L768-Y851 PolarHBondContact O-OH 2.86Å; V771-Y851 HydrophobicContact CB-CE2 3.98Å; V771-Y851 HydrophobicContact CG1-CD2 3.89Å; V771-Y851 HydrophobicContact CG1-CE2 3.77Å; A772-Y851 HydrophobicContact CB-CE2 3.94Å; L788-Y851 HydrophobicContact CD2-CD2 4.27Å; D847-Y851 WeakPolarHBondContact O-CB 3.35Å; D847-Y851 PolarHBondContact O-N 2.99Å; V848-Y851 WeakPolarHBondContact O-CB 3.46Å; V848-Y851 PolarHBondContact O-N 3.38Å; W849-Y851 VanDerWaalsContact C-N 3.27Å; W849-Y851 PolarHBondContact O-N 3.33Å; Y851-V853 PolarHBondContact O-N 3.41Å; Y851-V854 CarbonylContact O-C 3.59Å; Y851-V854 WeakPolarHBondContact O-CA 3.43Å; Y851-V854 WeakPolarHBondContact O-CB 3.4Å; Y851-V854 PolarHBondContact O-N 2.72Å; Y851-V854 VanDerWaalsContact O-N 3.08Å; Y851-M855 HydrophobicContact CD1-CG 3.93Å; Y851-M855 HydrophobicContact CD1-SD 3.97Å; Y851-M855 HydrophobicContact CE1-CG 3.44Å; Y851-M855 VanDerWaalsContact CE1-CG 3.44Å; Y851-M855 HydrophobicContact CE1-SD 3.46Å; Y851-M855 WeakPolarHBondContact CE1-SD 3.41Å; Y851-M855 WeakPolarHBondContact O-CG 3.4Å; Y851-M855 PolarHBondContact O-N 3.31Å; Y851-F912 HydrophobicContact CD1-CE1 4.38Å; Y851-F912 HydrophobicContact CD2-CE1 4.05Å; Y851-F912 AromaticContact CG-CE1 3.76Å; Y851-F912 HydrophobicContact CG-CE1 3.76Å; Y851-I915 HydrophobicContact CD1-CD1 4.06Å; Y851-I915 HydrophobicContact CD1-CG2 4.22Å; Y851-I915 HydrophobicContact CE1-CD1 4.38Å; Y851-I915 HydrophobicContact CE1-CG2 3.49Å; Y851-I915 VanDerWaalsContact CE1-CG2 3.49Å; Y851-L919 VanDerWaalsContact OH-CD1 3.3Å; Y851-L919 WeakPolarHBondContact OH-CD1 3.35Å |
| 852 | G | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -57.8 | -36.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V848 W849 S850 M855 W856 W902 | V848-G852 PolarHBondContact O-N 2.96Å; W849-G852 WeakPolarHBondContact O-CA 3.32Å; W849-G852 PolarHBondContact O-N 3Å; W849-G852 VanDerWaalsContact O-N 3.08Å; S850-G852 PolarHBondContact O-N 2.98Å; G852-M855 WeakPolarHBondContact O-CB 3.38Å; G852-M855 PolarHBondContact O-N 3.16Å; G852-W856 PolarHBondContact O-N 3.43Å; G852-W856 VanDerWaalsContact O-N 3.11Å; G852-W902 VanDerWaalsContact C-CZ2 3.42Å; G852-W902 WeakPolarHBondContact O-CZ2 3.45Å |
| 853 | V | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -70.1 | -38.9 | 172.7 | -173.1 | 0 | 0 | 0 | 0 | 111.6 | W831 W849 S850 Y851 M855 W856 E857 P865 L884 W902 | W831-V853 VanDerWaalsContact CD1-CG1 3.47Å; W831-V853 HydrophobicContact CG-CB 4.47Å; W831-V853 HydrophobicContact CG-CG1 4.12Å; W849-V853 PolarHBondContact O-N 3.28Å; S850-V853 WeakPolarHBondContact O-CA 3.49Å; S850-V853 WeakPolarHBondContact O-CB 3.29Å; S850-V853 PolarHBondContact O-N 3.32Å; Y851-V853 PolarHBondContact O-N 3.41Å; V853-M855 VanDerWaalsContact C-N 3.34Å; V853-M855 PolarHBondContact O-N 3.09Å; V853-W856 WeakPolarHBondContact O-CB 3.16Å; V853-W856 PolarHBondContact O-N 3.22Å; V853-W856 VanDerWaalsContact O-N 3.14Å; V853-E857 WeakPolarHBondContact O-CG 3.35Å; V853-E857 PolarHBondContact O-N 3.44Å; V853-P865 HydrophobicContact CG1-CB 3.74Å; V853-P865 HydrophobicContact CG1-CG 3.6Å; V853-L884 HydrophobicContact CG1-CD1 4.49Å; V853-W902 HydrophobicContact CG2-CZ2 4.22Å |
| 854 | V | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.1 | -39.3 | 171.9 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | L768 L788 S850 Y851 W856 E857 V858 | L768-V854 HydrophobicContact CD2-CG1 4.47Å; L788-V854 HydrophobicContact CG-CG2 4.23Å; S850-V854 PolarHBondContact O-N 2.9Å; Y851-V854 CarbonylContact O-C 3.59Å; Y851-V854 WeakPolarHBondContact O-CA 3.43Å; Y851-V854 WeakPolarHBondContact O-CB 3.4Å; Y851-V854 PolarHBondContact O-N 2.72Å; Y851-V854 VanDerWaalsContact O-N 3.08Å; V854-W856 VanDerWaalsContact C-N 3.29Å; V854-W856 PolarHBondContact O-N 2.94Å; V854-E857 PolarHBondContact O-N 2.87Å; V854-V858 HydrophobicContact CG1-CG2 4.32Å; V854-V858 WeakPolarHBondContact O-CG2 3.32Å; V854-V858 PolarHBondContact O-N 3.44Å |
| 855 | M | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.2 | -44.5 | 172 | -71.1 | -177.3 | 68.9 | 0 | 0 | 111.5 | L768 Y851 G852 V853 M859 L894 L897 M898 | L768-M855 HydrophobicContact CD1-CB 4.34Å; L768-M855 HydrophobicContact CD1-CG 4.17Å; L768-M855 HydrophobicContact CD2-CB 4.32Å; L768-M855 HydrophobicContact CD2-CG 3.99Å; Y851-M855 HydrophobicContact CD1-CG 3.93Å; Y851-M855 HydrophobicContact CD1-SD 3.97Å; Y851-M855 HydrophobicContact CE1-CG 3.44Å; Y851-M855 VanDerWaalsContact CE1-CG 3.44Å; Y851-M855 HydrophobicContact CE1-SD 3.46Å; Y851-M855 WeakPolarHBondContact CE1-SD 3.41Å; Y851-M855 WeakPolarHBondContact O-CG 3.4Å; Y851-M855 PolarHBondContact O-N 3.31Å; G852-M855 WeakPolarHBondContact O-CB 3.38Å; G852-M855 PolarHBondContact O-N 3.16Å; V853-M855 VanDerWaalsContact C-N 3.34Å; V853-M855 PolarHBondContact O-N 3.09Å; M855-M859 WeakPolarHBondContact O-CB 3.47Å; M855-M859 VanDerWaalsContact O-CG 3.32Å; M855-M859 WeakPolarHBondContact O-CG 3.5Å; M855-M859 PolarHBondContact O-N 2.87Å; M855-M859 VanDerWaalsContact O-N 3.08Å; M855-L894 HydrophobicContact CE-CD2 4.41Å; M855-L894 WeakPolarHBondContact CE-O 3.36Å; M855-L897 HydrophobicContact CE-CB 4.04Å; M855-L897 HydrophobicContact CE-CD2 3.82Å; M855-L897 HydrophobicContact CE-CG 3.9Å; M855-L897 HydrophobicContact SD-CD2 4.33Å; M855-L897 HydrophobicContact SD-CG 4.15Å; M855-M898 HydrophobicContact CB-CE 4.02Å; M855-M898 HydrophobicContact CB-CG 3.74Å; M855-M898 HydrophobicContact CB-SD 4.44Å; M855-M898 HydrophobicContact CE-CG 3.94Å; M855-M898 HydrophobicContact SD-CG 4.16Å |
| 856 | W | 97.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 14.6 Ų | 14.6 | 2% | 0.015 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.9 | -49.3 | 175.4 | -169.6 | 90.7 | 0 | 0 | 0 | 111.5 | G852 V853 V854 V858 M859 S860 E863 P865 W867 L884 P885 P887 M898 W902 | G852-W856 PolarHBondContact O-N 3.43Å; G852-W856 VanDerWaalsContact O-N 3.11Å; V853-W856 WeakPolarHBondContact O-CB 3.16Å; V853-W856 PolarHBondContact O-N 3.22Å; V853-W856 VanDerWaalsContact O-N 3.14Å; V854-W856 VanDerWaalsContact C-N 3.29Å; V854-W856 PolarHBondContact O-N 2.94Å; W856-V858 VanDerWaalsContact C-N 3.32Å; W856-V858 PolarHBondContact O-N 2.81Å; W856-M859 PolarHBondContact O-N 2.94Å; W856-S860 WeakPolarHBondContact CZ3-OG 3.3Å; W856-S860 WeakPolarHBondContact O-CB 3.47Å; W856-S860 PolarHBondContact O-N 3.04Å; W856-S860 PolarHBondContact O-OG 3.42Å; W856-E863 HydrophobicContact CH2-CB 3.91Å; W856-E863 HydrophobicContact CZ3-CB 3.97Å; W856-P865 HydrophobicContact CE3-CG 4.38Å; W856-P865 HydrophobicContact CZ3-CG 4.45Å; W856-W867 HydrophobicContact CH2-CZ2 4.09Å; W856-W867 HydrophobicContact CZ2-CH2 4.26Å; W856-W867 AromaticContact CZ2-CZ2 3.69Å; W856-W867 HydrophobicContact CZ2-CZ2 3.69Å; W856-L884 HydrophobicContact CB-CD1 4.28Å; W856-L884 HydrophobicContact CD2-CB 4.36Å; W856-L884 HydrophobicContact CD2-CD1 3.84Å; W856-L884 HydrophobicContact CE3-CD1 4.18Å; W856-L884 HydrophobicContact CG-CB 4.11Å; W856-L884 HydrophobicContact CG-CD1 3.86Å; W856-P885 PolarHBondContact NE1-O 2.79Å; W856-P887 HydrophobicContact CD2-CG 4.44Å; W856-P887 HydrophobicContact CG-CG 4.18Å; W856-M898 HydrophobicContact CB-SD 4.22Å; W856-W902 HydrophobicContact CB-CH2 4.07Å; W856-W902 HydrophobicContact CB-CZ2 4.2Å; W856-W902 HydrophobicContact CG-CH2 4.38Å |
| 857 | E | 97.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.033 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -55.7 | -42.6 | 177.1 | -71.7 | -178.2 | 114.9 | 0 | 0 | 112.4 | A790 W831 V853 V854 S860 Y861 G862 P865 | A790-E857 HydrophobicContact CB-CB 3.94Å; A790-E857 HydrophobicContact CB-CG 4.39Å; A790-E857 WeakPolarHBondContact CB-OE2 3.13Å; A790-E857 PolarHBondContact N-OE2 2.81Å; W831-E857 WeakPolarHBondContact CZ2-OE1 3.45Å; W831-E857 PolarHBondContact NE1-OE1 3.44Å; W831-E857 PolarHBondContact NE1-OE2 2.87Å; V853-E857 WeakPolarHBondContact O-CG 3.35Å; V853-E857 PolarHBondContact O-N 3.44Å; V854-E857 PolarHBondContact O-N 2.87Å; E857-S860 WeakPolarHBondContact CA-OG 3.31Å; E857-S860 CarbonylContact O-C 3.48Å; E857-S860 PolarHBondContact O-N 2.76Å; E857-S860 PolarHBondContact O-OG 2.85Å; E857-Y861 PolarHBondContact O-N 2.89Å; E857-Y861 VanDerWaalsContact O-N 3.17Å; E857-G862 PolarHBondContact O-N 2.83Å; E857-P865 HydrophobicContact CG-CG 3.63Å |
| 858 | V | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.7 | -44.3 | 178.4 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | L748 L752 L764 L768 V854 W856 S860 Y861 | L748-V858 HydrophobicContact CD2-CG2 3.81Å; L748-V858 HydrophobicContact CG-CG2 4.46Å; L752-V858 HydrophobicContact CD1-CB 4.32Å; L752-V858 HydrophobicContact CD1-CG2 4.06Å; L764-V858 HydrophobicContact CB-CG1 4.02Å; L764-V858 HydrophobicContact CD2-CG1 3.9Å; L764-V858 HydrophobicContact CG-CG1 4.46Å; L768-V858 HydrophobicContact CD1-CB 4.39Å; L768-V858 HydrophobicContact CD1-CG1 4.33Å; L768-V858 HydrophobicContact CD2-CB 3.79Å; L768-V858 HydrophobicContact CD2-CG1 4.21Å; L768-V858 HydrophobicContact CD2-CG2 3.6Å; L768-V858 HydrophobicContact CG-CB 4.1Å; L768-V858 HydrophobicContact CG-CG1 3.99Å; L768-V858 HydrophobicContact CG-CG2 4.28Å; V854-V858 HydrophobicContact CG1-CG2 4.32Å; V854-V858 WeakPolarHBondContact O-CG2 3.32Å; V854-V858 PolarHBondContact O-N 3.44Å; W856-V858 VanDerWaalsContact C-N 3.32Å; W856-V858 PolarHBondContact O-N 2.81Å; V858-S860 PolarHBondContact O-N 2.82Å; V858-Y861 PolarHBondContact O-N 2.88Å |
| 859 | M | 93.5 | Very high | 91.7 | Very high | 9 Ų | 9 | 27.9 Ų | 27.9 | 4% | 0.044 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -73.7 | -15.2 | 179.7 | -65.9 | -56 | -59.2 | 0 | 0 | 113.3 | L764 M855 W856 P887 C890 L894 M898 | L764-M859 HydrophobicContact CB-SD 4.02Å; L764-M859 HydrophobicContact CD1-CE 4.33Å; L764-M859 HydrophobicContact CD1-SD 3.94Å; M855-M859 WeakPolarHBondContact O-CB 3.47Å; M855-M859 VanDerWaalsContact O-CG 3.32Å; M855-M859 WeakPolarHBondContact O-CG 3.5Å; M855-M859 PolarHBondContact O-N 2.87Å; M855-M859 VanDerWaalsContact O-N 3.08Å; W856-M859 PolarHBondContact O-N 2.94Å; M859-P887 HydrophobicContact CB-CB 4.15Å; M859-P887 HydrophobicContact CB-CG 3.89Å; M859-P887 WeakPolarHBondContact O-CB 3.25Å; M859-C890 HydrophobicContact CE-CB 4.12Å; M859-L894 HydrophobicContact CE-CD1 4.02Å; M859-L894 HydrophobicContact SD-CD1 3.81Å; M859-M898 HydrophobicContact CB-CE 4.04Å; M859-M898 HydrophobicContact CG-CE 3.72Å |
| 860 | S | 90.6 | Very high | 90.8 | Very high | 15 Ų | 15 | 31 Ų | 31 | 11% | 0.105 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 18.8 | 172.6 | 70.7 | 0 | 0 | 0 | 0 | 113.5 | W856 E857 V858 G862 E863 | W856-S860 WeakPolarHBondContact CZ3-OG 3.3Å; W856-S860 WeakPolarHBondContact O-CB 3.47Å; W856-S860 PolarHBondContact O-N 3.04Å; W856-S860 PolarHBondContact O-OG 3.42Å; E857-S860 WeakPolarHBondContact CA-OG 3.31Å; E857-S860 CarbonylContact O-C 3.48Å; E857-S860 PolarHBondContact O-N 2.76Å; E857-S860 PolarHBondContact O-OG 2.85Å; V858-S860 PolarHBondContact O-N 2.82Å; S860-G862 PolarHBondContact O-N 3.35Å; S860-G862 VanDerWaalsContact O-N 3.09Å; S860-E863 PolarHBondContact O-N 2.85Å; S860-E863 VanDerWaalsContact O-N 3.08Å |
| 861 | Y | 91.1 | Very high | 89.9 | Confident | 33 Ų | 33 | 34.4 Ų | 34.4 | 13% | 0.129 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 34.1 | 177.8 | -71.8 | -96.6 | 0 | 0 | 0 | 115.3 | L752 R753 H755 D756 G757 F759 L764 E857 V858 | L752-Y861 CarbonylContact C-O 3.59Å; L752-Y861 HydrophobicContact CD2-CD1 4.26Å; R753-Y861 WeakPolarHBondContact CA-O 3.44Å; R753-Y861 WeakPolarHBondContact CG-O 3.34Å; R753-Y861 PolarHBondContact N-O 2.79Å; H755-Y861 WeakPolarHBondContact O-CE1 3.2Å; D756-Y861 WeakPolarHBondContact OD1-CB 3.35Å; G757-Y861 VanDerWaalsContact N-CE1 3.25Å; F759-Y861 HydrophobicContact CB-CE1 4.27Å; F759-Y861 AromaticContact CD2-CE1 3.86Å; F759-Y861 HydrophobicContact CD2-CE1 3.86Å; F759-Y861 PolarHBondContact N-OH 2.88Å; F759-Y861 PolarHBondContact O-OH 2.95Å; L764-Y861 HydrophobicContact CD1-CE2 4.1Å; L764-Y861 HydrophobicContact CD2-CE1 4.48Å; E857-Y861 PolarHBondContact O-N 2.89Å; E857-Y861 VanDerWaalsContact O-N 3.17Å; V858-Y861 PolarHBondContact O-N 2.88Å |
| 862 | G | 87.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 22.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R753 E857 S860 | R753-G862 WeakPolarHBondContact CD-O 3.43Å; R753-G862 PolarHBondContact NH1-O 3.01Å; E857-G862 PolarHBondContact O-N 2.83Å; S860-G862 PolarHBondContact O-N 3.35Å; S860-G862 VanDerWaalsContact O-N 3.09Å |
| 863 | E | 87.6 | Confident | 87.7 | Confident | 88 Ų | 88 | 41.6 Ų | 41.6 | 41% | 0.411 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -53.4 | 151 | 161.7 | -81 | -166.7 | -164.2 | 0 | 0 | 111.8 | W856 S860 P865 W867 | W856-E863 HydrophobicContact CH2-CB 3.91Å; W856-E863 HydrophobicContact CZ3-CB 3.97Å; S860-E863 PolarHBondContact O-N 2.85Å; S860-E863 VanDerWaalsContact O-N 3.08Å; E863-P865 WeakPolarHBondContact O-CD 3.33Å; E863-W867 PolarHBondContact OE2-NE1 2.86Å |
| 864 | R | 85.6 | Confident | 86.7 | Confident | 136 Ų | 136 | 41.7 Ų | 41.7 | 51% | 0.513 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -71.8 | 120.8 | 178.6 | 174.2 | 174.7 | 167.4 | 162 | -1.6 | 110.8 | Y866 W867 | R864-Y866 PolarHBondContact O-N 2.88Å; R864-W867 WeakPolarHBondContact CD-O 3.38Å; R864-W867 PolarHBondContact NE-O 2.78Å; R864-W867 WeakPolarHBondContact O-CA 3.26Å; R864-W867 PolarHBondContact O-N 2.68Å |
| 865 | P | 91.6 | Very high | 85.8 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 134 | 176.2 | -28.7 | 37.5 | 0 | 0 | 0 | 112.4 | R830 W831 V853 W856 E857 E863 W867 L884 | R830-P865 HydrophobicContact CB-CB 4.3Å; R830-P865 WeakPolarHBondContact CD-O 3.39Å; R830-P865 PolarHBondContact NH1-O 3.01Å; W831-P865 HydrophobicContact CZ2-CG 3.85Å; V853-P865 HydrophobicContact CG1-CB 3.74Å; V853-P865 HydrophobicContact CG1-CG 3.6Å; W856-P865 HydrophobicContact CE3-CG 4.38Å; W856-P865 HydrophobicContact CZ3-CG 4.45Å; E857-P865 HydrophobicContact CG-CG 3.63Å; E863-P865 WeakPolarHBondContact O-CD 3.33Å; P865-W867 PolarHBondContact O-N 2.85Å; P865-W867 VanDerWaalsContact O-N 3.13Å; P865-L884 HydrophobicContact CB-CD1 4.26Å |
| 866 | Y | 84.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 16.6 | -174.8 | -53.6 | -90.8 | 0 | 0 | 0 | 114.5 | R830 R864 N868 L869 V874 V878 Y882 L884 | R830-Y866 HydrophobicContact CB-CD2 4.22Å; R830-Y866 HydrophobicContact CG-CD2 4.43Å; R830-Y866 WeakPolarHBondContact O-CE2 3.27Å; R864-Y866 PolarHBondContact O-N 2.88Å; Y866-N868 PolarHBondContact O-N 2.89Å; Y866-L869 WeakPolarHBondContact O-CB 2.98Å; Y866-L869 WeakPolarHBondContact O-CG 3.39Å; Y866-L869 PolarHBondContact O-N 2.63Å; Y866-L869 VanDerWaalsContact O-N 3.13Å; Y866-V874 VanDerWaalsContact CB-CG2 3.47Å; Y866-V874 HydrophobicContact CD1-CG1 4.1Å; Y866-V874 HydrophobicContact CD1-CG2 4.28Å; Y866-V874 HydrophobicContact CD2-CG1 3.7Å; Y866-V874 HydrophobicContact CD2-CG2 4.2Å; Y866-V874 HydrophobicContact CE1-CG1 4.26Å; Y866-V874 HydrophobicContact CE2-CG1 3.88Å; Y866-V874 HydrophobicContact CG-CB 4.42Å; Y866-V874 HydrophobicContact CG-CG1 3.83Å; Y866-V874 HydrophobicContact CG-CG2 3.74Å; Y866-V878 HydrophobicContact CE1-CG2 3.88Å; Y866-V878 WeakPolarHBondContact OH-CG2 3.32Å; Y866-Y882 HydrophobicContact CD1-CD1 4.24Å; Y866-Y882 AromaticContact CD1-CE1 3.97Å; Y866-Y882 HydrophobicContact CD1-CE1 3.97Å; Y866-Y882 AromaticContact CE1-CD1 3.97Å; Y866-Y882 HydrophobicContact CE1-CD1 3.97Å; Y866-Y882 HydrophobicContact CE1-CE1 4.02Å; Y866-L884 HydrophobicContact CD1-CD2 3.62Å; Y866-L884 HydrophobicContact CD1-CG 4.2Å; Y866-L884 HydrophobicContact CD2-CD1 4.29Å; Y866-L884 HydrophobicContact CD2-CD2 4.07Å; Y866-L884 HydrophobicContact CD2-CG 4.4Å; Y866-L884 HydrophobicContact CE1-CD2 3.8Å; Y866-L884 HydrophobicContact CE1-CG 3.85Å; Y866-L884 HydrophobicContact CE2-CD1 3.91Å; Y866-L884 HydrophobicContact CE2-CD2 4.23Å; Y866-L884 HydrophobicContact CE2-CG 4.07Å; Y866-L884 HydrophobicContact CG-CD2 3.75Å; Y866-L884 HydrophobicContact CG-CG 4.45Å |
| 867 | W | 87.9 | Confident | 83.8 | Confident | 95 Ų | 95 | 51.4 Ų | 51.4 | 36% | 0.36 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45 | -122.8 | 177.4 | -51.1 | -80.2 | 0 | 0 | 0 | 112.9 | R830 W856 E863 R864 P865 P885 | R830-W867 PolarHBondContact NH1-O 3.02Å; W856-W867 HydrophobicContact CH2-CZ2 4.09Å; W856-W867 HydrophobicContact CZ2-CH2 4.26Å; W856-W867 AromaticContact CZ2-CZ2 3.69Å; W856-W867 HydrophobicContact CZ2-CZ2 3.69Å; E863-W867 PolarHBondContact OE2-NE1 2.86Å; R864-W867 WeakPolarHBondContact CD-O 3.38Å; R864-W867 PolarHBondContact NE-O 2.78Å; R864-W867 WeakPolarHBondContact O-CA 3.26Å; R864-W867 PolarHBondContact O-N 2.68Å; P865-W867 PolarHBondContact O-N 2.85Å; P865-W867 VanDerWaalsContact O-N 3.13Å; W867-P885 HydrophobicContact CH2-CG 3.79Å |
| 868 | N | 77.6 | Confident | 83.2 | Confident | 127 Ų | 127 | 51.4 Ų | 51.4 | 68% | 0.679 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 2.9 | -173.9 | -63 | -5 | 0 | 0 | 0 | 113.9 | Y866 T870 | Y866-N868 PolarHBondContact O-N 2.89Å; N868-T870 PolarHBondContact O-N 3.37Å |
| 869 | L | 70.9 | Confident | 82.5 | Confident | 62 Ų | 62 | 55.8 Ų | 55.8 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | trans | -55.6 | 137 | 169.4 | -67.6 | -174.5 | 0 | 0 | 0 | 109 | R830 Y866 D873 V874 | R830-L869 PolarHBondContact NH1-O 2.94Å; R830-L869 PolarHBondContact NH2-O 2.73Å; Y866-L869 WeakPolarHBondContact O-CB 2.98Å; Y866-L869 WeakPolarHBondContact O-CG 3.39Å; Y866-L869 PolarHBondContact O-N 2.63Å; Y866-L869 VanDerWaalsContact O-N 3.13Å; L869-D873 HydrophobicContact CB-CB 4.28Å; L869-D873 HydrophobicContact CD2-CB 4.38Å; L869-V874 HydrophobicContact CB-CG2 3.8Å; L869-V874 HydrophobicContact CD1-CG2 4.49Å | ||
| 870 | T | 77.9 | Confident | 81.9 | Confident | 66 Ų | 66 | 61.8 Ų | 61.8 | 41% | 0.405 | 29% | 0.293 | S | S | . | . | trans | -68.5 | 158.2 | 174.4 | 73.3 | 0 | 0 | 0 | 0 | 109.4 | N868 R872 D873 V874 | N868-T870 PolarHBondContact O-N 3.37Å; T870-R872 PolarHBondContact O-N 2.93Å; T870-R872 VanDerWaalsContact O-N 3.08Å; T870-R872 WeakPolarHBondContact OG1-CB 3.06Å; T870-D873 VanDerWaalsContact CB-OD2 3.29Å; T870-D873 WeakPolarHBondContact CB-OD2 3.28Å; T870-D873 WeakPolarHBondContact CG2-OD2 3.44Å; T870-D873 PolarHBondContact N-OD2 2.94Å; T870-D873 PolarHBondContact O-N 3.4Å; T870-D873 PolarHBondContact OG1-N 3.17Å; T870-D873 PolarHBondContact OG1-OD1 3.41Å; T870-D873 PolarHBondContact OG1-OD2 2.72Å; T870-V874 WeakPolarHBondContact O-CG2 3.46Å; T870-V874 PolarHBondContact O-N 3.01Å | ||
| 871 | N | 79.8 | Confident | 81.4 | Confident | 76 Ų | 76 | 63.2 Ų | 63.2 | 41% | 0.406 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -55.9 | -32.3 | 180 | -69 | 0.7 | 0 | 0 | 0 | 111.8 | I829 R830 V874 I875 | I829-N871 HydrophobicContact CB-CB 4.12Å; I829-N871 HydrophobicContact CG1-CB 4.26Å; I829-N871 HydrophobicContact CG2-CB 4.01Å; I829-N871 WeakPolarHBondContact CG2-O 3.25Å; R830-N871 PolarHBondContact NE-OD1 2.96Å; R830-N871 PolarHBondContact NH2-OD1 3.35Å; N871-V874 WeakPolarHBondContact O-CB 3.46Å; N871-V874 PolarHBondContact O-N 3.2Å; N871-I875 VanDerWaalsContact O-CG1 3.3Å; N871-I875 WeakPolarHBondContact O-CG1 3.17Å; N871-I875 PolarHBondContact O-N 3.11Å; N871-I875 VanDerWaalsContact O-N 3.07Å |
| 872 | R | 76.3 | Confident | 80.9 | Confident | 101 Ų | 101 | 66 Ų | 66 | 38% | 0.381 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 174.1 | -168.7 | -174.3 | 88.7 | 158.3 | 2.2 | 112.8 | V253 T870 V874 I875 K876 | V253-R872 HydrophobicContact CG2-CG 3.44Å; V253-R872 VanDerWaalsContact CG2-CG 3.44Å; T870-R872 PolarHBondContact O-N 2.93Å; T870-R872 VanDerWaalsContact O-N 3.08Å; T870-R872 WeakPolarHBondContact OG1-CB 3.06Å; R872-V874 VanDerWaalsContact C-N 3.33Å; R872-I875 PolarHBondContact O-N 3.18Å; R872-K876 PolarHBondContact O-N 3.45Å; R872-K876 VanDerWaalsContact O-N 3.16Å |
| 873 | D | 75.2 | Confident | 81 | Confident | 51 Ų | 51 | 68 Ų | 68 | 27% | 0.273 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -73 | -29.4 | 178.4 | -44.9 | -42.5 | 0 | 0 | 0 | 111.5 | L869 T870 S877 | L869-D873 HydrophobicContact CB-CB 4.28Å; L869-D873 HydrophobicContact CD2-CB 4.38Å; T870-D873 VanDerWaalsContact CB-OD2 3.29Å; T870-D873 WeakPolarHBondContact CB-OD2 3.28Å; T870-D873 WeakPolarHBondContact CG2-OD2 3.44Å; T870-D873 PolarHBondContact N-OD2 2.94Å; T870-D873 PolarHBondContact O-N 3.4Å; T870-D873 PolarHBondContact OG1-N 3.17Å; T870-D873 PolarHBondContact OG1-OD1 3.41Å; T870-D873 PolarHBondContact OG1-OD2 2.72Å; D873-S877 WeakPolarHBondContact O-CB 3.48Å; D873-S877 PolarHBondContact O-N 3.36Å; D873-S877 PolarHBondContact O-OG 3.18Å |
| 874 | V | 75.7 | Confident | 80.9 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -49.4 | 171.1 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | R830 Y866 L869 T870 N871 R872 K876 S877 V878 | R830-V874 HydrophobicContact CG-CG2 4.47Å; Y866-V874 VanDerWaalsContact CB-CG2 3.47Å; Y866-V874 HydrophobicContact CD1-CG1 4.1Å; Y866-V874 HydrophobicContact CD1-CG2 4.28Å; Y866-V874 HydrophobicContact CD2-CG1 3.7Å; Y866-V874 HydrophobicContact CD2-CG2 4.2Å; Y866-V874 HydrophobicContact CE1-CG1 4.26Å; Y866-V874 HydrophobicContact CE2-CG1 3.88Å; Y866-V874 HydrophobicContact CG-CB 4.42Å; Y866-V874 HydrophobicContact CG-CG1 3.83Å; Y866-V874 HydrophobicContact CG-CG2 3.74Å; L869-V874 HydrophobicContact CB-CG2 3.8Å; L869-V874 HydrophobicContact CD1-CG2 4.49Å; T870-V874 WeakPolarHBondContact O-CG2 3.46Å; T870-V874 PolarHBondContact O-N 3.01Å; N871-V874 WeakPolarHBondContact O-CB 3.46Å; N871-V874 PolarHBondContact O-N 3.2Å; R872-V874 VanDerWaalsContact C-N 3.33Å; V874-K876 VanDerWaalsContact C-N 3.35Å; V874-K876 PolarHBondContact O-N 3.15Å; V874-S877 PolarHBondContact O-N 2.75Å; V874-V878 HydrophobicContact CG1-CG2 4.2Å; V874-V878 VanDerWaalsContact O-CB 3.3Å; V874-V878 WeakPolarHBondContact O-CB 3.36Å; V874-V878 VanDerWaalsContact O-CG2 3.27Å; V874-V878 WeakPolarHBondContact O-CG2 3.32Å; V874-V878 PolarHBondContact O-N 3.16Å |
| 875 | I | 79.6 | Confident | 80.7 | Confident | 66 Ų | 66 | 60.3 Ų | 60.3 | 34% | 0.338 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -54.8 | -52.1 | 176.2 | -65.7 | 163.4 | 0 | 0 | 0 | 110.2 | I829 I837 N871 R872 S877 V878 E879 | I829-I875 HydrophobicContact CD1-CD1 4.26Å; I829-I875 HydrophobicContact CG2-CD1 3.9Å; I829-I875 HydrophobicContact CG2-CG1 3.55Å; I837-I875 HydrophobicContact CD1-CG1 4.35Å; I837-I875 HydrophobicContact CG2-CD1 4.13Å; I837-I875 HydrophobicContact CG2-CG1 3.99Å; I837-I875 HydrophobicContact CG2-CG2 4.14Å; N871-I875 VanDerWaalsContact O-CG1 3.3Å; N871-I875 WeakPolarHBondContact O-CG1 3.17Å; N871-I875 PolarHBondContact O-N 3.11Å; N871-I875 VanDerWaalsContact O-N 3.07Å; R872-I875 PolarHBondContact O-N 3.18Å; I875-S877 PolarHBondContact O-N 2.67Å; I875-V878 PolarHBondContact O-N 3.07Å; I875-E879 WeakPolarHBondContact O-CB 3.31Å; I875-E879 PolarHBondContact O-N 2.98Å |
| 876 | K | 78.1 | Confident | 80.1 | Confident | 116 Ų | 116 | 62.5 Ų | 62.5 | 50% | 0.504 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.1 | -52.3 | 179.3 | 180 | 177.2 | 172.9 | 178 | 0 | 111.6 | R872 V874 V878 E879 E880 | R872-K876 PolarHBondContact O-N 3.45Å; R872-K876 VanDerWaalsContact O-N 3.16Å; V874-K876 VanDerWaalsContact C-N 3.35Å; V874-K876 PolarHBondContact O-N 3.15Å; K876-V878 VanDerWaalsContact C-N 3.34Å; K876-V878 PolarHBondContact O-N 3.27Å; K876-E879 PolarHBondContact O-N 2.62Å; K876-E880 WeakPolarHBondContact CE-OE1 3.45Å; K876-E880 WeakPolarHBondContact CE-OE2 3.4Å; K876-E880 HydrophobicContact CG-CG 4.48Å; K876-E880 IonicContact NZ-OE1 2.63Å; K876-E880 WeakPolarHBondContact O-CB 3.46Å; K876-E880 WeakPolarHBondContact O-CG 3.43Å; K876-E880 PolarHBondContact O-N 2.78Å |
| 877 | S | 75.6 | Confident | 80 | Confident | 25 Ų | 25 | 63.1 Ų | 63.1 | 18% | 0.175 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | -177.4 | -59.8 | 0 | 0 | 0 | 0 | 111.4 | D873 V874 I875 E879 E880 G881 Y882 | D873-S877 WeakPolarHBondContact O-CB 3.48Å; D873-S877 PolarHBondContact O-N 3.36Å; D873-S877 PolarHBondContact O-OG 3.18Å; V874-S877 PolarHBondContact O-N 2.75Å; I875-S877 PolarHBondContact O-N 2.67Å; S877-E879 PolarHBondContact O-N 3.03Å; S877-E880 CarbonylContact O-C 3.55Å; S877-E880 PolarHBondContact O-N 2.83Å; S877-G881 PolarHBondContact O-N 3.13Å; S877-Y882 WeakPolarHBondContact O-CA 3.48Å; S877-Y882 WeakPolarHBondContact O-CB 3.47Å; S877-Y882 PolarHBondContact O-N 2.73Å |
| 878 | V | 84.1 | Confident | 79.1 | Confident | 7 Ų | 7 | 64.7 Ų | 64.7 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 179.7 | 163.5 | 0 | 0 | 0 | 0 | 111.9 | P834 W849 Y866 V874 I875 K876 G881 R883 | P834-V878 HydrophobicContact CG-CG1 3.77Å; W849-V878 HydrophobicContact CH2-CG1 3.71Å; W849-V878 HydrophobicContact CZ2-CG1 3.53Å; W849-V878 HydrophobicContact CZ2-CG2 4.43Å; Y866-V878 HydrophobicContact CE1-CG2 3.88Å; Y866-V878 WeakPolarHBondContact OH-CG2 3.32Å; V874-V878 HydrophobicContact CG1-CG2 4.2Å; V874-V878 VanDerWaalsContact O-CB 3.3Å; V874-V878 WeakPolarHBondContact O-CB 3.36Å; V874-V878 VanDerWaalsContact O-CG2 3.27Å; V874-V878 WeakPolarHBondContact O-CG2 3.32Å; V874-V878 PolarHBondContact O-N 3.16Å; I875-V878 PolarHBondContact O-N 3.07Å; K876-V878 VanDerWaalsContact C-N 3.34Å; K876-V878 PolarHBondContact O-N 3.27Å; V878-G881 PolarHBondContact O-N 3.45Å; V878-G881 VanDerWaalsContact O-N 3.15Å; V878-R883 PolarHBondContact O-NH1 2.95Å |
| 879 | E | 81.8 | Confident | 78.8 | Confident | 93 Ų | 93 | 61.8 Ų | 61.8 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 178.3 | -170.6 | 53.8 | -138.8 | 0 | 0 | 112.1 | I875 K876 S877 G881 K904 | I875-E879 WeakPolarHBondContact O-CB 3.31Å; I875-E879 PolarHBondContact O-N 2.98Å; K876-E879 PolarHBondContact O-N 2.62Å; S877-E879 PolarHBondContact O-N 3.03Å; E879-G881 PolarHBondContact O-N 2.87Å; E879-G881 VanDerWaalsContact O-N 3.15Å; E879-K904 PolarHBondContact O-NZ 2.91Å; E879-K904 VanDerWaalsContact OE1-CE 3.29Å; E879-K904 WeakPolarHBondContact OE1-CE 3.18Å; E879-K904 IonicContact OE1-NZ 3.08Å; E879-K904 PolarHBondContact OE1-NZ 2.96Å |
| 880 | E | 81.3 | Confident | 79.4 | Confident | 135 Ų | 135 | 59.8 Ų | 59.8 | 63% | 0.631 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 1.2 | 171 | -69.7 | 176.3 | 158.9 | 0 | 0 | 113.7 | K876 S877 | K876-E880 WeakPolarHBondContact CE-OE1 3.45Å; K876-E880 WeakPolarHBondContact CE-OE2 3.4Å; K876-E880 HydrophobicContact CG-CG 4.48Å; K876-E880 IonicContact NZ-OE1 2.63Å; K876-E880 WeakPolarHBondContact O-CB 3.46Å; K876-E880 WeakPolarHBondContact O-CG 3.43Å; K876-E880 PolarHBondContact O-N 2.78Å; S877-E880 CarbonylContact O-C 3.55Å; S877-E880 PolarHBondContact O-N 2.83Å |
| 881 | G | 79.3 | Confident | 79.8 | Confident | 44 Ų | 44 | 57.2 Ų | 57.2 | 45% | 0.454 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 4.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | S877 V878 E879 | S877-G881 PolarHBondContact O-N 3.13Å; V878-G881 PolarHBondContact O-N 3.45Å; V878-G881 VanDerWaalsContact O-N 3.15Å; E879-G881 PolarHBondContact O-N 2.87Å; E879-G881 VanDerWaalsContact O-N 3.15Å |
| 882 | Y | 82.4 | Confident | 79.9 | Confident | 93 Ų | 93 | 56.6 Ų | 56.6 | 37% | 0.365 | 32% | 0.319 | S | S | . | . | trans | -62.7 | 139 | 172.2 | -177.7 | -96.2 | 0 | 0 | 0 | 110.8 | Y866 S877 | Y866-Y882 HydrophobicContact CD1-CD1 4.24Å; Y866-Y882 AromaticContact CD1-CE1 3.97Å; Y866-Y882 HydrophobicContact CD1-CE1 3.97Å; Y866-Y882 AromaticContact CE1-CD1 3.97Å; Y866-Y882 HydrophobicContact CE1-CD1 3.97Å; Y866-Y882 HydrophobicContact CE1-CE1 4.02Å; S877-Y882 WeakPolarHBondContact O-CA 3.48Å; S877-Y882 WeakPolarHBondContact O-CB 3.47Å; S877-Y882 PolarHBondContact O-N 2.73Å | ||
| 883 | R | 88.7 | Confident | 80.4 | Confident | 41 Ų | 41 | 53.6 Ų | 53.6 | 16% | 0.155 | 32% | 0.316 | C | S | . | . | trans | -130.3 | 153.7 | 174.1 | -60.4 | -60.3 | 179.6 | -98.8 | 2.9 | 109.2 | W849 V878 L899 W902 | W849-R883 VanDerWaalsContact CH2-CZ 3.44Å; V878-R883 PolarHBondContact O-NH1 2.95Å; R883-L899 HydrophobicContact CB-CD2 4.09Å; R883-L899 HydrophobicContact CG-CD2 4.33Å; R883-W902 HydrophobicContact CB-CE3 4.03Å; R883-W902 HydrophobicContact CB-CZ3 4.42Å; R883-W902 HydrophobicContact CG-CB 4.48Å; R883-W902 HydrophobicContact CG-CE3 4.43Å; R883-W902 PolarHBondContact NE-O 3.46Å; R883-W902 PolarHBondContact NH2-O 2.93Å | ||
| 884 | L | 85.5 | Confident | 81.2 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 132.8 | 177.5 | -67.5 | 167.4 | 0 | 0 | 0 | 109.5 | V853 W856 P865 Y866 W902 | V853-L884 HydrophobicContact CG1-CD1 4.49Å; W856-L884 HydrophobicContact CB-CD1 4.28Å; W856-L884 HydrophobicContact CD2-CB 4.36Å; W856-L884 HydrophobicContact CD2-CD1 3.84Å; W856-L884 HydrophobicContact CE3-CD1 4.18Å; W856-L884 HydrophobicContact CG-CB 4.11Å; W856-L884 HydrophobicContact CG-CD1 3.86Å; P865-L884 HydrophobicContact CB-CD1 4.26Å; Y866-L884 HydrophobicContact CD1-CD2 3.62Å; Y866-L884 HydrophobicContact CD1-CG 4.2Å; Y866-L884 HydrophobicContact CD2-CD1 4.29Å; Y866-L884 HydrophobicContact CD2-CD2 4.07Å; Y866-L884 HydrophobicContact CD2-CG 4.4Å; Y866-L884 HydrophobicContact CE1-CD2 3.8Å; Y866-L884 HydrophobicContact CE1-CG 3.85Å; Y866-L884 HydrophobicContact CE2-CD1 3.91Å; Y866-L884 HydrophobicContact CE2-CD2 4.23Å; Y866-L884 HydrophobicContact CE2-CG 4.07Å; Y866-L884 HydrophobicContact CG-CD2 3.75Å; Y866-L884 HydrophobicContact CG-CG 4.45Å; L884-W902 HydrophobicContact CB-CH2 3.74Å; L884-W902 HydrophobicContact CB-CZ2 4.46Å; L884-W902 HydrophobicContact CB-CZ3 4.13Å; L884-W902 HydrophobicContact CD1-CH2 4.22Å; L884-W902 HydrophobicContact CD1-CZ2 4.17Å; L884-W902 HydrophobicContact CG-CH2 4.44Å |
| 885 | P | 81.5 | Confident | 82 | Confident | 62 Ų | 62 | 53 Ų | 53 | 40% | 0.403 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 155.6 | 178.3 | 32.1 | -35.7 | 0 | 0 | 0 | 111.1 | W856 W867 P887 | W856-P885 PolarHBondContact NE1-O 2.79Å; W867-P885 HydrophobicContact CH2-CG 3.79Å; P885-P887 WeakPolarHBondContact O-CD 3.46Å |
| 886 | A | 79.4 | Confident | 82.6 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 40% | 0.397 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -47.7 | 125.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | H895 | A886-H895 VanDerWaalsContact CA-CD2 3.4Å; A886-H895 WeakPolarHBondContact CA-CD2 3.43Å; A886-H895 HydrophobicContact CB-CB 4.12Å; A886-H895 PolarHBondContact N-CD2 3.31Å; A886-H895 PolarHBondContact N-NE2 2.93Å; A886-H895 VanDerWaalsContact N-NE2 3.14Å |
| 887 | P | 81.9 | Confident | 83.4 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 154.3 | 170 | -27.4 | 37.5 | 0 | 0 | 0 | 112.4 | W856 M859 P885 G889 C890 | W856-P887 HydrophobicContact CD2-CG 4.44Å; W856-P887 HydrophobicContact CG-CG 4.18Å; M859-P887 HydrophobicContact CB-CB 4.15Å; M859-P887 HydrophobicContact CB-CG 3.89Å; M859-P887 WeakPolarHBondContact O-CB 3.25Å; P885-P887 WeakPolarHBondContact O-CD 3.46Å; P887-G889 PolarHBondContact O-N 2.68Å; P887-C890 HydrophobicContact CB-CB 4.29Å; P887-C890 WeakPolarHBondContact O-CB 3.36Å; P887-C890 PolarHBondContact O-N 3.15Å |
| 888 | M | 69.3 | Low | 84.4 | Confident | 129 Ų | 129 | 47 Ų | 47 | 64% | 0.635 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 120.7 | -178.8 | -71.9 | -61.1 | -63.3 | 0 | 0 | 111.3 | C890 K1004 | M888-C890 VanDerWaalsContact C-N 3.34Å; M888-K1004 HydrophobicContact CE-CD 3.94Å; M888-K1004 HydrophobicContact CE-CG 4.32Å; M888-K1004 HydrophobicContact CG-CD 4.38Å |
| 889 | G | 70.6 | Confident | 84.9 | Confident | 66 Ų | 66 | 49.7 Ų | 49.7 | 68% | 0.68 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 9.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P887 P891 | P887-G889 PolarHBondContact O-N 2.68Å; G889-P891 WeakPolarHBondContact O-CD 3.18Å |
| 890 | C | 83.6 | Confident | 85.6 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 14% | 0.135 | 30% | 0.295 | C | S | . | . | trans | -70.1 | 124.2 | 171.7 | -176 | 0 | 0 | 0 | 0 | 110.9 | M859 P887 M888 | M859-C890 HydrophobicContact CE-CB 4.12Å; P887-C890 HydrophobicContact CB-CB 4.29Å; P887-C890 WeakPolarHBondContact O-CB 3.36Å; P887-C890 PolarHBondContact O-N 3.15Å; M888-C890 VanDerWaalsContact C-N 3.34Å | ||
| 891 | P | 87 | Confident | 86.4 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 7% | 0.071 | 27% | 0.265 | C | S | . | . | trans | -56.9 | 142.3 | 170.3 | -22.1 | 30.6 | 0 | 0 | 0 | 112 | V761 G889 A893 L894 H895 L929 | V761-P891 HydrophobicContact CG1-CG 3.5Å; G889-P891 WeakPolarHBondContact O-CD 3.18Å; P891-A893 VanDerWaalsContact C-N 3.28Å; P891-A893 PolarHBondContact O-N 2.86Å; P891-L894 HydrophobicContact CG-CD1 4.15Å; P891-L894 PolarHBondContact O-N 2.85Å; P891-H895 PolarHBondContact O-N 2.89Å; P891-L929 HydrophobicContact CB-CD2 4.08Å; P891-L929 HydrophobicContact CG-CB 4.26Å; P891-L929 HydrophobicContact CG-CD2 3.95Å | ||
| 892 | A | 81.7 | Confident | 87.2 | Confident | 63 Ų | 63 | 39.8 Ų | 39.8 | 52% | 0.521 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -54.8 | -43.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L894 H895 T896 | A892-L894 VanDerWaalsContact C-N 3.26Å; A892-L894 PolarHBondContact O-N 2.91Å; A892-H895 PolarHBondContact O-N 3.22Å; A892-H895 VanDerWaalsContact O-N 3.09Å; A892-T896 PolarHBondContact O-N 3.18Å; A892-T896 PolarHBondContact O-OG1 3.42Å |
| 893 | A | 87 | Confident | 87.9 | Confident | 39 Ų | 39 | 39.2 Ų | 39.2 | 32% | 0.322 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.5 | -32.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P891 L897 L922 | P891-A893 VanDerWaalsContact C-N 3.28Å; P891-A893 PolarHBondContact O-N 2.86Å; A893-L897 PolarHBondContact O-N 2.87Å; A893-L922 HydrophobicContact CB-CD1 4.35Å; A893-L922 HydrophobicContact CB-CD2 4Å |
| 894 | L | 91.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -78 | -37.8 | 175.8 | -65.9 | -180 | 0 | 0 | 0 | 111.7 | V761 V765 M855 M859 P891 A892 L897 M898 L919 L922 L929 | V761-L894 HydrophobicContact CG1-CD1 4.46Å; V765-L894 HydrophobicContact CG2-CD1 3.59Å; V765-L894 HydrophobicContact CG2-CD2 4.06Å; V765-L894 HydrophobicContact CG2-CG 4.38Å; M855-L894 HydrophobicContact CE-CD2 4.41Å; M855-L894 WeakPolarHBondContact CE-O 3.36Å; M859-L894 HydrophobicContact CE-CD1 4.02Å; M859-L894 HydrophobicContact SD-CD1 3.81Å; P891-L894 HydrophobicContact CG-CD1 4.15Å; P891-L894 PolarHBondContact O-N 2.85Å; A892-L894 VanDerWaalsContact C-N 3.26Å; A892-L894 PolarHBondContact O-N 2.91Å; L894-L897 PolarHBondContact O-N 2.74Å; L894-M898 WeakPolarHBondContact O-CG 3.45Å; L894-M898 PolarHBondContact O-N 2.87Å; L894-L919 HydrophobicContact CD2-CD2 3.87Å; L894-L922 HydrophobicContact CD2-CD1 3.51Å; L894-L922 HydrophobicContact CG-CD1 4.3Å; L894-L929 HydrophobicContact CG-CD2 4.49Å |
| 895 | H | 92.1 | Very high | 87.9 | Confident | 41 Ų | 41 | 46.2 Ų | 46.2 | 19% | 0.19 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 176.3 | -178.7 | -110.9 | 0 | 0 | 0 | 112.3 | A886 P891 A892 L897 M898 L899 | A886-H895 VanDerWaalsContact CA-CD2 3.4Å; A886-H895 WeakPolarHBondContact CA-CD2 3.43Å; A886-H895 HydrophobicContact CB-CB 4.12Å; A886-H895 PolarHBondContact N-CD2 3.31Å; A886-H895 PolarHBondContact N-NE2 2.93Å; A886-H895 VanDerWaalsContact N-NE2 3.14Å; P891-H895 PolarHBondContact O-N 2.89Å; A892-H895 PolarHBondContact O-N 3.22Å; A892-H895 VanDerWaalsContact O-N 3.09Å; H895-L897 VanDerWaalsContact C-N 3.32Å; H895-L897 PolarHBondContact O-N 3.1Å; H895-M898 WeakPolarHBondContact O-CB 3.43Å; H895-M898 PolarHBondContact O-N 2.91Å; H895-M898 VanDerWaalsContact O-N 3.15Å; H895-L899 WeakPolarHBondContact O-CG 3.35Å; H895-L899 PolarHBondContact O-N 3Å |
| 896 | T | 91.8 | Very high | 88.3 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 44% | 0.442 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 170.8 | -56.9 | 0 | 0 | 0 | 0 | 110.7 | A892 M898 L899 D900 | A892-T896 PolarHBondContact O-N 3.18Å; A892-T896 PolarHBondContact O-OG1 3.42Å; T896-M898 VanDerWaalsContact C-N 3.29Å; T896-M898 PolarHBondContact O-N 3.49Å; T896-L899 WeakPolarHBondContact O-CA 3.27Å; T896-L899 WeakPolarHBondContact O-CB 3.04Å; T896-L899 PolarHBondContact O-N 2.86Å; T896-D900 VanDerWaalsContact O-CG 3.26Å; T896-D900 PolarHBondContact O-N 2.92Å |
| 897 | L | 95.1 | Very high | 88.6 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -31.9 | 176.7 | -176.7 | 61.8 | 0 | 0 | 0 | 113 | M855 A893 L894 H895 C901 P910 I915 V918 L919 | M855-L897 HydrophobicContact CE-CB 4.04Å; M855-L897 HydrophobicContact CE-CD2 3.82Å; M855-L897 HydrophobicContact CE-CG 3.9Å; M855-L897 HydrophobicContact SD-CD2 4.33Å; M855-L897 HydrophobicContact SD-CG 4.15Å; A893-L897 PolarHBondContact O-N 2.87Å; L894-L897 PolarHBondContact O-N 2.74Å; H895-L897 VanDerWaalsContact C-N 3.32Å; H895-L897 PolarHBondContact O-N 3.1Å; L897-C901 PolarHBondContact O-N 3.23Å; L897-C901 VanDerWaalsContact O-N 3.09Å; L897-C901 PolarHBondContact O-SG 3.32Å; L897-P910 HydrophobicContact CD1-CG 4.44Å; L897-I915 HydrophobicContact CD1-CG1 4.37Å; L897-I915 HydrophobicContact CD2-CG2 4.38Å; L897-V918 HydrophobicContact CD2-CB 4.25Å; L897-V918 HydrophobicContact CD2-CG1 3.89Å; L897-L919 HydrophobicContact CD2-CD2 3.99Å; L897-L919 HydrophobicContact CD2-CG 4.28Å |
| 898 | M | 97.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 169.7 | -63.7 | 170.4 | -159.4 | 0 | 0 | 111.7 | M855 W856 M859 L894 H895 T896 D900 C901 W902 | M855-M898 HydrophobicContact CB-CE 4.02Å; M855-M898 HydrophobicContact CB-CG 3.74Å; M855-M898 HydrophobicContact CB-SD 4.44Å; M855-M898 HydrophobicContact CE-CG 3.94Å; M855-M898 HydrophobicContact SD-CG 4.16Å; W856-M898 HydrophobicContact CB-SD 4.22Å; M859-M898 HydrophobicContact CB-CE 4.04Å; M859-M898 HydrophobicContact CG-CE 3.72Å; L894-M898 WeakPolarHBondContact O-CG 3.45Å; L894-M898 PolarHBondContact O-N 2.87Å; H895-M898 WeakPolarHBondContact O-CB 3.43Å; H895-M898 PolarHBondContact O-N 2.91Å; H895-M898 VanDerWaalsContact O-N 3.15Å; T896-M898 VanDerWaalsContact C-N 3.29Å; T896-M898 PolarHBondContact O-N 3.49Å; M898-D900 VanDerWaalsContact C-N 3.34Å; M898-D900 PolarHBondContact O-N 2.74Å; M898-C901 WeakPolarHBondContact O-CB 3.26Å; M898-C901 PolarHBondContact O-N 3.49Å; M898-W902 HydrophobicContact CB-CE3 4.12Å; M898-W902 HydrophobicContact CB-CH2 3.85Å; M898-W902 HydrophobicContact CB-CZ2 4.35Å; M898-W902 HydrophobicContact CB-CZ3 3.73Å; M898-W902 HydrophobicContact CG-CH2 4.39Å; M898-W902 VanDerWaalsContact O-CD2 3.24Å; M898-W902 PolarHBondContact O-N 3.25Å; M898-W902 VanDerWaalsContact O-N 3.08Å; M898-W902 HydrophobicContact SD-CH2 4.27Å |
| 899 | L | 94.5 | Very high | 90.4 | Very high | 64 Ų | 64 | 51.9 Ų | 51.9 | 34% | 0.335 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 177.4 | -66.3 | 172.5 | 0 | 0 | 0 | 111.8 | R883 H895 T896 C901 W902 Q903 | R883-L899 HydrophobicContact CB-CD2 4.09Å; R883-L899 HydrophobicContact CG-CD2 4.33Å; H895-L899 WeakPolarHBondContact O-CG 3.35Å; H895-L899 PolarHBondContact O-N 3Å; T896-L899 WeakPolarHBondContact O-CA 3.27Å; T896-L899 WeakPolarHBondContact O-CB 3.04Å; T896-L899 PolarHBondContact O-N 2.86Å; L899-C901 VanDerWaalsContact C-N 3.32Å; L899-C901 PolarHBondContact O-N 2.97Å; L899-W902 HydrophobicContact CD2-CE3 4.29Å; L899-W902 CarbonylContact O-C 3.52Å; L899-W902 WeakPolarHBondContact O-CA 3.25Å; L899-W902 PolarHBondContact O-N 3.46Å; L899-Q903 PolarHBondContact O-N 3.15Å |
| 900 | D | 95.6 | Very high | 91.6 | Very high | 62 Ų | 62 | 49.9 Ų | 49.9 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 173.6 | -62.2 | -26.3 | 0 | 0 | 0 | 111.5 | T896 M898 W902 Q903 P910 | T896-D900 VanDerWaalsContact O-CG 3.26Å; T896-D900 PolarHBondContact O-N 2.92Å; M898-D900 VanDerWaalsContact C-N 3.34Å; M898-D900 PolarHBondContact O-N 2.74Å; D900-W902 PolarHBondContact O-N 2.94Å; D900-Q903 WeakPolarHBondContact O-CG 3.46Å; D900-P910 HydrophobicContact CB-CG 4.19Å; D900-P910 VanDerWaalsContact O-CD 3.25Å; D900-P910 WeakPolarHBondContact O-CD 3.01Å |
| 901 | C | 97.6 | Very high | 92 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67 | -23.3 | 172.4 | -65.5 | 0 | 0 | 0 | 0 | 113.1 | V848 W849 L897 M898 L899 R909 | V848-C901 HydrophobicContact CG1-CB 3.98Å; W849-C901 WeakPolarHBondContact CA-O 3.47Å; L897-C901 PolarHBondContact O-N 3.23Å; L897-C901 VanDerWaalsContact O-N 3.09Å; L897-C901 PolarHBondContact O-SG 3.32Å; M898-C901 WeakPolarHBondContact O-CB 3.26Å; M898-C901 PolarHBondContact O-N 3.49Å; L899-C901 VanDerWaalsContact C-N 3.32Å; L899-C901 PolarHBondContact O-N 2.97Å; C901-R909 WeakPolarHBondContact O-CD 3.31Å |
| 902 | W | 97.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 22.8 | -178.5 | -57.4 | -40 | 0 | 0 | 0 | 114.9 | W849 G852 V853 W856 R883 L884 M898 L899 D900 | W849-W902 AromaticContact CD2-CD1 3.69Å; W849-W902 HydrophobicContact CD2-CG 4.45Å; W849-W902 AromaticContact CE2-CD1 3.84Å; W849-W902 HydrophobicContact CE3-CB 4.07Å; W849-W902 HydrophobicContact CE3-CG 4.48Å; W849-W902 AromaticContact CG-CD1 3.93Å; W849-W902 HydrophobicContact CH2-CB 4.23Å; W849-W902 HydrophobicContact CZ3-CB 3.93Å; W849-W902 VanDerWaalsContact CZ3-O 3.23Å; W849-W902 WeakPolarHBondContact CZ3-O 3.42Å; W849-W902 PolarHBondContact O-NE1 3.17Å; G852-W902 VanDerWaalsContact C-CZ2 3.42Å; G852-W902 WeakPolarHBondContact O-CZ2 3.45Å; V853-W902 HydrophobicContact CG2-CZ2 4.22Å; W856-W902 HydrophobicContact CB-CH2 4.07Å; W856-W902 HydrophobicContact CB-CZ2 4.2Å; W856-W902 HydrophobicContact CG-CH2 4.38Å; R883-W902 HydrophobicContact CB-CE3 4.03Å; R883-W902 HydrophobicContact CB-CZ3 4.42Å; R883-W902 HydrophobicContact CG-CB 4.48Å; R883-W902 HydrophobicContact CG-CE3 4.43Å; R883-W902 PolarHBondContact NE-O 3.46Å; R883-W902 PolarHBondContact NH2-O 2.93Å; L884-W902 HydrophobicContact CB-CH2 3.74Å; L884-W902 HydrophobicContact CB-CZ2 4.46Å; L884-W902 HydrophobicContact CB-CZ3 4.13Å; L884-W902 HydrophobicContact CD1-CH2 4.22Å; L884-W902 HydrophobicContact CD1-CZ2 4.17Å; L884-W902 HydrophobicContact CG-CH2 4.44Å; M898-W902 HydrophobicContact CB-CE3 4.12Å; M898-W902 HydrophobicContact CB-CH2 3.85Å; M898-W902 HydrophobicContact CB-CZ2 4.35Å; M898-W902 HydrophobicContact CB-CZ3 3.73Å; M898-W902 HydrophobicContact CG-CH2 4.39Å; M898-W902 VanDerWaalsContact O-CD2 3.24Å; M898-W902 PolarHBondContact O-N 3.25Å; M898-W902 VanDerWaalsContact O-N 3.08Å; M898-W902 HydrophobicContact SD-CH2 4.27Å; L899-W902 HydrophobicContact CD2-CE3 4.29Å; L899-W902 CarbonylContact O-C 3.52Å; L899-W902 WeakPolarHBondContact O-CA 3.25Å; L899-W902 PolarHBondContact O-N 3.46Å; D900-W902 PolarHBondContact O-N 2.94Å |
| 903 | Q | 95.6 | Very high | 93.1 | Very high | 81 Ų | 81 | 56 Ų | 56 | 38% | 0.379 | 28% | 0.276 | S | S | . | . | trans | -57.9 | 141.2 | 170.5 | -67.8 | -63.4 | -9.5 | 0 | 0 | 111.2 | L899 D900 D905 E908 R909 | L899-Q903 PolarHBondContact O-N 3.15Å; D900-Q903 WeakPolarHBondContact O-CG 3.46Å; Q903-D905 CarbonylContact C-O 3.55Å; Q903-E908 HydrophobicContact CB-CB 3.94Å; Q903-E908 HydrophobicContact CG-CB 4.11Å; Q903-R909 HydrophobicContact CB-CG 4Å; Q903-R909 PolarHBondContact O-NE 3.16Å; Q903-R909 PolarHBondContact O-NH2 3.26Å; Q903-R909 VanDerWaalsContact O-NH2 3.15Å | ||
| 904 | K | 88.1 | Confident | 93.5 | Very high | 110 Ų | 110 | 58.4 Ų | 58.4 | 48% | 0.478 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -68.1 | -44.1 | -176.3 | -171.1 | 166.2 | -175 | 165.3 | 0 | 111 | E879 R909 | E879-K904 PolarHBondContact O-NZ 2.91Å; E879-K904 VanDerWaalsContact OE1-CE 3.29Å; E879-K904 WeakPolarHBondContact OE1-CE 3.18Å; E879-K904 IonicContact OE1-NZ 3.08Å; E879-K904 PolarHBondContact OE1-NZ 2.96Å; K904-R909 PolarHBondContact O-NH2 3.07Å |
| 905 | D | 87.6 | Confident | 93.8 | Very high | 79 Ų | 79 | 58.4 Ų | 58.4 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -72.7 | 132.7 | 164.9 | -167.5 | -18.5 | 0 | 0 | 0 | 109.7 | Q903 N907 E908 | Q903-D905 CarbonylContact C-O 3.55Å; D905-N907 VanDerWaalsContact C-N 3.26Å; D905-N907 PolarHBondContact O-N 3.39Å; D905-N907 WeakPolarHBondContact OD1-CB 3.27Å; D905-N907 VanDerWaalsContact OD1-CG 3.31Å; D905-N907 PolarHBondContact OD1-N 2.79Å; D905-N907 PolarHBondContact OD1-ND2 3.36Å; D905-N907 PolarHBondContact OD2-ND2 3.04Å; D905-E908 HydrophobicContact CB-CG 4.09Å |
| 906 | R | 89 | Confident | 94 | Very high | 109 Ų | 109 | 57.2 Ų | 57.2 | 41% | 0.411 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -69.5 | -21 | 176 | 73.2 | -179.5 | -170.5 | 172.1 | 3 | 113.5 | S845 | S845-R906 WeakPolarHBondContact CB-O 3.41Å; S845-R906 PolarHBondContact OG-O 2.81Å |
| 907 | N | 86.1 | Confident | 94.2 | Very high | 112 Ų | 112 | 57.1 Ų | 57.1 | 60% | 0.599 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -80.3 | -26.6 | -177.9 | -54.8 | -41.9 | 0 | 0 | 0 | 111.9 | D905 R909 | D905-N907 VanDerWaalsContact C-N 3.26Å; D905-N907 PolarHBondContact O-N 3.39Å; D905-N907 WeakPolarHBondContact OD1-CB 3.27Å; D905-N907 VanDerWaalsContact OD1-CG 3.31Å; D905-N907 PolarHBondContact OD1-N 2.79Å; D905-N907 PolarHBondContact OD1-ND2 3.36Å; D905-N907 PolarHBondContact OD2-ND2 3.04Å; N907-R909 VanDerWaalsContact C-N 3.29Å |
| 908 | E | 92.7 | Very high | 94.2 | Very high | 141 Ų | 141 | 59.3 Ų | 59.3 | 66% | 0.659 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -80.3 | -8.8 | 176.1 | -63.3 | -61.6 | 148.3 | 0 | 0 | 112.8 | Q903 D905 | Q903-E908 HydrophobicContact CB-CB 3.94Å; Q903-E908 HydrophobicContact CG-CB 4.11Å; D905-E908 HydrophobicContact CB-CG 4.09Å |
| 909 | R | 95.8 | Very high | 94 | Very high | 10 Ų | 10 | 59.3 Ų | 59.3 | 4% | 0.038 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -78.5 | 138.7 | 178.9 | -61.2 | 178.4 | -163.4 | 151.7 | 11.3 | 110.8 | E835 S845 V848 C901 Q903 K904 N907 | E835-R909 IonicContact OE1-CZ 2.71Å; E835-R909 IonicContact OE1-NH1 3.49Å; E835-R909 PolarHBondContact OE1-NH1 3.08Å; E835-R909 IonicContact OE1-NH2 3.24Å; E835-R909 IonicContact OE2-CZ 3.14Å; E835-R909 IonicContact OE2-NH1 3.37Å; E835-R909 PolarHBondContact OE2-NH1 2.85Å; E835-R909 IonicContact OE2-NH2 2.76Å; E835-R909 PolarHBondContact OE2-NH2 3.27Å; S845-R909 WeakPolarHBondContact O-CD 3.42Å; S845-R909 PolarHBondContact O-NH1 2.91Å; V848-R909 HydrophobicContact CG1-CB 4Å; C901-R909 WeakPolarHBondContact O-CD 3.31Å; Q903-R909 HydrophobicContact CB-CG 4Å; Q903-R909 PolarHBondContact O-NE 3.16Å; Q903-R909 PolarHBondContact O-NH2 3.26Å; Q903-R909 VanDerWaalsContact O-NH2 3.15Å; K904-R909 PolarHBondContact O-NH2 3.07Å; N907-R909 VanDerWaalsContact C-N 3.29Å |
| 910 | P | 95.9 | Very high | 94 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 16% | 0.156 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -68 | 141.8 | 178.8 | 28.7 | -34.5 | 0 | 0 | 0 | 111.5 | V848 L897 D900 Q914 I915 | V848-P910 WeakPolarHBondContact CG1-O 3.22Å; V848-P910 WeakPolarHBondContact CG2-O 3.45Å; L897-P910 HydrophobicContact CD1-CG 4.44Å; D900-P910 HydrophobicContact CB-CG 4.19Å; D900-P910 VanDerWaalsContact O-CD 3.25Å; D900-P910 WeakPolarHBondContact O-CD 3.01Å; P910-Q914 HydrophobicContact CB-CB 4.34Å; P910-I915 HydrophobicContact CB-CG1 4.08Å; P910-I915 HydrophobicContact CG-CD1 4.2Å; P910-I915 HydrophobicContact CG-CG1 3.92Å |
| 911 | R | 93.1 | Very high | 93.8 | Very high | 169 Ų | 169 | 60.7 Ų | 60.7 | 64% | 0.638 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 152.7 | 170.9 | -61.4 | -168.3 | -65 | -123.4 | 2.7 | 110.7 | C913 Q914 I915 | R911-C913 VanDerWaalsContact C-N 3.26Å; R911-C913 PolarHBondContact O-N 2.84Å; R911-C913 VanDerWaalsContact O-N 3.15Å; R911-Q914 WeakPolarHBondContact O-CA 3.32Å; R911-Q914 WeakPolarHBondContact O-CB 3.37Å; R911-Q914 PolarHBondContact O-N 3.29Å; R911-I915 PolarHBondContact O-N 3.23Å |
| 912 | F | 97.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -53.3 | -38.5 | 179.6 | -76.1 | -68.3 | 0 | 0 | 0 | 114.1 | M775 T776 L788 D847 V848 Y851 Q914 I915 V916 | M775-F912 HydrophobicContact CB-CD1 3.55Å; M775-F912 HydrophobicContact CB-CD2 3.95Å; M775-F912 HydrophobicContact CB-CE1 3.44Å; M775-F912 VanDerWaalsContact CB-CE1 3.44Å; M775-F912 HydrophobicContact CB-CE2 3.85Å; M775-F912 HydrophobicContact CB-CG 3.8Å; M775-F912 HydrophobicContact CB-CZ 3.6Å; M775-F912 HydrophobicContact CE-CE2 3.9Å; M775-F912 HydrophobicContact CE-CZ 3.9Å; M775-F912 HydrophobicContact CG-CE1 3.97Å; M775-F912 HydrophobicContact CG-CZ 4Å; T776-F912 VanDerWaalsContact OG1-C 3.3Å; T776-F912 WeakPolarHBondContact OG1-CB 3.35Å; T776-F912 PolarHBondContact OG1-O 3.45Å; L788-F912 HydrophobicContact CD2-CZ 4.31Å; D847-F912 HydrophobicContact CB-CE2 4.01Å; D847-F912 HydrophobicContact CB-CZ 4.01Å; V848-F912 HydrophobicContact CB-CZ 4.44Å; V848-F912 HydrophobicContact CG2-CD1 4.37Å; V848-F912 HydrophobicContact CG2-CD2 3.9Å; V848-F912 HydrophobicContact CG2-CE1 4.15Å; V848-F912 HydrophobicContact CG2-CE2 3.65Å; V848-F912 HydrophobicContact CG2-CG 4.25Å; V848-F912 HydrophobicContact CG2-CZ 3.79Å; Y851-F912 HydrophobicContact CD1-CE1 4.38Å; Y851-F912 HydrophobicContact CD2-CE1 4.05Å; Y851-F912 AromaticContact CG-CE1 3.76Å; Y851-F912 HydrophobicContact CG-CE1 3.76Å; F912-Q914 VanDerWaalsContact C-N 3.29Å; F912-Q914 PolarHBondContact O-N 3.38Å; F912-I915 HydrophobicContact CD1-CD1 4.1Å; F912-I915 HydrophobicContact CE1-CD1 4.5Å; F912-I915 WeakPolarHBondContact O-CB 3.49Å; F912-I915 PolarHBondContact O-N 3.41Å; F912-I915 VanDerWaalsContact O-N 3.16Å; F912-V916 WeakPolarHBondContact O-CG2 3.33Å; F912-V916 PolarHBondContact O-N 2.91Å |
| 913 | C | 93.4 | Very high | 93.2 | Very high | 49 Ų | 49 | 63.9 Ų | 63.9 | 33% | 0.331 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.7 | -31.5 | 174.4 | 59.2 | 0 | 0 | 0 | 0 | 113.9 | T776 R911 T917 | T776-C913 HydrophobicContact CG2-CB 3.9Å; R911-C913 VanDerWaalsContact C-N 3.26Å; R911-C913 PolarHBondContact O-N 2.84Å; R911-C913 VanDerWaalsContact O-N 3.15Å; C913-T917 WeakPolarHBondContact O-CB 3.31Å; C913-T917 PolarHBondContact O-N 3.08Å; C913-T917 VanDerWaalsContact O-N 3.16Å; C913-T917 PolarHBondContact O-OG1 2.86Å |
| 914 | Q | 95.2 | Very high | 93 | Very high | 90 Ų | 90 | 68.2 Ų | 68.2 | 42% | 0.421 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -73.8 | -41.7 | 173.4 | -63.9 | 169.1 | -53.3 | 0 | 0 | 110.5 | P910 R911 F912 T917 V918 | P910-Q914 HydrophobicContact CB-CB 4.34Å; R911-Q914 WeakPolarHBondContact O-CA 3.32Å; R911-Q914 WeakPolarHBondContact O-CB 3.37Å; R911-Q914 PolarHBondContact O-N 3.29Å; F912-Q914 VanDerWaalsContact C-N 3.29Å; F912-Q914 PolarHBondContact O-N 3.38Å; Q914-T917 WeakPolarHBondContact O-CB 3.14Å; Q914-T917 PolarHBondContact O-N 2.9Å; Q914-T917 VanDerWaalsContact O-N 3.13Å; Q914-V918 WeakPolarHBondContact O-CG2 3.48Å; Q914-V918 PolarHBondContact O-N 3.08Å |
| 915 | I | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.3 | -50.3 | 174 | -64.3 | 171.8 | 0 | 0 | 0 | 110.6 | A772 V848 Y851 L897 P910 R911 F912 T917 V918 L919 | A772-I915 HydrophobicContact CB-CG2 3.95Å; V848-I915 HydrophobicContact CG1-CD1 4.07Å; V848-I915 HydrophobicContact CG2-CD1 4.29Å; Y851-I915 HydrophobicContact CD1-CD1 4.06Å; Y851-I915 HydrophobicContact CD1-CG2 4.22Å; Y851-I915 HydrophobicContact CE1-CD1 4.38Å; Y851-I915 HydrophobicContact CE1-CG2 3.49Å; Y851-I915 VanDerWaalsContact CE1-CG2 3.49Å; L897-I915 HydrophobicContact CD1-CG1 4.37Å; L897-I915 HydrophobicContact CD2-CG2 4.38Å; P910-I915 HydrophobicContact CB-CG1 4.08Å; P910-I915 HydrophobicContact CG-CD1 4.2Å; P910-I915 HydrophobicContact CG-CG1 3.92Å; R911-I915 PolarHBondContact O-N 3.23Å; F912-I915 HydrophobicContact CD1-CD1 4.1Å; F912-I915 HydrophobicContact CE1-CD1 4.5Å; F912-I915 WeakPolarHBondContact O-CB 3.49Å; F912-I915 PolarHBondContact O-N 3.41Å; F912-I915 VanDerWaalsContact O-N 3.16Å; I915-T917 VanDerWaalsContact C-N 3.27Å; I915-T917 PolarHBondContact O-N 2.91Å; I915-V918 PolarHBondContact O-N 3.28Å; I915-V918 VanDerWaalsContact O-N 3.11Å; I915-L919 HydrophobicContact CG2-CD1 3.93Å; I915-L919 HydrophobicContact CG2-CG 4.45Å; I915-L919 WeakPolarHBondContact O-CG 3.49Å; I915-L919 PolarHBondContact O-N 2.85Å |
| 916 | V | 97.5 | Very high | 92.6 | Very high | 17 Ų | 17 | 65 Ų | 65 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.6 | -42.4 | 175 | 174.2 | 0 | 0 | 0 | 0 | 111 | A772 A773 T776 F912 V918 L919 D920 | A772-V916 HydrophobicContact CB-CG2 3.6Å; A773-V916 HydrophobicContact CB-CG2 4.48Å; T776-V916 WeakPolarHBondContact OG1-CG2 3.44Å; F912-V916 WeakPolarHBondContact O-CG2 3.33Å; F912-V916 PolarHBondContact O-N 2.91Å; V916-V918 VanDerWaalsContact C-N 3.34Å; V916-V918 PolarHBondContact O-N 3.08Å; V916-L919 PolarHBondContact O-N 3.12Å; V916-D920 WeakPolarHBondContact O-CB 3.25Å; V916-D920 PolarHBondContact O-N 3.41Å |
| 917 | T | 95.6 | Very high | 92 | Very high | 69 Ų | 69 | 64.9 Ų | 64.9 | 42% | 0.423 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 177.9 | -60.7 | 0 | 0 | 0 | 0 | 112.6 | C913 Q914 I915 K921 | C913-T917 WeakPolarHBondContact O-CB 3.31Å; C913-T917 PolarHBondContact O-N 3.08Å; C913-T917 VanDerWaalsContact O-N 3.16Å; C913-T917 PolarHBondContact O-OG1 2.86Å; Q914-T917 WeakPolarHBondContact O-CB 3.14Å; Q914-T917 PolarHBondContact O-N 2.9Å; Q914-T917 VanDerWaalsContact O-N 3.13Å; I915-T917 VanDerWaalsContact C-N 3.27Å; I915-T917 PolarHBondContact O-N 2.91Å; T917-K921 VanDerWaalsContact O-CG 3.28Å; T917-K921 WeakPolarHBondContact O-CG 3.49Å; T917-K921 PolarHBondContact O-N 2.78Å |
| 918 | V | 94.2 | Very high | 91.5 | Very high | 54 Ų | 54 | 63.5 Ų | 63.5 | 33% | 0.327 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.3 | -47.1 | 175.1 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | L897 Q914 I915 V916 D920 K921 L922 | L897-V918 HydrophobicContact CD2-CB 4.25Å; L897-V918 HydrophobicContact CD2-CG1 3.89Å; Q914-V918 WeakPolarHBondContact O-CG2 3.48Å; Q914-V918 PolarHBondContact O-N 3.08Å; I915-V918 PolarHBondContact O-N 3.28Å; I915-V918 VanDerWaalsContact O-N 3.11Å; V916-V918 VanDerWaalsContact C-N 3.34Å; V916-V918 PolarHBondContact O-N 3.08Å; V918-D920 PolarHBondContact O-N 2.86Å; V918-K921 WeakPolarHBondContact O-CB 3.31Å; V918-K921 PolarHBondContact O-N 2.77Å; V918-K921 VanDerWaalsContact O-N 3.12Å; V918-L922 HydrophobicContact CG1-CD1 4.38Å; V918-L922 PolarHBondContact O-N 3.13Å |
| 919 | L | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 179.5 | -62.7 | 171.7 | 0 | 0 | 0 | 111.8 | V765 L768 R769 A772 Y851 L894 L897 I915 V916 K921 L922 I923 | V765-L919 HydrophobicContact CG1-CB 4.47Å; V765-L919 HydrophobicContact CG1-CD2 4.16Å; L768-L919 HydrophobicContact CB-CD1 4.34Å; R769-L919 HydrophobicContact CB-CB 4.11Å; R769-L919 HydrophobicContact CB-CD1 4.24Å; R769-L919 HydrophobicContact CG-CB 4.19Å; A772-L919 HydrophobicContact CB-CD1 4.13Å; Y851-L919 VanDerWaalsContact OH-CD1 3.3Å; Y851-L919 WeakPolarHBondContact OH-CD1 3.35Å; L894-L919 HydrophobicContact CD2-CD2 3.87Å; L897-L919 HydrophobicContact CD2-CD2 3.99Å; L897-L919 HydrophobicContact CD2-CG 4.28Å; I915-L919 HydrophobicContact CG2-CD1 3.93Å; I915-L919 HydrophobicContact CG2-CG 4.45Å; I915-L919 WeakPolarHBondContact O-CG 3.49Å; I915-L919 PolarHBondContact O-N 2.85Å; V916-L919 PolarHBondContact O-N 3.12Å; L919-K921 VanDerWaalsContact C-N 3.27Å; L919-K921 PolarHBondContact O-N 2.81Å; L919-L922 PolarHBondContact O-N 3.47Å; L919-L922 VanDerWaalsContact O-N 3.11Å; L919-I923 WeakPolarHBondContact O-CG1 3.4Å; L919-I923 PolarHBondContact O-N 2.82Å |
| 920 | D | 93.6 | Very high | 89.1 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 16% | 0.16 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -30 | 174.8 | -78.1 | -11.7 | 0 | 0 | 0 | 112.3 | R769 V916 V918 R924 | R769-D920 WeakPolarHBondContact CG-OD1 3.49Å; R769-D920 IonicContact CZ-OD1 3.15Å; R769-D920 IonicContact CZ-OD2 3.65Å; R769-D920 IonicContact NE-OD1 2.66Å; R769-D920 PolarHBondContact NE-OD1 2.98Å; R769-D920 IonicContact NE-OD2 2.87Å; R769-D920 IonicContact NH2-OD1 2.68Å; R769-D920 PolarHBondContact NH2-OD1 3.06Å; R769-D920 IonicContact NH2-OD2 2.76Å; R769-D920 PolarHBondContact NH2-OD2 2.89Å; V916-D920 WeakPolarHBondContact O-CB 3.25Å; V916-D920 PolarHBondContact O-N 3.41Å; V918-D920 PolarHBondContact O-N 2.86Å; D920-R924 WeakPolarHBondContact O-CB 3.31Å; D920-R924 VanDerWaalsContact O-CG 3.32Å; D920-R924 WeakPolarHBondContact O-CG 3.26Å; D920-R924 PolarHBondContact O-N 2.8Å; D920-R924 VanDerWaalsContact O-N 3.09Å; D920-R924 PolarHBondContact O-NE 3.3Å; D920-R924 VanDerWaalsContact O-NE 3.08Å; D920-R924 PolarHBondContact O-NH2 2.91Å |
| 921 | K | 91.8 | Very high | 86.5 | Confident | 125 Ų | 125 | 66.8 Ų | 66.8 | 54% | 0.543 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.1 | -41.6 | 171.1 | -75.4 | 169.4 | -180 | 179.6 | 0 | 111.7 | T917 V918 L919 R924 N925 | T917-K921 VanDerWaalsContact O-CG 3.28Å; T917-K921 WeakPolarHBondContact O-CG 3.49Å; T917-K921 PolarHBondContact O-N 2.78Å; V918-K921 WeakPolarHBondContact O-CB 3.31Å; V918-K921 PolarHBondContact O-N 2.77Å; V918-K921 VanDerWaalsContact O-N 3.12Å; L919-K921 VanDerWaalsContact C-N 3.27Å; L919-K921 PolarHBondContact O-N 2.81Å; K921-R924 PolarHBondContact O-N 3.11Å; K921-N925 PolarHBondContact O-N 2.85Å |
| 922 | L | 90.5 | Very high | 83.9 | Confident | 9 Ų | 9 | 64.4 Ų | 64.4 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.3 | -35.3 | 176.7 | -66.9 | 175.5 | 0 | 0 | 0 | 112.4 | A893 L894 V918 L919 N925 N928 L929 | A893-L922 HydrophobicContact CB-CD1 4.35Å; A893-L922 HydrophobicContact CB-CD2 4Å; L894-L922 HydrophobicContact CD2-CD1 3.51Å; L894-L922 HydrophobicContact CG-CD1 4.3Å; V918-L922 HydrophobicContact CG1-CD1 4.38Å; V918-L922 PolarHBondContact O-N 3.13Å; L919-L922 PolarHBondContact O-N 3.47Å; L919-L922 VanDerWaalsContact O-N 3.11Å; L922-N925 CarbonylContact O-C 3.59Å; L922-N928 HydrophobicContact CD2-CB 3.84Å; L922-L929 HydrophobicContact CB-CD2 4.21Å; L922-L929 HydrophobicContact CD1-CD2 4.27Å; L922-L929 HydrophobicContact CD2-CD2 4.11Å; L922-L929 HydrophobicContact CG-CD2 4.43Å |
| 923 | I | 92.1 | Very high | 80.7 | Confident | 59 Ų | 59 | 72.1 Ų | 72.1 | 30% | 0.303 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.6 | -43.8 | 174.1 | -66.8 | 167.2 | 0 | 0 | 0 | 111.2 | I762 V765 R769 L919 N925 | I762-I923 HydrophobicContact CD1-CB 4.21Å; I762-I923 HydrophobicContact CD1-CG1 4.01Å; I762-I923 HydrophobicContact CD1-CG2 4.29Å; V765-I923 HydrophobicContact CG1-CD1 4.06Å; V765-I923 HydrophobicContact CG1-CG1 3.6Å; R769-I923 HydrophobicContact CB-CD1 3.96Å; R769-I923 HydrophobicContact CG-CD1 3.93Å; L919-I923 WeakPolarHBondContact O-CG1 3.4Å; L919-I923 PolarHBondContact O-N 2.82Å; I923-N925 VanDerWaalsContact C-N 3.34Å; I923-N925 PolarHBondContact O-N 3.43Å |
| 924 | R | 90.1 | Very high | 77.7 | Confident | 173 Ų | 173 | 75.9 Ų | 75.9 | 65% | 0.653 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -71.1 | -24.6 | 179.4 | -75.6 | -179.6 | -66.9 | -120.1 | -3.9 | 114 | D920 K921 | D920-R924 WeakPolarHBondContact O-CB 3.31Å; D920-R924 VanDerWaalsContact O-CG 3.32Å; D920-R924 WeakPolarHBondContact O-CG 3.26Å; D920-R924 PolarHBondContact O-N 2.8Å; D920-R924 VanDerWaalsContact O-N 3.09Å; D920-R924 PolarHBondContact O-NE 3.3Å; D920-R924 VanDerWaalsContact O-NE 3.08Å; D920-R924 PolarHBondContact O-NH2 2.91Å; K921-R924 PolarHBondContact O-N 3.11Å |
| 925 | N | 87.1 | Confident | 74.5 | Confident | 68 Ų | 68 | 77.6 Ų | 77.6 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | trans | -130.4 | 80.8 | 175.8 | -170.4 | 32 | 0 | 0 | 0 | 112 | K921 L922 I923 E927 N928 | K921-N925 PolarHBondContact O-N 2.85Å; L922-N925 CarbonylContact O-C 3.59Å; I923-N925 VanDerWaalsContact C-N 3.34Å; I923-N925 PolarHBondContact O-N 3.43Å; N925-E927 PolarHBondContact O-N 2.88Å; N925-E927 VanDerWaalsContact O-N 3.09Å; N925-N928 PolarHBondContact ND2-ND2 3.2Å; N925-N928 PolarHBondContact ND2-OD1 3.38Å; N925-N928 WeakPolarHBondContact O-CB 3.19Å; N925-N928 PolarHBondContact O-N 3.33Å | ||
| 926 | P | 81.9 | Confident | 71.2 | Confident | 53 Ų | 53 | 83.3 Ų | 83.3 | 34% | 0.344 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -61.5 | -17.5 | -177.7 | -24.5 | 35.5 | 0 | 0 | 0 | 114.9 | N928 L929 | P926-N928 PolarHBondContact O-N 3.46Å; P926-L929 VanDerWaalsContact O-CB 3.31Å; P926-L929 WeakPolarHBondContact O-CB 3.38Å; P926-L929 PolarHBondContact O-N 2.65Å |
| 927 | E | 76.4 | Confident | 68.2 | Low | 107 Ų | 107 | 86.9 Ų | 86.9 | 50% | 0.5 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -64.3 | -26.4 | 174.3 | -56.4 | -50.2 | 114.9 | 0 | 0 | 112.3 | N925 L929 K930 | N925-E927 PolarHBondContact O-N 2.88Å; N925-E927 VanDerWaalsContact O-N 3.09Å; E927-L929 PolarHBondContact O-N 3.05Å; E927-L929 VanDerWaalsContact O-N 3.13Å; E927-K930 VanDerWaalsContact CD-NZ 3.29Å; E927-K930 PolarHBondContact O-N 3.12Å; E927-K930 WeakPolarHBondContact OE1-CE 3.48Å; E927-K930 IonicContact OE1-NZ 3.11Å; E927-K930 PolarHBondContact OE1-NZ 3.36Å; E927-K930 VanDerWaalsContact OE2-CD 3.31Å; E927-K930 WeakPolarHBondContact OE2-CD 3.49Å; E927-K930 IonicContact OE2-NZ 2.66Å; E927-K930 PolarHBondContact OE2-NZ 2.64Å; E927-K930 VanDerWaalsContact OE2-NZ 3.11Å |
| 928 | N | 74.8 | Confident | 65 | Low | 83 Ų | 83 | 91.2 Ų | 91.2 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -67 | -8.4 | 171.6 | -70.2 | -14 | 0 | 0 | 0 | 113.3 | L922 N925 P926 | L922-N928 HydrophobicContact CD2-CB 3.84Å; N925-N928 PolarHBondContact ND2-ND2 3.2Å; N925-N928 PolarHBondContact ND2-OD1 3.38Å; N925-N928 WeakPolarHBondContact O-CB 3.19Å; N925-N928 PolarHBondContact O-N 3.33Å; P926-N928 PolarHBondContact O-N 3.46Å |
| 929 | L | 75 | Confident | 61.8 | Low | 25 Ų | 25 | 94 Ų | 94 | 13% | 0.131 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -96.8 | 1.2 | 173.2 | -56.2 | 168 | 0 | 0 | 0 | 112.3 | V761 I762 V765 P891 L894 L922 P926 E927 | V761-L929 HydrophobicContact CG1-CD1 4.26Å; V761-L929 HydrophobicContact CG1-CD2 4.39Å; I762-L929 HydrophobicContact CD1-CD1 4.29Å; V765-L929 HydrophobicContact CG2-CD2 4.45Å; P891-L929 HydrophobicContact CB-CD2 4.08Å; P891-L929 HydrophobicContact CG-CB 4.26Å; P891-L929 HydrophobicContact CG-CD2 3.95Å; L894-L929 HydrophobicContact CG-CD2 4.49Å; L922-L929 HydrophobicContact CB-CD2 4.21Å; L922-L929 HydrophobicContact CD1-CD2 4.27Å; L922-L929 HydrophobicContact CD2-CD2 4.11Å; L922-L929 HydrophobicContact CG-CD2 4.43Å; P926-L929 VanDerWaalsContact O-CB 3.31Å; P926-L929 WeakPolarHBondContact O-CB 3.38Å; P926-L929 PolarHBondContact O-N 2.65Å; E927-L929 PolarHBondContact O-N 3.05Å; E927-L929 VanDerWaalsContact O-N 3.13Å |
| 930 | K | 62.5 | Low | 58.5 | Low | 147 Ų | 147 | 99.7 Ų | 99.7 | 64% | 0.639 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -114.7 | -0.8 | -169.4 | -69.6 | 179.6 | -178.7 | 168.9 | 0 | 116.6 | E927 | E927-K930 VanDerWaalsContact CD-NZ 3.29Å; E927-K930 PolarHBondContact O-N 3.12Å; E927-K930 WeakPolarHBondContact OE1-CE 3.48Å; E927-K930 IonicContact OE1-NZ 3.11Å; E927-K930 PolarHBondContact OE1-NZ 3.36Å; E927-K930 VanDerWaalsContact OE2-CD 3.31Å; E927-K930 WeakPolarHBondContact OE2-CD 3.49Å; E927-K930 IonicContact OE2-NZ 2.66Å; E927-K930 PolarHBondContact OE2-NZ 2.64Å; E927-K930 VanDerWaalsContact OE2-NZ 3.11Å |
| 931 | S | 41.3 | Very low | 55.7 | Low | 72 Ų | 72 | 103.8 Ų | 103.8 | 50% | 0.503 | 57% | 0.574 | S | S | . | * | trans | -105.7 | 146 | 168.7 | 60.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 932 | M | 39.7 | Very low | 53.4 | Low | 119 Ų | 119 | 103.1 Ų | 103.1 | 59% | 0.586 | 58% | 0.583 | S | S | * | * | cis | -154.9 | 126.5 | 24.1 | -145 | 159.8 | 76.5 | 0 | 0 | 111.3 | L935 | M932-L935 HydrophobicContact CE-CB 3.74Å; M932-L935 HydrophobicContact CG-CB 3.79Å; M932-L935 HydrophobicContact CG-CD1 4.1Å; M932-L935 HydrophobicContact CG-CG 4.32Å; M932-L935 HydrophobicContact SD-CB 3.55Å; M932-L935 VanDerWaalsContact SD-CB 3.55Å; M932-L935 HydrophobicContact SD-CD1 3.73Å; M932-L935 HydrophobicContact SD-CG 4.23Å | ||
| 933 | D | 28.9 | Very low | 50.4 | Low | 166 Ų | 166 | 110.8 Ų | 110.8 | 89% | 0.888 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -119.3 | 16 | 171.1 | -141.4 | -0.5 | 0 | 0 | 0 | 110.3 | ||
| 934 | T | 30.2 | Very low | 47.5 | Very low | 128 Ų | 128 | 117 Ų | 117 | 79% | 0.785 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -157.8 | 20.8 | -158.3 | -18.2 | 0 | 0 | 0 | 0 | 117.9 | ||
| 935 | L | 29.4 | Very low | 44.6 | Very low | 125 Ų | 125 | 117.6 Ų | 117.6 | 65% | 0.654 | 66% | 0.663 | S | S | * | * | trans | -137 | 32.3 | -178.2 | -81.8 | 170 | 0 | 0 | 0 | 115.2 | M932 S937 | M932-L935 HydrophobicContact CE-CB 3.74Å; M932-L935 HydrophobicContact CG-CB 3.79Å; M932-L935 HydrophobicContact CG-CD1 4.1Å; M932-L935 HydrophobicContact CG-CG 4.32Å; M932-L935 HydrophobicContact SD-CB 3.55Å; M932-L935 VanDerWaalsContact SD-CB 3.55Å; M932-L935 HydrophobicContact SD-CD1 3.73Å; M932-L935 HydrophobicContact SD-CG 4.23Å; L935-S937 PolarHBondContact O-N 2.92Å; L935-S937 VanDerWaalsContact O-N 3.16Å | ||
| 936 | C | 28.7 | Very low | 42 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 82% | 0.818 | 69% | 0.691 | S | S | * | * | trans | -83.2 | 35.8 | 171.4 | -69.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 937 | S | 32.7 | Very low | 39.7 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | trans | -135.7 | 118.5 | -179.3 | -165.2 | 0 | 0 | 0 | 0 | 112.2 | L935 | L935-S937 PolarHBondContact O-N 2.92Å; L935-S937 VanDerWaalsContact O-N 3.16Å | ||
| 938 | L | 30.2 | Very low | 38.2 | Very low | 161 Ų | 161 | 129 Ų | 129 | 84% | 0.843 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 81.8 | 116.4 | 166.1 | -59.7 | 162.5 | 0 | 0 | 0 | 119.1 | ||
| 939 | S | 26.5 | Very low | 37.1 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | trans | 102.2 | 96.2 | 147.4 | 72.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 940 | S | 24.9 | Very low | 36.1 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | 102.1 | 146.8 | 147.1 | -51.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 941 | P | 36.1 | Very low | 36 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | trans | -129.1 | -168.6 | -148.8 | 43 | -24.6 | 0 | 0 | 0 | 114.1 | ||||
| 942 | P | 41.8 | Very low | 36.8 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | -129.8 | 147.1 | -62.4 | 36.8 | -22.7 | 0 | 0 | 0 | 112.2 | |||||
| 943 | L | 28.4 | Very low | 37.6 | Very low | 169 Ų | 169 | 122 Ų | 122 | 89% | 0.885 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -164.3 | 122.3 | 145 | -105 | -177.4 | 0 | 0 | 0 | 110.9 | ||
| 944 | M | 30.6 | Very low | 39.4 | Very low | 190 Ų | 190 | 114.6 Ų | 114.6 | 94% | 0.936 | 66% | 0.657 | S | S | * | * | trans | 52.1 | 72 | 172.7 | -70.5 | -175 | 66.3 | 0 | 0 | 118 | ||||
| 945 | E | 29 | Very low | 41.4 | Very low | 186 Ų | 186 | 115.4 Ų | 115.4 | 87% | 0.869 | 66% | 0.657 | S | S | * | * | trans | -113.4 | 128.3 | 149.2 | -167.2 | 163.3 | -146.5 | 0 | 0 | 109.1 | ||||
| 946 | R | 33.7 | Very low | 44 | Very low | 250 Ų | 250 | 111.9 Ų | 111.9 | 94% | 0.943 | 64% | 0.642 | S | S | * | * | trans | -100 | 113.1 | -177 | -155.6 | 171.9 | -173.8 | 163.1 | 0.9 | 107.9 | ||||
| 947 | A | 33.3 | Very low | 46.7 | Very low | 86 Ų | 86 | 106.4 Ų | 106.4 | 71% | 0.711 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 154.5 | -162.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 948 | I | 44.7 | Very low | 49.2 | Very low | 131 Ų | 131 | 105.5 Ų | 105.5 | 67% | 0.672 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 125.5 | 158.8 | -59.9 | 170.1 | 0 | 0 | 0 | 107.8 | D950 | I948-D950 PolarHBondContact O-N 3.08Š|
| 949 | P | 50.8 | Low | 51.6 | Low | 55 Ų | 55 | 101.7 Ų | 101.7 | 36% | 0.357 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -64.1 | 126.7 | -179.6 | -21.8 | 32.8 | 0 | 0 | 0 | 111.9 | F951 T963 | P949-F951 HydrophobicContact CB-CD1 4.3Å; P949-F951 HydrophobicContact CB-CE1 3.87Å; P949-F951 HydrophobicContact CB-CZ 4.04Å; P949-F951 HydrophobicContact CG-CE1 4.42Å; P949-F951 HydrophobicContact CG-CZ 4.33Å; P949-F951 PolarHBondContact O-N 2.86Å; P949-F951 VanDerWaalsContact O-N 3.12Å; P949-T963 HydrophobicContact CB-CG2 3.55Å; P949-T963 HydrophobicContact CG-CG2 3.85Å |
| 950 | D | 54 | Low | 54.5 | Low | 88 Ų | 88 | 96.3 Ų | 96.3 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | trans | -76.8 | 94.5 | 167.6 | -178.3 | -1.5 | 0 | 0 | 0 | 108.8 | I948 S952 S953 | I948-D950 PolarHBondContact O-N 3.08Å; D950-S952 PolarHBondContact O-N 3.32Å; D950-S952 VanDerWaalsContact O-N 3.08Å; D950-S952 VanDerWaalsContact OD1-CB 3.31Å; D950-S952 WeakPolarHBondContact OD1-CB 3.4Å; D950-S952 PolarHBondContact OD1-N 3.18Å; D950-S952 PolarHBondContact OD1-OG 3.07Å; D950-S952 PolarHBondContact OD2-OG 3Å; D950-S953 WeakPolarHBondContact O-CB 3.41Å; D950-S953 PolarHBondContact O-N 3.47Å; D950-S953 PolarHBondContact O-OG 2.91Å | ||
| 951 | F | 61.5 | Low | 57.2 | Low | 15 Ų | 15 | 90.7 Ų | 90.7 | 7% | 0.066 | 49% | 0.494 | C | S | . | . | G | 310 helix | trans | -64.8 | -8.3 | 179 | -55.9 | -68.1 | 0 | 0 | 0 | 113.7 | P949 S953 C954 W960 T963 I964 S1009 L1012 M1013 | P949-F951 HydrophobicContact CB-CD1 4.3Å; P949-F951 HydrophobicContact CB-CE1 3.87Å; P949-F951 HydrophobicContact CB-CZ 4.04Å; P949-F951 HydrophobicContact CG-CE1 4.42Å; P949-F951 HydrophobicContact CG-CZ 4.33Å; P949-F951 PolarHBondContact O-N 2.86Å; P949-F951 VanDerWaalsContact O-N 3.12Å; F951-S953 PolarHBondContact O-N 2.94Å; F951-C954 PolarHBondContact O-N 3.34Å; F951-W960 AromaticContact CD1-CD1 3.77Å; F951-T963 HydrophobicContact CE1-CG2 4.11Å; F951-I964 HydrophobicContact CE1-CG2 3.82Å; F951-I964 HydrophobicContact CZ-CG2 4.18Å; F951-S1009 WeakPolarHBondContact CZ-OG 3.45Å; F951-L1012 HydrophobicContact CD2-CB 4.47Å; F951-L1012 HydrophobicContact CE2-CB 4.08Å; F951-L1012 HydrophobicContact CE2-CD1 4.31Å; F951-M1013 HydrophobicContact CB-CG 3.67Å; F951-M1013 HydrophobicContact CB-SD 4.16Å; F951-M1013 HydrophobicContact CD2-CG 4.04Å; F951-M1013 HydrophobicContact CG-CG 3.88Å; F951-M1013 HydrophobicContact CG-SD 4.47Å |
| 952 | S | 57.4 | Low | 59.2 | Low | 67 Ų | 67 | 89.2 Ų | 89.2 | 47% | 0.469 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -75.8 | -3.3 | 170.3 | 75.8 | 0 | 0 | 0 | 0 | 114.2 | D950 K1020 | D950-S952 PolarHBondContact O-N 3.32Å; D950-S952 VanDerWaalsContact O-N 3.08Å; D950-S952 VanDerWaalsContact OD1-CB 3.31Å; D950-S952 WeakPolarHBondContact OD1-CB 3.4Å; D950-S952 PolarHBondContact OD1-N 3.18Å; D950-S952 PolarHBondContact OD1-OG 3.07Å; D950-S952 PolarHBondContact OD2-OG 3Å; S952-K1020 PolarHBondContact OG-NZ 3.39Å |
| 953 | S | 56.4 | Low | 60.8 | Low | 74 Ų | 74 | 86.7 Ų | 86.7 | 52% | 0.517 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -92.2 | -17.6 | 169.7 | 66.3 | 0 | 0 | 0 | 0 | 114.7 | D950 F951 N955 | D950-S953 WeakPolarHBondContact O-CB 3.41Å; D950-S953 PolarHBondContact O-N 3.47Å; D950-S953 PolarHBondContact O-OG 2.91Å; F951-S953 PolarHBondContact O-N 2.94Å; S953-N955 PolarHBondContact O-N 3.01Å; S953-N955 PolarHBondContact O-ND2 3.25Å; S953-N955 VanDerWaalsContact O-ND2 3.12Å |
| 954 | C | 66.8 | Low | 63.1 | Low | 11 Ų | 11 | 79.2 Ų | 79.2 | 7% | 0.074 | 42% | 0.423 | C | S | . | . | trans | -73.7 | 125.5 | 179.7 | -63.2 | 0 | 0 | 0 | 0 | 109.7 | F951 W960 L981 | F951-C954 PolarHBondContact O-N 3.34Å; C954-W960 HydrophobicContact CB-CB 4.27Å; C954-L981 HydrophobicContact CB-CD1 3.88Å; C954-L981 WeakPolarHBondContact O-CD1 3.49Å | ||
| 955 | N | 72.3 | Confident | 64.8 | Low | 145 Ų | 145 | 78.5 Ų | 78.5 | 78% | 0.775 | 42% | 0.415 | S | S | * | . | trans | -100.1 | -11.8 | -179.8 | -63.5 | -74.6 | 0 | 0 | 0 | 112.7 | S953 E959 | S953-N955 PolarHBondContact O-N 3.01Å; S953-N955 PolarHBondContact O-ND2 3.25Å; S953-N955 VanDerWaalsContact O-ND2 3.12Å; N955-E959 PolarHBondContact N-OE2 3.18Å | ||
| 956 | S | 84.1 | Confident | 67.4 | Low | 50 Ų | 50 | 70 Ų | 70 | 35% | 0.35 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -139.6 | 161.4 | -179.6 | 69.1 | 0 | 0 | 0 | 0 | 112.8 | D958 E959 W960 | S956-D958 VanDerWaalsContact C-N 3.29Å; S956-E959 WeakPolarHBondContact OG-CB 3.33Å; S956-E959 PolarHBondContact OG-N 2.92Å; S956-E959 VanDerWaalsContact OG-N 3.13Å; S956-W960 PolarHBondContact O-N 2.88Å |
| 957 | V | 86.1 | Confident | 69.3 | Low | 6 Ų | 6 | 59.1 Ų | 59.1 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.9 | -33.3 | 173.9 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | W960 L961 F973 F978 L981 V984 | V957-W960 HydrophobicContact CG1-CE3 4.01Å; V957-W960 HydrophobicContact CG1-CZ3 4.23Å; V957-W960 PolarHBondContact O-N 2.83Å; V957-L961 HydrophobicContact CG1-CD1 4.11Å; V957-L961 HydrophobicContact CG1-CG 4.38Å; V957-L961 WeakPolarHBondContact O-CB 3.22Å; V957-L961 VanDerWaalsContact O-CG 3.31Å; V957-L961 WeakPolarHBondContact O-CG 3.47Å; V957-L961 PolarHBondContact O-N 2.04Å; V957-F973 HydrophobicContact CG1-CB 4.25Å; V957-F973 HydrophobicContact CG1-CD1 3.91Å; V957-F973 HydrophobicContact CG1-CG 4.47Å; V957-F978 WeakPolarHBondContact CG2-O 3.48Å; V957-L981 HydrophobicContact CG2-CD2 4.21Å; V957-L981 HydrophobicContact CG2-CG 4.45Å; V957-V984 HydrophobicContact CB-CG2 4.4Å; V957-V984 HydrophobicContact CG1-CG2 3.85Å; V957-V984 HydrophobicContact CG2-CG2 3.67Å |
| 958 | D | 84 | Confident | 71.5 | Confident | 73 Ų | 73 | 62 Ų | 62 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.3 | -44.6 | 178.7 | -72.2 | -1.4 | 0 | 0 | 0 | 112.6 | S956 W960 L961 D962 K970 | S956-D958 VanDerWaalsContact C-N 3.29Å; D958-W960 VanDerWaalsContact C-N 3.35Å; D958-L961 PolarHBondContact O-N 3.12Å; D958-D962 PolarHBondContact O-N 3.03Å; D958-K970 HydrophobicContact CB-CD 3.87Å; D958-K970 HydrophobicContact CB-CG 4.12Å; D958-K970 VanDerWaalsContact O-CE 3.28Å; D958-K970 WeakPolarHBondContact O-CE 3.24Å; D958-K970 WeakPolarHBondContact OD1-CG 3.37Å |
| 959 | E | 80.6 | Confident | 73.4 | Confident | 81 Ų | 81 | 56.5 Ų | 56.5 | 38% | 0.379 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 176.1 | -179 | 177.1 | -148.6 | 0 | 0 | 111.6 | N955 S956 D962 T963 | N955-E959 PolarHBondContact N-OE2 3.18Å; S956-E959 WeakPolarHBondContact OG-CB 3.33Å; S956-E959 PolarHBondContact OG-N 2.92Å; S956-E959 VanDerWaalsContact OG-N 3.13Å; E959-D962 PolarHBondContact O-N 3.3Å; E959-T963 VanDerWaalsContact O-CB 3.31Å; E959-T963 WeakPolarHBondContact O-CB 3.32Å; E959-T963 PolarHBondContact O-N 3.37Å; E959-T963 PolarHBondContact O-OG1 2.66Å |
| 960 | W | 87.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 172.1 | 164.9 | 70.7 | 0 | 0 | 0 | 112 | F951 C954 S956 V957 D958 D962 T963 I964 F973 L981 V984 I1006 S1009 V1010 M1013 | F951-W960 AromaticContact CD1-CD1 3.77Å; C954-W960 HydrophobicContact CB-CB 4.27Å; S956-W960 PolarHBondContact O-N 2.88Å; V957-W960 HydrophobicContact CG1-CE3 4.01Å; V957-W960 HydrophobicContact CG1-CZ3 4.23Å; V957-W960 PolarHBondContact O-N 2.83Å; D958-W960 VanDerWaalsContact C-N 3.35Å; W960-D962 VanDerWaalsContact C-N 3.33Å; W960-D962 PolarHBondContact O-N 3.14Å; W960-T963 WeakPolarHBondContact O-CB 3.48Å; W960-T963 PolarHBondContact O-N 2.99Å; W960-I964 HydrophobicContact CH2-CD1 4.27Å; W960-I964 HydrophobicContact CZ2-CD1 3.78Å; W960-I964 WeakPolarHBondContact O-CG1 3.38Å; W960-I964 PolarHBondContact O-N 3.22Å; W960-F973 AromaticContact CH2-CE1 3.85Å; W960-F973 HydrophobicContact CH2-CE1 3.85Å; W960-F973 HydrophobicContact CH2-CZ 4.36Å; W960-F973 HydrophobicContact CZ3-CD1 4.03Å; W960-F973 AromaticContact CZ3-CE1 3.51Å; W960-F973 HydrophobicContact CZ3-CE1 3.51Å; W960-F973 HydrophobicContact CZ3-CZ 4.28Å; W960-L981 HydrophobicContact CB-CD2 3.67Å; W960-L981 HydrophobicContact CD2-CD2 4.28Å; W960-L981 HydrophobicContact CE3-CD2 4.5Å; W960-L981 HydrophobicContact CG-CD2 3.93Å; W960-V984 HydrophobicContact CD2-CG1 4.31Å; W960-V984 HydrophobicContact CE3-CG1 3.96Å; W960-V984 HydrophobicContact CE3-CG2 4.36Å; W960-V984 HydrophobicContact CH2-CG1 3.33Å; W960-V984 HydrophobicContact CZ2-CG1 3.74Å; W960-V984 HydrophobicContact CZ3-CB 4.4Å; W960-V984 HydrophobicContact CZ3-CG1 3.48Å; W960-V984 VanDerWaalsContact CZ3-CG1 3.48Å; W960-V984 HydrophobicContact CZ3-CG2 4Å; W960-I1006 HydrophobicContact CH2-CG2 4.02Å; W960-S1009 PolarHBondContact NE1-OG 3.48Å; W960-V1010 HydrophobicContact CH2-CG2 4.21Å; W960-V1010 HydrophobicContact CZ2-CG2 4.05Å; W960-M1013 HydrophobicContact CD2-CE 4.15Å; W960-M1013 VanDerWaalsContact CE2-CE 3.43Å; W960-M1013 HydrophobicContact CG-CE 4.45Å; W960-M1013 HydrophobicContact CG-SD 4.44Å; W960-M1013 HydrophobicContact CZ2-CE 3.67Å; W960-M1013 VanDerWaalsContact NE1-CE 3.31Å |
| 961 | L | 82.4 | Confident | 76.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60 | -41.4 | 176.7 | -77.7 | 173.4 | 0 | 0 | 0 | 111.6 | V957 D958 I964 K965 M966 G967 K970 F973 | V957-L961 HydrophobicContact CG1-CD1 4.11Å; V957-L961 HydrophobicContact CG1-CG 4.38Å; V957-L961 WeakPolarHBondContact O-CB 3.22Å; V957-L961 VanDerWaalsContact O-CG 3.31Å; V957-L961 WeakPolarHBondContact O-CG 3.47Å; V957-L961 PolarHBondContact O-N 2.04Å; D958-L961 PolarHBondContact O-N 3.12Å; L961-I964 HydrophobicContact CD2-CD1 4.42Å; L961-I964 WeakPolarHBondContact O-CG1 3.41Å; L961-I964 PolarHBondContact O-N 3.19Å; L961-K965 PolarHBondContact O-N 3.42Å; L961-M966 HydrophobicContact CD2-CB 3.94Å; L961-M966 CarbonylContact O-C 3.59Å; L961-M966 WeakPolarHBondContact O-CA 3.37Å; L961-M966 PolarHBondContact O-N 2.96Å; L961-G967 PolarHBondContact O-N 3.43Å; L961-K970 HydrophobicContact CB-CG 4.35Å; L961-K970 HydrophobicContact CD1-CB 4.37Å; L961-K970 HydrophobicContact CD1-CG 3.84Å; L961-F973 HydrophobicContact CD1-CB 4.16Å; L961-F973 HydrophobicContact CD1-CD1 4.31Å; L961-F973 HydrophobicContact CD1-CD2 4.24Å; L961-F973 HydrophobicContact CD1-CG 3.98Å; L961-F973 HydrophobicContact CD2-CE1 4.32Å; L961-F973 HydrophobicContact CD2-CE2 4.3Å; L961-F973 HydrophobicContact CD2-CZ 4.2Å |
| 962 | D | 77.5 | Confident | 77.5 | Confident | 85 Ų | 85 | 63.2 Ų | 63.2 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | 174 | -74.5 | -17.2 | 0 | 0 | 0 | 112 | D958 E959 W960 I964 K965 G967 K970 | D958-D962 PolarHBondContact O-N 3.03Å; E959-D962 PolarHBondContact O-N 3.3Å; W960-D962 VanDerWaalsContact C-N 3.33Å; W960-D962 PolarHBondContact O-N 3.14Å; D962-I964 VanDerWaalsContact C-N 3.3Å; D962-I964 PolarHBondContact O-N 3.4Å; D962-K965 WeakPolarHBondContact O-CA 3.04Å; D962-K965 PolarHBondContact O-N 2.99Å; D962-G967 VanDerWaalsContact OD1-CA 3.32Å; D962-G967 WeakPolarHBondContact OD1-CA 3.33Å; D962-K970 VanDerWaalsContact CG-CE 3.44Å; D962-K970 WeakPolarHBondContact OD1-CE 3.48Å; D962-K970 IonicContact OD1-NZ 2.84Å; D962-K970 PolarHBondContact OD1-NZ 2.89Å; D962-K970 VanDerWaalsContact OD1-NZ 3.15Å; D962-K970 WeakPolarHBondContact OD2-CE 3.35Å; D962-K970 IonicContact OD2-NZ 3.21Å; D962-K970 PolarHBondContact OD2-NZ 3.34Å |
| 963 | T | 76.1 | Confident | 79.1 | Confident | 58 Ų | 58 | 60 Ų | 60 | 36% | 0.356 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58 | -41.5 | 177.3 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | P949 F951 E959 W960 K965 | P949-T963 HydrophobicContact CB-CG2 3.55Å; P949-T963 HydrophobicContact CG-CG2 3.85Å; F951-T963 HydrophobicContact CE1-CG2 4.11Å; E959-T963 VanDerWaalsContact O-CB 3.31Å; E959-T963 WeakPolarHBondContact O-CB 3.32Å; E959-T963 PolarHBondContact O-N 3.37Å; E959-T963 PolarHBondContact O-OG1 2.66Å; W960-T963 WeakPolarHBondContact O-CB 3.48Å; W960-T963 PolarHBondContact O-N 2.99Å; T963-K965 VanDerWaalsContact C-N 3.26Å; T963-K965 PolarHBondContact O-N 3.24Å |
| 964 | I | 76.1 | Confident | 80.4 | Confident | 13 Ų | 13 | 58.6 Ų | 58.6 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 8.1 | 173.8 | 69.3 | 167.6 | 0 | 0 | 0 | 113.7 | F951 W960 L961 D962 M966 K1005 I1006 S1009 | F951-I964 HydrophobicContact CE1-CG2 3.82Å; F951-I964 HydrophobicContact CZ-CG2 4.18Å; W960-I964 HydrophobicContact CH2-CD1 4.27Å; W960-I964 HydrophobicContact CZ2-CD1 3.78Å; W960-I964 WeakPolarHBondContact O-CG1 3.38Å; W960-I964 PolarHBondContact O-N 3.22Å; L961-I964 HydrophobicContact CD2-CD1 4.42Å; L961-I964 WeakPolarHBondContact O-CG1 3.41Å; L961-I964 PolarHBondContact O-N 3.19Å; D962-I964 VanDerWaalsContact C-N 3.3Å; D962-I964 PolarHBondContact O-N 3.4Å; I964-M966 VanDerWaalsContact C-N 3.27Å; I964-M966 HydrophobicContact CD1-CB 4.02Å; I964-M966 HydrophobicContact CD1-CG 3.71Å; I964-M966 HydrophobicContact CG1-CB 3.84Å; I964-M966 HydrophobicContact CG1-CG 3.71Å; I964-M966 PolarHBondContact O-N 2.93Å; I964-K1005 WeakPolarHBondContact O-CE 3.37Å; I964-K1005 PolarHBondContact O-NZ 3.45Å; I964-I1006 HydrophobicContact CD1-CG1 4.1Å; I964-S1009 WeakPolarHBondContact CG2-OG 3.42Å |
| 965 | K | 67.8 | Low | 81.2 | Confident | 174 Ų | 174 | 62.5 Ų | 62.5 | 76% | 0.757 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 34.7 | -177.7 | -54.1 | -174.5 | 177.8 | -176.7 | 0 | 114.1 | L961 D962 T963 | L961-K965 PolarHBondContact O-N 3.42Å; D962-K965 WeakPolarHBondContact O-CA 3.04Å; D962-K965 PolarHBondContact O-N 2.99Å; T963-K965 VanDerWaalsContact C-N 3.26Å; T963-K965 PolarHBondContact O-N 3.24Å |
| 966 | M | 83.5 | Confident | 81.7 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.039 | 31% | 0.312 | C | S | . | . | trans | -113.6 | 15.2 | 177.2 | -62.3 | -73.6 | 92 | 0 | 0 | 112.7 | L961 I964 R968 Y969 H1002 K1005 I1006 | L961-M966 HydrophobicContact CD2-CB 3.94Å; L961-M966 CarbonylContact O-C 3.59Å; L961-M966 WeakPolarHBondContact O-CA 3.37Å; L961-M966 PolarHBondContact O-N 2.96Å; I964-M966 VanDerWaalsContact C-N 3.27Å; I964-M966 HydrophobicContact CD1-CB 4.02Å; I964-M966 HydrophobicContact CD1-CG 3.71Å; I964-M966 HydrophobicContact CG1-CB 3.84Å; I964-M966 HydrophobicContact CG1-CG 3.71Å; I964-M966 PolarHBondContact O-N 2.93Å; M966-R968 PolarHBondContact O-N 3.27Å; M966-Y969 HydrophobicContact CB-CD2 4.21Å; M966-Y969 PolarHBondContact O-N 3.44Å; M966-Y969 HydrophobicContact SD-CD2 4.39Å; M966-Y969 HydrophobicContact SD-CE2 4.21Å; M966-H1002 HydrophobicContact SD-CB 3.7Å; M966-K1005 HydrophobicContact CE-CD 3.96Å; M966-K1005 HydrophobicContact CG-CD 4.26Å; M966-K1005 HydrophobicContact SD-CD 4.11Å; M966-I1006 HydrophobicContact CB-CG1 4.42Å; M966-I1006 HydrophobicContact CG-CD1 4.46Å; M966-I1006 HydrophobicContact CG-CG1 3.95Å; M966-I1006 HydrophobicContact SD-CD1 4.45Å; M966-I1006 HydrophobicContact SD-CG1 4.28Å | ||
| 967 | G | 73.6 | Confident | 81.8 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 22% | 0.216 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -51.8 | -21.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | L961 D962 Y969 K970 | L961-G967 PolarHBondContact O-N 3.43Å; D962-G967 VanDerWaalsContact OD1-CA 3.32Å; D962-G967 WeakPolarHBondContact OD1-CA 3.33Å; G967-Y969 PolarHBondContact O-N 3.25Å; G967-Y969 VanDerWaalsContact O-N 3.1Å; G967-K970 WeakPolarHBondContact O-CD 3.5Å; G967-K970 WeakPolarHBondContact O-CG 3.43Å; G967-K970 PolarHBondContact O-N 3.14Å |
| 968 | R | 78.2 | Confident | 81.9 | Confident | 147 Ų | 147 | 57.5 Ų | 57.5 | 56% | 0.555 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -57.4 | -16.9 | 168.5 | 72.1 | -146.8 | -90.2 | -171.5 | -176.9 | 114.9 | M966 H1002 | M966-R968 PolarHBondContact O-N 3.27Å; R968-H1002 PolarHBondContact NH1-CE1 3.03Å; R968-H1002 PolarHBondContact NH2-CE1 2.85Å; R968-H1002 PolarHBondContact NH2-NE2 3.5Å; R968-H1002 VanDerWaalsContact NH2-NE2 3.18Å |
| 969 | Y | 84.9 | Confident | 81.8 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -102.9 | 8.6 | -177.7 | -63.1 | -62.3 | 0 | 0 | 0 | 113.1 | M966 G967 H972 F973 V997 H1002 I1006 | M966-Y969 HydrophobicContact CB-CD2 4.21Å; M966-Y969 PolarHBondContact O-N 3.44Å; M966-Y969 HydrophobicContact SD-CD2 4.39Å; M966-Y969 HydrophobicContact SD-CE2 4.21Å; G967-Y969 PolarHBondContact O-N 3.25Å; G967-Y969 VanDerWaalsContact O-N 3.1Å; Y969-H972 WeakPolarHBondContact O-CB 3.48Å; Y969-H972 PolarHBondContact O-N 2.85Å; Y969-F973 VanDerWaalsContact O-CD2 3.22Å; Y969-F973 WeakPolarHBondContact O-CD2 3.05Å; Y969-F973 PolarHBondContact O-N 2.98Å; Y969-V997 HydrophobicContact CD1-CG2 3.85Å; Y969-V997 HydrophobicContact CE1-CB 4.34Å; Y969-V997 HydrophobicContact CE1-CG1 4.22Å; Y969-V997 HydrophobicContact CE1-CG2 3.95Å; Y969-V997 HydrophobicContact CE2-CG1 4.09Å; Y969-V997 HydrophobicContact CG-CG2 4.14Å; Y969-H1002 HydrophobicContact CE2-CB 3.91Å; Y969-H1002 AromaticContact CE2-CG 3.97Å; Y969-H1002 AromaticContact CE2-ND1 3.77Å; Y969-H1002 AromaticContact CZ-ND1 3.78Å; Y969-H1002 PolarHBondContact OH-ND1 3.46Å; Y969-I1006 HydrophobicContact CD2-CD1 4.22Å |
| 970 | K | 87 | Confident | 82 | Confident | 56 Ų | 56 | 59.4 Ų | 59.4 | 24% | 0.243 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.4 | -54.3 | 179.1 | -74.1 | 173.6 | -178.8 | -172 | 0 | 112.7 | D958 L961 D962 G967 H972 F973 A974 | D958-K970 HydrophobicContact CB-CD 3.87Å; D958-K970 HydrophobicContact CB-CG 4.12Å; D958-K970 VanDerWaalsContact O-CE 3.28Å; D958-K970 WeakPolarHBondContact O-CE 3.24Å; D958-K970 WeakPolarHBondContact OD1-CG 3.37Å; L961-K970 HydrophobicContact CB-CG 4.35Å; L961-K970 HydrophobicContact CD1-CB 4.37Å; L961-K970 HydrophobicContact CD1-CG 3.84Å; D962-K970 VanDerWaalsContact CG-CE 3.44Å; D962-K970 WeakPolarHBondContact OD1-CE 3.48Å; D962-K970 IonicContact OD1-NZ 2.84Å; D962-K970 PolarHBondContact OD1-NZ 2.89Å; D962-K970 VanDerWaalsContact OD1-NZ 3.15Å; D962-K970 WeakPolarHBondContact OD2-CE 3.35Å; D962-K970 IonicContact OD2-NZ 3.21Å; D962-K970 PolarHBondContact OD2-NZ 3.34Å; G967-K970 WeakPolarHBondContact O-CD 3.5Å; G967-K970 WeakPolarHBondContact O-CG 3.43Å; G967-K970 PolarHBondContact O-N 3.14Å; K970-H972 VanDerWaalsContact C-N 3.28Å; K970-H972 PolarHBondContact O-N 3.36Å; K970-F973 PolarHBondContact O-N 3Å; K970-F973 VanDerWaalsContact O-N 3.12Å; K970-A974 WeakPolarHBondContact O-CB 3.06Å; K970-A974 PolarHBondContact O-N 3.16Å |
| 971 | E | 79.8 | Confident | 81.7 | Confident | 161 Ų | 161 | 60.8 Ų | 60.8 | 75% | 0.752 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.2 | -38.9 | 178.6 | -65.1 | 178.9 | -174.9 | 0 | 0 | 112 | A974 A975 | E971-A974 PolarHBondContact O-N 2.75Å; E971-A975 VanDerWaalsContact O-CB 3.25Å; E971-A975 WeakPolarHBondContact O-CB 3.1Å; E971-A975 PolarHBondContact O-N 3.27Å |
| 972 | H | 85.5 | Confident | 81.6 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 38% | 0.38 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 174.8 | -68.8 | -98.1 | 0 | 0 | 0 | 112.2 | Y969 K970 G976 L995 | Y969-H972 WeakPolarHBondContact O-CB 3.48Å; Y969-H972 PolarHBondContact O-N 2.85Å; K970-H972 VanDerWaalsContact C-N 3.28Å; K970-H972 PolarHBondContact O-N 3.36Å; H972-G976 PolarHBondContact O-N 2.88Å; H972-L995 WeakPolarHBondContact CB-O 3.48Å; H972-L995 PolarHBondContact ND1-O 3.24Å; H972-L995 WeakPolarHBondContact O-CD2 3.39Å |
| 973 | F | 91 | Very high | 81.8 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.3 | -39.8 | 178.5 | -86.7 | -121 | 0 | 0 | 0 | 111.9 | V957 W960 L961 Y969 K970 G976 G977 F978 V984 M987 L995 I1006 | V957-F973 HydrophobicContact CG1-CB 4.25Å; V957-F973 HydrophobicContact CG1-CD1 3.91Å; V957-F973 HydrophobicContact CG1-CG 4.47Å; W960-F973 AromaticContact CH2-CE1 3.85Å; W960-F973 HydrophobicContact CH2-CE1 3.85Å; W960-F973 HydrophobicContact CH2-CZ 4.36Å; W960-F973 HydrophobicContact CZ3-CD1 4.03Å; W960-F973 AromaticContact CZ3-CE1 3.51Å; W960-F973 HydrophobicContact CZ3-CE1 3.51Å; W960-F973 HydrophobicContact CZ3-CZ 4.28Å; L961-F973 HydrophobicContact CD1-CB 4.16Å; L961-F973 HydrophobicContact CD1-CD1 4.31Å; L961-F973 HydrophobicContact CD1-CD2 4.24Å; L961-F973 HydrophobicContact CD1-CG 3.98Å; L961-F973 HydrophobicContact CD2-CE1 4.32Å; L961-F973 HydrophobicContact CD2-CE2 4.3Å; L961-F973 HydrophobicContact CD2-CZ 4.2Å; Y969-F973 VanDerWaalsContact O-CD2 3.22Å; Y969-F973 WeakPolarHBondContact O-CD2 3.05Å; Y969-F973 PolarHBondContact O-N 2.98Å; K970-F973 PolarHBondContact O-N 3Å; K970-F973 VanDerWaalsContact O-N 3.12Å; F973-G976 PolarHBondContact O-N 3.03Å; F973-G977 PolarHBondContact O-N 3.39Å; F973-F978 HydrophobicContact CB-CB 4.32Å; F973-F978 HydrophobicContact CD1-CB 4.02Å; F973-F978 WeakPolarHBondContact O-CB 3.41Å; F973-F978 PolarHBondContact O-N 2.05Å; F973-V984 HydrophobicContact CD1-CG2 4.37Å; F973-M987 HydrophobicContact CD1-CE 4.09Å; F973-M987 HydrophobicContact CE1-CE 3.4Å; F973-M987 HydrophobicContact CE1-SD 4.23Å; F973-M987 HydrophobicContact CZ-CE 4.05Å; F973-M987 HydrophobicContact CZ-SD 4.44Å; F973-L995 HydrophobicContact CD1-CD1 4.27Å; F973-L995 HydrophobicContact CD2-CD1 3.7Å; F973-L995 HydrophobicContact CE1-CD1 4.16Å; F973-L995 HydrophobicContact CE2-CD1 3.58Å; F973-L995 HydrophobicContact CG-CD1 4.05Å; F973-L995 HydrophobicContact CZ-CD1 3.81Å; F973-I1006 HydrophobicContact CE1-CG2 4.46Å; F973-I1006 HydrophobicContact CE2-CD1 4.17Å; F973-I1006 HydrophobicContact CZ-CD1 4.11Å; F973-I1006 HydrophobicContact CZ-CG2 3.77Å |
| 974 | A | 84.6 | Confident | 82.4 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K970 E971 G976 G977 H979 | K970-A974 WeakPolarHBondContact O-CB 3.06Å; K970-A974 PolarHBondContact O-N 3.16Å; E971-A974 PolarHBondContact O-N 2.75Å; A974-G976 PolarHBondContact O-N 3.28Å; A974-G977 PolarHBondContact O-N 3.12Å; A974-G977 VanDerWaalsContact O-N 3.12Å; A974-H979 PolarHBondContact O-CE1 3.03Å |
| 975 | A | 82.7 | Confident | 82.8 | Confident | 93 Ų | 93 | 62.1 Ų | 62.1 | 77% | 0.769 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.9 | -30.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E971 G977 | E971-A975 VanDerWaalsContact O-CB 3.25Å; E971-A975 WeakPolarHBondContact O-CB 3.1Å; E971-A975 PolarHBondContact O-N 3.27Å; A975-G977 VanDerWaalsContact C-N 3.34Å |
| 976 | G | 83.7 | Confident | 83.5 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | H972 F973 A974 F978 | H972-G976 PolarHBondContact O-N 2.88Å; F973-G976 PolarHBondContact O-N 3.03Å; A974-G976 PolarHBondContact O-N 3.28Å; G976-F978 WeakPolarHBondContact O-CD2 3.27Å |
| 977 | G | 84.3 | Confident | 83.6 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 32% | 0.32 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 6.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | F973 A974 A975 H979 H983 | F973-G977 PolarHBondContact O-N 3.39Å; A974-G977 PolarHBondContact O-N 3.12Å; A974-G977 VanDerWaalsContact O-N 3.12Å; A975-G977 VanDerWaalsContact C-N 3.34Å; G977-H979 PolarHBondContact O-CD2 3.39Å; G977-H979 PolarHBondContact O-N 2.96Å; G977-H983 PolarHBondContact O-ND1 2.95Å |
| 978 | F | 88.2 | Confident | 84.1 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 12% | 0.118 | 36% | 0.356 | C | S | . | . | trans | -85.6 | 61.6 | 178.9 | -66.6 | -82.4 | 0 | 0 | 0 | 111.2 | V957 F973 G976 H983 V984 M987 D991 L995 | V957-F978 WeakPolarHBondContact CG2-O 3.48Å; F973-F978 HydrophobicContact CB-CB 4.32Å; F973-F978 HydrophobicContact CD1-CB 4.02Å; F973-F978 WeakPolarHBondContact O-CB 3.41Å; F973-F978 PolarHBondContact O-N 2.05Å; G976-F978 WeakPolarHBondContact O-CD2 3.27Å; F978-H983 HydrophobicContact CD1-CB 3.83Å; F978-H983 WeakPolarHBondContact CD1-O 3.08Å; F978-H983 HydrophobicContact CE1-CB 4.47Å; F978-H983 WeakPolarHBondContact CE1-O 3.29Å; F978-V984 HydrophobicContact CB-CG2 4.22Å; F978-V984 HydrophobicContact CD1-CG2 4.48Å; F978-M987 HydrophobicContact CD1-CB 4.47Å; F978-M987 HydrophobicContact CD1-CE 3.54Å; F978-M987 HydrophobicContact CD2-CE 4.29Å; F978-M987 HydrophobicContact CE1-CB 3.68Å; F978-M987 HydrophobicContact CE1-CE 3.67Å; F978-M987 HydrophobicContact CE2-CE 4.37Å; F978-M987 HydrophobicContact CG-CE 3.88Å; F978-M987 HydrophobicContact CZ-CB 4.12Å; F978-M987 HydrophobicContact CZ-CE 4.09Å; F978-D991 HydrophobicContact CE2-CB 4.42Å; F978-D991 HydrophobicContact CZ-CB 3.95Å; F978-L995 HydrophobicContact CD2-CD1 3.91Å; F978-L995 HydrophobicContact CD2-CD2 3.86Å; F978-L995 HydrophobicContact CD2-CG 4.44Å; F978-L995 HydrophobicContact CE2-CD1 4.02Å; F978-L995 HydrophobicContact CE2-CD2 3.96Å; F978-L995 HydrophobicContact CE2-CG 4.33Å | ||
| 979 | H | 82.5 | Confident | 84.1 | Confident | 127 Ų | 127 | 60 Ų | 60 | 59% | 0.588 | 35% | 0.345 | S | S | * | . | trans | -80.4 | -15 | -177.9 | -53.1 | -65.5 | 0 | 0 | 0 | 114.5 | A974 G977 | A974-H979 PolarHBondContact O-CE1 3.03Å; G977-H979 PolarHBondContact O-CD2 3.39Å; G977-H979 PolarHBondContact O-N 2.96Å | ||
| 980 | T | 84.4 | Confident | 83.6 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 41% | 0.405 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -129.1 | 150.9 | -177.1 | 71 | 0 | 0 | 0 | 0 | 111.6 | G982 H983 V984 | T980-G982 PolarHBondContact O-N 2.93Å; T980-H983 WeakPolarHBondContact O-CB 3.38Å; T980-H983 PolarHBondContact O-N 3.38Å; T980-H983 PolarHBondContact OG1-CD2 3.31Å; T980-H983 VanDerWaalsContact OG1-CD2 3.24Å; T980-H983 PolarHBondContact OG1-N 3.07Å; T980-V984 PolarHBondContact O-N 2.82Å; T980-V984 VanDerWaalsContact O-N 3.07Å |
| 981 | L | 82 | Confident | 83.5 | Confident | 29 Ų | 29 | 59.4 Ų | 59.4 | 15% | 0.152 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.4 | -25.4 | 173.4 | -68.1 | 172.6 | 0 | 0 | 0 | 112.2 | C954 V957 W960 V984 I985 M1013 | C954-L981 HydrophobicContact CB-CD1 3.88Å; C954-L981 WeakPolarHBondContact O-CD1 3.49Å; V957-L981 HydrophobicContact CG2-CD2 4.21Å; V957-L981 HydrophobicContact CG2-CG 4.45Å; W960-L981 HydrophobicContact CB-CD2 3.67Å; W960-L981 HydrophobicContact CD2-CD2 4.28Å; W960-L981 HydrophobicContact CE3-CD2 4.5Å; W960-L981 HydrophobicContact CG-CD2 3.93Å; L981-V984 PolarHBondContact O-N 3.48Å; L981-I985 WeakPolarHBondContact O-CB 3.46Å; L981-I985 WeakPolarHBondContact O-CD1 3.5Å; L981-I985 WeakPolarHBondContact O-CG1 3.19Å; L981-I985 PolarHBondContact O-N 2.64Å; L981-M1013 HydrophobicContact CD2-SD 4.37Å |
| 982 | G | 79.3 | Confident | 83.7 | Confident | 49 Ų | 49 | 51.8 Ų | 51.8 | 51% | 0.505 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T980 V984 I985 S986 | T980-G982 PolarHBondContact O-N 2.93Å; G982-V984 VanDerWaalsContact C-N 3.35Å; G982-I985 PolarHBondContact O-N 3.04Å; G982-S986 PolarHBondContact O-N 3.04Å |
| 983 | H | 83.2 | Confident | 83.3 | Confident | 89 Ų | 89 | 52.9 Ų | 52.9 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 173.4 | -62.7 | -177.8 | 0 | 0 | 0 | 110.9 | G977 F978 T980 S986 M987 | G977-H983 PolarHBondContact O-ND1 2.95Å; F978-H983 HydrophobicContact CD1-CB 3.83Å; F978-H983 WeakPolarHBondContact CD1-O 3.08Å; F978-H983 HydrophobicContact CE1-CB 4.47Å; F978-H983 WeakPolarHBondContact CE1-O 3.29Å; T980-H983 WeakPolarHBondContact O-CB 3.38Å; T980-H983 PolarHBondContact O-N 3.38Å; T980-H983 PolarHBondContact OG1-CD2 3.31Å; T980-H983 VanDerWaalsContact OG1-CD2 3.24Å; T980-H983 PolarHBondContact OG1-N 3.07Å; H983-S986 PolarHBondContact O-N 3.21Å; H983-S986 PolarHBondContact O-OG 2.66Å; H983-M987 PolarHBondContact O-N 3.05Å |
| 984 | V | 87.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 177 | 172 | 0 | 0 | 0 | 0 | 111.5 | V957 W960 F973 F978 T980 L981 G982 S986 M987 V1010 M1013 | V957-V984 HydrophobicContact CB-CG2 4.4Å; V957-V984 HydrophobicContact CG1-CG2 3.85Å; V957-V984 HydrophobicContact CG2-CG2 3.67Å; W960-V984 HydrophobicContact CD2-CG1 4.31Å; W960-V984 HydrophobicContact CE3-CG1 3.96Å; W960-V984 HydrophobicContact CE3-CG2 4.36Å; W960-V984 HydrophobicContact CH2-CG1 3.33Å; W960-V984 HydrophobicContact CZ2-CG1 3.74Å; W960-V984 HydrophobicContact CZ3-CB 4.4Å; W960-V984 HydrophobicContact CZ3-CG1 3.48Å; W960-V984 VanDerWaalsContact CZ3-CG1 3.48Å; W960-V984 HydrophobicContact CZ3-CG2 4Å; F973-V984 HydrophobicContact CD1-CG2 4.37Å; F978-V984 HydrophobicContact CB-CG2 4.22Å; F978-V984 HydrophobicContact CD1-CG2 4.48Å; T980-V984 PolarHBondContact O-N 2.82Å; T980-V984 VanDerWaalsContact O-N 3.07Å; L981-V984 PolarHBondContact O-N 3.48Å; G982-V984 VanDerWaalsContact C-N 3.35Å; V984-S986 PolarHBondContact O-N 3.39Å; V984-M987 HydrophobicContact CB-CE 4.47Å; V984-M987 HydrophobicContact CG1-CE 4.36Å; V984-M987 HydrophobicContact CG2-CE 4.32Å; V984-M987 VanDerWaalsContact O-CG 3.26Å; V984-M987 WeakPolarHBondContact O-CG 3.39Å; V984-M987 PolarHBondContact O-N 2.85Å; V984-M987 VanDerWaalsContact O-N 3.14Å; V984-V1010 HydrophobicContact CG1-CG2 3.83Å; V984-V1010 WeakPolarHBondContact O-CG1 3.4Å; V984-M1013 HydrophobicContact CG1-CE 3.63Å |
| 985 | I | 86.1 | Confident | 82.9 | Confident | 46 Ų | 46 | 61 Ų | 61 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62 | -26.7 | 177.3 | -73 | 163.1 | 0 | 0 | 0 | 111.8 | L981 G982 M1013 R1014 V1017 | L981-I985 WeakPolarHBondContact O-CB 3.46Å; L981-I985 WeakPolarHBondContact O-CD1 3.5Å; L981-I985 WeakPolarHBondContact O-CG1 3.19Å; L981-I985 PolarHBondContact O-N 2.64Å; G982-I985 PolarHBondContact O-N 3.04Å; I985-M1013 HydrophobicContact CD1-CB 4.28Å; I985-M1013 HydrophobicContact CG1-CB 3.88Å; I985-M1013 HydrophobicContact CG1-CE 4.48Å; I985-M1013 HydrophobicContact CG1-SD 4.43Å; I985-R1014 HydrophobicContact CG2-CG 3.96Å; I985-R1014 PolarHBondContact O-NE 3.34Å; I985-R1014 PolarHBondContact O-NH2 3.02Å; I985-V1017 HydrophobicContact CD1-CG2 4.21Å |
| 986 | S | 81.3 | Confident | 82.3 | Confident | 78 Ų | 78 | 58.4 Ų | 58.4 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -86.3 | -8.5 | 177.8 | 71 | 0 | 0 | 0 | 0 | 114.9 | G982 H983 V984 | G982-S986 PolarHBondContact O-N 3.04Å; H983-S986 PolarHBondContact O-N 3.21Å; H983-S986 PolarHBondContact O-OG 2.66Å; V984-S986 PolarHBondContact O-N 3.39Å |
| 987 | M | 85.4 | Confident | 82.2 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | trans | -69.4 | 146.9 | -170.1 | 83.4 | 170.2 | 36.6 | 0 | 0 | 115.4 | F973 F978 H983 V984 D991 I992 L995 I1006 V1010 R1014 | F973-M987 HydrophobicContact CD1-CE 4.09Å; F973-M987 HydrophobicContact CE1-CE 3.4Å; F973-M987 HydrophobicContact CE1-SD 4.23Å; F973-M987 HydrophobicContact CZ-CE 4.05Å; F973-M987 HydrophobicContact CZ-SD 4.44Å; F978-M987 HydrophobicContact CD1-CB 4.47Å; F978-M987 HydrophobicContact CD1-CE 3.54Å; F978-M987 HydrophobicContact CD2-CE 4.29Å; F978-M987 HydrophobicContact CE1-CB 3.68Å; F978-M987 HydrophobicContact CE1-CE 3.67Å; F978-M987 HydrophobicContact CE2-CE 4.37Å; F978-M987 HydrophobicContact CG-CE 3.88Å; F978-M987 HydrophobicContact CZ-CB 4.12Å; F978-M987 HydrophobicContact CZ-CE 4.09Å; H983-M987 PolarHBondContact O-N 3.05Å; V984-M987 HydrophobicContact CB-CE 4.47Å; V984-M987 HydrophobicContact CG1-CE 4.36Å; V984-M987 HydrophobicContact CG2-CE 4.32Å; V984-M987 VanDerWaalsContact O-CG 3.26Å; V984-M987 WeakPolarHBondContact O-CG 3.39Å; V984-M987 PolarHBondContact O-N 2.85Å; V984-M987 VanDerWaalsContact O-N 3.14Å; M987-D991 HydrophobicContact CB-CB 4.35Å; M987-I992 HydrophobicContact SD-CD1 4.09Å; M987-I992 HydrophobicContact SD-CG1 3.67Å; M987-L995 HydrophobicContact CE-CD1 4.43Å; M987-I1006 HydrophobicContact SD-CG2 4.13Å; M987-V1010 HydrophobicContact CG-CG1 4.14Å; M987-V1010 HydrophobicContact CG-CG2 3.85Å; M987-V1010 HydrophobicContact SD-CG2 3.93Å; M987-R1014 PolarHBondContact O-NH2 3.2Å | ||
| 988 | K | 84.8 | Confident | 81.4 | Confident | 153 Ų | 153 | 60.7 Ų | 60.7 | 67% | 0.665 | 33% | 0.329 | S | S | * | . | trans | -109.3 | 165.1 | 179.4 | -61.6 | 178 | -176.9 | 176.1 | 0 | 110.7 | G990 D991 M1007 | K988-G990 VanDerWaalsContact C-N 3.26Å; K988-G990 PolarHBondContact O-N 3.02Å; K988-D991 PolarHBondContact N-OD2 2.95Å; K988-D991 VanDerWaalsContact O-CB 3.32Å; K988-D991 WeakPolarHBondContact O-CB 3.42Å; K988-D991 PolarHBondContact O-N 3.33Å; K988-M1007 VanDerWaalsContact C-CE 3.43Å | ||
| 989 | Q | 78.9 | Confident | 80.1 | Confident | 73 Ų | 73 | 62.8 Ų | 62.8 | 34% | 0.341 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.6 | -38.3 | -175.5 | -170.8 | 64.9 | 28.4 | 0 | 0 | 113.1 | D991 I992 Q993 M1007 | Q989-D991 PolarHBondContact O-N 3.21Å; Q989-I992 PolarHBondContact O-N 3.14Å; Q989-Q993 PolarHBondContact O-N 3.37Å; Q989-M1007 HydrophobicContact CB-CE 4.27Å; Q989-M1007 VanDerWaalsContact N-CE 3.33Å |
| 990 | G | 73.8 | Confident | 79 | Confident | 34 Ų | 34 | 62.9 Ų | 62.9 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.7 | -16 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K988 R994 | K988-G990 VanDerWaalsContact C-N 3.26Å; K988-G990 PolarHBondContact O-N 3.02Å; G990-R994 WeakPolarHBondContact O-CG 3.07Å; G990-R994 PolarHBondContact O-N 3.5Å; G990-R994 PolarHBondContact O-NE 3.46Å |
| 991 | D | 85.2 | Confident | 77.3 | Confident | 27 Ų | 27 | 61.8 Ų | 61.8 | 14% | 0.144 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -74.2 | -46.7 | 175.1 | -56.6 | -30.6 | 0 | 0 | 0 | 109.6 | F978 M987 K988 Q989 Q993 R994 L995 | F978-D991 HydrophobicContact CE2-CB 4.42Å; F978-D991 HydrophobicContact CZ-CB 3.95Å; M987-D991 HydrophobicContact CB-CB 4.35Å; K988-D991 PolarHBondContact N-OD2 2.95Å; K988-D991 VanDerWaalsContact O-CB 3.32Å; K988-D991 WeakPolarHBondContact O-CB 3.42Å; K988-D991 PolarHBondContact O-N 3.33Å; Q989-D991 PolarHBondContact O-N 3.21Å; D991-Q993 PolarHBondContact O-N 3.45Å; D991-R994 CarbonylContact O-C 3.47Å; D991-R994 WeakPolarHBondContact O-CA 3.47Å; D991-R994 WeakPolarHBondContact O-CB 3.42Å; D991-R994 PolarHBondContact O-N 3.02Å; D991-R994 IonicContact OD1-CZ 3.68Å; D991-R994 IonicContact OD1-NE 3.39Å; D991-R994 IonicContact OD1-NH2 2.94Å; D991-R994 PolarHBondContact OD1-NH2 2.99Å; D991-L995 WeakPolarHBondContact O-CG 3.32Å; D991-L995 PolarHBondContact O-N 3.5Å |
| 992 | I | 84.1 | Confident | 77 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.8 | -36.3 | 177.7 | -49.6 | 178.9 | 0 | 0 | 0 | 111.6 | M987 Q989 L995 V997 Q1003 I1006 M1007 | M987-I992 HydrophobicContact SD-CD1 4.09Å; M987-I992 HydrophobicContact SD-CG1 3.67Å; Q989-I992 PolarHBondContact O-N 3.14Å; I992-L995 PolarHBondContact O-N 3.45Å; I992-V997 HydrophobicContact CG2-CB 3.82Å; I992-V997 HydrophobicContact CG2-CG1 4.16Å; I992-V997 HydrophobicContact CG2-CG2 3.85Å; I992-V997 WeakPolarHBondContact O-CB 3.4Å; I992-V997 PolarHBondContact O-N 2.79Å; I992-Q1003 HydrophobicContact CG2-CB 4.24Å; I992-Q1003 HydrophobicContact CG2-CG 4.09Å; I992-I1006 HydrophobicContact CD1-CB 4.07Å; I992-I1006 HydrophobicContact CD1-CG2 3.55Å; I992-I1006 HydrophobicContact CG1-CG2 4.1Å; I992-I1006 HydrophobicContact CG2-CD1 4.21Å; I992-I1006 HydrophobicContact CG2-CG2 4.3Å; I992-M1007 HydrophobicContact CD1-CB 3.91Å; I992-M1007 HydrophobicContact CD1-CE 3.71Å; I992-M1007 HydrophobicContact CG1-CE 4.45Å |
| 993 | Q | 77 | Confident | 76.8 | Confident | 105 Ų | 105 | 60.2 Ų | 60.2 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 174.7 | -68.9 | 178 | -9.5 | 0 | 0 | 112.2 | Q989 D991 L995 G996 Q1003 | Q989-Q993 PolarHBondContact O-N 3.37Å; D991-Q993 PolarHBondContact O-N 3.45Å; Q993-L995 VanDerWaalsContact C-N 3.26Å; Q993-L995 PolarHBondContact O-N 3.09Å; Q993-G996 PolarHBondContact O-N 3.23Å; Q993-G996 VanDerWaalsContact O-N 3.14Å; Q993-Q1003 VanDerWaalsContact NE2-OE1 3.09Å |
| 994 | R | 81.2 | Confident | 75.9 | Confident | 201 Ų | 201 | 61.2 Ų | 61.2 | 76% | 0.758 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68 | -22.8 | 174.8 | -71.4 | -173.6 | -70.2 | 174.4 | 0.3 | 113.6 | G990 D991 G996 | G990-R994 WeakPolarHBondContact O-CG 3.07Å; G990-R994 PolarHBondContact O-N 3.5Å; G990-R994 PolarHBondContact O-NE 3.46Å; D991-R994 CarbonylContact O-C 3.47Å; D991-R994 WeakPolarHBondContact O-CA 3.47Å; D991-R994 WeakPolarHBondContact O-CB 3.42Å; D991-R994 PolarHBondContact O-N 3.02Å; D991-R994 IonicContact OD1-CZ 3.68Å; D991-R994 IonicContact OD1-NE 3.39Å; D991-R994 IonicContact OD1-NH2 2.94Å; D991-R994 PolarHBondContact OD1-NH2 2.99Å; R994-G996 PolarHBondContact O-N 3.04Å |
| 995 | L | 85.6 | Confident | 75.2 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 1.5 | 171.4 | -59.7 | 174.8 | 0 | 0 | 0 | 113.6 | H972 F973 F978 M987 D991 I992 Q993 V997 | H972-L995 WeakPolarHBondContact CB-O 3.48Å; H972-L995 PolarHBondContact ND1-O 3.24Å; H972-L995 WeakPolarHBondContact O-CD2 3.39Å; F973-L995 HydrophobicContact CD1-CD1 4.27Å; F973-L995 HydrophobicContact CD2-CD1 3.7Å; F973-L995 HydrophobicContact CE1-CD1 4.16Å; F973-L995 HydrophobicContact CE2-CD1 3.58Å; F973-L995 HydrophobicContact CG-CD1 4.05Å; F973-L995 HydrophobicContact CZ-CD1 3.81Å; F978-L995 HydrophobicContact CD2-CD1 3.91Å; F978-L995 HydrophobicContact CD2-CD2 3.86Å; F978-L995 HydrophobicContact CD2-CG 4.44Å; F978-L995 HydrophobicContact CE2-CD1 4.02Å; F978-L995 HydrophobicContact CE2-CD2 3.96Å; F978-L995 HydrophobicContact CE2-CG 4.33Å; M987-L995 HydrophobicContact CE-CD1 4.43Å; D991-L995 WeakPolarHBondContact O-CG 3.32Å; D991-L995 PolarHBondContact O-N 3.5Å; I992-L995 PolarHBondContact O-N 3.45Å; Q993-L995 VanDerWaalsContact C-N 3.26Å; Q993-L995 PolarHBondContact O-N 3.09Å; L995-V997 VanDerWaalsContact C-N 3.34Å; L995-V997 HydrophobicContact CB-CG2 4.32Å |
| 996 | G | 70.6 | Confident | 75 | Confident | 38 Ų | 38 | 63.3 Ų | 63.3 | 39% | 0.392 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 12.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q993 R994 T998 | Q993-G996 PolarHBondContact O-N 3.23Å; Q993-G996 VanDerWaalsContact O-N 3.14Å; R994-G996 PolarHBondContact O-N 3.04Å; G996-T998 VanDerWaalsContact C-N 3.31Å; G996-T998 PolarHBondContact O-N 3.37Å |
| 997 | V | 80.2 | Confident | 75.1 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | trans | -77.1 | 81.1 | 174.8 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | Y969 I992 L995 L999 H1002 Q1003 I1006 | Y969-V997 HydrophobicContact CD1-CG2 3.85Å; Y969-V997 HydrophobicContact CE1-CB 4.34Å; Y969-V997 HydrophobicContact CE1-CG1 4.22Å; Y969-V997 HydrophobicContact CE1-CG2 3.95Å; Y969-V997 HydrophobicContact CE2-CG1 4.09Å; Y969-V997 HydrophobicContact CG-CG2 4.14Å; I992-V997 HydrophobicContact CG2-CB 3.82Å; I992-V997 HydrophobicContact CG2-CG1 4.16Å; I992-V997 HydrophobicContact CG2-CG2 3.85Å; I992-V997 WeakPolarHBondContact O-CB 3.4Å; I992-V997 PolarHBondContact O-N 2.79Å; L995-V997 VanDerWaalsContact C-N 3.34Å; L995-V997 HydrophobicContact CB-CG2 4.32Å; V997-L999 VanDerWaalsContact C-N 3.31Å; V997-L999 PolarHBondContact O-N 2.78Å; V997-H1002 HydrophobicContact CG1-CB 3.73Å; V997-Q1003 HydrophobicContact CB-CG 4.28Å; V997-Q1003 HydrophobicContact CG1-CG 3.92Å; V997-Q1003 WeakPolarHBondContact O-CG 3.44Å; V997-Q1003 PolarHBondContact O-NE2 3.5Å; V997-I1006 HydrophobicContact CG1-CD1 4.23Å; V997-I1006 HydrophobicContact CG2-CD1 4.3Å | ||
| 998 | T | 68.1 | Low | 74.7 | Confident | 117 Ų | 117 | 63 Ų | 63 | 72% | 0.718 | 33% | 0.328 | S | S | * | . | trans | -70.1 | -23.8 | -176.2 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | G996 M1000 | G996-T998 VanDerWaalsContact C-N 3.31Å; G996-T998 PolarHBondContact O-N 3.37Å; T998-M1000 PolarHBondContact O-N 2.91Å | ||
| 999 | L | 60.8 | Low | 74.6 | Confident | 71 Ų | 71 | 55.9 Ų | 55.9 | 37% | 0.372 | 30% | 0.297 | S | S | . | . | trans | -84.4 | 112.9 | -174.6 | -68.5 | 169.8 | 0 | 0 | 0 | 111.8 | V997 G1001 H1002 Q1003 | V997-L999 VanDerWaalsContact C-N 3.31Å; V997-L999 PolarHBondContact O-N 2.78Å; L999-G1001 VanDerWaalsContact C-N 3.29Å; L999-G1001 PolarHBondContact O-N 3.22Å; L999-H1002 WeakPolarHBondContact CB-ND1 3.46Å; L999-H1002 WeakPolarHBondContact CD1-CE1 3.44Å; L999-H1002 PolarHBondContact O-N 2.71Å; L999-Q1003 PolarHBondContact O-N 3.45Å | ||
| 1000 | M | 59.2 | Low | 74.9 | Confident | 129 Ų | 129 | 52.4 Ų | 52.4 | 64% | 0.635 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -52.4 | -40.2 | -176.7 | -72 | -62.6 | -68.5 | 0 | 0 | 114 | T998 H1002 Q1003 K1004 | T998-M1000 PolarHBondContact O-N 2.91Å; M1000-H1002 VanDerWaalsContact C-N 3.32Å; M1000-H1002 PolarHBondContact O-N 2.97Å; M1000-Q1003 PolarHBondContact O-N 3.09Å; M1000-K1004 WeakPolarHBondContact O-CB 3.35Å; M1000-K1004 PolarHBondContact O-N 3.24Å |
| 1001 | G | 48.5 | Very low | 75.2 | Confident | 43 Ų | 43 | 55.7 Ų | 55.7 | 44% | 0.443 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.8 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.3 | L999 K1005 | L999-G1001 VanDerWaalsContact C-N 3.29Å; L999-G1001 PolarHBondContact O-N 3.22Å; G1001-K1005 WeakPolarHBondContact O-CB 3.46Å; G1001-K1005 PolarHBondContact O-N 2.74Å |
| 1002 | H | 77.6 | Confident | 74.8 | Confident | 35 Ų | 35 | 58.1 Ų | 58.1 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.5 | -40.4 | 175.2 | -55.4 | 149.4 | 0 | 0 | 0 | 111.4 | M966 R968 Y969 V997 L999 M1000 K1004 K1005 I1006 | M966-H1002 HydrophobicContact SD-CB 3.7Å; R968-H1002 PolarHBondContact NH1-CE1 3.03Å; R968-H1002 PolarHBondContact NH2-CE1 2.85Å; R968-H1002 PolarHBondContact NH2-NE2 3.5Å; R968-H1002 VanDerWaalsContact NH2-NE2 3.18Å; Y969-H1002 HydrophobicContact CE2-CB 3.91Å; Y969-H1002 AromaticContact CE2-CG 3.97Å; Y969-H1002 AromaticContact CE2-ND1 3.77Å; Y969-H1002 AromaticContact CZ-ND1 3.78Å; Y969-H1002 PolarHBondContact OH-ND1 3.46Å; V997-H1002 HydrophobicContact CG1-CB 3.73Å; L999-H1002 WeakPolarHBondContact CB-ND1 3.46Å; L999-H1002 WeakPolarHBondContact CD1-CE1 3.44Å; L999-H1002 PolarHBondContact O-N 2.71Å; M1000-H1002 VanDerWaalsContact C-N 3.32Å; M1000-H1002 PolarHBondContact O-N 2.97Å; H1002-K1004 VanDerWaalsContact C-N 3.27Å; H1002-K1004 PolarHBondContact O-N 3.19Å; H1002-K1005 PolarHBondContact O-N 2.79Å; H1002-I1006 WeakPolarHBondContact O-CB 3.46Å; H1002-I1006 VanDerWaalsContact O-CG1 3.25Å; H1002-I1006 WeakPolarHBondContact O-CG1 3.24Å; H1002-I1006 PolarHBondContact O-N 3.31Å |
| 1003 | Q | 74.7 | Confident | 74.6 | Confident | 9 Ų | 9 | 58.5 Ų | 58.5 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.4 | -45.5 | 174.3 | -62.1 | -179.1 | 22.7 | 0 | 0 | 111.3 | I992 Q993 V997 L999 M1000 M1007 | I992-Q1003 HydrophobicContact CG2-CB 4.24Å; I992-Q1003 HydrophobicContact CG2-CG 4.09Å; Q993-Q1003 VanDerWaalsContact NE2-OE1 3.09Å; V997-Q1003 HydrophobicContact CB-CG 4.28Å; V997-Q1003 HydrophobicContact CG1-CG 3.92Å; V997-Q1003 WeakPolarHBondContact O-CG 3.44Å; V997-Q1003 PolarHBondContact O-NE2 3.5Å; L999-Q1003 PolarHBondContact O-N 3.45Å; M1000-Q1003 PolarHBondContact O-N 3.09Å; Q1003-M1007 WeakPolarHBondContact O-CB 3.26Å; Q1003-M1007 PolarHBondContact O-N 3.07Å |
| 1004 | K | 64 | Low | 74.8 | Confident | 111 Ų | 111 | 57.2 Ų | 57.2 | 48% | 0.483 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 178.3 | -161.7 | 171.7 | -173.5 | -179.9 | 0 | 111.4 | M888 M1000 H1002 I1006 M1007 T1008 | M888-K1004 HydrophobicContact CE-CD 3.94Å; M888-K1004 HydrophobicContact CE-CG 4.32Å; M888-K1004 HydrophobicContact CG-CD 4.38Å; M1000-K1004 WeakPolarHBondContact O-CB 3.35Å; M1000-K1004 PolarHBondContact O-N 3.24Å; H1002-K1004 VanDerWaalsContact C-N 3.27Å; H1002-K1004 PolarHBondContact O-N 3.19Å; K1004-I1006 PolarHBondContact O-N 3.19Å; K1004-M1007 PolarHBondContact O-N 3.26Å; K1004-T1008 WeakPolarHBondContact O-CB 3.44Å; K1004-T1008 PolarHBondContact O-N 2.95Å; K1004-T1008 PolarHBondContact O-OG1 3.05Å; K1004-T1008 VanDerWaalsContact O-OG1 3.07Å |
| 1005 | K | 72.4 | Confident | 74.3 | Confident | 90 Ų | 90 | 50 Ų | 50 | 39% | 0.391 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 179 | -164.5 | -177.2 | -165.8 | -170.8 | 0 | 113 | I964 M966 G1001 H1002 S1009 | I964-K1005 WeakPolarHBondContact O-CE 3.37Å; I964-K1005 PolarHBondContact O-NZ 3.45Å; M966-K1005 HydrophobicContact CE-CD 3.96Å; M966-K1005 HydrophobicContact CG-CD 4.26Å; M966-K1005 HydrophobicContact SD-CD 4.11Å; G1001-K1005 WeakPolarHBondContact O-CB 3.46Å; G1001-K1005 PolarHBondContact O-N 2.74Å; H1002-K1005 PolarHBondContact O-N 2.79Å; K1005-S1009 PolarHBondContact O-N 2.96Å; K1005-S1009 VanDerWaalsContact O-N 3.15Å |
| 1006 | I | 81.9 | Confident | 73.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -51.7 | 175.3 | -70 | 168.7 | 0 | 0 | 0 | 109.6 | W960 I964 M966 Y969 F973 M987 I992 V997 H1002 K1004 T1008 S1009 V1010 | W960-I1006 HydrophobicContact CH2-CG2 4.02Å; I964-I1006 HydrophobicContact CD1-CG1 4.1Å; M966-I1006 HydrophobicContact CB-CG1 4.42Å; M966-I1006 HydrophobicContact CG-CD1 4.46Å; M966-I1006 HydrophobicContact CG-CG1 3.95Å; M966-I1006 HydrophobicContact SD-CD1 4.45Å; M966-I1006 HydrophobicContact SD-CG1 4.28Å; Y969-I1006 HydrophobicContact CD2-CD1 4.22Å; F973-I1006 HydrophobicContact CE1-CG2 4.46Å; F973-I1006 HydrophobicContact CE2-CD1 4.17Å; F973-I1006 HydrophobicContact CZ-CD1 4.11Å; F973-I1006 HydrophobicContact CZ-CG2 3.77Å; M987-I1006 HydrophobicContact SD-CG2 4.13Å; I992-I1006 HydrophobicContact CD1-CB 4.07Å; I992-I1006 HydrophobicContact CD1-CG2 3.55Å; I992-I1006 HydrophobicContact CG1-CG2 4.1Å; I992-I1006 HydrophobicContact CG2-CD1 4.21Å; I992-I1006 HydrophobicContact CG2-CG2 4.3Å; V997-I1006 HydrophobicContact CG1-CD1 4.23Å; V997-I1006 HydrophobicContact CG2-CD1 4.3Å; H1002-I1006 WeakPolarHBondContact O-CB 3.46Å; H1002-I1006 VanDerWaalsContact O-CG1 3.25Å; H1002-I1006 WeakPolarHBondContact O-CG1 3.24Å; H1002-I1006 PolarHBondContact O-N 3.31Å; K1004-I1006 PolarHBondContact O-N 3.19Å; I1006-T1008 PolarHBondContact O-N 3.09Å; I1006-S1009 PolarHBondContact O-N 2.99Å; I1006-V1010 WeakPolarHBondContact O-CG2 3.35Å; I1006-V1010 PolarHBondContact O-N 3.2Å |
| 1007 | M | 83.4 | Confident | 73.4 | Confident | 16 Ų | 16 | 54.4 Ų | 54.4 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | -179.4 | -176.7 | 54.1 | 65 | 0 | 0 | 113.1 | K988 Q989 I992 Q1003 K1004 S1009 V1010 Q1011 | K988-M1007 VanDerWaalsContact C-CE 3.43Å; Q989-M1007 HydrophobicContact CB-CE 4.27Å; Q989-M1007 VanDerWaalsContact N-CE 3.33Å; I992-M1007 HydrophobicContact CD1-CB 3.91Å; I992-M1007 HydrophobicContact CD1-CE 3.71Å; I992-M1007 HydrophobicContact CG1-CE 4.45Å; Q1003-M1007 WeakPolarHBondContact O-CB 3.26Å; Q1003-M1007 PolarHBondContact O-N 3.07Å; K1004-M1007 PolarHBondContact O-N 3.26Å; M1007-S1009 VanDerWaalsContact C-N 3.32Å; M1007-S1009 PolarHBondContact O-N 2.68Å; M1007-V1010 WeakPolarHBondContact O-CB 3.34Å; M1007-V1010 PolarHBondContact O-N 3.22Å; M1007-V1010 HydrophobicContact SD-CB 4.42Å; M1007-V1010 HydrophobicContact SD-CG1 4.43Å; M1007-Q1011 WeakPolarHBondContact O-CG 3.48Å; M1007-Q1011 PolarHBondContact O-N 3.28Å; M1007-Q1011 HydrophobicContact SD-CG 4.39Å |
| 1008 | T | 77.3 | Confident | 72.3 | Confident | 55 Ų | 55 | 59.7 Ų | 59.7 | 34% | 0.337 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 175.9 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | K1004 I1006 Q1011 L1012 | K1004-T1008 WeakPolarHBondContact O-CB 3.44Å; K1004-T1008 PolarHBondContact O-N 2.95Å; K1004-T1008 PolarHBondContact O-OG1 3.05Å; K1004-T1008 VanDerWaalsContact O-OG1 3.07Å; I1006-T1008 PolarHBondContact O-N 3.09Å; T1008-Q1011 PolarHBondContact O-N 3.35Å; T1008-L1012 HydrophobicContact CG2-CD1 4.33Å; T1008-L1012 WeakPolarHBondContact O-CG 3.44Å; T1008-L1012 PolarHBondContact O-N 3.26Å |
| 1009 | S | 81.9 | Confident | 71.6 | Confident | 4 Ų | 4 | 60.9 Ų | 60.9 | 3% | 0.028 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.8 | -38 | 173.3 | -175.1 | 0 | 0 | 0 | 0 | 112.7 | F951 W960 I964 K1005 I1006 M1007 Q1011 L1012 M1013 | F951-S1009 WeakPolarHBondContact CZ-OG 3.45Å; W960-S1009 PolarHBondContact NE1-OG 3.48Å; I964-S1009 WeakPolarHBondContact CG2-OG 3.42Å; K1005-S1009 PolarHBondContact O-N 2.96Å; K1005-S1009 VanDerWaalsContact O-N 3.15Å; I1006-S1009 PolarHBondContact O-N 2.99Å; M1007-S1009 VanDerWaalsContact C-N 3.32Å; M1007-S1009 PolarHBondContact O-N 2.68Å; S1009-Q1011 VanDerWaalsContact C-N 3.3Å; S1009-Q1011 PolarHBondContact O-N 3.09Å; S1009-L1012 PolarHBondContact O-N 2.77Å; S1009-M1013 WeakPolarHBondContact O-CG 3.28Å; S1009-M1013 PolarHBondContact O-N 3.48Å |
| 1010 | V | 85.5 | Confident | 71.2 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 171.4 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | W960 V984 M987 I1006 M1007 M1013 R1014 | W960-V1010 HydrophobicContact CH2-CG2 4.21Å; W960-V1010 HydrophobicContact CZ2-CG2 4.05Å; V984-V1010 HydrophobicContact CG1-CG2 3.83Å; V984-V1010 WeakPolarHBondContact O-CG1 3.4Å; M987-V1010 HydrophobicContact CG-CG1 4.14Å; M987-V1010 HydrophobicContact CG-CG2 3.85Å; M987-V1010 HydrophobicContact SD-CG2 3.93Å; I1006-V1010 WeakPolarHBondContact O-CG2 3.35Å; I1006-V1010 PolarHBondContact O-N 3.2Å; M1007-V1010 WeakPolarHBondContact O-CB 3.34Å; M1007-V1010 PolarHBondContact O-N 3.22Å; M1007-V1010 HydrophobicContact SD-CB 4.42Å; M1007-V1010 HydrophobicContact SD-CG1 4.43Å; V1010-M1013 HydrophobicContact CG2-CE 4.24Å; V1010-M1013 PolarHBondContact O-N 3.42Å; V1010-R1014 WeakPolarHBondContact O-CG 3.32Å; V1010-R1014 PolarHBondContact O-N 2.79Å |
| 1011 | Q | 79.3 | Confident | 70.5 | Confident | 104 Ų | 104 | 62.7 Ų | 62.7 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 175.4 | -71.7 | 169.2 | -17.4 | 0 | 0 | 112.5 | M1007 T1008 S1009 R1014 A1015 | M1007-Q1011 WeakPolarHBondContact O-CG 3.48Å; M1007-Q1011 PolarHBondContact O-N 3.28Å; M1007-Q1011 HydrophobicContact SD-CG 4.39Å; T1008-Q1011 PolarHBondContact O-N 3.35Å; S1009-Q1011 VanDerWaalsContact C-N 3.3Å; S1009-Q1011 PolarHBondContact O-N 3.09Å; Q1011-R1014 WeakPolarHBondContact O-CB 3.5Å; Q1011-R1014 PolarHBondContact O-N 2.96Å; Q1011-A1015 PolarHBondContact O-N 3.31Å |
| 1012 | L | 77.6 | Confident | 69.9 | Low | 78 Ų | 78 | 66.2 Ų | 66.2 | 41% | 0.408 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 174 | -76.2 | 162.6 | 0 | 0 | 0 | 111.9 | F951 T1008 S1009 R1014 A1015 Q1016 | F951-L1012 HydrophobicContact CD2-CB 4.47Å; F951-L1012 HydrophobicContact CE2-CB 4.08Å; F951-L1012 HydrophobicContact CE2-CD1 4.31Å; T1008-L1012 HydrophobicContact CG2-CD1 4.33Å; T1008-L1012 WeakPolarHBondContact O-CG 3.44Å; T1008-L1012 PolarHBondContact O-N 3.26Å; S1009-L1012 PolarHBondContact O-N 2.77Å; L1012-R1014 VanDerWaalsContact C-N 3.34Å; L1012-R1014 PolarHBondContact O-N 3.39Å; L1012-A1015 PolarHBondContact O-N 2.76Å; L1012-Q1016 WeakPolarHBondContact O-CG 3.38Å; L1012-Q1016 PolarHBondContact O-N 3.09Å |
| 1013 | M | 79.2 | Confident | 68 | Low | 8 Ų | 8 | 69.7 Ų | 69.7 | 4% | 0.039 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 174.9 | -71.1 | -173 | -69.4 | 0 | 0 | 112.1 | F951 W960 L981 V984 I985 S1009 V1010 A1015 Q1016 V1017 | F951-M1013 HydrophobicContact CB-CG 3.67Å; F951-M1013 HydrophobicContact CB-SD 4.16Å; F951-M1013 HydrophobicContact CD2-CG 4.04Å; F951-M1013 HydrophobicContact CG-CG 3.88Å; F951-M1013 HydrophobicContact CG-SD 4.47Å; W960-M1013 HydrophobicContact CD2-CE 4.15Å; W960-M1013 VanDerWaalsContact CE2-CE 3.43Å; W960-M1013 HydrophobicContact CG-CE 4.45Å; W960-M1013 HydrophobicContact CG-SD 4.44Å; W960-M1013 HydrophobicContact CZ2-CE 3.67Å; W960-M1013 VanDerWaalsContact NE1-CE 3.31Å; L981-M1013 HydrophobicContact CD2-SD 4.37Å; V984-M1013 HydrophobicContact CG1-CE 3.63Å; I985-M1013 HydrophobicContact CD1-CB 4.28Å; I985-M1013 HydrophobicContact CG1-CB 3.88Å; I985-M1013 HydrophobicContact CG1-CE 4.48Å; I985-M1013 HydrophobicContact CG1-SD 4.43Å; S1009-M1013 WeakPolarHBondContact O-CG 3.28Å; S1009-M1013 PolarHBondContact O-N 3.48Å; V1010-M1013 HydrophobicContact CG2-CE 4.24Å; V1010-M1013 PolarHBondContact O-N 3.42Å; M1013-A1015 PolarHBondContact O-N 2.92Å; M1013-Q1016 PolarHBondContact O-N 3.26Å; M1013-V1017 WeakPolarHBondContact O-CG2 3.5Å; M1013-V1017 PolarHBondContact O-N 2.77Å |
| 1014 | R | 83.1 | Confident | 66.1 | Low | 78 Ų | 78 | 74.4 Ų | 74.4 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59 | -46.5 | 172.9 | -74.1 | 170.8 | 179.6 | 155.6 | 8.1 | 112.2 | I985 M987 V1010 Q1011 L1012 Q1016 V1017 L1018 | I985-R1014 HydrophobicContact CG2-CG 3.96Å; I985-R1014 PolarHBondContact O-NE 3.34Å; I985-R1014 PolarHBondContact O-NH2 3.02Å; M987-R1014 PolarHBondContact O-NH2 3.2Å; V1010-R1014 WeakPolarHBondContact O-CG 3.32Å; V1010-R1014 PolarHBondContact O-N 2.79Å; Q1011-R1014 WeakPolarHBondContact O-CB 3.5Å; Q1011-R1014 PolarHBondContact O-N 2.96Å; L1012-R1014 VanDerWaalsContact C-N 3.34Å; L1012-R1014 PolarHBondContact O-N 3.39Å; R1014-Q1016 PolarHBondContact O-N 3.36Å; R1014-V1017 PolarHBondContact O-N 3.11Å; R1014-L1018 WeakPolarHBondContact O-CB 3.5Å; R1014-L1018 PolarHBondContact O-N 3.47Å |
| 1015 | A | 70.7 | Confident | 64.6 | Low | 49 Ų | 49 | 75.3 Ų | 75.3 | 41% | 0.405 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1011 L1012 M1013 L1018 N1019 | Q1011-A1015 PolarHBondContact O-N 3.31Å; L1012-A1015 PolarHBondContact O-N 2.76Å; M1013-A1015 PolarHBondContact O-N 2.92Å; A1015-L1018 PolarHBondContact O-N 2.66Å; A1015-N1019 PolarHBondContact O-N 3.42Å; A1015-N1019 VanDerWaalsContact O-N 3.09Å |
| 1016 | Q | 69.5 | Low | 62.7 | Low | 61 Ų | 61 | 79.3 Ų | 79.3 | 29% | 0.285 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.2 | -34.8 | 176.3 | -72.3 | 175.3 | -12.4 | 0 | 0 | 113 | L1012 M1013 R1014 | L1012-Q1016 WeakPolarHBondContact O-CG 3.38Å; L1012-Q1016 PolarHBondContact O-N 3.09Å; M1013-Q1016 PolarHBondContact O-N 3.26Å; R1014-Q1016 PolarHBondContact O-N 3.36Å |
| 1017 | V | 66.9 | Low | 60.4 | Low | 83 Ų | 83 | 89.4 Ų | 89.4 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72.1 | -44 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | I985 M1013 R1014 N1019 K1020 | I985-V1017 HydrophobicContact CD1-CG2 4.21Å; M1013-V1017 WeakPolarHBondContact O-CG2 3.5Å; M1013-V1017 PolarHBondContact O-N 2.77Å; R1014-V1017 PolarHBondContact O-N 3.11Å; V1017-N1019 VanDerWaalsContact C-N 3.32Å; V1017-N1019 PolarHBondContact O-N 3.28Å; V1017-K1020 PolarHBondContact O-N 3.05Å; V1017-K1020 VanDerWaalsContact O-N 3.09Å |
| 1018 | L | 56.8 | Low | 59.3 | Low | 113 Ų | 113 | 93.1 Ų | 93.1 | 59% | 0.592 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.4 | -42.3 | 177 | -83.9 | 157.2 | 0 | 0 | 0 | 112 | R1014 A1015 K1020 S1021 | R1014-L1018 WeakPolarHBondContact O-CB 3.5Å; R1014-L1018 PolarHBondContact O-N 3.47Å; A1015-L1018 PolarHBondContact O-N 2.66Å; L1018-K1020 PolarHBondContact O-N 3.13Å; L1018-S1021 PolarHBondContact O-N 3.09Å; L1018-S1021 VanDerWaalsContact O-N 3.09Å; L1018-S1021 PolarHBondContact O-OG 3.14Å |
| 1019 | N | 52.8 | Low | 58.3 | Low | 142 Ų | 142 | 95.1 Ų | 95.1 | 76% | 0.759 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -14.5 | 177.5 | -79 | -4.1 | 0 | 0 | 0 | 114.7 | A1015 V1017 | A1015-N1019 PolarHBondContact O-N 3.42Å; A1015-N1019 VanDerWaalsContact O-N 3.09Å; V1017-N1019 VanDerWaalsContact C-N 3.32Å; V1017-N1019 PolarHBondContact O-N 3.28Å |
| 1020 | K | 53.2 | Low | 57 | Low | 158 Ų | 158 | 100.1 Ų | 100.1 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -4 | 173.7 | -72.2 | -176.9 | 179.3 | 176.8 | 0 | 113.6 | S952 V1017 L1018 | S952-K1020 PolarHBondContact OG-NZ 3.39Å; V1017-K1020 PolarHBondContact O-N 3.05Å; V1017-K1020 VanDerWaalsContact O-N 3.09Å; L1018-K1020 PolarHBondContact O-N 3.13Å |
| 1021 | S | 44.1 | Very low | 55.3 | Low | 79 Ų | 79 | 106 Ų | 106 | 55% | 0.552 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -104.2 | 7.3 | -172.2 | 61.1 | 0 | 0 | 0 | 0 | 116.5 | L1018 | L1018-S1021 PolarHBondContact O-N 3.09Å; L1018-S1021 VanDerWaalsContact O-N 3.09Å; L1018-S1021 PolarHBondContact O-OG 3.14Å |
| 1022 | V | 35.7 | Very low | 53.9 | Low | 117 Ų | 117 | 106.1 Ų | 106.1 | 71% | 0.709 | 60% | 0.598 | S | S | * | * | trans | -108.2 | 110.6 | 178.5 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1023 | P | 37.5 | Very low | 52.3 | Low | 109 Ų | 109 | 108 Ų | 108 | 71% | 0.708 | 61% | 0.611 | S | S | * | * | trans | -68.5 | 132.6 | 167.7 | -14.1 | 29.2 | 0 | 0 | 0 | 110 | V1025 | P1023-V1025 PolarHBondContact O-N 3.05Š| ||
| 1024 | S | 34.8 | Very low | 50.3 | Low | 107 Ų | 107 | 115.1 Ų | 115.1 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | trans | -68.3 | 102 | 174.1 | 56 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1025 | V | 32.2 | Very low | 47.8 | Very low | 130 Ų | 130 | 118 Ų | 118 | 79% | 0.788 | 68% | 0.679 | S | S | * | * | trans | -83 | 118 | 164.1 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | P1023 | P1023-V1025 PolarHBondContact O-N 3.05Š| ||
| 1026 | H | 34.5 | Very low | 45.9 | Very low | 175 Ų | 175 | 123.8 Ų | 123.8 | 81% | 0.81 | 70% | 0.702 | S | S | * | * | trans | -72.6 | 121.6 | 170.4 | -76.3 | -7.5 | 0 | 0 | 0 | 110.9 | ||||
| 1027 | V | 33 | Very low | 43.8 | Very low | 211 Ų | 211 | 129.5 Ų | 129.5 | 100% | 1.279 | 74% | 0.74 | S | S | * | * | trans | -141.7 | 0 | 138.6 | -177.8 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 1,027 of 1,027 residues in 893.6 ms
(Link to these results)